A0A096LZN6_POEFO Loading...

Calsyntenin-1

AlphaFold DB , UniProt , Accession A0A096LZN6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 916 aa.

						>A0A096LZN6_POEFO|A0A096LZN6
MRFRGNKQFASAVGLVLGLLCAVEAAKVNKHKPWIETTYHGIVTENDDKVILDPPLIALDKDAPLRYAGEICGFRIHGQNVPFEAVVLDKSTGEGVIRAKEKLDCELQKEHTFTIQAYDCGEGPDGANMKKSHKATVHIQVNDINEYSPVFKEKTYKATVIEGKKYDNILKVEAVDADCSFQFSQICSYEIVTPDVPFTIDKDGFIKNTEKLSYGKEHMYKLTVTAYDCGKNRASEDVLVKISIKPTCRPSWQGFNKRTEYEPGTGSLALFPSMHLETCDVPITSVRASIELETNHIGKGCDRDTYSEKSLHKLCGASSGTVELLPAPSSSANWTVGLPTDNGHDSDQVFEFNGTQAIKVPDGLVNANLKEPFTISVWMRHGPGSHDKETILCNSDKTDMNRHHYSLYVHNCRLILLLRQDPSEAENYKPAEFHWKLDQVCDKEWHHYVLNVEFPTVSLFVDGTAFEPFMVTEDYPLHPSKIETQLTVGACWQENSGHDNDTEAAPETTSGGNARMAQFFRGNLAGLIIRSGKLENKKVIDCLYTCKEGLDVQLPEEVASAVKVDFNPNQSSLTVEGDDIGAFDKVMQHISYLNSRQFPTPGIRHLRISTTVKCLNEDACVAVPDAEGYVMVLQPEEPKISLSGIDHFARSAAEFESQEGVTLFPELRIVSTITREMEADAESEAAEGTDDDPTVQETVVSEEIMHNLDSCEVSVVGDELDGEHESLEVDVSQLQQRALEMSSSNLGLVITGVNTMANYEQVLHLIRYKNWHTEALFDRKFKLVCSELNGRYISNDFKVEVNVIHTSNPVEHANNAMVQPNFINPVHHASVDLSGHNLVNAHQASVVPSAATIVIVVCVSFLVFMIILGVFRIRAAHQRSMRDQESGKENEMDWDDSALTITVNPMETYEDQHSSE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.9	Very low	38.3	Very low	247 Å²	247	164.1 Å²	164.1	100%	1.217	82%	0.821	S	S	*	*				0	145.1	0	-92.9	176.7	168.7	0	0	109.5
2	R	35.3	Very low	39.4	Very low	222 Å²	222	157.7 Å²	157.7	84%	0.838	81%	0.812	S	S	*	*			trans	12.3	132	155.7	-86.6	178.3	162.3	-169.6	-3	122.9
3	F	35.5	Very low	40.4	Very low	155 Å²	155	153.7 Å²	153.7	68%	0.68	80%	0.799	S	S	*	*				88.6	127.5	127	-86.6	-52.3	0	0	0	125.4
4	R	39.6	Very low	41.2	Very low	237 Å²	237	147.4 Å²	147.4	89%	0.894	79%	0.791	S	S	*	*			trans	52.4	133.3	134.9	-94.4	175.5	173.9	-176.6	-1.6	121.8
5	G	36.7	Very low	41.9	Very low	76 Å²	76	146.7 Å²	146.7	78%	0.784	79%	0.786	S	S	*	*			trans	159.7	90.1	142.3	0	0	0	0	0	121.5
6	N	36.5	Very low	42.6	Very low	159 Å²	159	143.3 Å²	143.3	85%	0.85	77%	0.771	S	S	*	*			trans	69.8	165.7	139.4	-136.6	6.6	0	0	0	124.5
7	K	42.6	Very low	43	Very low	181 Å²	181	142.3 Å²	142.3	79%	0.787	77%	0.765	S	S	*	*			trans	-70.6	173.9	-175.2	-57.6	169.6	178.1	178.1	0	113.3
8	Q	42.1	Very low	43.4	Very low	150 Å²	150	137 Å²	137	70%	0.701	75%	0.749	S	S	*	*			cis	-175.4	165.2	41	-158.9	177.1	-1.3	0	0	112.5
9	F	40.3	Very low	43.7	Very low	186 Å²	186	135.9 Å²	135.9	82%	0.816	74%	0.742	S	S	*	*			trans	67	149.1	169.9	-67.3	-74.5	0	0	0	118.2
10	A	37.7	Very low	43.7	Very low	92 Å²	92	134.5 Å²	134.5	76%	0.76	73%	0.733	S	S	*	*			cis	-142.7	166	-2.8	0	0	0	0	0	110
11	S	43.1	Very low	43.8	Very low	100 Å²	100	132.3 Å²	132.3	70%	0.699	73%	0.726	S	S	*	*				-173	139.8	89.7	178.8	0	0	0	0	111.6
12	A	51.4	Low	44.4	Very low	87 Å²	87	123.5 Å²	123.5	72%	0.719	69%	0.693	S	S	*	*			trans	-95.7	13.1	-173.5	0	0	0	0	0	115
13	V	52.9	Low	44.9	Very low	106 Å²	106	118 Å²	118	64%	0.642	68%	0.684	S	S	*	*	S	Bend	trans	-81.8	-23	-171.6	-178.9	0	0	0	0	113.3	L15	V13-L15 PolarHBondContact O-N 3.46Å
14	G	50.8	Low	45.4	Very low	66 Å²	66	117.3 Å²	117.3	68%	0.68	68%	0.683	S	S	*	*	H	α-helix	trans	-74.8	-21.6	-176	0	0	0	0	0	115.9
15	L	52.4	Low	45.7	Very low	137 Å²	137	108.5 Å²	108.5	72%	0.717	66%	0.661	S	S	*	*	H	α-helix	trans	-85.1	-24.6	-171.9	-135.6	80.8	0	0	0	113.8	V13 L19	V13-L15 PolarHBondContact O-N 3.46Å; L15-L19 WeakPolarHBondContact O-CD1 3.49Å; L15-L19 PolarHBondContact O-N 3.49Å
16	V	52.1	Low	46.3	Very low	92 Å²	92	107.6 Å²	107.6	56%	0.558	65%	0.646	S	S	*	*	H	α-helix	trans	-82.1	-37.3	-174.1	-177.8	0	0	0	0	112	G18 L19 L20	V16-G18 VanDerWaalsContact C-N 3.31Å; V16-G18 PolarHBondContact O-N 3.48Å; V16-L19 PolarHBondContact O-N 3.18Å; V16-L20 HydrophobicContact CG1-CD1 4.24Å; V16-L20 PolarHBondContact O-N 3.27Å
17	L	50.3	Low	47.2	Very low	126 Å²	126	107.6 Å²	107.6	66%	0.66	64%	0.638	S	S	*	*	H	α-helix	trans	-65	-35.4	171.6	-96.9	74.2	0	0	0	112	L19 L20 C21	L17-L19 PolarHBondContact O-N 3.5Å; L17-L20 PolarHBondContact O-N 3.25Å; L17-C21 PolarHBondContact O-N 3.26Å
18	G	50.1	Low	48.5	Very low	47 Å²	47	101.7 Å²	101.7	49%	0.485	62%	0.617	S	S	.	*	H	α-helix	trans	-65.1	-36.7	179	0	0	0	0	0	113.8	V16 A22	V16-G18 VanDerWaalsContact C-N 3.31Å; V16-G18 PolarHBondContact O-N 3.48Å; G18-A22 PolarHBondContact O-N 3.32Å
19	L	48.8	Very low	50.2	Low	117 Å²	117	94.8 Å²	94.8	61%	0.613	59%	0.585	S	S	*	*	H	α-helix	trans	-77.9	-32.4	176.6	-94.4	80.9	0	0	0	113.2	L15 V16 L17 A22 V23	L15-L19 WeakPolarHBondContact O-CD1 3.49Å; L15-L19 PolarHBondContact O-N 3.49Å; V16-L19 PolarHBondContact O-N 3.18Å; L17-L19 PolarHBondContact O-N 3.5Å; L19-A22 PolarHBondContact O-N 3.49Å; L19-V23 WeakPolarHBondContact O-CG2 3.38Å; L19-V23 PolarHBondContact O-N 3.44Å
20	L	44.7	Very low	52.2	Low	106 Å²	106	91.8 Å²	91.8	56%	0.555	57%	0.572	S	S	*	*	H	α-helix	trans	-65.7	-46.3	177.4	-80.9	159.9	0	0	0	111.7	V16 L17 A22 V23 E24	V16-L20 HydrophobicContact CG1-CD1 4.24Å; V16-L20 PolarHBondContact O-N 3.27Å; L17-L20 PolarHBondContact O-N 3.25Å; L20-A22 VanDerWaalsContact C-N 3.26Å; L20-A22 PolarHBondContact O-N 3.19Å; L20-V23 PolarHBondContact O-N 3.28Å; L20-E24 PolarHBondContact O-N 3.45Å
21	C	44.4	Very low	54.6	Low	89 Å²	89	91.2 Å²	91.2	60%	0.601	55%	0.553	S	S	*	*	H	α-helix	trans	-63.8	-27.7	174.6	-70.9	0	0	0	0	113.7	L17 A25	L17-C21 PolarHBondContact O-N 3.26Å; C21-A25 WeakPolarHBondContact O-CB 3.25Å; C21-A25 PolarHBondContact O-N 3.45Å
22	A	45.4	Very low	56.7	Low	63 Å²	63	92.4 Å²	92.4	52%	0.521	55%	0.546	S	S	.	.	H	α-helix	trans	-75.1	-28.3	176.5	0	0	0	0	0	113.3	G18 L19 L20	G18-A22 PolarHBondContact O-N 3.32Å; L19-A22 PolarHBondContact O-N 3.49Å; L20-A22 VanDerWaalsContact C-N 3.26Å; L20-A22 PolarHBondContact O-N 3.19Å
23	V	46.3	Very low	58.7	Low	105 Å²	105	88.3 Å²	88.3	64%	0.636	51%	0.512	S	S	*	.	H	α-helix	trans	-83	-25.6	179.2	174.6	0	0	0	0	112.1	L19 L20	L19-V23 WeakPolarHBondContact O-CG2 3.38Å; L19-V23 PolarHBondContact O-N 3.44Å; L20-V23 PolarHBondContact O-N 3.28Å
24	E	45.1	Very low	60.6	Low	141 Å²	141	88.9 Å²	88.9	66%	0.659	50%	0.503	S	S	*	.	H	α-helix	trans	-79.8	-30.2	170.6	-71.3	174.5	143.5	0	0	112.7	L20 A26 K27	L20-E24 PolarHBondContact O-N 3.45Å; E24-A26 PolarHBondContact O-N 2.66Å; E24-K27 PolarHBondContact O-N 2.75Å
25	A	45.9	Very low	62.7	Low	52 Å²	52	85.8 Å²	85.8	43%	0.43	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-5.5	178.4	0	0	0	0	0	115.4	C21 K30	C21-A25 WeakPolarHBondContact O-CB 3.25Å; C21-A25 PolarHBondContact O-N 3.45Å; A25-K30 PolarHBondContact O-NZ 3.35Å
26	A	50	Low	64.7	Low	57 Å²	57	83 Å²	83	47%	0.471	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-1.9	-177.9	0	0	0	0	0	114.7	E24	E24-A26 PolarHBondContact O-N 2.66Å
27	K	55.4	Low	66.6	Low	159 Å²	159	82.6 Å²	82.6	69%	0.691	45%	0.451	S	S	*	.	S	Bend	trans	-106.1	-2.1	-177.7	-73.5	-174.7	177	178.5	0	115.8	E24 E122	E24-K27 PolarHBondContact O-N 2.75Å; K27-E122 WeakPolarHBondContact O-CG 3.37Å
28	V	68.9	Low	68.8	Low	58 Å²	58	79.6 Å²	79.6	35%	0.352	44%	0.438	S	S	.	.	S	Bend	trans	-84.3	127.9	-172.9	-173.2	0	0	0	0	111.3	K30 E122	V28-K30 WeakPolarHBondContact O-CG 3.44Å; V28-K30 PolarHBondContact O-N 3.42Å; V28-E122 WeakPolarHBondContact CA-OE1 3.45Å
29	N	78.9	Confident	71	Confident	4 Å²	4	77.4 Å²	77.4	2%	0.021	42%	0.415	C	S	.	.			trans	-62.1	113.4	167.8	176.8	-15.8	0	0	0	108.8	H31 A68 D119 N128 K130	N29-H31 PolarHBondContact OD1-O 2.94Å; N29-A68 HydrophobicContact CB-CB 3.93Å; N29-D119 PolarHBondContact ND2-OD1 3.32Å; N29-D119 PolarHBondContact ND2-OD2 2.87Å; N29-N128 PolarHBondContact ND2-O 3.44Å; N29-K130 WeakPolarHBondContact O-CE 3.43Å; N29-K130 PolarHBondContact O-NZ 3.41Å; N29-K130 WeakPolarHBondContact OD1-CE 3.47Å; N29-K130 PolarHBondContact OD1-NZ 2.87Å
30	K	82.4	Confident	73.2	Confident	124 Å²	124	77.1 Å²	77.1	54%	0.539	41%	0.411	S	S	.	.			trans	-112.4	-41.1	-173	-77.1	163.4	-168.6	166.1	0	112.2	A25 V28 D62 K130	A25-K30 PolarHBondContact O-NZ 3.35Å; V28-K30 WeakPolarHBondContact O-CG 3.44Å; V28-K30 PolarHBondContact O-N 3.42Å; K30-D62 PolarHBondContact N-OD2 3.39Å; K30-K130 VanDerWaalsContact C-CE 3.48Å; K30-K130 WeakPolarHBondContact O-CE 3.39Å
31	H	86.7	Confident	75.6	Confident	80 Å²	80	72.3 Å²	72.3	37%	0.37	39%	0.387	S	S	.	.	S	Bend	trans	-94.3	168.5	-178.2	-63.2	102.3	0	0	0	111.1	N29 D60 K61 D62 K130	N29-H31 PolarHBondContact OD1-O 2.94Å; H31-D60 VanDerWaalsContact CB-OD1 3.3Å; H31-D60 WeakPolarHBondContact CB-OD1 3.01Å; H31-K61 HydrophobicContact CB-CB 3.94Å; H31-D62 IonicContact CE1-OD1 3.29Å; H31-D62 IonicContact CG-OD1 2.97Å; H31-D62 PolarHBondContact N-OD2 2.9Å; H31-D62 IonicContact ND1-OD1 2.69Å; H31-D62 PolarHBondContact ND1-OD1 3.09Å; H31-K130 WeakPolarHBondContact O-CD 3.14Å; H31-K130 WeakPolarHBondContact O-CE 3.45Å
32	K	88.4	Confident	78	Confident	125 Å²	125	71.3 Å²	71.3	54%	0.543	38%	0.375	S	S	.	.			trans	-118.6	149.9	175.1	66.3	-179.5	-179.4	177.2	0	107.3	K130	K32-K130 HydrophobicContact CB-CB 3.97Å; K32-K130 HydrophobicContact CB-CD 4.22Å
33	P	92.1	Very high	80.3	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.006	35%	0.351	C	S	.	.			trans	-65.5	147.3	-179.7	23.2	-32.7	0	0	0	110.1	D60 I71 A117 D119 S132	P33-D60 VanDerWaalsContact CA-OD2 3.3Å; P33-D60 WeakPolarHBondContact CA-OD2 3.33Å; P33-D60 VanDerWaalsContact CD-OD2 3.27Å; P33-D60 WeakPolarHBondContact CD-OD2 3.36Å; P33-I71 HydrophobicContact CB-CD1 3.65Å; P33-I71 HydrophobicContact CG-CD1 4.45Å; P33-A117 HydrophobicContact CB-CB 4.3Å; P33-A117 HydrophobicContact CG-CB 4.37Å; P33-D119 HydrophobicContact CG-CB 4.49Å; P33-S132 WeakPolarHBondContact O-CA 3.18Å; P33-S132 WeakPolarHBondContact O-CB 3.47Å
34	W	92.9	Very high	82.5	Confident	118 Å²	118	65.9 Å²	65.9	45%	0.447	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-117.2	139	177.4	-177.5	90	0	0	0	109.5	E36 A58 L59 H133	W34-E36 VanDerWaalsContact CH2-CD 3.48Å; W34-E36 HydrophobicContact CH2-CG 4.4Å; W34-E36 WeakPolarHBondContact CH2-OE1 3.14Å; W34-A58 CarbonylContact O-C 3.59Å; W34-A58 WeakPolarHBondContact O-CA 3.44Å; W34-L59 PolarHBondContact N-O 3.01Å; W34-L59 PolarHBondContact O-N 2.87Å; W34-H133 AromaticContact CD1-CE1 3.88Å; W34-H133 AromaticContact NE1-CE1 3.81Å
35	I	95.4	Very high	84.6	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.306	C	S	.	.			trans	-132.5	167.3	177.6	54.2	175.7	0	0	0	107.6	A58 F74 I115 A117 S132 H133 A135	I35-A58 HydrophobicContact CG2-CB 3.59Å; I35-F74 HydrophobicContact CG2-CE1 4.28Å; I35-I115 HydrophobicContact CD1-CG2 4.44Å; I35-A117 HydrophobicContact CG2-CB 3.72Å; I35-S132 WeakPolarHBondContact CD1-OG 3.43Å; I35-H133 PolarHBondContact O-CE1 3.09Å; I35-H133 PolarHBondContact O-NE2 2.8Å; I35-A135 HydrophobicContact CD1-CB 3.62Å; I35-A135 HydrophobicContact CG1-CB 4.22Å
36	E	94.6	Very high	86.6	Confident	79 Å²	79	61.3 Å²	61.3	37%	0.369	31%	0.308	S	S	.	.			trans	-66.2	151.8	170.8	-66.1	-65.4	171.5	0	0	111.1	W34 T38 Y39 P54 A135	W34-E36 VanDerWaalsContact CH2-CD 3.48Å; W34-E36 HydrophobicContact CH2-CG 4.4Å; W34-E36 WeakPolarHBondContact CH2-OE1 3.14Å; E36-T38 VanDerWaalsContact C-N 3.28Å; E36-T38 PolarHBondContact O-N 3.43Å; E36-Y39 HydrophobicContact CB-CE1 4.04Å; E36-Y39 HydrophobicContact CB-CE2 4.16Å; E36-Y39 HydrophobicContact CG-CE1 4.43Å; E36-Y39 PolarHBondContact N-OH 3.08Å; E36-Y39 VanDerWaalsContact N-OH 3.1Å; E36-Y39 WeakPolarHBondContact O-CE2 3.46Å; E36-P54 HydrophobicContact CB-CG 4.32Å; E36-P54 HydrophobicContact CG-CG 3.84Å; E36-A135 WeakPolarHBondContact O-CB 3.47Å
37	T	92.8	Very high	88.5	Confident	83 Å²	83	62 Å²	62	51%	0.509	30%	0.304	S	S	.	.	S	Bend	trans	-72.1	-22.5	-177.6	49.8	0	0	0	0	113.7	H133 A135 T136	T37-H133 WeakPolarHBondContact CG2-NE2 3.36Å; T37-A135 VanDerWaalsContact O-CA 3.27Å; T37-A135 WeakPolarHBondContact O-CA 3.07Å; T37-T136 PolarHBondContact O-N 3.07Å
38	T	95.6	Very high	90.2	Very high	63 Å²	63	58 Å²	58	39%	0.387	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	136.9	-172.3	46.8	0	0	0	0	110.4	E36 T136	E36-T38 VanDerWaalsContact C-N 3.28Å; E36-T38 PolarHBondContact O-N 3.43Å; T38-T136 CarbonylContact C-O 3.5Å; T38-T136 VanDerWaalsContact CA-O 3.27Å; T38-T136 WeakPolarHBondContact CA-O 3.44Å
39	Y	96	Very high	91.3	Very high	1 Å²	1	60.5 Å²	60.5	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.1	174.9	-66	-83.6	0	0	0	109.8	E36 P54 L56 I115 A135 T136 V137 H138	E36-Y39 HydrophobicContact CB-CE1 4.04Å; E36-Y39 HydrophobicContact CB-CE2 4.16Å; E36-Y39 HydrophobicContact CG-CE1 4.43Å; E36-Y39 PolarHBondContact N-OH 3.08Å; E36-Y39 VanDerWaalsContact N-OH 3.1Å; E36-Y39 WeakPolarHBondContact O-CE2 3.46Å; Y39-P54 HydrophobicContact CD1-CG 4.21Å; Y39-P54 VanDerWaalsContact CD1-O 3.26Å; Y39-P54 WeakPolarHBondContact CD1-O 3.32Å; Y39-P54 HydrophobicContact CE1-CG 4.2Å; Y39-L56 HydrophobicContact CE1-CD1 4.26Å; Y39-L56 HydrophobicContact CE2-CD1 4Å; Y39-I115 HydrophobicContact CD2-CG2 4.35Å; Y39-I115 HydrophobicContact CE2-CG2 4.41Å; Y39-A135 HydrophobicContact CD2-CB 4.09Å; Y39-A135 HydrophobicContact CE2-CB 3.92Å; Y39-T136 PolarHBondContact N-O 3.24Å; Y39-V137 HydrophobicContact CD2-CG2 4.34Å; Y39-V137 WeakPolarHBondContact O-CA 3.38Å; Y39-H138 PolarHBondContact O-N 3.03Å
40	H	96.2	Very high	92.1	Very high	111 Å²	111	60.5 Å²	60.5	51%	0.514	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.1	168.6	-62	87.4	0	0	0	108.5	L52 D53 H138	H40-L52 WeakPolarHBondContact O-CA 3.26Å; H40-D53 PolarHBondContact N-O 2.02Å; H40-D53 PolarHBondContact O-N 3.5Å; H40-H138 CarbonylContact C-O 3.53Å; H40-H138 WeakPolarHBondContact CA-O 3.27Å; H40-H138 AromaticContact NE2-CD2 3.88Å
41	G	94	Very high	92.6	Very high	5 Å²	5	59.6 Å²	59.6	5%	0.052	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	146.8	-176.6	0	0	0	0	0	112.3	I51 H138 I139 Q140	G41-I51 CarbonylContact C-O 3.43Å; G41-I51 VanDerWaalsContact CA-O 3.23Å; G41-I51 WeakPolarHBondContact CA-O 3.23Å; G41-H138 PolarHBondContact N-O 3.45Å; G41-I139 WeakPolarHBondContact O-CA 3.4Å; G41-Q140 PolarHBondContact O-N 3.07Å
42	I	94.6	Very high	93	Very high	69 Å²	69	56.9 Å²	56.9	35%	0.354	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.2	165.4	61.3	176.8	0	0	0	109.5	I51 Q140	I42-I51 HydrophobicContact CG1-CB 4.02Å; I42-I51 PolarHBondContact N-O 3.32Å; I42-I51 PolarHBondContact O-N 3.49Å; I42-Q140 WeakPolarHBondContact CA-O 3.25Å
43	V	94.9	Very high	93.2	Very high	4 Å²	4	57 Å²	57	2%	0.024	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	136.6	174.4	61.8	0	0	0	0	107.5	D47 V50 F83 L103 I139 Q140 V141 N142	V43-D47 WeakPolarHBondContact CG2-O 3.46Å; V43-V50 HydrophobicContact CB-CG2 4.16Å; V43-V50 HydrophobicContact CG2-CG2 4.36Å; V43-F83 HydrophobicContact CG1-CE1 4.32Å; V43-F83 HydrophobicContact CG1-CZ 4.47Å; V43-L103 HydrophobicContact CB-CD1 4.28Å; V43-L103 HydrophobicContact CG1-CD1 3.35Å; V43-L103 HydrophobicContact CG2-CD1 3.92Å; V43-I139 HydrophobicContact CB-CG2 4.44Å; V43-I139 HydrophobicContact CG1-CG2 3.57Å; V43-Q140 PolarHBondContact N-O 3.3Å; V43-V141 HydrophobicContact CG1-CG2 4.38Å; V43-V141 CarbonylContact O-C 3.47Å; V43-V141 WeakPolarHBondContact O-CA 3.2Å; V43-N142 PolarHBondContact O-N 2.83Å
44	T	92.4	Very high	93.2	Very high	49 Å²	49	59.2 Å²	59.2	30%	0.301	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	146.3	175	-44.2	0	0	0	0	108.4	N46 D47 N142 I144	T44-N46 VanDerWaalsContact C-N 3.29Å; T44-N46 PolarHBondContact O-N 3.3Å; T44-N46 VanDerWaalsContact O-N 3.14Å; T44-D47 WeakPolarHBondContact O-CA 3.35Å; T44-D47 WeakPolarHBondContact O-CB 3.4Å; T44-D47 PolarHBondContact O-N 3.39Å; T44-N142 WeakPolarHBondContact CA-O 3.46Å; T44-N142 HydrophobicContact CG2-CB 4.28Å; T44-N142 WeakPolarHBondContact CG2-O 3.37Å; T44-I144 HydrophobicContact CG2-CD1 3.75Å; T44-I144 HydrophobicContact CG2-CG1 3.61Å
45	E	89.4	Confident	93.2	Very high	9 Å²	9	57.3 Å²	57.3	4%	0.042	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-37.9	-167.8	-68.1	164	115.2	0	0	115.6	C105 V141 N142 D143 I144	E45-C105 HydrophobicContact CG-CB 4.16Å; E45-C105 WeakPolarHBondContact OE1-CA 3.36Å; E45-C105 WeakPolarHBondContact OE1-CB 3.46Å; E45-C105 PolarHBondContact OE1-N 2.97Å; E45-V141 HydrophobicContact CG-CG1 3.38Å; E45-N142 PolarHBondContact N-O 2.77Å; E45-D143 WeakPolarHBondContact OE2-CA 3.06Å; E45-I144 HydrophobicContact CB-CD1 4.32Å; E45-I144 PolarHBondContact OE2-N 2.93Å
46	N	86.2	Confident	93.2	Very high	89 Å²	89	57.4 Å²	57.4	48%	0.476	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	12.2	176.8	-75.5	-62.2	0	0	0	114	T44 K102 I144 E146	T44-N46 VanDerWaalsContact C-N 3.29Å; T44-N46 PolarHBondContact O-N 3.3Å; T44-N46 VanDerWaalsContact O-N 3.14Å; N46-K102 PolarHBondContact OD1-NZ 2.9Å; N46-I144 HydrophobicContact CB-CD1 3.79Å; N46-I144 VanDerWaalsContact ND2-CD1 3.27Å; N46-I144 WeakPolarHBondContact ND2-CD1 3.46Å; N46-E146 PolarHBondContact ND2-OE1 3.13Å
47	D	90.5	Very high	93.1	Very high	70 Å²	70	56.9 Å²	56.9	37%	0.374	31%	0.307	S	S	.	.			trans	-109.7	140	174.2	-164.4	-17.1	0	0	0	111	V43 T44 K49	V43-D47 WeakPolarHBondContact CG2-O 3.46Å; T44-D47 WeakPolarHBondContact O-CA 3.35Å; T44-D47 WeakPolarHBondContact O-CB 3.4Å; T44-D47 PolarHBondContact O-N 3.39Å; D47-K49 PolarHBondContact OD1-N 2.73Å
48	D	91.1	Very high	93.1	Very high	75 Å²	75	53 Å²	53	40%	0.401	28%	0.284	S	S	.	.			trans	-86	-18.2	175.9	86	-45.1	0	0	0	112.6	R98 A99	D48-R98 CarbonylContact O-C 3.53Å; D48-R98 WeakPolarHBondContact O-CA 3.25Å; D48-R98 WeakPolarHBondContact O-CB 3.13Å; D48-R98 IonicContact OD2-CZ 2.73Å; D48-R98 IonicContact OD2-NH1 3.67Å; D48-R98 PolarHBondContact OD2-NH1 2.84Å; D48-A99 PolarHBondContact O-N 2.9Å
49	K	92.8	Very high	92.9	Very high	111 Å²	111	54.7 Å²	54.7	48%	0.483	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-102.1	118	-168.1	-170.3	-172.2	175.5	-170.6	0	112.7	D47 V96	D47-K49 PolarHBondContact OD1-N 2.73Å; K49-V96 HydrophobicContact CG-CG2 3.91Å
50	V	94.8	Very high	92.5	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.024	29%	0.294	C	S	.	.			trans	-77.4	126.5	172.8	-172.4	0	0	0	0	110.2	V43 L52 F83 I97 I139	V43-V50 HydrophobicContact CB-CG2 4.16Å; V43-V50 HydrophobicContact CG2-CG2 4.36Å; V50-L52 HydrophobicContact CG1-CD2 3.76Å; V50-L52 HydrophobicContact CG1-CG 4.17Å; V50-F83 HydrophobicContact CG2-CD1 3.78Å; V50-F83 HydrophobicContact CG2-CE1 3.72Å; V50-I97 HydrophobicContact CB-CB 4.08Å; V50-I97 HydrophobicContact CB-CG2 4.3Å; V50-I97 WeakPolarHBondContact CB-O 3Å; V50-I97 HydrophobicContact CG2-CB 4.11Å; V50-I97 HydrophobicContact CG2-CG2 3.79Å; V50-I97 WeakPolarHBondContact CG2-O 3.06Å; V50-I97 PolarHBondContact N-O 2.86Å; V50-I139 HydrophobicContact CB-CD1 4.46Å; V50-I139 HydrophobicContact CG1-CD1 3.83Å; V50-I139 HydrophobicContact CG1-CG1 4.22Å; V50-I139 HydrophobicContact CG1-CG2 4.27Å; V50-I139 HydrophobicContact CG2-CD1 3.88Å
51	I	94.3	Very high	92.1	Very high	106 Å²	106	58.3 Å²	58.3	54%	0.544	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	114.7	171.5	-58.5	172.2	0	0	0	107.6	G41 I42	G41-I51 CarbonylContact C-O 3.43Å; G41-I51 VanDerWaalsContact CA-O 3.23Å; G41-I51 WeakPolarHBondContact CA-O 3.23Å; I42-I51 HydrophobicContact CG1-CB 4.02Å; I42-I51 PolarHBondContact N-O 3.32Å; I42-I51 PolarHBondContact O-N 3.49Å
52	L	94.4	Very high	91.6	Very high	23 Å²	23	58.8 Å²	58.8	12%	0.12	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.9	-178.3	-62.8	171.1	0	0	0	111.9	H40 V50 P54 L56 I97 V137	H40-L52 WeakPolarHBondContact O-CA 3.26Å; V50-L52 HydrophobicContact CG1-CD2 3.76Å; V50-L52 HydrophobicContact CG1-CG 4.17Å; L52-P54 CarbonylContact C-O 3.53Å; L52-P54 WeakPolarHBondContact CB-O 3.45Å; L52-P54 CarbonylContact O-C 3.27Å; L52-L56 HydrophobicContact CD1-CB 3.68Å; L52-I97 HydrophobicContact CD1-CB 4.44Å; L52-I97 HydrophobicContact CD1-CD1 3.84Å; L52-I97 HydrophobicContact CD1-CG1 3.95Å; L52-I97 HydrophobicContact CD2-CD1 4.36Å; L52-V137 HydrophobicContact CD2-CG1 4.21Å
53	D	91.6	Very high	90.9	Very high	128 Å²	128	57.8 Å²	57.8	68%	0.684	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	116.9	166.7	-170.7	17.3	0	0	0	109.7	H40	H40-D53 PolarHBondContact N-O 2.02Å; H40-D53 PolarHBondContact O-N 3.5Å
54	P	92.9	Very high	90.2	Very high	46 Å²	46	64.1 Å²	64.1	30%	0.299	35%	0.35	S	S	.	.	S	Bend	cis	-66.7	164.2	-7.7	29.4	-34.7	0	0	0	112.6	E36 Y39 L52	E36-P54 HydrophobicContact CB-CG 4.32Å; E36-P54 HydrophobicContact CG-CG 3.84Å; Y39-P54 HydrophobicContact CD1-CG 4.21Å; Y39-P54 VanDerWaalsContact CD1-O 3.26Å; Y39-P54 WeakPolarHBondContact CD1-O 3.32Å; Y39-P54 HydrophobicContact CE1-CG 4.2Å; L52-P54 CarbonylContact C-O 3.53Å; L52-P54 WeakPolarHBondContact CB-O 3.45Å; L52-P54 CarbonylContact O-C 3.27Å
55	P	93.2	Very high	89.5	Confident	78 Å²	78	65.6 Å²	65.6	51%	0.506	36%	0.355	S	S	.	.			trans	-62.9	149.2	175.5	27	-36.2	0	0	0	112.5	I57	P55-I57 HydrophobicContact CB-CD1 4.48Å; P55-I57 HydrophobicContact CB-CG1 4.48Å; P55-I57 HydrophobicContact CG-CD1 4.05Å; P55-I57 HydrophobicContact CG-CG1 4.49Å; P55-I57 PolarHBondContact O-N 2.93Å
56	L	94.9	Very high	88.9	Confident	3 Å²	3	73.6 Å²	73.6	2%	0.016	39%	0.385	C	S	.	.			trans	-74.1	96.6	179.8	178.6	63.4	0	0	0	111.2	Y39 L52 F74 G95 I97 I115	Y39-L56 HydrophobicContact CE1-CD1 4.26Å; Y39-L56 HydrophobicContact CE2-CD1 4Å; L52-L56 HydrophobicContact CD1-CB 3.68Å; L56-F74 HydrophobicContact CD1-CD1 3.96Å; L56-F74 HydrophobicContact CD1-CE1 3.62Å; L56-F74 HydrophobicContact CD1-CZ 4.25Å; L56-F74 HydrophobicContact CD2-CD1 4.06Å; L56-F74 HydrophobicContact CD2-CD2 4.28Å; L56-F74 HydrophobicContact CD2-CE1 4.16Å; L56-F74 HydrophobicContact CD2-CE2 4.41Å; L56-F74 HydrophobicContact CD2-CG 4.11Å; L56-F74 HydrophobicContact CD2-CZ 4.34Å; L56-F74 HydrophobicContact CG-CD1 4.18Å; L56-F74 HydrophobicContact CG-CE1 3.79Å; L56-F74 HydrophobicContact CG-CE2 4.41Å; L56-F74 HydrophobicContact CG-CZ 3.93Å; L56-G95 PolarHBondContact O-N 2.88Å; L56-I97 HydrophobicContact CD2-CD1 4.5Å; L56-I97 HydrophobicContact CD2-CG1 3.99Å; L56-I115 HydrophobicContact CD1-CD1 4.25Å; L56-I115 HydrophobicContact CD2-CD1 3.82Å
57	I	93.3	Very high	88.7	Confident	67 Å²	67	72 Å²	72	34%	0.344	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-125.8	132.5	177.2	-57.8	174.2	0	0	0	108.9	P55 L59 G93	P55-I57 HydrophobicContact CB-CD1 4.48Å; P55-I57 HydrophobicContact CB-CG1 4.48Å; P55-I57 HydrophobicContact CG-CD1 4.05Å; P55-I57 HydrophobicContact CG-CG1 4.49Å; P55-I57 PolarHBondContact O-N 2.93Å; I57-L59 HydrophobicContact CG2-CD2 3.83Å; I57-L59 HydrophobicContact CG2-CG 4.25Å; I57-G93 WeakPolarHBondContact CA-O 3.44Å
58	A	92.3	Very high	88.1	Confident	2 Å²	2	68.8 Å²	68.8	2%	0.017	36%	0.357	C	S	.	.			trans	-111.9	124.3	173.4	0	0	0	0	0	111	W34 I35 I71 F74 G93 A117	W34-A58 CarbonylContact O-C 3.59Å; W34-A58 WeakPolarHBondContact O-CA 3.44Å; I35-A58 HydrophobicContact CG2-CB 3.59Å; A58-I71 HydrophobicContact CB-CD1 3.82Å; A58-I71 HydrophobicContact CB-CG1 3.85Å; A58-I71 HydrophobicContact CB-CG2 4.19Å; A58-F74 HydrophobicContact CB-CE1 3.74Å; A58-F74 HydrophobicContact CB-CZ 3.74Å; A58-G93 PolarHBondContact N-O 3.45Å; A58-G93 WeakPolarHBondContact O-CA 3.49Å; A58-A117 HydrophobicContact CB-CB 3.62Å
59	L	90.8	Very high	87.6	Confident	98 Å²	98	65.6 Å²	65.6	51%	0.513	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-111.2	126.7	-176.6	-59.1	177.1	0	0	0	110.5	W34 I57	W34-L59 PolarHBondContact N-O 3.01Å; W34-L59 PolarHBondContact O-N 2.87Å; I57-L59 HydrophobicContact CG2-CD2 3.83Å; I57-L59 HydrophobicContact CG2-CG 4.25Å
60	D	87.9	Confident	87.4	Confident	16 Å²	16	62.7 Å²	62.7	9%	0.086	33%	0.329	C	S	.	.			trans	-110.9	143.5	169.7	-152.4	-58.9	0	0	0	111.6	H31 P33 D62 A63	H31-D60 VanDerWaalsContact CB-OD1 3.3Å; H31-D60 WeakPolarHBondContact CB-OD1 3.01Å; P33-D60 VanDerWaalsContact CA-OD2 3.3Å; P33-D60 WeakPolarHBondContact CA-OD2 3.33Å; P33-D60 VanDerWaalsContact CD-OD2 3.27Å; P33-D60 WeakPolarHBondContact CD-OD2 3.36Å; D60-D62 VanDerWaalsContact C-N 3.3Å; D60-D62 PolarHBondContact OD1-N 3.2Å; D60-A63 WeakPolarHBondContact O-CB 3.29Å; D60-A63 PolarHBondContact O-N 2.73Å
61	K	87.2	Confident	87.3	Confident	173 Å²	173	62.6 Å²	62.6	75%	0.752	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-11.6	176.7	-70	-175.1	177.6	-176.1	0	113.3	H31 A63	H31-K61 HydrophobicContact CB-CB 3.94Å; K61-A63 VanDerWaalsContact C-N 3.28Å
62	D	84.1	Confident	87	Confident	14 Å²	14	60.1 Å²	60.1	8%	0.075	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-7.6	169.9	-71.6	-18.4	0	0	0	112.1	K30 H31 D60 L65 A68	K30-D62 PolarHBondContact N-OD2 3.39Å; H31-D62 IonicContact CE1-OD1 3.29Å; H31-D62 IonicContact CG-OD1 2.97Å; H31-D62 PolarHBondContact N-OD2 2.9Å; H31-D62 IonicContact ND1-OD1 2.69Å; H31-D62 PolarHBondContact ND1-OD1 3.09Å; D60-D62 VanDerWaalsContact C-N 3.3Å; D60-D62 PolarHBondContact OD1-N 3.2Å; D62-L65 HydrophobicContact CB-CD1 4.24Å; D62-L65 WeakPolarHBondContact O-CB 3.19Å; D62-L65 WeakPolarHBondContact O-CD1 3.33Å; D62-L65 WeakPolarHBondContact O-CG 3.49Å; D62-L65 PolarHBondContact O-N 3.37Å; D62-A68 HydrophobicContact CB-CB 4.3Å
63	A	79.7	Confident	86.8	Confident	49 Å²	49	60 Å²	60	41%	0.405	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	140.4	172.1	0	0	0	0	0	112.1	D60 K61	D60-A63 WeakPolarHBondContact O-CB 3.29Å; D60-A63 PolarHBondContact O-N 2.73Å; K61-A63 VanDerWaalsContact C-N 3.28Å
64	P	80.2	Confident	87	Confident	137 Å²	137	54.7 Å²	54.7	89%	0.89	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	cis	-96.7	38.2	7.5	39.8	-36.9	0	0	0	113.6	R66	P64-R66 PolarHBondContact O-N 3.21Å
65	L	77.4	Confident	86.9	Confident	79 Å²	79	59.9 Å²	59.9	41%	0.414	31%	0.309	S	S	.	.	S	Bend	trans	-65.4	125.3	173.5	-67.2	170.7	0	0	0	110.3	D62 Y67 A68 G69	D62-L65 HydrophobicContact CB-CD1 4.24Å; D62-L65 WeakPolarHBondContact O-CB 3.19Å; D62-L65 WeakPolarHBondContact O-CD1 3.33Å; D62-L65 WeakPolarHBondContact O-CG 3.49Å; D62-L65 PolarHBondContact O-N 3.37Å; L65-Y67 PolarHBondContact O-N 2.95Å; L65-A68 HydrophobicContact CB-CB 4.32Å; L65-G69 WeakPolarHBondContact O-CA 3.5Å; L65-G69 PolarHBondContact O-N 3.07Å
66	R	77.5	Confident	87	Confident	178 Å²	178	57.8 Å²	57.8	67%	0.672	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	136.2	175.1	-161.4	-172.5	-174.5	-153.1	-0.1	110.4	P64 A68 E70	P64-R66 PolarHBondContact O-N 3.21Å; R66-A68 PolarHBondContact O-N 2.79Å; R66-E70 WeakPolarHBondContact CA-OE1 3.17Å; R66-E70 VanDerWaalsContact CG-OE1 3.25Å; R66-E70 WeakPolarHBondContact CG-OE1 3.3Å
67	Y	81	Confident	86.8	Confident	54 Å²	54	60.1 Å²	60.1	21%	0.212	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	-64	-168.6	-48.8	-81	0	0	0	114.7	L65 G69 E70 C120 G121 P124	L65-Y67 PolarHBondContact O-N 2.95Å; Y67-G69 VanDerWaalsContact C-N 3.27Å; Y67-G69 PolarHBondContact O-N 2.76Å; Y67-E70 PolarHBondContact N-OE1 2.85Å; Y67-E70 PolarHBondContact O-N 3.32Å; Y67-C120 HydrophobicContact CD1-CB 4.26Å; Y67-C120 VanDerWaalsContact O-CB 3.32Å; Y67-C120 WeakPolarHBondContact O-CB 3.3Å; Y67-C120 PolarHBondContact O-N 2.81Å; Y67-G121 CarbonylContact C-O 3.51Å; Y67-G121 VanDerWaalsContact C-O 3.27Å; Y67-G121 VanDerWaalsContact CB-O 3.25Å; Y67-G121 WeakPolarHBondContact CB-O 3.27Å; Y67-P124 HydrophobicContact CE1-CB 4.06Å
68	A	78.8	Confident	86.4	Confident	4 Å²	4	59.6 Å²	59.6	3%	0.033	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.4	-169.8	0	0	0	0	0	113.9	N29 D62 L65 R66 G121	N29-A68 HydrophobicContact CB-CB 3.93Å; D62-A68 HydrophobicContact CB-CB 4.3Å; L65-A68 HydrophobicContact CB-CB 4.32Å; R66-A68 PolarHBondContact O-N 2.79Å; A68-G121 VanDerWaalsContact CA-O 3.26Å; A68-G121 WeakPolarHBondContact CA-O 3.43Å; A68-G121 PolarHBondContact N-O 3.2Å; A68-G121 VanDerWaalsContact N-O 3.09Å
69	G	80.1	Confident	85.7	Confident	8 Å²	8	67.9 Å²	67.9	8%	0.082	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	6.9	173.5	0	0	0	0	0	114.7	L65 Y67	L65-G69 WeakPolarHBondContact O-CA 3.5Å; L65-G69 PolarHBondContact O-N 3.07Å; Y67-G69 VanDerWaalsContact C-N 3.27Å; Y67-G69 PolarHBondContact O-N 2.76Å
70	E	89.4	Confident	85.4	Confident	49 Å²	49	70.3 Å²	70.3	23%	0.229	37%	0.366	C	S	.	.	S	Bend	trans	-98.7	142.7	177.9	-72.3	171.3	-153.1	0	0	110.5	R66 Y67 K90 D119 C120	R66-E70 WeakPolarHBondContact CA-OE1 3.17Å; R66-E70 VanDerWaalsContact CG-OE1 3.25Å; R66-E70 WeakPolarHBondContact CG-OE1 3.3Å; Y67-E70 PolarHBondContact N-OE1 2.85Å; Y67-E70 PolarHBondContact O-N 3.32Å; E70-K90 CarbonylContact C-O 3.54Å; E70-K90 VanDerWaalsContact CA-O 3.25Å; E70-K90 WeakPolarHBondContact CA-O 3.47Å; E70-K90 HydrophobicContact CB-CB 4.43Å; E70-D119 CarbonylContact O-C 3.38Å; E70-D119 VanDerWaalsContact O-CA 3.23Å; E70-D119 WeakPolarHBondContact O-CA 3.43Å; E70-C120 HydrophobicContact CB-CB 4.29Å; E70-C120 PolarHBondContact O-N 2.89Å; E70-C120 PolarHBondContact O-SG 3.01Å
71	I	91.6	Very high	85.5	Confident	3 Å²	3	70.5 Å²	70.5	2%	0.015	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116.2	178	-54.2	-60.5	0	0	0	109.4	P33 A58 F74 V87 K90	P33-I71 HydrophobicContact CB-CD1 3.65Å; P33-I71 HydrophobicContact CG-CD1 4.45Å; A58-I71 HydrophobicContact CB-CD1 3.82Å; A58-I71 HydrophobicContact CB-CG1 3.85Å; A58-I71 HydrophobicContact CB-CG2 4.19Å; I71-F74 HydrophobicContact CG2-CE2 4.19Å; I71-F74 HydrophobicContact CG2-CZ 4.22Å; I71-V87 HydrophobicContact CG2-CG2 4.5Å; I71-K90 PolarHBondContact N-O 2.85Å; I71-K90 WeakPolarHBondContact O-CB 3.26Å; I71-K90 WeakPolarHBondContact O-CG 3.42Å
72	C	88.1	Confident	85.8	Confident	54 Å²	54	63.5 Å²	63.5	37%	0.365	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-13.2	-178.2	-97	0	0	0	0	114.5	Y118 C120	C72-Y118 PolarHBondContact N-O 2.9Å; C72-C120 VanDerWaalsContact CA-SG 3.53Å; C72-C120 HydrophobicContact CB-CB 3.83Å; C72-C120 WeakPolarHBondContact CB-SG 3.49Å; C72-C120 PolarHBondContact N-SG 3.14Å; C72-C120 VanDerWaalsContact SG-CA 3.57Å; C72-C120 WeakPolarHBondContact SG-CB 3.23Å; C72-C120 CovalentContact SG-SG 2.02Å; C72-C120 PolarHBondContact SG-SG 2.69Å
73	G	91	Very high	86.3	Confident	20 Å²	20	62.9 Å²	62.9	21%	0.206	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	151.1	176.1	0	0	0	0	0	115.2	Y118	G73-Y118 PolarHBondContact N-O 2.84Å; G73-Y118 WeakPolarHBondContact O-CB 3.27Å; G73-Y118 PolarHBondContact O-N 2.92Å
74	F	94.6	Very high	87	Confident	16 Å²	16	64.9 Å²	64.9	7%	0.07	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.7	162.5	-67.1	-83.7	0	0	0	108.3	I35 L56 A58 I71 A85 V87 G93 I115 A117	I35-F74 HydrophobicContact CG2-CE1 4.28Å; L56-F74 HydrophobicContact CD1-CD1 3.96Å; L56-F74 HydrophobicContact CD1-CE1 3.62Å; L56-F74 HydrophobicContact CD1-CZ 4.25Å; L56-F74 HydrophobicContact CD2-CD1 4.06Å; L56-F74 HydrophobicContact CD2-CD2 4.28Å; L56-F74 HydrophobicContact CD2-CE1 4.16Å; L56-F74 HydrophobicContact CD2-CE2 4.41Å; L56-F74 HydrophobicContact CD2-CG 4.11Å; L56-F74 HydrophobicContact CD2-CZ 4.34Å; L56-F74 HydrophobicContact CG-CD1 4.18Å; L56-F74 HydrophobicContact CG-CE1 3.79Å; L56-F74 HydrophobicContact CG-CE2 4.41Å; L56-F74 HydrophobicContact CG-CZ 3.93Å; A58-F74 HydrophobicContact CB-CE1 3.74Å; A58-F74 HydrophobicContact CB-CZ 3.74Å; I71-F74 HydrophobicContact CG2-CE2 4.19Å; I71-F74 HydrophobicContact CG2-CZ 4.22Å; F74-A85 HydrophobicContact CB-CB 3.54Å; F74-V87 HydrophobicContact CD2-CG2 3.72Å; F74-V87 HydrophobicContact CE2-CG2 3.99Å; F74-G93 WeakPolarHBondContact CZ-O 3.47Å; F74-I115 HydrophobicContact CB-CD1 4.13Å; F74-I115 HydrophobicContact CB-CG1 4.32Å; F74-I115 HydrophobicContact CD1-CD1 4.39Å; F74-A117 HydrophobicContact CD1-CB 3.89Å; F74-A117 HydrophobicContact CE1-CB 3.78Å
