A0A087Y8L1_POEFO Loading...

Splicing factor YJU2

Part of the spliceosome which catalyzes two sequential transesterification reactions, first the excision of the non-coding intron from pre-mRNA and then the ligation of the coding exons to form the mature mRNA. Plays a role in stabilizing the structure of the spliceosome catalytic core and docking of the branch helix into the active site, producing 5'-exon and lariat intron-3'-intermediates. May protect cells from TP53-dependent apoptosis upon dsDNA break damage through association with PRP19-CD5L complex.

AlphaFold DB , UniProt , Accession A0A087Y8L1, Species POEFO (Poecilia formosa, Amazon molly), Gene YJU2, Length 341 aa.

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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	69.9	Low	90.7	Very high	246 Å²	246	157.8 Å²	157.8	100%	1.212	74%	0.738	S	S	*	*				0	154.2	0	-66.6	-177.7	-179.9	0	0	108.2
2	S	86.8	Confident	91.2	Very high	112 Å²	112	150.1 Å²	150.1	78%	0.783	71%	0.712	S	S	*	*			trans	-69.8	151.4	169.1	44.5	0	0	0	0	111.3
3	E	93.5	Very high	91.4	Very high	108 Å²	108	147.3 Å²	147.3	51%	0.505	71%	0.714	S	S	.	*			trans	-72	153.4	177.9	59.3	-178.7	171	0	0	112.6	K5 V6 L7	E3-K5 VanDerWaalsContact C-N 3.33Å; E3-K5 PolarHBondContact O-N 3.07Å; E3-V6 HydrophobicContact CG-CB 4.32Å; E3-V6 HydrophobicContact CG-CG2 3.85Å; E3-V6 VanDerWaalsContact O-CG2 3.28Å; E3-V6 WeakPolarHBondContact O-CG2 3.43Å; E3-V6 WeakPolarHBondContact OE1-CA 3.44Å; E3-L7 PolarHBondContact OE1-N 3.32Å
4	R	91.5	Very high	91.6	Very high	250 Å²	250	146.8 Å²	146.8	94%	0.943	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-33.3	177.8	-176.6	-174.9	-71.6	-177.4	-0.3	112.5
5	K	93.5	Very high	91.7	Very high	183 Å²	183	142.9 Å²	142.9	80%	0.796	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113	67.2	-178.7	-70.2	-173	176.3	-176.5	0	109.8	E3 L7	E3-K5 VanDerWaalsContact C-N 3.33Å; E3-K5 PolarHBondContact O-N 3.07Å; K5-L7 PolarHBondContact O-N 2.91Å; K5-L7 VanDerWaalsContact O-N 3.12Å
6	V	95.1	Very high	91.8	Very high	59 Å²	59	138.6 Å²	138.6	36%	0.358	68%	0.676	S	S	.	*			trans	-58.6	115.9	178.8	-177	0	0	0	0	110.3	E3 N8 K9	E3-V6 HydrophobicContact CG-CB 4.32Å; E3-V6 HydrophobicContact CG-CG2 3.85Å; E3-V6 VanDerWaalsContact O-CG2 3.28Å; E3-V6 WeakPolarHBondContact O-CG2 3.43Å; E3-V6 WeakPolarHBondContact OE1-CA 3.44Å; V6-N8 WeakPolarHBondContact CG1-O 3.42Å; V6-K9 HydrophobicContact CG1-CG 3.89Å
7	L	93.3	Very high	91.7	Very high	151 Å²	151	136.5 Å²	136.5	79%	0.791	68%	0.675	S	S	*	*	S	Bend	trans	-65.3	-60.7	174.8	-79.1	142.2	0	0	0	110.7	E3 K5	E3-L7 PolarHBondContact OE1-N 3.32Å; K5-L7 PolarHBondContact O-N 2.91Å; K5-L7 VanDerWaalsContact O-N 3.12Å
8	N	92.8	Very high	91.6	Very high	150 Å²	150	134.3 Å²	134.3	80%	0.802	68%	0.683	S	S	*	*			trans	-114.7	127.6	-176.5	-69.4	-21.7	0	0	0	110.8	V6	V6-N8 WeakPolarHBondContact CG1-O 3.42Å
9	K	93.6	Very high	91.5	Very high	141 Å²	141	135.6 Å²	135.6	61%	0.613	68%	0.683	S	S	*	*			trans	-103.5	133.7	170.8	-63.5	171.7	-171	169.7	0	107.9	V6 Y11	V6-K9 HydrophobicContact CG1-CG 3.89Å; K9-Y11 HydrophobicContact CB-CE2 4.27Å; K9-Y11 VanDerWaalsContact O-CD2 3.26Å; K9-Y11 WeakPolarHBondContact O-CD2 3.43Å; K9-Y11 WeakPolarHBondContact O-CE2 3.36Å; K9-Y11 PolarHBondContact O-N 2.86Å
10	Y	94.1	Very high	91.4	Very high	198 Å²	198	133.3 Å²	133.3	78%	0.776	67%	0.672	S	S	*	*			trans	-68.4	124	172.6	178.3	-98.4	0	0	0	109.6	P12	Y10-P12 HydrophobicContact CE1-CB 4.42Å
11	Y	94.1	Very high	91.3	Very high	138 Å²	138	132.4 Å²	132.4	54%	0.541	68%	0.675	S	S	.	*			trans	-106.3	138.1	165.5	-61.4	-87.9	0	0	0	107.4	K9 F15	K9-Y11 HydrophobicContact CB-CE2 4.27Å; K9-Y11 VanDerWaalsContact O-CD2 3.26Å; K9-Y11 WeakPolarHBondContact O-CD2 3.43Å; K9-Y11 WeakPolarHBondContact O-CE2 3.36Å; K9-Y11 PolarHBondContact O-N 2.86Å; Y11-F15 AromaticContact CD1-CD1 3.71Å; Y11-F15 HydrophobicContact CD1-CD1 3.71Å; Y11-F15 HydrophobicContact CD1-CD2 4.21Å; Y11-F15 AromaticContact CD1-CE1 3.53Å; Y11-F15 HydrophobicContact CD1-CE1 3.53Å; Y11-F15 HydrophobicContact CD1-CE2 4.03Å; Y11-F15 HydrophobicContact CD1-CG 4.06Å; Y11-F15 AromaticContact CD1-CZ 3.7Å; Y11-F15 HydrophobicContact CD1-CZ 3.7Å; Y11-F15 HydrophobicContact CE1-CD1 4.48Å; Y11-F15 AromaticContact CE1-CE1 3.87Å; Y11-F15 HydrophobicContact CE1-CE1 3.87Å; Y11-F15 AromaticContact CE1-CZ 3.9Å; Y11-F15 HydrophobicContact CE1-CZ 3.9Å; Y11-F15 HydrophobicContact CG-CD1 4.2Å; Y11-F15 HydrophobicContact CG-CE1 4.39Å
12	P	96.2	Very high	92.1	Very high	65 Å²	65	129.9 Å²	129.9	42%	0.422	66%	0.657	S	S	.	*			trans	-64.7	154.9	175.3	27.2	-32.1	0	0	0	110.7	Y10 D14 F15	Y10-P12 HydrophobicContact CE1-CB 4.42Å; P12-D14 PolarHBondContact O-N 2.88Å; P12-F15 HydrophobicContact CG-CB 4.14Å; P12-F15 WeakPolarHBondContact O-CB 3.5Å; P12-F15 PolarHBondContact O-N 3.43Å; P12-F15 VanDerWaalsContact O-N 3.13Å
13	P	94.2	Very high	92.1	Very high	114 Å²	114	131.4 Å²	131.4	74%	0.74	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-29.2	-174.3	24.5	-34.2	0	0	0	113.4	F15	P13-F15 VanDerWaalsContact C-N 3.25Å; P13-F15 PolarHBondContact O-N 3.13Å
14	D	94.1	Very high	91.6	Very high	140 Å²	140	135.8 Å²	135.8	75%	0.749	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	14.1	-179.5	-42	-74.2	0	0	0	113.8	P12 D16	P12-D14 PolarHBondContact O-N 2.88Å; D14-D16 PolarHBondContact O-N 3.42Å; D14-D16 VanDerWaalsContact O-N 3.14Å
15	F	93.3	Very high	91.2	Very high	88 Å²	88	127.6 Å²	127.6	39%	0.386	65%	0.648	S	S	.	*			trans	-80	91.4	-173.6	-174.7	-95.6	0	0	0	113.1	Y11 P12 P13 P17 I20	Y11-F15 AromaticContact CD1-CD1 3.71Å; Y11-F15 HydrophobicContact CD1-CD1 3.71Å; Y11-F15 HydrophobicContact CD1-CD2 4.21Å; Y11-F15 AromaticContact CD1-CE1 3.53Å; Y11-F15 HydrophobicContact CD1-CE1 3.53Å; Y11-F15 HydrophobicContact CD1-CE2 4.03Å; Y11-F15 HydrophobicContact CD1-CG 4.06Å; Y11-F15 AromaticContact CD1-CZ 3.7Å; Y11-F15 HydrophobicContact CD1-CZ 3.7Å; Y11-F15 HydrophobicContact CE1-CD1 4.48Å; Y11-F15 AromaticContact CE1-CE1 3.87Å; Y11-F15 HydrophobicContact CE1-CE1 3.87Å; Y11-F15 AromaticContact CE1-CZ 3.9Å; Y11-F15 HydrophobicContact CE1-CZ 3.9Å; Y11-F15 HydrophobicContact CG-CD1 4.2Å; Y11-F15 HydrophobicContact CG-CE1 4.39Å; P12-F15 HydrophobicContact CG-CB 4.14Å; P12-F15 WeakPolarHBondContact O-CB 3.5Å; P12-F15 PolarHBondContact O-N 3.43Å; P12-F15 VanDerWaalsContact O-N 3.13Å; P13-F15 VanDerWaalsContact C-N 3.25Å; P13-F15 PolarHBondContact O-N 3.13Å; F15-P17 WeakPolarHBondContact O-CD 3.33Å; F15-I20 HydrophobicContact CD2-CD1 4.42Å; F15-I20 HydrophobicContact CE1-CD1 4.29Å; F15-I20 HydrophobicContact CE2-CD1 3.5Å; F15-I20 VanDerWaalsContact CE2-CD1 3.5Å; F15-I20 HydrophobicContact CZ-CD1 3.41Å; F15-I20 VanDerWaalsContact CZ-CD1 3.41Å
16	D	93.6	Very high	90.8	Very high	75 Å²	75	123.2 Å²	123.2	40%	0.401	64%	0.638	S	S	.	*			trans	-85.3	115.3	169.8	-76.4	-56.9	0	0	0	112.4	D14 A18 K19	D14-D16 PolarHBondContact O-N 3.42Å; D14-D16 VanDerWaalsContact O-N 3.14Å; D16-A18 PolarHBondContact O-N 2.82Å; D16-A18 VanDerWaalsContact O-N 3.14Å; D16-K19 HydrophobicContact CB-CB 4.15Å; D16-K19 HydrophobicContact CB-CD 3.79Å; D16-K19 HydrophobicContact CB-CG 3.75Å; D16-K19 PolarHBondContact O-N 3.16Å; D16-K19 VanDerWaalsContact O-N 3.16Å; D16-K19 WeakPolarHBondContact OD2-CE 3.46Å; D16-K19 IonicContact OD2-NZ 2.76Å; D16-K19 PolarHBondContact OD2-NZ 3.4Å
17	P	89.9	Confident	90	Very high	102 Å²	102	129.2 Å²	129.2	66%	0.662	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-18.7	177.9	27.7	-35.2	0	0	0	113.2	F15	F15-P17 WeakPolarHBondContact O-CD 3.33Å
18	A	89.9	Confident	89.5	Confident	98 Å²	98	125.6 Å²	125.6	81%	0.81	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-24.7	177.2	0	0	0	0	0	113.8	D16 I20	D16-A18 PolarHBondContact O-N 2.82Å; D16-A18 VanDerWaalsContact O-N 3.14Å; A18-I20 VanDerWaalsContact C-N 3.3Å; A18-I20 PolarHBondContact O-N 3.05Å
19	K	89.3	Confident	89.2	Confident	159 Å²	159	123.7 Å²	123.7	69%	0.691	62%	0.622	S	S	*	*	S	Bend	trans	-80.4	-9.4	-178.2	-68.3	-178.9	-176.5	155.5	0	113.3	D16	D16-K19 HydrophobicContact CB-CB 4.15Å; D16-K19 HydrophobicContact CB-CD 3.79Å; D16-K19 HydrophobicContact CB-CG 3.75Å; D16-K19 PolarHBondContact O-N 3.16Å; D16-K19 VanDerWaalsContact O-N 3.16Å; D16-K19 WeakPolarHBondContact OD2-CE 3.46Å; D16-K19 IonicContact OD2-NZ 2.76Å; D16-K19 PolarHBondContact OD2-NZ 3.4Å
20	I	89.1	Confident	89.2	Confident	88 Å²	88	120.5 Å²	120.5	45%	0.451	61%	0.61	S	S	.	*	S	Bend	trans	-87.1	119.3	-172.7	-58.5	174	0	0	0	110.5	F15 A18 K22	F15-I20 HydrophobicContact CD2-CD1 4.42Å; F15-I20 HydrophobicContact CE1-CD1 4.29Å; F15-I20 HydrophobicContact CE2-CD1 3.5Å; F15-I20 VanDerWaalsContact CE2-CD1 3.5Å; F15-I20 HydrophobicContact CZ-CD1 3.41Å; F15-I20 VanDerWaalsContact CZ-CD1 3.41Å; A18-I20 VanDerWaalsContact C-N 3.3Å; A18-I20 PolarHBondContact O-N 3.05Å; I20-K22 PolarHBondContact O-N 2.85Å
21	P	89.6	Confident	89.2	Confident	115 Å²	115	116.3 Å²	116.3	75%	0.747	59%	0.594	S	S	*	*			trans	-68.6	119.5	177.8	27.7	-33.6	0	0	0	110.8	L23	P21-L23 PolarHBondContact O-N 3.32Å; P21-L23 VanDerWaalsContact O-N 3.14Å
22	K	87.2	Confident	89.3	Confident	193 Å²	193	115.4 Å²	115.4	84%	0.839	60%	0.602	S	S	*	*			trans	-65.2	112.9	170.4	-65.1	-177.7	-177	177.8	0	108.9	I20 K24	I20-K22 PolarHBondContact O-N 2.85Å; K22-K24 PolarHBondContact O-N 3.28Å
23	L	86.8	Confident	89.4	Confident	145 Å²	145	114.9 Å²	114.9	76%	0.759	60%	0.598	S	S	*	*			trans	-63.5	102	-179	-175.9	61.5	0	0	0	110.5	P21 L25	P21-L23 PolarHBondContact O-N 3.32Å; P21-L23 VanDerWaalsContact O-N 3.14Å; L23-L25 HydrophobicContact CB-CD1 4.39Å; L23-L25 HydrophobicContact CD2-CD1 3.89Å; L23-L25 HydrophobicContact CD2-CG 4.28Å; L23-L25 HydrophobicContact CG-CD1 3.82Å; L23-L25 HydrophobicContact CG-CG 4.1Å; L23-L25 PolarHBondContact O-N 2.92Å; L23-L25 VanDerWaalsContact O-N 3.07Å
24	K	82	Confident	89.5	Confident	199 Å²	199	118.5 Å²	118.5	87%	0.865	60%	0.597	S	S	*	*			trans	-79.5	83.2	177.4	-63.9	-177.1	-175	177.5	0	110	K22	K22-K24 PolarHBondContact O-N 3.28Å
25	L	83.1	Confident	89.5	Confident	79 Å²	79	113.3 Å²	113.3	41%	0.414	57%	0.568	S	S	.	*			trans	-68.9	150.6	170.8	-66.5	111.6	0	0	0	110.8	L23	L23-L25 HydrophobicContact CB-CD1 4.39Å; L23-L25 HydrophobicContact CD2-CD1 3.89Å; L23-L25 HydrophobicContact CD2-CG 4.28Å; L23-L25 HydrophobicContact CG-CD1 3.82Å; L23-L25 HydrophobicContact CG-CG 4.1Å; L23-L25 PolarHBondContact O-N 2.92Å; L23-L25 VanDerWaalsContact O-N 3.07Å
26	P	85.9	Confident	89.7	Confident	90 Å²	90	114 Å²	114	58%	0.584	57%	0.574	S	S	*	*			trans	-61.3	149.5	174.6	26.4	-35.3	0	0	0	111.4	D28 R29	P26-D28 VanDerWaalsContact C-N 3.27Å; P26-D28 PolarHBondContact O-N 3.44Å; P26-R29 WeakPolarHBondContact O-CB 3.41Å; P26-R29 PolarHBondContact O-N 2.9Å
27	K	78.8	Confident	89.8	Confident	185 Å²	185	110.5 Å²	110.5	80%	0.804	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-36.4	178.6	-79.3	-177.6	171.8	-179	0	112	R29	K27-R29 PolarHBondContact O-N 3.45Å
28	D	81.4	Confident	90	Very high	75 Å²	75	107 Å²	107	40%	0.401	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	25.2	-175.6	-44.2	-59	0	0	0	113	P26 Q30 Q64	P26-D28 VanDerWaalsContact C-N 3.27Å; P26-D28 PolarHBondContact O-N 3.44Å; D28-Q30 PolarHBondContact O-N 2.65Å; D28-Q64 VanDerWaalsContact OD1-CG 3.27Å; D28-Q64 WeakPolarHBondContact OD1-CG 3.49Å; D28-Q64 PolarHBondContact OD1-NE2 3.37Å; D28-Q64 PolarHBondContact OD2-NE2 2.86Å
29	R	87.8	Confident	90.1	Very high	110 Å²	110	103.2 Å²	103.2	42%	0.415	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-64.9	123	176.9	-179.8	177.9	-171.7	-159.5	4.9	109.7	P26 K27 Y31	P26-R29 WeakPolarHBondContact O-CB 3.41Å; P26-R29 PolarHBondContact O-N 2.9Å; K27-R29 PolarHBondContact O-N 3.45Å; R29-Y31 HydrophobicContact CB-CE2 3.92Å; R29-Y31 HydrophobicContact CG-CE1 4.47Å; R29-Y31 HydrophobicContact CG-CE2 4.14Å; R29-Y31 WeakPolarHBondContact O-CD2 3.27Å; R29-Y31 WeakPolarHBondContact O-CE2 3.39Å; R29-Y31 PolarHBondContact O-N 3.33Å
30	Q	93.2	Very high	90.3	Very high	75 Å²	75	98 Å²	98	35%	0.35	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-70.8	123.4	165.9	-67.9	-175.9	0.8	0	0	110.6	D28 R59 K60 E61	D28-Q30 PolarHBondContact O-N 2.65Å; Q30-R59 HydrophobicContact CB-CB 4.38Å; Q30-K60 CarbonylContact C-O 3.51Å; Q30-K60 VanDerWaalsContact CA-O 3.31Å; Q30-K60 WeakPolarHBondContact CA-O 3.42Å; Q30-E61 HydrophobicContact CG-CB 4.22Å; Q30-E61 HydrophobicContact CG-CG 4.41Å; Q30-E61 PolarHBondContact NE2-OE2 2.82Å
31	Y	94	Very high	90.5	Very high	110 Å²	110	93.9 Å²	93.9	43%	0.431	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135.4	176.9	-67.4	-90.9	0	0	0	110.3	R29 V33 R59 K60	R29-Y31 HydrophobicContact CB-CE2 3.92Å; R29-Y31 HydrophobicContact CG-CE1 4.47Å; R29-Y31 HydrophobicContact CG-CE2 4.14Å; R29-Y31 WeakPolarHBondContact O-CD2 3.27Å; R29-Y31 WeakPolarHBondContact O-CE2 3.39Å; R29-Y31 PolarHBondContact O-N 3.33Å; Y31-V33 PolarHBondContact O-N 2.87Å; Y31-R59 CarbonylContact O-C 3.58Å; Y31-R59 WeakPolarHBondContact O-CA 3.34Å; Y31-K60 PolarHBondContact N-O 3.35Å; Y31-K60 PolarHBondContact O-N 3.5Å
32	V	96.1	Very high	90.7	Very high	119 Å²	119	93.8 Å²	93.8	72%	0.721	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	121.3	174	-176.7	0	0	0	0	109.3	A58	V32-A58 WeakPolarHBondContact CA-O 3.4Å
33	V	97.1	Very high	91.1	Very high	54 Å²	54	84.7 Å²	84.7	33%	0.327	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133.7	-177.9	-178.7	0	0	0	0	109.2	Y31 A58 K60	Y31-V33 PolarHBondContact O-N 2.87Å; V33-A58 PolarHBondContact N-O 3.01Å; V33-A58 PolarHBondContact O-N 2.82Å; V33-K60 HydrophobicContact CG2-CB 3.88Å; V33-K60 HydrophobicContact CG2-CD 4.31Å
34	R	96.6	Very high	91.5	Very high	190 Å²	190	84.2 Å²	84.2	72%	0.717	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	114.8	174	-166.4	173	-168.3	-178.1	4.4	109.6	F56 N57	R34-F56 WeakPolarHBondContact CA-O 3.28Å; R34-N57 WeakPolarHBondContact CG-OD1 3.37Å
35	L	95.8	Very high	92.1	Very high	30 Å²	30	79.5 Å²	79.5	16%	0.157	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	173.5	-174	57.5	73.8	0	0	0	112	K55 F56 A58 F76 I78 F89	L35-K55 CarbonylContact O-C 3.43Å; L35-K55 WeakPolarHBondContact O-CA 3.29Å; L35-F56 PolarHBondContact N-O 3.44Å; L35-F56 PolarHBondContact O-N 2.8Å; L35-A58 HydrophobicContact CD1-CB 4.02Å; L35-A58 HydrophobicContact CD2-CB 3.72Å; L35-A58 HydrophobicContact CG-CB 3.77Å; L35-F76 HydrophobicContact CD2-CB 4.46Å; L35-F76 HydrophobicContact CD2-CD1 3.32Å; L35-F76 HydrophobicContact CD2-CE1 3.54Å; L35-F76 HydrophobicContact CD2-CG 3.93Å; L35-F76 HydrophobicContact CD2-CZ 4.32Å; L35-I78 HydrophobicContact CD1-CD1 3.85Å; L35-I78 HydrophobicContact CD1-CG1 4.31Å; L35-F89 HydrophobicContact CD1-CZ 4.36Å
36	M	97	Very high	92.7	Very high	104 Å²	104	77.7 Å²	77.7	51%	0.512	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	149.7	172.6	-71.2	179.3	171.2	0	0	110.4	P38 G53 K54 K55	M36-P38 WeakPolarHBondContact O-CD 3.35Å; M36-G53 WeakPolarHBondContact CG-O 3.35Å; M36-K54 WeakPolarHBondContact CA-O 3.4Å; M36-K55 HydrophobicContact CE-CD 4.42Å; M36-K55 HydrophobicContact CE-CG 4.19Å; M36-K55 HydrophobicContact CG-CG 3.99Å
37	A	95.3	Very high	93	Very high	1 Å²	1	74.6 Å²	74.6	1%	0.008	36%	0.36	C	S	.	.			trans	-61.7	120.1	166.1	0	0	0	0	0	110.1	M41 I50 K52 G53 K54 F56	A37-M41 HydrophobicContact CB-CE 4.41Å; A37-I50 HydrophobicContact CB-CG2 3.82Å; A37-K52 WeakPolarHBondContact O-CA 3.41Å; A37-G53 PolarHBondContact O-N 3.28Å; A37-K54 PolarHBondContact N-O 3.13Å; A37-F56 HydrophobicContact CB-CE2 4.27Å
38	P	93.5	Very high	93.8	Very high	29 Å²	29	68.1 Å²	68.1	19%	0.188	33%	0.333	C	S	.	.	S	Bend	trans	-73.8	-28.2	-172.7	23.2	-28.7	0	0	0	113.7	M36 K52 F89 Y98	M36-P38 WeakPolarHBondContact O-CD 3.35Å; P38-K52 VanDerWaalsContact O-CD 3.29Å; P38-K52 WeakPolarHBondContact O-CD 3.32Å; P38-K52 WeakPolarHBondContact O-CE 3.16Å; P38-K52 WeakPolarHBondContact O-CG 3.1Å; P38-F89 HydrophobicContact CG-CD2 4.43Å; P38-F89 HydrophobicContact CG-CE2 4.04Å; P38-Y98 HydrophobicContact CB-CD2 3.7Å; P38-Y98 HydrophobicContact CB-CE2 3.82Å; P38-Y98 HydrophobicContact CB-CG 4.26Å; P38-Y98 HydrophobicContact CG-CD1 4.21Å; P38-Y98 HydrophobicContact CG-CD2 3.81Å; P38-Y98 HydrophobicContact CG-CE2 4.2Å; P38-Y98 HydrophobicContact CG-CG 3.83Å
39	F	92.3	Very high	94.5	Very high	17 Å²	17	69 Å²	69	8%	0.075	33%	0.331	C	S	.	.	S	Bend	trans	-138.6	170.3	-179.5	55.9	-94.9	0	0	0	111.3	M41 Y98 M100 R106	F39-M41 HydrophobicContact CD2-CB 4.27Å; F39-M41 HydrophobicContact CD2-CE 3.99Å; F39-M41 HydrophobicContact CE1-CE 4.49Å; F39-M41 HydrophobicContact CE2-CB 4.01Å; F39-M41 HydrophobicContact CE2-CE 3.56Å; F39-M41 HydrophobicContact CE2-SD 4.5Å; F39-M41 HydrophobicContact CZ-CE 3.85Å; F39-Y98 WeakPolarHBondContact CE1-O 3.47Å; F39-M100 HydrophobicContact CE2-CE 3.57Å; F39-M100 HydrophobicContact CZ-CB 4.42Å; F39-M100 HydrophobicContact CZ-CE 3.75Å; F39-R106 HydrophobicContact CD2-CG 3.67Å; F39-R106 VanDerWaalsContact CE1-NH2 3.29Å; F39-R106 HydrophobicContact CE2-CG 3.37Å; F39-R106 HydrophobicContact CZ-CG 4.07Å
40	N	93.1	Very high	94.8	Very high	51 Å²	51	63.8 Å²	63.8	27%	0.273	31%	0.311	S	S	.	.			trans	-81.5	129.9	176.7	54	-18.7	0	0	0	111.5	I50 N107	N40-I50 WeakPolarHBondContact CA-O 3.28Å; N40-N107 HydrophobicContact CB-CB 4.41Å; N40-N107 PolarHBondContact O-N 2.91Å
41	M	93.6	Very high	94.9	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.6	-175.6	66.6	-176.2	80.2	0	0	112.5	A37 F39 I50 I87 M100 A104 T105	A37-M41 HydrophobicContact CB-CE 4.41Å; F39-M41 HydrophobicContact CD2-CB 4.27Å; F39-M41 HydrophobicContact CD2-CE 3.99Å; F39-M41 HydrophobicContact CE1-CE 4.49Å; F39-M41 HydrophobicContact CE2-CB 4.01Å; F39-M41 HydrophobicContact CE2-CE 3.56Å; F39-M41 HydrophobicContact CE2-SD 4.5Å; F39-M41 HydrophobicContact CZ-CE 3.85Å; M41-I50 HydrophobicContact CG-CB 3.68Å; M41-I50 HydrophobicContact CG-CD1 4.45Å; M41-I50 HydrophobicContact CG-CG2 4.04Å; M41-I50 PolarHBondContact N-O 2.88Å; M41-I50 PolarHBondContact O-N 3.4Å; M41-I50 HydrophobicContact SD-CB 4.45Å; M41-I50 HydrophobicContact SD-CD1 4.44Å; M41-I50 HydrophobicContact SD-CG2 4.37Å; M41-I87 HydrophobicContact SD-CG2 4.03Å; M41-M100 HydrophobicContact CB-CE 3.88Å; M41-M100 HydrophobicContact CE-CE 4.09Å; M41-M100 HydrophobicContact CG-CE 4.32Å; M41-M100 HydrophobicContact SD-CE 3.58Å; M41-M100 VanDerWaalsContact SD-CE 3.58Å; M41-A104 HydrophobicContact CB-CB 4.44Å; M41-A104 HydrophobicContact SD-CB 4.31Å; M41-T105 CarbonylContact C-O 3.56Å; M41-T105 VanDerWaalsContact CA-O 3.26Å; M41-T105 WeakPolarHBondContact CA-O 3.42Å; M41-T105 WeakPolarHBondContact CB-O 3.09Å
42	R	94.8	Very high	95	Very high	112 Å²	112	70.1 Å²	70.1	42%	0.423	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.1	175.5	-165.2	-175.1	-171.4	-173.1	2.8	110.2	K44 G47 Y49 A104 T105	R42-K44 PolarHBondContact O-N 3.44Å; R42-G47 VanDerWaalsContact CG-O 3.29Å; R42-G47 WeakPolarHBondContact CG-O 3.46Å; R42-G47 PolarHBondContact NE-O 3.28Å; R42-G47 VanDerWaalsContact NE-O 3.17Å; R42-Y49 HydrophobicContact CB-CD1 4.01Å; R42-Y49 HydrophobicContact CB-CE1 3.9Å; R42-Y49 HydrophobicContact CG-CD1 3.97Å; R42-Y49 HydrophobicContact CG-CE1 3.71Å; R42-Y49 HydrophobicContact CG-CE2 4.39Å; R42-Y49 HydrophobicContact CG-CG 4.44Å; R42-Y49 PolarHBondContact NE-OH 2.85Å; R42-A104 CarbonylContact O-C 3.6Å; R42-A104 WeakPolarHBondContact O-CA 3.4Å; R42-A104 WeakPolarHBondContact O-CB 3.31Å; R42-T105 PolarHBondContact N-O 2.75Å; R42-T105 PolarHBondContact O-N 2.91Å
43	C	95.9	Very high	94.9	Very high	2 Å²	2	66 Å²	66	1%	0.014	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	127.9	178.9	-176.9	0	0	0	0	111.2	T45 G47 E48 C83 I87	C43-T45 VanDerWaalsContact C-N 3.31Å; C43-T45 PolarHBondContact O-N 3.38Å; C43-T45 PolarHBondContact SG-OG1 2.87Å; C43-G47 WeakPolarHBondContact O-CA 3.46Å; C43-G47 PolarHBondContact O-N 3.07Å; C43-E48 HydrophobicContact CB-CB 4.42Å; C43-E48 PolarHBondContact N-O 3.46Å; C43-C83 VanDerWaalsContact SG-SG 3.68Å; C43-I87 HydrophobicContact CB-CD1 4.39Å
44	K	94.4	Very high	94.8	Very high	136 Å²	136	66.6 Å²	66.6	59%	0.591	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-31.2	-177.4	-82.4	168.7	169.1	149.2	0	112.9	R42 G103 A104 T105	R42-K44 PolarHBondContact O-N 3.44Å; K44-G103 PolarHBondContact N-O 2.99Å; K44-A104 WeakPolarHBondContact CD-O 3.21Å; K44-A104 WeakPolarHBondContact CE-O 3.34Å; K44-A104 PolarHBondContact NZ-O 3.38Å; K44-T105 HydrophobicContact CD-CG2 4.48Å; K44-T105 HydrophobicContact CG-CG2 4.19Å
45	T	95.1	Very high	94.9	Very high	100 Å²	100	64.2 Å²	64.2	61%	0.613	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-22.5	-174.8	11	0	0	0	0	115.3	C43 A85	C43-T45 VanDerWaalsContact C-N 3.31Å; C43-T45 PolarHBondContact O-N 3.38Å; C43-T45 PolarHBondContact SG-OG1 2.87Å; T45-A85 WeakPolarHBondContact OG1-CB 3.33Å
46	C	94.7	Very high	94.9	Very high	41 Å²	41	63.6 Å²	63.6	28%	0.277	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	1.9	-175.3	65.1	0	0	0	0	114.9	E48 C80 C83	C46-E48 PolarHBondContact O-N 2.73Å; C46-E48 WeakPolarHBondContact SG-CB 3.27Å; C46-C80 VanDerWaalsContact SG-SG 3.66Å; C46-C83 HydrophobicContact CB-CB 3.95Å; C46-C83 PolarHBondContact SG-SG 2.69Å
47	G	93.1	Very high	94.9	Very high	25 Å²	25	64.2 Å²	64.2	26%	0.258	31%	0.313	S	S	.	.			trans	70.3	-3.8	179.6	0	0	0	0	0	115.6	R42 C43	R42-G47 VanDerWaalsContact CG-O 3.29Å; R42-G47 WeakPolarHBondContact CG-O 3.46Å; R42-G47 PolarHBondContact NE-O 3.28Å; R42-G47 VanDerWaalsContact NE-O 3.17Å; C43-G47 WeakPolarHBondContact O-CA 3.46Å; C43-G47 PolarHBondContact O-N 3.07Å
48	E	95.4	Very high	95	Very high	49 Å²	49	64.2 Å²	64.2	23%	0.229	31%	0.313	C	S	.	.			trans	-59.6	133.2	-178.9	-173.5	73.5	-171.1	0	0	111.9	C43 C46 R82	C43-E48 HydrophobicContact CB-CB 4.42Å; C43-E48 PolarHBondContact N-O 3.46Å; C46-E48 PolarHBondContact O-N 2.73Å; C46-E48 WeakPolarHBondContact SG-CB 3.27Å; E48-R82 HydrophobicContact CB-CB 4.45Å; E48-R82 HydrophobicContact CG-CB 4.2Å; E48-R82 WeakPolarHBondContact OE2-CD 3.41Å; E48-R82 IonicContact OE2-CZ 2.86Å; E48-R82 IonicContact OE2-NE 2.69Å; E48-R82 IonicContact OE2-NH1 2.72Å; E48-R82 PolarHBondContact OE2-NH1 2.74Å
49	Y	95.1	Very high	95.1	Very high	93 Å²	93	66.1 Å²	66.1	37%	0.365	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	129.9	178.3	-69.3	-85.3	0	0	0	111.9	R42	R42-Y49 HydrophobicContact CB-CD1 4.01Å; R42-Y49 HydrophobicContact CB-CE1 3.9Å; R42-Y49 HydrophobicContact CG-CD1 3.97Å; R42-Y49 HydrophobicContact CG-CE1 3.71Å; R42-Y49 HydrophobicContact CG-CE2 4.39Å; R42-Y49 HydrophobicContact CG-CG 4.44Å; R42-Y49 PolarHBondContact NE-OH 2.85Å
50	I	95.6	Very high	95.2	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	104.4	173.3	-65.7	172.2	0	0	0	106.8	A37 N40 M41 K54 F56 I87	A37-I50 HydrophobicContact CB-CG2 3.82Å; N40-I50 WeakPolarHBondContact CA-O 3.28Å; M41-I50 HydrophobicContact CG-CB 3.68Å; M41-I50 HydrophobicContact CG-CD1 4.45Å; M41-I50 HydrophobicContact CG-CG2 4.04Å; M41-I50 PolarHBondContact N-O 2.88Å; M41-I50 PolarHBondContact O-N 3.4Å; M41-I50 HydrophobicContact SD-CB 4.45Å; M41-I50 HydrophobicContact SD-CD1 4.44Å; M41-I50 HydrophobicContact SD-CG2 4.37Å; I50-K54 HydrophobicContact CG2-CB 4.45Å; I50-K54 HydrophobicContact CG2-CD 4.32Å; I50-F56 HydrophobicContact CD1-CZ 4.09Å; I50-F56 HydrophobicContact CG1-CZ 4.33Å; I50-F56 HydrophobicContact CG2-CE2 3.8Å; I50-F56 HydrophobicContact CG2-CZ 4Å; I50-I87 HydrophobicContact CD1-CD1 3.65Å
51	Y	95.1	Very high	95.3	Very high	160 Å²	160	66.8 Å²	66.8	63%	0.627	32%	0.317	S	S	*	.			trans	-74.2	151.7	176.2	-60.6	-87.8	0	0	0	111.5	K54	Y51-K54 WeakPolarHBondContact O-CB 3.16Å; Y51-K54 PolarHBondContact O-N 3.48Å
52	K	94.6	Very high	95.3	Very high	158 Å²	158	69 Å²	69	69%	0.687	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	140.7	172.5	-179.1	169.2	-177.5	175.1	0	110.3	A37 P38 K54	A37-K52 WeakPolarHBondContact O-CA 3.41Å; P38-K52 VanDerWaalsContact O-CD 3.29Å; P38-K52 WeakPolarHBondContact O-CD 3.32Å; P38-K52 WeakPolarHBondContact O-CE 3.16Å; P38-K52 WeakPolarHBondContact O-CG 3.1Å; K52-K54 VanDerWaalsContact C-N 3.33Å; K52-K54 PolarHBondContact O-N 2.97Å
53	G	95	Very high	95.1	Very high	32 Å²	32	63.9 Å²	63.9	33%	0.33	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-11.3	-179.8	0	0	0	0	0	115.9	M36 A37 K55	M36-G53 WeakPolarHBondContact CG-O 3.35Å; A37-G53 PolarHBondContact O-N 3.28Å; G53-K55 PolarHBondContact O-N 2.66Å
54	K	95.7	Very high	94.6	Very high	66 Å²	66	69.7 Å²	69.7	29%	0.287	34%	0.339	S	S	.	.			trans	-60	122.5	176.2	-170.7	167.9	175.9	176.8	0	109.7	M36 A37 I50 Y51 K52 F56 T81	M36-K54 WeakPolarHBondContact CA-O 3.4Å; A37-K54 PolarHBondContact N-O 3.13Å; I50-K54 HydrophobicContact CG2-CB 4.45Å; I50-K54 HydrophobicContact CG2-CD 4.32Å; Y51-K54 WeakPolarHBondContact O-CB 3.16Å; Y51-K54 PolarHBondContact O-N 3.48Å; K52-K54 VanDerWaalsContact C-N 3.33Å; K52-K54 PolarHBondContact O-N 2.97Å; K54-F56 HydrophobicContact CB-CE2 3.89Å; K54-F56 HydrophobicContact CB-CZ 4.5Å; K54-F56 HydrophobicContact CD-CE2 4.12Å; K54-F56 HydrophobicContact CD-CZ 3.86Å; K54-F56 HydrophobicContact CG-CE2 3.71Å; K54-F56 HydrophobicContact CG-CZ 3.88Å; K54-F56 WeakPolarHBondContact O-CD2 3.45Å; K54-T81 PolarHBondContact NZ-OG1 3.01Å
55	K	97.4	Very high	94.1	Very high	140 Å²	140	70.1 Å²	70.1	61%	0.609	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	131	-173.1	-67.1	175.1	-178.3	172.9	0	111.3	L35 M36 G53	L35-K55 CarbonylContact O-C 3.43Å; L35-K55 WeakPolarHBondContact O-CA 3.29Å; M36-K55 HydrophobicContact CE-CD 4.42Å; M36-K55 HydrophobicContact CE-CG 4.19Å; M36-K55 HydrophobicContact CG-CG 3.99Å; G53-K55 PolarHBondContact O-N 2.66Å
56	F	96.6	Very high	93.6	Very high	18 Å²	18	68.7 Å²	68.7	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151.8	179.2	-68.3	-85.1	0	0	0	112	R34 L35 A37 I50 K54 I78 K79 T81	R34-F56 WeakPolarHBondContact CA-O 3.28Å; L35-F56 PolarHBondContact N-O 3.44Å; L35-F56 PolarHBondContact O-N 2.8Å; A37-F56 HydrophobicContact CB-CE2 4.27Å; I50-F56 HydrophobicContact CD1-CZ 4.09Å; I50-F56 HydrophobicContact CG1-CZ 4.33Å; I50-F56 HydrophobicContact CG2-CE2 3.8Å; I50-F56 HydrophobicContact CG2-CZ 4Å; K54-F56 HydrophobicContact CB-CE2 3.89Å; K54-F56 HydrophobicContact CB-CZ 4.5Å; K54-F56 HydrophobicContact CD-CE2 4.12Å; K54-F56 HydrophobicContact CD-CZ 3.86Å; K54-F56 HydrophobicContact CG-CE2 3.71Å; K54-F56 HydrophobicContact CG-CZ 3.88Å; K54-F56 WeakPolarHBondContact O-CD2 3.45Å; F56-I78 HydrophobicContact CB-CD1 4.21Å; F56-I78 HydrophobicContact CB-CG1 4.08Å; F56-I78 HydrophobicContact CB-CG2 4.27Å; F56-I78 HydrophobicContact CD1-CG2 3.52Å; F56-I78 HydrophobicContact CD2-CD1 3.77Å; F56-I78 HydrophobicContact CD2-CG1 4.39Å; F56-I78 HydrophobicContact CD2-CG2 3.93Å; F56-I78 HydrophobicContact CE1-CG2 3.63Å; F56-I78 HydrophobicContact CE2-CD1 4.35Å; F56-I78 HydrophobicContact CE2-CG2 4.04Å; F56-I78 HydrophobicContact CG-CD1 4.1Å; F56-I78 HydrophobicContact CG-CG1 4.23Å; F56-I78 HydrophobicContact CG-CG2 3.65Å; F56-I78 HydrophobicContact CZ-CG2 3.89Å; F56-K79 WeakPolarHBondContact CE1-O 3.46Å; F56-T81 HydrophobicContact CE1-CG2 3.97Å
57	N	96.4	Very high	93.4	Very high	117 Å²	117	72.1 Å²	72.1	63%	0.626	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	98.9	161.8	-62.6	-18.2	0	0	0	106.7	R34	R34-N57 WeakPolarHBondContact CG-OD1 3.37Å
58	A	96.4	Very high	93.4	Very high	1 Å²	1	74.5 Å²	74.5	1%	0.008	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	158.8	-177.9	0	0	0	0	0	111.2	V32 V33 L35 Y77 I78	V32-A58 WeakPolarHBondContact CA-O 3.4Å; V33-A58 PolarHBondContact N-O 3.01Å; V33-A58 PolarHBondContact O-N 2.82Å; L35-A58 HydrophobicContact CD1-CB 4.02Å; L35-A58 HydrophobicContact CD2-CB 3.72Å; L35-A58 HydrophobicContact CG-CB 3.77Å; A58-Y77 WeakPolarHBondContact CA-O 3.2Å; A58-Y77 WeakPolarHBondContact CB-O 3.42Å; A58-I78 HydrophobicContact CB-CG1 4.04Å
59	R	95.9	Very high	93.2	Very high	68 Å²	68	80.2 Å²	80.2	26%	0.257	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.5	161.7	-48.9	-169.3	-54.4	-92.4	-7.9	108.3	Q30 Y31 F76 Y77 E86	Q30-R59 HydrophobicContact CB-CB 4.38Å; Y31-R59 CarbonylContact O-C 3.58Å; Y31-R59 WeakPolarHBondContact O-CA 3.34Å; R59-F76 CarbonylContact O-C 3.58Å; R59-F76 WeakPolarHBondContact O-CA 3.21Å; R59-Y77 HydrophobicContact CB-CD2 4.21Å; R59-Y77 PolarHBondContact N-O 3.28Å; R59-Y77 PolarHBondContact O-N 3.11Å; R59-E86 IonicContact CZ-OE1 3.9Å; R59-E86 IonicContact CZ-OE2 3.03Å; R59-E86 IonicContact NH1-OE1 3.59Å; R59-E86 PolarHBondContact NH1-OE1 2.86Å; R59-E86 IonicContact NH1-OE2 2.73Å; R59-E86 PolarHBondContact NH1-OE2 3.07Å; R59-E86 IonicContact NH2-OE1 3.64Å; R59-E86 IonicContact NH2-OE2 2.74Å; R59-E86 PolarHBondContact NH2-OE2 3.2Å
60	K	95.8	Very high	92.9	Very high	51 Å²	51	78.8 Å²	78.8	22%	0.222	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129	175.7	179.5	-175.9	179.4	-177.4	0	109.1	Q30 Y31 V33 F74 F76	Q30-K60 CarbonylContact C-O 3.51Å; Q30-K60 VanDerWaalsContact CA-O 3.31Å; Q30-K60 WeakPolarHBondContact CA-O 3.42Å; Y31-K60 PolarHBondContact N-O 3.35Å; Y31-K60 PolarHBondContact O-N 3.5Å; V33-K60 HydrophobicContact CG2-CB 3.88Å; V33-K60 HydrophobicContact CG2-CD 4.31Å; K60-F74 HydrophobicContact CD-CD1 4.43Å; K60-F74 VanDerWaalsContact CE-CE1 3.43Å; K60-F74 HydrophobicContact CG-CB 4.49Å; K60-F74 VanDerWaalsContact NZ-CE1 3.31Å; K60-F76 HydrophobicContact CB-CD1 3.89Å; K60-F76 HydrophobicContact CB-CE1 3.72Å; K60-F76 HydrophobicContact CD-CE1 3.82Å; K60-F76 HydrophobicContact CD-CZ 4.17Å; K60-F76 HydrophobicContact CG-CD1 4.05Å; K60-F76 HydrophobicContact CG-CE1 3.54Å; K60-F76 HydrophobicContact CG-CZ 4.14Å
61	E	93.9	Very high	92.8	Very high	31 Å²	31	83.4 Å²	83.4	15%	0.145	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.9	175.1	-173	174.9	100.1	0	0	109.4	Q30 F74 R75 Y77	Q30-E61 HydrophobicContact CG-CB 4.22Å; Q30-E61 HydrophobicContact CG-CG 4.41Å; Q30-E61 PolarHBondContact NE2-OE2 2.82Å; E61-F74 CarbonylContact O-C 3.55Å; E61-F74 VanDerWaalsContact O-CA 3.32Å; E61-F74 WeakPolarHBondContact O-CA 3.47Å; E61-R75 HydrophobicContact CB-CB 4.42Å; E61-R75 PolarHBondContact N-O 2.8Å; E61-R75 PolarHBondContact O-N 2.85Å; E61-R75 IonicContact OE1-NH1 2.65Å; E61-R75 PolarHBondContact OE1-NH1 3.36Å; E61-R75 VanDerWaalsContact OE1-NH1 3.16Å; E61-Y77 HydrophobicContact CB-CE2 3.97Å; E61-Y77 PolarHBondContact OE1-OH 3.46Å; E61-Y77 PolarHBondContact OE2-OH 3.27Å
62	T	93.7	Very high	92.7	Very high	47 Å²	47	78.5 Å²	78.5	29%	0.288	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.5	169.9	-51.4	0	0	0	0	108.1	Q64 P72 F74	T62-Q64 PolarHBondContact O-N 2.7Å; T62-P72 HydrophobicContact CG2-CB 3.94Å; T62-F74 HydrophobicContact CG2-CD1 4.32Å; T62-F74 HydrophobicContact CG2-CE1 4.13Å
63	V	91.6	Very high	92.7	Very high	6 Å²	6	72 Å²	72	4%	0.036	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	115.4	179.1	-177.1	0	0	0	0	108.3	N65 E66 I73 R75	V63-N65 VanDerWaalsContact C-N 3.33Å; V63-N65 HydrophobicContact CG1-CB 4.4Å; V63-E66 HydrophobicContact CG1-CB 4.01Å; V63-E66 HydrophobicContact CG1-CG 4.28Å; V63-I73 HydrophobicContact CB-CG2 4.39Å; V63-I73 HydrophobicContact CG2-CG2 4.22Å; V63-I73 PolarHBondContact N-O 2.93Å; V63-R75 HydrophobicContact CG2-CB 3.75Å
64	Q	85.4	Confident	92.7	Very high	123 Å²	123	72.9 Å²	72.9	58%	0.575	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	-33.6	178.8	-70.5	-161.5	-6.4	0	0	113.2	D28 T62 E66	D28-Q64 VanDerWaalsContact OD1-CG 3.27Å; D28-Q64 WeakPolarHBondContact OD1-CG 3.49Å; D28-Q64 PolarHBondContact OD1-NE2 3.37Å; D28-Q64 PolarHBondContact OD2-NE2 2.86Å; T62-Q64 PolarHBondContact O-N 2.7Å; Q64-E66 VanDerWaalsContact C-N 3.29Å; Q64-E66 PolarHBondContact O-N 2.83Å
65	N	82.4	Confident	92.7	Very high	146 Å²	146	72 Å²	72	78%	0.781	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	-14.2	-168.1	-58.5	0.1	0	0	0	113.7	V63	V63-N65 VanDerWaalsContact C-N 3.33Å; V63-N65 HydrophobicContact CG1-CB 4.4Å
66	E	84.9	Confident	92.6	Very high	70 Å²	70	66.2 Å²	66.2	33%	0.327	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	109.6	-163.9	-69.4	160	-123.1	0	0	109.8	V63 Q64 I73 K90	V63-E66 HydrophobicContact CG1-CB 4.01Å; V63-E66 HydrophobicContact CG1-CG 4.28Å; Q64-E66 VanDerWaalsContact C-N 3.29Å; Q64-E66 PolarHBondContact O-N 2.83Å; E66-I73 HydrophobicContact CB-CD1 3.93Å; E66-K90 IonicContact OE1-NZ 2.62Å; E66-K90 PolarHBondContact OE1-NZ 3Å; E66-K90 WeakPolarHBondContact OE2-CE 3.26Å; E66-K90 IonicContact OE2-NZ 2.66Å; E66-K90 PolarHBondContact OE2-NZ 3.31Å
67	L	91.4	Very high	92.7	Very high	113 Å²	113	67.2 Å²	67.2	59%	0.592	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.3	175.7	-61.9	178.1	0	0	0	108.6	L71 P72	L67-L71 WeakPolarHBondContact CA-O 3.36Å; L67-P72 HydrophobicContact CD2-CB 4.28Å
68	Y	92.1	Very high	92.7	Very high	74 Å²	74	61.7 Å²	61.7	29%	0.29	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	110.6	179.3	179.4	-91.1	0	0	0	109.7	G70 L71 P93 E94	Y68-G70 PolarHBondContact O-N 3.07Å; Y68-L71 HydrophobicContact CD1-CD1 4.49Å; Y68-L71 PolarHBondContact N-O 3.32Å; Y68-L71 WeakPolarHBondContact O-CA 3.41Å; Y68-L71 VanDerWaalsContact O-CB 3.25Å; Y68-L71 WeakPolarHBondContact O-CB 3.26Å; Y68-L71 PolarHBondContact O-N 3.45Å; Y68-P93 VanDerWaalsContact CB-CG 3.44Å; Y68-P93 HydrophobicContact CD1-CB 3.91Å; Y68-P93 HydrophobicContact CD1-CG 3.6Å; Y68-P93 HydrophobicContact CD2-CG 4.34Å; Y68-P93 HydrophobicContact CE1-CB 4.42Å; Y68-P93 HydrophobicContact CE1-CG 4.42Å; Y68-P93 HydrophobicContact CG-CB 4.36Å; Y68-P93 HydrophobicContact CG-CG 3.54Å; Y68-E94 HydrophobicContact CD2-CB 4.37Å; Y68-E94 HydrophobicContact CE2-CB 3.69Å; Y68-E94 HydrophobicContact CE2-CG 4.1Å
69	M	91.4	Very high	92.6	Very high	170 Å²	170	66.6 Å²	66.6	84%	0.837	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	29.5	-176.8	-60.9	-176.8	161.6	0	0	114
70	G	89.3	Confident	92.6	Very high	62 Å²	62	63.4 Å²	63.4	64%	0.639	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	-6	-175.1	0	0	0	0	0	115.6	Y68	Y68-G70 PolarHBondContact O-N 3.07Å
71	L	93.2	Very high	92.5	Very high	99 Å²	99	64.9 Å²	64.9	52%	0.518	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	131.9	172	-61.5	170.9	0	0	0	110.7	L67 Y68 P93	L67-L71 WeakPolarHBondContact CA-O 3.36Å; Y68-L71 HydrophobicContact CD1-CD1 4.49Å; Y68-L71 PolarHBondContact N-O 3.32Å; Y68-L71 WeakPolarHBondContact O-CA 3.41Å; Y68-L71 VanDerWaalsContact O-CB 3.25Å; Y68-L71 WeakPolarHBondContact O-CB 3.26Å; Y68-L71 PolarHBondContact O-N 3.45Å; L71-P93 HydrophobicContact CD1-CB 4.41Å