75	R	92.4	Very high	87.6	Confident	155 Å²	155	59.2 Å²	59.2	59%	0.585	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.1	178.6	-164.3	170.4	-176.1	146.2	1.8	110.5	H77 Q116 Y118	R75-H77 PolarHBondContact O-CD2 2.83Å; R75-H77 VanDerWaalsContact O-CD2 3.27Å; R75-Q116 PolarHBondContact N-O 2.72Å; R75-Q116 PolarHBondContact O-N 2.99Å; R75-Y118 HydrophobicContact CB-CD2 4.14Å; R75-Y118 HydrophobicContact CB-CE2 3.56Å
76	I	94.8	Very high	88.4	Confident	34 Å²	34	57.9 Å²	57.9	17%	0.174	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	138.8	170.8	-68.7	173.4	0	0	0	109.2	V81 F83 A85 F113 T114 I115	I76-V81 HydrophobicContact CG2-CB 4.08Å; I76-V81 HydrophobicContact CG2-CG1 3.86Å; I76-V81 HydrophobicContact CG2-CG2 4.24Å; I76-F83 HydrophobicContact CD1-CB 4.03Å; I76-F83 WeakPolarHBondContact CD1-O 3.35Å; I76-A85 HydrophobicContact CD1-CB 4.05Å; I76-A85 HydrophobicContact CG1-CB 4.16Å; I76-F113 HydrophobicContact CB-CD2 4.4Å; I76-F113 HydrophobicContact CD1-CD2 4.3Å; I76-F113 HydrophobicContact CD1-CE2 3.63Å; I76-F113 HydrophobicContact CD1-CZ 4.05Å; I76-F113 HydrophobicContact CG1-CD2 4.08Å; I76-F113 HydrophobicContact CG1-CE2 3.75Å; I76-F113 HydrophobicContact CG2-CB 4.38Å; I76-F113 HydrophobicContact CG2-CD2 3.59Å; I76-F113 HydrophobicContact CG2-CE2 4.05Å; I76-F113 HydrophobicContact CG2-CG 4.1Å; I76-T114 CarbonylContact C-O 3.57Å; I76-T114 WeakPolarHBondContact CA-O 3.08Å; I76-I115 HydrophobicContact CG1-CD1 4.21Å; I76-I115 HydrophobicContact CG1-CG1 4.19Å
77	H	91	Very high	89.1	Confident	53 Å²	53	51 Å²	51	25%	0.245	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.4	175.6	-55.7	-104.6	0	0	0	109	R75 T114 Q116	R75-H77 PolarHBondContact O-CD2 2.83Å; R75-H77 VanDerWaalsContact O-CD2 3.27Å; H77-T114 WeakPolarHBondContact CB-OG1 3.34Å; H77-T114 PolarHBondContact N-O 2.79Å; H77-T114 PolarHBondContact O-N 2.95Å; H77-T114 VanDerWaalsContact O-N 3.13Å; H77-T114 PolarHBondContact O-OG1 3.4Å; H77-T114 VanDerWaalsContact O-OG1 3.05Å; H77-Q116 PolarHBondContact NE2-OE1 3.14Å; H77-Q116 VanDerWaalsContact NE2-OE1 3.07Å
78	G	83.6	Confident	89.6	Confident	55 Å²	55	52.8 Å²	52.8	57%	0.567	29%	0.289	S	S	*	.	S	Bend	trans	174.9	161.5	176.4	0	0	0	0	0	108.4
79	Q	79.4	Confident	90.2	Very high	176 Å²	176	55.7 Å²	55.7	82%	0.822	30%	0.304	S	S	*	.	S	Bend	trans	-85	134.8	174.9	-171.7	167.6	-7.9	0	0	109.1	V81	Q79-V81 VanDerWaalsContact C-N 3.26Å; Q79-V81 PolarHBondContact O-N 2.81Å; Q79-V81 VanDerWaalsContact O-N 3.14Å
80	N	82.9	Confident	90.5	Very high	149 Å²	149	60.2 Å²	60.2	80%	0.797	32%	0.321	S	S	*	.	S	Bend	trans	49	38	177	-59.6	3	0	0	0	115.3	P82	N80-P82 WeakPolarHBondContact O-CD 3.03Å
81	V	91.3	Very high	90.3	Very high	20 Å²	20	62 Å²	62	12%	0.121	34%	0.338	C	S	.	.			trans	-74.7	119.7	179	-177.1	0	0	0	0	109.9	I76 Q79 F83 K100 F113	I76-V81 HydrophobicContact CG2-CB 4.08Å; I76-V81 HydrophobicContact CG2-CG1 3.86Å; I76-V81 HydrophobicContact CG2-CG2 4.24Å; Q79-V81 VanDerWaalsContact C-N 3.26Å; Q79-V81 PolarHBondContact O-N 2.81Å; Q79-V81 VanDerWaalsContact O-N 3.14Å; V81-F83 HydrophobicContact CG1-CB 4.09Å; V81-F83 HydrophobicContact CG1-CD2 3.86Å; V81-F83 HydrophobicContact CG1-CG 4.49Å; V81-F83 PolarHBondContact O-N 2.8Å; V81-K100 PolarHBondContact O-NZ 2.87Å; V81-F113 HydrophobicContact CG1-CB 4.06Å; V81-F113 HydrophobicContact CG1-CD1 3.43Å; V81-F113 VanDerWaalsContact CG1-CD1 3.43Å; V81-F113 HydrophobicContact CG1-CD2 4.38Å; V81-F113 HydrophobicContact CG1-CE1 3.86Å; V81-F113 HydrophobicContact CG1-CG 3.71Å; V81-F113 HydrophobicContact CG1-CZ 4.47Å; V81-F113 HydrophobicContact CG2-CB 3.79Å; V81-F113 HydrophobicContact CG2-CG 4.37Å
82	P	92.6	Very high	90.1	Very high	27 Å²	27	65 Å²	65	18%	0.175	36%	0.358	C	S	.	.			trans	-75.9	13.3	-176.2	32.2	-35.6	0	0	0	113.4	N80 K100 L103	N80-P82 WeakPolarHBondContact O-CD 3.03Å; P82-K100 WeakPolarHBondContact O-CB 3.37Å; P82-K100 PolarHBondContact O-N 2.88Å; P82-L103 HydrophobicContact CB-CD2 4.25Å; P82-L103 HydrophobicContact CG-CD2 4.06Å
83	F	94.8	Very high	90.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	147.3	-178.7	-58.8	-84.2	0	0	0	112.8	V43 V50 I76 V81 I97 R98 A99 K100 L103 H111 F113 I139	V43-F83 HydrophobicContact CG1-CE1 4.32Å; V43-F83 HydrophobicContact CG1-CZ 4.47Å; V50-F83 HydrophobicContact CG2-CD1 3.78Å; V50-F83 HydrophobicContact CG2-CE1 3.72Å; I76-F83 HydrophobicContact CD1-CB 4.03Å; I76-F83 WeakPolarHBondContact CD1-O 3.35Å; V81-F83 HydrophobicContact CG1-CB 4.09Å; V81-F83 HydrophobicContact CG1-CD2 3.86Å; V81-F83 HydrophobicContact CG1-CG 4.49Å; V81-F83 PolarHBondContact O-N 2.8Å; F83-I97 HydrophobicContact CB-CG2 3.77Å; F83-I97 HydrophobicContact CD1-CG2 3.95Å; F83-I97 HydrophobicContact CG-CG2 4.14Å; F83-R98 CarbonylContact C-O 3.54Å; F83-R98 WeakPolarHBondContact CA-O 3.45Å; F83-A99 HydrophobicContact CD1-CB 4.39Å; F83-A99 HydrophobicContact CE1-CB 4.28Å; F83-K100 VanDerWaalsContact C-CE 3.43Å; F83-K100 WeakPolarHBondContact O-CE 3.15Å; F83-K100 PolarHBondContact O-NZ 2.85Å; F83-L103 HydrophobicContact CE1-CD1 3.83Å; F83-L103 HydrophobicContact CE1-CD2 4.41Å; F83-L103 HydrophobicContact CZ-CD1 3.79Å; F83-L103 HydrophobicContact CZ-CD2 3.97Å; F83-H111 HydrophobicContact CE2-CB 3.74Å; F83-H111 AromaticContact CE2-CD2 3.47Å; F83-H111 VanDerWaalsContact CE2-CD2 3.47Å; F83-H111 WeakPolarHBondContact CE2-CD2 3.5Å; F83-H111 AromaticContact CE2-CG 3.64Å; F83-H111 AromaticContact CZ-CD2 3.65Å; F83-F113 HydrophobicContact CB-CE1 4.13Å; F83-F113 HydrophobicContact CB-CZ 4.03Å; F83-F113 HydrophobicContact CD2-CD1 4.24Å; F83-F113 AromaticContact CD2-CE1 3.5Å; F83-F113 HydrophobicContact CD2-CE1 3.5Å; F83-F113 HydrophobicContact CD2-CZ 4.22Å; F83-F113 HydrophobicContact CE2-CE1 4.18Å; F83-F113 AromaticContact CG-CE1 3.96Å; F83-F113 HydrophobicContact CG-CE1 3.96Å; F83-F113 HydrophobicContact CG-CZ 4.21Å; F83-I139 HydrophobicContact CD1-CD1 3.8Å; F83-I139 HydrophobicContact CD2-CD1 4.06Å; F83-I139 HydrophobicContact CE1-CD1 3.69Å; F83-I139 HydrophobicContact CE1-CG2 4.3Å; F83-I139 HydrophobicContact CE2-CD1 3.97Å; F83-I139 HydrophobicContact CG-CD1 3.99Å; F83-I139 HydrophobicContact CZ-CB 4.35Å; F83-I139 HydrophobicContact CZ-CD1 3.8Å; F83-I139 HydrophobicContact CZ-CG2 3.97Å
84	E	93.9	Very high	90.2	Very high	91 Å²	91	65.9 Å²	65.9	43%	0.425	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	160.2	165.2	61.2	170	-148.7	0	0	111.3	V86 I97 R98 K100	E84-V86 HydrophobicContact CG-CG2 4.43Å; E84-I97 CarbonylContact O-C 3.59Å; E84-I97 VanDerWaalsContact O-CA 3.31Å; E84-I97 WeakPolarHBondContact O-CA 3.44Å; E84-I97 WeakPolarHBondContact O-CG2 3.42Å; E84-R98 HydrophobicContact CG-CB 4.2Å; E84-R98 PolarHBondContact N-O 2.85Å; E84-R98 PolarHBondContact O-N 2.84Å; E84-K100 HydrophobicContact CB-CG 4.21Å; E84-K100 HydrophobicContact CG-CG 4.19Å
85	A	93.7	Very high	90.1	Very high	19 Å²	19	65.5 Å²	65.5	16%	0.157	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122	177.7	0	0	0	0	0	109.6	F74 I76 V96 I97 I115	F74-A85 HydrophobicContact CB-CB 3.54Å; I76-A85 HydrophobicContact CD1-CB 4.05Å; I76-A85 HydrophobicContact CG1-CB 4.16Å; A85-V96 WeakPolarHBondContact CA-O 3.41Å; A85-I97 HydrophobicContact CB-CG1 4.29Å; A85-I115 HydrophobicContact CB-CD1 3.74Å
86	V	92.9	Very high	90.2	Very high	50 Å²	50	58.6 Å²	58.6	30%	0.303	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.2	-172.6	-176.6	0	0	0	0	108.9	E84 G95 V96	E84-V86 HydrophobicContact CG-CG2 4.43Å; V86-G95 CarbonylContact O-C 3.59Å; V86-G95 WeakPolarHBondContact O-CA 3.31Å; V86-V96 HydrophobicContact CB-CG1 4.19Å; V86-V96 PolarHBondContact N-O 3.1Å; V86-V96 PolarHBondContact O-N 3.02Å
87	V	92.8	Very high	90.2	Very high	34 Å²	34	57 Å²	57	21%	0.206	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	125	171.6	-177.7	0	0	0	0	108.4	I71 F74 K90	I71-V87 HydrophobicContact CG2-CG2 4.5Å; F74-V87 HydrophobicContact CD2-CG2 3.72Å; F74-V87 HydrophobicContact CE2-CG2 3.99Å; V87-K90 HydrophobicContact CG1-CG 4.05Å
88	L	91.8	Very high	90.4	Very high	92 Å²	92	58.8 Å²	58.8	48%	0.482	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-46.3	175.5	-65.5	-178	0	0	0	111	E94 V96	L88-E94 HydrophobicContact CB-CG 4.48Å; L88-E94 HydrophobicContact CD1-CG 4.27Å; L88-E94 PolarHBondContact N-O 3.02Å; L88-V96 HydrophobicContact CD1-CB 4.11Å; L88-V96 HydrophobicContact CD1-CG1 4.26Å; L88-V96 HydrophobicContact CD2-CG1 3.77Å; L88-V96 HydrophobicContact CG-CB 4.31Å; L88-V96 HydrophobicContact CG-CG1 4.03Å
89	D	90.9	Very high	90.9	Very high	65 Å²	65	56.9 Å²	56.9	35%	0.348	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	120.5	177.1	-177.8	-19	0	0	0	110.3	S91 T92 G93 E94	D89-S91 VanDerWaalsContact C-N 3.28Å; D89-S91 PolarHBondContact O-N 2.84Å; D89-S91 WeakPolarHBondContact OD1-CA 3.4Å; D89-S91 WeakPolarHBondContact OD1-CB 3.23Å; D89-S91 PolarHBondContact OD1-N 2.93Å; D89-S91 PolarHBondContact OD1-OG 3.35Å; D89-S91 PolarHBondContact OD2-OG 2.74Å; D89-T92 WeakPolarHBondContact CB-OG1 3.4Å; D89-T92 PolarHBondContact OD1-N 3.33Å; D89-G93 WeakPolarHBondContact O-CA 3.1Å; D89-G93 PolarHBondContact O-N 3.36Å; D89-E94 PolarHBondContact N-O 2.93Å; D89-E94 PolarHBondContact O-N 3.43Å
90	K	87.6	Confident	91.4	Very high	103 Å²	103	53.9 Å²	53.9	45%	0.448	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.5	-178.4	-59.6	-167.9	173.3	-169.6	0	113.5	E70 I71 V87	E70-K90 CarbonylContact C-O 3.54Å; E70-K90 VanDerWaalsContact CA-O 3.25Å; E70-K90 WeakPolarHBondContact CA-O 3.47Å; E70-K90 HydrophobicContact CB-CB 4.43Å; I71-K90 PolarHBondContact N-O 2.85Å; I71-K90 WeakPolarHBondContact O-CB 3.26Å; I71-K90 WeakPolarHBondContact O-CG 3.42Å; V87-K90 HydrophobicContact CG1-CG 4.05Å
91	S	84.8	Confident	91.8	Very high	85 Å²	85	53.7 Å²	53.7	59%	0.594	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-31.1	-174.7	72.2	0	0	0	0	113.1	D89	D89-S91 VanDerWaalsContact C-N 3.28Å; D89-S91 PolarHBondContact O-N 2.84Å; D89-S91 WeakPolarHBondContact OD1-CA 3.4Å; D89-S91 WeakPolarHBondContact OD1-CB 3.23Å; D89-S91 PolarHBondContact OD1-N 2.93Å; D89-S91 PolarHBondContact OD1-OG 3.35Å; D89-S91 PolarHBondContact OD2-OG 2.74Å
92	T	87.2	Confident	91.7	Very high	68 Å²	68	60.8 Å²	60.8	42%	0.417	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-22.4	170.8	63.7	0	0	0	0	112.4	D89 E94	D89-T92 WeakPolarHBondContact CB-OG1 3.4Å; D89-T92 PolarHBondContact OD1-N 3.33Å; T92-E94 VanDerWaalsContact C-N 3.33Å; T92-E94 WeakPolarHBondContact OG1-CB 3.47Å; T92-E94 PolarHBondContact OG1-N 3.18Å
93	G	88	Confident	91.6	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.01	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	17.3	-174.5	0	0	0	0	0	114	I57 A58 F74 D89	I57-G93 WeakPolarHBondContact CA-O 3.44Å; A58-G93 PolarHBondContact N-O 3.45Å; A58-G93 WeakPolarHBondContact O-CA 3.49Å; F74-G93 WeakPolarHBondContact CZ-O 3.47Å; D89-G93 WeakPolarHBondContact O-CA 3.1Å; D89-G93 PolarHBondContact O-N 3.36Å
94	E	92.8	Very high	91.5	Very high	90 Å²	90	63.5 Å²	63.5	42%	0.421	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	135.8	177.6	-169.6	-179.4	171.3	0	0	111.4	L88 D89 T92	L88-E94 HydrophobicContact CB-CG 4.48Å; L88-E94 HydrophobicContact CD1-CG 4.27Å; L88-E94 PolarHBondContact N-O 3.02Å; D89-E94 PolarHBondContact N-O 2.93Å; D89-E94 PolarHBondContact O-N 3.43Å; T92-E94 VanDerWaalsContact C-N 3.33Å; T92-E94 WeakPolarHBondContact OG1-CB 3.47Å; T92-E94 PolarHBondContact OG1-N 3.18Å
95	G	93	Very high	91.4	Very high	8 Å²	8	59.3 Å²	59.3	8%	0.082	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	168.6	175.6	0	0	0	0	0	113	L56 V86	L56-G95 PolarHBondContact O-N 2.88Å; V86-G95 CarbonylContact O-C 3.59Å; V86-G95 WeakPolarHBondContact O-CA 3.31Å
96	V	94.6	Very high	91.3	Very high	11 Å²	11	61.4 Å²	61.4	7%	0.067	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.1	175.7	66.7	0	0	0	0	109.7	K49 A85 V86 L88 R98	K49-V96 HydrophobicContact CG-CG2 3.91Å; A85-V96 WeakPolarHBondContact CA-O 3.41Å; V86-V96 HydrophobicContact CB-CG1 4.19Å; V86-V96 PolarHBondContact N-O 3.1Å; V86-V96 PolarHBondContact O-N 3.02Å; L88-V96 HydrophobicContact CD1-CB 4.11Å; L88-V96 HydrophobicContact CD1-CG1 4.26Å; L88-V96 HydrophobicContact CD2-CG1 3.77Å; L88-V96 HydrophobicContact CG-CB 4.31Å; L88-V96 HydrophobicContact CG-CG1 4.03Å; V96-R98 HydrophobicContact CG1-CG 4.4Å
97	I	95.5	Very high	91.2	Very high	1 Å²	1	66 Å²	66	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	135.8	169.9	-60.9	-179.2	0	0	0	108.1	V50 L52 L56 F83 E84 A85 F113 I115 V137 I139	V50-I97 HydrophobicContact CB-CB 4.08Å; V50-I97 HydrophobicContact CB-CG2 4.3Å; V50-I97 WeakPolarHBondContact CB-O 3Å; V50-I97 HydrophobicContact CG2-CB 4.11Å; V50-I97 HydrophobicContact CG2-CG2 3.79Å; V50-I97 WeakPolarHBondContact CG2-O 3.06Å; V50-I97 PolarHBondContact N-O 2.86Å; L52-I97 HydrophobicContact CD1-CB 4.44Å; L52-I97 HydrophobicContact CD1-CD1 3.84Å; L52-I97 HydrophobicContact CD1-CG1 3.95Å; L52-I97 HydrophobicContact CD2-CD1 4.36Å; L56-I97 HydrophobicContact CD2-CD1 4.5Å; L56-I97 HydrophobicContact CD2-CG1 3.99Å; F83-I97 HydrophobicContact CB-CG2 3.77Å; F83-I97 HydrophobicContact CD1-CG2 3.95Å; F83-I97 HydrophobicContact CG-CG2 4.14Å; E84-I97 CarbonylContact O-C 3.59Å; E84-I97 VanDerWaalsContact O-CA 3.31Å; E84-I97 WeakPolarHBondContact O-CA 3.44Å; E84-I97 WeakPolarHBondContact O-CG2 3.42Å; A85-I97 HydrophobicContact CB-CG1 4.29Å; I97-F113 HydrophobicContact CD1-CE2 4.17Å; I97-F113 HydrophobicContact CD1-CZ 4.08Å; I97-F113 HydrophobicContact CG2-CZ 4.24Å; I97-I115 HydrophobicContact CD1-CD1 3.93Å; I97-I115 HydrophobicContact CG1-CD1 4.26Å; I97-V137 HydrophobicContact CD1-CG1 3.98Å; I97-V137 HydrophobicContact CD1-CG2 4.21Å; I97-I139 HydrophobicContact CG2-CD1 4.2Å
98	R	94.1	Very high	91.1	Very high	90 Å²	90	69 Å²	69	34%	0.34	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.6	176.7	-64.1	-177.6	-177.2	-128.6	7	111.6	D48 F83 E84 V96	D48-R98 CarbonylContact O-C 3.53Å; D48-R98 WeakPolarHBondContact O-CA 3.25Å; D48-R98 WeakPolarHBondContact O-CB 3.13Å; D48-R98 IonicContact OD2-CZ 2.73Å; D48-R98 IonicContact OD2-NH1 3.67Å; D48-R98 PolarHBondContact OD2-NH1 2.84Å; F83-R98 CarbonylContact C-O 3.54Å; F83-R98 WeakPolarHBondContact CA-O 3.45Å; E84-R98 HydrophobicContact CG-CB 4.2Å; E84-R98 PolarHBondContact N-O 2.85Å; E84-R98 PolarHBondContact O-N 2.84Å; V96-R98 HydrophobicContact CG1-CG 4.4Å
99	A	93.8	Very high	91.1	Very high	14 Å²	14	69 Å²	69	12%	0.116	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	140.7	165.8	0	0	0	0	0	110.1	D48 F83 L103	D48-A99 PolarHBondContact O-N 2.9Å; F83-A99 HydrophobicContact CD1-CB 4.39Å; F83-A99 HydrophobicContact CE1-CB 4.28Å; A99-L103 HydrophobicContact CB-CD1 4.05Å; A99-L103 HydrophobicContact CB-CD2 4.41Å; A99-L103 HydrophobicContact CB-CG 4.07Å
100	K	91.1	Very high	91.2	Very high	114 Å²	114	71 Å²	71	50%	0.496	35%	0.347	S	S	.	.	S	Bend	trans	-87.9	-28.2	177	-65.4	170.5	-177.7	147.4	0	112.6	V81 P82 F83 E84	V81-K100 PolarHBondContact O-NZ 2.87Å; P82-K100 WeakPolarHBondContact O-CB 3.37Å; P82-K100 PolarHBondContact O-N 2.88Å; F83-K100 VanDerWaalsContact C-CE 3.43Å; F83-K100 WeakPolarHBondContact O-CE 3.15Å; F83-K100 PolarHBondContact O-NZ 2.85Å; E84-K100 HydrophobicContact CB-CG 4.21Å; E84-K100 HydrophobicContact CG-CG 4.19Å
101	E	89.7	Confident	91.4	Very high	145 Å²	145	66.9 Å²	66.9	68%	0.678	33%	0.33	S	S	*	.	S	Bend	trans	-136.5	163.2	-172.9	-67.7	171.7	-152.7	0	0	106.6	L103	E101-L103 PolarHBondContact O-N 2.91Å
102	K	89.1	Confident	91.9	Very high	169 Å²	169	66.9 Å²	66.9	74%	0.735	33%	0.326	S	S	*	.			trans	-59.8	140	172.4	-76.3	-165.9	165.5	-140.8	0	109.7	N46	N46-K102 PolarHBondContact OD1-NZ 2.9Å
103	L	92.2	Very high	92.3	Very high	15 Å²	15	64 Å²	64	8%	0.079	31%	0.308	C	S	.	.			trans	-91.8	155	172.9	-59.2	173.7	0	0	0	109.1	V43 P82 F83 A99 E101 V141	V43-L103 HydrophobicContact CB-CD1 4.28Å; V43-L103 HydrophobicContact CG1-CD1 3.35Å; V43-L103 HydrophobicContact CG2-CD1 3.92Å; P82-L103 HydrophobicContact CB-CD2 4.25Å; P82-L103 HydrophobicContact CG-CD2 4.06Å; F83-L103 HydrophobicContact CE1-CD1 3.83Å; F83-L103 HydrophobicContact CE1-CD2 4.41Å; F83-L103 HydrophobicContact CZ-CD1 3.79Å; F83-L103 HydrophobicContact CZ-CD2 3.97Å; A99-L103 HydrophobicContact CB-CD1 4.05Å; A99-L103 HydrophobicContact CB-CD2 4.41Å; A99-L103 HydrophobicContact CB-CG 4.07Å; E101-L103 PolarHBondContact O-N 2.91Å; L103-V141 HydrophobicContact CB-CG1 4.31Å; L103-V141 HydrophobicContact CD1-CG2 4.38Å
104	D	91.5	Very high	92.6	Very high	68 Å²	68	65.8 Å²	65.8	36%	0.364	32%	0.318	S	S	.	.			trans	-144.6	113.5	-173.4	171.6	-30.6	0	0	0	105.5	E106 L107 Q108	D104-E106 PolarHBondContact OD1-N 2.78Å; D104-L107 HydrophobicContact CB-CB 4.09Å; D104-L107 VanDerWaalsContact CG-CB 3.49Å; D104-L107 WeakPolarHBondContact OD1-CB 3.2Å; D104-L107 PolarHBondContact OD1-N 2.84Å; D104-Q108 PolarHBondContact O-N 3.49Å
105	C	91.8	Very high	92.8	Very high	4 Å²	4	61.5 Å²	61.5	3%	0.027	30%	0.298	C	S	.	.	H	α-helix	trans	-81.7	-32.2	-171.9	-169.6	0	0	0	0	111.8	E45 L107 Q108 K109 V141 C179	E45-C105 HydrophobicContact CG-CB 4.16Å; E45-C105 WeakPolarHBondContact OE1-CA 3.36Å; E45-C105 WeakPolarHBondContact OE1-CB 3.46Å; E45-C105 PolarHBondContact OE1-N 2.97Å; C105-L107 PolarHBondContact O-N 2.88Å; C105-Q108 PolarHBondContact O-N 2.82Å; C105-K109 PolarHBondContact O-N 2.84Å; C105-K109 VanDerWaalsContact O-N 3.15Å; C105-V141 HydrophobicContact CB-CB 4.36Å; C105-V141 HydrophobicContact CB-CG1 3.9Å; C105-C179 HydrophobicContact CB-CB 3.62Å; C105-C179 WeakPolarHBondContact CB-SG 3.07Å; C105-C179 WeakPolarHBondContact O-CB 3.23Å; C105-C179 WeakPolarHBondContact SG-CB 3.46Å; C105-C179 CovalentContact SG-SG 2.02Å; C105-C179 PolarHBondContact SG-SG 3.27Å
106	E	92.2	Very high	92.8	Very high	63 Å²	63	62.2 Å²	62.2	29%	0.294	30%	0.299	S	S	.	.	H	α-helix	trans	-60.1	-37.3	172.5	-69.3	63.3	-115	0	0	110.3	D104 Y147 A177 D178 C179	D104-E106 PolarHBondContact OD1-N 2.78Å; E106-Y147 HydrophobicContact CG-CD2 4.34Å; E106-Y147 HydrophobicContact CG-CE2 3.72Å; E106-A177 WeakPolarHBondContact CG-O 2.88Å; E106-D178 WeakPolarHBondContact OE1-CA 3.3Å; E106-C179 VanDerWaalsContact OE1-CB 3.27Å; E106-C179 WeakPolarHBondContact OE1-CB 3.24Å; E106-C179 PolarHBondContact OE1-N 3Å
107	L	90.7	Very high	92.8	Very high	145 Å²	145	61.7 Å²	61.7	76%	0.759	30%	0.296	S	S	*	.	H	α-helix	trans	-78.4	-51	174.2	-174	66.2	0	0	0	112.5	D104 C105	D104-L107 HydrophobicContact CB-CB 4.09Å; D104-L107 VanDerWaalsContact CG-CB 3.49Å; D104-L107 WeakPolarHBondContact OD1-CB 3.2Å; D104-L107 PolarHBondContact OD1-N 2.84Å; C105-L107 PolarHBondContact O-N 2.88Å
108	Q	90.8	Very high	92.7	Very high	98 Å²	98	62.3 Å²	62.3	46%	0.458	30%	0.299	S	S	.	.	H	α-helix	trans	-153.3	90.6	-179.6	-170	171.7	-5.1	0	0	114.8	D104 C105 E110 H111	D104-Q108 PolarHBondContact O-N 3.49Å; C105-Q108 PolarHBondContact O-N 2.82Å; Q108-E110 WeakPolarHBondContact CG-O 3.48Å; Q108-E110 PolarHBondContact NE2-O 2.88Å; Q108-E110 PolarHBondContact O-N 3.04Å; Q108-H111 PolarHBondContact NE2-ND1 3.28Å; Q108-H111 VanDerWaalsContact NE2-ND1 3.17Å; Q108-H111 PolarHBondContact OE1-CE1 2.78Å; Q108-H111 PolarHBondContact OE1-ND1 3.32Å
109	K	91.3	Very high	92.5	Very high	92 Å²	92	58 Å²	58	40%	0.4	28%	0.283	S	S	.	.	S	Bend	trans	-57.1	-30.6	173.2	-174.1	165.8	-167.4	158.6	0	117.5	C105 V141 C179	C105-K109 PolarHBondContact O-N 2.84Å; C105-K109 VanDerWaalsContact O-N 3.15Å; K109-V141 PolarHBondContact O-N 3.29Å; K109-C179 PolarHBondContact NZ-O 2.78Å
110	E	93	Very high	92.1	Very high	108 Å²	108	57.7 Å²	57.7	51%	0.505	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.7	-176.2	-64	-163	153.3	0	0	112.9	Q108 I139 Q140	Q108-E110 WeakPolarHBondContact CG-O 3.48Å; Q108-E110 PolarHBondContact NE2-O 2.88Å; Q108-E110 PolarHBondContact O-N 3.04Å; E110-I139 WeakPolarHBondContact CA-O 3.03Å; E110-Q140 HydrophobicContact CG-CG 4.28Å; E110-Q140 PolarHBondContact OE1-NE2 2.83Å
111	H	93.1	Very high	91.8	Very high	16 Å²	16	52.2 Å²	52.2	7%	0.074	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.7	175	-58.5	-76.1	0	0	0	110.9	F83 Q108 I139	F83-H111 HydrophobicContact CE2-CB 3.74Å; F83-H111 AromaticContact CE2-CD2 3.47Å; F83-H111 VanDerWaalsContact CE2-CD2 3.47Å; F83-H111 WeakPolarHBondContact CE2-CD2 3.5Å; F83-H111 AromaticContact CE2-CG 3.64Å; F83-H111 AromaticContact CZ-CD2 3.65Å; Q108-H111 PolarHBondContact NE2-ND1 3.28Å; Q108-H111 VanDerWaalsContact NE2-ND1 3.17Å; Q108-H111 PolarHBondContact OE1-CE1 2.78Å; Q108-H111 PolarHBondContact OE1-ND1 3.32Å; H111-I139 HydrophobicContact CB-CB 4.49Å; H111-I139 PolarHBondContact N-O 2.84Å; H111-I139 PolarHBondContact O-N 2.9Å
112	T	94.1	Very high	91.2	Very high	85 Å²	85	48.8 Å²	48.8	52%	0.521	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.1	174.9	-65	0	0	0	0	110.4	T136 V137 H138	T112-T136 HydrophobicContact CG2-CG2 3.82Å; T112-V137 WeakPolarHBondContact CA-O 3.27Å; T112-H138 WeakPolarHBondContact CG2-ND1 3.48Å; T112-H138 PolarHBondContact OG1-ND1 3.18Å
113	F	95.1	Very high	90.5	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.035	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	177.9	177.5	56.7	-94.9	0	0	0	111.4	I76 V81 F83 I97 V137 I139	I76-F113 HydrophobicContact CB-CD2 4.4Å; I76-F113 HydrophobicContact CD1-CD2 4.3Å; I76-F113 HydrophobicContact CD1-CE2 3.63Å; I76-F113 HydrophobicContact CD1-CZ 4.05Å; I76-F113 HydrophobicContact CG1-CD2 4.08Å; I76-F113 HydrophobicContact CG1-CE2 3.75Å; I76-F113 HydrophobicContact CG2-CB 4.38Å; I76-F113 HydrophobicContact CG2-CD2 3.59Å; I76-F113 HydrophobicContact CG2-CE2 4.05Å; I76-F113 HydrophobicContact CG2-CG 4.1Å; V81-F113 HydrophobicContact CG1-CB 4.06Å; V81-F113 HydrophobicContact CG1-CD1 3.43Å; V81-F113 VanDerWaalsContact CG1-CD1 3.43Å; V81-F113 HydrophobicContact CG1-CD2 4.38Å; V81-F113 HydrophobicContact CG1-CE1 3.86Å; V81-F113 HydrophobicContact CG1-CG 3.71Å; V81-F113 HydrophobicContact CG1-CZ 4.47Å; V81-F113 HydrophobicContact CG2-CB 3.79Å; V81-F113 HydrophobicContact CG2-CG 4.37Å; F83-F113 HydrophobicContact CB-CE1 4.13Å; F83-F113 HydrophobicContact CB-CZ 4.03Å; F83-F113 HydrophobicContact CD2-CD1 4.24Å; F83-F113 AromaticContact CD2-CE1 3.5Å; F83-F113 HydrophobicContact CD2-CE1 3.5Å; F83-F113 HydrophobicContact CD2-CZ 4.22Å; F83-F113 HydrophobicContact CE2-CE1 4.18Å; F83-F113 AromaticContact CG-CE1 3.96Å; F83-F113 HydrophobicContact CG-CE1 3.96Å; F83-F113 HydrophobicContact CG-CZ 4.21Å; I97-F113 HydrophobicContact CD1-CE2 4.17Å; I97-F113 HydrophobicContact CD1-CZ 4.08Å; I97-F113 HydrophobicContact CG2-CZ 4.24Å; F113-V137 HydrophobicContact CD2-CB 4.02Å; F113-V137 HydrophobicContact CD2-CG2 4.15Å; F113-V137 HydrophobicContact CE1-CB 4.41Å; F113-V137 HydrophobicContact CE1-CG1 4.42Å; F113-V137 HydrophobicContact CE2-CB 3.67Å; F113-V137 HydrophobicContact CE2-CG1 4.1Å; F113-V137 HydrophobicContact CE2-CG2 3.73Å; F113-V137 HydrophobicContact CZ-CB 3.9Å; F113-V137 HydrophobicContact CZ-CG1 3.87Å; F113-V137 HydrophobicContact CZ-CG2 4.35Å; F113-V137 PolarHBondContact N-O 2.85Å; F113-V137 VanDerWaalsContact N-O 3.07Å; F113-V137 PolarHBondContact O-N 2.02Å; F113-I139 HydrophobicContact CE1-CD1 3.61Å; F113-I139 HydrophobicContact CE1-CG1 4.12Å; F113-I139 HydrophobicContact CZ-CD1 3.73Å; F113-I139 HydrophobicContact CZ-CG1 4.43Å
114	T	95.6	Very high	89.5	Confident	38 Å²	38	45.5 Å²	45.5	23%	0.233	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.9	175.8	58.6	0	0	0	0	112.2	I76 H77 A135	I76-T114 CarbonylContact C-O 3.57Å; I76-T114 WeakPolarHBondContact CA-O 3.08Å; H77-T114 WeakPolarHBondContact CB-OG1 3.34Å; H77-T114 PolarHBondContact N-O 2.79Å; H77-T114 PolarHBondContact O-N 2.95Å; H77-T114 VanDerWaalsContact O-N 3.13Å; H77-T114 PolarHBondContact O-OG1 3.4Å; H77-T114 VanDerWaalsContact O-OG1 3.05Å; T114-A135 CarbonylContact C-O 3.44Å; T114-A135 WeakPolarHBondContact CA-O 3.43Å; T114-A135 WeakPolarHBondContact CB-O 3.35Å
115	I	95.7	Very high	88.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	153.1	179.7	-164.6	166.7	0	0	0	110.6	I35 Y39 L56 F74 I76 A85 I97 K134 A135 V137	I35-I115 HydrophobicContact CD1-CG2 4.44Å; Y39-I115 HydrophobicContact CD2-CG2 4.35Å; Y39-I115 HydrophobicContact CE2-CG2 4.41Å; L56-I115 HydrophobicContact CD1-CD1 4.25Å; L56-I115 HydrophobicContact CD2-CD1 3.82Å; F74-I115 HydrophobicContact CB-CD1 4.13Å; F74-I115 HydrophobicContact CB-CG1 4.32Å; F74-I115 HydrophobicContact CD1-CD1 4.39Å; I76-I115 HydrophobicContact CG1-CD1 4.21Å; I76-I115 HydrophobicContact CG1-CG1 4.19Å; A85-I115 HydrophobicContact CB-CD1 3.74Å; I97-I115 HydrophobicContact CD1-CD1 3.93Å; I97-I115 HydrophobicContact CG1-CD1 4.26Å; I115-K134 WeakPolarHBondContact O-CA 3.48Å; I115-A135 HydrophobicContact CG2-CB 3.89Å; I115-A135 PolarHBondContact N-O 2.71Å; I115-A135 PolarHBondContact O-N 3.41Å; I115-V137 HydrophobicContact CB-CG2 3.97Å; I115-V137 HydrophobicContact CG2-CG2 3.52Å
116	Q	94.8	Very high	88	Confident	22 Å²	22	51 Å²	51	10%	0.103	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	130	-179.4	-172.6	177	40.1	0	0	110.2	R75 H77 Y118 K131 S132	R75-Q116 PolarHBondContact N-O 2.72Å; R75-Q116 PolarHBondContact O-N 2.99Å; H77-Q116 PolarHBondContact NE2-OE1 3.14Å; H77-Q116 VanDerWaalsContact NE2-OE1 3.07Å; Q116-Y118 HydrophobicContact CB-CE2 4.07Å; Q116-Y118 HydrophobicContact CG-CE2 3.93Å; Q116-Y118 WeakPolarHBondContact O-CD2 3.38Å; Q116-Y118 WeakPolarHBondContact O-CE2 3.32Å; Q116-Y118 PolarHBondContact OE1-OH 2.83Å; Q116-K131 HydrophobicContact CG-CB 4.25Å; Q116-S132 WeakPolarHBondContact CG-OG 3.29Å; Q116-S132 PolarHBondContact NE2-O 3.04Å
117	A	94.4	Very high	87.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	151.5	175.9	0	0	0	0	0	112	P33 I35 A58 F74 K131 S132	P33-A117 HydrophobicContact CB-CB 4.3Å; P33-A117 HydrophobicContact CG-CB 4.37Å; I35-A117 HydrophobicContact CG2-CB 3.72Å; A58-A117 HydrophobicContact CB-CB 3.62Å; F74-A117 HydrophobicContact CD1-CB 3.89Å; F74-A117 HydrophobicContact CE1-CB 3.78Å; A117-K131 WeakPolarHBondContact O-CA 3.38Å; A117-S132 PolarHBondContact N-OG 2.92Å; A117-S132 PolarHBondContact O-N 3Å
118	Y	92.6	Very high	86.8	Confident	15 Å²	15	49 Å²	49	6%	0.059	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.5	-177.2	-71.1	-112.7	0	0	0	108.9	C72 G73 R75 Q116 M129 K131	C72-Y118 PolarHBondContact N-O 2.9Å; G73-Y118 PolarHBondContact N-O 2.84Å; G73-Y118 WeakPolarHBondContact O-CB 3.27Å; G73-Y118 PolarHBondContact O-N 2.92Å; R75-Y118 HydrophobicContact CB-CD2 4.14Å; R75-Y118 HydrophobicContact CB-CE2 3.56Å; Q116-Y118 HydrophobicContact CB-CE2 4.07Å; Q116-Y118 HydrophobicContact CG-CE2 3.93Å; Q116-Y118 WeakPolarHBondContact O-CD2 3.38Å; Q116-Y118 WeakPolarHBondContact O-CE2 3.32Å; Q116-Y118 PolarHBondContact OE1-OH 2.83Å; Y118-M129 HydrophobicContact CD1-CE 3.78Å; Y118-M129 HydrophobicContact CD1-CG 4.25Å; Y118-M129 HydrophobicContact CD1-SD 3.73Å; Y118-M129 HydrophobicContact CE1-CE 4.32Å; Y118-M129 HydrophobicContact CG-SD 4.33Å; Y118-K131 HydrophobicContact CD1-CD 4.4Å; Y118-K131 HydrophobicContact CD1-CG 3.95Å; Y118-K131 HydrophobicContact CE1-CD 3.59Å; Y118-K131 VanDerWaalsContact CE1-CE 3.4Å; Y118-K131 HydrophobicContact CE1-CG 3.63Å; Y118-K131 WeakPolarHBondContact OH-CD 3.25Å; Y118-K131 PolarHBondContact OH-NZ 3Å
119	D	90.4	Very high	86.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	175.8	171.6	64.3	53.4	0	0	0	111.4	N29 P33 E70 G121 M129 K130	N29-D119 PolarHBondContact ND2-OD1 3.32Å; N29-D119 PolarHBondContact ND2-OD2 2.87Å; P33-D119 HydrophobicContact CG-CB 4.49Å; E70-D119 CarbonylContact O-C 3.38Å; E70-D119 VanDerWaalsContact O-CA 3.23Å; E70-D119 WeakPolarHBondContact O-CA 3.43Å; D119-G121 WeakPolarHBondContact OD1-CA 2.99Å; D119-G121 PolarHBondContact OD1-N 3.42Å; D119-M129 WeakPolarHBondContact O-CG 3.4Å; D119-M129 VanDerWaalsContact OD1-CA 3.23Å; D119-M129 WeakPolarHBondContact OD1-CA 3.27Å; D119-K130 PolarHBondContact N-O 2.74Å; D119-K130 PolarHBondContact OD1-N 2.94Å; D119-K130 VanDerWaalsContact OD2-CA 3.27Å; D119-K130 WeakPolarHBondContact OD2-CA 3.36Å; D119-K130 WeakPolarHBondContact OD2-CB 3.43Å; D119-K130 PolarHBondContact OD2-N 3.07Å
120	C	85.8	Confident	86.5	Confident	6 Å²	6	47 Å²	47	4%	0.041	27%	0.268	C	S	.	.			trans	-89.3	6.4	176.3	-62.5	0	0	0	0	114.3	Y67 E70 C72	Y67-C120 HydrophobicContact CD1-CB 4.26Å; Y67-C120 VanDerWaalsContact O-CB 3.32Å; Y67-C120 WeakPolarHBondContact O-CB 3.3Å; Y67-C120 PolarHBondContact O-N 2.81Å; E70-C120 HydrophobicContact CB-CB 4.29Å; E70-C120 PolarHBondContact O-N 2.89Å; E70-C120 PolarHBondContact O-SG 3.01Å; C72-C120 VanDerWaalsContact CA-SG 3.53Å; C72-C120 HydrophobicContact CB-CB 3.83Å; C72-C120 WeakPolarHBondContact CB-SG 3.49Å; C72-C120 PolarHBondContact N-SG 3.14Å; C72-C120 VanDerWaalsContact SG-CA 3.57Å; C72-C120 WeakPolarHBondContact SG-CB 3.23Å; C72-C120 CovalentContact SG-SG 2.02Å; C72-C120 PolarHBondContact SG-SG 2.69Å
121	G	84.6	Confident	86.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	-162.1	-179.3	0	0	0	0	0	114.8	Y67 A68 D119 A127	Y67-G121 CarbonylContact C-O 3.51Å; Y67-G121 VanDerWaalsContact C-O 3.27Å; Y67-G121 VanDerWaalsContact CB-O 3.25Å; Y67-G121 WeakPolarHBondContact CB-O 3.27Å; A68-G121 VanDerWaalsContact CA-O 3.26Å; A68-G121 WeakPolarHBondContact CA-O 3.43Å; A68-G121 PolarHBondContact N-O 3.2Å; A68-G121 VanDerWaalsContact N-O 3.09Å; D119-G121 WeakPolarHBondContact OD1-CA 2.99Å; D119-G121 PolarHBondContact OD1-N 3.42Å; G121-A127 CarbonylContact C-O 3.55Å; G121-A127 VanDerWaalsContact CA-O 3.29Å; G121-A127 WeakPolarHBondContact CA-O 3.49Å
122	E	77.3	Confident	86.5	Confident	73 Å²	73	46.2 Å²	46.2	34%	0.341	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	2.8	-173.8	-149.5	172.2	153.5	0	0	113.4	K27 V28 A127 N128	K27-E122 WeakPolarHBondContact O-CG 3.37Å; V28-E122 WeakPolarHBondContact CA-OE1 3.45Å; E122-A127 PolarHBondContact N-O 2.72Å; E122-N128 HydrophobicContact CB-CB 4.35Å; E122-N128 PolarHBondContact OE2-ND2 2.86Å
123	G	74.1	Confident	86.4	Confident	14 Å²	14	44.9 Å²	44.9	14%	0.144	25%	0.251	C	S	.	.	S	Bend	trans	178	178.5	-178.2	0	0	0	0	0	112.8	D125 G126	G123-D125 PolarHBondContact O-N 2.89Å; G123-D125 VanDerWaalsContact O-N 3.08Å; G123-G126 PolarHBondContact O-N 2.85Å
124	P	70.8	Confident	86.4	Confident	100 Å²	100	49.9 Å²	49.9	65%	0.649	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-22.3	-173.6	24.9	-34.9	0	0	0	114.6	Y67 G126	Y67-P124 HydrophobicContact CE1-CB 4.06Å; P124-G126 VanDerWaalsContact C-N 3.27Å; P124-G126 PolarHBondContact O-N 3.4Å
125	D	76.1	Confident	86.4	Confident	156 Å²	156	48.1 Å²	48.1	83%	0.834	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	0.6	178.8	-52	-41.5	0	0	0	113.4	G123 A127	G123-D125 PolarHBondContact O-N 2.89Å; G123-D125 VanDerWaalsContact O-N 3.08Å; D125-A127 VanDerWaalsContact C-N 3.28Å; D125-A127 PolarHBondContact O-N 2.66Å