72	P	92.8	Very high	92.5	Very high	57 Å²	57	71.9 Å²	71.9	37%	0.37	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	124.4	178.7	29.6	-33.7	0	0	0	112	T62 L67 F74	T62-P72 HydrophobicContact CG2-CB 3.94Å; L67-P72 HydrophobicContact CD2-CB 4.28Å; P72-F74 HydrophobicContact CB-CE1 4.23Å; P72-F74 HydrophobicContact CB-CZ 4.19Å; P72-F74 HydrophobicContact CG-CE1 4.25Å; P72-F74 HydrophobicContact CG-CE2 4.32Å; P72-F74 HydrophobicContact CG-CZ 3.73Å
73	I	95.2	Very high	92.5	Very high	20 Å²	20	72 Å²	72	10%	0.103	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	135.5	172.9	-72.5	165.5	0	0	0	109.8	V63 E66 K90 P93	V63-I73 HydrophobicContact CB-CG2 4.39Å; V63-I73 HydrophobicContact CG2-CG2 4.22Å; V63-I73 PolarHBondContact N-O 2.93Å; E66-I73 HydrophobicContact CB-CD1 3.93Å; I73-K90 HydrophobicContact CG2-CB 4.16Å; I73-K90 HydrophobicContact CG2-CD 4.28Å; I73-K90 HydrophobicContact CG2-CG 4.07Å; I73-P93 HydrophobicContact CG1-CG 4.45Å
74	F	94.8	Very high	92.7	Very high	51 Å²	51	77.6 Å²	77.6	22%	0.224	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.3	-178.7	-60.1	-60.4	0	0	0	111.5	K60 E61 T62 P72 F76 K90 T91	K60-F74 HydrophobicContact CD-CD1 4.43Å; K60-F74 VanDerWaalsContact CE-CE1 3.43Å; K60-F74 HydrophobicContact CG-CB 4.49Å; K60-F74 VanDerWaalsContact NZ-CE1 3.31Å; E61-F74 CarbonylContact O-C 3.55Å; E61-F74 VanDerWaalsContact O-CA 3.32Å; E61-F74 WeakPolarHBondContact O-CA 3.47Å; T62-F74 HydrophobicContact CG2-CD1 4.32Å; T62-F74 HydrophobicContact CG2-CE1 4.13Å; P72-F74 HydrophobicContact CB-CE1 4.23Å; P72-F74 HydrophobicContact CB-CZ 4.19Å; P72-F74 HydrophobicContact CG-CE1 4.25Å; P72-F74 HydrophobicContact CG-CE2 4.32Å; P72-F74 HydrophobicContact CG-CZ 3.73Å; F74-F76 HydrophobicContact CB-CE2 4Å; F74-F76 HydrophobicContact CB-CZ 4.18Å; F74-K90 CarbonylContact O-C 3.55Å; F74-K90 WeakPolarHBondContact O-CA 3.49Å; F74-T91 HydrophobicContact CB-CG2 4.16Å; F74-T91 PolarHBondContact N-OG1 3.03Å; F74-T91 PolarHBondContact O-N 3.48Å; F74-T91 VanDerWaalsContact O-N 3.13Å
75	R	95.8	Very high	93.2	Very high	48 Å²	48	73.1 Å²	73.1	18%	0.181	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	135	170.2	178.1	-176	-74.8	133.1	-4.1	109.5	E61 V63 Y77 F89 E101	E61-R75 HydrophobicContact CB-CB 4.42Å; E61-R75 PolarHBondContact N-O 2.8Å; E61-R75 PolarHBondContact O-N 2.85Å; E61-R75 IonicContact OE1-NH1 2.65Å; E61-R75 PolarHBondContact OE1-NH1 3.36Å; E61-R75 VanDerWaalsContact OE1-NH1 3.16Å; V63-R75 HydrophobicContact CG2-CB 3.75Å; R75-Y77 VanDerWaalsContact CD-CZ 3.49Å; R75-Y77 WeakPolarHBondContact CD-OH 3.28Å; R75-Y77 HydrophobicContact CG-CD2 4.49Å; R75-Y77 HydrophobicContact CG-CE2 3.93Å; R75-F89 WeakPolarHBondContact CA-O 3.28Å; R75-E101 IonicContact CZ-OE1 3.45Å; R75-E101 IonicContact CZ-OE2 2.78Å; R75-E101 IonicContact NE-OE1 2.67Å; R75-E101 PolarHBondContact NE-OE1 2.92Å; R75-E101 IonicContact NE-OE2 2.76Å; R75-E101 PolarHBondContact NE-OE2 3.22Å; R75-E101 IonicContact NH2-OE1 3.03Å; R75-E101 PolarHBondContact NH2-OE1 3.49Å; R75-E101 IonicContact NH2-OE2 3.55Å
76	F	96.6	Very high	93.8	Very high	18 Å²	18	69.6 Å²	69.6	8%	0.079	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133	176.9	-65.8	-78.7	0	0	0	111.3	L35 R59 K60 F74 T88 F89 T91 Y98	L35-F76 HydrophobicContact CD2-CB 4.46Å; L35-F76 HydrophobicContact CD2-CD1 3.32Å; L35-F76 HydrophobicContact CD2-CE1 3.54Å; L35-F76 HydrophobicContact CD2-CG 3.93Å; L35-F76 HydrophobicContact CD2-CZ 4.32Å; R59-F76 CarbonylContact O-C 3.58Å; R59-F76 WeakPolarHBondContact O-CA 3.21Å; K60-F76 HydrophobicContact CB-CD1 3.89Å; K60-F76 HydrophobicContact CB-CE1 3.72Å; K60-F76 HydrophobicContact CD-CE1 3.82Å; K60-F76 HydrophobicContact CD-CZ 4.17Å; K60-F76 HydrophobicContact CG-CD1 4.05Å; K60-F76 HydrophobicContact CG-CE1 3.54Å; K60-F76 HydrophobicContact CG-CZ 4.14Å; F74-F76 HydrophobicContact CB-CE2 4Å; F74-F76 HydrophobicContact CB-CZ 4.18Å; F76-T88 WeakPolarHBondContact O-CA 3.39Å; F76-F89 HydrophobicContact CB-CD1 4.21Å; F76-F89 HydrophobicContact CB-CD2 4.23Å; F76-F89 HydrophobicContact CB-CE1 3.66Å; F76-F89 HydrophobicContact CB-CE2 3.73Å; F76-F89 HydrophobicContact CB-CG 4.46Å; F76-F89 HydrophobicContact CB-CZ 3.42Å; F76-F89 VanDerWaalsContact CB-CZ 3.42Å; F76-F89 HydrophobicContact CD2-CD2 4.19Å; F76-F89 AromaticContact CD2-CE2 3.69Å; F76-F89 HydrophobicContact CD2-CE2 3.69Å; F76-F89 HydrophobicContact CD2-CZ 4.2Å; F76-F89 AromaticContact CG-CE2 4Å; F76-F89 HydrophobicContact CG-CE2 4Å; F76-F89 HydrophobicContact CG-CZ 4.02Å; F76-F89 PolarHBondContact N-O 3.44Å; F76-F89 PolarHBondContact O-N 3.09Å; F76-T91 HydrophobicContact CE2-CG2 3.82Å; F76-Y98 HydrophobicContact CE2-CE1 4.16Å
77	Y	96.8	Very high	94.3	Very high	39 Å²	39	66.3 Å²	66.3	15%	0.153	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	113.2	175.7	-59.3	-101.7	0	0	0	109.5	A58 R59 E61 R75 T88	A58-Y77 WeakPolarHBondContact CA-O 3.2Å; A58-Y77 WeakPolarHBondContact CB-O 3.42Å; R59-Y77 HydrophobicContact CB-CD2 4.21Å; R59-Y77 PolarHBondContact N-O 3.28Å; R59-Y77 PolarHBondContact O-N 3.11Å; E61-Y77 HydrophobicContact CB-CE2 3.97Å; E61-Y77 PolarHBondContact OE1-OH 3.46Å; E61-Y77 PolarHBondContact OE2-OH 3.27Å; R75-Y77 VanDerWaalsContact CD-CZ 3.49Å; R75-Y77 WeakPolarHBondContact CD-OH 3.28Å; R75-Y77 HydrophobicContact CG-CD2 4.49Å; R75-Y77 HydrophobicContact CG-CE2 3.93Å; Y77-T88 HydrophobicContact CD1-CG2 3.41Å; Y77-T88 VanDerWaalsContact CD1-CG2 3.41Å; Y77-T88 HydrophobicContact CE1-CG2 3.53Å; Y77-T88 HydrophobicContact CG-CG2 4.12Å
78	I	96.5	Very high	94.5	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	142	171.3	-74.3	177.4	0	0	0	109.3	L35 F56 A58 E86 I87 F89	L35-I78 HydrophobicContact CD1-CD1 3.85Å; L35-I78 HydrophobicContact CD1-CG1 4.31Å; F56-I78 HydrophobicContact CB-CD1 4.21Å; F56-I78 HydrophobicContact CB-CG1 4.08Å; F56-I78 HydrophobicContact CB-CG2 4.27Å; F56-I78 HydrophobicContact CD1-CG2 3.52Å; F56-I78 HydrophobicContact CD2-CD1 3.77Å; F56-I78 HydrophobicContact CD2-CG1 4.39Å; F56-I78 HydrophobicContact CD2-CG2 3.93Å; F56-I78 HydrophobicContact CE1-CG2 3.63Å; F56-I78 HydrophobicContact CE2-CD1 4.35Å; F56-I78 HydrophobicContact CE2-CG2 4.04Å; F56-I78 HydrophobicContact CG-CD1 4.1Å; F56-I78 HydrophobicContact CG-CG1 4.23Å; F56-I78 HydrophobicContact CG-CG2 3.65Å; F56-I78 HydrophobicContact CZ-CG2 3.89Å; A58-I78 HydrophobicContact CB-CG1 4.04Å; I78-E86 CarbonylContact O-C 3.49Å; I78-E86 WeakPolarHBondContact O-CA 3.39Å; I78-I87 PolarHBondContact N-O 2.72Å; I78-I87 PolarHBondContact O-N 2.86Å; I78-F89 HydrophobicContact CD1-CE1 3.48Å; I78-F89 VanDerWaalsContact CD1-CE1 3.48Å; I78-F89 HydrophobicContact CD1-CZ 3.86Å; I78-F89 HydrophobicContact CG1-CE1 3.84Å; I78-F89 HydrophobicContact CG1-CZ 4.42Å
79	K	95.6	Very high	94.6	Very high	105 Å²	105	57.9 Å²	57.9	46%	0.457	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132.3	167.6	-63.6	-164.9	171.6	-163.7	0	110.9	F56 E86	F56-K79 WeakPolarHBondContact CE1-O 3.46Å; K79-E86 WeakPolarHBondContact CE-OE1 3.4Å; K79-E86 HydrophobicContact CG-CG 4.34Å; K79-E86 IonicContact NZ-OE1 2.77Å; K79-E86 PolarHBondContact NZ-OE1 3.44Å
80	C	95.3	Very high	94.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.			trans	-60.8	138.3	170.6	-179.2	0	0	0	0	110.8	C46 R82 C83 L84 A85 I87	C46-C80 VanDerWaalsContact SG-SG 3.66Å; C80-R82 PolarHBondContact O-N 2.7Å; C80-R82 VanDerWaalsContact O-N 3.14Å; C80-C83 VanDerWaalsContact CB-SG 3.59Å; C80-L84 WeakPolarHBondContact O-CA 3.33Å; C80-L84 PolarHBondContact O-N 3.27Å; C80-A85 PolarHBondContact N-O 3.13Å; C80-I87 HydrophobicContact CB-CD1 4.22Å
81	T	93.4	Very high	95.1	Very high	83 Å²	83	49.2 Å²	49.2	51%	0.509	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.7	-179.5	45.9	0	0	0	0	114.7	K54 F56	K54-T81 PolarHBondContact NZ-OG1 3.01Å; F56-T81 HydrophobicContact CE1-CG2 3.97Å
82	R	95.1	Very high	95.1	Very high	178 Å²	178	46.4 Å²	46.4	67%	0.672	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-50.3	-173.5	-171.5	169.3	-179.4	172	-0.1	114.1	E48 C80	E48-R82 HydrophobicContact CB-CB 4.45Å; E48-R82 HydrophobicContact CG-CB 4.2Å; E48-R82 WeakPolarHBondContact OE2-CD 3.41Å; E48-R82 IonicContact OE2-CZ 2.86Å; E48-R82 IonicContact OE2-NE 2.69Å; E48-R82 IonicContact OE2-NH1 2.72Å; E48-R82 PolarHBondContact OE2-NH1 2.74Å; C80-R82 PolarHBondContact O-N 2.7Å; C80-R82 VanDerWaalsContact O-N 3.14Å
83	C	93.9	Very high	95.2	Very high	50 Å²	50	46 Å²	46	34%	0.338	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-0.4	-179.8	63	0	0	0	0	114.2	C43 C46 C80 A85	C43-C83 VanDerWaalsContact SG-SG 3.68Å; C46-C83 HydrophobicContact CB-CB 3.95Å; C46-C83 PolarHBondContact SG-SG 2.69Å; C80-C83 VanDerWaalsContact CB-SG 3.59Å; C83-A85 PolarHBondContact O-N 3.34Å; C83-A85 VanDerWaalsContact SG-CB 3.53Å
84	L	94.5	Very high	95	Very high	122 Å²	122	51.5 Å²	51.5	64%	0.639	25%	0.254	S	S	*	.			trans	57	-0.9	-174.5	-57	178.1	0	0	0	116.3	C80	C80-L84 WeakPolarHBondContact O-CA 3.33Å; C80-L84 PolarHBondContact O-N 3.27Å
85	A	95.8	Very high	94.8	Very high	30 Å²	30	54.4 Å²	54.4	25%	0.248	27%	0.272	C	S	.	.			trans	-56.9	143.2	177	0	0	0	0	0	111.3	T45 C80 C83	T45-A85 WeakPolarHBondContact OG1-CB 3.33Å; C80-A85 PolarHBondContact N-O 3.13Å; C83-A85 PolarHBondContact O-N 3.34Å; C83-A85 VanDerWaalsContact SG-CB 3.53Å
86	E	95	Very high	94.5	Very high	72 Å²	72	58.3 Å²	58.3	34%	0.336	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.8	-177.7	-50.2	-156.1	153.1	0	0	110.3	R59 I78 K79	R59-E86 IonicContact CZ-OE1 3.9Å; R59-E86 IonicContact CZ-OE2 3.03Å; R59-E86 IonicContact NH1-OE1 3.59Å; R59-E86 PolarHBondContact NH1-OE1 2.86Å; R59-E86 IonicContact NH1-OE2 2.73Å; R59-E86 PolarHBondContact NH1-OE2 3.07Å; R59-E86 IonicContact NH2-OE1 3.64Å; R59-E86 IonicContact NH2-OE2 2.74Å; R59-E86 PolarHBondContact NH2-OE2 3.2Å; I78-E86 CarbonylContact O-C 3.49Å; I78-E86 WeakPolarHBondContact O-CA 3.39Å; K79-E86 WeakPolarHBondContact CE-OE1 3.4Å; K79-E86 HydrophobicContact CG-CG 4.34Å; K79-E86 IonicContact NZ-OE1 2.77Å; K79-E86 PolarHBondContact NZ-OE1 3.44Å
87	I	95.8	Very high	94.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128	179.4	-61.4	167.6	0	0	0	106.5	M41 C43 I50 I78 C80 M100 H102 A104	M41-I87 HydrophobicContact SD-CG2 4.03Å; C43-I87 HydrophobicContact CB-CD1 4.39Å; I50-I87 HydrophobicContact CD1-CD1 3.65Å; I78-I87 PolarHBondContact N-O 2.72Å; I78-I87 PolarHBondContact O-N 2.86Å; C80-I87 HydrophobicContact CB-CD1 4.22Å; I87-M100 HydrophobicContact CG2-CE 4.13Å; I87-H102 WeakPolarHBondContact CA-O 3.23Å; I87-A104 HydrophobicContact CD1-CB 4.18Å; I87-A104 HydrophobicContact CG1-CB 4.24Å; I87-A104 HydrophobicContact CG2-CB 3.72Å
88	T	95.9	Very high	94.2	Very high	9 Å²	9	61.2 Å²	61.2	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.5	-179.8	61.9	0	0	0	0	112.5	F76 Y77 E101 H102	F76-T88 WeakPolarHBondContact O-CA 3.39Å; Y77-T88 HydrophobicContact CD1-CG2 3.41Å; Y77-T88 VanDerWaalsContact CD1-CG2 3.41Å; Y77-T88 HydrophobicContact CE1-CG2 3.53Å; Y77-T88 HydrophobicContact CG-CG2 4.12Å; T88-E101 PolarHBondContact O-N 2.92Å; T88-E101 WeakPolarHBondContact OG1-CB 3.18Å; T88-E101 PolarHBondContact OG1-OE2 3.17Å; T88-H102 PolarHBondContact N-O 3.21Å; T88-H102 PolarHBondContact O-N 2.87Å; T88-H102 WeakPolarHBondContact OG1-CB 3.41Å; T88-H102 PolarHBondContact OG1-N 3.37Å
89	F	95.1	Very high	94	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.009	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	149.4	173.5	59.9	-80.1	0	0	0	110.1	L35 P38 R75 F76 I78 Y98 A99	L35-F89 HydrophobicContact CD1-CZ 4.36Å; P38-F89 HydrophobicContact CG-CD2 4.43Å; P38-F89 HydrophobicContact CG-CE2 4.04Å; R75-F89 WeakPolarHBondContact CA-O 3.28Å; F76-F89 HydrophobicContact CB-CD1 4.21Å; F76-F89 HydrophobicContact CB-CD2 4.23Å; F76-F89 HydrophobicContact CB-CE1 3.66Å; F76-F89 HydrophobicContact CB-CE2 3.73Å; F76-F89 HydrophobicContact CB-CG 4.46Å; F76-F89 HydrophobicContact CB-CZ 3.42Å; F76-F89 VanDerWaalsContact CB-CZ 3.42Å; F76-F89 HydrophobicContact CD2-CD2 4.19Å; F76-F89 AromaticContact CD2-CE2 3.69Å; F76-F89 HydrophobicContact CD2-CE2 3.69Å; F76-F89 HydrophobicContact CD2-CZ 4.2Å; F76-F89 AromaticContact CG-CE2 4Å; F76-F89 HydrophobicContact CG-CE2 4Å; F76-F89 HydrophobicContact CG-CZ 4.02Å; F76-F89 PolarHBondContact N-O 3.44Å; F76-F89 PolarHBondContact O-N 3.09Å; I78-F89 HydrophobicContact CD1-CE1 3.48Å; I78-F89 VanDerWaalsContact CD1-CE1 3.48Å; I78-F89 HydrophobicContact CD1-CZ 3.86Å; I78-F89 HydrophobicContact CG1-CE1 3.84Å; I78-F89 HydrophobicContact CG1-CZ 4.42Å; F89-Y98 AromaticContact CD2-CD1 3.69Å; F89-Y98 HydrophobicContact CD2-CD1 3.69Å; F89-Y98 HydrophobicContact CD2-CG 4.27Å; F89-Y98 AromaticContact CE2-CD1 3.8Å; F89-Y98 HydrophobicContact CE2-CD1 3.8Å; F89-Y98 HydrophobicContact CE2-CE1 4.22Å; F89-A99 CarbonylContact C-O 3.57Å; F89-A99 WeakPolarHBondContact CA-O 3.36Å; F89-A99 WeakPolarHBondContact CB-O 3.24Å
90	K	95.3	Very high	93.9	Very high	24 Å²	24	59.7 Å²	59.7	10%	0.104	32%	0.316	C	S	.	.			trans	-99.9	173.6	176.4	-82.8	170.3	167.7	164.1	0	110.9	E66 I73 F74 Y98 A99 E101	E66-K90 IonicContact OE1-NZ 2.62Å; E66-K90 PolarHBondContact OE1-NZ 3Å; E66-K90 WeakPolarHBondContact OE2-CE 3.26Å; E66-K90 IonicContact OE2-NZ 2.66Å; E66-K90 PolarHBondContact OE2-NZ 3.31Å; I73-K90 HydrophobicContact CG2-CB 4.16Å; I73-K90 HydrophobicContact CG2-CD 4.28Å; I73-K90 HydrophobicContact CG2-CG 4.07Å; F74-K90 CarbonylContact O-C 3.55Å; F74-K90 WeakPolarHBondContact O-CA 3.49Å; K90-Y98 CarbonylContact O-C 3.56Å; K90-Y98 WeakPolarHBondContact O-CA 3.27Å; K90-Y98 WeakPolarHBondContact O-CB 3.23Å; K90-Y98 VanDerWaalsContact O-CD1 3.24Å; K90-Y98 WeakPolarHBondContact O-CD1 3.23Å; K90-A99 PolarHBondContact N-O 2.69Å; K90-A99 PolarHBondContact O-N 3.08Å; K90-E101 HydrophobicContact CD-CG 4.27Å; K90-E101 WeakPolarHBondContact CE-OE1 3.33Å; K90-E101 HydrophobicContact CG-CG 4.47Å; K90-E101 IonicContact NZ-OE1 3.16Å; K90-E101 PolarHBondContact NZ-OE1 3.16Å
91	T	95.2	Very high	93.7	Very high	26 Å²	26	61.7 Å²	61.7	16%	0.16	33%	0.325	C	S	.	.			trans	-99.2	129.6	165	51.6	0	0	0	0	109.7	F74 F76 P93 Y98	F74-T91 HydrophobicContact CB-CG2 4.16Å; F74-T91 PolarHBondContact N-OG1 3.03Å; F74-T91 PolarHBondContact O-N 3.48Å; F74-T91 VanDerWaalsContact O-N 3.13Å; F76-T91 HydrophobicContact CE2-CG2 3.82Å; T91-P93 WeakPolarHBondContact O-CD 3.32Å; T91-Y98 HydrophobicContact CG2-CD1 3.97Å; T91-Y98 HydrophobicContact CG2-CE1 3.69Å
92	D	93.9	Very high	93.7	Very high	40 Å²	40	63.4 Å²	63.4	21%	0.214	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-111.1	88.8	-179.4	-48.8	-13.8	0	0	0	108.6	E94 N95 T96 D97 A99	D92-E94 PolarHBondContact O-N 2.87Å; D92-N95 PolarHBondContact O-N 3.47Å; D92-T96 WeakPolarHBondContact O-CA 3.45Å; D92-T96 PolarHBondContact O-N 3.33Å; D92-D97 PolarHBondContact N-O 3.14Å; D92-D97 PolarHBondContact O-N 2.93Å; D92-A99 WeakPolarHBondContact OD1-CB 3.44Å; D92-A99 PolarHBondContact OD1-N 3.31Å; D92-A99 VanDerWaalsContact OD2-CA 3.31Å; D92-A99 WeakPolarHBondContact OD2-CA 3.28Å; D92-A99 VanDerWaalsContact OD2-CB 3.24Å; D92-A99 WeakPolarHBondContact OD2-CB 3.4Å; D92-A99 PolarHBondContact OD2-N 3.38Å
93	P	93.8	Very high	93.5	Very high	48 Å²	48	55.9 Å²	55.9	31%	0.312	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.8	-175.9	25	-34.5	0	0	0	113.8	Y68 L71 I73 T91	Y68-P93 VanDerWaalsContact CB-CG 3.44Å; Y68-P93 HydrophobicContact CD1-CB 3.91Å; Y68-P93 HydrophobicContact CD1-CG 3.6Å; Y68-P93 HydrophobicContact CD2-CG 4.34Å; Y68-P93 HydrophobicContact CE1-CB 4.42Å; Y68-P93 HydrophobicContact CE1-CG 4.42Å; Y68-P93 HydrophobicContact CG-CB 4.36Å; Y68-P93 HydrophobicContact CG-CG 3.54Å; L71-P93 HydrophobicContact CD1-CB 4.41Å; I73-P93 HydrophobicContact CG1-CG 4.45Å; T91-P93 WeakPolarHBondContact O-CD 3.32Å
94	E	91.8	Very high	93.5	Very high	136 Å²	136	53.5 Å²	53.5	64%	0.636	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-52.4	173.9	-174.3	172.6	-160.6	0	0	112.1	Y68 D92	Y68-E94 HydrophobicContact CD2-CB 4.37Å; Y68-E94 HydrophobicContact CE2-CB 3.69Å; Y68-E94 HydrophobicContact CE2-CG 4.1Å; D92-E94 PolarHBondContact O-N 2.87Å
95	N	89.1	Confident	93.4	Very high	112 Å²	112	50.7 Å²	50.7	60%	0.599	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	1.4	-178	-69.1	-60.8	0	0	0	113.5	D92 D97	D92-N95 PolarHBondContact O-N 3.47Å; N95-D97 PolarHBondContact O-N 3.22Å; N95-D97 VanDerWaalsContact O-N 3.14Å
96	T	91.4	Very high	93.2	Very high	129 Å²	129	53.3 Å²	53.3	79%	0.791	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	19.7	-171.8	69.2	0	0	0	0	115.3	D92	D92-T96 WeakPolarHBondContact O-CA 3.45Å; D92-T96 PolarHBondContact O-N 3.33Å
97	D	92.3	Very high	92.8	Very high	38 Å²	38	52 Å²	52	20%	0.203	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-119.8	-159.5	-174.2	-161.6	-5.4	0	0	0	110.8	D92 N95 R106	D92-D97 PolarHBondContact N-O 3.14Å; D92-D97 PolarHBondContact O-N 2.93Å; N95-D97 PolarHBondContact O-N 3.22Å; N95-D97 VanDerWaalsContact O-N 3.14Å; D97-R106 IonicContact OD1-CZ 3.45Å; D97-R106 IonicContact OD1-NH1 3.46Å; D97-R106 IonicContact OD1-NH2 3.79Å; D97-R106 PolarHBondContact OD1-NH2 3.05Å; D97-R106 IonicContact OD2-CZ 3.72Å; D97-R106 IonicContact OD2-NH1 2.72Å; D97-R106 PolarHBondContact OD2-NH1 2.93Å; D97-R106 IonicContact OD2-NH2 2.68Å; D97-R106 PolarHBondContact OD2-NH2 3.25Å
98	Y	93.5	Very high	91.7	Very high	80 Å²	80	60.1 Å²	60.1	31%	0.314	31%	0.311	S	S	.	.			trans	-142.2	101.2	-170.3	-70.2	-100.8	0	0	0	112.5	P38 F39 F76 F89 K90 T91 R106	P38-Y98 HydrophobicContact CB-CD2 3.7Å; P38-Y98 HydrophobicContact CB-CE2 3.82Å; P38-Y98 HydrophobicContact CB-CG 4.26Å; P38-Y98 HydrophobicContact CG-CD1 4.21Å; P38-Y98 HydrophobicContact CG-CD2 3.81Å; P38-Y98 HydrophobicContact CG-CE2 4.2Å; P38-Y98 HydrophobicContact CG-CG 3.83Å; F39-Y98 WeakPolarHBondContact CE1-O 3.47Å; F76-Y98 HydrophobicContact CE2-CE1 4.16Å; F89-Y98 AromaticContact CD2-CD1 3.69Å; F89-Y98 HydrophobicContact CD2-CD1 3.69Å; F89-Y98 HydrophobicContact CD2-CG 4.27Å; F89-Y98 AromaticContact CE2-CD1 3.8Å; F89-Y98 HydrophobicContact CE2-CD1 3.8Å; F89-Y98 HydrophobicContact CE2-CE1 4.22Å; K90-Y98 CarbonylContact O-C 3.56Å; K90-Y98 WeakPolarHBondContact O-CA 3.27Å; K90-Y98 WeakPolarHBondContact O-CB 3.23Å; K90-Y98 VanDerWaalsContact O-CD1 3.24Å; K90-Y98 WeakPolarHBondContact O-CD1 3.23Å; T91-Y98 HydrophobicContact CG2-CD1 3.97Å; T91-Y98 HydrophobicContact CG2-CE1 3.69Å; Y98-R106 PolarHBondContact O-NH2 3.37Å
99	A	92.6	Very high	90.6	Very high	36 Å²	36	63.3 Å²	63.3	30%	0.298	33%	0.325	S	S	.	.			trans	-63	142	-178.6	0	0	0	0	0	111.6	F89 K90 D92	F89-A99 CarbonylContact C-O 3.57Å; F89-A99 WeakPolarHBondContact CA-O 3.36Å; F89-A99 WeakPolarHBondContact CB-O 3.24Å; K90-A99 PolarHBondContact N-O 2.69Å; K90-A99 PolarHBondContact O-N 3.08Å; D92-A99 WeakPolarHBondContact OD1-CB 3.44Å; D92-A99 PolarHBondContact OD1-N 3.31Å; D92-A99 VanDerWaalsContact OD2-CA 3.31Å; D92-A99 WeakPolarHBondContact OD2-CA 3.28Å; D92-A99 VanDerWaalsContact OD2-CB 3.24Å; D92-A99 WeakPolarHBondContact OD2-CB 3.4Å; D92-A99 PolarHBondContact OD2-N 3.38Å
100	M	93.1	Very high	89.5	Confident	39 Å²	39	66.2 Å²	66.2	19%	0.192	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.4	176.6	176.6	161	-81.6	0	0	110.8	F39 M41 I87 A104 T105 R106	F39-M100 HydrophobicContact CE2-CE 3.57Å; F39-M100 HydrophobicContact CZ-CB 4.42Å; F39-M100 HydrophobicContact CZ-CE 3.75Å; M41-M100 HydrophobicContact CB-CE 3.88Å; M41-M100 HydrophobicContact CE-CE 4.09Å; M41-M100 HydrophobicContact CG-CE 4.32Å; M41-M100 HydrophobicContact SD-CE 3.58Å; M41-M100 VanDerWaalsContact SD-CE 3.58Å; I87-M100 HydrophobicContact CG2-CE 4.13Å; M100-A104 HydrophobicContact CE-CB 3.55Å; M100-A104 HydrophobicContact SD-CB 3.6Å; M100-A104 VanDerWaalsContact SD-CB 3.6Å; M100-T105 VanDerWaalsContact SD-CA 3.53Å; M100-R106 HydrophobicContact CB-CG 4.49Å; M100-R106 PolarHBondContact SD-N 2.96Å; M100-R106 VanDerWaalsContact SD-N 3.41Å
101	E	91.6	Very high	88.4	Confident	41 Å²	41	71.7 Å²	71.7	19%	0.192	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-62.1	177	-62.3	175.5	126.7	0	0	110.9	R75 T88 K90	R75-E101 IonicContact CZ-OE1 3.45Å; R75-E101 IonicContact CZ-OE2 2.78Å; R75-E101 IonicContact NE-OE1 2.67Å; R75-E101 PolarHBondContact NE-OE1 2.92Å; R75-E101 IonicContact NE-OE2 2.76Å; R75-E101 PolarHBondContact NE-OE2 3.22Å; R75-E101 IonicContact NH2-OE1 3.03Å; R75-E101 PolarHBondContact NH2-OE1 3.49Å; R75-E101 IonicContact NH2-OE2 3.55Å; T88-E101 PolarHBondContact O-N 2.92Å; T88-E101 WeakPolarHBondContact OG1-CB 3.18Å; T88-E101 PolarHBondContact OG1-OE2 3.17Å; K90-E101 HydrophobicContact CD-CG 4.27Å; K90-E101 WeakPolarHBondContact CE-OE1 3.33Å; K90-E101 HydrophobicContact CG-CG 4.47Å; K90-E101 IonicContact NZ-OE1 3.16Å; K90-E101 PolarHBondContact NZ-OE1 3.16Å
102	H	93.6	Very high	87.6	Confident	120 Å²	120	74.5 Å²	74.5	56%	0.556	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	161.6	-164.8	-53	-31.6	0	0	0	113.7	I87 T88 A104	I87-H102 WeakPolarHBondContact CA-O 3.23Å; T88-H102 PolarHBondContact N-O 3.21Å; T88-H102 PolarHBondContact O-N 2.87Å; T88-H102 WeakPolarHBondContact OG1-CB 3.41Å; T88-H102 PolarHBondContact OG1-N 3.37Å; H102-A104 VanDerWaalsContact C-N 3.27Å; H102-A104 PolarHBondContact O-N 3.28Å; H102-A104 VanDerWaalsContact O-N 3.15Å
103	G	90.4	Very high	87	Confident	20 Å²	20	76.6 Å²	76.6	21%	0.206	40%	0.396	C	S	.	.	S	Bend	trans	79.3	-19.1	172.5	0	0	0	0	0	117	K44	K44-G103 PolarHBondContact N-O 2.99Å
104	A	94.4	Very high	86.4	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	176.5	-179	0	0	0	0	0	113.3	M41 R42 K44 I87 M100 H102	M41-A104 HydrophobicContact CB-CB 4.44Å; M41-A104 HydrophobicContact SD-CB 4.31Å; R42-A104 CarbonylContact O-C 3.6Å; R42-A104 WeakPolarHBondContact O-CA 3.4Å; R42-A104 WeakPolarHBondContact O-CB 3.31Å; K44-A104 WeakPolarHBondContact CD-O 3.21Å; K44-A104 WeakPolarHBondContact CE-O 3.34Å; K44-A104 PolarHBondContact NZ-O 3.38Å; I87-A104 HydrophobicContact CD1-CB 4.18Å; I87-A104 HydrophobicContact CG1-CB 4.24Å; I87-A104 HydrophobicContact CG2-CB 3.72Å; M100-A104 HydrophobicContact CE-CB 3.55Å; M100-A104 HydrophobicContact SD-CB 3.6Å; M100-A104 VanDerWaalsContact SD-CB 3.6Å; H102-A104 VanDerWaalsContact C-N 3.27Å; H102-A104 PolarHBondContact O-N 3.28Å; H102-A104 VanDerWaalsContact O-N 3.15Å
105	T	92.3	Very high	86.1	Confident	62 Å²	62	76.6 Å²	76.6	38%	0.38	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	144	160	55.6	0	0	0	0	109.4	M41 R42 K44 M100	M41-T105 CarbonylContact C-O 3.56Å; M41-T105 VanDerWaalsContact CA-O 3.26Å; M41-T105 WeakPolarHBondContact CA-O 3.42Å; M41-T105 WeakPolarHBondContact CB-O 3.09Å; R42-T105 PolarHBondContact N-O 2.75Å; R42-T105 PolarHBondContact O-N 2.91Å; K44-T105 HydrophobicContact CD-CG2 4.48Å; K44-T105 HydrophobicContact CG-CG2 4.19Å; M100-T105 VanDerWaalsContact SD-CA 3.53Å
106	R	91.4	Very high	86	Confident	85 Å²	85	76.5 Å²	76.5	32%	0.321	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	144.8	159.2	-83	176.3	166.5	-131.2	-13.1	108.8	F39 D97 Y98 M100	F39-R106 HydrophobicContact CD2-CG 3.67Å; F39-R106 VanDerWaalsContact CE1-NH2 3.29Å; F39-R106 HydrophobicContact CE2-CG 3.37Å; F39-R106 HydrophobicContact CZ-CG 4.07Å; D97-R106 IonicContact OD1-CZ 3.45Å; D97-R106 IonicContact OD1-NH1 3.46Å; D97-R106 IonicContact OD1-NH2 3.79Å; D97-R106 PolarHBondContact OD1-NH2 3.05Å; D97-R106 IonicContact OD2-CZ 3.72Å; D97-R106 IonicContact OD2-NH1 2.72Å; D97-R106 PolarHBondContact OD2-NH1 2.93Å; D97-R106 IonicContact OD2-NH2 2.68Å; D97-R106 PolarHBondContact OD2-NH2 3.25Å; Y98-R106 PolarHBondContact O-NH2 3.37Å; M100-R106 HydrophobicContact CB-CG 4.49Å; M100-R106 PolarHBondContact SD-N 2.96Å; M100-R106 VanDerWaalsContact SD-N 3.41Å
107	N	85.9	Confident	85.8	Confident	45 Å²	45	74.6 Å²	74.6	24%	0.241	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-71.7	131.4	164.4	-77.4	15.5	0	0	0	107.7	N40 Q109	N40-N107 HydrophobicContact CB-CB 4.41Å; N40-N107 PolarHBondContact O-N 2.91Å; N107-Q109 PolarHBondContact O-N 3.02Å
108	F	74.3	Confident	85.6	Confident	171 Å²	171	78.5 Å²	78.5	75%	0.75	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-70.3	126.9	-178.3	-140.1	-111.3	0	0	0	109.9	L113	F108-L113 HydrophobicContact CE1-CD1 3.48Å; F108-L113 VanDerWaalsContact CE1-CD1 3.48Å; F108-L113 HydrophobicContact CE1-CG 3.72Å; F108-L113 HydrophobicContact CZ-CD1 3.69Å; F108-L113 HydrophobicContact CZ-CD2 4.28Å; F108-L113 HydrophobicContact CZ-CG 3.93Å
109	Q	71.7	Confident	85.4	Confident	75 Å²	75	79.5 Å²	79.5	35%	0.35	40%	0.395	S	S	.	.			trans	-100.8	104.8	174.1	-71.4	175.8	-33.6	0	0	106.9	N107 E111 K112	N107-Q109 PolarHBondContact O-N 3.02Å; Q109-E111 PolarHBondContact O-N 3.47Å; Q109-K112 HydrophobicContact CB-CB 4.25Å; Q109-K112 HydrophobicContact CB-CG 4.09Å; Q109-K112 PolarHBondContact O-N 2.92Å; Q109-K112 VanDerWaalsContact O-N 3.1Å; Q109-K112 VanDerWaalsContact OE1-CE 3.3Å
110	A	72.3	Confident	85.4	Confident	63 Å²	63	82.7 Å²	82.7	52%	0.521	40%	0.4	S	S	.	.	H	α-helix	trans	-58.8	-39.1	180	0	0	0	0	0	111.2	K112 L113 I114	A110-K112 PolarHBondContact O-N 2.83Å; A110-L113 PolarHBondContact O-N 3.09Å; A110-L113 VanDerWaalsContact O-N 3.1Å; A110-I114 WeakPolarHBondContact O-CG1 3.3Å; A110-I114 PolarHBondContact O-N 2.92Å
111	E	71.9	Confident	85.2	Confident	140 Å²	140	85 Å²	85	65%	0.654	41%	0.412	S	S	*	.	H	α-helix	trans	-46.3	-44.5	171.9	-62.5	156.6	164.4	0	0	112.4	Q109 I114 E115	Q109-E111 PolarHBondContact O-N 3.47Å; E111-I114 PolarHBondContact O-N 3.27Å; E111-E115 WeakPolarHBondContact O-CB 3.45Å; E111-E115 PolarHBondContact O-N 2.71Å
112	K	79.2	Confident	85	Confident	85 Å²	85	87 Å²	87	37%	0.37	42%	0.421	S	S	.	.	H	α-helix	trans	-68.6	-39.4	-179.8	-76.5	-161	167	-155.4	0	113.7	Q109 A110 I114 E116	Q109-K112 HydrophobicContact CB-CB 4.25Å; Q109-K112 HydrophobicContact CB-CG 4.09Å; Q109-K112 PolarHBondContact O-N 2.92Å; Q109-K112 VanDerWaalsContact O-N 3.1Å; Q109-K112 VanDerWaalsContact OE1-CE 3.3Å; A110-K112 PolarHBondContact O-N 2.83Å; K112-I114 VanDerWaalsContact C-N 3.34Å; K112-E116 WeakPolarHBondContact O-CB 3.43Å; K112-E116 WeakPolarHBondContact O-CG 3.36Å; K112-E116 PolarHBondContact O-N 3.15Å
113	L	80.9	Confident	84.8	Confident	83 Å²	83	86.6 Å²	86.6	44%	0.435	42%	0.419	S	S	.	.	H	α-helix	trans	-69	-36.3	174.4	-77.1	-151.6	0	0	0	111.9	F108 A110 E116 E117	F108-L113 HydrophobicContact CE1-CD1 3.48Å; F108-L113 VanDerWaalsContact CE1-CD1 3.48Å; F108-L113 HydrophobicContact CE1-CG 3.72Å; F108-L113 HydrophobicContact CZ-CD1 3.69Å; F108-L113 HydrophobicContact CZ-CD2 4.28Å; F108-L113 HydrophobicContact CZ-CG 3.93Å; A110-L113 PolarHBondContact O-N 3.09Å; A110-L113 VanDerWaalsContact O-N 3.1Å; L113-E116 PolarHBondContact O-N 2.95Å; L113-E117 WeakPolarHBondContact O-CB 3.35Å; L113-E117 PolarHBondContact O-N 3.44Å
114	I	81.5	Confident	84.6	Confident	92 Å²	92	90.2 Å²	90.2	47%	0.472	43%	0.431	S	S	.	.	H	α-helix	trans	-62.6	-50.5	175.9	-67.3	164.8	0	0	0	108.8	A110 E111 K112 E116 E117 E118	A110-I114 WeakPolarHBondContact O-CG1 3.3Å; A110-I114 PolarHBondContact O-N 2.92Å; E111-I114 PolarHBondContact O-N 3.27Å; K112-I114 VanDerWaalsContact C-N 3.34Å; I114-E116 VanDerWaalsContact C-N 3.34Å; I114-E116 PolarHBondContact O-N 3.01Å; I114-E117 PolarHBondContact O-N 3.5Å; I114-E118 HydrophobicContact CG2-CG 4.23Å; I114-E118 VanDerWaalsContact CG2-OE1 3.26Å; I114-E118 WeakPolarHBondContact CG2-OE1 3.28Å; I114-E118 VanDerWaalsContact O-CB 3.25Å; I114-E118 WeakPolarHBondContact O-CB 3.29Å; I114-E118 VanDerWaalsContact O-CG 3.23Å; I114-E118 WeakPolarHBondContact O-CG 3.46Å; I114-E118 PolarHBondContact O-N 2.85Å
115	E	85.2	Confident	84.2	Confident	93 Å²	93	95 Å²	95	44%	0.435	45%	0.449	S	S	.	.	H	α-helix	trans	-56.4	-41	173.3	-85.6	-169.6	-120.6	0	0	113.8	E111 K119	E111-E115 WeakPolarHBondContact O-CB 3.45Å; E111-E115 PolarHBondContact O-N 2.71Å; E115-K119 WeakPolarHBondContact O-CB 3.05Å; E115-K119 WeakPolarHBondContact O-CD 3.24Å; E115-K119 WeakPolarHBondContact O-CE 3.39Å; E115-K119 WeakPolarHBondContact O-CG 3.33Å; E115-K119 PolarHBondContact O-N 3.29Å; E115-K119 IonicContact OE2-NZ 2.67Å; E115-K119 PolarHBondContact OE2-NZ 2.9Å
116	E	85.8	Confident	83.8	Confident	110 Å²	110	96.2 Å²	96.2	51%	0.514	45%	0.45	S	S	.	.	H	α-helix	trans	-70.7	-39.8	-179.3	-76.9	164.7	-159	0	0	111.9	K112 L113 I114 R120	K112-E116 WeakPolarHBondContact O-CB 3.43Å; K112-E116 WeakPolarHBondContact O-CG 3.36Å; K112-E116 PolarHBondContact O-N 3.15Å; L113-E116 PolarHBondContact O-N 2.95Å; I114-E116 VanDerWaalsContact C-N 3.34Å; I114-E116 PolarHBondContact O-N 3.01Å; E116-R120 PolarHBondContact O-N 3.49Å; E116-R120 VanDerWaalsContact O-N 3.13Å
117	E	87.9	Confident	83.4	Confident	89 Å²	89	97.5 Å²	97.5	42%	0.416	46%	0.463	S	S	.	.	H	α-helix	trans	-76.5	-37.4	177.3	-163.9	66.8	-170	0	0	112	L113 I114 K119 R120 I121	L113-E117 WeakPolarHBondContact O-CB 3.35Å; L113-E117 PolarHBondContact O-N 3.44Å; I114-E117 PolarHBondContact O-N 3.5Å; E117-K119 VanDerWaalsContact C-N 3.35Å; E117-K119 PolarHBondContact O-N 3.35Å; E117-R120 WeakPolarHBondContact O-CB 3.26Å; E117-R120 PolarHBondContact O-N 3.1Å; E117-R120 IonicContact OE1-CZ 3.64Å; E117-R120 IonicContact OE1-NH1 3.81Å; E117-R120 PolarHBondContact OE1-NH1 3.32Å; E117-R120 IonicContact OE2-CZ 2.72Å; E117-R120 IonicContact OE2-NH1 3.34Å; E117-R120 PolarHBondContact OE2-NH1 2.84Å; E117-I121 HydrophobicContact CG-CD1 4.15Å; E117-I121 VanDerWaalsContact O-CG1 3.31Å; E117-I121 WeakPolarHBondContact O-CG1 3.19Å; E117-I121 PolarHBondContact O-N 3.11Å
118	E	88.1	Confident	83.2	Confident	119 Å²	119	100.2 Å²	100.2	56%	0.556	48%	0.475	S	S	*	.	H	α-helix	trans	-58.9	-44.8	170.7	-77.9	173.8	175.4	0	0	111.2	I114 R120 I121 Q122	I114-E118 HydrophobicContact CG2-CG 4.23Å; I114-E118 VanDerWaalsContact CG2-OE1 3.26Å; I114-E118 WeakPolarHBondContact CG2-OE1 3.28Å; I114-E118 VanDerWaalsContact O-CB 3.25Å; I114-E118 WeakPolarHBondContact O-CB 3.29Å; I114-E118 VanDerWaalsContact O-CG 3.23Å; I114-E118 WeakPolarHBondContact O-CG 3.46Å; I114-E118 PolarHBondContact O-N 2.85Å; E118-R120 VanDerWaalsContact C-N 3.32Å; E118-R120 PolarHBondContact O-N 3.28Å; E118-I121 PolarHBondContact O-N 3.01Å; E118-Q122 VanDerWaalsContact O-CB 3.23Å; E118-Q122 WeakPolarHBondContact O-CB 3.31Å; E118-Q122 PolarHBondContact O-N 3.44Å
119	K	90.3	Very high	83.6	Confident	102 Å²	102	94 Å²	94	44%	0.443	45%	0.448	S	S	.	.	H	α-helix	trans	-63.6	-36.6	175.8	-73.4	160.9	-158.5	161.5	0	112	E115 E117 Q123	E115-K119 WeakPolarHBondContact O-CB 3.05Å; E115-K119 WeakPolarHBondContact O-CD 3.24Å; E115-K119 WeakPolarHBondContact O-CE 3.39Å; E115-K119 WeakPolarHBondContact O-CG 3.33Å; E115-K119 PolarHBondContact O-N 3.29Å; E115-K119 IonicContact OE2-NZ 2.67Å; E115-K119 PolarHBondContact OE2-NZ 2.9Å; E117-K119 VanDerWaalsContact C-N 3.35Å; E117-K119 PolarHBondContact O-N 3.35Å; K119-Q123 WeakPolarHBondContact O-CB 3.49Å; K119-Q123 WeakPolarHBondContact O-CG 3.39Å; K119-Q123 PolarHBondContact O-N 2.9Å
120	R	91.1	Very high	84	Confident	103 Å²	103	97.2 Å²	97.2	39%	0.389	47%	0.467	S	S	.	.	H	α-helix	trans	-65.5	-48.7	172.5	-89.9	-168.5	56	-113.8	-16.7	112.6	E116 E117 E118 Q122 Q123 E124	E116-R120 PolarHBondContact O-N 3.49Å; E116-R120 VanDerWaalsContact O-N 3.13Å; E117-R120 WeakPolarHBondContact O-CB 3.26Å; E117-R120 PolarHBondContact O-N 3.1Å; E117-R120 IonicContact OE1-CZ 3.64Å; E117-R120 IonicContact OE1-NH1 3.81Å; E117-R120 PolarHBondContact OE1-NH1 3.32Å; E117-R120 IonicContact OE2-CZ 2.72Å; E117-R120 IonicContact OE2-NH1 3.34Å; E117-R120 PolarHBondContact OE2-NH1 2.84Å; E118-R120 VanDerWaalsContact C-N 3.32Å; E118-R120 PolarHBondContact O-N 3.28Å; R120-Q122 PolarHBondContact O-N 2.76Å; R120-Q123 PolarHBondContact O-N 3.49Å; R120-E124 IonicContact CZ-OE1 3.85Å; R120-E124 IonicContact NE-OE1 2.9Å; R120-E124 PolarHBondContact NE-OE1 3.37Å; R120-E124 IonicContact NH2-OE1 3.82Å; R120-E124 PolarHBondContact NH2-OE1 2.99Å; R120-E124 IonicContact NH2-OE2 2.71Å; R120-E124 WeakPolarHBondContact O-CB 3.31Å; R120-E124 WeakPolarHBondContact O-CG 3.49Å; R120-E124 PolarHBondContact O-N 2.86Å
121	I	90.1	Very high	84.4	Confident	87 Å²	87	101.3 Å²	101.3	45%	0.446	48%	0.48	S	S	.	.	H	α-helix	trans	-61.8	-37	178.6	-68.1	164.4	0	0	0	110.8	E117 E118 R125	E117-I121 HydrophobicContact CG-CD1 4.15Å; E117-I121 VanDerWaalsContact O-CG1 3.31Å; E117-I121 WeakPolarHBondContact O-CG1 3.19Å; E117-I121 PolarHBondContact O-N 3.11Å; E118-I121 PolarHBondContact O-N 3.01Å; I121-R125 WeakPolarHBondContact O-CB 3.5Å; I121-R125 PolarHBondContact O-N 2.93Å
122	Q	87.6	Confident	85.2	Confident	82 Å²	82	98.1 Å²	98.1	38%	0.383	47%	0.468	S	S	.	.	H	α-helix	trans	-68.6	-43.9	175.3	-175.8	61.5	23.2	0	0	111.8	E118 R120 R125 E126	E118-Q122 VanDerWaalsContact O-CB 3.23Å; E118-Q122 WeakPolarHBondContact O-CB 3.31Å; E118-Q122 PolarHBondContact O-N 3.44Å; R120-Q122 PolarHBondContact O-N 2.76Å; Q122-R125 WeakPolarHBondContact O-CB 3.46Å; Q122-R125 PolarHBondContact O-N 3.48Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.42Å; Q122-E126 PolarHBondContact NE2-OE1 2.92Å; Q122-E126 WeakPolarHBondContact O-CB 3.31Å; Q122-E126 WeakPolarHBondContact O-CG 3.43Å; Q122-E126 PolarHBondContact O-N 2.95Å
123	Q	88.1	Confident	85.5	Confident	113 Å²	113	99 Å²	99	53%	0.528	48%	0.482	S	S	.	.	H	α-helix	trans	-62.6	-43.2	174.2	-77.3	168.4	-4.6	0	0	112.2	K119 R120 R125 E126 D127	K119-Q123 WeakPolarHBondContact O-CB 3.49Å; K119-Q123 WeakPolarHBondContact O-CG 3.39Å; K119-Q123 PolarHBondContact O-N 2.9Å; R120-Q123 PolarHBondContact O-N 3.49Å; Q123-R125 VanDerWaalsContact C-N 3.32Å; Q123-R125 PolarHBondContact O-N 3.05Å; Q123-E126 PolarHBondContact O-N 2.93Å; Q123-D127 WeakPolarHBondContact O-CB 3.45Å; Q123-D127 PolarHBondContact O-N 3.28Å
124	E	87.1	Confident	85.9	Confident	95 Å²	95	100.9 Å²	100.9	44%	0.444	49%	0.49	S	S	.	.	H	α-helix	trans	-62.7	-39	176.3	-73.8	167.8	-160.5	0	0	110.9	R120 E128	R120-E124 IonicContact CZ-OE1 3.85Å; R120-E124 IonicContact NE-OE1 2.9Å; R120-E124 PolarHBondContact NE-OE1 3.37Å; R120-E124 IonicContact NH2-OE1 3.82Å; R120-E124 PolarHBondContact NH2-OE1 2.99Å; R120-E124 IonicContact NH2-OE2 2.71Å; R120-E124 WeakPolarHBondContact O-CB 3.31Å; R120-E124 WeakPolarHBondContact O-CG 3.49Å; R120-E124 PolarHBondContact O-N 2.86Å; E124-E128 WeakPolarHBondContact O-CB 3.2Å; E124-E128 VanDerWaalsContact O-CG 3.27Å; E124-E128 WeakPolarHBondContact O-CG 3.18Å; E124-E128 PolarHBondContact O-N 3.17Å; E124-E128 VanDerWaalsContact O-N 3.12Å
125	R	85.3	Confident	86.2	Confident	101 Å²	101	99 Å²	99	38%	0.381	48%	0.478	S	S	.	.	H	α-helix	trans	-63.7	-45.4	170.9	-174.2	-169.1	-58.1	-158.8	3.4	112.3	I121 Q122 Q123 E128 E129	I121-R125 WeakPolarHBondContact O-CB 3.5Å; I121-R125 PolarHBondContact O-N 2.93Å; Q122-R125 WeakPolarHBondContact O-CB 3.46Å; Q122-R125 PolarHBondContact O-N 3.48Å; Q123-R125 VanDerWaalsContact C-N 3.32Å; Q123-R125 PolarHBondContact O-N 3.05Å; R125-E128 PolarHBondContact O-N 3.43Å; R125-E129 WeakPolarHBondContact CG-OE1 3.5Å; R125-E129 WeakPolarHBondContact O-CB 3.45Å; R125-E129 WeakPolarHBondContact O-CG 3.47Å; R125-E129 PolarHBondContact O-N 3.37Å