126	G	75.3	Confident	86.4	Confident	31 Å²	31	50.3 Å²	50.3	32%	0.32	28%	0.275	S	S	.	.			trans	71.7	14.4	177.8	0	0	0	0	0	115.3	G123 P124 M129	G123-G126 PolarHBondContact O-N 2.85Å; P124-G126 VanDerWaalsContact C-N 3.27Å; P124-G126 PolarHBondContact O-N 3.4Å; G126-M129 WeakPolarHBondContact O-CB 3.41Å; G126-M129 PolarHBondContact O-N 2.9Å
127	A	75.6	Confident	86.4	Confident	59 Å²	59	49.3 Å²	49.3	49%	0.488	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	144.4	177.3	0	0	0	0	0	111.7	G121 E122 D125 M129	G121-A127 CarbonylContact C-O 3.55Å; G121-A127 VanDerWaalsContact CA-O 3.29Å; G121-A127 WeakPolarHBondContact CA-O 3.49Å; E122-A127 PolarHBondContact N-O 2.72Å; D125-A127 VanDerWaalsContact C-N 3.28Å; D125-A127 PolarHBondContact O-N 2.66Å; A127-M129 PolarHBondContact O-N 3.33Å
128	N	82.6	Confident	86.5	Confident	108 Å²	108	52.6 Å²	52.6	58%	0.578	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	19.8	-178	-69.7	-24.4	0	0	0	116.6	N29 E122 K130	N29-N128 PolarHBondContact ND2-O 3.44Å; E122-N128 HydrophobicContact CB-CB 4.35Å; E122-N128 PolarHBondContact OE2-ND2 2.86Å; N128-K130 PolarHBondContact O-N 2.88Å
129	M	86.2	Confident	86.6	Confident	88 Å²	88	51.9 Å²	51.9	43%	0.433	28%	0.283	S	S	.	.			trans	-54	126.1	175	175.5	177	63.4	0	0	113	Y118 D119 G126 A127	Y118-M129 HydrophobicContact CD1-CE 3.78Å; Y118-M129 HydrophobicContact CD1-CG 4.25Å; Y118-M129 HydrophobicContact CD1-SD 3.73Å; Y118-M129 HydrophobicContact CE1-CE 4.32Å; Y118-M129 HydrophobicContact CG-SD 4.33Å; D119-M129 WeakPolarHBondContact O-CG 3.4Å; D119-M129 VanDerWaalsContact OD1-CA 3.23Å; D119-M129 WeakPolarHBondContact OD1-CA 3.27Å; G126-M129 WeakPolarHBondContact O-CB 3.41Å; G126-M129 PolarHBondContact O-N 2.9Å; A127-M129 PolarHBondContact O-N 3.33Å
130	K	89.1	Confident	86.8	Confident	60 Å²	60	56.6 Å²	56.6	26%	0.261	31%	0.305	S	S	.	.			trans	-101	171.5	174.7	-48.5	-160.5	-148.3	-49.2	0	111.8	N29 K30 H31 K32 D119 N128	N29-K130 WeakPolarHBondContact O-CE 3.43Å; N29-K130 PolarHBondContact O-NZ 3.41Å; N29-K130 WeakPolarHBondContact OD1-CE 3.47Å; N29-K130 PolarHBondContact OD1-NZ 2.87Å; K30-K130 VanDerWaalsContact C-CE 3.48Å; K30-K130 WeakPolarHBondContact O-CE 3.39Å; H31-K130 WeakPolarHBondContact O-CD 3.14Å; H31-K130 WeakPolarHBondContact O-CE 3.45Å; K32-K130 HydrophobicContact CB-CB 3.97Å; K32-K130 HydrophobicContact CB-CD 4.22Å; D119-K130 PolarHBondContact N-O 2.74Å; D119-K130 PolarHBondContact OD1-N 2.94Å; D119-K130 VanDerWaalsContact OD2-CA 3.27Å; D119-K130 WeakPolarHBondContact OD2-CA 3.36Å; D119-K130 WeakPolarHBondContact OD2-CB 3.43Å; D119-K130 PolarHBondContact OD2-N 3.07Å; N128-K130 PolarHBondContact O-N 2.88Å
131	K	92.3	Very high	87.2	Confident	102 Å²	102	56.5 Å²	56.5	44%	0.443	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-131.3	142.8	-172.7	-45.2	-175.1	178.9	-151.3	0	110.2	Q116 A117 Y118	Q116-K131 HydrophobicContact CG-CB 4.25Å; A117-K131 WeakPolarHBondContact O-CA 3.38Å; Y118-K131 HydrophobicContact CD1-CD 4.4Å; Y118-K131 HydrophobicContact CD1-CG 3.95Å; Y118-K131 HydrophobicContact CE1-CD 3.59Å; Y118-K131 VanDerWaalsContact CE1-CE 3.4Å; Y118-K131 HydrophobicContact CE1-CG 3.63Å; Y118-K131 WeakPolarHBondContact OH-CD 3.25Å; Y118-K131 PolarHBondContact OH-NZ 3Å
132	S	93.5	Very high	87.6	Confident	5 Å²	5	59.7 Å²	59.7	4%	0.035	32%	0.321	C	S	.	.			trans	-66.3	175.9	170.6	72.5	0	0	0	0	112	P33 I35 Q116 A117	P33-S132 WeakPolarHBondContact O-CA 3.18Å; P33-S132 WeakPolarHBondContact O-CB 3.47Å; I35-S132 WeakPolarHBondContact CD1-OG 3.43Å; Q116-S132 WeakPolarHBondContact CG-OG 3.29Å; Q116-S132 PolarHBondContact NE2-O 3.04Å; A117-S132 PolarHBondContact N-OG 2.92Å; A117-S132 PolarHBondContact O-N 3Å
133	H	93.3	Very high	88.3	Confident	57 Å²	57	57.1 Å²	57.1	26%	0.264	31%	0.31	S	S	.	.			trans	-66.8	163.6	158.1	65.4	-85.2	0	0	0	110	W34 I35 T37	W34-H133 AromaticContact CD1-CE1 3.88Å; W34-H133 AromaticContact NE1-CE1 3.81Å; I35-H133 PolarHBondContact O-CE1 3.09Å; I35-H133 PolarHBondContact O-NE2 2.8Å; T37-H133 WeakPolarHBondContact CG2-NE2 3.36Å
134	K	94.4	Very high	89.1	Confident	114 Å²	114	58.9 Å²	58.9	50%	0.496	32%	0.315	S	S	.	.			trans	-79.4	133.1	172.5	-71.5	-171.4	171.1	-163.8	0	109.5	I115	I115-K134 WeakPolarHBondContact O-CA 3.48Å
135	A	95.1	Very high	90.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	148.4	169.6	0	0	0	0	0	110	I35 E36 T37 Y39 T114 I115	I35-A135 HydrophobicContact CD1-CB 3.62Å; I35-A135 HydrophobicContact CG1-CB 4.22Å; E36-A135 WeakPolarHBondContact O-CB 3.47Å; T37-A135 VanDerWaalsContact O-CA 3.27Å; T37-A135 WeakPolarHBondContact O-CA 3.07Å; Y39-A135 HydrophobicContact CD2-CB 4.09Å; Y39-A135 HydrophobicContact CE2-CB 3.92Å; T114-A135 CarbonylContact C-O 3.44Å; T114-A135 WeakPolarHBondContact CA-O 3.43Å; T114-A135 WeakPolarHBondContact CB-O 3.35Å; I115-A135 HydrophobicContact CG2-CB 3.89Å; I115-A135 PolarHBondContact N-O 2.71Å; I115-A135 PolarHBondContact O-N 3.41Å
136	T	95.5	Very high	90.8	Very high	47 Å²	47	53.4 Å²	53.4	29%	0.288	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	136.7	172	-54.8	0	0	0	0	109.6	T37 T38 Y39 T112 H138	T37-T136 PolarHBondContact O-N 3.07Å; T38-T136 CarbonylContact C-O 3.5Å; T38-T136 VanDerWaalsContact CA-O 3.27Å; T38-T136 WeakPolarHBondContact CA-O 3.44Å; Y39-T136 PolarHBondContact N-O 3.24Å; T112-T136 HydrophobicContact CG2-CG2 3.82Å; T136-H138 WeakPolarHBondContact CG2-NE2 3.46Å
137	V	96.1	Very high	91.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125	173.3	-170.5	0	0	0	0	107.6	Y39 L52 I97 T112 F113 I115 I139	Y39-V137 HydrophobicContact CD2-CG2 4.34Å; Y39-V137 WeakPolarHBondContact O-CA 3.38Å; L52-V137 HydrophobicContact CD2-CG1 4.21Å; I97-V137 HydrophobicContact CD1-CG1 3.98Å; I97-V137 HydrophobicContact CD1-CG2 4.21Å; T112-V137 WeakPolarHBondContact CA-O 3.27Å; F113-V137 HydrophobicContact CD2-CB 4.02Å; F113-V137 HydrophobicContact CD2-CG2 4.15Å; F113-V137 HydrophobicContact CE1-CB 4.41Å; F113-V137 HydrophobicContact CE1-CG1 4.42Å; F113-V137 HydrophobicContact CE2-CB 3.67Å; F113-V137 HydrophobicContact CE2-CG1 4.1Å; F113-V137 HydrophobicContact CE2-CG2 3.73Å; F113-V137 HydrophobicContact CZ-CB 3.9Å; F113-V137 HydrophobicContact CZ-CG1 3.87Å; F113-V137 HydrophobicContact CZ-CG2 4.35Å; F113-V137 PolarHBondContact N-O 2.85Å; F113-V137 VanDerWaalsContact N-O 3.07Å; F113-V137 PolarHBondContact O-N 2.02Å; I115-V137 HydrophobicContact CB-CG2 3.97Å; I115-V137 HydrophobicContact CG2-CG2 3.52Å; V137-I139 HydrophobicContact CG1-CD1 4.23Å; V137-I139 HydrophobicContact CG1-CG1 3.82Å
138	H	96.3	Very high	92.5	Very high	69 Å²	69	55.9 Å²	55.9	32%	0.319	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.1	169.7	-61.4	-70.7	0	0	0	107.9	Y39 H40 G41 T112 T136	Y39-H138 PolarHBondContact O-N 3.03Å; H40-H138 CarbonylContact C-O 3.53Å; H40-H138 WeakPolarHBondContact CA-O 3.27Å; H40-H138 AromaticContact NE2-CD2 3.88Å; G41-H138 PolarHBondContact N-O 3.45Å; T112-H138 WeakPolarHBondContact CG2-ND1 3.48Å; T112-H138 PolarHBondContact OG1-ND1 3.18Å; T136-H138 WeakPolarHBondContact CG2-NE2 3.46Å
139	I	94.9	Very high	93.2	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125	176.7	-56.8	-173.6	0	0	0	108.4	G41 V43 V50 F83 I97 E110 H111 F113 V137	G41-I139 WeakPolarHBondContact O-CA 3.4Å; V43-I139 HydrophobicContact CB-CG2 4.44Å; V43-I139 HydrophobicContact CG1-CG2 3.57Å; V50-I139 HydrophobicContact CB-CD1 4.46Å; V50-I139 HydrophobicContact CG1-CD1 3.83Å; V50-I139 HydrophobicContact CG1-CG1 4.22Å; V50-I139 HydrophobicContact CG1-CG2 4.27Å; V50-I139 HydrophobicContact CG2-CD1 3.88Å; F83-I139 HydrophobicContact CD1-CD1 3.8Å; F83-I139 HydrophobicContact CD2-CD1 4.06Å; F83-I139 HydrophobicContact CE1-CD1 3.69Å; F83-I139 HydrophobicContact CE1-CG2 4.3Å; F83-I139 HydrophobicContact CE2-CD1 3.97Å; F83-I139 HydrophobicContact CG-CD1 3.99Å; F83-I139 HydrophobicContact CZ-CB 4.35Å; F83-I139 HydrophobicContact CZ-CD1 3.8Å; F83-I139 HydrophobicContact CZ-CG2 3.97Å; I97-I139 HydrophobicContact CG2-CD1 4.2Å; E110-I139 WeakPolarHBondContact CA-O 3.03Å; H111-I139 HydrophobicContact CB-CB 4.49Å; H111-I139 PolarHBondContact N-O 2.84Å; H111-I139 PolarHBondContact O-N 2.9Å; F113-I139 HydrophobicContact CE1-CD1 3.61Å; F113-I139 HydrophobicContact CE1-CG1 4.12Å; F113-I139 HydrophobicContact CZ-CD1 3.73Å; F113-I139 HydrophobicContact CZ-CG1 4.43Å; V137-I139 HydrophobicContact CG1-CD1 4.23Å; V137-I139 HydrophobicContact CG1-CG1 3.82Å
140	Q	94.3	Very high	93.8	Very high	99 Å²	99	50.2 Å²	50.2	46%	0.463	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.5	168	-63	-172.3	-48.3	0	0	109.1	G41 I42 V43 E110	G41-Q140 PolarHBondContact O-N 3.07Å; I42-Q140 WeakPolarHBondContact CA-O 3.25Å; V43-Q140 PolarHBondContact N-O 3.3Å; E110-Q140 HydrophobicContact CG-CG 4.28Å; E110-Q140 PolarHBondContact OE1-NE2 2.83Å
141	V	94.1	Very high	94.2	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	122.9	172.8	-174.6	0	0	0	0	107.7	V43 E45 L103 C105 K109	V43-V141 HydrophobicContact CG1-CG2 4.38Å; V43-V141 CarbonylContact O-C 3.47Å; V43-V141 WeakPolarHBondContact O-CA 3.2Å; E45-V141 HydrophobicContact CG-CG1 3.38Å; L103-V141 HydrophobicContact CB-CG1 4.31Å; L103-V141 HydrophobicContact CD1-CG2 4.38Å; C105-V141 HydrophobicContact CB-CB 4.36Å; C105-V141 HydrophobicContact CB-CG1 3.9Å; K109-V141 PolarHBondContact O-N 3.29Å
142	N	92.2	Very high	94.4	Very high	68 Å²	68	49.3 Å²	49.3	36%	0.364	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.7	172.2	-80.4	-12.1	0	0	0	109	V43 T44 E45	V43-N142 PolarHBondContact O-N 2.83Å; T44-N142 WeakPolarHBondContact CA-O 3.46Å; T44-N142 HydrophobicContact CG2-CB 4.28Å; T44-N142 WeakPolarHBondContact CG2-O 3.37Å; E45-N142 PolarHBondContact N-O 2.77Å
143	D	92.3	Very high	94.5	Very high	19 Å²	19	54.5 Å²	54.5	10%	0.102	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-57.2	150	176.1	-164.6	12	0	0	0	113.8	E45 D178 C179 S180 F183	E45-D143 WeakPolarHBondContact OE2-CA 3.06Å; D143-D178 WeakPolarHBondContact OD2-CB 2.99Å; D143-C179 VanDerWaalsContact CB-SG 3.53Å; D143-C179 VanDerWaalsContact CG-SG 3.53Å; D143-S180 VanDerWaalsContact OD2-CA 3.3Å; D143-S180 WeakPolarHBondContact OD2-CA 3.18Å; D143-S180 WeakPolarHBondContact OD2-CB 3.47Å; D143-S180 PolarHBondContact OD2-N 3.38Å; D143-S180 PolarHBondContact OD2-OG 3.06Å; D143-F183 HydrophobicContact CB-CD2 4.18Å; D143-F183 HydrophobicContact CB-CE2 4.32Å; D143-F183 VanDerWaalsContact OD2-CD2 3.29Å; D143-F183 WeakPolarHBondContact OD2-CD2 3.49Å
144	I	91.3	Very high	94.6	Very high	50 Å²	50	60.6 Å²	60.6	26%	0.256	29%	0.291	S	S	.	.			trans	-123.8	135.6	166.6	-62.7	173.3	0	0	0	107.1	T44 E45 N46 E146	T44-I144 HydrophobicContact CG2-CD1 3.75Å; T44-I144 HydrophobicContact CG2-CG1 3.61Å; E45-I144 HydrophobicContact CB-CD1 4.32Å; E45-I144 PolarHBondContact OE2-N 2.93Å; N46-I144 HydrophobicContact CB-CD1 3.79Å; N46-I144 VanDerWaalsContact ND2-CD1 3.27Å; N46-I144 WeakPolarHBondContact ND2-CD1 3.46Å; I144-E146 VanDerWaalsContact C-N 3.3Å; I144-E146 HydrophobicContact CB-CG 4.03Å; I144-E146 HydrophobicContact CG2-CG 3.72Å; I144-E146 PolarHBondContact O-N 3.17Å
145	N	91.6	Very high	94.7	Very high	31 Å²	31	57.8 Å²	57.8	17%	0.166	28%	0.283	C	S	.	.			trans	-68.7	85.5	176.5	-168.5	-1.9	0	0	0	111.4	Y147 F183 D228 G230 N232	N145-Y147 PolarHBondContact OD1-O 3.5Å; N145-F183 HydrophobicContact CB-CB 4.14Å; N145-F183 HydrophobicContact CB-CD1 3.83Å; N145-F183 HydrophobicContact CB-CD2 3.74Å; N145-F183 HydrophobicContact CB-CE1 4.16Å; N145-F183 HydrophobicContact CB-CE2 4.09Å; N145-F183 HydrophobicContact CB-CG 3.63Å; N145-F183 HydrophobicContact CB-CZ 4.3Å; N145-D228 PolarHBondContact ND2-OD2 3.49Å; N145-G230 WeakPolarHBondContact ND2-CA 3.43Å; N145-N232 PolarHBondContact ND2-ND2 3.49Å; N145-N232 PolarHBondContact O-ND2 3.34Å; N145-N232 PolarHBondContact OD1-ND2 2.8Å
146	E	90.1	Very high	94.8	Very high	110 Å²	110	59.2 Å²	59.2	51%	0.514	29%	0.288	S	S	.	.			trans	-105.4	-22.8	-177.6	-63	-161.9	179.1	0	0	111.9	N46 I144 D178	N46-E146 PolarHBondContact ND2-OE1 3.13Å; I144-E146 VanDerWaalsContact C-N 3.3Å; I144-E146 HydrophobicContact CB-CG 4.03Å; I144-E146 HydrophobicContact CG2-CG 3.72Å; I144-E146 PolarHBondContact O-N 3.17Å; E146-D178 PolarHBondContact N-OD1 2.77Å; E146-D178 VanDerWaalsContact N-OD1 3.09Å
147	Y	93.1	Very high	94.9	Very high	103 Å²	103	64.9 Å²	64.9	40%	0.404	31%	0.309	S	S	.	.			trans	-89.3	-178.8	173.8	-63.9	-84.3	0	0	0	111.4	E106 N145 D176 A177 D178 N232	E106-Y147 HydrophobicContact CG-CD2 4.34Å; E106-Y147 HydrophobicContact CG-CE2 3.72Å; N145-Y147 PolarHBondContact OD1-O 3.5Å; Y147-D176 WeakPolarHBondContact CB-OD1 3.42Å; Y147-A177 HydrophobicContact CD1-CB 3.85Å; Y147-A177 HydrophobicContact CD2-CB 4.25Å; Y147-A177 HydrophobicContact CE1-CB 4.42Å; Y147-A177 HydrophobicContact CG-CB 3.76Å; Y147-D178 WeakPolarHBondContact CB-OD1 3.49Å; Y147-D178 WeakPolarHBondContact CD2-OD1 3.48Å; Y147-D178 PolarHBondContact N-OD1 3.37Å; Y147-N232 PolarHBondContact O-ND2 3.16Å
148	S	95.6	Very high	94.9	Very high	40 Å²	40	65.8 Å²	65.8	28%	0.28	32%	0.316	S	S	.	.			trans	-158.3	146.9	-175.2	-71.3	0	0	0	0	109	V150 D176	S148-V150 PolarHBondContact O-N 3.05Å; S148-D176 VanDerWaalsContact CA-OD2 3.24Å; S148-D176 WeakPolarHBondContact CA-OD2 3.28Å; S148-D176 PolarHBondContact N-OD1 2.63Å; S148-D176 VanDerWaalsContact N-OD1 3.09Å
149	P	97.3	Very high	94.9	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.325	C	S	.	.			trans	-59.3	141.3	-168.7	-29.3	36.1	0	0	0	113.4	A174 D176 I186 A226 D228 A234 S235	P149-A174 HydrophobicContact CB-CB 4.1Å; P149-D176 WeakPolarHBondContact CD-OD2 3.17Å; P149-D176 WeakPolarHBondContact CG-OD2 3.35Å; P149-I186 HydrophobicContact CB-CD1 3.68Å; P149-I186 HydrophobicContact CG-CD1 3.68Å; P149-A226 HydrophobicContact CB-CB 4.13Å; P149-D228 HydrophobicContact CG-CB 4.02Å; P149-A234 HydrophobicContact CB-CB 4.09Å; P149-A234 CarbonylContact O-C 3.5Å; P149-A234 VanDerWaalsContact O-CA 3.23Å; P149-A234 WeakPolarHBondContact O-CA 3.48Å; P149-S235 PolarHBondContact O-N 3.33Å; P149-S235 PolarHBondContact O-OG 3.27Å; P149-S235 VanDerWaalsContact O-OG 3.06Å
150	V	97.1	Very high	94.9	Very high	77 Å²	77	66.5 Å²	66.5	47%	0.467	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.5	175	-173.1	0	0	0	0	108.7	S148 A174 V175	S148-V150 PolarHBondContact O-N 3.05Å; V150-A174 CarbonylContact O-C 3.55Å; V150-A174 VanDerWaalsContact O-CA 3.27Å; V150-A174 WeakPolarHBondContact O-CA 3.5Å; V150-V175 PolarHBondContact N-O 2.86Å; V150-V175 PolarHBondContact O-N 3.35Å
151	F	97.9	Very high	94.8	Very high	22 Å²	22	64.7 Å²	64.7	10%	0.096	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	139	173.8	-74.6	-82	0	0	0	111.4	E153 Y156 V172 A174 Y189 V224 A226 A234 V238	F151-E153 VanDerWaalsContact C-N 3.29Å; F151-E153 PolarHBondContact O-N 2.84Å; F151-Y156 HydrophobicContact CD1-CE2 4.38Å; F151-V172 HydrophobicContact CD1-CB 4.41Å; F151-V172 HydrophobicContact CE1-CB 4.11Å; F151-V172 HydrophobicContact CE1-CG2 4.03Å; F151-A174 HydrophobicContact CD1-CB 4.06Å; F151-A174 HydrophobicContact CE1-CB 4.22Å; F151-A174 HydrophobicContact CG-CB 4.38Å; F151-Y189 AromaticContact CE1-CD1 3.98Å; F151-Y189 HydrophobicContact CE1-CD1 3.98Å; F151-Y189 AromaticContact CE1-CE1 3.83Å; F151-Y189 HydrophobicContact CE1-CE1 3.83Å; F151-Y189 HydrophobicContact CZ-CD1 4.25Å; F151-Y189 HydrophobicContact CZ-CE1 4.42Å; F151-V224 WeakPolarHBondContact CE2-O 3.39Å; F151-V224 HydrophobicContact CZ-CG1 4.32Å; F151-A226 HydrophobicContact CE1-CB 4.32Å; F151-A226 HydrophobicContact CE2-CB 4.26Å; F151-A226 HydrophobicContact CZ-CB 3.78Å; F151-A234 HydrophobicContact CD2-CB 4.48Å; F151-A234 HydrophobicContact CE2-CB 3.97Å; F151-V238 HydrophobicContact CB-CB 4.08Å; F151-V238 HydrophobicContact CB-CG2 4.41Å; F151-V238 HydrophobicContact CD1-CB 4.1Å; F151-V238 HydrophobicContact CD1-CG1 3.61Å; F151-V238 HydrophobicContact CD2-CB 3.71Å; F151-V238 HydrophobicContact CD2-CG1 3.86Å; F151-V238 HydrophobicContact CE1-CB 4.46Å; F151-V238 HydrophobicContact CE1-CG1 3.6Å; F151-V238 HydrophobicContact CE2-CB 4.11Å; F151-V238 HydrophobicContact CE2-CG1 3.85Å; F151-V238 HydrophobicContact CG-CB 3.69Å; F151-V238 HydrophobicContact CG-CG1 3.73Å; F151-V238 HydrophobicContact CG-CG2 4.47Å; F151-V238 HydrophobicContact CZ-CB 4.46Å; F151-V238 HydrophobicContact CZ-CG1 3.72Å
152	K	96.9	Very high	94.7	Very high	120 Å²	120	66.2 Å²	66.2	52%	0.522	33%	0.326	S	S	.	.	S	Bend	trans	-63.2	-35.1	179.1	-68	-175	-176.9	174.5	0	112.9	E173 V175	K152-E173 HydrophobicContact CD-CB 3.95Å; K152-E173 WeakPolarHBondContact CE-OE2 3.38Å; K152-E173 HydrophobicContact CG-CB 4.35Å; K152-E173 PolarHBondContact N-O 2.95Å; K152-E173 IonicContact NZ-OE2 2.79Å; K152-E173 PolarHBondContact NZ-OE2 2.55Å; K152-V175 HydrophobicContact CG-CG1 4.3Å
153	E	96.4	Very high	94.6	Very high	114 Å²	114	64.6 Å²	64.6	53%	0.533	33%	0.325	S	S	.	.	S	Bend	trans	-117.2	142.5	179.5	-63.9	-64.6	164.8	0	0	110.8	F151 T155 Y156 V238	F151-E153 VanDerWaalsContact C-N 3.29Å; F151-E153 PolarHBondContact O-N 2.84Å; E153-T155 VanDerWaalsContact C-N 3.3Å; E153-T155 PolarHBondContact O-N 3.31Å; E153-Y156 HydrophobicContact CB-CD1 4.46Å; E153-Y156 HydrophobicContact CB-CD2 4.37Å; E153-Y156 HydrophobicContact CB-CE1 3.97Å; E153-Y156 HydrophobicContact CB-CE2 3.89Å; E153-Y156 HydrophobicContact CG-CE1 3.94Å; E153-V238 WeakPolarHBondContact O-CG2 3.26Å
154	K	93.6	Very high	94.4	Very high	186 Å²	186	68.8 Å²	68.8	81%	0.809	34%	0.342	S	S	*	.	S	Bend	trans	-74.8	-17.6	175.9	-64.9	-171.2	175.7	-168.1	0	113.7
155	T	96.8	Very high	94.5	Very high	54 Å²	54	72.4 Å²	72.4	33%	0.331	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	126.9	176.5	-65.3	0	0	0	0	110.5	E153 K157 L239 K241	E153-T155 VanDerWaalsContact C-N 3.3Å; E153-T155 PolarHBondContact O-N 3.31Å; T155-K157 HydrophobicContact CG2-CG 4.31Å; T155-L239 CarbonylContact C-O 3.58Å; T155-L239 WeakPolarHBondContact CA-O 3.26Å; T155-L239 WeakPolarHBondContact CG2-O 3.4Å; T155-K241 HydrophobicContact CG2-CG 4.49Å
156	Y	97.8	Very high	94.6	Very high	30 Å²	30	73.8 Å²	73.8	12%	0.118	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	147.2	171.8	-65	-92.5	0	0	0	110.8	F151 E153 L170 V172 E173 V238 L239 V240 K241	F151-Y156 HydrophobicContact CD1-CE2 4.38Å; E153-Y156 HydrophobicContact CB-CD1 4.46Å; E153-Y156 HydrophobicContact CB-CD2 4.37Å; E153-Y156 HydrophobicContact CB-CE1 3.97Å; E153-Y156 HydrophobicContact CB-CE2 3.89Å; E153-Y156 HydrophobicContact CG-CE1 3.94Å; Y156-L170 HydrophobicContact CD1-CD1 4.42Å; Y156-L170 HydrophobicContact CG-CD1 4.32Å; Y156-V172 HydrophobicContact CD1-CG1 4.44Å; Y156-V172 HydrophobicContact CD2-CB 4.23Å; Y156-V172 HydrophobicContact CD2-CG1 3.65Å; Y156-V172 HydrophobicContact CE2-CB 3.91Å; Y156-V172 HydrophobicContact CE2-CG1 3.87Å; Y156-V172 HydrophobicContact CG-CG1 3.96Å; Y156-E173 PolarHBondContact OH-N 2.93Å; Y156-E173 VanDerWaalsContact OH-N 3.13Å; Y156-E173 PolarHBondContact OH-O 3.19Å; Y156-V238 HydrophobicContact CD2-CG1 4.17Å; Y156-V238 HydrophobicContact CD2-CG2 3.66Å; Y156-V238 HydrophobicContact CE2-CG1 4.18Å; Y156-V238 HydrophobicContact CE2-CG2 3.81Å; Y156-L239 PolarHBondContact N-O 2.96Å; Y156-V240 WeakPolarHBondContact O-CA 3.27Å; Y156-K241 PolarHBondContact O-N 3Å
157	K	97.7	Very high	94.7	Very high	166 Å²	166	74.7 Å²	74.7	72%	0.722	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	138.6	178.6	-60.2	-179.5	-173.8	170.2	0	110.8	T155 K241	T155-K157 HydrophobicContact CG2-CG 4.31Å; K157-K241 CarbonylContact C-O 3.54Å; K157-K241 VanDerWaalsContact CA-O 3.31Å; K157-K241 WeakPolarHBondContact CA-O 3.16Å; K157-K241 HydrophobicContact CG-CB 4.42Å
158	A	96.8	Very high	94.7	Very high	19 Å²	19	74 Å²	74	16%	0.157	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	168.5	169.9	0	0	0	0	0	111.5	I169 L170 K241 S243	A158-I169 HydrophobicContact CB-CG2 3.73Å; A158-L170 HydrophobicContact CB-CB 4.28Å; A158-L170 HydrophobicContact CB-CD2 3.56Å; A158-K241 PolarHBondContact N-O 2.95Å; A158-S243 PolarHBondContact O-N 3.49Å
159	T	95.8	Very high	94.8	Very high	82 Å²	82	73.2 Å²	73.2	50%	0.503	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	133.3	173.9	-59.9	0	0	0	0	109.7	S243 K245	T159-S243 CarbonylContact C-O 3.45Å; T159-S243 VanDerWaalsContact CA-O 3.27Å; T159-S243 WeakPolarHBondContact CA-O 3.44Å; T159-K245 HydrophobicContact CG2-CD 3.83Å; T159-K245 HydrophobicContact CG2-CG 3.74Å
160	V	94.9	Very high	94.8	Very high	4 Å²	4	74.2 Å²	74.2	2%	0.024	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.8	-177	-66.8	0	0	0	0	110.6	Y166 I169 L212 I242 S243 I244 K245	V160-Y166 HydrophobicContact CB-CD2 4.15Å; V160-Y166 HydrophobicContact CB-CE2 3.68Å; V160-Y166 HydrophobicContact CG1-CD2 4.06Å; V160-Y166 HydrophobicContact CG1-CE2 4Å; V160-Y166 HydrophobicContact CG1-CG 4.42Å; V160-I169 HydrophobicContact CG1-CB 4.39Å; V160-I169 HydrophobicContact CG1-CD1 4.21Å; V160-I169 HydrophobicContact CG1-CG1 4.02Å; V160-I169 HydrophobicContact CG1-CG2 3.64Å; V160-L212 HydrophobicContact CG2-CD1 3.74Å; V160-I242 HydrophobicContact CG1-CG2 4.3Å; V160-I242 HydrophobicContact CG2-CG2 3.73Å; V160-S243 PolarHBondContact N-O 2.94Å; V160-I244 HydrophobicContact CG2-CG1 3.92Å; V160-I244 CarbonylContact O-C 3.53Å; V160-I244 WeakPolarHBondContact O-CA 3.32Å; V160-K245 PolarHBondContact O-N 3.47Å
161	I	91.5	Very high	94.8	Very high	60 Å²	60	74.3 Å²	74.3	31%	0.308	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	136.6	174.1	-55.4	168.9	0	0	0	107.8	K164 Y166	I161-K164 HydrophobicContact CB-CD 4.38Å; I161-Y166 PolarHBondContact N-OH 2.8Å
162	E	92.6	Very high	94.7	Very high	35 Å²	35	73.2 Å²	73.2	16%	0.164	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	167.2	176	76.6	177.5	156.1	0	0	113.2	K164 L212 Y214 I244 K245 P246 T247	E162-K164 PolarHBondContact O-N 2.75Å; E162-L212 WeakPolarHBondContact CB-O 3.45Å; E162-Y214 WeakPolarHBondContact OE2-CB 3.08Å; E162-Y214 PolarHBondContact OE2-N 2.92Å; E162-I244 HydrophobicContact CB-CG2 3.86Å; E162-K245 PolarHBondContact N-O 3.15Å; E162-P246 VanDerWaalsContact OE1-CA 3.32Å; E162-P246 WeakPolarHBondContact OE1-CA 3.27Å; E162-T247 VanDerWaalsContact CG-OG1 3.3Å; E162-T247 WeakPolarHBondContact CG-OG1 3.46Å; E162-T247 PolarHBondContact O-OG1 3.42Å; E162-T247 PolarHBondContact OE1-N 2.94Å
163	G	88.8	Confident	94.8	Very high	34 Å²	34	70.3 Å²	70.3	35%	0.351	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	-9.3	175.7	0	0	0	0	0	115.3	K211 L212	G163-K211 WeakPolarHBondContact O-CD 3.22Å; G163-K211 WeakPolarHBondContact O-CE 3.45Å; G163-K211 WeakPolarHBondContact O-CG 3.22Å; G163-L212 PolarHBondContact N-O 2.78Å
164	K	89.7	Confident	94.8	Very high	107 Å²	107	65.3 Å²	65.3	47%	0.465	33%	0.325	S	S	.	.			trans	-101	152.8	178.1	-64.2	-177.3	-175.5	178.2	0	111.7	I161 E162 Y166 N208	I161-K164 HydrophobicContact CB-CD 4.38Å; E162-K164 PolarHBondContact O-N 2.75Å; K164-Y166 HydrophobicContact CB-CD2 4.23Å; K164-Y166 HydrophobicContact CB-CE2 3.66Å; K164-N208 PolarHBondContact O-ND2 3.09Å
165	K	92.9	Very high	94.9	Very high	126 Å²	126	59.9 Å²	59.9	55%	0.548	31%	0.307	S	S	.	.			trans	-111.4	123.1	169	-174.3	166.2	174.6	164.2	0	107.8	N208 T209	K165-N208 VanDerWaalsContact CE-O 3.23Å; K165-N208 WeakPolarHBondContact CE-O 3.08Å; K165-T209 WeakPolarHBondContact CE-O 3.49Å; K165-T209 PolarHBondContact NZ-O 3.16Å
166	Y	93.6	Very high	94.9	Very high	60 Å²	60	58.4 Å²	58.4	24%	0.235	30%	0.297	C	S	.	.			trans	-108.2	121.9	-176.9	-69.2	-95.5	0	0	0	108.4	V160 I161 K164 N168 I169 K207 N208	V160-Y166 HydrophobicContact CB-CD2 4.15Å; V160-Y166 HydrophobicContact CB-CE2 3.68Å; V160-Y166 HydrophobicContact CG1-CD2 4.06Å; V160-Y166 HydrophobicContact CG1-CE2 4Å; V160-Y166 HydrophobicContact CG1-CG 4.42Å; I161-Y166 PolarHBondContact N-OH 2.8Å; K164-Y166 HydrophobicContact CB-CD2 4.23Å; K164-Y166 HydrophobicContact CB-CE2 3.66Å; Y166-N168 PolarHBondContact O-N 2.7Å; Y166-I169 HydrophobicContact CG-CG1 4.24Å; Y166-K207 WeakPolarHBondContact O-CA 3.4Å; Y166-K207 VanDerWaalsContact O-CB 3.23Å; Y166-K207 WeakPolarHBondContact O-CB 3.49Å; Y166-N208 PolarHBondContact N-OD1 3.27Å; Y166-N208 PolarHBondContact O-OD1 2.67Å
167	D	92.3	Very high	94.7	Very high	129 Å²	129	59.9 Å²	59.9	69%	0.69	32%	0.315	S	S	*	.	S	Bend	trans	-76.1	-14.9	173.8	-63.8	-51.8	0	0	0	112.7
168	N	93.8	Very high	94.5	Very high	89 Å²	89	52.2 Å²	52.2	48%	0.476	28%	0.283	S	S	.	.			trans	-147.1	114.5	172.8	177	2.1	0	0	0	108.8	Y166 L170 F205	Y166-N168 PolarHBondContact O-N 2.7Å; N168-L170 PolarHBondContact OD1-N 3.29Å; N168-F205 WeakPolarHBondContact OD1-CD1 3.42Å
169	I	96.4	Very high	94.2	Very high	24 Å²	24	52.7 Å²	52.7	12%	0.123	28%	0.284	C	S	.	.	S	Bend	trans	-97.6	-47.6	173.7	-62.4	175.7	0	0	0	110.1	A158 V160 Y166 F198 I206 N208 I242	A158-I169 HydrophobicContact CB-CG2 3.73Å; V160-I169 HydrophobicContact CG1-CB 4.39Å; V160-I169 HydrophobicContact CG1-CD1 4.21Å; V160-I169 HydrophobicContact CG1-CG1 4.02Å; V160-I169 HydrophobicContact CG1-CG2 3.64Å; Y166-I169 HydrophobicContact CG-CG1 4.24Å; I169-F198 HydrophobicContact CD1-CD1 3.94Å; I169-F198 HydrophobicContact CD1-CE1 3.63Å; I169-I206 WeakPolarHBondContact CB-O 3.45Å; I169-I206 PolarHBondContact N-O 2.87Å; I169-N208 HydrophobicContact CD1-CB 4.18Å; I169-I242 HydrophobicContact CD1-CD1 4.43Å; I169-I242 HydrophobicContact CG2-CD1 4.19Å; I169-I242 HydrophobicContact CG2-CG1 4.4Å; I169-I242 HydrophobicContact CG2-CG2 4.25Å
170	L	96.9	Very high	93.8	Very high	21 Å²	21	49.7 Å²	49.7	11%	0.11	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	165.9	174.4	67.6	95.6	0	0	0	109.8	Y156 A158 N168 V172 I206 V240 I242	Y156-L170 HydrophobicContact CD1-CD1 4.42Å; Y156-L170 HydrophobicContact CG-CD1 4.32Å; A158-L170 HydrophobicContact CB-CB 4.28Å; A158-L170 HydrophobicContact CB-CD2 3.56Å; N168-L170 PolarHBondContact OD1-N 3.29Å; L170-V172 HydrophobicContact CD1-CG1 3.74Å; L170-I206 HydrophobicContact CD1-CD1 3.96Å; L170-I206 HydrophobicContact CG-CD1 4.39Å; L170-I206 PolarHBondContact O-N 2.87Å; L170-V240 HydrophobicContact CD1-CG1 4.15Å; L170-V240 HydrophobicContact CD2-CG1 3.58Å; L170-V240 HydrophobicContact CG-CG1 4.4Å; L170-I242 HydrophobicContact CD2-CG1 4.35Å
171	K	97.2	Very high	93.5	Very high	78 Å²	78	57 Å²	57	34%	0.339	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.9	172.5	-164	-166.3	179.3	-164.4	0	110.2	E173 D203 G204 F205	K171-E173 HydrophobicContact CD-CG 4.07Å; K171-E173 WeakPolarHBondContact CD-OE1 2.99Å; K171-E173 WeakPolarHBondContact CE-OE1 3.34Å; K171-E173 HydrophobicContact CG-CG 4.41Å; K171-E173 IonicContact NZ-OE1 3.89Å; K171-E173 PolarHBondContact NZ-OE1 3.35Å; K171-D203 WeakPolarHBondContact CE-O 3.33Å; K171-G204 WeakPolarHBondContact CA-O 3.34Å; K171-F205 HydrophobicContact CB-CD1 3.71Å; K171-F205 HydrophobicContact CB-CE1 3.72Å; K171-F205 HydrophobicContact CB-CG 4.48Å; K171-F205 HydrophobicContact CB-CZ 4.48Å; K171-F205 HydrophobicContact CD-CD1 4.4Å; K171-F205 HydrophobicContact CD-CE1 3.84Å; K171-F205 HydrophobicContact CD-CE2 4.25Å; K171-F205 HydrophobicContact CD-CZ 3.75Å; K171-F205 HydrophobicContact CG-CD1 3.84Å; K171-F205 HydrophobicContact CG-CD2 4.47Å; K171-F205 HydrophobicContact CG-CE1 3.78Å; K171-F205 HydrophobicContact CG-CE2 4.41Å; K171-F205 HydrophobicContact CG-CG 4.21Å; K171-F205 HydrophobicContact CG-CZ 4.08Å
172	V	97.6	Very high	93.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.312	C	S	.	.			trans	-93.1	150.5	164.7	-58.2	0	0	0	0	109.6	F151 Y156 L170 Y189 I200 G204 I206 V224 V238 V240	F151-V172 HydrophobicContact CD1-CB 4.41Å; F151-V172 HydrophobicContact CE1-CB 4.11Å; F151-V172 HydrophobicContact CE1-CG2 4.03Å; Y156-V172 HydrophobicContact CD1-CG1 4.44Å; Y156-V172 HydrophobicContact CD2-CB 4.23Å; Y156-V172 HydrophobicContact CD2-CG1 3.65Å; Y156-V172 HydrophobicContact CE2-CB 3.91Å; Y156-V172 HydrophobicContact CE2-CG1 3.87Å; Y156-V172 HydrophobicContact CG-CG1 3.96Å; L170-V172 HydrophobicContact CD1-CG1 3.74Å; V172-Y189 HydrophobicContact CG2-CD1 3.8Å; V172-Y189 HydrophobicContact CG2-CE1 3.99Å; V172-Y189 HydrophobicContact CG2-CG 4.36Å; V172-I200 HydrophobicContact CG2-CD1 3.59Å; V172-G204 PolarHBondContact N-O 2.88Å; V172-I206 HydrophobicContact CG1-CD1 4.12Å; V172-V224 HydrophobicContact CG2-CG1 4.13Å; V172-V238 HydrophobicContact CG1-CG1 4.5Å; V172-V240 HydrophobicContact CG1-CG2 3.96Å
173	E	97.1	Very high	93.2	Very high	58 Å²	58	60.4 Å²	60.4	27%	0.271	31%	0.312	S	S	.	.			trans	-138.3	125.4	178.6	-64.1	-166.6	160.2	0	0	110.8	K152 Y156 K171	K152-E173 HydrophobicContact CD-CB 3.95Å; K152-E173 WeakPolarHBondContact CE-OE2 3.38Å; K152-E173 HydrophobicContact CG-CB 4.35Å; K152-E173 PolarHBondContact N-O 2.95Å; K152-E173 IonicContact NZ-OE2 2.79Å; K152-E173 PolarHBondContact NZ-OE2 2.55Å; Y156-E173 PolarHBondContact OH-N 2.93Å; Y156-E173 VanDerWaalsContact OH-N 3.13Å; Y156-E173 PolarHBondContact OH-O 3.19Å; K171-E173 HydrophobicContact CD-CG 4.07Å; K171-E173 WeakPolarHBondContact CD-OE1 2.99Å; K171-E173 WeakPolarHBondContact CE-OE1 3.34Å; K171-E173 HydrophobicContact CG-CG 4.41Å; K171-E173 IonicContact NZ-OE1 3.89Å; K171-E173 PolarHBondContact NZ-OE1 3.35Å
174	A	96.8	Very high	93.4	Very high	10 Å²	10	60.7 Å²	60.7	8%	0.083	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	159.1	167.6	0	0	0	0	0	111.1	P149 V150 F151 I186 Y189 A226	P149-A174 HydrophobicContact CB-CB 4.1Å; V150-A174 CarbonylContact O-C 3.55Å; V150-A174 VanDerWaalsContact O-CA 3.27Å; V150-A174 WeakPolarHBondContact O-CA 3.5Å; F151-A174 HydrophobicContact CD1-CB 4.06Å; F151-A174 HydrophobicContact CE1-CB 4.22Å; F151-A174 HydrophobicContact CG-CB 4.38Å; A174-I186 HydrophobicContact CB-CD1 4.14Å; A174-I186 HydrophobicContact CB-CG1 4.18Å; A174-Y189 HydrophobicContact CB-CE1 4.02Å; A174-Y189 PolarHBondContact N-OH 2.85Å; A174-A226 HydrophobicContact CB-CB 3.78Å
175	V	95.8	Very high	93.6	Very high	72 Å²	72	59.5 Å²	59.5	44%	0.436	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148	173	-65.3	0	0	0	0	108.6	V150 K152	V150-V175 PolarHBondContact N-O 2.86Å; V150-V175 PolarHBondContact O-N 3.35Å; K152-V175 HydrophobicContact CG-CG1 4.3Å
176	D	96.3	Very high	93.7	Very high	23 Å²	23	54.9 Å²	54.9	12%	0.123	29%	0.286	C	S	.	.			trans	-122.6	158.8	172.3	-146.1	-30	0	0	0	110	Y147 S148 P149 I186	Y147-D176 WeakPolarHBondContact CB-OD1 3.42Å; S148-D176 VanDerWaalsContact CA-OD2 3.24Å; S148-D176 WeakPolarHBondContact CA-OD2 3.28Å; S148-D176 PolarHBondContact N-OD1 2.63Å; S148-D176 VanDerWaalsContact N-OD1 3.09Å; P149-D176 WeakPolarHBondContact CD-OD2 3.17Å; P149-D176 WeakPolarHBondContact CG-OD2 3.35Å; D176-I186 HydrophobicContact CB-CD1 4.25Å
177	A	94.3	Very high	93.7	Very high	60 Å²	60	55.1 Å²	55.1	50%	0.496	30%	0.296	S	S	.	.			trans	-106.8	-12.7	-165	0	0	0	0	0	114.9	E106 Y147	E106-A177 WeakPolarHBondContact CG-O 2.88Å; Y147-A177 HydrophobicContact CD1-CB 3.85Å; Y147-A177 HydrophobicContact CD2-CB 4.25Å; Y147-A177 HydrophobicContact CE1-CB 4.42Å; Y147-A177 HydrophobicContact CG-CB 3.76Å