126	E	84.1	Confident	86.5	Confident	88 Å²	88	96 Å²	96	41%	0.411	47%	0.466	S	S	.	.	H	α-helix	trans	-65.2	-41.6	-179	-76.4	171.4	-166.8	0	0	111.9	Q122 Q123 E129 L130	Q122-E126 WeakPolarHBondContact CG-OE1 3.42Å; Q122-E126 PolarHBondContact NE2-OE1 2.92Å; Q122-E126 WeakPolarHBondContact O-CB 3.31Å; Q122-E126 WeakPolarHBondContact O-CG 3.43Å; Q122-E126 PolarHBondContact O-N 2.95Å; Q123-E126 PolarHBondContact O-N 2.93Å; E126-E129 PolarHBondContact O-N 3.35Å; E126-L130 WeakPolarHBondContact O-CB 3.43Å; E126-L130 WeakPolarHBondContact O-CG 3.47Å; E126-L130 PolarHBondContact O-N 2.98Å
127	D	84.1	Confident	86.7	Confident	111 Å²	111	95.6 Å²	95.6	59%	0.594	47%	0.467	S	S	*	.	H	α-helix	trans	-63.6	-42.1	173.6	-82	-24.6	0	0	0	111.8	Q123 E129 N131	Q123-D127 WeakPolarHBondContact O-CB 3.45Å; Q123-D127 PolarHBondContact O-N 3.28Å; D127-E129 VanDerWaalsContact C-N 3.29Å; D127-E129 PolarHBondContact O-N 2.91Å; D127-N131 VanDerWaalsContact O-CB 3.28Å; D127-N131 WeakPolarHBondContact O-CB 3.33Å; D127-N131 PolarHBondContact O-N 3.47Å; D127-N131 VanDerWaalsContact O-N 3.11Å
128	E	81.1	Confident	86.8	Confident	103 Å²	103	96 Å²	96	48%	0.481	47%	0.469	S	S	.	.	H	α-helix	trans	-64.6	-32.3	174.6	-75.3	-168.2	113.1	0	0	113.1	E124 R125 K135	E124-E128 WeakPolarHBondContact O-CB 3.2Å; E124-E128 VanDerWaalsContact O-CG 3.27Å; E124-E128 WeakPolarHBondContact O-CG 3.18Å; E124-E128 PolarHBondContact O-N 3.17Å; E124-E128 VanDerWaalsContact O-N 3.12Å; R125-E128 PolarHBondContact O-N 3.43Å; E128-K135 HydrophobicContact CB-CD 4.17Å; E128-K135 IonicContact OE1-NZ 3.9Å; E128-K135 PolarHBondContact OE1-NZ 3.45Å; E128-K135 WeakPolarHBondContact OE2-CE 3.18Å; E128-K135 IonicContact OE2-NZ 3.77Å; E128-K135 PolarHBondContact OE2-NZ 2.8Å
129	E	82.4	Confident	86.9	Confident	39 Å²	39	91.5 Å²	91.5	18%	0.182	45%	0.449	C	S	.	.	H	α-helix	trans	-78.3	-43.4	177.6	-87.5	-174.6	-143.2	0	0	112.6	R125 E126 D127 N131 N132 K135 V136 N139	R125-E129 WeakPolarHBondContact CG-OE1 3.5Å; R125-E129 WeakPolarHBondContact O-CB 3.45Å; R125-E129 WeakPolarHBondContact O-CG 3.47Å; R125-E129 PolarHBondContact O-N 3.37Å; E126-E129 PolarHBondContact O-N 3.35Å; D127-E129 VanDerWaalsContact C-N 3.29Å; D127-E129 PolarHBondContact O-N 2.91Å; E129-N131 PolarHBondContact O-N 3.34Å; E129-N132 CarbonylContact O-C 3.55Å; E129-N132 VanDerWaalsContact O-C 3.27Å; E129-N132 PolarHBondContact O-N 3.05Å; E129-N132 VanDerWaalsContact O-N 3.09Å; E129-N132 VanDerWaalsContact O-O 3.12Å; E129-K135 HydrophobicContact CG-CG 4.41Å; E129-V136 HydrophobicContact CB-CG2 3.69Å; E129-V136 HydrophobicContact CG-CG2 3.9Å; E129-V136 WeakPolarHBondContact O-CG2 3.2Å; E129-N139 PolarHBondContact OE1-ND2 3.37Å
130	L	80.3	Confident	87	Confident	144 Å²	144	94.7 Å²	94.7	75%	0.754	46%	0.458	S	S	*	.	H	α-helix	trans	-60.9	-34	174.7	-74.6	167.7	0	0	0	112	E126 N132	E126-L130 WeakPolarHBondContact O-CB 3.43Å; E126-L130 WeakPolarHBondContact O-CG 3.47Å; E126-L130 PolarHBondContact O-N 2.98Å; L130-N132 VanDerWaalsContact C-N 3.33Å
131	N	80.8	Confident	87.1	Confident	148 Å²	148	92.9 Å²	92.9	79%	0.791	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-16.3	177.3	-162.7	14.8	0	0	0	113.2	D127 E129	D127-N131 VanDerWaalsContact O-CB 3.28Å; D127-N131 WeakPolarHBondContact O-CB 3.33Å; D127-N131 PolarHBondContact O-N 3.47Å; D127-N131 VanDerWaalsContact O-N 3.11Å; E129-N131 PolarHBondContact O-N 3.34Å
132	N	87.4	Confident	87.4	Confident	74 Å²	74	93.4 Å²	93.4	40%	0.396	46%	0.458	S	S	.	.			trans	-151.4	107.4	178.5	-171.2	-11.8	0	0	0	114.1	E129 L130 M134 K135 V136	E129-N132 CarbonylContact O-C 3.55Å; E129-N132 VanDerWaalsContact O-C 3.27Å; E129-N132 PolarHBondContact O-N 3.05Å; E129-N132 VanDerWaalsContact O-N 3.09Å; E129-N132 VanDerWaalsContact O-O 3.12Å; L130-N132 VanDerWaalsContact C-N 3.33Å; N132-M134 PolarHBondContact O-N 3.1Å; N132-M134 VanDerWaalsContact O-N 3.15Å; N132-M134 WeakPolarHBondContact OD1-CB 3.43Å; N132-M134 PolarHBondContact OD1-N 3.11Å; N132-K135 HydrophobicContact CB-CB 4.12Å; N132-K135 WeakPolarHBondContact O-CB 3.34Å; N132-K135 PolarHBondContact O-N 2.99Å; N132-V136 PolarHBondContact O-N 2.91Å
133	P	87.1	Confident	87.7	Confident	104 Å²	104	92.9 Å²	92.9	68%	0.675	46%	0.458	S	S	*	.	H	α-helix	trans	-65.9	-19.4	-179.8	28	-35.5	0	0	0	114.1	K135 L137	P133-K135 VanDerWaalsContact C-N 3.34Å; P133-L137 PolarHBondContact O-N 3.36Å
134	M	88.4	Confident	88.1	Confident	121 Å²	121	90.4 Å²	90.4	60%	0.596	45%	0.453	S	S	*	.	H	α-helix	trans	-69.8	-34.1	170.8	-64	-62.5	-63.3	0	0	111.4	N132 L137 E138	N132-M134 PolarHBondContact O-N 3.1Å; N132-M134 VanDerWaalsContact O-N 3.15Å; N132-M134 WeakPolarHBondContact OD1-CB 3.43Å; N132-M134 PolarHBondContact OD1-N 3.11Å; M134-L137 PolarHBondContact O-N 2.85Å; M134-E138 PolarHBondContact O-N 3.36Å
135	K	88.8	Confident	88.6	Confident	52 Å²	52	91.2 Å²	91.2	23%	0.226	46%	0.455	C	S	.	.	H	α-helix	trans	-68.5	-36	178	-176.1	162.3	171.2	163	0	111.8	E128 E129 N132 P133 L137 E138 N139	E128-K135 HydrophobicContact CB-CD 4.17Å; E128-K135 IonicContact OE1-NZ 3.9Å; E128-K135 PolarHBondContact OE1-NZ 3.45Å; E128-K135 WeakPolarHBondContact OE2-CE 3.18Å; E128-K135 IonicContact OE2-NZ 3.77Å; E128-K135 PolarHBondContact OE2-NZ 2.8Å; E129-K135 HydrophobicContact CG-CG 4.41Å; N132-K135 HydrophobicContact CB-CB 4.12Å; N132-K135 WeakPolarHBondContact O-CB 3.34Å; N132-K135 PolarHBondContact O-N 2.99Å; P133-K135 VanDerWaalsContact C-N 3.34Å; K135-L137 VanDerWaalsContact C-N 3.34Å; K135-L137 PolarHBondContact O-N 2.77Å; K135-E138 PolarHBondContact O-N 3.49Å; K135-N139 WeakPolarHBondContact O-CB 3.26Å; K135-N139 VanDerWaalsContact O-CG 3.27Å; K135-N139 PolarHBondContact O-N 2.8Å; K135-N139 PolarHBondContact O-OD1 2.86Å
136	V	89.9	Confident	89.1	Confident	30 Å²	30	92.3 Å²	92.3	18%	0.182	47%	0.465	C	S	.	.	H	α-helix	trans	-57.5	-46.2	169.7	180	0	0	0	0	111.4	E129 N132 N139 R140	E129-V136 HydrophobicContact CB-CG2 3.69Å; E129-V136 HydrophobicContact CG-CG2 3.9Å; E129-V136 WeakPolarHBondContact O-CG2 3.2Å; N132-V136 PolarHBondContact O-N 2.91Å; V136-N139 PolarHBondContact O-N 3.14Å; V136-R140 WeakPolarHBondContact O-CB 3.38Å; V136-R140 VanDerWaalsContact O-CG 3.32Å; V136-R140 WeakPolarHBondContact O-CG 3.21Å; V136-R140 PolarHBondContact O-N 3.11Å
137	L	89.9	Confident	89.7	Confident	103 Å²	103	94 Å²	94	54%	0.539	47%	0.473	S	S	.	.	H	α-helix	trans	-69.9	-40.3	-179.2	-168.1	152.7	0	0	0	111.5	P133 M134 K135 T141	P133-L137 PolarHBondContact O-N 3.36Å; M134-L137 PolarHBondContact O-N 2.85Å; K135-L137 VanDerWaalsContact C-N 3.34Å; K135-L137 PolarHBondContact O-N 2.77Å; L137-T141 HydrophobicContact CD2-CG2 4.27Å; L137-T141 WeakPolarHBondContact O-CB 3.42Å; L137-T141 WeakPolarHBondContact O-CG2 3.33Å; L137-T141 PolarHBondContact O-N 2.92Å; L137-T141 PolarHBondContact O-OG1 2.9Å
138	E	91.1	Very high	90.3	Very high	97 Å²	97	93.7 Å²	93.7	45%	0.453	47%	0.47	S	S	.	.	H	α-helix	trans	-59.9	-45.6	170.8	-85.2	-168.6	-141.7	0	0	112.7	M134 K135 T141 K142	M134-E138 PolarHBondContact O-N 3.36Å; K135-E138 PolarHBondContact O-N 3.49Å; E138-T141 WeakPolarHBondContact CA-OG1 3.23Å; E138-T141 PolarHBondContact O-N 2.87Å; E138-T141 PolarHBondContact O-OG1 3.21Å; E138-T141 VanDerWaalsContact O-OG1 3.13Å; E138-K142 WeakPolarHBondContact O-CD 3.37Å; E138-K142 WeakPolarHBondContact O-CE 3.13Å; E138-K142 WeakPolarHBondContact O-CG 3.21Å; E138-K142 PolarHBondContact O-N 3.22Å; E138-K142 IonicContact OE2-NZ 3.9Å; E138-K142 PolarHBondContact OE2-NZ 2.72Å
139	N	90.1	Very high	91	Very high	24 Å²	24	94 Å²	94	13%	0.128	47%	0.471	C	S	.	.	H	α-helix	trans	-66	-50.2	-178.7	-73.8	-0.5	0	0	0	110.4	E129 K135 V136 T141 K142 D143	E129-N139 PolarHBondContact OE1-ND2 3.37Å; K135-N139 WeakPolarHBondContact O-CB 3.26Å; K135-N139 VanDerWaalsContact O-CG 3.27Å; K135-N139 PolarHBondContact O-N 2.8Å; K135-N139 PolarHBondContact O-OD1 2.86Å; V136-N139 PolarHBondContact O-N 3.14Å; N139-T141 VanDerWaalsContact C-N 3.25Å; N139-T141 PolarHBondContact O-N 3.15Å; N139-K142 CarbonylContact O-C 3.44Å; N139-K142 WeakPolarHBondContact O-CA 3.25Å; N139-K142 WeakPolarHBondContact O-CB 3.34Å; N139-K142 PolarHBondContact O-N 2.68Å; N139-D143 PolarHBondContact O-N 3.46Å
140	R	91.9	Very high	91.7	Very high	169 Å²	169	95.5 Å²	95.5	64%	0.638	48%	0.483	S	S	*	.	H	α-helix	trans	-54.3	-39.3	173.5	-70.3	174.3	-175.3	178.3	2.9	113.3	V136 S144	V136-R140 WeakPolarHBondContact O-CB 3.38Å; V136-R140 VanDerWaalsContact O-CG 3.32Å; V136-R140 WeakPolarHBondContact O-CG 3.21Å; V136-R140 PolarHBondContact O-N 3.11Å; R140-S144 WeakPolarHBondContact O-CB 3.1Å; R140-S144 PolarHBondContact O-N 3.13Å; R140-S144 PolarHBondContact O-OG 2.66Å
141	T	94.5	Very high	92.5	Very high	66 Å²	66	94.2 Å²	94.2	41%	0.405	48%	0.476	S	S	.	.	H	α-helix	trans	-80.4	-12.5	177.7	54.6	0	0	0	0	114.4	L137 E138 N139 K145	L137-T141 HydrophobicContact CD2-CG2 4.27Å; L137-T141 WeakPolarHBondContact O-CB 3.42Å; L137-T141 WeakPolarHBondContact O-CG2 3.33Å; L137-T141 PolarHBondContact O-N 2.92Å; L137-T141 PolarHBondContact O-OG1 2.9Å; E138-T141 WeakPolarHBondContact CA-OG1 3.23Å; E138-T141 PolarHBondContact O-N 2.87Å; E138-T141 PolarHBondContact O-OG1 3.21Å; E138-T141 VanDerWaalsContact O-OG1 3.13Å; N139-T141 VanDerWaalsContact C-N 3.25Å; N139-T141 PolarHBondContact O-N 3.15Å; T141-K145 WeakPolarHBondContact O-CD 3.2Å; T141-K145 WeakPolarHBondContact O-CE 3.35Å; T141-K145 WeakPolarHBondContact O-CG 3.43Å
142	K	94.6	Very high	93.3	Very high	98 Å²	98	93.2 Å²	93.2	43%	0.426	47%	0.467	S	S	.	.	H	α-helix	trans	-82.5	-45.9	165.3	-68.4	156.8	-162.1	165.1	0	109.9	E138 N139 K145 M146	E138-K142 WeakPolarHBondContact O-CD 3.37Å; E138-K142 WeakPolarHBondContact O-CE 3.13Å; E138-K142 WeakPolarHBondContact O-CG 3.21Å; E138-K142 PolarHBondContact O-N 3.22Å; E138-K142 IonicContact OE2-NZ 3.9Å; E138-K142 PolarHBondContact OE2-NZ 2.72Å; N139-K142 CarbonylContact O-C 3.44Å; N139-K142 WeakPolarHBondContact O-CA 3.25Å; N139-K142 WeakPolarHBondContact O-CB 3.34Å; N139-K142 PolarHBondContact O-N 2.68Å; K142-K145 WeakPolarHBondContact O-CB 3.37Å; K142-K145 PolarHBondContact O-N 3.48Å; K142-K145 VanDerWaalsContact O-N 3.13Å; K142-M146 PolarHBondContact O-N 2.76Å
143	D	94.4	Very high	93.8	Very high	71 Å²	71	94.2 Å²	94.2	38%	0.38	47%	0.472	S	S	.	.	H	α-helix	trans	-59.3	-52.2	179.1	-60.6	-30	0	0	0	110.7	N139 K145 M146 E147	N139-D143 PolarHBondContact O-N 3.46Å; D143-K145 PolarHBondContact O-N 2.82Å; D143-M146 WeakPolarHBondContact O-CB 3.38Å; D143-M146 PolarHBondContact O-N 2.94Å; D143-M146 VanDerWaalsContact O-N 3.11Å; D143-E147 WeakPolarHBondContact O-CG 3.34Å; D143-E147 PolarHBondContact O-N 2.92Å
144	S	96.3	Very high	94.2	Very high	60 Å²	60	94 Å²	94	42%	0.42	47%	0.465	S	S	.	.	H	α-helix	trans	-64.2	-24.4	176.5	-61.6	0	0	0	0	114.1	R140 M148	R140-S144 WeakPolarHBondContact O-CB 3.1Å; R140-S144 PolarHBondContact O-N 3.13Å; R140-S144 PolarHBondContact O-OG 2.66Å; S144-M148 WeakPolarHBondContact O-CE 3.46Å; S144-M148 VanDerWaalsContact O-CG 3.31Å; S144-M148 WeakPolarHBondContact O-CG 3.23Å; S144-M148 PolarHBondContact O-N 3.13Å; S144-M148 VanDerWaalsContact O-N 3.15Å
145	K	97.2	Very high	94.6	Very high	113 Å²	113	94 Å²	94	49%	0.491	46%	0.463	S	S	.	.	H	α-helix	trans	-73.2	-45.9	170.9	-77.2	172.2	-170.2	172.4	0	111.1	T141 K142 D143 E147 M148 E149	T141-K145 WeakPolarHBondContact O-CD 3.2Å; T141-K145 WeakPolarHBondContact O-CE 3.35Å; T141-K145 WeakPolarHBondContact O-CG 3.43Å; K142-K145 WeakPolarHBondContact O-CB 3.37Å; K142-K145 PolarHBondContact O-N 3.48Å; K142-K145 VanDerWaalsContact O-N 3.13Å; D143-K145 PolarHBondContact O-N 2.82Å; K145-E147 VanDerWaalsContact C-N 3.26Å; K145-E147 PolarHBondContact O-N 3.36Å; K145-M148 HydrophobicContact CG-CE 4.12Å; K145-M148 PolarHBondContact O-N 2.78Å; K145-M148 VanDerWaalsContact O-N 3.14Å; K145-E149 WeakPolarHBondContact O-CB 3.48Å; K145-E149 VanDerWaalsContact O-CG 3.31Å; K145-E149 WeakPolarHBondContact O-CG 3.49Å; K145-E149 PolarHBondContact O-N 2.77Å
146	M	96.9	Very high	94.9	Very high	123 Å²	123	98 Å²	98	61%	0.606	48%	0.483	S	S	*	.	H	α-helix	trans	-60	-37.8	175.4	-174.9	174.9	173.4	0	0	111.5	K142 D143 V150	K142-M146 PolarHBondContact O-N 2.76Å; D143-M146 WeakPolarHBondContact O-CB 3.38Å; D143-M146 PolarHBondContact O-N 2.94Å; D143-M146 VanDerWaalsContact O-N 3.11Å; M146-V150 VanDerWaalsContact O-CB 3.31Å; M146-V150 WeakPolarHBondContact O-CB 3.46Å; M146-V150 WeakPolarHBondContact O-CG2 3.27Å; M146-V150 PolarHBondContact O-N 3.19Å
147	E	95.9	Very high	95.2	Very high	124 Å²	124	102 Å²	102	58%	0.579	50%	0.503	S	S	*	.	H	α-helix	trans	-62.7	-46.2	172.2	-71.5	177.2	154.3	0	0	112.3	D143 K145 V150 L151	D143-E147 WeakPolarHBondContact O-CG 3.34Å; D143-E147 PolarHBondContact O-N 2.92Å; K145-E147 VanDerWaalsContact C-N 3.26Å; K145-E147 PolarHBondContact O-N 3.36Å; E147-V150 PolarHBondContact O-N 2.88Å; E147-L151 WeakPolarHBondContact O-CB 3.33Å; E147-L151 VanDerWaalsContact O-CG 3.28Å; E147-L151 WeakPolarHBondContact O-CG 3.44Å; E147-L151 PolarHBondContact O-N 2.89Å
148	M	96.4	Very high	95.4	Very high	105 Å²	105	103.5 Å²	103.5	52%	0.517	51%	0.505	S	S	.	.	H	α-helix	trans	-63	-48.5	175.3	-72.2	-176.4	-58.9	0	0	111.9	S144 K145 V150 L151 E152	S144-M148 WeakPolarHBondContact O-CE 3.46Å; S144-M148 VanDerWaalsContact O-CG 3.31Å; S144-M148 WeakPolarHBondContact O-CG 3.23Å; S144-M148 PolarHBondContact O-N 3.13Å; S144-M148 VanDerWaalsContact O-N 3.15Å; K145-M148 HydrophobicContact CG-CE 4.12Å; K145-M148 PolarHBondContact O-N 2.78Å; K145-M148 VanDerWaalsContact O-N 3.14Å; M148-V150 VanDerWaalsContact C-N 3.31Å; M148-V150 PolarHBondContact O-N 2.81Å; M148-L151 PolarHBondContact O-N 2.88Å; M148-L151 VanDerWaalsContact O-N 3.11Å; M148-E152 WeakPolarHBondContact O-CG 3.5Å; M148-E152 PolarHBondContact O-N 3.02Å
149	E	97	Very high	95.5	Very high	108 Å²	108	102.1 Å²	102.1	51%	0.505	50%	0.498	S	S	.	.	H	α-helix	trans	-58.1	-41.7	177.4	-72.2	168.3	-152.1	0	0	111.3	K145 E152 N153	K145-E149 WeakPolarHBondContact O-CB 3.48Å; K145-E149 VanDerWaalsContact O-CG 3.31Å; K145-E149 WeakPolarHBondContact O-CG 3.49Å; K145-E149 PolarHBondContact O-N 2.77Å; E149-E152 PolarHBondContact O-N 3.14Å; E149-N153 WeakPolarHBondContact O-CB 3.47Å; E149-N153 PolarHBondContact O-N 2.85Å; E149-N153 PolarHBondContact O-ND2 3.15Å
150	V	97.5	Very high	95.6	Very high	72 Å²	72	105.2 Å²	105.2	44%	0.436	51%	0.514	S	S	.	.	H	α-helix	trans	-66.3	-39.8	175.6	166.5	0	0	0	0	111.8	M146 E147 M148 L154	M146-V150 VanDerWaalsContact O-CB 3.31Å; M146-V150 WeakPolarHBondContact O-CB 3.46Å; M146-V150 WeakPolarHBondContact O-CG2 3.27Å; M146-V150 PolarHBondContact O-N 3.19Å; E147-V150 PolarHBondContact O-N 2.88Å; M148-V150 VanDerWaalsContact C-N 3.31Å; M148-V150 PolarHBondContact O-N 2.81Å; V150-L154 HydrophobicContact CG1-CD1 3.99Å; V150-L154 WeakPolarHBondContact O-CB 3.36Å; V150-L154 VanDerWaalsContact O-CG 3.24Å; V150-L154 WeakPolarHBondContact O-CG 3.48Å; V150-L154 PolarHBondContact O-N 3.05Å
151	L	97.3	Very high	95.4	Very high	116 Å²	116	102.2 Å²	102.2	61%	0.607	51%	0.511	S	S	*	.	H	α-helix	trans	-67.2	-40.5	176.1	-72.6	169.7	0	0	0	112.3	E147 M148 L154 Q155	E147-L151 WeakPolarHBondContact O-CB 3.33Å; E147-L151 VanDerWaalsContact O-CG 3.28Å; E147-L151 WeakPolarHBondContact O-CG 3.44Å; E147-L151 PolarHBondContact O-N 2.89Å; M148-L151 PolarHBondContact O-N 2.88Å; M148-L151 VanDerWaalsContact O-N 3.11Å; L151-L154 PolarHBondContact O-N 3.35Å; L151-Q155 PolarHBondContact O-N 3.41Å
152	E	96.7	Very high	95.2	Very high	127 Å²	127	104.6 Å²	104.6	59%	0.593	52%	0.517	S	S	*	.	H	α-helix	trans	-62.6	-49.9	174.7	-73	175.5	172.9	0	0	110.9	M148 E149 L154 Q155 E156	M148-E152 WeakPolarHBondContact O-CG 3.5Å; M148-E152 PolarHBondContact O-N 3.02Å; E149-E152 PolarHBondContact O-N 3.14Å; E152-L154 VanDerWaalsContact C-N 3.3Å; E152-L154 PolarHBondContact O-N 3.34Å; E152-Q155 PolarHBondContact O-N 3.42Å; E152-E156 PolarHBondContact O-N 3.1Å
153	N	97.3	Very high	94.8	Very high	95 Å²	95	107.9 Å²	107.9	51%	0.508	53%	0.527	S	S	.	.	H	α-helix	trans	-57	-40.9	174.7	-84.1	-85.2	0	0	0	112.4	E149 L157	E149-N153 WeakPolarHBondContact O-CB 3.47Å; E149-N153 PolarHBondContact O-N 2.85Å; E149-N153 PolarHBondContact O-ND2 3.15Å; N153-L157 WeakPolarHBondContact O-CB 3.36Å; N153-L157 WeakPolarHBondContact O-CG 3.48Å; N153-L157 PolarHBondContact O-N 3.22Å
154	L	96.4	Very high	94.3	Very high	101 Å²	101	108.5 Å²	108.5	53%	0.529	53%	0.528	S	S	.	.	H	α-helix	trans	-67.8	-34.3	176	-75.7	170.5	0	0	0	112.5	V150 L151 E152 K158	V150-L154 HydrophobicContact CG1-CD1 3.99Å; V150-L154 WeakPolarHBondContact O-CB 3.36Å; V150-L154 VanDerWaalsContact O-CG 3.24Å; V150-L154 WeakPolarHBondContact O-CG 3.48Å; V150-L154 PolarHBondContact O-N 3.05Å; L151-L154 PolarHBondContact O-N 3.35Å; E152-L154 VanDerWaalsContact C-N 3.3Å; E152-L154 PolarHBondContact O-N 3.34Å; L154-K158 VanDerWaalsContact O-CB 3.3Å; L154-K158 WeakPolarHBondContact O-CB 3.35Å; L154-K158 PolarHBondContact O-N 3.33Å; L154-K158 VanDerWaalsContact O-N 3.1Å