178	D	93.9	Very high	93.9	Very high	6 Å²	6	51.2 Å²	51.2	3%	0.032	28%	0.278	C	S	.	.			trans	-57.6	150.1	-179.8	-44.8	-79.4	0	0	0	112.8	E106 D143 E146 Y147 S180 F183 S184	E106-D178 WeakPolarHBondContact OE1-CA 3.3Å; D143-D178 WeakPolarHBondContact OD2-CB 2.99Å; E146-D178 PolarHBondContact N-OD1 2.77Å; E146-D178 VanDerWaalsContact N-OD1 3.09Å; Y147-D178 WeakPolarHBondContact CB-OD1 3.49Å; Y147-D178 WeakPolarHBondContact CD2-OD1 3.48Å; Y147-D178 PolarHBondContact N-OD1 3.37Å; D178-S180 PolarHBondContact O-N 3.37Å; D178-F183 HydrophobicContact CB-CB 3.69Å; D178-F183 WeakPolarHBondContact OD2-CB 3.27Å; D178-S184 WeakPolarHBondContact O-CB 3.48Å
179	C	89.7	Confident	94.1	Very high	29 Å²	29	48.2 Å²	48.2	20%	0.196	26%	0.261	C	S	.	.	S	Bend	trans	-75.3	-18.3	-172.3	83.8	0	0	0	0	114.7	C105 E106 K109 D143	C105-C179 HydrophobicContact CB-CB 3.62Å; C105-C179 WeakPolarHBondContact CB-SG 3.07Å; C105-C179 WeakPolarHBondContact O-CB 3.23Å; C105-C179 WeakPolarHBondContact SG-CB 3.46Å; C105-C179 CovalentContact SG-SG 2.02Å; C105-C179 PolarHBondContact SG-SG 3.27Å; E106-C179 VanDerWaalsContact OE1-CB 3.27Å; E106-C179 WeakPolarHBondContact OE1-CB 3.24Å; E106-C179 PolarHBondContact OE1-N 3Å; K109-C179 PolarHBondContact NZ-O 2.78Å; D143-C179 VanDerWaalsContact CB-SG 3.53Å; D143-C179 VanDerWaalsContact CG-SG 3.53Å
180	S	88.8	Confident	94.1	Very high	18 Å²	18	51.8 Å²	51.8	13%	0.126	28%	0.277	C	S	.	.	S	Bend	trans	-93.1	148.1	-177.7	78.4	0	0	0	0	111.7	D143 D178 Q182 F183 S184	D143-S180 VanDerWaalsContact OD2-CA 3.3Å; D143-S180 WeakPolarHBondContact OD2-CA 3.18Å; D143-S180 WeakPolarHBondContact OD2-CB 3.47Å; D143-S180 PolarHBondContact OD2-N 3.38Å; D143-S180 PolarHBondContact OD2-OG 3.06Å; D178-S180 PolarHBondContact O-N 3.37Å; S180-Q182 PolarHBondContact O-N 3.09Å; S180-Q182 VanDerWaalsContact O-N 3.15Å; S180-Q182 PolarHBondContact OG-N 3.45Å; S180-F183 PolarHBondContact O-N 2.72Å; S180-F183 PolarHBondContact OG-N 3.15Å; S180-S184 VanDerWaalsContact O-CB 3.28Å; S180-S184 WeakPolarHBondContact O-CB 3.41Å; S180-S184 PolarHBondContact O-N 3.41Å; S180-S184 PolarHBondContact O-OG 2.96Å
181	F	87.4	Confident	94.2	Very high	158 Å²	158	52 Å²	52	69%	0.693	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18	170.3	-173.5	-97.6	0	0	0	112.9	Q185	F181-Q185 VanDerWaalsContact CE1-OE1 3.23Å; F181-Q185 VanDerWaalsContact CZ-OE1 3.23Å; F181-Q185 WeakPolarHBondContact O-CB 3.41Å
182	Q	86.6	Confident	94.2	Very high	129 Å²	129	51.3 Å²	51.3	60%	0.603	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-32.1	-179	-176.3	172.9	-13.2	0	0	112.6	S180 C229	S180-Q182 PolarHBondContact O-N 3.09Å; S180-Q182 VanDerWaalsContact O-N 3.15Å; S180-Q182 PolarHBondContact OG-N 3.45Å; Q182-C229 VanDerWaalsContact O-CB 3.27Å; Q182-C229 WeakPolarHBondContact O-CB 3.49Å
183	F	91.4	Very high	94.1	Very high	38 Å²	38	53 Å²	53	17%	0.167	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-40.5	179.7	-54	-38.1	0	0	0	111.4	D143 N145 D178 S180 Q185 D228	D143-F183 HydrophobicContact CB-CD2 4.18Å; D143-F183 HydrophobicContact CB-CE2 4.32Å; D143-F183 VanDerWaalsContact OD2-CD2 3.29Å; D143-F183 WeakPolarHBondContact OD2-CD2 3.49Å; N145-F183 HydrophobicContact CB-CB 4.14Å; N145-F183 HydrophobicContact CB-CD1 3.83Å; N145-F183 HydrophobicContact CB-CD2 3.74Å; N145-F183 HydrophobicContact CB-CE1 4.16Å; N145-F183 HydrophobicContact CB-CE2 4.09Å; N145-F183 HydrophobicContact CB-CG 3.63Å; N145-F183 HydrophobicContact CB-CZ 4.3Å; D178-F183 HydrophobicContact CB-CB 3.69Å; D178-F183 WeakPolarHBondContact OD2-CB 3.27Å; S180-F183 PolarHBondContact O-N 2.72Å; S180-F183 PolarHBondContact OG-N 3.15Å; F183-Q185 PolarHBondContact O-N 3.45Å; F183-D228 WeakPolarHBondContact O-CB 3.36Å
184	S	92.7	Very high	93.9	Very high	39 Å²	39	54.8 Å²	54.8	27%	0.273	31%	0.307	S	S	.	.	S	Bend	trans	-58.4	-18.5	174.8	60.2	0	0	0	0	116.7	D178 S180	D178-S184 WeakPolarHBondContact O-CB 3.48Å; S180-S184 VanDerWaalsContact O-CB 3.28Å; S180-S184 WeakPolarHBondContact O-CB 3.41Å; S180-S184 PolarHBondContact O-N 3.41Å; S180-S184 PolarHBondContact O-OG 2.96Å
185	Q	94.1	Very high	93.6	Very high	83 Å²	83	62.5 Å²	62.5	39%	0.388	35%	0.347	S	S	.	.	S	Bend	trans	-86.3	124.4	-175.4	-175.9	177.1	-0.4	0	0	112	F181 F183 C187 D228 C229	F181-Q185 VanDerWaalsContact CE1-OE1 3.23Å; F181-Q185 VanDerWaalsContact CZ-OE1 3.23Å; F181-Q185 WeakPolarHBondContact O-CB 3.41Å; F183-Q185 PolarHBondContact O-N 3.45Å; Q185-C187 PolarHBondContact O-N 2.91Å; Q185-D228 CarbonylContact O-C 3.27Å; Q185-D228 WeakPolarHBondContact O-CA 3.5Å; Q185-C229 PolarHBondContact O-N 2.95Å; Q185-C229 PolarHBondContact O-SG 3.29Å
186	I	95.7	Very high	93.6	Very high	28 Å²	28	60.6 Å²	60.6	14%	0.144	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	120.5	167.7	-48	-53.1	0	0	0	110.1	P149 A174 D176 Y189 A226 Y227	P149-I186 HydrophobicContact CB-CD1 3.68Å; P149-I186 HydrophobicContact CG-CD1 3.68Å; A174-I186 HydrophobicContact CB-CD1 4.14Å; A174-I186 HydrophobicContact CB-CG1 4.18Å; D176-I186 HydrophobicContact CB-CD1 4.25Å; I186-Y189 HydrophobicContact CG2-CD2 4.44Å; I186-Y189 HydrophobicContact CG2-CE1 4.17Å; I186-Y189 HydrophobicContact CG2-CE2 3.83Å; I186-A226 HydrophobicContact CG2-CB 4.21Å; I186-Y227 WeakPolarHBondContact CG2-O 3.38Å
187	C	94.1	Very high	93.6	Very high	65 Å²	65	60.1 Å²	60.1	44%	0.439	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-28.6	-177.4	-108.4	0	0	0	0	113.3	Q185 Y227 C229	Q185-C187 PolarHBondContact O-N 2.91Å; C187-Y227 PolarHBondContact N-O 2.69Å; C187-C229 HydrophobicContact CB-CB 3.92Å; C187-C229 WeakPolarHBondContact CB-SG 3.39Å; C187-C229 WeakPolarHBondContact SG-CA 3.4Å; C187-C229 WeakPolarHBondContact SG-CB 3.31Å; C187-C229 CovalentContact SG-SG 2.04Å; C187-C229 PolarHBondContact SG-SG 2.82Å
188	S	95.7	Very high	93.7	Very high	47 Å²	47	57.8 Å²	57.8	33%	0.329	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	157.6	179.4	61.4	0	0	0	0	113.4	A226 Y227	S188-A226 WeakPolarHBondContact O-CA 3.4Å; S188-Y227 PolarHBondContact N-O 3.11Å; S188-Y227 PolarHBondContact O-N 2.97Å
189	Y	97.8	Very high	93.9	Very high	27 Å²	27	60.2 Å²	60.2	11%	0.106	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	151.4	168	-62	-91.9	0	0	0	109.2	F151 V172 A174 I186 I200 K202 T225 A226	F151-Y189 AromaticContact CE1-CD1 3.98Å; F151-Y189 HydrophobicContact CE1-CD1 3.98Å; F151-Y189 AromaticContact CE1-CE1 3.83Å; F151-Y189 HydrophobicContact CE1-CE1 3.83Å; F151-Y189 HydrophobicContact CZ-CD1 4.25Å; F151-Y189 HydrophobicContact CZ-CE1 4.42Å; V172-Y189 HydrophobicContact CG2-CD1 3.8Å; V172-Y189 HydrophobicContact CG2-CE1 3.99Å; V172-Y189 HydrophobicContact CG2-CG 4.36Å; A174-Y189 HydrophobicContact CB-CE1 4.02Å; A174-Y189 PolarHBondContact N-OH 2.85Å; I186-Y189 HydrophobicContact CG2-CD2 4.44Å; I186-Y189 HydrophobicContact CG2-CE1 4.17Å; I186-Y189 HydrophobicContact CG2-CE2 3.83Å; Y189-I200 VanDerWaalsContact CB-CD1 3.49Å; Y189-I200 HydrophobicContact CG-CD1 4.13Å; Y189-I200 WeakPolarHBondContact O-CG2 3.5Å; Y189-K202 WeakPolarHBondContact CD2-O 3.27Å; Y189-T225 WeakPolarHBondContact CA-O 3.38Å; Y189-A226 HydrophobicContact CD1-CB 3.64Å; Y189-A226 HydrophobicContact CE1-CB 3.71Å
190	E	97	Very high	94.2	Very high	98 Å²	98	60.1 Å²	60.1	46%	0.458	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	137.8	-179.6	178.9	173.8	-142.6	0	0	110.5	V224 T225 Y227	E190-V224 WeakPolarHBondContact O-CA 3.26Å; E190-T225 HydrophobicContact CB-CG2 4.04Å; E190-T225 PolarHBondContact N-O 3.19Å; E190-T225 PolarHBondContact O-N 2.93Å; E190-Y227 HydrophobicContact CB-CE2 4.15Å; E190-Y227 PolarHBondContact OE2-OH 2.91Å
191	I	97.9	Very high	94.6	Very high	26 Å²	26	61.5 Å²	61.5	13%	0.133	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	113.4	170.4	-59.5	171.7	0	0	0	107.1	V196 F198 I200 L222 V224	I191-V196 HydrophobicContact CG2-CG2 3.87Å; I191-F198 HydrophobicContact CD1-CB 3.86Å; I191-I200 HydrophobicContact CD1-CB 4.14Å; I191-I200 HydrophobicContact CD1-CG2 4.39Å; I191-I200 HydrophobicContact CG1-CB 3.99Å; I191-I200 HydrophobicContact CG1-CG2 3.84Å; I191-L222 HydrophobicContact CD1-CD1 4.45Å; I191-L222 HydrophobicContact CG2-CB 4.32Å; I191-V224 HydrophobicContact CG1-CG2 4.24Å
192	V	96.8	Very high	94.9	Very high	63 Å²	63	60.7 Å²	60.7	38%	0.382	33%	0.327	S	S	.	.			trans	-77.8	-25.9	-176.9	-175	0	0	0	0	111.4	P194 T223 T225	V192-P194 WeakPolarHBondContact O-CD 3.49Å; V192-T223 HydrophobicContact CB-CG2 4.18Å; V192-T223 PolarHBondContact N-O 2.92Å; V192-T225 HydrophobicContact CG2-CG2 3.74Å
193	T	95.6	Very high	95.2	Very high	37 Å²	37	58.3 Å²	58.3	23%	0.227	32%	0.318	C	S	.	.	S	Bend	trans	-69.6	118.2	178	-48.4	0	0	0	0	110.7	V196 T223	T193-V196 HydrophobicContact CG2-CG1 3.56Å; T193-V196 WeakPolarHBondContact O-CG2 3.05Å; T193-T223 PolarHBondContact OG1-N 2.87Å
194	P	93.9	Very high	95.4	Very high	95 Å²	95	56.5 Å²	56.5	62%	0.617	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	162.1	179.1	32	-36.2	0	0	0	111.9	V192 V196	V192-P194 WeakPolarHBondContact O-CD 3.49Å; P194-V196 WeakPolarHBondContact O-CG1 3.32Å; P194-V196 PolarHBondContact O-N 2.04Å; P194-V196 VanDerWaalsContact O-N 3.11Å
195	D	90.7	Very high	95.7	Very high	171 Å²	171	57.6 Å²	57.6	91%	0.914	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	25.4	170	-55.2	-43.9	0	0	0	116.1
196	V	94.9	Very high	95.8	Very high	33 Å²	33	53.7 Å²	53.7	20%	0.2	29%	0.292	C	S	.	.			trans	-95.3	143.7	177	-61.5	0	0	0	0	112.6	I191 T193 P194 F198 L222	I191-V196 HydrophobicContact CG2-CG2 3.87Å; T193-V196 HydrophobicContact CG2-CG1 3.56Å; T193-V196 WeakPolarHBondContact O-CG2 3.05Å; P194-V196 WeakPolarHBondContact O-CG1 3.32Å; P194-V196 PolarHBondContact O-N 2.04Å; P194-V196 VanDerWaalsContact O-N 3.11Å; V196-F198 HydrophobicContact CB-CD2 4.19Å; V196-F198 HydrophobicContact CG2-CB 4.44Å; V196-F198 PolarHBondContact O-N 3.36Å; V196-L222 HydrophobicContact CB-CD2 3.82Å; V196-L222 HydrophobicContact CG1-CD2 3.75Å; V196-L222 HydrophobicContact CG2-CD2 3.9Å
197	P	95.9	Very high	95.9	Very high	13 Å²	13	56 Å²	56	8%	0.084	30%	0.301	C	S	.	.	S	Bend	trans	-78.9	40.7	-178.9	33.5	-36.7	0	0	0	113	N208 T209 E210 L212 Y220	P197-N208 CarbonylContact O-C 3.35Å; P197-N208 VanDerWaalsContact O-CA 3.25Å; P197-N208 WeakPolarHBondContact O-CA 3.43Å; P197-T209 VanDerWaalsContact C-OG1 3.23Å; P197-T209 WeakPolarHBondContact CA-OG1 3.41Å; P197-T209 PolarHBondContact O-N 3.02Å; P197-T209 PolarHBondContact O-OG1 2.99Å; P197-E210 HydrophobicContact CB-CG 3.62Å; P197-L212 HydrophobicContact CB-CD2 4.17Å; P197-L212 HydrophobicContact CG-CD2 3.67Å; P197-Y220 HydrophobicContact CG-CE1 3.79Å; P197-Y220 HydrophobicContact CG-CE2 4.36Å
198	F	97.4	Very high	96	Very high	10 Å²	10	53 Å²	53	4%	0.044	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	153.1	-176.1	-60.3	-89.7	0	0	0	111.8	I169 I191 V196 I206 K207 N208 L212 Y220 L222 I242	I169-F198 HydrophobicContact CD1-CD1 3.94Å; I169-F198 HydrophobicContact CD1-CE1 3.63Å; I191-F198 HydrophobicContact CD1-CB 3.86Å; V196-F198 HydrophobicContact CB-CD2 4.19Å; V196-F198 HydrophobicContact CG2-CB 4.44Å; V196-F198 PolarHBondContact O-N 3.36Å; F198-I206 HydrophobicContact CB-CG2 4.31Å; F198-I206 HydrophobicContact CD1-CG2 4.08Å; F198-K207 CarbonylContact C-O 3.53Å; F198-K207 WeakPolarHBondContact CA-O 3.42Å; F198-N208 HydrophobicContact CD1-CB 3.99Å; F198-N208 HydrophobicContact CE1-CB 3.92Å; F198-L212 HydrophobicContact CE1-CD1 3.98Å; F198-L212 HydrophobicContact CE1-CD2 4.45Å; F198-L212 HydrophobicContact CE2-CD2 4.26Å; F198-L212 HydrophobicContact CZ-CD1 3.75Å; F198-L212 HydrophobicContact CZ-CD2 3.84Å; F198-L212 HydrophobicContact CZ-CG 4.45Å; F198-Y220 AromaticContact CE2-CD1 3.74Å; F198-Y220 HydrophobicContact CE2-CD1 3.74Å; F198-Y220 AromaticContact CE2-CD2 3.7Å; F198-Y220 HydrophobicContact CE2-CD2 3.7Å; F198-Y220 HydrophobicContact CE2-CE1 4.25Å; F198-Y220 HydrophobicContact CE2-CE2 4.21Å; F198-Y220 AromaticContact CE2-CG 3.44Å; F198-Y220 HydrophobicContact CE2-CG 3.44Å; F198-Y220 VanDerWaalsContact CE2-CG 3.44Å; F198-Y220 AromaticContact CZ-CD2 3.83Å; F198-Y220 HydrophobicContact CZ-CD2 3.83Å; F198-Y220 HydrophobicContact CZ-CE2 4.41Å; F198-Y220 AromaticContact CZ-CG 3.96Å; F198-Y220 HydrophobicContact CZ-CG 3.96Å; F198-L222 HydrophobicContact CB-CD1 3.96Å; F198-L222 HydrophobicContact CD1-CD1 4.33Å; F198-L222 HydrophobicContact CD2-CD1 3.94Å; F198-L222 HydrophobicContact CD2-CD2 3.86Å; F198-L222 HydrophobicContact CD2-CG 4.49Å; F198-L222 HydrophobicContact CE2-CD2 4.35Å; F198-L222 HydrophobicContact CG-CD1 3.81Å; F198-I242 HydrophobicContact CD1-CD1 3.83Å; F198-I242 HydrophobicContact CE1-CD1 3.49Å; F198-I242 VanDerWaalsContact CE1-CD1 3.49Å; F198-I242 HydrophobicContact CE1-CG2 4.33Å; F198-I242 HydrophobicContact CZ-CD1 3.97Å; F198-I242 HydrophobicContact CZ-CG2 4.33Å
199	T	96.9	Very high	96	Very high	57 Å²	57	53.7 Å²	53.7	35%	0.35	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	152	169.2	45.9	0	0	0	0	108.9	I206 K207 T209	T199-I206 WeakPolarHBondContact O-CA 3.49Å; T199-K207 PolarHBondContact N-O 3.27Å; T199-K207 PolarHBondContact O-N 3.04Å; T199-K207 VanDerWaalsContact OG1-CE 3.26Å; T199-K207 WeakPolarHBondContact OG1-CE 3.42Å; T199-K207 VanDerWaalsContact OG1-CG 3.28Å; T199-K207 WeakPolarHBondContact OG1-CG 3.45Å; T199-T209 HydrophobicContact CG2-CG2 3.62Å
200	I	97.7	Very high	95.8	Very high	27 Å²	27	57.2 Å²	57.2	14%	0.138	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	147.9	172.8	-168.4	162.2	0	0	0	109	V172 Y189 I191 F205 I206 V224	V172-I200 HydrophobicContact CG2-CD1 3.59Å; Y189-I200 VanDerWaalsContact CB-CD1 3.49Å; Y189-I200 HydrophobicContact CG-CD1 4.13Å; Y189-I200 WeakPolarHBondContact O-CG2 3.5Å; I191-I200 HydrophobicContact CD1-CB 4.14Å; I191-I200 HydrophobicContact CD1-CG2 4.39Å; I191-I200 HydrophobicContact CG1-CB 3.99Å; I191-I200 HydrophobicContact CG1-CG2 3.84Å; I200-F205 WeakPolarHBondContact CA-O 3.36Å; I200-I206 HydrophobicContact CB-CG1 4.26Å; I200-I206 HydrophobicContact CD1-CD1 4.34Å; I200-I206 HydrophobicContact CD1-CG1 3.82Å; I200-I206 HydrophobicContact CG1-CG1 3.99Å; I200-V224 HydrophobicContact CD1-CG1 3.66Å
201	D	95.5	Very high	95.7	Very high	48 Å²	48	59.4 Å²	59.4	26%	0.257	31%	0.308	S	S	.	.			trans	-98.4	171.7	170.1	70.2	23.7	0	0	0	112.8	D203 G204 F205	D201-D203 PolarHBondContact O-N 2.92Å; D201-D203 VanDerWaalsContact O-N 3.16Å; D201-D203 WeakPolarHBondContact OD1-CA 3.39Å; D201-D203 PolarHBondContact OD1-N 2.82Å; D201-G204 PolarHBondContact O-N 2.88Å; D201-G204 VanDerWaalsContact O-N 3.09Å; D201-G204 PolarHBondContact OD1-N 2.9Å; D201-F205 PolarHBondContact N-O 2.83Å; D201-F205 PolarHBondContact OD1-N 2.83Å
202	K	93.9	Very high	95.5	Very high	140 Å²	140	58.4 Å²	58.4	61%	0.609	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-20	179	57.5	156.6	-164.4	154.8	0	114.1	Y189	Y189-K202 WeakPolarHBondContact CD2-O 3.27Å
203	D	94.4	Very high	95.3	Very high	80 Å²	80	57.5 Å²	57.5	43%	0.428	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-0.9	-178.3	-58.5	-57.6	0	0	0	111.1	K171 D201 F205	K171-D203 WeakPolarHBondContact CE-O 3.33Å; D201-D203 PolarHBondContact O-N 2.92Å; D201-D203 VanDerWaalsContact O-N 3.16Å; D201-D203 WeakPolarHBondContact OD1-CA 3.39Å; D201-D203 PolarHBondContact OD1-N 2.82Å; D203-F205 HydrophobicContact CB-CD2 4.04Å; D203-F205 HydrophobicContact CB-CE2 4.11Å
204	G	95.6	Very high	95	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	96.1	5.7	173.6	0	0	0	0	0	114.9	K171 V172 D201	K171-G204 WeakPolarHBondContact CA-O 3.34Å; V172-G204 PolarHBondContact N-O 2.88Å; D201-G204 PolarHBondContact O-N 2.88Å; D201-G204 VanDerWaalsContact O-N 3.09Å; D201-G204 PolarHBondContact OD1-N 2.9Å
205	F	97.6	Very high	94.7	Very high	62 Å²	62	58.5 Å²	58.5	27%	0.272	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.9	-179.4	-63.7	-80.4	0	0	0	112	N168 K171 I200 D201 D203	N168-F205 WeakPolarHBondContact OD1-CD1 3.42Å; K171-F205 HydrophobicContact CB-CD1 3.71Å; K171-F205 HydrophobicContact CB-CE1 3.72Å; K171-F205 HydrophobicContact CB-CG 4.48Å; K171-F205 HydrophobicContact CB-CZ 4.48Å; K171-F205 HydrophobicContact CD-CD1 4.4Å; K171-F205 HydrophobicContact CD-CE1 3.84Å; K171-F205 HydrophobicContact CD-CE2 4.25Å; K171-F205 HydrophobicContact CD-CZ 3.75Å; K171-F205 HydrophobicContact CG-CD1 3.84Å; K171-F205 HydrophobicContact CG-CD2 4.47Å; K171-F205 HydrophobicContact CG-CE1 3.78Å; K171-F205 HydrophobicContact CG-CE2 4.41Å; K171-F205 HydrophobicContact CG-CG 4.21Å; K171-F205 HydrophobicContact CG-CZ 4.08Å; I200-F205 WeakPolarHBondContact CA-O 3.36Å; D201-F205 PolarHBondContact N-O 2.83Å; D201-F205 PolarHBondContact OD1-N 2.83Å; D203-F205 HydrophobicContact CB-CD2 4.04Å; D203-F205 HydrophobicContact CB-CE2 4.11Å
206	I	97.9	Very high	94.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	134	176.2	-60.8	176.9	0	0	0	109.6	I169 L170 V172 F198 T199 I200 L222 V224 V240 I242	I169-I206 WeakPolarHBondContact CB-O 3.45Å; I169-I206 PolarHBondContact N-O 2.87Å; L170-I206 HydrophobicContact CD1-CD1 3.96Å; L170-I206 HydrophobicContact CG-CD1 4.39Å; L170-I206 PolarHBondContact O-N 2.87Å; V172-I206 HydrophobicContact CG1-CD1 4.12Å; F198-I206 HydrophobicContact CB-CG2 4.31Å; F198-I206 HydrophobicContact CD1-CG2 4.08Å; T199-I206 WeakPolarHBondContact O-CA 3.49Å; I200-I206 HydrophobicContact CB-CG1 4.26Å; I200-I206 HydrophobicContact CD1-CD1 4.34Å; I200-I206 HydrophobicContact CD1-CG1 3.82Å; I200-I206 HydrophobicContact CG1-CG1 3.99Å; I206-L222 HydrophobicContact CG2-CD1 4.27Å; I206-V224 HydrophobicContact CD1-CG2 4.21Å; I206-V240 HydrophobicContact CD1-CB 4.49Å; I206-V240 HydrophobicContact CD1-CG1 3.98Å; I206-V240 HydrophobicContact CD1-CG2 4.14Å; I206-I242 HydrophobicContact CG2-CD1 4.14Å
207	K	96.8	Very high	94.5	Very high	77 Å²	77	60 Å²	60	34%	0.335	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	149.9	178.6	65.9	-170.1	174.9	-162.9	0	111.4	Y166 F198 T199	Y166-K207 WeakPolarHBondContact O-CA 3.4Å; Y166-K207 VanDerWaalsContact O-CB 3.23Å; Y166-K207 WeakPolarHBondContact O-CB 3.49Å; F198-K207 CarbonylContact C-O 3.53Å; F198-K207 WeakPolarHBondContact CA-O 3.42Å; T199-K207 PolarHBondContact N-O 3.27Å; T199-K207 PolarHBondContact O-N 3.04Å; T199-K207 VanDerWaalsContact OG1-CE 3.26Å; T199-K207 WeakPolarHBondContact OG1-CE 3.42Å; T199-K207 VanDerWaalsContact OG1-CG 3.28Å; T199-K207 WeakPolarHBondContact OG1-CG 3.45Å
208	N	96.5	Very high	94.3	Very high	1 Å²	1	64 Å²	64	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	140.9	176.1	59.9	-51.5	0	0	0	112.4	K164 K165 Y166 I169 P197 F198 E210 L212	K164-N208 PolarHBondContact O-ND2 3.09Å; K165-N208 VanDerWaalsContact CE-O 3.23Å; K165-N208 WeakPolarHBondContact CE-O 3.08Å; Y166-N208 PolarHBondContact N-OD1 3.27Å; Y166-N208 PolarHBondContact O-OD1 2.67Å; I169-N208 HydrophobicContact CD1-CB 4.18Å; P197-N208 CarbonylContact O-C 3.35Å; P197-N208 VanDerWaalsContact O-CA 3.25Å; P197-N208 WeakPolarHBondContact O-CA 3.43Å; F198-N208 HydrophobicContact CD1-CB 3.99Å; F198-N208 HydrophobicContact CE1-CB 3.92Å; N208-E210 PolarHBondContact ND2-O 2.85Å; N208-L212 HydrophobicContact CB-CD1 4.2Å; N208-L212 HydrophobicContact CB-CD2 4.23Å; N208-L212 HydrophobicContact CB-CG 4.17Å
209	T	94.9	Very high	94.3	Very high	62 Å²	62	66.9 Å²	66.9	38%	0.38	34%	0.338	S	S	.	.	S	Bend	trans	-81	-37.5	-179.6	54.1	0	0	0	0	111.8	K165 P197 T199	K165-T209 WeakPolarHBondContact CE-O 3.49Å; K165-T209 PolarHBondContact NZ-O 3.16Å; P197-T209 VanDerWaalsContact C-OG1 3.23Å; P197-T209 WeakPolarHBondContact CA-OG1 3.41Å; P197-T209 PolarHBondContact O-N 3.02Å; P197-T209 PolarHBondContact O-OG1 2.99Å; T199-T209 HydrophobicContact CG2-CG2 3.62Å
210	E	94.6	Very high	94.2	Very high	101 Å²	101	66.1 Å²	66.1	47%	0.472	33%	0.329	S	S	.	.	S	Bend	trans	-126.7	168	178.5	60.4	167.4	-140.9	0	0	112.4	P197 N208 L212	P197-E210 HydrophobicContact CB-CG 3.62Å; N208-E210 PolarHBondContact ND2-O 2.85Å; E210-L212 PolarHBondContact O-N 3.06Å
211	K	94.2	Very high	94.2	Very high	145 Å²	145	70.8 Å²	70.8	63%	0.63	35%	0.348	S	S	*	.			trans	-69.2	116	177.2	-70.3	-179.9	169	-165.9	0	110.1	G163	G163-K211 WeakPolarHBondContact O-CD 3.22Å; G163-K211 WeakPolarHBondContact O-CE 3.45Å; G163-K211 WeakPolarHBondContact O-CG 3.22Å
212	L	93.8	Very high	94.3	Very high	5 Å²	5	68.5 Å²	68.5	3%	0.026	34%	0.336	C	S	.	.			trans	-68.1	154.1	177.1	-54	174.2	0	0	0	110.5	V160 E162 G163 P197 F198 N208 E210 Y220 I244	V160-L212 HydrophobicContact CG2-CD1 3.74Å; E162-L212 WeakPolarHBondContact CB-O 3.45Å; G163-L212 PolarHBondContact N-O 2.78Å; P197-L212 HydrophobicContact CB-CD2 4.17Å; P197-L212 HydrophobicContact CG-CD2 3.67Å; F198-L212 HydrophobicContact CE1-CD1 3.98Å; F198-L212 HydrophobicContact CE1-CD2 4.45Å; F198-L212 HydrophobicContact CE2-CD2 4.26Å; F198-L212 HydrophobicContact CZ-CD1 3.75Å; F198-L212 HydrophobicContact CZ-CD2 3.84Å; F198-L212 HydrophobicContact CZ-CG 4.45Å; N208-L212 HydrophobicContact CB-CD1 4.2Å; N208-L212 HydrophobicContact CB-CD2 4.23Å; N208-L212 HydrophobicContact CB-CG 4.17Å; E210-L212 PolarHBondContact O-N 3.06Å; L212-Y220 HydrophobicContact CD2-CE2 4.05Å; L212-I244 HydrophobicContact CB-CD1 3.83Å; L212-I244 HydrophobicContact CB-CG1 4.35Å; L212-I244 HydrophobicContact CD1-CD1 4.14Å; L212-I244 HydrophobicContact CD1-CG1 4.21Å; L212-I244 HydrophobicContact CG-CD1 4.44Å
213	S	91.8	Very high	94.5	Very high	43 Å²	43	64.2 Å²	64.2	30%	0.301	32%	0.322	S	S	.	.			trans	-136.8	127.4	178.4	179.3	0	0	0	0	110.6	G215 K216 E217	S213-G215 VanDerWaalsContact C-N 3.34Å; S213-G215 PolarHBondContact O-N 2.98Å; S213-K216 PolarHBondContact O-N 3.38Å; S213-K216 VanDerWaalsContact O-N 3.16Å; S213-E217 PolarHBondContact O-N 3.25Å
214	Y	90.3	Very high	94.7	Very high	84 Å²	84	60.4 Å²	60.4	33%	0.329	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-41.1	-177.5	-176	-104.9	0	0	0	111.8	E162 K216 E217 H218 I244 P246	E162-Y214 WeakPolarHBondContact OE2-CB 3.08Å; E162-Y214 PolarHBondContact OE2-N 2.92Å; Y214-K216 PolarHBondContact O-N 2.77Å; Y214-E217 CarbonylContact O-C 3.57Å; Y214-E217 PolarHBondContact O-N 3.2Å; Y214-H218 AromaticContact CE1-CD2 3.74Å; Y214-H218 AromaticContact CE1-NE2 3.56Å; Y214-H218 HydrophobicContact CE2-CB 4.49Å; Y214-H218 AromaticContact CE2-CD2 3.5Å; Y214-H218 VanDerWaalsContact CE2-CD2 3.5Å; Y214-H218 WeakPolarHBondContact CE2-CD2 3.23Å; Y214-H218 AromaticContact CZ-CD2 3.29Å; Y214-H218 AromaticContact CZ-NE2 3.63Å; Y214-H218 PolarHBondContact O-CE1 3.46Å; Y214-H218 PolarHBondContact O-ND1 3.13Å; Y214-H218 PolarHBondContact OH-CD2 2.91Å; Y214-I244 HydrophobicContact CD2-CB 4.34Å; Y214-I244 HydrophobicContact CD2-CG2 4.1Å; Y214-I244 VanDerWaalsContact CD2-O 3.26Å; Y214-I244 WeakPolarHBondContact CD2-O 3.25Å; Y214-I244 VanDerWaalsContact CE2-O 3.28Å; Y214-I244 WeakPolarHBondContact CE2-O 3.3Å; Y214-P246 HydrophobicContact CD1-CB 4.13Å; Y214-P246 HydrophobicContact CD1-CG 4.4Å; Y214-P246 HydrophobicContact CE1-CG 4.45Å; Y214-P246 HydrophobicContact CG-CB 4.19Å
215	G	86.8	Confident	94.8	Very high	69 Å²	69	60.4 Å²	60.4	71%	0.711	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-8	177.4	0	0	0	0	0	115.4	S213	S213-G215 VanDerWaalsContact C-N 3.34Å; S213-G215 PolarHBondContact O-N 2.98Å
216	K	89.6	Confident	94.8	Very high	156 Å²	156	57.5 Å²	57.5	68%	0.678	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-51.4	170.7	-70	-171.4	-179.6	-178.3	0	111.7	S213 Y214	S213-K216 PolarHBondContact O-N 3.38Å; S213-K216 VanDerWaalsContact O-N 3.16Å; Y214-K216 PolarHBondContact O-N 2.77Å
217	E	91.6	Very high	94.7	Very high	80 Å²	80	60.3 Å²	60.3	37%	0.374	30%	0.299	S	S	.	.			trans	-148.2	132.4	-176.5	-176.4	51.8	-96.7	0	0	109	S213 Y214 M219 Y220 I244	S213-E217 PolarHBondContact O-N 3.25Å; Y214-E217 CarbonylContact O-C 3.57Å; Y214-E217 PolarHBondContact O-N 3.2Å; E217-M219 PolarHBondContact OE1-N 2.85Å; E217-Y220 HydrophobicContact CB-CE1 4.42Å; E217-Y220 HydrophobicContact CB-CE2 3.81Å; E217-Y220 HydrophobicContact CG-CD1 4.29Å; E217-Y220 HydrophobicContact CG-CD2 4.04Å; E217-Y220 HydrophobicContact CG-CE1 4.03Å; E217-Y220 HydrophobicContact CG-CE2 3.76Å; E217-Y220 HydrophobicContact CG-CG 4.3Å; E217-I244 VanDerWaalsContact O-CD1 3.26Å; E217-I244 WeakPolarHBondContact O-CD1 3.28Å
218	H	93.3	Very high	94.6	Very high	96 Å²	96	56.8 Å²	56.8	44%	0.444	28%	0.284	S	S	.	.	S	Bend	trans	-92.1	-28.2	-174.6	-67.5	61.4	0	0	0	111.4	Y214 I244	Y214-H218 AromaticContact CE1-CD2 3.74Å; Y214-H218 AromaticContact CE1-NE2 3.56Å; Y214-H218 HydrophobicContact CE2-CB 4.49Å; Y214-H218 AromaticContact CE2-CD2 3.5Å; Y214-H218 VanDerWaalsContact CE2-CD2 3.5Å; Y214-H218 WeakPolarHBondContact CE2-CD2 3.23Å; Y214-H218 AromaticContact CZ-CD2 3.29Å; Y214-H218 AromaticContact CZ-NE2 3.63Å; Y214-H218 PolarHBondContact O-CE1 3.46Å; Y214-H218 PolarHBondContact O-ND1 3.13Å; Y214-H218 PolarHBondContact OH-CD2 2.91Å; H218-I244 PolarHBondContact O-N 2.94Å
219	M	95.9	Very high	94.4	Very high	72 Å²	72	58.5 Å²	58.5	36%	0.355	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	119.3	-178.7	173.5	-175.5	45.6	0	0	111.3	E217 K241 I242	E217-M219 PolarHBondContact OE1-N 2.85Å; M219-K241 HydrophobicContact SD-CB 4.41Å; M219-K241 HydrophobicContact SD-CD 4.37Å; M219-I242 WeakPolarHBondContact CA-O 3.13Å
220	Y	96.3	Very high	94.1	Very high	41 Å²	41	57 Å²	57	16%	0.161	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	135.2	169.5	-72.1	-88.8	0	0	0	111.1	P197 F198 L212 E217 K241 I242 I244	P197-Y220 HydrophobicContact CG-CE1 3.79Å; P197-Y220 HydrophobicContact CG-CE2 4.36Å; F198-Y220 AromaticContact CE2-CD1 3.74Å; F198-Y220 HydrophobicContact CE2-CD1 3.74Å; F198-Y220 AromaticContact CE2-CD2 3.7Å; F198-Y220 HydrophobicContact CE2-CD2 3.7Å; F198-Y220 HydrophobicContact CE2-CE1 4.25Å; F198-Y220 HydrophobicContact CE2-CE2 4.21Å; F198-Y220 AromaticContact CE2-CG 3.44Å; F198-Y220 HydrophobicContact CE2-CG 3.44Å; F198-Y220 VanDerWaalsContact CE2-CG 3.44Å; F198-Y220 AromaticContact CZ-CD2 3.83Å; F198-Y220 HydrophobicContact CZ-CD2 3.83Å; F198-Y220 HydrophobicContact CZ-CE2 4.41Å; F198-Y220 AromaticContact CZ-CG 3.96Å; F198-Y220 HydrophobicContact CZ-CG 3.96Å; L212-Y220 HydrophobicContact CD2-CE2 4.05Å; E217-Y220 HydrophobicContact CB-CE1 4.42Å; E217-Y220 HydrophobicContact CB-CE2 3.81Å; E217-Y220 HydrophobicContact CG-CD1 4.29Å; E217-Y220 HydrophobicContact CG-CD2 4.04Å; E217-Y220 HydrophobicContact CG-CE1 4.03Å; E217-Y220 HydrophobicContact CG-CE2 3.76Å; E217-Y220 HydrophobicContact CG-CG 4.3Å; Y220-K241 WeakPolarHBondContact O-CA 3.28Å; Y220-I242 PolarHBondContact N-O 2.84Å; Y220-I242 PolarHBondContact O-N 3.4Å; Y220-I244 HydrophobicContact CD2-CD1 3.71Å; Y220-I244 HydrophobicContact CE2-CD1 3.5Å; Y220-I244 VanDerWaalsContact CE2-CD1 3.5Å
221	K	97.2	Very high	93.9	Very high	125 Å²	125	60.6 Å²	60.6	54%	0.543	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	107.2	171.5	-63.9	176.3	-168.8	166.5	0	107.6	L239 V240	K221-L239 HydrophobicContact CB-CD1 4.18Å; K221-V240 WeakPolarHBondContact CA-O 3.5Å
222	L	97.3	Very high	93.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	135.8	179.5	-44	177.1	0	0	0	109.3	I191 V196 F198 I206 V224 V240 I242	I191-L222 HydrophobicContact CD1-CD1 4.45Å; I191-L222 HydrophobicContact CG2-CB 4.32Å; V196-L222 HydrophobicContact CB-CD2 3.82Å; V196-L222 HydrophobicContact CG1-CD2 3.75Å; V196-L222 HydrophobicContact CG2-CD2 3.9Å; F198-L222 HydrophobicContact CB-CD1 3.96Å; F198-L222 HydrophobicContact CD1-CD1 4.33Å; F198-L222 HydrophobicContact CD2-CD1 3.94Å; F198-L222 HydrophobicContact CD2-CD2 3.86Å; F198-L222 HydrophobicContact CD2-CG 4.49Å; F198-L222 HydrophobicContact CE2-CD2 4.35Å; F198-L222 HydrophobicContact CG-CD1 3.81Å; I206-L222 HydrophobicContact CG2-CD1 4.27Å; L222-V224 HydrophobicContact CB-CG2 4.41Å; L222-V240 HydrophobicContact CB-CB 4.23Å; L222-V240 PolarHBondContact N-O 2.9Å; L222-V240 PolarHBondContact O-N 3.48Å; L222-I242 HydrophobicContact CD1-CD1 3.78Å
223	T	97.8	Very high	94	Very high	50 Å²	50	60.5 Å²	60.5	31%	0.307	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.9	168.2	-57.8	0	0	0	0	107.3	V192 T193 D237	V192-T223 HydrophobicContact CB-CG2 4.18Å; V192-T223 PolarHBondContact N-O 2.92Å; T193-T223 PolarHBondContact OG1-N 2.87Å; T223-D237 HydrophobicContact CG2-CB 3.46Å; T223-D237 VanDerWaalsContact CG2-CB 3.46Å
224	V	98.1	Very high	94.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.8	-175.8	-177.2	0	0	0	0	109.6	F151 V172 E190 I191 I200 I206 L222 D237 V238 V240	F151-V224 WeakPolarHBondContact CE2-O 3.39Å; F151-V224 HydrophobicContact CZ-CG1 4.32Å; V172-V224 HydrophobicContact CG2-CG1 4.13Å; E190-V224 WeakPolarHBondContact O-CA 3.26Å; I191-V224 HydrophobicContact CG1-CG2 4.24Å; I200-V224 HydrophobicContact CD1-CG1 3.66Å; I206-V224 HydrophobicContact CD1-CG2 4.21Å; L222-V224 HydrophobicContact CB-CG2 4.41Å; V224-D237 WeakPolarHBondContact O-CA 3.46Å; V224-V238 HydrophobicContact CB-CG1 3.98Å; V224-V238 PolarHBondContact N-O 3.25Å; V224-V238 PolarHBondContact O-N 3.49Å; V224-V240 HydrophobicContact CB-CG2 4.32Å; V224-V240 HydrophobicContact CG2-CG2 3.66Å
225	T	97.8	Very high	94.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	163.1	175.7	-153.5	0	0	0	0	110.6	Y189 E190 V192 Y227 R233 D237	Y189-T225 WeakPolarHBondContact CA-O 3.38Å; E190-T225 HydrophobicContact CB-CG2 4.04Å; E190-T225 PolarHBondContact N-O 3.19Å; E190-T225 PolarHBondContact O-N 2.93Å; V192-T225 HydrophobicContact CG2-CG2 3.74Å; T225-Y227 HydrophobicContact CG2-CD2 4.41Å; T225-Y227 HydrophobicContact CG2-CE2 3.61Å; T225-R233 PolarHBondContact OG1-NH1 3.2Å; T225-R233 PolarHBondContact OG1-NH2 3.45Å; T225-D237 WeakPolarHBondContact CB-OD1 2.84Å; T225-D237 PolarHBondContact OG1-OD1 2.92Å
226	A	97.7	Very high	94.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	154	176.9	0	0	0	0	0	109.6	P149 F151 A174 I186 S188 Y189 A234	P149-A226 HydrophobicContact CB-CB 4.13Å; F151-A226 HydrophobicContact CE1-CB 4.32Å; F151-A226 HydrophobicContact CE2-CB 4.26Å; F151-A226 HydrophobicContact CZ-CB 3.78Å; A174-A226 HydrophobicContact CB-CB 3.78Å; I186-A226 HydrophobicContact CG2-CB 4.21Å; S188-A226 WeakPolarHBondContact O-CA 3.4Å; Y189-A226 HydrophobicContact CD1-CB 3.64Å; Y189-A226 HydrophobicContact CE1-CB 3.71Å; A226-A234 HydrophobicContact CB-CB 4.2Å; A226-A234 PolarHBondContact O-N 3.39Å
227	Y	95.9	Very high	95.3	Very high	60 Å²	60	57.5 Å²	57.5	24%	0.235	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.7	171.6	-59.2	-90.3	0	0	0	109.1	I186 C187 S188 E190 T225 N232 R233	I186-Y227 WeakPolarHBondContact CG2-O 3.38Å; C187-Y227 PolarHBondContact N-O 2.69Å; S188-Y227 PolarHBondContact N-O 3.11Å; S188-Y227 PolarHBondContact O-N 2.97Å; E190-Y227 HydrophobicContact CB-CE2 4.15Å; E190-Y227 PolarHBondContact OE2-OH 2.91Å; T225-Y227 HydrophobicContact CG2-CD2 4.41Å; T225-Y227 HydrophobicContact CG2-CE2 3.61Å; Y227-N232 WeakPolarHBondContact CA-O 3.43Å; Y227-R233 HydrophobicContact CD1-CB 3.99Å; Y227-R233 HydrophobicContact CD1-CG 4.22Å; Y227-R233 HydrophobicContact CE1-CB 3.69Å; Y227-R233 HydrophobicContact CE1-CG 3.64Å