155	Q	96.1	Very high	93.5	Very high	119 Å²	119	109.3 Å²	109.3	56%	0.556	54%	0.538	S	S	*	.	H	α-helix	trans	-70.1	-45.4	173.6	-179	170.6	-34.3	0	0	111.4	L151 E152 L157 K158 E159	L151-Q155 PolarHBondContact O-N 3.41Å; E152-Q155 PolarHBondContact O-N 3.42Å; Q155-L157 PolarHBondContact O-N 2.88Å; Q155-K158 WeakPolarHBondContact O-CB 3.32Å; Q155-K158 PolarHBondContact O-N 3.35Å; Q155-K158 VanDerWaalsContact O-N 3.11Å; Q155-E159 HydrophobicContact CG-CG 4.37Å; Q155-E159 PolarHBondContact NE2-OE1 3.06Å; Q155-E159 PolarHBondContact O-N 2.93Å
156	E	95.9	Very high	92.6	Very high	137 Å²	137	111.6 Å²	111.6	64%	0.64	56%	0.555	S	S	*	*	H	α-helix	trans	-57.4	-47.7	175.7	-72	-165.5	167.5	0	0	111.4	E152 K158 E159 L160	E152-E156 PolarHBondContact O-N 3.1Å; E156-K158 VanDerWaalsContact C-N 3.28Å; E156-K158 PolarHBondContact O-N 2.81Å; E156-E159 PolarHBondContact O-N 3.13Å; E156-L160 VanDerWaalsContact O-CB 3.27Å; E156-L160 WeakPolarHBondContact O-CB 3.28Å; E156-L160 PolarHBondContact O-N 2.86Å
157	L	95.3	Very high	91.9	Very high	114 Å²	114	109 Å²	109	60%	0.597	55%	0.546	S	S	*	.	H	α-helix	trans	-57.3	-40.9	175	-79.5	166.2	0	0	0	112.3	N153 Q155 N161	N153-L157 WeakPolarHBondContact O-CB 3.36Å; N153-L157 WeakPolarHBondContact O-CG 3.48Å; N153-L157 PolarHBondContact O-N 3.22Å; Q155-L157 PolarHBondContact O-N 2.88Å; L157-N161 VanDerWaalsContact O-CB 3.23Å; L157-N161 WeakPolarHBondContact O-CB 3.37Å; L157-N161 PolarHBondContact O-N 3.34Å
158	K	94.8	Very high	91.3	Very high	135 Å²	135	107.7 Å²	107.7	59%	0.587	54%	0.543	S	S	*	.	H	α-helix	trans	-68.8	-43	178.4	-175.9	-177.8	178.9	-174.9	0	112	L154 Q155 E156 N161 Q162	L154-K158 VanDerWaalsContact O-CB 3.3Å; L154-K158 WeakPolarHBondContact O-CB 3.35Å; L154-K158 PolarHBondContact O-N 3.33Å; L154-K158 VanDerWaalsContact O-N 3.1Å; Q155-K158 WeakPolarHBondContact O-CB 3.32Å; Q155-K158 PolarHBondContact O-N 3.35Å; Q155-K158 VanDerWaalsContact O-N 3.11Å; E156-K158 VanDerWaalsContact C-N 3.28Å; E156-K158 PolarHBondContact O-N 2.81Å; K158-N161 PolarHBondContact O-N 3.44Å; K158-Q162 WeakPolarHBondContact O-CB 3.34Å; K158-Q162 VanDerWaalsContact O-CG 3.28Å; K158-Q162 WeakPolarHBondContact O-CG 2.9Å; K158-Q162 PolarHBondContact O-N 3.21Å
159	E	93.8	Very high	90.6	Very high	67 Å²	67	107.1 Å²	107.1	31%	0.313	54%	0.537	S	S	.	.	H	α-helix	trans	-66.2	-41.6	175.9	-74.7	-171.1	-146.6	0	0	112	Q155 E156 Q162 R163	Q155-E159 HydrophobicContact CG-CG 4.37Å; Q155-E159 PolarHBondContact NE2-OE1 3.06Å; Q155-E159 PolarHBondContact O-N 2.93Å; E156-E159 PolarHBondContact O-N 3.13Å; E159-Q162 PolarHBondContact O-N 2.91Å; E159-R163 VanDerWaalsContact O-CG 3.23Å; E159-R163 WeakPolarHBondContact O-CG 3.33Å; E159-R163 PolarHBondContact O-N 3.02Å; E159-R163 IonicContact OE2-CZ 2.74Å; E159-R163 IonicContact OE2-NH2 3.25Å; E159-R163 PolarHBondContact OE2-NH2 3.3Å
160	L	91.3	Very high	90	Very high	89 Å²	89	108.8 Å²	108.8	47%	0.466	55%	0.545	S	S	.	.	H	α-helix	trans	-61.4	-47	176.7	-155.9	172.9	0	0	0	109.9	E156 Q162 R163 Q164	E156-L160 VanDerWaalsContact O-CB 3.27Å; E156-L160 WeakPolarHBondContact O-CB 3.28Å; E156-L160 PolarHBondContact O-N 2.86Å; L160-Q162 PolarHBondContact O-N 3.36Å; L160-R163 PolarHBondContact O-N 2.84Å; L160-Q164 HydrophobicContact CD2-CG 3.87Å; L160-Q164 VanDerWaalsContact CD2-NE2 3.34Å; L160-Q164 WeakPolarHBondContact O-CB 3.36Å; L160-Q164 VanDerWaalsContact O-CG 3.32Å; L160-Q164 WeakPolarHBondContact O-CG 3.46Å; L160-Q164 PolarHBondContact O-N 3.22Å
161	N	88.6	Confident	89.5	Confident	106 Å²	106	106.3 Å²	106.3	57%	0.567	54%	0.535	S	S	*	.	H	α-helix	trans	-61.4	-42.8	174.8	-167.2	-28.6	0	0	0	112	L157 K158 R163 Q164 A165	L157-N161 VanDerWaalsContact O-CB 3.23Å; L157-N161 WeakPolarHBondContact O-CB 3.37Å; L157-N161 PolarHBondContact O-N 3.34Å; K158-N161 PolarHBondContact O-N 3.44Å; N161-R163 PolarHBondContact O-N 2.87Å; N161-Q164 CarbonylContact O-C 3.58Å; N161-Q164 PolarHBondContact O-N 2.98Å; N161-Q164 VanDerWaalsContact O-N 3.15Å; N161-A165 WeakPolarHBondContact O-CB 3.49Å; N161-A165 PolarHBondContact O-N 3.12Å
162	Q	89.3	Confident	88.9	Confident	116 Å²	116	104.3 Å²	104.3	54%	0.542	52%	0.523	S	S	.	.	H	α-helix	trans	-61.5	-40.4	174.6	-77.8	176.3	-9	0	0	113.2	K158 E159 L160 Q164 A165	K158-Q162 WeakPolarHBondContact O-CB 3.34Å; K158-Q162 VanDerWaalsContact O-CG 3.28Å; K158-Q162 WeakPolarHBondContact O-CG 2.9Å; K158-Q162 PolarHBondContact O-N 3.21Å; E159-Q162 PolarHBondContact O-N 2.91Å; L160-Q162 PolarHBondContact O-N 3.36Å; Q162-Q164 VanDerWaalsContact C-N 3.32Å; Q162-A165 PolarHBondContact O-N 2.83Å
163	R	86.1	Confident	88.6	Confident	168 Å²	168	102.2 Å²	102.2	63%	0.634	52%	0.515	S	S	*	.	H	α-helix	trans	-65.9	-36.8	174.3	-65.3	165.9	-156.6	-176.9	8.3	111.2	E159 L160 N161	E159-R163 VanDerWaalsContact O-CG 3.23Å; E159-R163 WeakPolarHBondContact O-CG 3.33Å; E159-R163 PolarHBondContact O-N 3.02Å; E159-R163 IonicContact OE2-CZ 2.74Å; E159-R163 IonicContact OE2-NH2 3.25Å; E159-R163 PolarHBondContact OE2-NH2 3.3Å; L160-R163 PolarHBondContact O-N 2.84Å; N161-R163 PolarHBondContact O-N 2.87Å
164	Q	83.9	Confident	88.2	Confident	84 Å²	84	100.9 Å²	100.9	39%	0.393	51%	0.508	S	S	.	.	H	α-helix	trans	-73.5	-30	177.4	-75.1	-176.3	-24.1	0	0	113.8	L160 N161 Q162 L166 V167 F169	L160-Q164 HydrophobicContact CD2-CG 3.87Å; L160-Q164 VanDerWaalsContact CD2-NE2 3.34Å; L160-Q164 WeakPolarHBondContact O-CB 3.36Å; L160-Q164 VanDerWaalsContact O-CG 3.32Å; L160-Q164 WeakPolarHBondContact O-CG 3.46Å; L160-Q164 PolarHBondContact O-N 3.22Å; N161-Q164 CarbonylContact O-C 3.58Å; N161-Q164 PolarHBondContact O-N 2.98Å; N161-Q164 VanDerWaalsContact O-N 3.15Å; Q162-Q164 VanDerWaalsContact C-N 3.32Å; Q164-L166 PolarHBondContact O-N 3.18Å; Q164-L166 VanDerWaalsContact O-N 3.09Å; Q164-V167 PolarHBondContact O-N 3.44Å; Q164-F169 HydrophobicContact CB-CE2 4Å; Q164-F169 HydrophobicContact CB-CZ 3.76Å; Q164-F169 HydrophobicContact CG-CZ 3.79Å; Q164-F169 WeakPolarHBondContact O-CE2 3.46Å
165	A	80.3	Confident	87.7	Confident	77 Å²	77	103.4 Å²	103.4	64%	0.636	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.4	-178.9	0	0	0	0	0	114.5	N161 Q162	N161-A165 WeakPolarHBondContact O-CB 3.49Å; N161-A165 PolarHBondContact O-N 3.12Å; Q162-A165 PolarHBondContact O-N 2.83Å
166	L	78.3	Confident	87.4	Confident	161 Å²	161	105.6 Å²	105.6	84%	0.843	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-2.4	173.5	-61.4	177.7	0	0	0	113.4	Q164	Q164-L166 PolarHBondContact O-N 3.18Å; Q164-L166 VanDerWaalsContact O-N 3.09Å
167	V	81.6	Confident	87.1	Confident	68 Å²	68	105.5 Å²	105.5	41%	0.412	51%	0.509	S	S	.	.	S	Bend	trans	-103.3	117.3	-178.1	-178	0	0	0	0	109.7	Q164 F169 M172	Q164-V167 PolarHBondContact O-N 3.44Å; V167-F169 HydrophobicContact CB-CE2 4.41Å; V167-F169 HydrophobicContact CB-CZ 4.39Å; V167-F169 HydrophobicContact CG1-CE1 4.44Å; V167-F169 VanDerWaalsContact O-CD2 3.26Å; V167-F169 WeakPolarHBondContact O-CD2 3.41Å; V167-F169 PolarHBondContact O-N 2.95Å; V167-M172 HydrophobicContact CG1-CE 4.11Å
168	D	83	Confident	86.9	Confident	97 Å²	97	104.5 Å²	104.5	52%	0.519	50%	0.501	S	S	.	.			trans	-70.9	96.7	168.6	171.8	21.5	0	0	0	110.3	E170 G171 M172	D168-E170 PolarHBondContact OD1-N 3Å; D168-G171 VanDerWaalsContact CG-N 3.35Å; D168-G171 PolarHBondContact OD1-N 2.83Å; D168-G171 VanDerWaalsContact OD2-CA 3.24Å; D168-G171 WeakPolarHBondContact OD2-CA 3.35Å; D168-G171 PolarHBondContact OD2-N 3.01Å; D168-M172 VanDerWaalsContact O-CB 3.28Å; D168-M172 WeakPolarHBondContact O-CB 3.44Å; D168-M172 PolarHBondContact O-N 3.11Å
169	F	83.3	Confident	86.7	Confident	92 Å²	92	102.5 Å²	102.5	40%	0.404	50%	0.496	S	S	.	.	H	α-helix	trans	-67.2	-34.4	175.6	-68.3	-77.5	0	0	0	113	Q164 V167 M172 I173	Q164-F169 HydrophobicContact CB-CE2 4Å; Q164-F169 HydrophobicContact CB-CZ 3.76Å; Q164-F169 HydrophobicContact CG-CZ 3.79Å; Q164-F169 WeakPolarHBondContact O-CE2 3.46Å; V167-F169 HydrophobicContact CB-CE2 4.41Å; V167-F169 HydrophobicContact CB-CZ 4.39Å; V167-F169 HydrophobicContact CG1-CE1 4.44Å; V167-F169 VanDerWaalsContact O-CD2 3.26Å; V167-F169 WeakPolarHBondContact O-CD2 3.41Å; V167-F169 PolarHBondContact O-N 2.95Å; F169-M172 HydrophobicContact CD1-CE 3.88Å; F169-M172 HydrophobicContact CE1-CE 4.33Å; F169-M172 PolarHBondContact O-N 3.36Å; F169-I173 WeakPolarHBondContact O-CB 3.2Å; F169-I173 WeakPolarHBondContact O-CD1 3.2Å; F169-I173 WeakPolarHBondContact O-CG1 3.08Å; F169-I173 PolarHBondContact O-N 2.75Å
170	E	83.9	Confident	86.5	Confident	143 Å²	143	103.7 Å²	103.7	67%	0.668	50%	0.502	S	S	*	.	H	α-helix	trans	-73.7	-50.7	-173.5	-169.5	154.9	-147.4	0	0	109.9	D168 M172 I173 D174	D168-E170 PolarHBondContact OD1-N 3Å; E170-M172 PolarHBondContact O-N 3.18Å; E170-I173 PolarHBondContact O-N 3.43Å; E170-I173 VanDerWaalsContact O-N 3.16Å; E170-D174 PolarHBondContact O-N 3.15Å
171	G	86.4	Confident	86.5	Confident	21 Å²	21	105.5 Å²	105.5	22%	0.216	51%	0.506	C	S	.	.	H	α-helix	trans	-66.2	-17.7	171.9	0	0	0	0	0	114	D168 R175	D168-G171 VanDerWaalsContact CG-N 3.35Å; D168-G171 PolarHBondContact OD1-N 2.83Å; D168-G171 VanDerWaalsContact OD2-CA 3.24Å; D168-G171 WeakPolarHBondContact OD2-CA 3.35Å; D168-G171 PolarHBondContact OD2-N 3.01Å; G171-R175 PolarHBondContact O-NE 3.44Å; G171-R175 PolarHBondContact O-NH2 3.25Å
172	M	84.4	Confident	86.5	Confident	74 Å²	74	106.6 Å²	106.6	37%	0.365	50%	0.502	S	S	.	.	H	α-helix	trans	-79.1	-44.2	168.9	-178.1	168.9	57.2	0	0	112	V167 D168 F169 E170 D174 R175 Y176	V167-M172 HydrophobicContact CG1-CE 4.11Å; D168-M172 VanDerWaalsContact O-CB 3.28Å; D168-M172 WeakPolarHBondContact O-CB 3.44Å; D168-M172 PolarHBondContact O-N 3.11Å; F169-M172 HydrophobicContact CD1-CE 3.88Å; F169-M172 HydrophobicContact CE1-CE 4.33Å; F169-M172 PolarHBondContact O-N 3.36Å; E170-M172 PolarHBondContact O-N 3.18Å; M172-D174 VanDerWaalsContact C-N 3.35Å; M172-D174 PolarHBondContact O-N 2.92Å; M172-R175 PolarHBondContact O-N 3.48Å; M172-Y176 HydrophobicContact CG-CD2 4.35Å; M172-Y176 HydrophobicContact CG-CE2 4.47Å; M172-Y176 PolarHBondContact O-N 3.24Å; M172-Y176 VanDerWaalsContact O-N 3.14Å
173	I	89.9	Confident	86.4	Confident	82 Å²	82	107 Å²	107	42%	0.421	50%	0.504	S	S	.	.	H	α-helix	trans	-61.4	-43	176.7	-74.5	163.7	0	0	0	110.7	F169 E170 Y176 R177	F169-I173 WeakPolarHBondContact O-CB 3.2Å; F169-I173 WeakPolarHBondContact O-CD1 3.2Å; F169-I173 WeakPolarHBondContact O-CG1 3.08Å; F169-I173 PolarHBondContact O-N 2.75Å; E170-I173 PolarHBondContact O-N 3.43Å; E170-I173 VanDerWaalsContact O-N 3.16Å; I173-Y176 PolarHBondContact O-N 3.44Å; I173-R177 HydrophobicContact CG2-CG 4.45Å; I173-R177 VanDerWaalsContact CG2-CZ 3.48Å; I173-R177 WeakPolarHBondContact O-CG 3.24Å; I173-R177 PolarHBondContact O-N 2.93Å
174	D	89	Confident	86.5	Confident	68 Å²	68	104 Å²	104	36%	0.364	49%	0.492	S	S	.	.	H	α-helix	trans	-69.6	-34	179.8	-77.2	-21.3	0	0	0	112.9	E170 M172 Y176 R177 E178	E170-D174 PolarHBondContact O-N 3.15Å; M172-D174 VanDerWaalsContact C-N 3.35Å; M172-D174 PolarHBondContact O-N 2.92Å; D174-Y176 VanDerWaalsContact C-N 3.34Å; D174-Y176 PolarHBondContact O-N 3.41Å; D174-R177 PolarHBondContact O-N 2.88Å; D174-R177 VanDerWaalsContact OD1-CD 3.23Å; D174-R177 WeakPolarHBondContact OD1-CD 2.96Å; D174-R177 IonicContact OD1-CZ 3.65Å; D174-R177 IonicContact OD1-NE 3.67Å; D174-R177 IonicContact OD1-NH1 2.7Å; D174-R177 PolarHBondContact OD1-NH1 3.39Å; D174-E178 WeakPolarHBondContact O-CB 3.14Å; D174-E178 PolarHBondContact O-N 2.95Å
175	R	87.3	Confident	86.7	Confident	154 Å²	154	105.6 Å²	105.6	58%	0.581	50%	0.5	S	S	*	.	H	α-helix	trans	-62.1	-38.9	169.5	-85.6	176.8	-76.6	-177.5	-5.3	112.5	G171 M172 E178 L179	G171-R175 PolarHBondContact O-NE 3.44Å; G171-R175 PolarHBondContact O-NH2 3.25Å; M172-R175 PolarHBondContact O-N 3.48Å; R175-E178 PolarHBondContact O-N 3.3Å; R175-L179 WeakPolarHBondContact O-CG 3.31Å; R175-L179 PolarHBondContact O-N 2.7Å; R175-L179 VanDerWaalsContact O-N 3.09Å
176	Y	88.8	Confident	87	Confident	165 Å²	165	109 Å²	109	65%	0.647	50%	0.496	S	S	*	.	H	α-helix	trans	-66.2	-46.2	173	-93.4	-78.4	0	0	0	112.3	M172 I173 D174 E178 L179 E180	M172-Y176 HydrophobicContact CG-CD2 4.35Å; M172-Y176 HydrophobicContact CG-CE2 4.47Å; M172-Y176 PolarHBondContact O-N 3.24Å; M172-Y176 VanDerWaalsContact O-N 3.14Å; I173-Y176 PolarHBondContact O-N 3.44Å; D174-Y176 VanDerWaalsContact C-N 3.34Å; D174-Y176 PolarHBondContact O-N 3.41Å; Y176-E178 PolarHBondContact O-N 2.95Å; Y176-L179 PolarHBondContact O-N 3.39Å; Y176-L179 VanDerWaalsContact O-N 3.17Å; Y176-E180 WeakPolarHBondContact O-CB 3.21Å; Y176-E180 PolarHBondContact O-N 2.97Å
177	R	90.3	Very high	87.4	Confident	135 Å²	135	107 Å²	107	51%	0.509	48%	0.482	S	S	.	.	H	α-helix	trans	-59.3	-34.9	175.3	-71.5	164.2	169.4	167.4	-0.1	112.7	I173 D174 K181	I173-R177 HydrophobicContact CG2-CG 4.45Å; I173-R177 VanDerWaalsContact CG2-CZ 3.48Å; I173-R177 WeakPolarHBondContact O-CG 3.24Å; I173-R177 PolarHBondContact O-N 2.93Å; D174-R177 PolarHBondContact O-N 2.88Å; D174-R177 VanDerWaalsContact OD1-CD 3.23Å; D174-R177 WeakPolarHBondContact OD1-CD 2.96Å; D174-R177 IonicContact OD1-CZ 3.65Å; D174-R177 IonicContact OD1-NE 3.67Å; D174-R177 IonicContact OD1-NH1 2.7Å; D174-R177 PolarHBondContact OD1-NH1 3.39Å; R177-K181 WeakPolarHBondContact O-CB 3.34Å; R177-K181 VanDerWaalsContact O-CG 3.28Å; R177-K181 WeakPolarHBondContact O-CG 3.48Å; R177-K181 PolarHBondContact O-N 3.28Å; R177-K181 VanDerWaalsContact O-N 3.07Å
178	E	90.6	Very high	87.6	Confident	93 Å²	93	109 Å²	109	44%	0.435	49%	0.486	S	S	.	.	H	α-helix	trans	-69.8	-39.6	175.4	-96.1	-161.1	-142.7	0	0	113.2	D174 R175 Y176 R182	D174-E178 WeakPolarHBondContact O-CB 3.14Å; D174-E178 PolarHBondContact O-N 2.95Å; R175-E178 PolarHBondContact O-N 3.3Å; Y176-E178 PolarHBondContact O-N 2.95Å; E178-R182 WeakPolarHBondContact O-CG 3.4Å; E178-R182 PolarHBondContact O-N 3.34Å; E178-R182 VanDerWaalsContact O-N 3.13Å; E178-R182 IonicContact OE2-CZ 2.7Å; E178-R182 VanDerWaalsContact OE2-CZ 3.25Å; E178-R182 IonicContact OE2-NH1 3.45Å; E178-R182 PolarHBondContact OE2-NH1 3.03Å; E178-R182 IonicContact OE2-NH2 3.18Å; E178-R182 PolarHBondContact OE2-NH2 2.76Å
179	L	90.4	Very high	87.8	Confident	92 Å²	92	108.9 Å²	108.9	48%	0.482	48%	0.482	S	S	.	.	H	α-helix	trans	-66.8	-47.9	174.1	-72.2	167.4	0	0	0	110.7	R175 Y176 K181 R182 E183	R175-L179 WeakPolarHBondContact O-CG 3.31Å; R175-L179 PolarHBondContact O-N 2.7Å; R175-L179 VanDerWaalsContact O-N 3.09Å; Y176-L179 PolarHBondContact O-N 3.39Å; Y176-L179 VanDerWaalsContact O-N 3.17Å; L179-K181 PolarHBondContact O-N 2.72Å; L179-R182 PolarHBondContact O-N 3.26Å; L179-E183 PolarHBondContact O-N 3.03Å
180	E	90.2	Very high	87.9	Confident	93 Å²	93	108.9 Å²	108.9	44%	0.435	48%	0.483	S	S	.	.	H	α-helix	trans	-61.2	-27.1	177.7	-161.4	-150.7	136.1	0	0	112.9	Y176 R184	Y176-E180 WeakPolarHBondContact O-CB 3.21Å; Y176-E180 PolarHBondContact O-N 2.97Å; E180-R184 WeakPolarHBondContact O-CB 3.21Å; E180-R184 PolarHBondContact O-N 2.74Å; E180-R184 PolarHBondContact O-NH1 2.73Å; E180-R184 IonicContact OE1-CZ 2.66Å; E180-R184 IonicContact OE1-NH1 3.48Å; E180-R184 PolarHBondContact OE1-NH1 2.78Å; E180-R184 IonicContact OE1-NH2 3.98Å; E180-R184 PolarHBondContact OE1-NH2 2.76Å
181	K	90.4	Very high	88	Confident	126 Å²	126	106.9 Å²	106.9	55%	0.548	48%	0.477	S	S	.	.	H	α-helix	trans	-72.2	-50	168.7	-81.1	174.2	179.8	178.7	0	111.9	R177 L179 E183 R184 E185	R177-K181 WeakPolarHBondContact O-CB 3.34Å; R177-K181 VanDerWaalsContact O-CG 3.28Å; R177-K181 WeakPolarHBondContact O-CG 3.48Å; R177-K181 PolarHBondContact O-N 3.28Å; R177-K181 VanDerWaalsContact O-N 3.07Å; L179-K181 PolarHBondContact O-N 2.72Å; K181-E183 VanDerWaalsContact C-N 3.34Å; K181-E183 PolarHBondContact O-N 2.97Å; K181-R184 CarbonylContact O-C 3.27Å; K181-R184 PolarHBondContact O-N 2.79Å; K181-E185 WeakPolarHBondContact O-CB 3.45Å; K181-E185 VanDerWaalsContact O-CG 3.26Å; K181-E185 WeakPolarHBondContact O-CG 3.45Å; K181-E185 PolarHBondContact O-N 3.45Å
182	R	89	Confident	87.9	Confident	130 Å²	130	112.1 Å²	112.1	49%	0.491	50%	0.496	S	S	.	.	H	α-helix	trans	-63.6	-37.4	-179.1	-71.8	-178.7	-172.8	98.6	3.7	112.7	E178 L179 E185 R186	E178-R182 WeakPolarHBondContact O-CG 3.4Å; E178-R182 PolarHBondContact O-N 3.34Å; E178-R182 VanDerWaalsContact O-N 3.13Å; E178-R182 IonicContact OE2-CZ 2.7Å; E178-R182 VanDerWaalsContact OE2-CZ 3.25Å; E178-R182 IonicContact OE2-NH1 3.45Å; E178-R182 PolarHBondContact OE2-NH1 3.03Å; E178-R182 IonicContact OE2-NH2 3.18Å; E178-R182 PolarHBondContact OE2-NH2 2.76Å; L179-R182 PolarHBondContact O-N 3.26Å; R182-E185 PolarHBondContact O-N 3.03Å; R182-R186 WeakPolarHBondContact O-CG 3.39Å; R182-R186 PolarHBondContact O-N 2.67Å
183	E	87.5	Confident	88	Confident	123 Å²	123	115.6 Å²	115.6	58%	0.575	51%	0.505	S	S	*	.	H	α-helix	trans	-64.3	-50.4	173.9	-71.1	177.4	150.6	0	0	110.2	L179 K181 E185 R186 E187	L179-E183 PolarHBondContact O-N 3.03Å; K181-E183 VanDerWaalsContact C-N 3.34Å; K181-E183 PolarHBondContact O-N 2.97Å; E183-E185 VanDerWaalsContact C-N 3.27Å; E183-E185 PolarHBondContact O-N 2.84Å; E183-R186 WeakPolarHBondContact O-CB 3.36Å; E183-R186 PolarHBondContact O-N 2.76Å; E183-E187 WeakPolarHBondContact O-CG 3.22Å; E183-E187 PolarHBondContact O-N 3.09Å
184	R	87.1	Confident	87.7	Confident	105 Å²	105	118 Å²	118	40%	0.396	52%	0.515	S	S	.	.	H	α-helix	trans	-64.6	-24.9	176.3	-174.6	175.9	-67.9	119.4	-10.8	114.5	E180 K181 K188	E180-R184 WeakPolarHBondContact O-CB 3.21Å; E180-R184 PolarHBondContact O-N 2.74Å; E180-R184 PolarHBondContact O-NH1 2.73Å; E180-R184 IonicContact OE1-CZ 2.66Å; E180-R184 IonicContact OE1-NH1 3.48Å; E180-R184 PolarHBondContact OE1-NH1 2.78Å; E180-R184 IonicContact OE1-NH2 3.98Å; E180-R184 PolarHBondContact OE1-NH2 2.76Å; K181-R184 CarbonylContact O-C 3.27Å; K181-R184 PolarHBondContact O-N 2.79Å; R184-K188 WeakPolarHBondContact O-CD 3.29Å; R184-K188 WeakPolarHBondContact O-CG 3.36Å; R184-K188 PolarHBondContact O-N 2.84Å
185	E	88.4	Confident	87.3	Confident	118 Å²	118	118.2 Å²	118.2	55%	0.551	52%	0.518	S	S	*	.	H	α-helix	trans	-75.9	-38.4	172.1	-77.6	162.8	-174.3	0	0	110.9	K181 R182 E183 E189	K181-E185 WeakPolarHBondContact O-CB 3.45Å; K181-E185 VanDerWaalsContact O-CG 3.26Å; K181-E185 WeakPolarHBondContact O-CG 3.45Å; K181-E185 PolarHBondContact O-N 3.45Å; R182-E185 PolarHBondContact O-N 3.03Å; E183-E185 VanDerWaalsContact C-N 3.27Å; E183-E185 PolarHBondContact O-N 2.84Å; E185-E189 PolarHBondContact O-N 3.43Å
186	R	86.7	Confident	86.9	Confident	149 Å²	149	115 Å²	115	56%	0.562	52%	0.516	S	S	*	.	H	α-helix	trans	-69.8	-43.2	173.2	-78.7	-171.1	58.3	-138.3	-17	113.5	R182 E183 K188 E189 E190	R182-R186 WeakPolarHBondContact O-CG 3.39Å; R182-R186 PolarHBondContact O-N 2.67Å; E183-R186 WeakPolarHBondContact O-CB 3.36Å; E183-R186 PolarHBondContact O-N 2.76Å; R186-K188 VanDerWaalsContact C-N 3.25Å; R186-K188 PolarHBondContact O-N 3.34Å; R186-E189 PolarHBondContact O-N 2.89Å; R186-E189 VanDerWaalsContact O-N 3.11Å; R186-E190 IonicContact CZ-OE1 2.7Å; R186-E190 IonicContact NE-OE1 3.3Å; R186-E190 PolarHBondContact NE-OE1 2.81Å; R186-E190 IonicContact NH2-OE1 3.28Å; R186-E190 PolarHBondContact NH2-OE1 3.27Å; R186-E190 IonicContact NH2-OE2 3.43Å; R186-E190 WeakPolarHBondContact O-CB 3.21Å; R186-E190 WeakPolarHBondContact O-CG 3.18Å; R186-E190 PolarHBondContact O-N 3.29Å
187	E	86.4	Confident	86.6	Confident	118 Å²	118	111.6 Å²	111.6	55%	0.551	51%	0.506	S	S	*	.	H	α-helix	trans	-54.7	-44.9	173.7	-72.6	174.3	152.6	0	0	110.4	E183 E190 D191	E183-E187 WeakPolarHBondContact O-CG 3.22Å; E183-E187 PolarHBondContact O-N 3.09Å; E187-E190 PolarHBondContact O-N 3.21Å; E187-D191 WeakPolarHBondContact O-CB 3.45Å; E187-D191 PolarHBondContact O-N 2.73Å
188	K	85.9	Confident	86	Confident	110 Å²	110	110.7 Å²	110.7	48%	0.478	51%	0.509	S	S	.	.	H	α-helix	trans	-65.2	-40.3	174.5	-73.4	170.3	-174.7	176.9	0	113.7	R184 R186 E190 D191 E192	R184-K188 WeakPolarHBondContact O-CD 3.29Å; R184-K188 WeakPolarHBondContact O-CG 3.36Å; R184-K188 PolarHBondContact O-N 2.84Å; R186-K188 VanDerWaalsContact C-N 3.25Å; R186-K188 PolarHBondContact O-N 3.34Å; K188-E190 VanDerWaalsContact C-N 3.28Å; K188-E190 PolarHBondContact O-N 2.92Å; K188-D191 PolarHBondContact O-N 2.85Å; K188-E192 VanDerWaalsContact O-CB 3.28Å; K188-E192 WeakPolarHBondContact O-CB 3.2Å; K188-E192 VanDerWaalsContact O-CG 3.29Å; K188-E192 WeakPolarHBondContact O-CG 3.32Å; K188-E192 PolarHBondContact O-N 3.16Å
189	E	87.3	Confident	85.3	Confident	95 Å²	95	111.4 Å²	111.4	44%	0.444	52%	0.515	S	S	.	.	H	α-helix	trans	-66.4	-35.9	177.6	-156.9	-167.3	150.4	0	0	110.8	E185 R186 R193	E185-E189 PolarHBondContact O-N 3.43Å; R186-E189 PolarHBondContact O-N 2.89Å; R186-E189 VanDerWaalsContact O-N 3.11Å; E189-R193 WeakPolarHBondContact O-CB 3.09Å; E189-R193 WeakPolarHBondContact O-CD 3.11Å; E189-R193 WeakPolarHBondContact O-CG 3.44Å; E189-R193 PolarHBondContact O-N 2.78Å; E189-R193 IonicContact OE1-CZ 2.77Å; E189-R193 VanDerWaalsContact OE1-CZ 3.3Å; E189-R193 IonicContact OE1-NE 3.13Å; E189-R193 PolarHBondContact OE1-NE 2.83Å; E189-R193 VanDerWaalsContact OE1-NE 3.13Å; E189-R193 IonicContact OE1-NH2 3.39Å; E189-R193 PolarHBondContact OE1-NH2 3.04Å
190	E	86.8	Confident	84.6	Confident	93 Å²	93	113.4 Å²	113.4	44%	0.435	52%	0.522	S	S	.	.	H	α-helix	trans	-70.1	-43	175.1	-70.4	166.9	-152.8	0	0	110.9	R186 E187 K188 R193 E194	R186-E190 IonicContact CZ-OE1 2.7Å; R186-E190 IonicContact NE-OE1 3.3Å; R186-E190 PolarHBondContact NE-OE1 2.81Å; R186-E190 IonicContact NH2-OE1 3.28Å; R186-E190 PolarHBondContact NH2-OE1 3.27Å; R186-E190 IonicContact NH2-OE2 3.43Å; R186-E190 WeakPolarHBondContact O-CB 3.21Å; R186-E190 WeakPolarHBondContact O-CG 3.18Å; R186-E190 PolarHBondContact O-N 3.29Å; E187-E190 PolarHBondContact O-N 3.21Å; K188-E190 VanDerWaalsContact C-N 3.28Å; K188-E190 PolarHBondContact O-N 2.92Å; E190-R193 PolarHBondContact O-N 2.96Å; E190-E194 PolarHBondContact O-N 3.29Å
191	D	84.8	Confident	83.5	Confident	100 Å²	100	116.1 Å²	116.1	54%	0.535	53%	0.528	S	S	.	.	H	α-helix	trans	-59.7	-44	169.4	-79.7	-27	0	0	0	112.5	E187 K188 R193 E194 T195	E187-D191 WeakPolarHBondContact O-CB 3.45Å; E187-D191 PolarHBondContact O-N 2.73Å; K188-D191 PolarHBondContact O-N 2.85Å; D191-R193 VanDerWaalsContact C-N 3.31Å; D191-R193 PolarHBondContact O-N 3.45Å; D191-E194 PolarHBondContact O-N 3.14Å; D191-T195 WeakPolarHBondContact O-CB 3.47Å; D191-T195 WeakPolarHBondContact O-CG2 3.35Å; D191-T195 PolarHBondContact O-N 2.96Å; D191-T195 PolarHBondContact O-OG1 2.67Å
192	E	85.7	Confident	82.5	Confident	131 Å²	131	113.2 Å²	113.2	61%	0.612	52%	0.521	S	S	*	.	H	α-helix	trans	-66.2	-33.9	178	-78.3	179.2	-165.9	0	0	111.3	K188 T195 T196	K188-E192 VanDerWaalsContact O-CB 3.28Å; K188-E192 WeakPolarHBondContact O-CB 3.2Å; K188-E192 VanDerWaalsContact O-CG 3.29Å; K188-E192 WeakPolarHBondContact O-CG 3.32Å; K188-E192 PolarHBondContact O-N 3.16Å; E192-T195 WeakPolarHBondContact CA-OG1 3.24Å; E192-T195 PolarHBondContact O-OG1 3.13Å; E192-T196 WeakPolarHBondContact O-CB 3.36Å; E192-T196 VanDerWaalsContact O-CG2 3.28Å; E192-T196 WeakPolarHBondContact O-CG2 3.47Å; E192-T196 PolarHBondContact O-N 2.65Å; E192-T196 PolarHBondContact O-OG1 2.75Å
193	R	84.8	Confident	81.1	Confident	148 Å²	148	111.6 Å²	111.6	56%	0.558	52%	0.522	S	S	*	.	H	α-helix	trans	-69.6	-48.2	171.8	-72	158.3	178.5	-110.2	6.1	111.7	E189 E190 D191 T195 T196 E197	E189-R193 WeakPolarHBondContact O-CB 3.09Å; E189-R193 WeakPolarHBondContact O-CD 3.11Å; E189-R193 WeakPolarHBondContact O-CG 3.44Å; E189-R193 PolarHBondContact O-N 2.78Å; E189-R193 IonicContact OE1-CZ 2.77Å; E189-R193 VanDerWaalsContact OE1-CZ 3.3Å; E189-R193 IonicContact OE1-NE 3.13Å; E189-R193 PolarHBondContact OE1-NE 2.83Å; E189-R193 VanDerWaalsContact OE1-NE 3.13Å; E189-R193 IonicContact OE1-NH2 3.39Å; E189-R193 PolarHBondContact OE1-NH2 3.04Å; E190-R193 PolarHBondContact O-N 2.96Å; D191-R193 VanDerWaalsContact C-N 3.31Å; D191-R193 PolarHBondContact O-N 3.45Å; R193-T195 PolarHBondContact O-N 3.22Å; R193-T196 WeakPolarHBondContact CA-OG1 3.42Å; R193-T196 PolarHBondContact O-N 2.85Å; R193-T196 PolarHBondContact O-OG1 2.84Å; R193-T196 VanDerWaalsContact O-OG1 3.07Å; R193-E197 WeakPolarHBondContact O-CG 3.31Å; R193-E197 PolarHBondContact O-N 2.89Å
194	E	84.4	Confident	79.7	Confident	133 Å²	133	110.3 Å²	110.3	62%	0.621	52%	0.522	S	S	*	.	H	α-helix	trans	-64.2	-40.3	178.5	-73.7	-159.3	-178.6	0	0	112.3	E190 D191 M198	E190-E194 PolarHBondContact O-N 3.29Å; D191-E194 PolarHBondContact O-N 3.14Å; E194-M198 VanDerWaalsContact O-CB 3.27Å; E194-M198 WeakPolarHBondContact O-CB 3.32Å; E194-M198 PolarHBondContact O-N 3.48Å
195	T	79.6	Confident	78.3	Confident	72 Å²	72	112.1 Å²	112.1	44%	0.442	53%	0.533	S	S	.	.	H	α-helix	trans	-70.3	-37.3	176.8	53.1	0	0	0	0	112.5	D191 E192 R193 M198 L199	D191-T195 WeakPolarHBondContact O-CB 3.47Å; D191-T195 WeakPolarHBondContact O-CG2 3.35Å; D191-T195 PolarHBondContact O-N 2.96Å; D191-T195 PolarHBondContact O-OG1 2.67Å; E192-T195 WeakPolarHBondContact CA-OG1 3.24Å; E192-T195 PolarHBondContact O-OG1 3.13Å; R193-T195 PolarHBondContact O-N 3.22Å; T195-M198 PolarHBondContact O-N 3.33Å; T195-L199 WeakPolarHBondContact O-CB 3.18Å; T195-L199 WeakPolarHBondContact O-CG 3.27Å; T195-L199 PolarHBondContact O-N 3.26Å
196	T	80.7	Confident	76.6	Confident	85 Å²	85	114 Å²	114	52%	0.521	54%	0.535	S	S	.	.	H	α-helix	trans	-67.8	-42.2	173	48.5	0	0	0	0	112.2	E192 R193 M198 L199 E200	E192-T196 WeakPolarHBondContact O-CB 3.36Å; E192-T196 VanDerWaalsContact O-CG2 3.28Å; E192-T196 WeakPolarHBondContact O-CG2 3.47Å; E192-T196 PolarHBondContact O-N 2.65Å; E192-T196 PolarHBondContact O-OG1 2.75Å; R193-T196 WeakPolarHBondContact CA-OG1 3.42Å; R193-T196 PolarHBondContact O-N 2.85Å; R193-T196 PolarHBondContact O-OG1 2.84Å; R193-T196 VanDerWaalsContact O-OG1 3.07Å; T196-M198 VanDerWaalsContact C-N 3.33Å; T196-M198 PolarHBondContact O-N 2.97Å; T196-L199 PolarHBondContact O-N 2.85Å; T196-E200 WeakPolarHBondContact O-CB 3.16Å; T196-E200 PolarHBondContact O-N 2.91Å
197	E	81.8	Confident	74.8	Confident	94 Å²	94	114.3 Å²	114.3	44%	0.439	55%	0.547	S	S	.	.	H	α-helix	trans	-61	-40	171.2	-74.3	-166.2	168	0	0	112.2	R193 E200 R201	R193-E197 WeakPolarHBondContact O-CG 3.31Å; R193-E197 PolarHBondContact O-N 2.89Å; E197-E200 PolarHBondContact O-N 3.37Å; E197-R201 WeakPolarHBondContact O-CB 3.03Å; E197-R201 WeakPolarHBondContact O-CD 3.47Å; E197-R201 WeakPolarHBondContact O-CG 3.46Å; E197-R201 PolarHBondContact O-N 2.93Å; E197-R201 IonicContact OE1-NH2 3.99Å; E197-R201 IonicContact OE2-CZ 3.12Å; E197-R201 IonicContact OE2-NH1 2.82Å; E197-R201 PolarHBondContact OE2-NH1 3.36Å; E197-R201 IonicContact OE2-NH2 2.65Å; E197-R201 PolarHBondContact OE2-NH2 3.42Å
198	M	77.8	Confident	73	Confident	117 Å²	117	118.9 Å²	118.9	58%	0.576	56%	0.559	S	S	*	*	H	α-helix	trans	-66.7	-42	177.7	-166.4	-172.9	-55.6	0	0	111.3	E194 T195 T196 R201 V202	E194-M198 VanDerWaalsContact O-CB 3.27Å; E194-M198 WeakPolarHBondContact O-CB 3.32Å; E194-M198 PolarHBondContact O-N 3.48Å; T195-M198 PolarHBondContact O-N 3.33Å; T196-M198 VanDerWaalsContact C-N 3.33Å; T196-M198 PolarHBondContact O-N 2.97Å; M198-R201 PolarHBondContact O-N 2.99Å; M198-V202 WeakPolarHBondContact O-CB 3.25Å; M198-V202 VanDerWaalsContact O-CG2 3.27Å; M198-V202 WeakPolarHBondContact O-CG2 3.5Å; M198-V202 PolarHBondContact O-N 3.42Å
199	L	75.9	Confident	71	Confident	108 Å²	108	119.2 Å²	119.2	57%	0.565	57%	0.566	S	S	*	*	H	α-helix	trans	-64.4	-40.5	174.7	-74.7	168.2	0	0	0	111.8	T195 T196 V202 L203	T195-L199 WeakPolarHBondContact O-CB 3.18Å; T195-L199 WeakPolarHBondContact O-CG 3.27Å; T195-L199 PolarHBondContact O-N 3.26Å; T196-L199 PolarHBondContact O-N 2.85Å; L199-V202 PolarHBondContact O-N 2.86Å; L199-L203 WeakPolarHBondContact O-CB 3.28Å; L199-L203 WeakPolarHBondContact O-CG 3.15Å; L199-L203 PolarHBondContact O-N 2.99Å
200	E	74.4	Confident	68.7	Low	133 Å²	133	119 Å²	119	62%	0.621	57%	0.574	S	S	*	*	H	α-helix	trans	-65.8	-44.8	175.5	-170.3	174.9	-127.1	0	0	111.3	T196 E197 V202 L203 V204	T196-E200 WeakPolarHBondContact O-CB 3.16Å; T196-E200 PolarHBondContact O-N 2.91Å; E197-E200 PolarHBondContact O-N 3.37Å; E200-V202 VanDerWaalsContact C-N 3.27Å; E200-V202 PolarHBondContact O-N 3.39Å; E200-L203 PolarHBondContact O-N 2.71Å; E200-L203 VanDerWaalsContact O-N 3.16Å; E200-V204 WeakPolarHBondContact O-CB 3.35Å; E200-V204 WeakPolarHBondContact O-CG2 3.48Å; E200-V204 PolarHBondContact O-N 2.81Å
201	R	68.3	Low	66.3	Low	151 Å²	151	122.9 Å²	122.9	57%	0.57	60%	0.598	S	S	*	*	H	α-helix	trans	-58.5	-37	172.3	-72.2	164.6	-177.7	137	10	112.2	E197 M198 K205	E197-R201 WeakPolarHBondContact O-CB 3.03Å; E197-R201 WeakPolarHBondContact O-CD 3.47Å; E197-R201 WeakPolarHBondContact O-CG 3.46Å; E197-R201 PolarHBondContact O-N 2.93Å; E197-R201 IonicContact OE1-NH2 3.99Å; E197-R201 IonicContact OE2-CZ 3.12Å; E197-R201 IonicContact OE2-NH1 2.82Å; E197-R201 PolarHBondContact OE2-NH1 3.36Å; E197-R201 IonicContact OE2-NH2 2.65Å; E197-R201 PolarHBondContact OE2-NH2 3.42Å; M198-R201 PolarHBondContact O-N 2.99Å; R201-K205 PolarHBondContact O-N 3.03Å
202	V	68.8	Low	63.9	Low	65 Å²	65	123.4 Å²	123.4	39%	0.394	61%	0.61	S	S	.	*	H	α-helix	trans	-72.4	-38	175.4	165.5	0	0	0	0	112	M198 L199 E200 K205 R206	M198-V202 WeakPolarHBondContact O-CB 3.25Å; M198-V202 VanDerWaalsContact O-CG2 3.27Å; M198-V202 WeakPolarHBondContact O-CG2 3.5Å; M198-V202 PolarHBondContact O-N 3.42Å; L199-V202 PolarHBondContact O-N 2.86Å; E200-V202 VanDerWaalsContact C-N 3.27Å; E200-V202 PolarHBondContact O-N 3.39Å; V202-K205 PolarHBondContact O-N 3.04Å; V202-R206 WeakPolarHBondContact O-CB 3.06Å; V202-R206 PolarHBondContact O-N 3.14Å
203	L	59.6	Low	61.5	Low	96 Å²	96	125 Å²	125	50%	0.503	62%	0.623	S	S	.	*	H	α-helix	trans	-65.2	-44.9	173.8	-77	163.8	0	0	0	111.4	L199 E200 K205 R206 L207	L199-L203 WeakPolarHBondContact O-CB 3.28Å; L199-L203 WeakPolarHBondContact O-CG 3.15Å; L199-L203 PolarHBondContact O-N 2.99Å; E200-L203 PolarHBondContact O-N 2.71Å; E200-L203 VanDerWaalsContact O-N 3.16Å; L203-K205 VanDerWaalsContact C-N 3.31Å; L203-K205 PolarHBondContact O-N 3.06Å; L203-R206 CarbonylContact O-C 3.58Å; L203-R206 PolarHBondContact O-N 2.96Å; L203-R206 VanDerWaalsContact O-N 3.13Å; L203-L207 WeakPolarHBondContact O-CD1 3.13Å; L203-L207 PolarHBondContact O-N 2.96Å
204	V	59.6	Low	58.8	Low	95 Å²	95	122.3 Å²	122.3	58%	0.576	63%	0.626	S	S	*	*	H	α-helix	trans	-63.1	-35.5	175.1	171.4	0	0	0	0	111.7	E200 R208	E200-V204 WeakPolarHBondContact O-CB 3.35Å; E200-V204 WeakPolarHBondContact O-CG2 3.48Å; E200-V204 PolarHBondContact O-N 2.81Å; V204-R208 PolarHBondContact O-N 3.23Å
205	K	55.8	Low	56.4	Low	144 Å²	144	122.8 Å²	122.8	63%	0.626	63%	0.633	S	S	*	*	H	α-helix	trans	-66.8	-43.4	169.6	-103.2	-179.4	170.7	-179.8	0	112.7	R201 V202 L203 L207 R208 D209	R201-K205 PolarHBondContact O-N 3.03Å; V202-K205 PolarHBondContact O-N 3.04Å; L203-K205 VanDerWaalsContact C-N 3.31Å; L203-K205 PolarHBondContact O-N 3.06Å; K205-L207 PolarHBondContact O-N 3.15Å; K205-R208 WeakPolarHBondContact O-CA 3.26Å; K205-R208 WeakPolarHBondContact O-CB 3.41Å; K205-R208 PolarHBondContact O-N 3.07Å; K205-D209 PolarHBondContact O-N 3.48Å; K205-D209 VanDerWaalsContact O-N 3.07Å
206	R	54.5	Low	54.1	Low	158 Å²	158	131.5 Å²	131.5	60%	0.596	66%	0.658	S	S	*	*	H	α-helix	trans	-65.5	-26.3	177.7	-167.6	175.8	-76.1	125.8	-7.3	112.7	V202 L203 R208	V202-R206 WeakPolarHBondContact O-CB 3.06Å; V202-R206 PolarHBondContact O-N 3.14Å; L203-R206 CarbonylContact O-C 3.58Å; L203-R206 PolarHBondContact O-N 2.96Å; L203-R206 VanDerWaalsContact O-N 3.13Å; R206-R208 VanDerWaalsContact C-N 3.29Å
207	L	48.7	Very low	52	Low	155 Å²	155	136.1 Å²	136.1	81%	0.812	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-9.6	167.7	-98.5	83.7	0	0	0	114.5	L203 K205	L203-L207 WeakPolarHBondContact O-CD1 3.13Å; L203-L207 PolarHBondContact O-N 2.96Å; K205-L207 PolarHBondContact O-N 3.15Å
208	R	47.1	Very low	49.6	Very low	213 Å²	213	139.8 Å²	139.8	80%	0.804	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-24.9	-177.7	-161.6	171.6	-171.5	160.2	3.3	113.5	V204 K205 R206	V204-R208 PolarHBondContact O-N 3.23Å; K205-R208 WeakPolarHBondContact O-CA 3.26Å; K205-R208 WeakPolarHBondContact O-CB 3.41Å; K205-R208 PolarHBondContact O-N 3.07Å; R206-R208 VanDerWaalsContact C-N 3.29Å
209	D	45.2	Very low	47.4	Very low	117 Å²	117	142.4 Å²	142.4	63%	0.626	70%	0.702	S	S	*	*	S	Bend	trans	-116.7	43.6	-173.5	-59	-36.7	0	0	0	112.2	K205	K205-D209 PolarHBondContact O-N 3.48Å; K205-D209 VanDerWaalsContact O-N 3.07Å
210	S	39.3	Very low	45.2	Very low	90 Å²	90	143.1 Å²	143.1	63%	0.629	72%	0.716	S	S	*	*			trans	-148.5	29.5	178.2	-72.4	0	0	0	0	116.3
211	D	36	Very low	43.4	Very low	175 Å²	175	142 Å²	142	94%	0.936	72%	0.723	S	S	*	*			trans	-99.5	69.3	156.1	-81	-44.4	0	0	0	109.2
212	S	33.8	Very low	41.6	Very low	111 Å²	111	140.7 Å²	140.7	78%	0.776	74%	0.737	S	S	*	*			trans	-160.9	66	-179.3	-173.5	0	0	0	0	115.2
213	D	35.4	Very low	40.3	Very low	165 Å²	165	147 Å²	147	88%	0.882	76%	0.762	S	S	*	*			trans	58	137.6	149.6	-91.6	-40.1	0	0	0	125.4
214	S	28.9	Very low	39.2	Very low	91 Å²	91	148 Å²	148	64%	0.636	78%	0.777	S	S	*	*			trans	71.8	103.5	141	-162.9	0	0	0	0	122.8
215	D	33.5	Very low	38.4	Very low	144 Å²	144	153.5 Å²	153.5	77%	0.77	79%	0.793	S	S	*	*				57.4	106.8	128.3	-51.3	-54.7	0	0	0	122.9
216	R	31.1	Very low	37.5	Very low	254 Å²	254	153 Å²	153	96%	0.958	80%	0.803	S	S	*	*				-167.3	152.8	109.5	-109.7	177.3	172.5	-145.9	-6.4	114.4
217	E	36.2	Very low	37	Very low	183 Å²	183	151.1 Å²	151.1	86%	0.855	81%	0.814	S	S	*	*			trans	-87	146.1	178.5	-52.8	179.1	120.3	0	0	112.2
218	E	31.2	Very low	36.5	Very low	171 Å²	171	149.9 Å²	149.9	80%	0.799	82%	0.816	S	S	*	*				179.1	174	95.4	-93	-142.7	113.9	0	0	113
219	Q	32	Very low	36.3	Very low	171 Å²	171	144.1 Å²	144.1	80%	0.799	82%	0.815	S	S	*	*			trans	-70	157.9	-169.6	-55.1	166.2	28.1	0	0	111.9
220	S	30.6	Very low	36.8	Very low	123 Å²	123	146.1 Å²	146.1	86%	0.86	83%	0.825	S	S	*	*				-174.6	174.1	71.3	56.1	0	0	0	0	113.3
221	S	35.2	Very low	37.7	Very low	110 Å²	110	150 Å²	150	77%	0.769	83%	0.831	S	S	*	*			trans	-100.9	156.4	-176.1	62.1	0	0	0	0	114.8
222	S	31.7	Very low	38.7	Very low	124 Å²	124	147.8 Å²	147.8	87%	0.867	83%	0.826	S	S	*	*				178.5	164.9	127.4	44.7	0	0	0	0	111.9
223	Q	41	Very low	39.9	Very low	196 Å²	196	148.1 Å²	148.1	92%	0.916	82%	0.823	S	S	*	*			trans	-99.6	145	178.1	-59.7	171.3	-40.1	0	0	111.1
224	S	35.7	Very low	40.6	Very low	118 Å²	118	146.5 Å²	146.5	83%	0.825	82%	0.815	S	S	*	*			trans	-154.7	147.2	142.4	62.8	0	0	0	0	111.2
225	K	44.3	Very low	41.8	Very low	210 Å²	210	149 Å²	149	91%	0.913	82%	0.82	S	S	*	*			trans	-101.7	132.6	173.1	-61	174.9	-178.8	178	0	109
226	T	36.3	Very low	42.8	Very low	135 Å²	135	149.9 Å²	149.9	83%	0.828	82%	0.823	S	S	*	*			trans	-141.8	140.2	154.3	46	0	0	0	0	109.2