228	D	95	Very high	95.6	Very high	3 Å²	3	54 Å²	54	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	178.8	166.6	78.9	-31	0	0	0	111	N145 P149 F183 Q185 G230 K231 N232	N145-D228 PolarHBondContact ND2-OD2 3.49Å; P149-D228 HydrophobicContact CG-CB 4.02Å; F183-D228 WeakPolarHBondContact O-CB 3.36Å; Q185-D228 CarbonylContact O-C 3.27Å; Q185-D228 WeakPolarHBondContact O-CA 3.5Å; D228-G230 VanDerWaalsContact C-N 3.32Å; D228-G230 VanDerWaalsContact CG-N 3.26Å; D228-G230 PolarHBondContact OD1-N 2.87Å; D228-G230 WeakPolarHBondContact OD2-CA 3.23Å; D228-G230 PolarHBondContact OD2-N 2.68Å; D228-K231 VanDerWaalsContact OD1-C 3.3Å; D228-K231 VanDerWaalsContact OD1-CA 3.25Å; D228-K231 WeakPolarHBondContact OD1-CA 3.36Å; D228-K231 PolarHBondContact OD1-N 2.73Å; D228-N232 PolarHBondContact N-O 3.02Å; D228-N232 WeakPolarHBondContact OD1-CA 3.49Å; D228-N232 PolarHBondContact OD1-N 3.26Å; D228-N232 VanDerWaalsContact OD1-O 3.04Å
229	C	91.8	Very high	95.8	Very high	36 Å²	36	52.2 Å²	52.2	24%	0.243	26%	0.262	C	S	.	.	S	Bend	trans	-80.3	-11.2	175.5	-67	0	0	0	0	113.5	Q182 Q185 C187	Q182-C229 VanDerWaalsContact O-CB 3.27Å; Q182-C229 WeakPolarHBondContact O-CB 3.49Å; Q185-C229 PolarHBondContact O-N 2.95Å; Q185-C229 PolarHBondContact O-SG 3.29Å; C187-C229 HydrophobicContact CB-CB 3.92Å; C187-C229 WeakPolarHBondContact CB-SG 3.39Å; C187-C229 WeakPolarHBondContact SG-CA 3.4Å; C187-C229 WeakPolarHBondContact SG-CB 3.31Å; C187-C229 CovalentContact SG-SG 2.04Å; C187-C229 PolarHBondContact SG-SG 2.82Å
230	G	89.4	Confident	95.9	Very high	30 Å²	30	48.8 Å²	48.8	31%	0.309	25%	0.245	S	C	.	.	S	Bend	trans	-84.2	-11.1	169.3	0	0	0	0	0	115.3	N145 D228	N145-G230 WeakPolarHBondContact ND2-CA 3.43Å; D228-G230 VanDerWaalsContact C-N 3.32Å; D228-G230 VanDerWaalsContact CG-N 3.26Å; D228-G230 PolarHBondContact OD1-N 2.87Å; D228-G230 WeakPolarHBondContact OD2-CA 3.23Å; D228-G230 PolarHBondContact OD2-N 2.68Å
231	K	90	Very high	96	Very high	177 Å²	177	50 Å²	50	77%	0.77	25%	0.252	S	S	*	.			trans	79.5	15.7	-177.1	-49.3	174.6	-178.4	175.9	0	116.5	D228	D228-K231 VanDerWaalsContact OD1-C 3.3Å; D228-K231 VanDerWaalsContact OD1-CA 3.25Å; D228-K231 WeakPolarHBondContact OD1-CA 3.36Å; D228-K231 PolarHBondContact OD1-N 2.73Å
232	N	94.3	Very high	96	Very high	53 Å²	53	44 Å²	44	28%	0.283	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-64.9	136.3	159.6	-78.3	-3.3	0	0	0	109.9	N145 Y147 Y227 D228	N145-N232 PolarHBondContact ND2-ND2 3.49Å; N145-N232 PolarHBondContact O-ND2 3.34Å; N145-N232 PolarHBondContact OD1-ND2 2.8Å; Y147-N232 PolarHBondContact O-ND2 3.16Å; Y227-N232 WeakPolarHBondContact CA-O 3.43Å; D228-N232 PolarHBondContact N-O 3.02Å; D228-N232 WeakPolarHBondContact OD1-CA 3.49Å; D228-N232 PolarHBondContact OD1-N 3.26Å; D228-N232 VanDerWaalsContact OD1-O 3.04Å
233	R	96.1	Very high	96	Very high	96 Å²	96	46.2 Å²	46.2	36%	0.362	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-88.6	148.1	179.4	-173.1	-179.4	-173.9	-75.8	1.9	109	T225 Y227 S235 D237	T225-R233 PolarHBondContact OG1-NH1 3.2Å; T225-R233 PolarHBondContact OG1-NH2 3.45Å; Y227-R233 HydrophobicContact CD1-CB 3.99Å; Y227-R233 HydrophobicContact CD1-CG 4.22Å; Y227-R233 HydrophobicContact CE1-CB 3.69Å; Y227-R233 HydrophobicContact CE1-CG 3.64Å; R233-S235 PolarHBondContact O-N 3.3Å; R233-D237 IonicContact CZ-OD1 3.71Å; R233-D237 IonicContact CZ-OD2 3.78Å; R233-D237 IonicContact NH1-OD1 3.59Å; R233-D237 PolarHBondContact NH1-OD1 2.85Å; R233-D237 IonicContact NH1-OD2 2.94Å; R233-D237 IonicContact NH2-OD1 2.8Å; R233-D237 PolarHBondContact NH2-OD1 3.27Å; R233-D237 IonicContact NH2-OD2 3.14Å; R233-D237 PolarHBondContact NH2-OD2 2.84Å
234	A	96.8	Very high	95.8	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.033	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-48.2	135	174	0	0	0	0	0	111.9	P149 F151 A226 E236	P149-A234 HydrophobicContact CB-CB 4.09Å; P149-A234 CarbonylContact O-C 3.5Å; P149-A234 VanDerWaalsContact O-CA 3.23Å; P149-A234 WeakPolarHBondContact O-CA 3.48Å; F151-A234 HydrophobicContact CD2-CB 4.48Å; F151-A234 HydrophobicContact CE2-CB 3.97Å; A226-A234 HydrophobicContact CB-CB 4.2Å; A226-A234 PolarHBondContact O-N 3.39Å; A234-E236 VanDerWaalsContact C-N 3.3Å; A234-E236 PolarHBondContact O-N 2.9Å
235	S	95.8	Very high	95.4	Very high	78 Å²	78	50.3 Å²	50.3	55%	0.545	26%	0.255	S	S	.	.	S	Bend	trans	-57.6	-40.6	-177.7	49.5	0	0	0	0	112.7	P149 R233	P149-S235 PolarHBondContact O-N 3.33Å; P149-S235 PolarHBondContact O-OG 3.27Å; P149-S235 VanDerWaalsContact O-OG 3.06Å; R233-S235 PolarHBondContact O-N 3.3Å
236	E	96	Very high	94.9	Very high	151 Å²	151	53.4 Å²	53.4	71%	0.706	28%	0.275	S	S	*	.	S	Bend	trans	-133.6	145.4	169.3	-65.8	-172.5	164.6	0	0	109.8	A234	A234-E236 VanDerWaalsContact C-N 3.3Å; A234-E236 PolarHBondContact O-N 2.9Å
237	D	97.3	Very high	94.2	Very high	56 Å²	56	56.2 Å²	56.2	30%	0.299	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-81.1	142.8	172.4	-68.1	-17	0	0	0	111.1	T223 V224 T225 R233	T223-D237 HydrophobicContact CG2-CB 3.46Å; T223-D237 VanDerWaalsContact CG2-CB 3.46Å; V224-D237 WeakPolarHBondContact O-CA 3.46Å; T225-D237 WeakPolarHBondContact CB-OD1 2.84Å; T225-D237 PolarHBondContact OG1-OD1 2.92Å; R233-D237 IonicContact CZ-OD1 3.71Å; R233-D237 IonicContact CZ-OD2 3.78Å; R233-D237 IonicContact NH1-OD1 3.59Å; R233-D237 PolarHBondContact NH1-OD1 2.85Å; R233-D237 IonicContact NH1-OD2 2.94Å; R233-D237 IonicContact NH2-OD1 2.8Å; R233-D237 PolarHBondContact NH2-OD1 3.27Å; R233-D237 IonicContact NH2-OD2 3.14Å; R233-D237 PolarHBondContact NH2-OD2 2.84Å
238	V	97.9	Very high	93.4	Very high	6 Å²	6	56.5 Å²	56.5	4%	0.036	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	139.1	178.6	72.2	0	0	0	0	112.3	F151 E153 Y156 V172 V224 V240	F151-V238 HydrophobicContact CB-CB 4.08Å; F151-V238 HydrophobicContact CB-CG2 4.41Å; F151-V238 HydrophobicContact CD1-CB 4.1Å; F151-V238 HydrophobicContact CD1-CG1 3.61Å; F151-V238 HydrophobicContact CD2-CB 3.71Å; F151-V238 HydrophobicContact CD2-CG1 3.86Å; F151-V238 HydrophobicContact CE1-CB 4.46Å; F151-V238 HydrophobicContact CE1-CG1 3.6Å; F151-V238 HydrophobicContact CE2-CB 4.11Å; F151-V238 HydrophobicContact CE2-CG1 3.85Å; F151-V238 HydrophobicContact CG-CB 3.69Å; F151-V238 HydrophobicContact CG-CG1 3.73Å; F151-V238 HydrophobicContact CG-CG2 4.47Å; F151-V238 HydrophobicContact CZ-CB 4.46Å; F151-V238 HydrophobicContact CZ-CG1 3.72Å; E153-V238 WeakPolarHBondContact O-CG2 3.26Å; Y156-V238 HydrophobicContact CD2-CG1 4.17Å; Y156-V238 HydrophobicContact CD2-CG2 3.66Å; Y156-V238 HydrophobicContact CE2-CG1 4.18Å; Y156-V238 HydrophobicContact CE2-CG2 3.81Å; V172-V238 HydrophobicContact CG1-CG1 4.5Å; V224-V238 HydrophobicContact CB-CG1 3.98Å; V224-V238 PolarHBondContact N-O 3.25Å; V224-V238 PolarHBondContact O-N 3.49Å; V238-V240 HydrophobicContact CG1-CG2 4.35Å
239	L	98	Very high	92.7	Very high	58 Å²	58	65.2 Å²	65.2	30%	0.304	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.1	171.7	-178.1	61.9	0	0	0	111	T155 Y156 K221 K241	T155-L239 CarbonylContact C-O 3.58Å; T155-L239 WeakPolarHBondContact CA-O 3.26Å; T155-L239 WeakPolarHBondContact CG2-O 3.4Å; Y156-L239 PolarHBondContact N-O 2.96Å; K221-L239 HydrophobicContact CB-CD1 4.18Å; L239-K241 VanDerWaalsContact CD2-CE 3.43Å; L239-K241 HydrophobicContact CG-CG 4.35Å
240	V	98.3	Very high	92.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.1	176.2	-175	0	0	0	0	109	Y156 L170 V172 I206 K221 L222 V224 V238 I242	Y156-V240 WeakPolarHBondContact O-CA 3.27Å; L170-V240 HydrophobicContact CD1-CG1 4.15Å; L170-V240 HydrophobicContact CD2-CG1 3.58Å; L170-V240 HydrophobicContact CG-CG1 4.4Å; V172-V240 HydrophobicContact CG1-CG2 3.96Å; I206-V240 HydrophobicContact CD1-CB 4.49Å; I206-V240 HydrophobicContact CD1-CG1 3.98Å; I206-V240 HydrophobicContact CD1-CG2 4.14Å; K221-V240 WeakPolarHBondContact CA-O 3.5Å; L222-V240 HydrophobicContact CB-CB 4.23Å; L222-V240 PolarHBondContact N-O 2.9Å; L222-V240 PolarHBondContact O-N 3.48Å; V224-V240 HydrophobicContact CB-CG2 4.32Å; V224-V240 HydrophobicContact CG2-CG2 3.66Å; V238-V240 HydrophobicContact CG1-CG2 4.35Å; V240-I242 HydrophobicContact CG1-CG1 4.23Å
241	K	97.9	Very high	92.3	Very high	67 Å²	67	64.4 Å²	64.4	29%	0.291	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.9	179	-59.5	-176.7	-177.5	179.2	0	110.4	T155 Y156 K157 A158 M219 Y220 L239	T155-K241 HydrophobicContact CG2-CG 4.49Å; Y156-K241 PolarHBondContact O-N 3Å; K157-K241 CarbonylContact C-O 3.54Å; K157-K241 VanDerWaalsContact CA-O 3.31Å; K157-K241 WeakPolarHBondContact CA-O 3.16Å; K157-K241 HydrophobicContact CG-CB 4.42Å; A158-K241 PolarHBondContact N-O 2.95Å; M219-K241 HydrophobicContact SD-CB 4.41Å; M219-K241 HydrophobicContact SD-CD 4.37Å; Y220-K241 WeakPolarHBondContact O-CA 3.28Å; L239-K241 VanDerWaalsContact CD2-CE 3.43Å; L239-K241 HydrophobicContact CG-CG 4.35Å
242	I	97.4	Very high	92.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	102.7	178.3	-57.4	174.8	0	0	0	107.8	V160 I169 L170 F198 I206 M219 Y220 L222 V240	V160-I242 HydrophobicContact CG1-CG2 4.3Å; V160-I242 HydrophobicContact CG2-CG2 3.73Å; I169-I242 HydrophobicContact CD1-CD1 4.43Å; I169-I242 HydrophobicContact CG2-CD1 4.19Å; I169-I242 HydrophobicContact CG2-CG1 4.4Å; I169-I242 HydrophobicContact CG2-CG2 4.25Å; L170-I242 HydrophobicContact CD2-CG1 4.35Å; F198-I242 HydrophobicContact CD1-CD1 3.83Å; F198-I242 HydrophobicContact CE1-CD1 3.49Å; F198-I242 VanDerWaalsContact CE1-CD1 3.49Å; F198-I242 HydrophobicContact CE1-CG2 4.33Å; F198-I242 HydrophobicContact CZ-CD1 3.97Å; F198-I242 HydrophobicContact CZ-CG2 4.33Å; I206-I242 HydrophobicContact CG2-CD1 4.14Å; M219-I242 WeakPolarHBondContact CA-O 3.13Å; Y220-I242 PolarHBondContact N-O 2.84Å; Y220-I242 PolarHBondContact O-N 3.4Å; L222-I242 HydrophobicContact CD1-CD1 3.78Å; V240-I242 HydrophobicContact CG1-CG1 4.23Å
243	S	96.6	Very high	92.2	Very high	45 Å²	45	58 Å²	58	32%	0.315	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	137.6	175	-58.9	0	0	0	0	110.4	A158 T159 V160	A158-S243 PolarHBondContact O-N 3.49Å; T159-S243 CarbonylContact C-O 3.45Å; T159-S243 VanDerWaalsContact CA-O 3.27Å; T159-S243 WeakPolarHBondContact CA-O 3.44Å; V160-S243 PolarHBondContact N-O 2.94Å
244	I	94.8	Very high	91.7	Very high	6 Å²	6	55.1 Å²	55.1	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	139.4	174.9	-65.5	160	0	0	0	108.5	V160 E162 L212 Y214 E217 H218 Y220	V160-I244 HydrophobicContact CG2-CG1 3.92Å; V160-I244 CarbonylContact O-C 3.53Å; V160-I244 WeakPolarHBondContact O-CA 3.32Å; E162-I244 HydrophobicContact CB-CG2 3.86Å; L212-I244 HydrophobicContact CB-CD1 3.83Å; L212-I244 HydrophobicContact CB-CG1 4.35Å; L212-I244 HydrophobicContact CD1-CD1 4.14Å; L212-I244 HydrophobicContact CD1-CG1 4.21Å; L212-I244 HydrophobicContact CG-CD1 4.44Å; Y214-I244 HydrophobicContact CD2-CB 4.34Å; Y214-I244 HydrophobicContact CD2-CG2 4.1Å; Y214-I244 VanDerWaalsContact CD2-O 3.26Å; Y214-I244 WeakPolarHBondContact CD2-O 3.25Å; Y214-I244 VanDerWaalsContact CE2-O 3.28Å; Y214-I244 WeakPolarHBondContact CE2-O 3.3Å; E217-I244 VanDerWaalsContact O-CD1 3.26Å; E217-I244 WeakPolarHBondContact O-CD1 3.28Å; H218-I244 PolarHBondContact O-N 2.94Å; Y220-I244 HydrophobicContact CD2-CD1 3.71Å; Y220-I244 HydrophobicContact CE2-CD1 3.5Å; Y220-I244 VanDerWaalsContact CE2-CD1 3.5Å
245	K	89.2	Confident	91.3	Very high	130 Å²	130	56.6 Å²	56.6	57%	0.565	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	143.5	166.2	-77	-174.2	170.9	-169.8	0	109.7	T159 V160 E162	T159-K245 HydrophobicContact CG2-CD 3.83Å; T159-K245 HydrophobicContact CG2-CG 3.74Å; V160-K245 PolarHBondContact O-N 3.47Å; E162-K245 PolarHBondContact N-O 3.15Å
246	P	86.4	Confident	90.9	Very high	65 Å²	65	57.3 Å²	57.3	42%	0.422	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-61.9	159.2	171.9	28.6	-34.7	0	0	0	110.5	E162 Y214 C248	E162-P246 VanDerWaalsContact OE1-CA 3.32Å; E162-P246 WeakPolarHBondContact OE1-CA 3.27Å; Y214-P246 HydrophobicContact CD1-CB 4.13Å; Y214-P246 HydrophobicContact CD1-CG 4.4Å; Y214-P246 HydrophobicContact CE1-CG 4.45Å; Y214-P246 HydrophobicContact CG-CB 4.19Å; P246-C248 PolarHBondContact O-N 3.03Å
247	T	83.6	Confident	90.6	Very high	59 Å²	59	56.8 Å²	56.8	36%	0.362	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-73.7	122	171.5	-58.5	0	0	0	0	108.6	E162 R249	E162-T247 VanDerWaalsContact CG-OG1 3.3Å; E162-T247 WeakPolarHBondContact CG-OG1 3.46Å; E162-T247 PolarHBondContact O-OG1 3.42Å; E162-T247 PolarHBondContact OE1-N 2.94Å; T247-R249 PolarHBondContact O-N 2.93Å
248	C	79.1	Confident	90.5	Very high	66 Å²	66	59.3 Å²	59.3	45%	0.446	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-55.6	129.5	173	-168.7	0	0	0	0	109.7	P246 C279	P246-C248 PolarHBondContact O-N 3.03Å; C248-C279 HydrophobicContact CB-CB 3.77Å; C248-C279 WeakPolarHBondContact CB-SG 3.45Å; C248-C279 VanDerWaalsContact SG-CA 3.51Å; C248-C279 WeakPolarHBondContact SG-CB 3.1Å; C248-C279 CovalentContact SG-SG 2.04Å; C248-C279 PolarHBondContact SG-SG 2.84Å
249	R	79.8	Confident	90.2	Very high	186 Å²	186	59.8 Å²	59.8	70%	0.702	30%	0.302	S	S	*	.			trans	-129	128.1	174.3	-67	-174	-173.8	-171.8	3.5	108.4	T247 S251 C279	T247-R249 PolarHBondContact O-N 2.93Å; R249-S251 PolarHBondContact O-N 2.88Å; R249-S251 PolarHBondContact O-OG 3.18Å; R249-C279 VanDerWaalsContact C-SG 3.5Å; R249-C279 PolarHBondContact N-SG 2.82Å
250	P	84.8	Confident	90.1	Very high	24 Å²	24	61.5 Å²	61.5	16%	0.156	31%	0.308	C	S	.	.			trans	-57.4	125.5	179.3	-30.4	39.6	0	0	0	111.8	E277 C279 V621 V623 P624	P250-E277 WeakPolarHBondContact CA-O 3.15Å; P250-E277 WeakPolarHBondContact CB-O 3.19Å; P250-C279 HydrophobicContact CG-CB 4.24Å; P250-V621 HydrophobicContact CB-CG1 3.5Å; P250-V621 VanDerWaalsContact CB-CG1 3.5Å; P250-V621 HydrophobicContact CG-CG1 3.57Å; P250-V623 HydrophobicContact CB-CG2 4.27Å; P250-P624 VanDerWaalsContact O-CD 3.28Å; P250-P624 WeakPolarHBondContact O-CD 3.41Å
251	S	88.2	Confident	89.8	Confident	25 Å²	25	61.6 Å²	61.6	18%	0.175	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	156.1	-169.7	49.3	0	0	0	0	111	R249 Q253 E277	R249-S251 PolarHBondContact O-N 2.88Å; R249-S251 PolarHBondContact O-OG 3.18Å; S251-Q253 PolarHBondContact O-N 3.4Å; S251-Q253 PolarHBondContact OG-NE2 3.3Å; S251-E277 PolarHBondContact N-O 3.15Å; S251-E277 WeakPolarHBondContact O-CB 3.07Å; S251-E277 PolarHBondContact O-N 3.15Å
252	W	91.1	Very high	89.4	Confident	20 Å²	20	64.5 Å²	64.5	8%	0.076	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	125.7	170.9	-72.6	111	0	0	0	111.2	M274 L276 A288 F583 M587 T610	W252-M274 HydrophobicContact CB-SD 4.43Å; W252-M274 HydrophobicContact CD2-CE 4.31Å; W252-M274 HydrophobicContact CD2-CG 4.25Å; W252-M274 HydrophobicContact CD2-SD 4.08Å; W252-M274 HydrophobicContact CE3-CE 4Å; W252-M274 HydrophobicContact CE3-CG 3.48Å; W252-M274 VanDerWaalsContact CE3-CG 3.48Å; W252-M274 HydrophobicContact CE3-SD 3.87Å; W252-M274 HydrophobicContact CG-SD 4.36Å; W252-M274 HydrophobicContact CH2-CE 4.32Å; W252-M274 HydrophobicContact CZ3-CE 4.01Å; W252-M274 HydrophobicContact CZ3-CG 3.98Å; W252-M274 HydrophobicContact CZ3-SD 4.44Å; W252-L276 HydrophobicContact CD2-CD1 4.26Å; W252-L276 HydrophobicContact CE3-CB 4.17Å; W252-L276 HydrophobicContact CE3-CD1 4.46Å; W252-L276 HydrophobicContact CH2-CB 4.17Å; W252-L276 HydrophobicContact CZ3-CB 3.85Å; W252-A288 HydrophobicContact CZ2-CB 4.42Å; W252-F583 HydrophobicContact CH2-CD1 4.24Å; W252-F583 AromaticContact CH2-CE1 3.59Å; W252-F583 HydrophobicContact CH2-CE1 3.59Å; W252-F583 HydrophobicContact CH2-CZ 4.48Å; W252-F583 AromaticContact CZ2-CE1 3.98Å; W252-F583 HydrophobicContact CZ2-CE1 3.98Å; W252-M587 HydrophobicContact CH2-CE 4.04Å; W252-M587 HydrophobicContact CH2-CG 3.85Å; W252-M587 HydrophobicContact CH2-SD 4.48Å; W252-M587 HydrophobicContact CZ2-CE 4.02Å; W252-M587 HydrophobicContact CZ3-CG 4.45Å; W252-T610 HydrophobicContact CZ2-CG2 4.35Å; W252-T610 PolarHBondContact NE1-OG1 2.6Å
253	Q	90.4	Very high	88.9	Confident	76 Å²	76	66 Å²	66	36%	0.355	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	153.9	172.5	-60.7	-56.7	-43.3	0	0	109.3	S251 F255 M274 H275 E277	S251-Q253 PolarHBondContact O-N 3.4Å; S251-Q253 PolarHBondContact OG-NE2 3.3Å; Q253-F255 PolarHBondContact O-N 2.99Å; Q253-M274 VanDerWaalsContact O-CA 3.25Å; Q253-M274 WeakPolarHBondContact O-CA 3.44Å; Q253-M274 WeakPolarHBondContact O-CG 3.46Å; Q253-H275 WeakPolarHBondContact CB-NE2 3.04Å; Q253-H275 PolarHBondContact N-O 2.71Å; Q253-H275 PolarHBondContact O-N 3.07Å; Q253-E277 HydrophobicContact CG-CB 3.83Å
254	G	86.4	Confident	88.2	Confident	36 Å²	36	67 Å²	67	37%	0.371	35%	0.35	S	S	.	.	S	Bend	trans	73	2.7	-177.9	0	0	0	0	0	115.7	N256 S273	G254-N256 PolarHBondContact O-N 2.88Å; G254-S273 PolarHBondContact O-OG 2.63Å
255	F	88.1	Confident	87.8	Confident	34 Å²	34	70.2 Å²	70.2	15%	0.149	37%	0.37	C	S	.	.			trans	-71.1	119.3	175.5	177.2	-105.4	0	0	0	111.6	Q253 K257 F271 M274 I608 A626 E627	Q253-F255 PolarHBondContact O-N 2.99Å; F255-K257 HydrophobicContact CD1-CG 4.08Å; F255-K257 HydrophobicContact CE1-CG 3.91Å; F255-F271 AromaticContact CD2-CD1 3.84Å; F255-F271 HydrophobicContact CD2-CD1 3.84Å; F255-F271 AromaticContact CD2-CE1 3.91Å; F255-F271 HydrophobicContact CD2-CE1 3.91Å; F255-F271 AromaticContact CE2-CD1 3.95Å; F255-F271 HydrophobicContact CE2-CD1 3.95Å; F255-F271 AromaticContact CE2-CE1 3.52Å; F255-F271 HydrophobicContact CE2-CE1 3.52Å; F255-F271 HydrophobicContact CE2-CZ 4.38Å; F255-M274 HydrophobicContact CB-CG 4.45Å; F255-M274 HydrophobicContact CB-SD 3.94Å; F255-M274 HydrophobicContact CD2-SD 3.72Å; F255-M274 HydrophobicContact CG-SD 4.29Å; F255-I608 HydrophobicContact CD2-CD1 3.92Å; F255-I608 HydrophobicContact CE2-CD1 3.61Å; F255-A626 HydrophobicContact CD1-CB 4.23Å; F255-A626 HydrophobicContact CE1-CB 4.17Å; F255-A626 HydrophobicContact CG-CB 4.42Å; F255-A626 HydrophobicContact CZ-CB 4.32Å; F255-E627 WeakPolarHBondContact CE1-O 3.43Å
256	N	87.6	Confident	87.7	Confident	93 Å²	93	65.1 Å²	65.1	50%	0.497	36%	0.355	S	S	.	.			trans	-85.6	126.2	170.4	-173.2	7	0	0	0	110.1	G254 R258	G254-N256 PolarHBondContact O-N 2.88Å; N256-R258 VanDerWaalsContact CG-O 3.24Å; N256-R258 PolarHBondContact ND2-O 2.83Å; N256-R258 PolarHBondContact OD1-N 3.11Å; N256-R258 PolarHBondContact OD1-O 3.05Å
257	K	90.3	Very high	87.9	Confident	140 Å²	140	64.2 Å²	64.2	61%	0.609	35%	0.35	S	S	*	.	S	Bend	trans	-77.8	-22	-178.5	-65	-164.1	171.7	-162.7	0	114.2	F255 G628 Y629	F255-K257 HydrophobicContact CD1-CG 4.08Å; F255-K257 HydrophobicContact CE1-CG 3.91Å; K257-G628 CarbonylContact O-C 3.55Å; K257-G628 VanDerWaalsContact O-CA 3.22Å; K257-G628 WeakPolarHBondContact O-CA 3.22Å; K257-Y629 PolarHBondContact O-N 2.98Å
258	R	93.8	Very high	88.4	Confident	110 Å²	110	63.4 Å²	63.4	42%	0.415	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	111.8	179.6	171.3	-180	174.9	153.8	-4	108.3	N256 E260 Y629	N256-R258 VanDerWaalsContact CG-O 3.24Å; N256-R258 PolarHBondContact ND2-O 2.83Å; N256-R258 PolarHBondContact OD1-N 3.11Å; N256-R258 PolarHBondContact OD1-O 3.05Å; R258-E260 IonicContact CZ-OE1 2.75Å; R258-E260 IonicContact NE-OE1 3.52Å; R258-E260 PolarHBondContact NE-OE1 2.88Å; R258-E260 IonicContact NH2-OE1 2.7Å; R258-E260 PolarHBondContact NH2-OE1 3.22Å; R258-Y629 HydrophobicContact CB-CE1 4.45Å; R258-Y629 HydrophobicContact CB-CE2 4Å; R258-Y629 HydrophobicContact CG-CE2 3.73Å
259	T	93.3	Very high	89	Confident	16 Å²	16	62.5 Å²	62.5	10%	0.098	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.6	171	-62.1	0	0	0	0	108	L268 L270 Y629 V630 M631	T259-L268 HydrophobicContact CG2-CD2 3.59Å; T259-L268 HydrophobicContact CG2-CG 4.23Å; T259-L270 HydrophobicContact CG2-CD2 4.23Å; T259-Y629 PolarHBondContact N-O 3.32Å; T259-Y629 VanDerWaalsContact N-O 3.07Å; T259-V630 CarbonylContact O-C 3.18Å; T259-V630 VanDerWaalsContact O-CA 3.3Å; T259-V630 WeakPolarHBondContact O-CA 3.42Å; T259-M631 PolarHBondContact O-N 2.91Å
260	E	94.1	Very high	89.6	Confident	94 Å²	94	53.7 Å²	53.7	44%	0.439	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.9	178.8	-68.5	175	-178	0	0	109	R258 L268 M631	R258-E260 IonicContact CZ-OE1 2.75Å; R258-E260 IonicContact NE-OE1 3.52Å; R258-E260 PolarHBondContact NE-OE1 2.88Å; R258-E260 IonicContact NH2-OE1 2.7Å; R258-E260 PolarHBondContact NH2-OE1 3.22Å; E260-L268 WeakPolarHBondContact O-CD2 3.28Å; E260-M631 WeakPolarHBondContact CA-O 3.34Å; E260-M631 HydrophobicContact CG-CB 4.38Å
261	Y	93.1	Very high	89.9	Confident	1 Å²	1	52.7 Å²	52.7	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	114.7	178	-178.8	-93.6	0	0	0	109.7	G266 L268 Y592 N594 M631 V632 L633	Y261-G266 WeakPolarHBondContact CE2-O 3.43Å; Y261-G266 PolarHBondContact OH-N 2.04Å; Y261-G266 PolarHBondContact OH-O 3.19Å; Y261-G266 VanDerWaalsContact OH-O 3.09Å; Y261-L268 HydrophobicContact CD2-CB 3.83Å; Y261-L268 HydrophobicContact CD2-CD2 3.8Å; Y261-L268 HydrophobicContact CD2-CG 4.48Å; Y261-L268 HydrophobicContact CE2-CB 4.13Å; Y261-L268 HydrophobicContact CG-CD2 4.46Å; Y261-Y592 AromaticContact CD1-CE1 3.8Å; Y261-Y592 HydrophobicContact CD1-CE1 3.8Å; Y261-Y592 AromaticContact CD2-CD1 3.47Å; Y261-Y592 HydrophobicContact CD2-CD1 3.47Å; Y261-Y592 VanDerWaalsContact CD2-CD1 3.47Å; Y261-Y592 AromaticContact CD2-CE1 3.51Å; Y261-Y592 HydrophobicContact CD2-CE1 3.51Å; Y261-Y592 HydrophobicContact CE1-CE1 4.14Å; Y261-Y592 AromaticContact CE2-CD1 3.89Å; Y261-Y592 HydrophobicContact CE2-CD1 3.89Å; Y261-Y592 AromaticContact CE2-CE1 3.89Å; Y261-Y592 HydrophobicContact CE2-CE1 3.89Å; Y261-Y592 AromaticContact CG-CD1 3.86Å; Y261-Y592 HydrophobicContact CG-CD1 3.86Å; Y261-Y592 AromaticContact CG-CE1 3.47Å; Y261-Y592 HydrophobicContact CG-CE1 3.47Å; Y261-Y592 VanDerWaalsContact CG-CE1 3.47Å; Y261-N594 HydrophobicContact CE1-CB 3.77Å; Y261-N594 PolarHBondContact OH-O 3.31Å; Y261-M631 PolarHBondContact N-O 2.92Å; Y261-V632 HydrophobicContact CD1-CG1 4.36Å; Y261-L633 PolarHBondContact O-N 2.92Å
262	E	90.1	Very high	90.1	Very high	129 Å²	129	55.7 Å²	55.7	60%	0.603	32%	0.319	S	S	*	.			trans	-82.6	131.4	173	-169.5	-178.1	173.1	0	0	110	G264 T265	E262-G264 PolarHBondContact O-N 2.88Å; E262-T265 PolarHBondContact O-N 3.07Å; E262-T265 PolarHBondContact O-OG1 2.76Å
263	P	86.6	Confident	90	Very high	32 Å²	32	58 Å²	58	21%	0.208	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	128.2	176.5	-31.1	40.3	0	0	0	112.9	P599 P635	P263-P599 HydrophobicContact CB-CG 3.72Å; P263-P599 HydrophobicContact CG-CG 3.71Å; P263-P635 HydrophobicContact CB-CB 3.84Å; P263-P635 HydrophobicContact CG-CB 3.79Å
264	G	81.9	Confident	90.1	Very high	64 Å²	64	54.4 Å²	54.4	66%	0.66	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	-6.3	179.6	0	0	0	0	0	115.8	E262 G266	E262-G264 PolarHBondContact O-N 2.88Å; G264-G266 VanDerWaalsContact C-N 3.26Å; G264-G266 PolarHBondContact O-N 2.81Å
265	T	85.9	Confident	90.3	Very high	74 Å²	74	56.4 Å²	56.4	45%	0.454	32%	0.322	S	S	.	.			trans	-64.4	-26.9	175.6	-49.3	0	0	0	0	113.4	E262	E262-T265 PolarHBondContact O-N 3.07Å; E262-T265 PolarHBondContact O-OG1 2.76Å
266	G	87.2	Confident	90.4	Very high	24 Å²	24	55.3 Å²	55.3	25%	0.247	32%	0.317	C	S	.	.			trans	87.8	-115.9	-179.2	0	0	0	0	0	112.3	Y261 G264 N594	Y261-G266 WeakPolarHBondContact CE2-O 3.43Å; Y261-G266 PolarHBondContact OH-N 2.04Å; Y261-G266 PolarHBondContact OH-O 3.19Å; Y261-G266 VanDerWaalsContact OH-O 3.09Å; G264-G266 VanDerWaalsContact C-N 3.26Å; G264-G266 PolarHBondContact O-N 2.81Å; G266-N594 PolarHBondContact O-N 3.03Å
267	S	91.2	Very high	90.5	Very high	46 Å²	46	54.8 Å²	54.8	32%	0.322	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.7	175.6	-59.2	0	0	0	0	110.5	D551 Q553	S267-D551 PolarHBondContact OG-OD2 3.23Å; S267-Q553 PolarHBondContact OG-NE2 3.38Å
268	L	92.6	Very high	90.2	Very high	41 Å²	41	49.7 Å²	49.7	22%	0.215	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.1	177.4	178	64.4	0	0	0	110.9	T259 E260 Y261 L270 S591 Y592	T259-L268 HydrophobicContact CG2-CD2 3.59Å; T259-L268 HydrophobicContact CG2-CG 4.23Å; E260-L268 WeakPolarHBondContact O-CD2 3.28Å; Y261-L268 HydrophobicContact CD2-CB 3.83Å; Y261-L268 HydrophobicContact CD2-CD2 3.8Å; Y261-L268 HydrophobicContact CD2-CG 4.48Å; Y261-L268 HydrophobicContact CE2-CB 4.13Å; Y261-L268 HydrophobicContact CG-CD2 4.46Å; L268-L270 PolarHBondContact O-N 3.36Å; L268-S591 CarbonylContact O-C 3.58Å; L268-S591 WeakPolarHBondContact O-CA 3.41Å; L268-S591 VanDerWaalsContact O-CB 3.26Å; L268-S591 WeakPolarHBondContact O-CB 3.32Å; L268-Y592 PolarHBondContact N-O 2.91Å; L268-Y592 PolarHBondContact O-N 3.06Å
269	A	92.3	Very high	89.7	Confident	48 Å²	48	45.8 Å²	45.8	40%	0.397	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	122.4	177.5	0	0	0	0	0	111.4
270	L	92.5	Very high	88.9	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	32%	0.319	C	S	.	.	S	Bend	trans	-82.8	-37.5	-175.6	-70.8	176.5	0	0	0	112.9	T259 L268 P272 L550 I590 L606 V630	T259-L270 HydrophobicContact CG2-CD2 4.23Å; L268-L270 PolarHBondContact O-N 3.36Å; L270-P272 VanDerWaalsContact C-CD 3.41Å; L270-L550 HydrophobicContact CD1-CD2 3.78Å; L270-I590 HydrophobicContact CD1-CG2 4.36Å; L270-I590 PolarHBondContact N-O 2.8Å; L270-L606 HydrophobicContact CD1-CD1 3.92Å; L270-L606 HydrophobicContact CD1-CD2 4.16Å; L270-L606 HydrophobicContact CD2-CD1 4Å; L270-V630 HydrophobicContact CD2-CG2 3.67Å
271	F	92.2	Very high	88.1	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.009	31%	0.312	C	S	.	.			trans	-127.7	42.9	-164.9	-46.2	-47.2	0	0	0	114.3	F255 S273 M274 I290 Q588 I590 L606 I608	F255-F271 AromaticContact CD2-CD1 3.84Å; F255-F271 HydrophobicContact CD2-CD1 3.84Å; F255-F271 AromaticContact CD2-CE1 3.91Å; F255-F271 HydrophobicContact CD2-CE1 3.91Å; F255-F271 AromaticContact CE2-CD1 3.95Å; F255-F271 HydrophobicContact CE2-CD1 3.95Å; F255-F271 AromaticContact CE2-CE1 3.52Å; F255-F271 HydrophobicContact CE2-CE1 3.52Å; F255-F271 HydrophobicContact CE2-CZ 4.38Å; F271-S273 PolarHBondContact O-N 3.41Å; F271-M274 HydrophobicContact CB-CB 3.68Å; F271-M274 HydrophobicContact CB-CE 3.73Å; F271-M274 HydrophobicContact CB-CG 4.44Å; F271-M274 HydrophobicContact CB-SD 4.03Å; F271-M274 HydrophobicContact CD1-CE 4.33Å; F271-M274 HydrophobicContact CD1-SD 4.21Å; F271-M274 HydrophobicContact CD2-CE 3.68Å; F271-M274 HydrophobicContact CE2-CE 4.41Å; F271-M274 HydrophobicContact CG-CE 3.65Å; F271-M274 HydrophobicContact CG-SD 4.03Å; F271-M274 WeakPolarHBondContact O-CB 3.5Å; F271-M274 PolarHBondContact O-N 3.11Å; F271-I290 HydrophobicContact CE2-CG2 4.3Å; F271-I290 HydrophobicContact CZ-CG2 4.36Å; F271-Q588 WeakPolarHBondContact O-CA 3.41Å; F271-Q588 WeakPolarHBondContact O-CG 3.42Å; F271-I590 HydrophobicContact CD2-CB 3.95Å; F271-I590 HydrophobicContact CD2-CD1 4.24Å; F271-I590 HydrophobicContact CD2-CG2 4.32Å; F271-I590 HydrophobicContact CE2-CB 4.09Å; F271-I590 HydrophobicContact CE2-CD1 4.23Å; F271-I590 HydrophobicContact CE2-CG2 3.96Å; F271-L606 HydrophobicContact CE1-CD1 4.4Å; F271-L606 HydrophobicContact CZ-CD1 4.39Å; F271-I608 HydrophobicContact CE1-CD1 4.03Å; F271-I608 HydrophobicContact CE2-CD1 4.08Å; F271-I608 HydrophobicContact CZ-CD1 3.76Å; F271-I608 HydrophobicContact CZ-CG1 4.41Å
272	P	90.4	Very high	87.4	Confident	88 Å²	88	54.7 Å²	54.7	57%	0.571	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.9	-163.6	26.2	-37.2	0	0	0	115.9	L270	L270-P272 VanDerWaalsContact C-CD 3.41Å
273	S	90.6	Very high	87	Confident	70 Å²	70	50.2 Å²	50.2	49%	0.49	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	10.2	177.5	56.9	0	0	0	0	113.5	G254 F271 H275	G254-S273 PolarHBondContact O-OG 2.63Å; F271-S273 PolarHBondContact O-N 3.41Å; S273-H275 PolarHBondContact O-ND1 3.26Å
274	M	91.1	Very high	87	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	33%	0.325	C	S	.	.			trans	-75.2	139.3	-172.5	-168.2	167.9	76.4	0	0	112.3	W252 Q253 F255 F271 M587 Q588 I608	W252-M274 HydrophobicContact CB-SD 4.43Å; W252-M274 HydrophobicContact CD2-CE 4.31Å; W252-M274 HydrophobicContact CD2-CG 4.25Å; W252-M274 HydrophobicContact CD2-SD 4.08Å; W252-M274 HydrophobicContact CE3-CE 4Å; W252-M274 HydrophobicContact CE3-CG 3.48Å; W252-M274 VanDerWaalsContact CE3-CG 3.48Å; W252-M274 HydrophobicContact CE3-SD 3.87Å; W252-M274 HydrophobicContact CG-SD 4.36Å; W252-M274 HydrophobicContact CH2-CE 4.32Å; W252-M274 HydrophobicContact CZ3-CE 4.01Å; W252-M274 HydrophobicContact CZ3-CG 3.98Å; W252-M274 HydrophobicContact CZ3-SD 4.44Å; Q253-M274 VanDerWaalsContact O-CA 3.25Å; Q253-M274 WeakPolarHBondContact O-CA 3.44Å; Q253-M274 WeakPolarHBondContact O-CG 3.46Å; F255-M274 HydrophobicContact CB-CG 4.45Å; F255-M274 HydrophobicContact CB-SD 3.94Å; F255-M274 HydrophobicContact CD2-SD 3.72Å; F255-M274 HydrophobicContact CG-SD 4.29Å; F271-M274 HydrophobicContact CB-CB 3.68Å; F271-M274 HydrophobicContact CB-CE 3.73Å; F271-M274 HydrophobicContact CB-CG 4.44Å; F271-M274 HydrophobicContact CB-SD 4.03Å; F271-M274 HydrophobicContact CD1-CE 4.33Å; F271-M274 HydrophobicContact CD1-SD 4.21Å; F271-M274 HydrophobicContact CD2-CE 3.68Å; F271-M274 HydrophobicContact CE2-CE 4.41Å; F271-M274 HydrophobicContact CG-CE 3.65Å; F271-M274 HydrophobicContact CG-SD 4.03Å; F271-M274 WeakPolarHBondContact O-CB 3.5Å; F271-M274 PolarHBondContact O-N 3.11Å; M274-M587 HydrophobicContact CE-CB 3.9Å; M274-M587 HydrophobicContact CE-CE 3.36Å; M274-M587 HydrophobicContact CE-CG 4.46Å; M274-Q588 WeakPolarHBondContact O-CG 3.42Å; M274-Q588 PolarHBondContact O-NE2 2.79Å; M274-I608 HydrophobicContact CE-CD1 3.99Å; M274-I608 HydrophobicContact SD-CD1 4.08Å
275	H	92.5	Very high	87.3	Confident	78 Å²	78	49.1 Å²	49.1	36%	0.361	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	152.3	178.2	55.6	-76.7	0	0	0	111	Q253 S273 D584	Q253-H275 WeakPolarHBondContact CB-NE2 3.04Å; Q253-H275 PolarHBondContact N-O 2.71Å; Q253-H275 PolarHBondContact O-N 3.07Å; S273-H275 PolarHBondContact O-ND1 3.26Å; H275-D584 WeakPolarHBondContact CA-OD1 3.49Å
276	L	90.1	Very high	87.6	Confident	10 Å²	10	45.7 Å²	45.7	5%	0.052	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	112.4	-179.7	-174.8	62.6	0	0	0	111.6	W252 T278 V286 D584 V612 V623	W252-L276 HydrophobicContact CD2-CD1 4.26Å; W252-L276 HydrophobicContact CE3-CB 4.17Å; W252-L276 HydrophobicContact CE3-CD1 4.46Å; W252-L276 HydrophobicContact CH2-CB 4.17Å; W252-L276 HydrophobicContact CZ3-CB 3.85Å; L276-T278 HydrophobicContact CG-CG2 4.27Å; L276-T278 PolarHBondContact O-N 2.95Å; L276-V286 HydrophobicContact CD2-CG1 3.96Å; L276-V286 HydrophobicContact CD2-CG2 4.12Å; L276-D584 PolarHBondContact N-OD1 3.34Å; L276-V612 HydrophobicContact CD2-CG2 4.48Å; L276-V623 HydrophobicContact CD1-CG1 4.17Å; L276-V623 HydrophobicContact CD1-CG2 4.32Å
277	E	89.2	Confident	87.8	Confident	83 Å²	83	49.6 Å²	49.6	39%	0.388	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	124.3	170.5	-179.3	79.7	-126.9	0	0	109.3	P250 S251 Q253	P250-E277 WeakPolarHBondContact CA-O 3.15Å; P250-E277 WeakPolarHBondContact CB-O 3.19Å; S251-E277 PolarHBondContact N-O 3.15Å; S251-E277 WeakPolarHBondContact O-CB 3.07Å; S251-E277 PolarHBondContact O-N 3.15Å; Q253-E277 HydrophobicContact CG-CB 3.83Å
278	T	83.2	Confident	88	Confident	33 Å²	33	47.4 Å²	47.4	20%	0.202	27%	0.269	C	S	.	.			trans	-111.6	-7.3	-172.3	62.7	0	0	0	0	114.4	L276 D280 V281 I283 I580	L276-T278 HydrophobicContact CG-CG2 4.27Å; L276-T278 PolarHBondContact O-N 2.95Å; T278-D280 VanDerWaalsContact C-N 3.32Å; T278-D280 PolarHBondContact O-N 3.03Å; T278-V281 WeakPolarHBondContact O-CB 3.48Å; T278-V281 WeakPolarHBondContact O-CG2 3.39Å; T278-V281 PolarHBondContact O-N 3.33Å; T278-V281 VanDerWaalsContact O-N 3.14Å; T278-I283 HydrophobicContact CG2-CD1 3.46Å; T278-I283 VanDerWaalsContact CG2-CD1 3.46Å; T278-I580 HydrophobicContact CG2-CD1 4.24Å
279	C	82.8	Confident	88.1	Confident	27 Å²	27	46.8 Å²	46.8	18%	0.182	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	41.3	176.2	-54.7	0	0	0	0	114.9	C248 R249 P250 V281	C248-C279 HydrophobicContact CB-CB 3.77Å; C248-C279 WeakPolarHBondContact CB-SG 3.45Å; C248-C279 VanDerWaalsContact SG-CA 3.51Å; C248-C279 WeakPolarHBondContact SG-CB 3.1Å; C248-C279 CovalentContact SG-SG 2.04Å; C248-C279 PolarHBondContact SG-SG 2.84Å; R249-C279 VanDerWaalsContact C-SG 3.5Å; R249-C279 PolarHBondContact N-SG 2.82Å; P250-C279 HydrophobicContact CG-CB 4.24Å; C279-V281 PolarHBondContact O-N 3.48Å
280	D	77.4	Confident	88.2	Confident	166 Å²	166	44.5 Å²	44.5	89%	0.888	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	18.3	-178.1	-54.8	-48.9	0	0	0	115.2	T278	T278-D280 VanDerWaalsContact C-N 3.32Å; T278-D280 PolarHBondContact O-N 3.03Å
281	V	76.6	Confident	88.2	Confident	47 Å²	47	48.5 Å²	48.5	29%	0.285	27%	0.268	S	S	.	.			trans	-79.1	130.1	174.4	-178	0	0	0	0	110.1	T278 C279 I283 V621	T278-V281 WeakPolarHBondContact O-CB 3.48Å; T278-V281 WeakPolarHBondContact O-CG2 3.39Å; T278-V281 PolarHBondContact O-N 3.33Å; T278-V281 VanDerWaalsContact O-N 3.14Å; C279-V281 PolarHBondContact O-N 3.48Å; V281-I283 PolarHBondContact O-N 3.21Å; V281-V621 HydrophobicContact CB-CG2 4.44Å; V281-V621 HydrophobicContact CG1-CG2 3.91Å; V281-V621 HydrophobicContact CG2-CG2 4.27Å
282	P	79.6	Confident	88.1	Confident	85 Å²	85	48.7 Å²	48.7	55%	0.552	27%	0.269	S	S	*	.			trans	-75	109.4	176.7	30.2	-34.3	0	0	0	111.2	L615	P282-L615 HydrophobicContact CB-CD1 3.87Å; P282-L615 HydrophobicContact CG-CD1 4.04Å
283	I	82.1	Confident	87.9	Confident	36 Å²	36	49.3 Å²	49.3	19%	0.185	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	146	-179.6	-66.2	171.6	0	0	0	109.7	T278 V281 V286 I580 V612	T278-I283 HydrophobicContact CG2-CD1 3.46Å; T278-I283 VanDerWaalsContact CG2-CD1 3.46Å; V281-I283 PolarHBondContact O-N 3.21Å; I283-V286 HydrophobicContact CG2-CG2 3.78Å; I283-I580 HydrophobicContact CB-CD1 4.33Å; I283-I580 HydrophobicContact CD1-CD1 4.32Å; I283-V612 HydrophobicContact CB-CG1 4.23Å; I283-V612 HydrophobicContact CD1-CG1 3.6Å; I283-V612 HydrophobicContact CG1-CG1 3.54Å; I283-V612 HydrophobicContact CG2-CG1 3.74Å
284	T	86.1	Confident	87.2	Confident	58 Å²	58	46.1 Å²	46.1	36%	0.356	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-37.1	174.3	49	0	0	0	0	113	K613 C614 L615	T284-K613 PolarHBondContact N-O 2.95Å; T284-K613 VanDerWaalsContact OG1-C 3.24Å; T284-K613 PolarHBondContact OG1-O 2.69Å; T284-K613 VanDerWaalsContact OG1-O 3.12Å; T284-C614 PolarHBondContact OG1-N 2.84Å; T284-C614 PolarHBondContact OG1-O 3.3Å; T284-L615 HydrophobicContact CG2-CG 3.98Å
285	S	88.4	Confident	86.1	Confident	14 Å²	14	51.2 Å²	51.2	10%	0.098	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	157.2	169.5	72.3	0	0	0	0	112.5	D578 K613	S285-D578 WeakPolarHBondContact CB-OD1 3.32Å; S285-K613 PolarHBondContact O-N 2.78Å
286	V	91.1	Very high	84.5	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.1	177.7	-170.4	0	0	0	0	109.4	L276 I283 E576 G577 I580 F583 T610 V612	L276-V286 HydrophobicContact CD2-CG1 3.96Å; L276-V286 HydrophobicContact CD2-CG2 4.12Å; I283-V286 HydrophobicContact CG2-CG2 3.78Å; V286-E576 WeakPolarHBondContact O-CA 3.3Å; V286-G577 PolarHBondContact N-O 3.14Å; V286-G577 PolarHBondContact O-N 3.3Å; V286-I580 HydrophobicContact CG2-CG1 4.49Å; V286-F583 HydrophobicContact CB-CD1 4.24Å; V286-F583 HydrophobicContact CB-CD2 4.44Å; V286-F583 HydrophobicContact CB-CE1 3.96Å; V286-F583 HydrophobicContact CB-CE2 4.2Å; V286-F583 HydrophobicContact CB-CG 4.47Å; V286-F583 HydrophobicContact CB-CZ 3.96Å; V286-F583 HydrophobicContact CG1-CD1 4.12Å; V286-F583 HydrophobicContact CG1-CE1 3.39Å; V286-F583 HydrophobicContact CG1-CE2 4.14Å; V286-F583 HydrophobicContact CG1-CZ 3.42Å; V286-F583 VanDerWaalsContact CG1-CZ 3.42Å; V286-T610 HydrophobicContact CG1-CG2 4.07Å; V286-V612 HydrophobicContact CG1-CG2 4.33Å
287	R	92.9	Very high	82.8	Confident	106 Å²	106	51.2 Å²	51.2	40%	0.4	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	119.3	171.6	177.6	-170.2	-72.5	-136.1	-3.2	109.6	T574 V575 E576 T611	R287-T574 HydrophobicContact CG-CG2 4.03Å; R287-V575 CarbonylContact C-O 3.59Å; R287-V575 VanDerWaalsContact CA-O 3.29Å; R287-V575 WeakPolarHBondContact CA-O 3.3Å; R287-E576 HydrophobicContact CB-CB 4.39Å; R287-E576 HydrophobicContact CB-CG 4.34Å; R287-E576 HydrophobicContact CG-CB 4.37Å; R287-E576 IonicContact CZ-OE1 3.56Å; R287-E576 VanDerWaalsContact CZ-OE1 3.26Å; R287-E576 IonicContact CZ-OE2 2.89Å; R287-E576 IonicContact NE-OE1 3.55Å; R287-E576 PolarHBondContact NE-OE1 2.86Å; R287-E576 IonicContact NE-OE2 2.66Å; R287-E576 IonicContact NH2-OE1 3.74Å; R287-E576 PolarHBondContact NH2-OE1 3.21Å; R287-E576 IonicContact NH2-OE2 3.53Å; R287-E576 PolarHBondContact NH2-OE2 2.91Å; R287-T611 PolarHBondContact N-O 3.07Å; R287-T611 PolarHBondContact O-N 2.67Å; R287-T611 PolarHBondContact O-OG1 3.17Å; R287-T611 VanDerWaalsContact O-OG1 3.09Å
288	A	93.7	Very high	81.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.5	171	0	0	0	0	0	110.8	W252 I290 T574 V575 F583 M587 I608 S609	W252-A288 HydrophobicContact CZ2-CB 4.42Å; A288-I290 HydrophobicContact CB-CD1 4.43Å; A288-T574 WeakPolarHBondContact O-CA 3.47Å; A288-V575 PolarHBondContact N-O 2.81Å; A288-V575 PolarHBondContact O-N 2.87Å; A288-F583 HydrophobicContact CB-CZ 3.76Å; A288-M587 HydrophobicContact CB-CE 4.28Å; A288-M587 HydrophobicContact CB-SD 4.31Å; A288-I608 HydrophobicContact CB-CG2 4.42Å; A288-S609 CarbonylContact C-O 3.58Å; A288-S609 WeakPolarHBondContact CA-O 3.35Å
289	S	94.8	Very high	80	Confident	28 Å²	28	47.4 Å²	47.4	20%	0.196	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.2	167.4	-170	0	0	0	0	108.2	L573 I608 S609	S289-L573 CarbonylContact C-O 3.52Å; S289-L573 WeakPolarHBondContact CA-O 3.42Å; S289-I608 CarbonylContact O-C 3.55Å; S289-I608 WeakPolarHBondContact O-CA 3.46Å; S289-S609 PolarHBondContact N-O 3.18Å; S289-S609 PolarHBondContact O-N 2.93Å
290	I	94.4	Very high	79.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.7	177.5	-53.6	81.3	0	0	0	106.8	F271 A288 L550 S572 L573 V575 M587 I590 L606 R607 I608	F271-I290 HydrophobicContact CE2-CG2 4.3Å; F271-I290 HydrophobicContact CZ-CG2 4.36Å; A288-I290 HydrophobicContact CB-CD1 4.43Å; I290-L550 HydrophobicContact CB-CD1 4.21Å; I290-L550 HydrophobicContact CG2-CD1 3.86Å; I290-S572 CarbonylContact O-C 3.59Å; I290-S572 WeakPolarHBondContact O-CA 3.19Å; I290-S572 WeakPolarHBondContact O-CB 3.47Å; I290-L573 HydrophobicContact CB-CB 4.49Å; I290-L573 HydrophobicContact CD1-CD2 4.31Å; I290-L573 HydrophobicContact CD1-CG 4.5Å; I290-L573 PolarHBondContact N-O 2.85Å; I290-L573 PolarHBondContact O-N 3.47Å; I290-V575 HydrophobicContact CD1-CG2 4.06Å; I290-M587 HydrophobicContact CD1-CE 3.91Å; I290-M587 HydrophobicContact CD1-SD 4.1Å; I290-M587 HydrophobicContact CG1-CE 4.05Å; I290-I590 HydrophobicContact CD1-CD1 3.72Å; I290-I590 HydrophobicContact CG1-CD1 3.96Å; I290-L606 HydrophobicContact CG2-CD2 4.33Å; I290-R607 CarbonylContact C-O 3.58Å; I290-R607 WeakPolarHBondContact CA-O 3.38Å; I290-I608 HydrophobicContact CG1-CG1 4.31Å; I290-I608 HydrophobicContact CG1-CG2 4.43Å; I290-I608 HydrophobicContact CG2-CG1 4.35Å
291	E	92.8	Very high	78.6	Confident	85 Å²	85	39.7 Å²	39.7	40%	0.397	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129	179.5	-68.3	165.2	-171.7	0	0	109	L606 R607	E291-L606 WeakPolarHBondContact O-CA 3.33Å; E291-R607 HydrophobicContact CB-CB 4.43Å; E291-R607 PolarHBondContact N-O 2.87Å; E291-R607 PolarHBondContact O-N 2.87Å
292	L	90.9	Very high	77.8	Confident	7 Å²	7	38 Å²	38	4%	0.037	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.6	176.2	177.6	75	0	0	0	108.7	T294 L550 S571 Y592 R604 H605 L606 V630	L292-T294 HydrophobicContact CD2-CG2 3.43Å; L292-T294 VanDerWaalsContact CD2-CG2 3.43Å; L292-T294 HydrophobicContact CG-CG2 3.62Å; L292-T294 PolarHBondContact O-N 2.85Å; L292-L550 HydrophobicContact CB-CD1 4.21Å; L292-L550 HydrophobicContact CB-CD2 4.15Å; L292-L550 HydrophobicContact CB-CG 4.03Å; L292-L550 HydrophobicContact CD2-CD2 4.16Å; L292-L550 HydrophobicContact CD2-CG 4.2Å; L292-S571 WeakPolarHBondContact CB-O 3.25Å; L292-S571 PolarHBondContact N-O 3.05Å; L292-Y592 HydrophobicContact CD1-CD2 4.15Å; L292-Y592 HydrophobicContact CD1-CE2 4.48Å; L292-Y592 HydrophobicContact CD2-CD2 3.8Å; L292-Y592 HydrophobicContact CD2-CE2 4.07Å; L292-R604 HydrophobicContact CD1-CB 3.71Å; L292-H605 WeakPolarHBondContact CA-O 3.38Å; L292-L606 HydrophobicContact CB-CD2 4.05Å; L292-L606 HydrophobicContact CD1-CD2 3.57Å; L292-L606 HydrophobicContact CD1-CG 3.95Å; L292-L606 HydrophobicContact CG-CD2 4.42Å; L292-V630 HydrophobicContact CD1-CG2 4.42Å
293	E	86.2	Confident	77.2	Confident	101 Å²	101	34.9 Å²	34.9	47%	0.472	18%	0.184	S	C	.	.			trans	-83.9	99.7	177.5	-169.5	172.5	-159.3	0	0	110.6	H605	E293-H605 HydrophobicContact CB-CB 4.08Å; E293-H605 PolarHBondContact N-O 3.02Å; E293-H605 WeakPolarHBondContact OE2-CB 3.29Å; E293-H605 IonicContact OE2-CD2 2.69Å; E293-H605 PolarHBondContact OE2-CD2 2.93Å; E293-H605 IonicContact OE2-CG 2.68Å
294	T	75.9	Confident	76.2	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.012	18%	0.181	C	C	.	.			trans	-108.2	19.2	-179.5	59	0	0	0	0	113.7	L292 H296 E548	L292-T294 HydrophobicContact CD2-CG2 3.43Å; L292-T294 VanDerWaalsContact CD2-CG2 3.43Å; L292-T294 HydrophobicContact CG-CG2 3.62Å; L292-T294 PolarHBondContact O-N 2.85Å; T294-H296 VanDerWaalsContact C-NE2 3.32Å; T294-H296 WeakPolarHBondContact CA-NE2 3.47Å; T294-H296 PolarHBondContact O-CD2 2.8Å; T294-H296 PolarHBondContact O-N 2.95Å; T294-H296 PolarHBondContact O-NE2 3.03Å; T294-E548 HydrophobicContact CG2-CG 4.31Å
295	N	68.2	Low	75.3	Confident	108 Å²	108	32.6 Å²	32.6	58%	0.578	17%	0.17	S	C	*	.	B	Isolated β-bridge	trans	-84.8	99.7	-177.9	-68.4	-31	0	0	0	110.3
296	H	57.5	Low	74.4	Confident	46 Å²	46	33.7 Å²	33.7	21%	0.213	17%	0.173	C	C	.	.			trans	-92.4	-61.5	-173.1	-66.7	-49.6	0	0	0	114.6	T294 E548 R604	T294-H296 VanDerWaalsContact C-NE2 3.32Å; T294-H296 WeakPolarHBondContact CA-NE2 3.47Å; T294-H296 PolarHBondContact O-CD2 2.8Å; T294-H296 PolarHBondContact O-N 2.95Å; T294-H296 PolarHBondContact O-NE2 3.03Å; H296-E548 IonicContact NE2-OE1 3.07Å; H296-R604 WeakPolarHBondContact CE1-CD 3.39Å; H296-R604 PolarHBondContact CE1-NE 3.26Å; H296-R604 PolarHBondContact CE1-NH1 3.17Å; H296-R604 PolarHBondContact NE2-NE 3.01Å
297	I	54.3	Low	73.5	Confident	41 Å²	41	34.5 Å²	34.5	21%	0.21	18%	0.179	C	C	.	.	S	Bend	trans	-135.2	113.1	163.6	-62.7	90.4	0	0	0	107.2	K299 D304	I297-K299 PolarHBondContact O-N 3.38Å; I297-D304 PolarHBondContact N-OD2 2.97Å
298	G	55.3	Low	72.8	Confident	23 Å²	23	29.9 Å²	29.9	24%	0.237	16%	0.161	C	C	.	.	S	Bend	trans	41.2	31.5	155.2	0	0	0	0	0	119.3	W445	G298-W445 WeakPolarHBondContact O-CZ2 3.33Å; G298-W445 PolarHBondContact O-NE1 3.27Å
299	K	59.2	Low	71.9	Confident	14 Å²	14	32.5 Å²	32.5	6%	0.061	17%	0.173	C	C	.	.	S	Bend	trans	-150.3	-1.9	175.7	-62.3	-166.5	-150.9	108.7	0	113.7	I297 R303 D304 D347 V349	I297-K299 PolarHBondContact O-N 3.38Å; K299-R303 HydrophobicContact CB-CB 3.73Å; K299-R303 HydrophobicContact CB-CG 4.12Å; K299-R303 HydrophobicContact CD-CB 4Å; K299-R303 WeakPolarHBondContact O-CD 3.32Å; K299-D304 IonicContact NZ-OD1 2.74Å; K299-D304 PolarHBondContact NZ-OD1 2.03Å; K299-D347 IonicContact NZ-OD1 2.88Å; K299-D347 PolarHBondContact NZ-OD1 3.3Å; K299-V349 HydrophobicContact CD-CG2 4.31Å; K299-V349 VanDerWaalsContact CE-CG2 3.41Å; K299-V349 HydrophobicContact CG-CG2 4.06Å
300	G	63.8	Low	71.2	Confident	16 Å²	16	31.6 Å²	31.6	17%	0.165	17%	0.166	C	C	.	.	S	Bend	trans	90	-145.2	-173	0	0	0	0	0	112.6	D302	G300-D302 PolarHBondContact O-N 2.86Å; G300-D302 VanDerWaalsContact O-N 3.12Å
301	C	66.2	Low	70.4	Confident	15 Å²	15	33 Å²	33	10%	0.101	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-65.2	104.6	-174.6	59.6	0	0	0	0	113.2	R303 C546	C301-R303 VanDerWaalsContact C-N 3.29Å; C301-R303 VanDerWaalsContact O-CG 3.27Å; C301-R303 WeakPolarHBondContact O-CG 3.19Å; C301-R303 PolarHBondContact O-N 3.29Å; C301-R303 VanDerWaalsContact O-N 3.07Å; C301-C546 HydrophobicContact CB-CB 3.56Å; C301-C546 WeakPolarHBondContact CB-SG 3.49Å; C301-C546 VanDerWaalsContact SG-CA 3.59Å; C301-C546 WeakPolarHBondContact SG-CB 3.15Å; C301-C546 CovalentContact SG-SG 2.01Å; C301-C546 PolarHBondContact SG-SG 3Å
302	D	61.5	Low	69.9	Low	11 Å²	11	29.1 Å²	29.1	6%	0.059	16%	0.156	C	C	.	.	S	Bend	trans	62.7	22.1	157.9	-168.6	55.6	0	0	0	117.7	G300 D304 T305 E548 R596	G300-D302 PolarHBondContact O-N 2.86Å; G300-D302 VanDerWaalsContact O-N 3.12Å; D302-D304 PolarHBondContact O-N 3.08Å; D302-T305 PolarHBondContact O-OG1 3.31Å; D302-E548 HydrophobicContact CB-CB 4.36Å; D302-R596 WeakPolarHBondContact OD1-CD 3.35Å; D302-R596 IonicContact OD1-CZ 3.7Å; D302-R596 IonicContact OD1-NE 3.63Å; D302-R596 PolarHBondContact OD1-NE 2.87Å; D302-R596 IonicContact OD1-NH1 3.18Å; D302-R596 PolarHBondContact OD1-NH1 3.03Å; D302-R596 IonicContact OD1-NH2 3.46Å; D302-R596 WeakPolarHBondContact OD2-CD 3.12Å; D302-R596 VanDerWaalsContact OD2-CG 3.3Å; D302-R596 WeakPolarHBondContact OD2-CG 3.2Å; D302-R596 IonicContact OD2-CZ 2.75Å; D302-R596 IonicContact OD2-NE 3.79Å; D302-R596 PolarHBondContact OD2-NE 3.18Å
303	R	65.8	Low	69.4	Low	20 Å²	20	31.7 Å²	31.7	8%	0.075	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-80	-0.1	-169.8	-56	-159.7	63	80.2	4.9	115.3	K299 C301 T305 E308 L311 W378 L543	K299-R303 HydrophobicContact CB-CB 3.73Å; K299-R303 HydrophobicContact CB-CG 4.12Å; K299-R303 HydrophobicContact CD-CB 4Å; K299-R303 WeakPolarHBondContact O-CD 3.32Å; C301-R303 VanDerWaalsContact C-N 3.29Å; C301-R303 VanDerWaalsContact O-CG 3.27Å; C301-R303 WeakPolarHBondContact O-CG 3.19Å; C301-R303 PolarHBondContact O-N 3.29Å; C301-R303 VanDerWaalsContact O-N 3.07Å; R303-T305 VanDerWaalsContact C-N 3.27Å; R303-T305 PolarHBondContact O-N 2.93Å; R303-E308 IonicContact CZ-OE1 2.74Å; R303-E308 IonicContact NE-OE1 2.68Å; R303-E308 PolarHBondContact NE-OE1 2.96Å; R303-E308 IonicContact NH2-OE1 3.03Å; R303-E308 PolarHBondContact NH2-OE1 2.87Å; R303-E308 IonicContact NH2-OE2 2.68Å; R303-L311 VanDerWaalsContact NH2-CD2 3.34Å; R303-W378 VanDerWaalsContact CZ-CH2 3.42Å; R303-W378 VanDerWaalsContact NH1-CZ2 3.33Å; R303-L543 VanDerWaalsContact CZ-O 3.23Å; R303-L543 PolarHBondContact NH1-O 3.21Å; R303-L543 PolarHBondContact NH2-O 2.9Å
304	D	62	Low	69.1	Low	24 Å²	24	30.5 Å²	30.5	13%	0.128	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-92.7	15.3	-166.7	-45.6	-40.4	0	0	0	112.6	I297 K299 D302	I297-D304 PolarHBondContact N-OD2 2.97Å; K299-D304 IonicContact NZ-OD1 2.74Å; K299-D304 PolarHBondContact NZ-OD1 2.03Å; D302-D304 PolarHBondContact O-N 3.08Å
305	T	65.7	Low	69.5	Low	21 Å²	21	31.4 Å²	31.4	13%	0.129	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-87.9	-34.5	-171	-51.1	0	0	0	0	114	D302 R303 R596 L788	D302-T305 PolarHBondContact O-OG1 3.31Å; R303-T305 VanDerWaalsContact C-N 3.27Å; R303-T305 PolarHBondContact O-N 2.93Å; T305-R596 PolarHBondContact OG1-NE 2.82Å; T305-R596 PolarHBondContact OG1-NH2 3.01Å; T305-L788 HydrophobicContact CG2-CD1 4.35Å; T305-L788 HydrophobicContact CG2-CD2 3.83Å; T305-L788 CarbonylContact O-C 3.59Å; T305-L788 WeakPolarHBondContact O-CA 3.23Å
306	Y	70.9	Confident	70	Confident	38 Å²	38	29 Å²	29	15%	0.149	17%	0.17	C	C	.	.	S	Bend	trans	-147.9	151.6	-174.6	-72.9	-74.3	0	0	0	109.4	L314 V753 L788	Y306-L314 HydrophobicContact CD2-CD1 3.83Å; Y306-L314 HydrophobicContact CE2-CD1 3.83Å; Y306-L314 HydrophobicContact CG-CD1 4.21Å; Y306-V753 HydrophobicContact CD1-CG2 3.62Å; Y306-V753 HydrophobicContact CE1-CG1 4.19Å; Y306-V753 HydrophobicContact CE1-CG2 3.73Å; Y306-L788 HydrophobicContact CD1-CD2 4.45Å; Y306-L788 HydrophobicContact CE1-CD2 3.79Å; Y306-L788 HydrophobicContact CE2-CD2 3.95Å; Y306-L788 VanDerWaalsContact CZ-CD2 3.48Å
307	S	72.6	Confident	71	Confident	19 Å²	19	27.7 Å²	27.7	13%	0.133	17%	0.167	C	C	.	.			trans	-59	146.2	169.2	55.5	0	0	0	0	111.4	K309 S310 L311	S307-K309 PolarHBondContact O-N 3.21Å; S307-S310 CarbonylContact O-C 3.57Å; S307-S310 WeakPolarHBondContact O-CA 3.28Å; S307-S310 VanDerWaalsContact O-CB 3.28Å; S307-S310 WeakPolarHBondContact O-CB 3.43Å; S307-S310 PolarHBondContact O-N 3Å; S307-S310 WeakPolarHBondContact OG-CB 3.34Å; S307-S310 PolarHBondContact OG-OG 2.92Å; S307-L311 PolarHBondContact O-N 3.44Å
308	E	76.2	Confident	71.6	Confident	8 Å²	8	27.3 Å²	27.3	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-59.9	-36.8	-175.2	-78.9	-80.3	149.1	0	0	111.5	R303 S310 L311 H312 W378 I528	R303-E308 IonicContact CZ-OE1 2.74Å; R303-E308 IonicContact NE-OE1 2.68Å; R303-E308 PolarHBondContact NE-OE1 2.96Å; R303-E308 IonicContact NH2-OE1 3.03Å; R303-E308 PolarHBondContact NH2-OE1 2.87Å; R303-E308 IonicContact NH2-OE2 2.68Å; E308-S310 VanDerWaalsContact C-N 3.26Å; E308-S310 PolarHBondContact O-N 3.49Å; E308-L311 PolarHBondContact O-N 3.07Å; E308-H312 PolarHBondContact O-CD2 2.8Å; E308-H312 VanDerWaalsContact O-CD2 3.3Å; E308-H312 PolarHBondContact O-N 2.85Å; E308-W378 VanDerWaalsContact CD-NE1 3.3Å; E308-W378 PolarHBondContact OE1-NE1 2.87Å; E308-W378 VanDerWaalsContact OE1-NE1 3.17Å; E308-W378 PolarHBondContact OE2-NE1 2.86Å; E308-W378 VanDerWaalsContact OE2-NE1 3.07Å; E308-I528 HydrophobicContact CB-CD1 4.27Å
309	K	76.6	Confident	72.2	Confident	55 Å²	55	31.1 Å²	31.1	24%	0.239	19%	0.191	C	C	.	.	H	α-helix	trans	-56.7	-38.2	171.1	-176.5	176.1	-179.4	179	0	113	S307 K313 E323 E740	S307-K309 PolarHBondContact O-N 3.21Å; K309-K313 PolarHBondContact O-N 3.09Å; K309-E323 WeakPolarHBondContact CB-OE2 3.34Å; K309-E740 WeakPolarHBondContact CE-OE1 3.25Å; K309-E740 IonicContact NZ-OE1 3.81Å; K309-E740 PolarHBondContact NZ-OE1 3.12Å; K309-E740 IonicContact NZ-OE2 2.7Å; K309-E740 PolarHBondContact NZ-OE2 2.86Å
310	S	78.5	Confident	72.8	Confident	9 Å²	9	33 Å²	33	6%	0.063	22%	0.215	C	C	.	.	H	α-helix	trans	-76	-37.8	177.4	-61.4	0	0	0	0	112.4	S307 E308 K313 L314 V753	S307-S310 CarbonylContact O-C 3.57Å; S307-S310 WeakPolarHBondContact O-CA 3.28Å; S307-S310 VanDerWaalsContact O-CB 3.28Å; S307-S310 WeakPolarHBondContact O-CB 3.43Å; S307-S310 PolarHBondContact O-N 3Å; S307-S310 WeakPolarHBondContact OG-CB 3.34Å; S307-S310 PolarHBondContact OG-OG 2.92Å; E308-S310 VanDerWaalsContact C-N 3.26Å; E308-S310 PolarHBondContact O-N 3.49Å; S310-K313 WeakPolarHBondContact O-CB 3.47Å; S310-K313 PolarHBondContact O-N 3.2Å; S310-K313 VanDerWaalsContact O-N 3.17Å; S310-L314 PolarHBondContact O-N 2.98Å; S310-V753 VanDerWaalsContact CB-CG2 3.47Å
311	L	79.1	Confident	73.5	Confident	29 Å²	29	33.3 Å²	33.3	15%	0.152	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-42.5	175.7	-164.2	71	0	0	0	111.3	R303 S307 E308 K313 L314 C315 L543	R303-L311 VanDerWaalsContact NH2-CD2 3.34Å; S307-L311 PolarHBondContact O-N 3.44Å; E308-L311 PolarHBondContact O-N 3.07Å; L311-K313 VanDerWaalsContact C-N 3.31Å; L311-K313 PolarHBondContact O-N 3.1Å; L311-L314 PolarHBondContact O-N 3.33Å; L311-C315 WeakPolarHBondContact O-CB 3.01Å; L311-C315 PolarHBondContact O-N 3.3Å; L311-L543 HydrophobicContact CB-CD2 4.15Å; L311-L543 HydrophobicContact CD2-CD2 3.84Å; L311-L543 HydrophobicContact CG-CD2 3.86Å
312	H	80.9	Confident	74.3	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.019	22%	0.219	C	C	.	.	H	α-helix	trans	-54.2	-44.8	170.1	-91.2	-102.7	0	0	0	111.7	E308 C315 G316 A317 E535 L543	E308-H312 PolarHBondContact O-CD2 2.8Å; E308-H312 VanDerWaalsContact O-CD2 3.3Å; E308-H312 PolarHBondContact O-N 2.85Å; H312-C315 PolarHBondContact O-N 2.88Å; H312-G316 PolarHBondContact O-N 2.81Å; H312-A317 HydrophobicContact CB-CB 3.99Å; H312-A317 WeakPolarHBondContact O-CB 3.07Å; H312-A317 PolarHBondContact O-N 2.84Å; H312-E535 IonicContact CE1-OE2 2.85Å; H312-E535 IonicContact ND1-OE2 2.71Å; H312-L543 VanDerWaalsContact CE1-CD1 3.41Å; H312-L543 WeakPolarHBondContact CE1-CD1 3.37Å; H312-L543 WeakPolarHBondContact NE2-CD1 3.38Å
313	K	80.2	Confident	75.4	Confident	62 Å²	62	34.9 Å²	34.9	27%	0.27	22%	0.221	S	C	.	.	H	α-helix	trans	-64	-44.4	177.1	-174.7	-178.2	177.5	-173.7	0	112.1	K309 S310 L311 C315 G316 A738 V753	K309-K313 PolarHBondContact O-N 3.09Å; S310-K313 WeakPolarHBondContact O-CB 3.47Å; S310-K313 PolarHBondContact O-N 3.2Å; S310-K313 VanDerWaalsContact O-N 3.17Å; L311-K313 VanDerWaalsContact C-N 3.31Å; L311-K313 PolarHBondContact O-N 3.1Å; K313-C315 VanDerWaalsContact C-N 3.34Å; K313-C315 PolarHBondContact O-N 2.89Å; K313-G316 PolarHBondContact O-N 3.19Å; K313-A738 PolarHBondContact NZ-O 3.1Å; K313-V753 WeakPolarHBondContact CD-O 3.4Å; K313-V753 WeakPolarHBondContact CE-O 3.12Å; K313-V753 PolarHBondContact NZ-O 2.81Å
314	L	80.6	Confident	76.5	Confident	76 Å²	76	33.9 Å²	33.9	40%	0.398	22%	0.217	S	C	.	.	H	α-helix	trans	-62.7	-37.8	176.6	-73.4	172.6	0	0	0	112.6	Y306 S310 L311 G316 V753	Y306-L314 HydrophobicContact CD2-CD1 3.83Å; Y306-L314 HydrophobicContact CE2-CD1 3.83Å; Y306-L314 HydrophobicContact CG-CD1 4.21Å; S310-L314 PolarHBondContact O-N 2.98Å; L311-L314 PolarHBondContact O-N 3.33Å; L314-G316 PolarHBondContact O-N 2.89Å; L314-V753 HydrophobicContact CD1-CG1 4.21Å; L314-V753 HydrophobicContact CD2-CG1 3.81Å; L314-V753 HydrophobicContact CG-CG1 4.05Å
315	C	83.7	Confident	77.6	Confident	21 Å²	21	32.8 Å²	32.8	14%	0.142	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-0.7	173.4	-73.6	0	0	0	0	114.2	L311 H312 K313 V539 C542	L311-C315 WeakPolarHBondContact O-CB 3.01Å; L311-C315 PolarHBondContact O-N 3.3Å; H312-C315 PolarHBondContact O-N 2.88Å; K313-C315 VanDerWaalsContact C-N 3.34Å; K313-C315 PolarHBondContact O-N 2.89Å; C315-V539 HydrophobicContact CB-CG1 4.02Å; C315-C542 WeakPolarHBondContact CA-SG 3.39Å; C315-C542 HydrophobicContact CB-CB 3.7Å; C315-C542 WeakPolarHBondContact CB-SG 3.49Å; C315-C542 WeakPolarHBondContact SG-CB 3.32Å; C315-C542 CovalentContact SG-SG 2.05Å; C315-C542 PolarHBondContact SG-SG 2.66Å
316	G	79.8	Confident	78.4	Confident	58 Å²	58	32.6 Å²	32.6	60%	0.598	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	85	20.4	176.4	0	0	0	0	0	115.3	H312 K313 L314	H312-G316 PolarHBondContact O-N 2.81Å; K313-G316 PolarHBondContact O-N 3.19Å; L314-G316 PolarHBondContact O-N 2.89Å
317	A	78.3	Confident	78.6	Confident	17 Å²	17	32.9 Å²	32.9	14%	0.14	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-61.2	147.2	168.3	0	0	0	0	0	110.6	H312 V539	H312-A317 HydrophobicContact CB-CB 3.99Å; H312-A317 WeakPolarHBondContact O-CB 3.07Å; H312-A317 PolarHBondContact O-N 2.84Å; A317-V539 HydrophobicContact CB-CG1 4.09Å
318	S	66.5	Low	78.7	Confident	34 Å²	34	35.5 Å²	35.5	24%	0.238	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-79.2	153.2	175.9	87	0	0	0	0	111.5	R530 K533	S318-R530 PolarHBondContact OG-NH2 3.47Å; S318-K533 WeakPolarHBondContact OG-CD 3.39Å; S318-K533 PolarHBondContact OG-NZ 3.2Å
319	S	67.5	Low	78.3	Confident	103 Å²	103	37.6 Å²	37.6	72%	0.72	25%	0.253	S	S	*	.	S	Bend	trans	-49.6	153.3	167.4	52.3	0	0	0	0	112.9
320	G	71.8	Confident	77.7	Confident	54 Å²	54	39.7 Å²	39.7	56%	0.557	28%	0.275	S	S	*	.			trans	106.4	17.3	-176.9	0	0	0	0	0	115.4
321	T	78.4	Confident	77	Confident	22 Å²	22	42.7 Å²	42.7	14%	0.135	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.2	169.8	41.7	0	0	0	0	110.9	I528 R530	T321-I528 HydrophobicContact CG2-CG2 3.91Å; T321-R530 HydrophobicContact CG2-CB 4.2Å; T321-R530 HydrophobicContact CG2-CG 4.2Å
322	V	84.1	Confident	76.7	Confident	35 Å²	35	41.6 Å²	41.6	21%	0.212	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.5	175.3	-179.7	0	0	0	0	108.7	L324 L364 V365 I528 I529	V322-L324 HydrophobicContact CG1-CD2 4.11Å; V322-L364 HydrophobicContact CG1-CD2 3.89Å; V322-L364 HydrophobicContact CG1-CG 3.69Å; V322-V365 HydrophobicContact CB-CG2 4.49Å; V322-V365 HydrophobicContact CG1-CG2 3.94Å; V322-I528 CarbonylContact O-C 3.47Å; V322-I528 VanDerWaalsContact O-CA 3.32Å; V322-I528 WeakPolarHBondContact O-CA 3.27Å; V322-I529 PolarHBondContact N-O 2.84Å; V322-I529 PolarHBondContact O-N 2.94Å
323	E	84.6	Confident	76.6	Confident	23 Å²	23	46.7 Å²	46.7	11%	0.107	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.1	177	-170.1	174.2	-175.4	0	0	109.4	K309 P326 Q348 I528	K309-E323 WeakPolarHBondContact CB-OE2 3.34Å; E323-P326 HydrophobicContact CG-CB 4.26Å; E323-Q348 PolarHBondContact OE1-NE2 3.2Å; E323-I528 HydrophobicContact CB-CG1 4.36Å; E323-I528 HydrophobicContact CG-CG1 4.36Å
324	L	88.1	Confident	76.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	31%	0.314	C	S	.	.	S	Bend	trans	-90.4	-23.5	-178.2	-58.4	-171.5	0	0	0	112.9	V322 P326 W334 V360 L364 V365 L392 L486 V488 L527 I529	V322-L324 HydrophobicContact CG1-CD2 4.11Å; L324-P326 WeakPolarHBondContact O-CD 3.44Å; L324-W334 PolarHBondContact O-NE1 3.5Å; L324-W334 VanDerWaalsContact O-NE1 3.11Å; L324-V360 HydrophobicContact CD2-CG1 4Å; L324-V360 HydrophobicContact CD2-CG2 4.23Å; L324-L364 HydrophobicContact CD2-CD2 4.37Å; L324-V365 HydrophobicContact CD2-CG2 3.84Å; L324-L392 HydrophobicContact CD1-CD1 3.61Å; L324-L486 HydrophobicContact CD1-CD2 4.2Å; L324-L486 HydrophobicContact CD2-CD2 4.34Å; L324-V488 HydrophobicContact CB-CG2 4.29Å; L324-V488 HydrophobicContact CD1-CG2 4.16Å; L324-L527 HydrophobicContact CB-CD2 4.13Å; L324-L527 HydrophobicContact CB-CG 4.11Å; L324-L527 HydrophobicContact CD1-CD2 4.09Å; L324-L527 HydrophobicContact CD1-CG 4.11Å; L324-L527 HydrophobicContact CG-CG 4.42Å; L324-L527 PolarHBondContact N-O 3.09Å; L324-I529 HydrophobicContact CD1-CD1 3.73Å; L324-I529 HydrophobicContact CD1-CG1 3.95Å; L324-I529 HydrophobicContact CG-CG1 4.41Å
325	L	86.2	Confident	76.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-117.9	56.5	177.6	-64.4	179.2	0	0	0	111.7	F350 F352 I358 V488 L524 L527	L325-F350 HydrophobicContact CB-CD2 3.84Å; L325-F350 HydrophobicContact CB-CE2 3.74Å; L325-F350 HydrophobicContact CD1-CD2 4.14Å; L325-F350 HydrophobicContact CD2-CD2 4.39Å; L325-F350 HydrophobicContact CG-CD2 4.35Å; L325-F350 VanDerWaalsContact O-CE2 3.26Å; L325-F350 WeakPolarHBondContact O-CE2 3.29Å; L325-F352 HydrophobicContact CD2-CZ 4.42Å; L325-I358 HydrophobicContact CD2-CD1 3.32Å; L325-V488 HydrophobicContact CD1-CG1 4.35Å; L325-V488 HydrophobicContact CD2-CG1 4.11Å; L325-V488 HydrophobicContact CG-CG1 4.42Å; L325-L524 HydrophobicContact CD1-CB 3.86Å; L325-L527 HydrophobicContact CB-CB 4.43Å; L325-L527 HydrophobicContact CD1-CB 3.76Å; L325-L527 HydrophobicContact CD1-CD2 4.2Å; L325-L527 HydrophobicContact CG-CB 3.98Å; L325-L527 HydrophobicContact CG-CD2 4.29Å
326	P	81.8	Confident	76.5	Confident	18 Å²	18	46.2 Å²	46.2	12%	0.117	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-70	160.7	176.1	32.9	-39	0	0	0	112	E323 L324 A332 W334 T335	E323-P326 HydrophobicContact CG-CB 4.26Å; L324-P326 WeakPolarHBondContact O-CD 3.44Å; P326-A332 HydrophobicContact CB-CB 4.2Å; P326-A332 HydrophobicContact CG-CB 3.65Å; P326-W334 HydrophobicContact CG-CH2 4.35Å; P326-W334 HydrophobicContact CG-CZ2 3.7Å; P326-T335 HydrophobicContact CG-CG2 4.29Å; P326-T335 PolarHBondContact O-OG1 3.04Å
327	A	75.5	Confident	76.2	Confident	43 Å²	43	47.1 Å²	47.1	36%	0.355	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-56.5	137.1	169.8	0	0	0	0	0	110.5	S329 Q348	A327-S329 PolarHBondContact O-N 2.92Å; A327-Q348 HydrophobicContact CB-CG 4.39Å; A327-Q348 VanDerWaalsContact N-NE2 3.2Å
328	P	73.8	Confident	76.2	Confident	75 Å²	75	47.6 Å²	47.6	49%	0.487	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-59.1	127.5	-178.4	-24.6	34.3	0	0	0	112.2	V336	P328-V336 HydrophobicContact CB-CG2 3.99Å
329	S	67.8	Low	76.8	Confident	51 Å²	51	47.9 Å²	47.9	36%	0.357	33%	0.327	S	S	.	.			trans	-151.5	176	-178	80.7	0	0	0	0	112.2	A327 S331 A332 N333	A327-S329 PolarHBondContact O-N 2.92Å; S329-S331 PolarHBondContact O-N 3.32Å; S329-S331 PolarHBondContact OG-N 3.24Å; S329-S331 PolarHBondContact OG-OG 3.33Å; S329-S331 VanDerWaalsContact OG-OG 3.06Å; S329-A332 PolarHBondContact N-O 2.85Å; S329-A332 CarbonylContact O-C 3.59Å; S329-A332 VanDerWaalsContact O-C 3.27Å; S329-A332 PolarHBondContact O-N 3.36Å; S329-A332 VanDerWaalsContact O-N 3.16Å; S329-A332 WeakPolarHBondContact OG-CB 3.46Å; S329-A332 PolarHBondContact OG-N 3Å; S329-N333 PolarHBondContact O-N 2.95Å
330	S	64.1	Low	77.1	Confident	100 Å²	100	45.5 Å²	45.5	70%	0.699	31%	0.309	S	S	*	.	S	Bend	trans	-61	-28.8	173.9	55.8	0	0	0	0	113.4
331	S	65.3	Low	76.7	Confident	72 Å²	72	46.3 Å²	46.3	50%	0.503	30%	0.3	S	S	.	.	S	Bend	trans	-92.1	-17.7	174.2	55.8	0	0	0	0	113.7	S329 W334	S329-S331 PolarHBondContact O-N 3.32Å; S329-S331 PolarHBondContact OG-N 3.24Å; S329-S331 PolarHBondContact OG-OG 3.33Å; S329-S331 VanDerWaalsContact OG-OG 3.06Å; S331-W334 WeakPolarHBondContact O-CZ3 3.42Å
332	A	72.4	Confident	75.5	Confident	5 Å²	5	52.7 Å²	52.7	4%	0.041	33%	0.333	C	S	.	.			trans	-121.5	62.8	-177.8	0	0	0	0	0	112	P326 S329 W334 T335	P326-A332 HydrophobicContact CB-CB 4.2Å; P326-A332 HydrophobicContact CG-CB 3.65Å; S329-A332 PolarHBondContact N-O 2.85Å; S329-A332 CarbonylContact O-C 3.59Å; S329-A332 VanDerWaalsContact O-C 3.27Å; S329-A332 PolarHBondContact O-N 3.36Å; S329-A332 VanDerWaalsContact O-N 3.16Å; S329-A332 WeakPolarHBondContact OG-CB 3.46Å; S329-A332 PolarHBondContact OG-N 3Å; A332-W334 HydrophobicContact CB-CH2 4.25Å; A332-W334 HydrophobicContact CB-CZ3 4.29Å; A332-W334 PolarHBondContact O-N 3.5Å; A332-T335 PolarHBondContact O-OG1 3.29Å
333	N	77.9	Confident	73.8	Confident	111 Å²	111	53.1 Å²	53.1	59%	0.594	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-78.8	-11.5	-175.1	68.7	-1.1	0	0	0	114.9	S329 V336	S329-N333 PolarHBondContact O-N 2.95Å; N333-V336 WeakPolarHBondContact O-CB 3.23Å; N333-V336 WeakPolarHBondContact O-CG2 3.42Å; N333-V336 PolarHBondContact O-N 3.3Å
334	W	84.1	Confident	72.1	Confident	50 Å²	50	57.9 Å²	57.9	19%	0.189	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-81.8	-13.2	-175.6	67.2	86.7	0	0	0	114.3	L324 P326 S331 A332 P361 L364	L324-W334 PolarHBondContact O-NE1 3.5Å; L324-W334 VanDerWaalsContact O-NE1 3.11Å; P326-W334 HydrophobicContact CG-CH2 4.35Å; P326-W334 HydrophobicContact CG-CZ2 3.7Å; S331-W334 WeakPolarHBondContact O-CZ3 3.42Å; A332-W334 HydrophobicContact CB-CH2 4.25Å; A332-W334 HydrophobicContact CB-CZ3 4.29Å; A332-W334 PolarHBondContact O-N 3.5Å; W334-P361 HydrophobicContact CB-CG 4.38Å; W334-P361 HydrophobicContact CD2-CG 3.78Å; W334-P361 HydrophobicContact CE3-CG 3.49Å; W334-P361 VanDerWaalsContact CE3-CG 3.49Å; W334-P361 HydrophobicContact CG-CG 4.17Å; W334-P361 HydrophobicContact CZ3-CG 4.02Å; W334-L364 HydrophobicContact CH2-CD1 4.14Å; W334-L364 HydrophobicContact CH2-CD2 3.88Å; W334-L364 HydrophobicContact CZ2-CD2 3.62Å