227	S	43.3	Very low	44.2	Very low	118 Å²	118	143 Å²	143	83%	0.825	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73	134	-179.5	48.2	0	0	0	0	112.2
228	C	38.5	Very low	44.4	Very low	128 Å²	128	140.1 Å²	140.1	87%	0.865	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-62.5	144.8	162.2	-62.1	0	0	0	0	110.1
229	A	43.9	Very low	44.9	Very low	93 Å²	93	139.6 Å²	139.6	77%	0.769	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-103.1	134.4	179.8	0	0	0	0	0	111.5	K231	A229-K231 PolarHBondContact O-N 3.12Å
230	D	53.9	Low	45.1	Very low	158 Å²	158	139.5 Å²	139.5	85%	0.845	81%	0.807	S	S	*	*	S	Bend	trans	-74	80.6	176.5	-66.7	-57	0	0	0	112.4
231	K	59.6	Low	45.3	Very low	172 Å²	172	139.7 Å²	139.7	75%	0.748	80%	0.803	S	S	*	*			trans	176.9	124.4	143.6	-92.4	138.8	-151.3	166.4	0	112.3	A229 T233	A229-K231 PolarHBondContact O-N 3.12Å; K231-T233 VanDerWaalsContact C-N 3.31Å; K231-T233 PolarHBondContact O-N 3.47Å
232	P	56.4	Low	45.2	Very low	129 Å²	129	141.8 Å²	141.8	84%	0.838	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	48.5	-172.8	37.1	-38.5	0	0	0	114.1
233	T	58.8	Low	45.3	Very low	117 Å²	117	142.7 Å²	142.7	72%	0.718	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.6	-1.6	-177.3	56.2	0	0	0	0	116	K231 I235	K231-T233 VanDerWaalsContact C-N 3.31Å; K231-T233 PolarHBondContact O-N 3.47Å; T233-I235 VanDerWaalsContact C-N 3.31Å; T233-I235 PolarHBondContact O-N 3.37Å
234	D	50.1	Low	44.9	Very low	132 Å²	132	142.7 Å²	142.7	71%	0.706	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	27.6	-172.4	-150.6	16.4	0	0	0	113.8
235	I	54.6	Low	44.5	Very low	144 Å²	144	140.9 Å²	140.9	74%	0.738	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-4.8	-171.2	-70.6	174	0	0	0	112.7	T233	T233-I235 VanDerWaalsContact C-N 3.31Å; T233-I235 PolarHBondContact O-N 3.37Å
236	L	55.3	Low	43.9	Very low	162 Å²	162	135.9 Å²	135.9	85%	0.848	80%	0.804	S	S	*	*	S	Bend	trans	-114.3	18.7	-169.7	-63.2	178.8	0	0	0	114.7
237	T	58.7	Low	43.6	Very low	108 Å²	108	134.3 Å²	134.3	66%	0.663	80%	0.798	S	S	*	*			trans	-133.1	27	-169	22.7	0	0	0	0	114.5
238	T	41.8	Very low	43	Very low	123 Å²	123	134.5 Å²	134.5	76%	0.755	80%	0.799	S	S	*	*			trans	-127.4	84.5	176.3	58.2	0	0	0	0	112.9
239	D	40.5	Very low	42.5	Very low	161 Å²	161	132.3 Å²	132.3	86%	0.861	80%	0.798	S	S	*	*			trans	-146.7	163.8	152	-104.4	-40.6	0	0	0	107.8
240	E	36.2	Very low	41.8	Very low	168 Å²	168	131.5 Å²	131.5	79%	0.785	80%	0.8	S	S	*	*	S	Bend	trans	76.5	69.7	178.7	-59.3	-85.5	91.9	0	0	118.5
241	T	35	Very low	40.9	Very low	128 Å²	128	130.4 Å²	130.4	79%	0.785	80%	0.798	S	S	*	*			trans	71.2	144.6	133.3	62.1	0	0	0	0	124.1
242	D	34	Very low	39.8	Very low	153 Å²	153	132.4 Å²	132.4	82%	0.818	81%	0.807	S	S	*	*			trans	-70.7	155.4	169.1	-60.2	-96.9	0	0	0	115.2
243	V	33.3	Very low	38.9	Very low	144 Å²	144	137.5 Å²	137.5	87%	0.873	81%	0.809	S	S	*	*				-173.2	151.7	105.9	148.5	0	0	0	0	111.7
244	Q	32	Very low	37.9	Very low	195 Å²	195	136.6 Å²	136.6	91%	0.911	81%	0.813	S	S	*	*			trans	-69.8	150.4	-164	-59.6	162.3	-1	0	0	116.2
245	G	27.9	Very low	37.1	Very low	80 Å²	80	139.1 Å²	139.1	83%	0.825	82%	0.818	S	S	*	*			trans	-176.9	106.4	164.4	0	0	0	0	0	114.3
246	A	32.3	Very low	36.5	Very low	106 Å²	106	138.7 Å²	138.7	88%	0.876	82%	0.822	S	S	*	*			trans	-87.4	167.4	173	0	0	0	0	0	110.9
247	S	30.4	Very low	35.8	Very low	101 Å²	101	139 Å²	139	71%	0.706	82%	0.819	S	S	*	*			cis	-163.6	168.9	21.3	65.3	0	0	0	0	113.7
248	S	29	Very low	34.8	Very low	122 Å²	122	138.4 Å²	138.4	85%	0.853	82%	0.819	S	S	*	*			trans	72.3	151.3	150.5	79.5	0	0	0	0	120.5
249	G	29.6	Very low	34.6	Very low	82 Å²	82	143.3 Å²	143.3	85%	0.845	82%	0.824	S	S	*	*			trans	104.7	56.5	162.3	0	0	0	0	0	118.1
250	G	29.4	Very low	34.6	Very low	77 Å²	77	143.7 Å²	143.7	79%	0.794	82%	0.821	S	S	*	*			trans	-90.6	124.2	-178.7	0	0	0	0	0	115.9
251	V	33.7	Very low	35	Very low	135 Å²	135	143.7 Å²	143.7	82%	0.818	82%	0.818	S	S	*	*			trans	-141	103.8	147.8	-178.9	0	0	0	0	108.4	R253	V251-R253 PolarHBondContact O-N 3.37Å
252	K	35.9	Very low	35.2	Very low	213 Å²	213	142.9 Å²	142.9	93%	0.926	82%	0.818	S	S	*	*			trans	-82.8	106.5	174.2	-72.3	-176	177.2	-179.1	0	109.6
253	R	39.3	Very low	35.7	Very low	237 Å²	237	142.1 Å²	142.1	89%	0.894	82%	0.819	S	S	*	*			trans	-72.9	137.8	163.3	-72.5	-172.1	173.6	-158.8	-2.8	109.2	V251	V251-R253 PolarHBondContact O-N 3.37Å
254	A	36.2	Very low	36	Very low	97 Å²	97	138.9 Å²	138.9	80%	0.802	81%	0.814	S	S	*	*			trans	-62.8	141.6	175.6	0	0	0	0	0	110.8
255	K	33.6	Very low	36.1	Very low	186 Å²	186	135.5 Å²	135.5	81%	0.809	81%	0.807	S	S	*	*			trans	-83.5	114.4	176.1	-173.6	177.5	179.8	-173.7	0	108.4
256	V	41.7	Very low	36.8	Very low	135 Å²	135	139.8 Å²	139.8	82%	0.818	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74.9	125.7	167.1	-180	0	0	0	0	107.5
257	E	41.2	Very low	37.1	Very low	168 Å²	168	146.2 Å²	146.2	79%	0.785	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-83.5	123.6	175.4	-61	-168.1	131.5	0	0	109.3
258	S	37.3	Very low	37.5	Very low	95 Å²	95	145.2 Å²	145.2	66%	0.664	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-78.4	123.9	178.9	-170.4	0	0	0	0	109.6	E260	S258-E260 PolarHBondContact O-N 3.14Å
259	W	38.1	Very low	38.3	Very low	226 Å²	226	151.7 Å²	151.7	86%	0.856	82%	0.823	S	S	*	*			trans	-83.9	63.6	-177.4	-151.9	-7.4	0	0	0	111.5	K261	W259-K261 PolarHBondContact O-N 3.16Å
260	E	41	Very low	38.7	Very low	170 Å²	170	151.6 Å²	151.6	79%	0.794	82%	0.821	S	S	*	*			trans	-71	90.5	-179.8	-64.9	-169.6	149.5	0	0	111.2	S258 S262	S258-E260 PolarHBondContact O-N 3.14Å; E260-S262 PolarHBondContact O-N 2.62Å; E260-S262 VanDerWaalsContact O-N 3.08Å
261	K	44.8	Very low	39.4	Very low	167 Å²	167	152.6 Å²	152.6	73%	0.726	82%	0.823	S	S	*	*			trans	-70.9	100	171.1	-80	-178.2	173.7	175.9	0	110.4	W259	W259-K261 PolarHBondContact O-N 3.16Å
262	S	38.8	Very low	40	Very low	111 Å²	111	154.5 Å²	154.5	78%	0.776	83%	0.827	S	S	*	*			trans	-57.6	139	174.1	-178.3	0	0	0	0	112.8	E260	E260-S262 PolarHBondContact O-N 2.62Å; E260-S262 VanDerWaalsContact O-N 3.08Å
263	V	44.5	Very low	40.1	Very low	138 Å²	138	149.1 Å²	149.1	84%	0.836	82%	0.816	S	S	*	*			trans	-130.2	135.1	168.5	-83.3	0	0	0	0	110.2
264	G	39.8	Very low	40.1	Very low	76 Å²	76	142.9 Å²	142.9	78%	0.784	81%	0.809	S	S	*	*			trans	76.5	71.8	158.5	0	0	0	0	0	117.9	L266	G264-L266 PolarHBondContact O-N 3.14Å
265	T	34.7	Very low	40.4	Very low	124 Å²	124	145.7 Å²	145.7	76%	0.761	81%	0.81	S	S	*	*			trans	-69.5	116	159	-66.6	0	0	0	0	110.4
266	L	42.6	Very low	40.6	Very low	170 Å²	170	143.3 Å²	143.3	89%	0.89	81%	0.81	S	S	*	*			trans	-125.7	122.8	162.1	-82.1	174.2	0	0	0	111	G264 G268	G264-L266 PolarHBondContact O-N 3.14Å; L266-G268 PolarHBondContact O-N 3.19Å
267	R	38	Very low	40.5	Very low	241 Å²	241	143.3 Å²	143.3	91%	0.909	81%	0.81	S	S	*	*			trans	-85.5	105.2	179.7	-73.6	-177.8	172.7	-134.9	0.4	111.1
268	G	38.8	Very low	40.4	Very low	79 Å²	79	146.6 Å²	146.6	81%	0.814	82%	0.816	S	S	*	*			trans	-93.3	115.8	161.5	0	0	0	0	0	111.3	L266	L266-G268 PolarHBondContact O-N 3.19Å
269	R	45.1	Very low	40.4	Very low	259 Å²	259	151.8 Å²	151.8	98%	0.977	83%	0.826	S	S	*	*			trans	-85.3	123	164.5	-93	-174.4	165.2	-169.4	-3.2	108.8
270	G	37.8	Very low	40.4	Very low	79 Å²	79	150.3 Å²	150.3	81%	0.814	83%	0.826	S	S	*	*			trans	-155.9	97	174.1	0	0	0	0	0	110.9
271	A	44	Very low	40.2	Very low	99 Å²	99	148.2 Å²	148.2	82%	0.818	83%	0.827	S	S	*	*			trans	-88.1	140.6	166.6	0	0	0	0	0	109
272	L	46.8	Very low	39.6	Very low	175 Å²	175	147 Å²	147	92%	0.916	83%	0.833	S	S	*	*			trans	-166.8	125.6	136.8	-105	173.9	0	0	0	109.4
273	S	38.8	Very low	39.2	Very low	99 Å²	99	146.3 Å²	146.3	69%	0.692	84%	0.835	S	S	*	*			trans	-103.4	153.4	174	53.2	0	0	0	0	110.3
274	S	38.7	Very low	38.7	Very low	107 Å²	107	146.4 Å²	146.4	75%	0.748	84%	0.836	S	S	*	*			trans	68	160	174.3	83.1	0	0	0	0	115
275	L	43.3	Very low	38.3	Very low	156 Å²	156	150.1 Å²	150.1	82%	0.817	84%	0.838	S	S	*	*			cis	-124.8	146.8	10.8	-82.4	139.5	0	0	0	112.6
276	V	37.1	Very low	38.2	Very low	135 Å²	135	154.1 Å²	154.1	82%	0.818	85%	0.845	S	S	*	*			trans	-95.6	125	166.9	172.6	0	0	0	0	109.5
277	V	40.3	Very low	37.7	Very low	135 Å²	135	156.3 Å²	156.3	82%	0.818	84%	0.841	S	S	*	*			trans	-102.2	103.9	172.1	179.9	0	0	0	0	110.4
278	R	38.5	Very low	37.9	Very low	237 Å²	237	150.2 Å²	150.2	89%	0.894	83%	0.833	S	S	*	*			trans	-77.2	132.5	163.7	-88.9	176.5	159.5	170	-5.4	109.6
279	K	37	Very low	37.5	Very low	205 Å²	205	151.3 Å²	151.3	89%	0.891	82%	0.824	S	S	*	*			trans	-110.2	118.4	165	-154.3	171.5	-171	176.9	0	109.3
280	K	38.8	Very low	36.8	Very low	194 Å²	194	143.9 Å²	143.9	84%	0.843	81%	0.807	S	S	*	*			trans	-87.9	152.7	171.8	-101.7	-174.1	171.8	-176.6	0	110
281	P	35.8	Very low	36.4	Very low	126 Å²	126	148 Å²	148	82%	0.818	81%	0.805	S	S	*	*			trans	-78	151	173.3	33.3	-34.6	0	0	0	111.5
282	T	31.8	Very low	35.7	Very low	141 Å²	141	151.6 Å²	151.6	87%	0.865	81%	0.805	S	S	*	*			trans	-110.4	125	166.5	46.6	0	0	0	0	109
283	A	32	Very low	34.8	Very low	98 Å²	98	147.4 Å²	147.4	81%	0.81	80%	0.796	S	S	*	*			trans	-100.6	142.3	171.8	0	0	0	0	0	110.2
284	T	33.2	Very low	34.3	Very low	140 Å²	140	148.8 Å²	148.8	86%	0.859	80%	0.8	S	S	*	*			trans	-147.3	116.5	166.3	46.5	0	0	0	0	109.3
285	D	32.3	Very low	34	Very low	153 Å²	153	149.8 Å²	149.8	82%	0.818	80%	0.801	S	S	*	*			trans	-65.5	153.5	170.7	-63	-86.7	0	0	0	112.8
286	K	31.3	Very low	33.6	Very low	208 Å²	208	147.8 Å²	147.8	90%	0.904	80%	0.8	S	S	*	*				-177.7	138.7	115.2	-96.6	158.5	-173.2	-178.9	0	113.5
287	R	32.3	Very low	33.9	Very low	217 Å²	217	146.6 Å²	146.6	82%	0.819	80%	0.795	S	S	*	*			trans	-146.2	131.2	161.7	-167.4	-172.8	-173.1	-135.7	0.3	108.2
288	P	41.6	Very low	33.5	Very low	113 Å²	113	146.1 Å²	146.1	73%	0.734	79%	0.792	S	S	*	*				-124.5	156	116.5	1.2	21.3	0	0	0	110.6
289	V	32.1	Very low	33.2	Very low	102 Å²	102	139.2 Å²	139.2	62%	0.618	78%	0.781	S	S	*	*				73.2	131.2	52.3	179.5	0	0	0	0	112.1
290	T	28.8	Very low	33.1	Very low	103 Å²	103	137.8 Å²	137.8	63%	0.632	77%	0.774	S	S	*	*			cis	-100.6	-123.4	4.4	-25.8	0	0	0	0	112.4
291	E	30.4	Very low	32.6	Very low	165 Å²	165	134.1 Å²	134.1	77%	0.771	77%	0.768	S	S	*	*			cis	-156.6	132.3	-11.3	-127.3	126.5	-109.7	0	0	104.7
292	E	27.9	Very low	32.3	Very low	175 Å²	175	134 Å²	134	82%	0.818	76%	0.761	S	S	*	*				84.1	141.3	67.1	-70.8	-125.2	153.4	0	0	117.5
293	A	29.7	Very low	32.5	Very low	87 Å²	87	132.6 Å²	132.6	72%	0.719	76%	0.757	S	S	*	*			trans	69.2	150.2	173.1	0	0	0	0	0	120.7
294	T	28.1	Very low	32.6	Very low	127 Å²	127	136.5 Å²	136.5	78%	0.779	76%	0.756	S	S	*	*			cis	-168	168.5	-33.1	39.4	0	0	0	0	110.3
295	V	30.8	Very low	32.3	Very low	128 Å²	128	136 Å²	136	78%	0.776	75%	0.753	S	S	*	*			trans	77.4	135.3	159.4	-169.1	0	0	0	0	119.3
296	S	34.9	Very low	32.4	Very low	114 Å²	114	133.1 Å²	133.1	80%	0.797	74%	0.744	S	S	*	*			trans	-118.6	151	159.8	-45.8	0	0	0	0	109.8
297	P	43.9	Very low	32.4	Very low	110 Å²	110	129.8 Å²	129.8	71%	0.714	74%	0.742	S	S	*	*				-149.1	142.6	127.8	32.9	-14.8	0	0	0	117.5
298	V	32.4	Very low	32.2	Very low	125 Å²	125	123.1 Å²	123.1	76%	0.758	74%	0.74	S	S	*	*				29.4	126.2	127.7	-152.4	0	0	0	0	117.3
299	S	33	Very low	31.7	Very low	93 Å²	93	125 Å²	125	65%	0.65	74%	0.744	S	S	*	*				-178.9	133.4	81.2	-65.1	0	0	0	0	115.9
300	K	33.3	Very low	31.7	Very low	175 Å²	175	124.6 Å²	124.6	76%	0.761	75%	0.746	S	S	*	*			trans	52.2	178.2	137.3	-47.3	175.2	-175.1	176.2	0	117.9
301	T	29.3	Very low	31.9	Very low	117 Å²	117	125.1 Å²	125.1	72%	0.718	75%	0.749	S	S	*	*			cis	-144.3	163.6	0.8	45.3	0	0	0	0	108.2
302	D	29.5	Very low	31.9	Very low	124 Å²	124	124.6 Å²	124.6	66%	0.663	75%	0.751	S	S	*	*			cis	-175.2	164.7	-28.9	-88.9	-22.4	0	0	0	107.6
303	S	35.3	Very low	32.1	Very low	111 Å²	111	120.5 Å²	120.5	78%	0.776	75%	0.748	S	S	*	*			trans	71.6	155.7	163.9	79.7	0	0	0	0	119.2
304	K	33.4	Very low	33.1	Very low	180 Å²	180	121.6 Å²	121.6	78%	0.783	75%	0.747	S	S	*	*			cis	-154.4	140	-16.4	-110.7	164.3	-176.6	178.2	0	106.6
305	T	28.7	Very low	33.2	Very low	130 Å²	130	124.7 Å²	124.7	80%	0.798	75%	0.75	S	S	*	*				60.6	129.3	83.7	-33.8	0	0	0	0	112
306	S	34.2	Very low	33	Very low	92 Å²	92	123.6 Å²	123.6	64%	0.643	75%	0.748	S	S	*	*			cis	-160.2	152.8	47.5	55.7	0	0	0	0	116.2
307	T	30.1	Very low	32.7	Very low	138 Å²	138	123 Å²	123	85%	0.847	74%	0.744	S	S	*	*			trans	44.5	138.8	141.8	56.9	0	0	0	0	120.7
308	G	29.9	Very low	32.1	Very low	77 Å²	77	124 Å²	124	79%	0.794	75%	0.748	S	S	*	*			cis	120.1	158.4	34.8	0	0	0	0	0	108.2
309	D	30	Very low	32.2	Very low	152 Å²	152	123.2 Å²	123.2	81%	0.813	75%	0.748	S	S	*	*			cis	-165	167.6	-0	-174.2	17.2	0	0	0	108.8
310	S	32.2	Very low	32.6	Very low	94 Å²	94	127.7 Å²	127.7	66%	0.657	76%	0.759	S	S	*	*			trans	60.2	155.8	162.4	61.3	0	0	0	0	120.5
311	T	32.2	Very low	32.7	Very low	114 Å²	114	126.6 Å²	126.6	70%	0.699	76%	0.761	S	S	*	*			cis	-158.9	179	-19.8	33.7	0	0	0	0	109.4
312	D	32	Very low	33.3	Very low	153 Å²	153	126.2 Å²	126.2	82%	0.818	77%	0.769	S	S	*	*			trans	85.1	153.1	151.5	-60.8	-56.9	0	0	0	122.4
313	A	31.6	Very low	33.9	Very low	90 Å²	90	126.1 Å²	126.1	74%	0.744	78%	0.779	S	S	*	*			trans	-157.7	-172	-179.5	0	0	0	0	0	107
314	P	49.6	Very low	34.3	Very low	109 Å²	109	125.2 Å²	125.2	71%	0.708	77%	0.773	S	S	*	*			cis	-132.6	178.5	-9.2	41.4	-25.8	0	0	0	114
315	K	30.9	Very low	34.9	Very low	192 Å²	192	122.7 Å²	122.7	84%	0.835	78%	0.778	S	S	*	*			trans	162.9	154.2	132.1	-90.8	162.2	-179	174.7	0	113.5
316	S	27.1	Very low	36	Very low	105 Å²	105	123.8 Å²	123.8	73%	0.734	78%	0.777	S	S	*	*			trans	40.6	142.6	145.8	60.3	0	0	0	0	121.6
317	S	28.9	Very low	36.8	Very low	103 Å²	103	125.1 Å²	125.1	72%	0.72	79%	0.787	S	S	*	*			cis	-179.2	167.5	2.5	43.1	0	0	0	0	111.8
318	V	30.8	Very low	37.9	Very low	130 Å²	130	126.5 Å²	126.5	79%	0.788	79%	0.788	S	S	*	*			trans	68.3	121	159.5	171.4	0	0	0	0	117.8
319	S	35.3	Very low	38.9	Very low	108 Å²	108	131.1 Å²	131.1	76%	0.755	79%	0.794	S	S	*	*			trans	-85.6	146.9	161.3	-30.8	0	0	0	0	110.8
320	Q	40.4	Very low	39.6	Very low	188 Å²	188	127.9 Å²	127.9	88%	0.879	80%	0.796	S	S	*	*			trans	-141.3	161.7	144.7	-78.8	-149	-8.8	0	0	110.9
321	N	36.6	Very low	40.2	Very low	152 Å²	152	127.7 Å²	127.7	81%	0.813	80%	0.8	S	S	*	*			trans	-91.5	162.8	-164.7	-62.5	-30	0	0	0	113
322	A	40.6	Very low	40.7	Very low	108 Å²	108	133.1 Å²	133.1	89%	0.893	81%	0.809	S	S	*	*			trans	-62.3	136.7	155	0	0	0	0	0	110
323	S	42.7	Very low	41	Very low	122 Å²	122	131.2 Å²	131.2	85%	0.853	81%	0.808	S	S	*	*			trans	-104.8	140.1	174.3	46.3	0	0	0	0	111
324	S	43.7	Very low	41.2	Very low	93 Å²	93	134.9 Å²	134.9	65%	0.65	82%	0.815	S	S	*	*			trans	-87.9	152.6	-174.3	45.5	0	0	0	0	113.1	L326	S324-L326 PolarHBondContact O-N 3.33Å
325	S	45.1	Very low	40.9	Very low	127 Å²	127	134.3 Å²	134.3	89%	0.888	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	49.5	-173.2	58.4	0	0	0	0	114.2
326	L	52.3	Low	41.5	Very low	152 Å²	152	132 Å²	132	80%	0.796	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.1	-2.1	-174.7	-76.9	171.8	0	0	0	115.5	S324 L328	S324-L326 PolarHBondContact O-N 3.33Å; L326-L328 VanDerWaalsContact C-N 3.28Å; L326-L328 PolarHBondContact O-N 3.13Å; L326-L328 VanDerWaalsContact O-N 3.15Å
327	S	51.3	Low	42.2	Very low	120 Å²	120	132.9 Å²	132.9	84%	0.839	82%	0.817	S	S	*	*			trans	-85.1	28.3	-173.7	-47.3	0	0	0	0	115.3
328	L	53.2	Low	43	Very low	167 Å²	167	135.1 Å²	135.1	87%	0.874	82%	0.821	S	S	*	*			trans	-127.9	19.7	-166.6	-140.9	108.7	0	0	0	116.1	L326	L326-L328 VanDerWaalsContact C-N 3.28Å; L326-L328 PolarHBondContact O-N 3.13Å; L326-L328 VanDerWaalsContact O-N 3.15Å
329	L	51.3	Low	43.6	Very low	175 Å²	175	135.5 Å²	135.5	92%	0.916	82%	0.818	S	S	*	*			trans	-134.6	107.9	170.4	-72.7	173	0	0	0	109.3
330	G	44.6	Very low	44.3	Very low	84 Å²	84	135 Å²	135	87%	0.866	82%	0.815	S	S	*	*			trans	164	42.1	-176.9	0	0	0	0	0	115.4
331	A	43.8	Very low	44.3	Very low	89 Å²	89	139 Å²	139	74%	0.736	83%	0.833	S	S	*	*			trans	-144.9	60.4	-177.4	0	0	0	0	0	113.1
332	Y	42.4	Very low	44.7	Very low	228 Å²	228	138.3 Å²	138.3	89%	0.894	83%	0.834	S	S	*	*			trans	-130.9	100.2	158.7	-63.4	-83.6	0	0	0	104.6
333	S	38.7	Very low	44.9	Very low	113 Å²	113	139.9 Å²	139.9	79%	0.79	83%	0.831	S	S	*	*				71.4	63.4	63.1	-164.2	0	0	0	0	112
334	D	35.6	Very low	45	Very low	167 Å²	167	140.9 Å²	140.9	89%	0.893	83%	0.83	S	S	*	*			trans	-56.2	140.7	165	-91.8	-61.3	0	0	0	111.6
335	S	43.1	Very low	45.1	Very low	97 Å²	97	143.7 Å²	143.7	68%	0.678	84%	0.841	S	S	*	*			trans	-151.2	126.1	166.9	-144.9	0	0	0	0	109.6
336	D	43.8	Very low	45.1	Very low	144 Å²	144	144.8 Å²	144.8	77%	0.77	84%	0.838	S	S	*	*			trans	54.7	111.4	157.9	-55.5	-79.9	0	0	0	120
337	S	42.5	Very low	44.6	Very low	123 Å²	123	144.3 Å²	144.3	86%	0.86	84%	0.84	S	S	*	*				-161.9	149.4	119.2	-81.1	0	0	0	0	112.3
338	N	45.5	Very low	44.2	Very low	151 Å²	151	146 Å²	146	81%	0.807	84%	0.841	S	S	*	*			trans	-60.6	164	164	-69.7	-25.1	0	0	0	109.9
339	D	44.2	Very low	43.5	Very low	137 Å²	137	144.4 Å²	144.4	73%	0.733	84%	0.838	S	S	*	*				-173.8	170.1	67.7	-140.4	-76.5	0	0	0	115.5
340	S	48.5	Very low	42.8	Very low	97 Å²	97	141.8 Å²	141.8	68%	0.678	83%	0.831	S	S	*	*			trans	74.3	122.7	151.8	-65.3	0	0	0	0	122
341	E	41.3	Very low	42.7	Very low	272 Å²	272	147.1 Å²	147.1	100%	1.271	83%	0.828	S	S	*	*			trans	64.1	0	152	-55.7	-168.1	116.5	0	0	120.9

Retrieved 341 of 341 residues in 516.9 ms (Link to these results)

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