335	T	81.8	Confident	69.9	Low	1 Å²	1	66.5 Å²	66.5	1%	0.006	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-92	-5.6	171.4	53	0	0	0	0	113	P326 A332 G337 L338	P326-T335 HydrophobicContact CG-CG2 4.29Å; P326-T335 PolarHBondContact O-OG1 3.04Å; A332-T335 PolarHBondContact O-OG1 3.29Å; T335-G337 PolarHBondContact O-N 3.18Å; T335-L338 HydrophobicContact CG2-CD1 4.18Å; T335-L338 PolarHBondContact O-N 3.39Å
336	V	76.7	Confident	68.2	Low	98 Å²	98	67.4 Å²	67.4	59%	0.594	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	124.6	177	178.5	0	0	0	0	110.3	P328 N333	P328-V336 HydrophobicContact CB-CG2 3.99Å; N333-V336 WeakPolarHBondContact O-CB 3.23Å; N333-V336 WeakPolarHBondContact O-CG2 3.42Å; N333-V336 PolarHBondContact O-N 3.3Å
337	G	72.8	Confident	67	Low	77 Å²	77	67 Å²	67	79%	0.794	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.5	2.6	177.7	0	0	0	0	0	115.3	T335	T335-G337 PolarHBondContact O-N 3.18Å
338	L	79.4	Confident	66.8	Low	27 Å²	27	65.8 Å²	65.8	14%	0.141	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-73.9	144.2	163.3	-65.1	163.9	0	0	0	110.3	T335 F350 I358	T335-L338 HydrophobicContact CG2-CD1 4.18Å; T335-L338 PolarHBondContact O-N 3.39Å; L338-F350 HydrophobicContact CB-CD1 3.67Å; L338-F350 HydrophobicContact CB-CE1 4.26Å; L338-F350 HydrophobicContact CD1-CD1 3.53Å; L338-F350 HydrophobicContact CD1-CE1 3.89Å; L338-F350 HydrophobicContact CD1-CG 4.21Å; L338-F350 HydrophobicContact CG-CD1 4.25Å; L338-I358 HydrophobicContact CD1-CD1 3.37Å; L338-I358 HydrophobicContact CD1-CG1 3.83Å; L338-I358 HydrophobicContact CD2-CD1 3.79Å; L338-I358 HydrophobicContact CD2-CG1 3.68Å; L338-I358 HydrophobicContact CG-CD1 4.16Å; L338-I358 HydrophobicContact CG-CG1 4.19Å
339	P	78.7	Confident	67.2	Low	40 Å²	40	62.2 Å²	62.2	26%	0.26	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-71.5	132.5	168.8	-2.8	19.3	0	0	0	109.7	E351 Q356	P339-E351 HydrophobicContact CB-CB 4.24Å; P339-E351 PolarHBondContact O-N 2.83Å; P339-Q356 VanDerWaalsContact CD-NE2 3.28Å
340	T	74.3	Confident	68	Low	54 Å²	54	59.9 Å²	59.9	33%	0.331	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-103.9	149.9	167.6	49.5	0	0	0	0	109.9	N342 V349 F350	T340-N342 PolarHBondContact O-N 3.28Å; T340-V349 VanDerWaalsContact CA-O 3.27Å; T340-V349 WeakPolarHBondContact CA-O 3.49Å; T340-F350 HydrophobicContact CG2-CD1 4.12Å; T340-F350 HydrophobicContact CG2-CE1 4.07Å
341	D	63.2	Low	69.1	Low	71 Å²	71	59.3 Å²	59.3	38%	0.38	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-69.8	118.4	174.1	-160	-2.5	0	0	0	108.9	G343 V349	D341-G343 PolarHBondContact O-N 2.84Å; D341-V349 HydrophobicContact CB-CB 4.34Å; D341-V349 HydrophobicContact CB-CG1 4.16Å; D341-V349 PolarHBondContact N-O 3.04Å
342	N	53	Low	70.3	Confident	156 Å²	156	56 Å²	56	83%	0.834	33%	0.326	S	S	*	.	S	Bend	trans	-81.2	89.7	-165.4	-74.1	-62.3	0	0	0	111.7	T340	T340-N342 PolarHBondContact O-N 3.28Å
343	G	49.3	Very low	70.9	Confident	44 Å²	44	59.5 Å²	59.5	45%	0.454	34%	0.344	S	S	.	.	S	Bend	trans	-126.7	-66.9	173.6	0	0	0	0	0	113.1	D341	D341-G343 PolarHBondContact O-N 2.84Å
344	H	48.2	Very low	71.2	Confident	122 Å²	122	54.7 Å²	54.7	57%	0.565	32%	0.321	S	S	*	.			trans	-137.9	147.9	176.6	-74.5	-13.4	0	0	0	110.9	S346 D347	H344-S346 PolarHBondContact O-N 2.68Å; H344-D347 PolarHBondContact O-N 2.85Å; H344-D347 VanDerWaalsContact O-N 3.09Å
345	D	41.1	Very low	71.1	Confident	182 Å²	182	57.1 Å²	57.1	97%	0.973	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-9.2	-179.2	-65.5	-47	0	0	0	113.8
346	S	50.1	Low	71.3	Confident	19 Å²	19	59.1 Å²	59.1	13%	0.133	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.6	174.3	52.5	0	0	0	0	114.5	H344 Q348 N789	H344-S346 PolarHBondContact O-N 2.68Å; S346-Q348 PolarHBondContact O-N 3.33Å; S346-N789 PolarHBondContact O-ND2 2.96Å
347	D	57.9	Low	71.9	Confident	10 Å²	10	55.8 Å²	55.8	5%	0.053	33%	0.333	C	S	.	.			trans	-93.9	104.5	-169.1	-76.2	-40.6	0	0	0	114.8	K299 H344 V349	K299-D347 IonicContact NZ-OD1 2.88Å; K299-D347 PolarHBondContact NZ-OD1 3.3Å; H344-D347 PolarHBondContact O-N 2.85Å; H344-D347 VanDerWaalsContact O-N 3.09Å; D347-V349 PolarHBondContact O-N 3.12Å
348	Q	72	Confident	72.7	Confident	17 Å²	17	52.4 Å²	52.4	8%	0.079	30%	0.297	C	S	.	.			trans	-76.1	43.2	174.6	-53.8	179	-80.1	0	0	113.2	E323 A327 S346 F350 A525	E323-Q348 PolarHBondContact OE1-NE2 3.2Å; A327-Q348 HydrophobicContact CB-CG 4.39Å; A327-Q348 VanDerWaalsContact N-NE2 3.2Å; S346-Q348 PolarHBondContact O-N 3.33Å; Q348-F350 HydrophobicContact CB-CE2 4.17Å; Q348-F350 WeakPolarHBondContact O-CD2 3.45Å; Q348-A525 WeakPolarHBondContact O-CB 3.45Å
349	V	81.5	Confident	73.1	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	116.7	175.1	-178.8	0	0	0	0	109	K299 T340 D341 D347 W445 N523 A525	K299-V349 HydrophobicContact CD-CG2 4.31Å; K299-V349 VanDerWaalsContact CE-CG2 3.41Å; K299-V349 HydrophobicContact CG-CG2 4.06Å; T340-V349 VanDerWaalsContact CA-O 3.27Å; T340-V349 WeakPolarHBondContact CA-O 3.49Å; D341-V349 HydrophobicContact CB-CB 4.34Å; D341-V349 HydrophobicContact CB-CG1 4.16Å; D341-V349 PolarHBondContact N-O 3.04Å; D347-V349 PolarHBondContact O-N 3.12Å; V349-W445 HydrophobicContact CG1-CH2 3.97Å; V349-W445 HydrophobicContact CG1-CZ2 3.9Å; V349-N523 HydrophobicContact CG1-CB 4.11Å; V349-A525 HydrophobicContact CG2-CB 4.37Å
350	F	84.9	Confident	73.5	Confident	1 Å²	1	54.3 Å²	54.3	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.9	-179.9	-61.1	-84	0	0	0	110.5	L325 L338 T340 Q348 F352 N523 L524	L325-F350 HydrophobicContact CB-CD2 3.84Å; L325-F350 HydrophobicContact CB-CE2 3.74Å; L325-F350 HydrophobicContact CD1-CD2 4.14Å; L325-F350 HydrophobicContact CD2-CD2 4.39Å; L325-F350 HydrophobicContact CG-CD2 4.35Å; L325-F350 VanDerWaalsContact O-CE2 3.26Å; L325-F350 WeakPolarHBondContact O-CE2 3.29Å; L338-F350 HydrophobicContact CB-CD1 3.67Å; L338-F350 HydrophobicContact CB-CE1 4.26Å; L338-F350 HydrophobicContact CD1-CD1 3.53Å; L338-F350 HydrophobicContact CD1-CE1 3.89Å; L338-F350 HydrophobicContact CD1-CG 4.21Å; L338-F350 HydrophobicContact CG-CD1 4.25Å; T340-F350 HydrophobicContact CG2-CD1 4.12Å; T340-F350 HydrophobicContact CG2-CE1 4.07Å; Q348-F350 HydrophobicContact CB-CE2 4.17Å; Q348-F350 WeakPolarHBondContact O-CD2 3.45Å; F350-F352 HydrophobicContact CB-CE2 3.79Å; F350-F352 HydrophobicContact CB-CZ 4.4Å; F350-F352 WeakPolarHBondContact O-CD2 3.27Å; F350-N523 WeakPolarHBondContact O-CA 3.25Å; F350-L524 PolarHBondContact N-O 2.92Å; F350-L524 PolarHBondContact O-N 2.79Å
351	E	87.6	Confident	74.1	Confident	89 Å²	89	54.2 Å²	54.2	42%	0.416	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.8	174.7	-168.6	-172.9	177.3	0	0	110.7	P339 Q356	P339-E351 HydrophobicContact CB-CB 4.24Å; P339-E351 PolarHBondContact O-N 2.83Å; E351-Q356 PolarHBondContact O-OE1 2.87Å
352	F	89.1	Confident	74.9	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.009	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	108.4	172.9	-65.9	-98.6	0	0	0	108.5	L325 F350 G354 Q356 I358 V488 F520 R521 G522 L524	L325-F352 HydrophobicContact CD2-CZ 4.42Å; F350-F352 HydrophobicContact CB-CE2 3.79Å; F350-F352 HydrophobicContact CB-CZ 4.4Å; F350-F352 WeakPolarHBondContact O-CD2 3.27Å; F352-G354 VanDerWaalsContact C-N 3.28Å; F352-G354 PolarHBondContact O-N 2.94Å; F352-Q356 HydrophobicContact CD1-CB 4.45Å; F352-I358 HydrophobicContact CE1-CD1 3.94Å; F352-I358 HydrophobicContact CZ-CD1 3.75Å; F352-V488 HydrophobicContact CZ-CG1 4.18Å; F352-F520 HydrophobicContact CB-CD1 3.82Å; F352-F520 HydrophobicContact CD2-CD1 4.22Å; F352-F520 HydrophobicContact CG-CD1 4.07Å; F352-R521 VanDerWaalsContact O-CA 3.32Å; F352-R521 WeakPolarHBondContact O-CA 3.43Å; F352-G522 PolarHBondContact N-O 3.39Å; F352-G522 PolarHBondContact O-N 2.76Å; F352-L524 HydrophobicContact CD2-CB 4.4Å; F352-L524 HydrophobicContact CD2-CD1 4.09Å; F352-L524 HydrophobicContact CD2-CG 4.1Å; F352-L524 HydrophobicContact CE2-CB 3.94Å; F352-L524 HydrophobicContact CE2-CD1 3.74Å; F352-L524 HydrophobicContact CE2-CG 3.96Å; F352-L524 HydrophobicContact CZ-CD1 4.16Å
353	N	85.7	Confident	75.8	Confident	79 Å²	79	52.1 Å²	52.1	42%	0.422	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	9.6	-176.3	67.6	4.7	0	0	0	114.6	T355 Q356	N353-T355 PolarHBondContact OD1-N 2.83Å; N353-T355 PolarHBondContact OD1-OG1 3.39Å; N353-Q356 PolarHBondContact ND2-OE1 3.23Å; N353-Q356 PolarHBondContact OD1-OE1 2.64Å; N353-Q356 VanDerWaalsContact OD1-OE1 3.08Å
354	G	83.6	Confident	77.2	Confident	9 Å²	9	53 Å²	53	9%	0.093	30%	0.301	C	S	.	.	S	Bend	trans	83.2	9.8	-172.8	0	0	0	0	0	115.7	F352 F519 F520	F352-G354 VanDerWaalsContact C-N 3.28Å; F352-G354 PolarHBondContact O-N 2.94Å; G354-F519 VanDerWaalsContact C-CB 3.46Å; G354-F519 WeakPolarHBondContact O-CB 3.45Å; G354-F519 WeakPolarHBondContact O-CG 3.39Å; G354-F520 VanDerWaalsContact CA-O 3.3Å; G354-F520 WeakPolarHBondContact CA-O 3.11Å; G354-F520 PolarHBondContact N-O 2.74Å; G354-F520 VanDerWaalsContact N-O 3.12Å
355	T	83.1	Confident	78.6	Confident	101 Å²	101	47.9 Å²	47.9	62%	0.62	28%	0.279	S	S	*	.	S	Bend	trans	-129.4	-3.9	170	72.9	0	0	0	0	114	N353 F519	N353-T355 PolarHBondContact OD1-N 2.83Å; N353-T355 PolarHBondContact OD1-OG1 3.39Å; T355-F519 WeakPolarHBondContact O-CE1 3.37Å
356	Q	85.6	Confident	79.8	Confident	43 Å²	43	44.9 Å²	44.9	20%	0.201	26%	0.263	C	S	.	.			trans	-105.1	140	-173.5	-71.9	155.4	-37.6	0	0	111	P339 E351 F352 N353	P339-Q356 VanDerWaalsContact CD-NE2 3.28Å; E351-Q356 PolarHBondContact O-OE1 2.87Å; F352-Q356 HydrophobicContact CD1-CB 4.45Å; N353-Q356 PolarHBondContact ND2-OE1 3.23Å; N353-Q356 PolarHBondContact OD1-OE1 2.64Å; N353-Q356 VanDerWaalsContact OD1-OE1 3.08Å
357	A	88.6	Confident	79.9	Confident	28 Å²	28	47.4 Å²	47.4	23%	0.231	29%	0.285	C	S	.	.			trans	-159.4	156.4	175	0	0	0	0	0	110.8	V488 A490 M516 F519	A357-V488 CarbonylContact C-O 3.58Å; A357-V488 VanDerWaalsContact CA-O 3.29Å; A357-V488 WeakPolarHBondContact CA-O 3.3Å; A357-V488 WeakPolarHBondContact CB-O 3.32Å; A357-A490 HydrophobicContact CB-CB 3.38Å; A357-M516 HydrophobicContact CB-CE 3.93Å; A357-M516 HydrophobicContact CB-SD 3.73Å; A357-F519 HydrophobicContact CB-CD1 4.23Å; A357-F519 HydrophobicContact CB-CE1 4.02Å
358	I	89.1	Confident	80.1	Confident	7 Å²	7	50.8 Å²	50.8	4%	0.036	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.3	-169.1	-55.3	150.6	0	0	0	108.6	L325 L338 F352 T487 V488	L325-I358 HydrophobicContact CD2-CD1 3.32Å; L338-I358 HydrophobicContact CD1-CD1 3.37Å; L338-I358 HydrophobicContact CD1-CG1 3.83Å; L338-I358 HydrophobicContact CD2-CD1 3.79Å; L338-I358 HydrophobicContact CD2-CG1 3.68Å; L338-I358 HydrophobicContact CG-CD1 4.16Å; L338-I358 HydrophobicContact CG-CG1 4.19Å; F352-I358 HydrophobicContact CE1-CD1 3.94Å; F352-I358 HydrophobicContact CZ-CD1 3.75Å; I358-T487 WeakPolarHBondContact O-CA 3.26Å; I358-V488 HydrophobicContact CB-CB 4.33Å; I358-V488 HydrophobicContact CD1-CB 4.24Å; I358-V488 HydrophobicContact CD1-CG1 4.29Å; I358-V488 PolarHBondContact N-O 3.02Å; I358-V488 PolarHBondContact O-N 3.06Å
359	K	88	Confident	79.8	Confident	101 Å²	101	51.3 Å²	51.3	44%	0.439	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	120.9	168.2	-57.4	-177.4	-167.5	-176.7	0	108.1	T487 W492 M516	K359-T487 HydrophobicContact CG-CG2 4.44Å; K359-W492 HydrophobicContact CD-CZ3 4.31Å; K359-W492 VanDerWaalsContact NZ-CZ3 3.27Å; K359-M516 HydrophobicContact CG-CE 3.7Å
360	V	87.9	Confident	79.1	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.03	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-76.4	135.8	173.6	-177.1	0	0	0	0	108.3	L324 L364 Q485 L486 V488	L324-V360 HydrophobicContact CD2-CG1 4Å; L324-V360 HydrophobicContact CD2-CG2 4.23Å; V360-L364 HydrophobicContact CG1-CB 4.21Å; V360-L364 HydrophobicContact CG1-CD2 3.69Å; V360-Q485 PolarHBondContact O-NE2 3.36Å; V360-Q485 VanDerWaalsContact O-NE2 3.12Å; V360-L486 HydrophobicContact CB-CB 4.13Å; V360-L486 HydrophobicContact CB-CD2 4.1Å; V360-L486 HydrophobicContact CB-CG 4.1Å; V360-L486 HydrophobicContact CG1-CD2 4.2Å; V360-L486 HydrophobicContact CG2-CB 4.42Å; V360-L486 HydrophobicContact CG2-CD2 4.03Å; V360-L486 HydrophobicContact CG2-CG 3.91Å; V360-L486 PolarHBondContact N-O 3.38Å; V360-V488 HydrophobicContact CG2-CG2 4.08Å
361	P	86.3	Confident	78.9	Confident	52 Å²	52	63 Å²	63	34%	0.338	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-59.9	143.3	176.9	-25.4	34.7	0	0	0	113.5	W334 G363 L364	W334-P361 HydrophobicContact CB-CG 4.38Å; W334-P361 HydrophobicContact CD2-CG 3.78Å; W334-P361 HydrophobicContact CE3-CG 3.49Å; W334-P361 VanDerWaalsContact CE3-CG 3.49Å; W334-P361 HydrophobicContact CG-CG 4.17Å; W334-P361 HydrophobicContact CZ3-CG 4.02Å; P361-G363 PolarHBondContact O-N 3.03Å; P361-L364 PolarHBondContact O-N 2.99Å
362	D	79.8	Confident	78.9	Confident	107 Å²	107	61 Å²	61	57%	0.572	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	135.5	174.7	-68.4	-46.2	0	0	0	110.8	K397	D362-K397 IonicContact OD1-NZ 3.68Å; D362-K397 PolarHBondContact OD1-NZ 3.07Å; D362-K397 IonicContact OD2-NZ 2.87Å; D362-K397 PolarHBondContact OD2-NZ 3.12Å
363	G	73.4	Confident	78.9	Confident	76 Å²	76	61.1 Å²	61.1	78%	0.784	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.6	-10.3	178.3	0	0	0	0	0	116	P361	P361-G363 PolarHBondContact O-N 3.03Å
364	L	78.2	Confident	79.2	Confident	62 Å²	62	57.5 Å²	57.5	33%	0.325	34%	0.335	S	S	.	.	S	Bend	trans	-67.8	-39.3	176.2	-168.1	76.2	0	0	0	112.2	V322 L324 W334 V360 P361	V322-L364 HydrophobicContact CG1-CD2 3.89Å; V322-L364 HydrophobicContact CG1-CG 3.69Å; L324-L364 HydrophobicContact CD2-CD2 4.37Å; W334-L364 HydrophobicContact CH2-CD1 4.14Å; W334-L364 HydrophobicContact CH2-CD2 3.88Å; W334-L364 HydrophobicContact CZ2-CD2 3.62Å; V360-L364 HydrophobicContact CG1-CB 4.21Å; V360-L364 HydrophobicContact CG1-CD2 3.69Å; P361-L364 PolarHBondContact O-N 2.99Å
365	V	76.4	Confident	79.6	Confident	16 Å²	16	57.1 Å²	57.1	10%	0.097	33%	0.331	C	S	.	.	S	Bend	trans	-108.5	129.2	172.3	-179.7	0	0	0	0	108.3	V322 L324 A367 L486 I529	V322-V365 HydrophobicContact CB-CG2 4.49Å; V322-V365 HydrophobicContact CG1-CG2 3.94Å; L324-V365 HydrophobicContact CD2-CG2 3.84Å; V365-A367 PolarHBondContact O-N 2.92Å; V365-L486 HydrophobicContact CB-CD2 4.41Å; V365-L486 HydrophobicContact CG2-CD2 3.92Å; V365-I529 HydrophobicContact CG1-CG2 4.39Å
366	N	66.1	Low	80	Confident	118 Å²	118	52.5 Å²	52.5	63%	0.631	30%	0.302	S	S	*	.			trans	-66.1	109.3	174	-172.2	3.7	0	0	0	109.2	N368	N366-N368 PolarHBondContact O-N 2.85Å
367	A	53.6	Low	80.2	Confident	72 Å²	72	50.5 Å²	50.5	60%	0.595	29%	0.293	S	S	*	.	S	Bend	trans	-67.1	2.1	-163.4	0	0	0	0	0	116	V365	V365-A367 PolarHBondContact O-N 2.92Å
368	N	60.9	Low	80.2	Confident	81 Å²	81	49.5 Å²	49.5	43%	0.433	28%	0.283	S	S	.	.			trans	-105.6	75.4	-174	-168.2	25.8	0	0	0	111.2	N366 K370	N366-N368 PolarHBondContact O-N 2.85Å; N368-K370 PolarHBondContact O-N 2.9Å; N368-K370 WeakPolarHBondContact OD1-CD 3.11Å; N368-K370 WeakPolarHBondContact OD1-CG 3.12Å; N368-K370 PolarHBondContact OD1-NZ 3.08Å
369	L	65.9	Low	80.3	Confident	28 Å²	28	49.2 Å²	49.2	15%	0.147	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	35.9	179.7	-61	-174.6	0	0	0	114.5	F373 Y405	L369-F373 HydrophobicContact CB-CD1 3.92Å; L369-F373 HydrophobicContact CB-CE1 3.77Å; L369-F373 HydrophobicContact CB-CZ 4.49Å; L369-F373 HydrophobicContact CD1-CD1 4.34Å; L369-F373 HydrophobicContact CD1-CE1 3.92Å; L369-F373 HydrophobicContact CD1-CE2 4.14Å; L369-F373 HydrophobicContact CD1-CZ 3.81Å; L369-F373 HydrophobicContact CD2-CB 4.39Å; L369-F373 HydrophobicContact CD2-CD1 4.05Å; L369-F373 HydrophobicContact CD2-CD2 4.48Å; L369-F373 HydrophobicContact CD2-CE1 4.45Å; L369-F373 HydrophobicContact CD2-CG 4.07Å; L369-F373 HydrophobicContact CG-CD1 4.34Å; L369-F373 HydrophobicContact CG-CE1 4.28Å; L369-Y405 HydrophobicContact CD1-CD1 3.52Å; L369-Y405 HydrophobicContact CD1-CD2 4.36Å; L369-Y405 HydrophobicContact CD1-CE1 3.25Å; L369-Y405 HydrophobicContact CD1-CE2 4.16Å; L369-Y405 HydrophobicContact CD1-CG 4.06Å; L369-Y405 HydrophobicContact CG-CE1 4.15Å
370	K	66.7	Low	80.4	Confident	129 Å²	129	49.1 Å²	49.1	56%	0.561	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-23.3	172.4	-68.3	-174.6	-175.1	104	0	112.7	N368 D421	N368-K370 PolarHBondContact O-N 2.9Å; N368-K370 WeakPolarHBondContact OD1-CD 3.11Å; N368-K370 WeakPolarHBondContact OD1-CG 3.12Å; N368-K370 PolarHBondContact OD1-NZ 3.08Å; K370-D421 WeakPolarHBondContact CE-OD2 3.31Å; K370-D421 IonicContact NZ-OD2 2.61Å; K370-D421 PolarHBondContact NZ-OD2 3.37Å
371	E	81.2	Confident	80.5	Confident	117 Å²	117	49.5 Å²	49.5	55%	0.547	28%	0.28	S	S	.	.	S	Bend	trans	-83.8	150	171.7	-63.6	-178.1	-178	0	0	109.8	F373	E371-F373 PolarHBondContact O-N 3.48Å
372	P	87.8	Confident	80.4	Confident	48 Å²	48	47.6 Å²	47.6	31%	0.312	27%	0.27	S	S	.	.			trans	-58.1	137.4	178.1	24.4	-34.3	0	0	0	110.9	V452 E453 G532 K533 L534	P372-V452 VanDerWaalsContact CA-O 3.26Å; P372-V452 WeakPolarHBondContact CA-O 3.35Å; P372-E453 HydrophobicContact CB-CB 4.47Å; P372-E453 HydrophobicContact CB-CG 4.45Å; P372-G532 CarbonylContact O-C 3.36Å; P372-G532 VanDerWaalsContact O-CA 3.28Å; P372-G532 WeakPolarHBondContact O-CA 3.5Å; P372-G532 PolarHBondContact O-N 3.31Å; P372-K533 PolarHBondContact O-N 3.16Å; P372-L534 HydrophobicContact CB-CD2 3.81Å; P372-L534 HydrophobicContact CB-CG 4.14Å
373	F	88.9	Confident	80.2	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	160.5	-174.9	68.3	-90.2	0	0	0	111.9	L369 E371 I375 L418 V452 R530	L369-F373 HydrophobicContact CB-CD1 3.92Å; L369-F373 HydrophobicContact CB-CE1 3.77Å; L369-F373 HydrophobicContact CB-CZ 4.49Å; L369-F373 HydrophobicContact CD1-CD1 4.34Å; L369-F373 HydrophobicContact CD1-CE1 3.92Å; L369-F373 HydrophobicContact CD1-CE2 4.14Å; L369-F373 HydrophobicContact CD1-CZ 3.81Å; L369-F373 HydrophobicContact CD2-CB 4.39Å; L369-F373 HydrophobicContact CD2-CD1 4.05Å; L369-F373 HydrophobicContact CD2-CD2 4.48Å; L369-F373 HydrophobicContact CD2-CE1 4.45Å; L369-F373 HydrophobicContact CD2-CG 4.07Å; L369-F373 HydrophobicContact CG-CD1 4.34Å; L369-F373 HydrophobicContact CG-CE1 4.28Å; E371-F373 PolarHBondContact O-N 3.48Å; F373-I375 HydrophobicContact CD2-CG1 4.16Å; F373-I375 HydrophobicContact CE2-CD1 3.96Å; F373-I375 HydrophobicContact CE2-CG1 3.98Å; F373-L418 HydrophobicContact CE1-CD1 4.46Å; F373-L418 HydrophobicContact CZ-CD1 4.3Å; F373-V452 HydrophobicContact CD1-CB 4.07Å; F373-V452 HydrophobicContact CD1-CG1 4.1Å; F373-V452 HydrophobicContact CD2-CB 4.24Å; F373-V452 HydrophobicContact CD2-CG2 4.32Å; F373-V452 HydrophobicContact CE1-CB 3.79Å; F373-V452 HydrophobicContact CE1-CG1 3.47Å; F373-V452 VanDerWaalsContact CE1-CG1 3.47Å; F373-V452 HydrophobicContact CE1-CG2 4.34Å; F373-V452 HydrophobicContact CE2-CB 3.96Å; F373-V452 HydrophobicContact CE2-CG1 4.37Å; F373-V452 HydrophobicContact CE2-CG2 3.74Å; F373-V452 HydrophobicContact CG-CB 4.29Å; F373-V452 HydrophobicContact CZ-CB 3.74Å; F373-V452 HydrophobicContact CZ-CG1 3.63Å; F373-V452 HydrophobicContact CZ-CG2 3.76Å; F373-V452 PolarHBondContact N-O 2.86Å; F373-V452 VanDerWaalsContact N-O 3.09Å; F373-V452 PolarHBondContact O-N 2.79Å; F373-R530 CarbonylContact C-O 3.54Å; F373-R530 WeakPolarHBondContact CA-O 3.39Å; F373-R530 VanDerWaalsContact CB-O 3.3Å; F373-R530 WeakPolarHBondContact CB-O 3.35Å
374	T	91.3	Very high	79.7	Confident	4 Å²	4	45.9 Å²	45.9	3%	0.025	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.6	175.6	-44.9	0	0	0	0	110.3	V449 L450 N451 I529 R530 K533 L534 E535	T374-V449 HydrophobicContact CG2-CG1 3.61Å; T374-L450 VanDerWaalsContact CA-O 3.32Å; T374-L450 WeakPolarHBondContact CA-O 3.46Å; T374-N451 WeakPolarHBondContact CG2-OD1 3.33Å; T374-N451 PolarHBondContact OG1-OD1 2.96Å; T374-I529 WeakPolarHBondContact O-CA 3.02Å; T374-R530 PolarHBondContact N-O 3.38Å; T374-R530 PolarHBondContact O-N 2.81Å; T374-K533 PolarHBondContact OG1-O 3.02Å; T374-L534 WeakPolarHBondContact OG1-CA 3.5Å; T374-E535 HydrophobicContact CG2-CB 3.94Å; T374-E535 PolarHBondContact OG1-N 2.84Å; T374-E535 VanDerWaalsContact OG1-N 3.17Å
375	I	91.9	Very high	79	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.2	162.4	-57.2	173.9	0	0	0	107.5	F373 L392 L407 V449 L450 L527 I528 I529	F373-I375 HydrophobicContact CD2-CG1 4.16Å; F373-I375 HydrophobicContact CE2-CD1 3.96Å; F373-I375 HydrophobicContact CE2-CG1 3.98Å; I375-L392 HydrophobicContact CD1-CD2 3.95Å; I375-L407 HydrophobicContact CG2-CD2 4.39Å; I375-V449 CarbonylContact O-C 3.58Å; I375-V449 WeakPolarHBondContact O-CA 2.8Å; I375-L450 HydrophobicContact CB-CB 4.48Å; I375-L450 PolarHBondContact N-O 2.98Å; I375-L450 PolarHBondContact O-N 3.3Å; I375-L527 HydrophobicContact CG2-CD1 4.2Å; I375-I528 WeakPolarHBondContact CA-O 3.03Å; I375-I529 HydrophobicContact CG1-CG1 4.41Å
376	S	91.5	Very high	78.6	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.8	174.2	-179.8	0	0	0	0	108.4	H447 Y448 L527 I528	S376-H447 PolarHBondContact OG-NE2 3.4Å; S376-Y448 WeakPolarHBondContact CA-O 3.3Å; S376-L527 WeakPolarHBondContact O-CA 3.42Å; S376-I528 PolarHBondContact N-O 3.34Å; S376-I528 PolarHBondContact O-N 3.29Å
377	V	91.5	Very high	79.4	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	139.4	175.7	64.4	0	0	0	0	111.5	Y448 L524 L527	V377-Y448 PolarHBondContact N-O 3.35Å; V377-Y448 PolarHBondContact O-N 2.94Å; V377-L524 HydrophobicContact CG2-CD2 4.11Å; V377-L527 HydrophobicContact CB-CB 4.49Å; V377-L527 HydrophobicContact CB-CD1 3.76Å; V377-L527 HydrophobicContact CG2-CB 4.01Å; V377-L527 HydrophobicContact CG2-CD1 3.89Å; V377-L527 HydrophobicContact CG2-CG 4.48Å
378	W	88.8	Confident	81.1	Confident	7 Å²	7	50 Å²	50	3%	0.027	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.6	162.8	-69.5	86.7	0	0	0	108.6	R303 E308 W445 H447 L524 A525 Y544	R303-W378 VanDerWaalsContact CZ-CH2 3.42Å; R303-W378 VanDerWaalsContact NH1-CZ2 3.33Å; E308-W378 VanDerWaalsContact CD-NE1 3.3Å; E308-W378 PolarHBondContact OE1-NE1 2.87Å; E308-W378 VanDerWaalsContact OE1-NE1 3.17Å; E308-W378 PolarHBondContact OE2-NE1 2.86Å; E308-W378 VanDerWaalsContact OE2-NE1 3.07Å; W378-W445 HydrophobicContact CB-CE3 4.05Å; W378-W445 HydrophobicContact CB-CZ3 3.92Å; W378-H447 AromaticContact CD1-CD2 3.83Å; W378-H447 HydrophobicContact CD2-CB 4.06Å; W378-H447 AromaticContact CD2-CD2 3.94Å; W378-H447 AromaticContact CE2-CD2 3.39Å; W378-H447 AromaticContact CE2-CG 3.6Å; W378-H447 HydrophobicContact CE3-CB 4.03Å; W378-H447 HydrophobicContact CH2-CB 3.52Å; W378-H447 HydrophobicContact CZ2-CB 3.47Å; W378-H447 VanDerWaalsContact CZ2-CB 3.47Å; W378-H447 AromaticContact CZ2-CD2 3.73Å; W378-H447 AromaticContact CZ2-CG 3.43Å; W378-H447 VanDerWaalsContact CZ2-CG 3.43Å; W378-H447 AromaticContact CZ2-ND1 3.93Å; W378-H447 HydrophobicContact CZ3-CB 3.79Å; W378-H447 AromaticContact NE1-CD2 3.37Å; W378-H447 PolarHBondContact NE1-CD2 3.43Å; W378-H447 AromaticContact NE1-NE2 3.71Å; W378-L524 WeakPolarHBondContact O-CA 3.31Å; W378-A525 HydrophobicContact CB-CB 4.15Å; W378-A525 WeakPolarHBondContact CB-O 3.46Å; W378-A525 PolarHBondContact N-O 2.88Å; W378-A525 PolarHBondContact O-N 2.86Å; W378-Y544 HydrophobicContact CH2-CD2 4.38Å
379	M	90.5	Very high	82.6	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	135.9	-179.1	178.8	-177.7	73.4	0	0	110.7	I391 V409 V440 H446 Y448 F520 L524	M379-I391 HydrophobicContact CE-CD1 4.47Å; M379-I391 HydrophobicContact SD-CD1 3.48Å; M379-I391 WeakPolarHBondContact SD-CD1 3.37Å; M379-I391 HydrophobicContact SD-CG1 4.12Å; M379-V409 HydrophobicContact CE-CG2 4.07Å; M379-V409 HydrophobicContact SD-CG2 4.16Å; M379-V440 HydrophobicContact CE-CG2 4.36Å; M379-H446 PolarHBondContact N-O 2.81Å; M379-H446 VanDerWaalsContact N-O 3.07Å; M379-H446 PolarHBondContact O-N 2.82Å; M379-H446 VanDerWaalsContact O-N 3.13Å; M379-Y448 HydrophobicContact CB-CD2 3.98Å; M379-Y448 HydrophobicContact CB-CE2 3.86Å; M379-Y448 HydrophobicContact CE-CD2 4.34Å; M379-Y448 HydrophobicContact CE-CE2 3.64Å; M379-F520 HydrophobicContact CG-CE2 4.34Å; M379-F520 HydrophobicContact CG-CZ 3.73Å; M379-F520 HydrophobicContact SD-CE2 3.7Å; M379-F520 HydrophobicContact SD-CZ 3.72Å; M379-L524 HydrophobicContact CB-CD2 3.89Å; M379-L524 HydrophobicContact CG-CD2 3.77Å; M379-L524 HydrophobicContact SD-CD2 4.45Å
380	R	89.1	Confident	83.9	Confident	99 Å²	99	45.1 Å²	45.1	37%	0.374	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.8	158.7	174.2	178.2	-168.8	-164.7	15.8	108.8	K443 E444 W445 G522 N523	R380-K443 WeakPolarHBondContact CG-O 3.34Å; R380-K443 PolarHBondContact NE-O 2.89Å; R380-E444 WeakPolarHBondContact CA-O 3.2Å; R380-E444 WeakPolarHBondContact CB-O 3.49Å; R380-E444 WeakPolarHBondContact CG-O 3.06Å; R380-W445 HydrophobicContact CB-CD2 3.55Å; R380-W445 VanDerWaalsContact CB-CE2 3.45Å; R380-W445 HydrophobicContact CB-CE3 4Å; R380-W445 HydrophobicContact CB-CG 3.95Å; R380-W445 HydrophobicContact CB-CH2 4.33Å; R380-W445 HydrophobicContact CB-CZ2 3.89Å; R380-W445 HydrophobicContact CB-CZ3 4.37Å; R380-W445 VanDerWaalsContact CD-NE1 3.32Å; R380-G522 WeakPolarHBondContact O-CA 3.41Å; R380-N523 HydrophobicContact CB-CB 4.46Å; R380-N523 PolarHBondContact N-O 3.01Å; R380-N523 PolarHBondContact O-N 3.42Å
381	H	90.4	Very high	85.2	Confident	12 Å²	12	39 Å²	39	6%	0.056	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	136.9	177.5	-164.6	-141.4	0	0	0	110.6	E389 V440 F520 R521	H381-E389 IonicContact CD2-OE2 2.66Å; H381-E389 IonicContact CE1-OE2 2.81Å; H381-E389 IonicContact NE2-OE2 2.64Å; H381-E389 PolarHBondContact NE2-OE2 2.7Å; H381-V440 WeakPolarHBondContact CB-O 3.18Å; H381-V440 PolarHBondContact ND1-O 2.91Å; H381-F520 AromaticContact CD2-CE2 3.74Å; H381-R521 PolarHBondContact CD2-O 3.09Å
382	G	84.1	Confident	85.8	Confident	12 Å²	12	33.4 Å²	33.4	12%	0.124	19%	0.187	C	C	.	.			trans	-73	-174.7	175.3	0	0	0	0	0	112.5	G384 R521	G382-G384 PolarHBondContact O-N 3.12Å; G382-R521 PolarHBondContact N-O 3.43Å
383	P	76.9	Confident	86	Confident	108 Å²	108	31.1 Å²	31.1	70%	0.701	17%	0.172	S	C	*	.	S	Bend	trans	-66	87	166.1	28.8	-33.3	0	0	0	109.8
384	G	62.4	Low	86.1	Confident	40 Å²	40	31.3 Å²	31.3	41%	0.412	17%	0.173	S	C	.	.			trans	-66.7	153.5	-171.2	0	0	0	0	0	114.9	G382	G382-G384 PolarHBondContact O-N 3.12Å
385	S	62.8	Low	85.9	Confident	41 Å²	41	31.1 Å²	31.1	29%	0.287	17%	0.172	S	C	.	.			trans	-79.4	174.7	164.3	66.1	0	0	0	0	110.7	D387 E389	S385-D387 PolarHBondContact O-N 2.9Å; S385-D387 WeakPolarHBondContact OG-CB 3.33Å; S385-D387 PolarHBondContact OG-N 3.42Å; S385-D387 VanDerWaalsContact OG-N 3.16Å; S385-E389 PolarHBondContact N-OE1 2.92Å; S385-E389 PolarHBondContact OG-OE1 2.9Å
386	H	69	Low	85.5	Confident	149 Å²	149	31.1 Å²	31.1	69%	0.69	17%	0.172	S	C	*	.	S	Bend	trans	-80.2	0.1	165	-73.2	-60.1	0	0	0	112.7
387	D	82.6	Confident	84.7	Confident	115 Å²	115	32.9 Å²	32.9	62%	0.615	18%	0.179	S	C	*	.	S	Bend	trans	-82.8	179	-176	-56.1	-47.5	0	0	0	111.7	S385	S385-D387 PolarHBondContact O-N 2.9Å; S385-D387 WeakPolarHBondContact OG-CB 3.33Å; S385-D387 PolarHBondContact OG-N 3.42Å; S385-D387 VanDerWaalsContact OG-N 3.16Å
388	K	89.6	Confident	83.7	Confident	50 Å²	50	35.7 Å²	35.7	22%	0.217	20%	0.196	C	C	.	.			trans	-89.1	122.4	-179.1	-175.5	-175.5	174.3	-153.2	0	110.6	Y408 Q518	K388-Y408 HydrophobicContact CD-CD2 3.93Å; K388-Y408 HydrophobicContact CD-CE2 3.97Å; K388-Y408 HydrophobicContact CD-CG 4.33Å; K388-Y408 VanDerWaalsContact CE-CD1 3.41Å; K388-Y408 VanDerWaalsContact CE-CE2 3.44Å; K388-Y408 HydrophobicContact CG-CD2 3.62Å; K388-Y408 HydrophobicContact CG-CE2 4.02Å; K388-Y408 HydrophobicContact CG-CG 4.19Å; K388-Q518 HydrophobicContact CB-CG 4.32Å; K388-Q518 HydrophobicContact CD-CG 4.22Å; K388-Q518 VanDerWaalsContact CE-OE1 3.22Å; K388-Q518 HydrophobicContact CG-CG 4.34Å; K388-Q518 WeakPolarHBondContact O-CA 3.37Å; K388-Q518 VanDerWaalsContact O-CB 3.32Å; K388-Q518 WeakPolarHBondContact O-CB 3.33Å
389	E	92.2	Very high	82.2	Confident	5 Å²	5	41.9 Å²	41.9	2%	0.023	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116.2	-174.3	-64.3	-175.7	-164.1	0	0	110	H381 S385 Y408 V409 F520	H381-E389 IonicContact CD2-OE2 2.66Å; H381-E389 IonicContact CE1-OE2 2.81Å; H381-E389 IonicContact NE2-OE2 2.64Å; H381-E389 PolarHBondContact NE2-OE2 2.7Å; S385-E389 PolarHBondContact N-OE1 2.92Å; S385-E389 PolarHBondContact OG-OE1 2.9Å; E389-Y408 CarbonylContact O-C 3.48Å; E389-Y408 WeakPolarHBondContact O-CA 3.49Å; E389-Y408 WeakPolarHBondContact O-CB 3.06Å; E389-V409 PolarHBondContact N-O 3.42Å; E389-V409 PolarHBondContact O-N 3.02Å; E389-F520 HydrophobicContact CB-CD2 4.44Å
390	T	93.4	Very high	80.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117.8	-167.1	-67.8	0	0	0	0	113.1	L392 C393 G489 A490 C491 Q518	T390-L392 WeakPolarHBondContact CG2-O 3.26Å; T390-C393 HydrophobicContact CG2-CB 3.59Å; T390-G489 CarbonylContact O-C 3.53Å; T390-G489 WeakPolarHBondContact O-CA 3.37Å; T390-A490 PolarHBondContact O-N 3.19Å; T390-C491 HydrophobicContact CG2-CB 4.14Å; T390-Q518 WeakPolarHBondContact CB-O 3.46Å; T390-Q518 PolarHBondContact N-O 3.02Å; T390-Q518 WeakPolarHBondContact OG1-CB 3.26Å; T390-Q518 PolarHBondContact OG1-OE1 2.82Å
391	I	94.4	Very high	79.8	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-49.7	175.1	-55.9	168	0	0	0	109.8	M379 L407 V409 L414 V488 G489 F520 L524	M379-I391 HydrophobicContact CE-CD1 4.47Å; M379-I391 HydrophobicContact SD-CD1 3.48Å; M379-I391 WeakPolarHBondContact SD-CD1 3.37Å; M379-I391 HydrophobicContact SD-CG1 4.12Å; I391-L407 HydrophobicContact CD1-CD2 4.27Å; I391-L407 HydrophobicContact CD1-CG 4.24Å; I391-L407 PolarHBondContact N-O 2.82Å; I391-V409 HydrophobicContact CD1-CG2 4.13Å; I391-L414 HydrophobicContact CD1-CD1 4.03Å; I391-V488 WeakPolarHBondContact O-CA 3.37Å; I391-G489 PolarHBondContact O-N 3.33Å; I391-F520 HydrophobicContact CG1-CD2 4.03Å; I391-F520 HydrophobicContact CG1-CE2 4.11Å; I391-L524 HydrophobicContact CG2-CD1 3.93Å; I391-L524 HydrophobicContact CG2-CD2 4.1Å
392	L	93.6	Very high	79.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	136.8	-175.9	-173.4	73.8	0	0	0	109.7	L324 I375 T390 Y405 S406 L407 L486 V488 L527 I529	L324-L392 HydrophobicContact CD1-CD1 3.61Å; I375-L392 HydrophobicContact CD1-CD2 3.95Å; T390-L392 WeakPolarHBondContact CG2-O 3.26Å; L392-Y405 HydrophobicContact CD2-CE2 4.06Å; L392-Y405 HydrophobicContact CG-CE2 4.46Å; L392-S406 CarbonylContact O-C 3.54Å; L392-S406 WeakPolarHBondContact O-CA 3.36Å; L392-S406 WeakPolarHBondContact O-CB 3.31Å; L392-S406 PolarHBondContact O-OG 2.87Å; L392-L407 HydrophobicContact CB-CB 4.22Å; L392-L407 PolarHBondContact N-O 3.4Å; L392-L407 VanDerWaalsContact N-O 3.1Å; L392-L407 PolarHBondContact O-N 2.91Å; L392-L486 HydrophobicContact CD1-CD1 3.65Å; L392-L486 HydrophobicContact CD1-CG 4.32Å; L392-L486 HydrophobicContact CG-CD1 4.05Å; L392-V488 HydrophobicContact CD1-CG2 3.85Å; L392-L527 HydrophobicContact CD1-CD2 4.39Å; L392-I529 HydrophobicContact CD2-CD1 3.9Å
393	C	91.9	Very high	79.4	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	130.9	174.6	149.8	0	0	0	0	111.5	T390 S395 L486 T487 C491	T390-C393 HydrophobicContact CG2-CB 3.59Å; C393-S395 PolarHBondContact SG-OG 2.91Å; C393-L486 WeakPolarHBondContact O-CA 3.28Å; C393-T487 PolarHBondContact N-O 2.91Å; C393-T487 PolarHBondContact O-N 3.3Å; C393-T487 PolarHBondContact O-OG1 3.42Å; C393-T487 VanDerWaalsContact O-OG1 3.11Å; C393-C491 HydrophobicContact CB-CB 3.55Å; C393-C491 WeakPolarHBondContact CB-SG 3.36Å; C393-C491 WeakPolarHBondContact SG-CA 3.31Å; C393-C491 WeakPolarHBondContact SG-CB 3.48Å; C393-C491 CovalentContact SG-SG 2.04Å; C393-C491 PolarHBondContact SG-SG 3.28Å
394	N	89.3	Confident	79.8	Confident	8 Å²	8	41.1 Å²	41.1	4%	0.043	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126	163.6	-169	30.4	0	0	0	109.8	H403 H404 Y405 T484 Q485 L486	N394-H403 WeakPolarHBondContact O-CA 3.44Å; N394-H404 PolarHBondContact O-N 2.95Å; N394-Y405 HydrophobicContact CB-CD1 3.68Å; N394-Y405 HydrophobicContact CB-CD2 4.17Å; N394-Y405 HydrophobicContact CB-CE1 3.3Å; N394-Y405 HydrophobicContact CB-CE2 3.82Å; N394-Y405 HydrophobicContact CB-CG 4.12Å; N394-Y405 PolarHBondContact N-O 3.12Å; N394-Y405 WeakPolarHBondContact ND2-CE1 3.4Å; N394-Y405 PolarHBondContact O-N 2.81Å; N394-T484 PolarHBondContact ND2-OG1 2.76Å; N394-T484 VanDerWaalsContact OD1-CB 3.23Å; N394-T484 WeakPolarHBondContact OD1-CB 3.45Å; N394-T484 PolarHBondContact OD1-OG1 2.89Å; N394-Q485 WeakPolarHBondContact CA-O 3.37Å; N394-Q485 PolarHBondContact OD1-N 3.5Å; N394-Q485 PolarHBondContact OD1-O 3.3Å; N394-Q485 VanDerWaalsContact OD1-O 3.13Å; N394-L486 HydrophobicContact CB-CD1 4.08Å; N394-L486 PolarHBondContact OD1-N 2.85Å
395	S	87.6	Confident	81	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	158.4	-173.2	49.5	0	0	0	0	111.8	C393 R402 T484 Q485 W492	C393-S395 PolarHBondContact SG-OG 2.91Å; S395-R402 VanDerWaalsContact CA-O 3.25Å; S395-R402 WeakPolarHBondContact CA-O 3.4Å; S395-T484 CarbonylContact O-C 3.54Å; S395-T484 VanDerWaalsContact O-CA 3.28Å; S395-T484 WeakPolarHBondContact O-CA 3.24Å; S395-Q485 PolarHBondContact N-O 3.42Å; S395-Q485 VanDerWaalsContact N-O 3.14Å; S395-Q485 PolarHBondContact O-N 3.1Å; S395-W492 WeakPolarHBondContact OG-CB 3.41Å; S395-W492 PolarHBondContact OG-O 3.48Å
396	D	84.3	Confident	82.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	137.5	177.6	-67	-31.5	0	0	0	112.3	T398 M400 R402 H404 I482	D396-T398 VanDerWaalsContact C-N 3.3Å; D396-T398 PolarHBondContact O-N 2.86Å; D396-M400 WeakPolarHBondContact OD2-CB 3.2Å; D396-R402 VanDerWaalsContact CG-NH2 3.3Å; D396-R402 PolarHBondContact N-O 3Å; D396-R402 VanDerWaalsContact N-O 3.15Å; D396-R402 IonicContact OD1-NH2 3.04Å; D396-R402 PolarHBondContact OD1-NH2 2.91Å; D396-R402 WeakPolarHBondContact OD2-CB 3.48Å; D396-R402 IonicContact OD2-CZ 3.21Å; D396-R402 PolarHBondContact OD2-N 3.37Å; D396-R402 IonicContact OD2-NE 2.73Å; D396-R402 PolarHBondContact OD2-NE 2.83Å; D396-R402 IonicContact OD2-NH2 2.81Å; D396-R402 PolarHBondContact OD2-NH2 2.71Å; D396-H404 IonicContact OD1-CD2 3.73Å; D396-H404 IonicContact OD1-CE1 3.8Å; D396-H404 IonicContact OD1-NE2 2.8Å; D396-H404 PolarHBondContact OD1-NE2 3.5Å; D396-I482 HydrophobicContact CB-CG2 3.95Å
397	K	73.8	Confident	83.7	Confident	40 Å²	40	30.9 Å²	30.9	17%	0.174	16%	0.156	C	C	.	.	S	Bend	trans	-63.6	-31.8	177	-77.8	-176.9	-168.4	172.2	0	113	D362 E483 T484 Q485 W492	D362-K397 IonicContact OD1-NZ 3.68Å; D362-K397 PolarHBondContact OD1-NZ 3.07Å; D362-K397 IonicContact OD2-NZ 2.87Å; D362-K397 PolarHBondContact OD2-NZ 3.12Å; K397-E483 WeakPolarHBondContact CB-O 3.49Å; K397-E483 HydrophobicContact CD-CB 3.78Å; K397-E483 HydrophobicContact CG-CB 4.34Å; K397-E483 WeakPolarHBondContact CG-O 3.27Å; K397-E483 PolarHBondContact N-O 2.77Å; K397-E483 IonicContact NZ-OE2 2.96Å; K397-E483 PolarHBondContact NZ-OE2 3.31Å; K397-T484 WeakPolarHBondContact CE-O 3.45Å; K397-Q485 HydrophobicContact CG-CB 3.84Å; K397-W492 PolarHBondContact O-NE1 3.41Å
398	T	70.1	Confident	84.2	Confident	60 Å²	60	26.4 Å²	26.4	37%	0.368	13%	0.13	S	C	.	.	S	Bend	trans	-142.3	161.7	-174.7	66.8	0	0	0	0	114.1	D396 M400 E494	D396-T398 VanDerWaalsContact C-N 3.3Å; D396-T398 PolarHBondContact O-N 2.86Å; T398-M400 PolarHBondContact O-N 2.92Å; T398-E494 VanDerWaalsContact CA-OE2 3.31Å; T398-E494 WeakPolarHBondContact CA-OE2 3.46Å
399	D	58.6	Low	84.4	Confident	137 Å²	137	24.1 Å²	24.1	73%	0.733	12%	0.121	S	C	*	.	S	Bend	trans	60.7	-42	166.4	-69.2	-60.2	0	0	0	118.2	E494	D399-E494 PolarHBondContact N-OE2 2.79Å
400	M	60.8	Low	84.3	Confident	101 Å²	101	27.5 Å²	27.5	50%	0.498	14%	0.136	S	C	.	.	S	Bend	trans	-112.9	-18.2	-165.3	-59	-167.2	78.7	0	0	114.4	D396 T398 R402 I482	D396-M400 WeakPolarHBondContact OD2-CB 3.2Å; T398-M400 PolarHBondContact O-N 2.92Å; M400-R402 HydrophobicContact CB-CG 3.99Å; M400-R402 PolarHBondContact O-N 3.38Å; M400-I482 HydrophobicContact CB-CD1 4.41Å; M400-I482 HydrophobicContact CG-CD1 3.81Å; M400-I482 HydrophobicContact SD-CD1 3.84Å
401	N	67.4	Low	84	Confident	33 Å²	33	31.1 Å²	31.1	18%	0.176	16%	0.156	C	C	.	.			trans	46.4	29.1	-178.5	-68.9	-29.5	0	0	0	114.3	H403 Q493 E494	N401-H403 PolarHBondContact O-CD2 2.63Å; N401-H403 VanDerWaalsContact O-CD2 3.31Å; N401-H403 PolarHBondContact O-N 3.38Å; N401-Q493 WeakPolarHBondContact ND2-CG 3.04Å; N401-E494 PolarHBondContact ND2-N 3.06Å; N401-E494 PolarHBondContact ND2-O 3.37Å; N401-E494 PolarHBondContact OD1-N 3.12Å
402	R	80.6	Confident	83.6	Confident	31 Å²	31	33.3 Å²	33.3	12%	0.117	17%	0.17	C	C	.	.			trans	-75.8	122.1	-176.7	-62.5	168.5	-58.7	146.5	21.7	108.3	S395 D396 M400 H404 L477 H478 S480	S395-R402 VanDerWaalsContact CA-O 3.25Å; S395-R402 WeakPolarHBondContact CA-O 3.4Å; D396-R402 VanDerWaalsContact CG-NH2 3.3Å; D396-R402 PolarHBondContact N-O 3Å; D396-R402 VanDerWaalsContact N-O 3.15Å; D396-R402 IonicContact OD1-NH2 3.04Å; D396-R402 PolarHBondContact OD1-NH2 2.91Å; D396-R402 WeakPolarHBondContact OD2-CB 3.48Å; D396-R402 IonicContact OD2-CZ 3.21Å; D396-R402 PolarHBondContact OD2-N 3.37Å; D396-R402 IonicContact OD2-NE 2.73Å; D396-R402 PolarHBondContact OD2-NE 2.83Å; D396-R402 IonicContact OD2-NH2 2.81Å; D396-R402 PolarHBondContact OD2-NH2 2.71Å; M400-R402 HydrophobicContact CB-CG 3.99Å; M400-R402 PolarHBondContact O-N 3.38Å; R402-H404 PolarHBondContact O-CD2 2.76Å; R402-H404 VanDerWaalsContact O-CD2 3.29Å; R402-H404 PolarHBondContact O-N 3.3Å; R402-L477 HydrophobicContact CB-CD2 4.13Å; R402-L477 HydrophobicContact CG-CD2 4.46Å; R402-H478 PolarHBondContact NH1-O 3.45Å; R402-S480 PolarHBondContact NH2-OG 3.36Å
403	H	85.4	Confident	83.5	Confident	27 Å²	27	37.6 Å²	37.6	13%	0.125	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	121.3	170.1	-51	169.2	0	0	0	108.2	N394 N401 L417 R419 C491	N394-H403 WeakPolarHBondContact O-CA 3.44Å; N401-H403 PolarHBondContact O-CD2 2.63Å; N401-H403 VanDerWaalsContact O-CD2 3.31Å; N401-H403 PolarHBondContact O-N 3.38Å; H403-L417 HydrophobicContact CB-CD2 3.73Å; H403-R419 WeakPolarHBondContact O-CD 3.29Å; H403-R419 PolarHBondContact O-NH1 3.19Å; H403-C491 PolarHBondContact NE2-SG 2.98Å; H403-C491 VanDerWaalsContact NE2-SG 3.4Å
404	H	85.4	Confident	83.6	Confident	25 Å²	25	37.7 Å²	37.7	12%	0.116	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-46.8	174.3	-70.1	-112.1	0	0	0	109.5	N394 D396 R402 R419 L477 T484	N394-H404 PolarHBondContact O-N 2.95Å; D396-H404 IonicContact OD1-CD2 3.73Å; D396-H404 IonicContact OD1-CE1 3.8Å; D396-H404 IonicContact OD1-NE2 2.8Å; D396-H404 PolarHBondContact OD1-NE2 3.5Å; R402-H404 PolarHBondContact O-CD2 2.76Å; R402-H404 VanDerWaalsContact O-CD2 3.29Å; R402-H404 PolarHBondContact O-N 3.3Å; H404-R419 PolarHBondContact O-N 2.96Å; H404-L477 HydrophobicContact CB-CD1 4.44Å; H404-T484 VanDerWaalsContact NE2-CG2 3.32Å; H404-T484 WeakPolarHBondContact NE2-CG2 3.37Å
405	Y	89	Confident	83.9	Confident	14 Å²	14	37.4 Å²	37.4	6%	0.055	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	152.3	167	61.4	-91.6	0	0	0	110.8	L369 L392 N394 L417 L486	L369-Y405 HydrophobicContact CD1-CD1 3.52Å; L369-Y405 HydrophobicContact CD1-CD2 4.36Å; L369-Y405 HydrophobicContact CD1-CE1 3.25Å; L369-Y405 HydrophobicContact CD1-CE2 4.16Å; L369-Y405 HydrophobicContact CD1-CG 4.06Å; L369-Y405 HydrophobicContact CG-CE1 4.15Å; L392-Y405 HydrophobicContact CD2-CE2 4.06Å; L392-Y405 HydrophobicContact CG-CE2 4.46Å; N394-Y405 HydrophobicContact CB-CD1 3.68Å; N394-Y405 HydrophobicContact CB-CD2 4.17Å; N394-Y405 HydrophobicContact CB-CE1 3.3Å; N394-Y405 HydrophobicContact CB-CE2 3.82Å; N394-Y405 HydrophobicContact CB-CG 4.12Å; N394-Y405 PolarHBondContact N-O 3.12Å; N394-Y405 WeakPolarHBondContact ND2-CE1 3.4Å; N394-Y405 PolarHBondContact O-N 2.81Å; Y405-L417 CarbonylContact C-O 3.58Å; Y405-L417 WeakPolarHBondContact CA-O 3.44Å; Y405-L417 WeakPolarHBondContact CB-O 3.45Å; Y405-L486 HydrophobicContact CE2-CD1 3.97Å; Y405-L486 WeakPolarHBondContact OH-CD1 3.14Å
406	S	92.1	Very high	84.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	136.7	173.8	179.1	0	0	0	0	111.3	L392 L417	L392-S406 CarbonylContact O-C 3.54Å; L392-S406 WeakPolarHBondContact O-CA 3.36Å; L392-S406 WeakPolarHBondContact O-CB 3.31Å; L392-S406 PolarHBondContact O-OG 2.87Å; S406-L417 PolarHBondContact N-O 3.06Å; S406-L417 PolarHBondContact O-N 2.98Å
407	L	94.8	Very high	84.6	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.1	168.2	-174.3	68.4	0	0	0	108.1	I375 I391 L392 L414 L416 L450	I375-L407 HydrophobicContact CG2-CD2 4.39Å; I391-L407 HydrophobicContact CD1-CD2 4.27Å; I391-L407 HydrophobicContact CD1-CG 4.24Å; I391-L407 PolarHBondContact N-O 2.82Å; L392-L407 HydrophobicContact CB-CB 4.22Å; L392-L407 PolarHBondContact N-O 3.4Å; L392-L407 VanDerWaalsContact N-O 3.1Å; L392-L407 PolarHBondContact O-N 2.91Å; L407-L414 HydrophobicContact CD1-CD1 3.85Å; L407-L414 HydrophobicContact CD1-CD2 4.36Å; L407-L414 HydrophobicContact CD1-CG 4.01Å; L407-L414 HydrophobicContact CG-CD1 4.16Å; L407-L416 HydrophobicContact CD1-CB 4.29Å; L407-L416 HydrophobicContact CD1-CD1 4.38Å; L407-L450 HydrophobicContact CD1-CD1 4.14Å; L407-L450 HydrophobicContact CD1-CD2 3.84Å; L407-L450 HydrophobicContact CD2-CD1 4.07Å
408	Y	94.3	Very high	85.3	Confident	21 Å²	21	36.1 Å²	36.1	8%	0.082	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	157.4	-175.8	65.4	-92	0	0	0	112.9	K388 E389 H410 I415 L417	K388-Y408 HydrophobicContact CD-CD2 3.93Å; K388-Y408 HydrophobicContact CD-CE2 3.97Å; K388-Y408 HydrophobicContact CD-CG 4.33Å; K388-Y408 VanDerWaalsContact CE-CD1 3.41Å; K388-Y408 VanDerWaalsContact CE-CE2 3.44Å; K388-Y408 HydrophobicContact CG-CD2 3.62Å; K388-Y408 HydrophobicContact CG-CE2 4.02Å; K388-Y408 HydrophobicContact CG-CG 4.19Å; E389-Y408 CarbonylContact O-C 3.48Å; E389-Y408 WeakPolarHBondContact O-CA 3.49Å; E389-Y408 WeakPolarHBondContact O-CB 3.06Å; Y408-H410 HydrophobicContact CD2-CB 4.27Å; Y408-H410 HydrophobicContact CE2-CB 4.27Å; Y408-I415 HydrophobicContact CD1-CB 4.4Å; Y408-I415 HydrophobicContact CD2-CB 4.17Å; Y408-I415 HydrophobicContact CD2-CD1 4.08Å; Y408-I415 HydrophobicContact CE1-CB 3.96Å; Y408-I415 HydrophobicContact CE1-CG2 3.87Å; Y408-I415 HydrophobicContact CE2-CB 3.71Å; Y408-I415 HydrophobicContact CE2-CD1 3.76Å; Y408-I415 HydrophobicContact CE2-CG1 3.96Å; Y408-I415 HydrophobicContact CE2-CG2 4.2Å; Y408-I415 PolarHBondContact N-O 2.9Å; Y408-I415 PolarHBondContact O-N 3.32Å; Y408-I415 WeakPolarHBondContact OH-CG2 3.44Å; Y408-L417 HydrophobicContact CE1-CB 4.26Å
409	V	93.2	Very high	86	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	139.6	173.5	172.3	0	0	0	0	109.2	M379 E389 I391 R413 L414 V440	M379-V409 HydrophobicContact CE-CG2 4.07Å; M379-V409 HydrophobicContact SD-CG2 4.16Å; E389-V409 PolarHBondContact N-O 3.42Å; E389-V409 PolarHBondContact O-N 3.02Å; I391-V409 HydrophobicContact CD1-CG2 4.13Å; V409-R413 WeakPolarHBondContact CA-O 2.9Å; V409-L414 HydrophobicContact CG2-CD1 4.17Å; V409-V440 HydrophobicContact CB-CG1 4.33Å; V409-V440 HydrophobicContact CG1-CG1 3.45Å; V409-V440 VanDerWaalsContact CG1-CG1 3.45Å; V409-V440 HydrophobicContact CG2-CG1 3.9Å
410	H	90.8	Very high	86.9	Confident	75 Å²	75	31.9 Å²	31.9	35%	0.347	15%	0.149	S	C	.	.			trans	-156.1	116.8	172.4	173.8	-95.2	0	0	0	110.6	Y408 R413 I415	Y408-H410 HydrophobicContact CD2-CB 4.27Å; Y408-H410 HydrophobicContact CE2-CB 4.27Å; H410-R413 PolarHBondContact N-O 2.98Å; H410-R413 WeakPolarHBondContact O-CB 3.3Å; H410-R413 PolarHBondContact O-N 2.99Å; H410-I415 HydrophobicContact CB-CD1 4.06Å
411	N	86.6	Confident	87.3	Confident	77 Å²	77	30.2 Å²	30.2	41%	0.412	14%	0.142	S	C	.	.	S	Bend	trans	53.5	56.8	175.6	-165.7	28.4	0	0	0	114	R413	N411-R413 VanDerWaalsContact C-N 3.31Å; N411-R413 PolarHBondContact O-N 3.09Å
412	C	87.2	Confident	87.2	Confident	46 Å²	46	31.5 Å²	31.5	31%	0.311	15%	0.153	S	C	.	.	S	Bend	trans	54.8	41.7	-177.5	-51.3	0	0	0	0	114	C441	C412-C441 WeakPolarHBondContact CA-SG 3.42Å; C412-C441 HydrophobicContact CB-CB 3.88Å; C412-C441 WeakPolarHBondContact CB-SG 3.34Å; C412-C441 WeakPolarHBondContact SG-CB 3.45Å; C412-C441 CovalentContact SG-SG 2.04Å; C412-C441 PolarHBondContact SG-SG 2.69Å
413	R	90.8	Very high	86.3	Confident	91 Å²	91	32.1 Å²	32.1	34%	0.343	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	144.2	172.9	-59.6	175.9	-168.3	-176.9	1	109.2	V409 H410 N411 I415 W435	V409-R413 WeakPolarHBondContact CA-O 2.9Å; H410-R413 PolarHBondContact N-O 2.98Å; H410-R413 WeakPolarHBondContact O-CB 3.3Å; H410-R413 PolarHBondContact O-N 2.99Å; N411-R413 VanDerWaalsContact C-N 3.31Å; N411-R413 PolarHBondContact O-N 3.09Å; R413-I415 HydrophobicContact CB-CD1 3.74Å; R413-W435 WeakPolarHBondContact CA-O 3.34Å; R413-W435 VanDerWaalsContact CB-O 3.28Å; R413-W435 WeakPolarHBondContact CB-O 3.35Å
414	L	94.6	Very high	85	Confident	1 Å²	1	41 Å²	41	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.8	164.7	-171.4	66.7	0	0	0	107.7	I391 L407 V409 W435 L437 V440 Y448 L459	I391-L414 HydrophobicContact CD1-CD1 4.03Å; L407-L414 HydrophobicContact CD1-CD1 3.85Å; L407-L414 HydrophobicContact CD1-CD2 4.36Å; L407-L414 HydrophobicContact CD1-CG 4.01Å; L407-L414 HydrophobicContact CG-CD1 4.16Å; V409-L414 HydrophobicContact CG2-CD1 4.17Å; L414-W435 PolarHBondContact N-O 3.32Å; L414-W435 PolarHBondContact O-N 3.29Å; L414-L437 HydrophobicContact CB-CD1 3.85Å; L414-L437 HydrophobicContact CD2-CD1 4.26Å; L414-V440 HydrophobicContact CB-CG2 4.36Å; L414-Y448 HydrophobicContact CD2-CD1 3.74Å; L414-Y448 HydrophobicContact CD2-CE1 4.24Å; L414-L459 HydrophobicContact CD2-CD1 4.08Å; L414-L459 HydrophobicContact CD2-CD2 4.13Å
415	I	95.1	Very high	83.9	Confident	2 Å²	2	42 Å²	42	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.6	178.1	-54.5	84.7	0	0	0	109.3	Y408 H410 R413 E432 F433	Y408-I415 HydrophobicContact CD1-CB 4.4Å; Y408-I415 HydrophobicContact CD2-CB 4.17Å; Y408-I415 HydrophobicContact CD2-CD1 4.08Å; Y408-I415 HydrophobicContact CE1-CB 3.96Å; Y408-I415 HydrophobicContact CE1-CG2 3.87Å; Y408-I415 HydrophobicContact CE2-CB 3.71Å; Y408-I415 HydrophobicContact CE2-CD1 3.76Å; Y408-I415 HydrophobicContact CE2-CG1 3.96Å; Y408-I415 HydrophobicContact CE2-CG2 4.2Å; Y408-I415 PolarHBondContact N-O 2.9Å; Y408-I415 PolarHBondContact O-N 3.32Å; Y408-I415 WeakPolarHBondContact OH-CG2 3.44Å; H410-I415 HydrophobicContact CB-CD1 4.06Å; R413-I415 HydrophobicContact CB-CD1 3.74Å; I415-E432 HydrophobicContact CG2-CB 4.49Å; I415-F433 WeakPolarHBondContact CA-O 3.33Å
416	L	94.6	Very high	82.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	116.3	165.7	178.3	68	0	0	0	109	L407 E432 F433 W435 L450 V452 V457	L407-L416 HydrophobicContact CD1-CB 4.29Å; L407-L416 HydrophobicContact CD1-CD1 4.38Å; L416-E432 WeakPolarHBondContact O-CA 3.44Å; L416-F433 PolarHBondContact N-O 3.4Å; L416-F433 PolarHBondContact O-N 2.93Å; L416-W435 HydrophobicContact CB-CH2 4.27Å; L416-W435 HydrophobicContact CB-CZ3 3.88Å; L416-L450 HydrophobicContact CB-CD2 4.04Å; L416-L450 HydrophobicContact CD2-CD2 3.93Å; L416-L450 HydrophobicContact CG-CD2 4.39Å; L416-V452 HydrophobicContact CD2-CG2 3.92Å; L416-V457 HydrophobicContact CD2-CG1 3.95Å; L416-V457 HydrophobicContact CD2-CG2 4.11Å
417	L	91.4	Very high	82.1	Confident	5 Å²	5	54.1 Å²	54.1	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129	163	174.1	68.3	0	0	0	108.5	H403 Y405 S406 Y408 R419 A431 E432	H403-L417 HydrophobicContact CB-CD2 3.73Å; Y405-L417 CarbonylContact C-O 3.58Å; Y405-L417 WeakPolarHBondContact CA-O 3.44Å; Y405-L417 WeakPolarHBondContact CB-O 3.45Å; S406-L417 PolarHBondContact N-O 3.06Å; S406-L417 PolarHBondContact O-N 2.98Å; Y408-L417 HydrophobicContact CE1-CB 4.26Å; L417-R419 HydrophobicContact CD1-CG 4.01Å; L417-R419 HydrophobicContact CG-CG 4.5Å; L417-A431 CarbonylContact C-O 3.53Å; L417-A431 WeakPolarHBondContact CA-O 3.38Å; L417-E432 HydrophobicContact CB-CG 4.47Å; L417-E432 HydrophobicContact CD1-CG 3.62Å
418	L	89.4	Confident	81.3	Confident	9 Å²	9	60.1 Å²	60.1	5%	0.047	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	92.8	176	178.5	63.2	0	0	0	109.2	F373 A431 V452 F454	F373-L418 HydrophobicContact CE1-CD1 4.46Å; F373-L418 HydrophobicContact CZ-CD1 4.3Å; L418-A431 PolarHBondContact N-O 3.03Å; L418-V452 HydrophobicContact CD2-CG1 3.69Å; L418-F454 HydrophobicContact CD2-CD2 4.31Å
419	R	84.6	Confident	80.7	Confident	70 Å²	70	61.5 Å²	61.5	26%	0.264	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-81.7	141.3	175.2	-67.6	-165	169.7	112	-1	110.9	H403 H404 L417 D474 L477	H403-R419 WeakPolarHBondContact O-CD 3.29Å; H403-R419 PolarHBondContact O-NH1 3.19Å; H404-R419 PolarHBondContact O-N 2.96Å; L417-R419 HydrophobicContact CD1-CG 4.01Å; L417-R419 HydrophobicContact CG-CG 4.5Å; R419-D474 IonicContact CZ-OD2 3.38Å; R419-D474 IonicContact NE-OD2 2.78Å; R419-D474 PolarHBondContact NE-OD2 3.03Å; R419-D474 IonicContact NH2-OD2 3.25Å; R419-D474 PolarHBondContact NH2-OD2 2.77Å; R419-L477 HydrophobicContact CB-CD1 3.93Å; R419-L477 HydrophobicContact CB-CD2 4.38Å; R419-L477 HydrophobicContact CB-CG 3.88Å
420	Q	76.6	Confident	80.3	Confident	38 Å²	38	62.7 Å²	62.7	18%	0.178	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-83.4	142.6	-178	-70.5	-69	-59.4	0	0	111.6	K429 F454 P476 L477	Q420-K429 HydrophobicContact CB-CD 4.21Å; Q420-K429 HydrophobicContact CG-CB 4.48Å; Q420-K429 HydrophobicContact CG-CD 3.86Å; Q420-F454 HydrophobicContact CG-CE1 4.45Å; Q420-F454 HydrophobicContact CG-CE2 3.89Å; Q420-F454 HydrophobicContact CG-CZ 3.83Å; Q420-F454 VanDerWaalsContact NE2-CD2 3.3Å; Q420-P476 HydrophobicContact CB-CB 4.35Å; Q420-L477 PolarHBondContact O-N 3.01Å
421	D	69	Low	80.2	Confident	66 Å²	66	59.3 Å²	59.3	35%	0.353	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-59	159.4	168.6	-120	16.6	0	0	0	111.4	K370 S423	K370-D421 WeakPolarHBondContact CE-OD2 3.31Å; K370-D421 IonicContact NZ-OD2 2.61Å; K370-D421 PolarHBondContact NZ-OD2 3.37Å; D421-S423 PolarHBondContact O-N 3.18Å; D421-S423 VanDerWaalsContact O-N 3.08Å
422	P	65.8	Low	80.4	Confident	60 Å²	60	58 Å²	58	39%	0.39	29%	0.291	S	S	.	.			trans	-61.6	116	-173.3	-12.6	21.9	0	0	0	111.8	L477 P479	P422-L477 WeakPolarHBondContact CA-O 3.35Å; P422-L477 WeakPolarHBondContact CB-O 3.34Å; P422-L477 VanDerWaalsContact CG-O 3.29Å; P422-L477 WeakPolarHBondContact CG-O 3.48Å; P422-P479 HydrophobicContact CB-CB 4.32Å; P422-P479 HydrophobicContact CB-CG 3.64Å; P422-P479 HydrophobicContact CG-CB 3.99Å; P422-P479 HydrophobicContact CG-CG 3.85Å
423	S	62.6	Low	80.8	Confident	44 Å²	44	56.1 Å²	56.1	31%	0.308	28%	0.277	S	S	.	.			trans	-106.9	148.7	173.2	57.9	0	0	0	0	111.5	D421 A425 K429	D421-S423 PolarHBondContact O-N 3.18Å; D421-S423 VanDerWaalsContact O-N 3.08Å; S423-A425 PolarHBondContact O-N 2.87Å; S423-A425 PolarHBondContact OG-O 2.93Å; S423-K429 PolarHBondContact OG-NZ 3.46Å
424	E	56.4	Low	81	Confident	213 Å²	213	53 Å²	53	100%	0.995	27%	0.266	S	S	*	.	S	Bend	trans	-59.7	-15.3	-179.8	-61.2	-174.2	159	0	0	114.5
425	A	62.4	Low	81	Confident	47 Å²	47	53 Å²	53	39%	0.388	27%	0.267	S	S	.	.	S	Bend	trans	-104.9	121.7	173.4	0	0	0	0	0	111.5	S423 N427	S423-A425 PolarHBondContact O-N 2.87Å; S423-A425 PolarHBondContact OG-O 2.93Å; A425-N427 PolarHBondContact O-N 2.58Å
426	E	66.3	Low	80.8	Confident	158 Å²	158	59.8 Å²	59.8	74%	0.738	30%	0.296	S	S	*	.			trans	-78.4	46	172.9	-61.4	-175.4	159	0	0	112.3	Y475	E426-Y475 WeakPolarHBondContact O-CE1 3.21Å
427	N	77.4	Confident	80.7	Confident	109 Å²	109	59.9 Å²	59.9	58%	0.583	30%	0.297	S	S	*	.			trans	-91.4	142.5	176	-68.2	-13.9	0	0	0	110.2	A425	A425-N427 PolarHBondContact O-N 2.58Å
428	Y	78.3	Confident	80.5	Confident	127 Å²	127	65.1 Å²	65.1	50%	0.498	32%	0.324	S	S	.	.			trans	-53.4	139.8	166.6	-71.9	-87.2	0	0	0	110.5	E473 Y475	Y428-E473 WeakPolarHBondContact CB-OE2 3.5Å; Y428-E473 HydrophobicContact CD1-CB 4.34Å; Y428-Y475 HydrophobicContact CD1-CE2 4.43Å; Y428-Y475 AromaticContact CE1-CD2 3.98Å; Y428-Y475 HydrophobicContact CE1-CD2 3.98Å; Y428-Y475 AromaticContact CE1-CE2 3.6Å; Y428-Y475 HydrophobicContact CE1-CE2 3.6Å; Y428-Y475 HydrophobicContact CE2-CE1 4.47Å; Y428-Y475 HydrophobicContact CE2-CE2 4.06Å; Y428-Y475 AromaticContact CE2-CZ 3.75Å; Y428-Y475 WeakPolarHBondContact CE2-OH 3.26Å; Y428-Y475 AromaticContact CZ-CE2 3.38Å; Y428-Y475 AromaticContact CZ-CZ 3.57Å; Y428-Y475 VanDerWaalsContact OH-CE2 3.25Å; Y428-Y475 WeakPolarHBondContact OH-CE2 3.49Å; Y428-Y475 PolarHBondContact OH-OH 3.47Å
429	K	81.3	Confident	80.5	Confident	50 Å²	50	67.1 Å²	67.1	22%	0.217	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	146.8	178.7	-75.2	-178.5	-175.3	170.4	0	109.8	Q420 S423 A431 F454 E473 D474 P476	Q420-K429 HydrophobicContact CB-CD 4.21Å; Q420-K429 HydrophobicContact CG-CB 4.48Å; Q420-K429 HydrophobicContact CG-CD 3.86Å; S423-K429 PolarHBondContact OG-NZ 3.46Å; K429-A431 PolarHBondContact O-N 3.35Å; K429-F454 HydrophobicContact CB-CZ 4.17Å; K429-F454 HydrophobicContact CD-CZ 4.15Å; K429-F454 HydrophobicContact CG-CZ 4.45Å; K429-E473 CarbonylContact O-C 3.18Å; K429-E473 WeakPolarHBondContact O-CA 3.37Å; K429-E473 WeakPolarHBondContact O-CB 3.45Å; K429-D474 PolarHBondContact N-O 3.03Å; K429-D474 PolarHBondContact O-N 2.97Å; K429-P476 HydrophobicContact CD-CG 4.33Å
430	P	85.9	Confident	80.8	Confident	29 Å²	29	63.8 Å²	63.8	19%	0.188	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.1	126.3	169.5	-31.3	38.6	0	0	0	111.5	F433 F454 P455 V471	P430-F433 HydrophobicContact CB-CE1 4.31Å; P430-F433 HydrophobicContact CB-CE2 4.47Å; P430-F433 HydrophobicContact CB-CZ 3.74Å; P430-F454 WeakPolarHBondContact O-CE2 3.5Å; P430-P455 HydrophobicContact CG-CB 4.2Å; P430-V471 HydrophobicContact CB-CG1 3.8Å; P430-V471 HydrophobicContact CG-CG1 4.45Å
431	A	87.2	Confident	81.3	Confident	4 Å²	4	64.3 Å²	64.3	3%	0.033	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	-32.9	-171.8	0	0	0	0	0	113.2	L417 L418 K429 T472 D474	L417-A431 CarbonylContact C-O 3.53Å; L417-A431 WeakPolarHBondContact CA-O 3.38Å; L418-A431 PolarHBondContact N-O 3.03Å; K429-A431 PolarHBondContact O-N 3.35Å; A431-T472 PolarHBondContact N-O 2.67Å; A431-D474 HydrophobicContact CB-CB 3.37Å
432	E	92.4	Very high	82.1	Confident	50 Å²	50	64.4 Å²	64.4	23%	0.234	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.2	170.4	-63.6	-171.5	176.1	0	0	111.5	I415 L416 L417 H434 V471 T472	I415-E432 HydrophobicContact CG2-CB 4.49Å; L416-E432 WeakPolarHBondContact O-CA 3.44Å; L417-E432 HydrophobicContact CB-CG 4.47Å; L417-E432 HydrophobicContact CD1-CG 3.62Å; E432-H434 IonicContact OE2-CE1 3.54Å; E432-H434 IonicContact OE2-NE2 2.86Å; E432-H434 PolarHBondContact OE2-NE2 2.85Å; E432-V471 CarbonylContact O-C 3.51Å; E432-V471 VanDerWaalsContact O-CA 3.27Å; E432-V471 WeakPolarHBondContact O-CA 3.21Å; E432-T472 PolarHBondContact N-O 3.18Å; E432-T472 PolarHBondContact O-N 3.5Å
433	F	94.6	Very high	83.1	Confident	6 Å²	6	66.8 Å²	66.8	3%	0.026	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.8	177.5	-58.4	-98.8	0	0	0	108.4	I415 L416 P430 W435 P455 V457 P468 V471	I415-F433 WeakPolarHBondContact CA-O 3.33Å; L416-F433 PolarHBondContact N-O 3.4Å; L416-F433 PolarHBondContact O-N 2.93Å; P430-F433 HydrophobicContact CB-CE1 4.31Å; P430-F433 HydrophobicContact CB-CE2 4.47Å; P430-F433 HydrophobicContact CB-CZ 3.74Å; F433-W435 HydrophobicContact CB-CH2 3.38Å; F433-W435 HydrophobicContact CB-CZ2 4.06Å; F433-W435 HydrophobicContact CB-CZ3 3.65Å; F433-W435 HydrophobicContact CG-CH2 4.31Å; F433-W435 VanDerWaalsContact O-CZ3 3.28Å; F433-W435 WeakPolarHBondContact O-CZ3 3.32Å; F433-P455 WeakPolarHBondContact CZ-O 3.35Å; F433-V457 HydrophobicContact CD1-CB 4.05Å; F433-V457 HydrophobicContact CD1-CG2 3.96Å; F433-V457 HydrophobicContact CD2-CG2 3.92Å; F433-V457 HydrophobicContact CE1-CB 4.24Å; F433-V457 HydrophobicContact CE1-CG2 3.81Å; F433-V457 HydrophobicContact CE2-CG2 3.78Å; F433-V457 HydrophobicContact CG-CB 4.27Å; F433-V457 HydrophobicContact CG-CG2 4.02Å; F433-V457 HydrophobicContact CZ-CG2 3.72Å; F433-P468 HydrophobicContact CB-CB 4.48Å; F433-P468 HydrophobicContact CD1-CG 4.43Å; F433-V471 HydrophobicContact CD1-CG1 3.98Å; F433-V471 HydrophobicContact CD1-CG2 3.77Å; F433-V471 HydrophobicContact CE1-CG1 3.83Å; F433-V471 HydrophobicContact CE1-CG2 4.18Å; F433-V471 HydrophobicContact CZ-CG1 4.33Å
434	H	94.5	Very high	84.1	Confident	24 Å²	24	70.8 Å²	70.8	11%	0.111	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.9	-172.4	-68.5	-121.4	0	0	0	110.8	E432 P468 F469 M470	E432-H434 IonicContact OE2-CE1 3.54Å; E432-H434 IonicContact OE2-NE2 2.86Å; E432-H434 PolarHBondContact OE2-NE2 2.85Å; H434-P468 CarbonylContact O-C 3.6Å; H434-P468 WeakPolarHBondContact O-CA 3.25Å; H434-F469 HydrophobicContact CB-CD1 4.28Å; H434-F469 HydrophobicContact CB-CE1 3.57Å; H434-F469 HydrophobicContact CB-CZ 3.74Å; H434-F469 WeakPolarHBondContact O-CD1 3.37Å; H434-F469 WeakPolarHBondContact O-CE1 3.44Å; H434-F469 PolarHBondContact O-N 3.32Å; H434-M470 HydrophobicContact CB-CB 4.27Å; H434-M470 PolarHBondContact N-O 3.5Å
435	W	95.4	Very high	85.5	Confident	3 Å²	3	62.3 Å²	62.3	1%	0.011	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	134	171.8	-61.8	-93.7	0	0	0	110.3	R413 L414 L416 F433 L437 L450 V457 L459 F466 P468	R413-W435 WeakPolarHBondContact CA-O 3.34Å; R413-W435 VanDerWaalsContact CB-O 3.28Å; R413-W435 WeakPolarHBondContact CB-O 3.35Å; L414-W435 PolarHBondContact N-O 3.32Å; L414-W435 PolarHBondContact O-N 3.29Å; L416-W435 HydrophobicContact CB-CH2 4.27Å; L416-W435 HydrophobicContact CB-CZ3 3.88Å; F433-W435 HydrophobicContact CB-CH2 3.38Å; F433-W435 HydrophobicContact CB-CZ2 4.06Å; F433-W435 HydrophobicContact CB-CZ3 3.65Å; F433-W435 HydrophobicContact CG-CH2 4.31Å; F433-W435 VanDerWaalsContact O-CZ3 3.28Å; F433-W435 WeakPolarHBondContact O-CZ3 3.32Å; W435-L437 HydrophobicContact CB-CD1 3.93Å; W435-L437 HydrophobicContact CB-CD2 4.2Å; W435-L437 HydrophobicContact CB-CG 3.89Å; W435-L450 HydrophobicContact CH2-CD2 4.11Å; W435-L450 HydrophobicContact CZ3-CD2 4.16Å; W435-V457 HydrophobicContact CH2-CB 4.22Å; W435-V457 HydrophobicContact CH2-CG1 3.67Å; W435-V457 HydrophobicContact CZ2-CB 4.32Å; W435-V457 HydrophobicContact CZ2-CG1 3.94Å; W435-L459 HydrophobicContact CB-CD2 4.02Å; W435-L459 HydrophobicContact CD2-CB 4.22Å; W435-L459 HydrophobicContact CD2-CD2 3.76Å; W435-L459 HydrophobicContact CE3-CD2 4.39Å; W435-L459 HydrophobicContact CG-CD2 3.56Å; W435-L459 HydrophobicContact CZ2-CB 3.87Å; W435-F466 PolarHBondContact NE1-O 3.24Å; W435-P468 HydrophobicContact CD2-CB 4.41Å; W435-P468 HydrophobicContact CZ2-CB 4.13Å; W435-P468 HydrophobicContact CZ2-CG 4.47Å
436	K	91.9	Very high	86.6	Confident	143 Å²	143	60.7 Å²	60.7	62%	0.622	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	117.4	169.4	-171.9	-161.7	172.3	-151.3	0	107.1	F469	K436-F469 HydrophobicContact CB-CD1 4.09Å; K436-F469 HydrophobicContact CB-CE1 4.09Å
437	L	90.7	Very high	87.7	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.016	26%	0.255	C	S	.	.			trans	-136.3	128.5	-169.6	-57.4	167.5	0	0	0	107.5	L414 W435 Q439 V440 Y448 L459 V461 F466	L414-L437 HydrophobicContact CB-CD1 3.85Å; L414-L437 HydrophobicContact CD2-CD1 4.26Å; W435-L437 HydrophobicContact CB-CD1 3.93Å; W435-L437 HydrophobicContact CB-CD2 4.2Å; W435-L437 HydrophobicContact CB-CG 3.89Å; L437-Q439 VanDerWaalsContact C-N 3.29Å; L437-V440 HydrophobicContact CB-CB 4.49Å; L437-V440 HydrophobicContact CB-CG2 3.82Å; L437-V440 HydrophobicContact CD1-CG2 4Å; L437-V440 PolarHBondContact O-N 3.32Å; L437-Y448 HydrophobicContact CD1-CE1 4.08Å; L437-L459 HydrophobicContact CD1-CD2 3.71Å; L437-L459 HydrophobicContact CD2-CD2 4.38Å; L437-V461 HydrophobicContact CD1-CG2 4.13Å; L437-V461 HydrophobicContact CD2-CG2 4.26Å; L437-F466 HydrophobicContact CD2-CB 4.35Å; L437-F466 HydrophobicContact CD2-CD1 3.59Å; L437-F466 HydrophobicContact CD2-CD2 4.48Å; L437-F466 HydrophobicContact CD2-CE1 3.93Å; L437-F466 HydrophobicContact CD2-CG 3.89Å
438	D	88.8	Confident	88.5	Confident	114 Å²	114	48.1 Å²	48.1	61%	0.61	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-74.8	-28.5	178	-60.9	-37	0	0	0	110.1	V440 C441 D442	D438-V440 PolarHBondContact O-N 2.77Å; D438-C441 PolarHBondContact O-N 3.16Å; D438-D442 PolarHBondContact O-N 2.78Å
439	Q	89.2	Confident	89.2	Confident	52 Å²	52	42.2 Å²	42.2	24%	0.243	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-54.4	-17.5	170.9	-65.3	82.3	3.8	0	0	115.2	L437 C441 D442 H446 Y448 V461	L437-Q439 VanDerWaalsContact C-N 3.29Å; Q439-C441 VanDerWaalsContact C-N 3.33Å; Q439-D442 VanDerWaalsContact CA-OD2 3.31Å; Q439-D442 WeakPolarHBondContact CA-OD2 3.3Å; Q439-H446 HydrophobicContact CB-CB 4.43Å; Q439-H446 PolarHBondContact O-CD2 3.09Å; Q439-Y448 VanDerWaalsContact C-OH 3.27Å; Q439-Y448 PolarHBondContact O-OH 3.34Å; Q439-V461 HydrophobicContact CB-CG1 4.24Å; Q439-V461 HydrophobicContact CG-CG1 4.08Å
440	V	89.4	Confident	89.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-84.1	-12.7	177.3	172.8	0	0	0	0	111.1	M379 H381 V409 L414 L437 D438 Y448	M379-V440 HydrophobicContact CE-CG2 4.36Å; H381-V440 WeakPolarHBondContact CB-O 3.18Å; H381-V440 PolarHBondContact ND1-O 2.91Å; V409-V440 HydrophobicContact CB-CG1 4.33Å; V409-V440 HydrophobicContact CG1-CG1 3.45Å; V409-V440 VanDerWaalsContact CG1-CG1 3.45Å; V409-V440 HydrophobicContact CG2-CG1 3.9Å; L414-V440 HydrophobicContact CB-CG2 4.36Å; L437-V440 HydrophobicContact CB-CB 4.49Å; L437-V440 HydrophobicContact CB-CG2 3.82Å; L437-V440 HydrophobicContact CD1-CG2 4Å; L437-V440 PolarHBondContact O-N 3.32Å; D438-V440 PolarHBondContact O-N 2.77Å; V440-Y448 HydrophobicContact CG2-CE1 4.14Å
441	C	87.1	Confident	90.1	Very high	48 Å²	48	39.2 Å²	39.2	32%	0.324	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.7	-1.9	-170	-84	0	0	0	0	116.2	C412 D438 Q439 K443	C412-C441 WeakPolarHBondContact CA-SG 3.42Å; C412-C441 HydrophobicContact CB-CB 3.88Å; C412-C441 WeakPolarHBondContact CB-SG 3.34Å; C412-C441 WeakPolarHBondContact SG-CB 3.45Å; C412-C441 CovalentContact SG-SG 2.04Å; C412-C441 PolarHBondContact SG-SG 2.69Å; D438-C441 PolarHBondContact O-N 3.16Å; Q439-C441 VanDerWaalsContact C-N 3.33Å; C441-K443 VanDerWaalsContact C-N 3.3Å
442	D	87.3	Confident	90.3	Very high	69 Å²	69	39.1 Å²	39.1	37%	0.369	19%	0.188	S	C	.	.	S	Bend	trans	-73.5	-20.4	171.7	50.9	23.3	0	0	0	113.6	D438 Q439 E444 H446	D438-D442 PolarHBondContact O-N 2.78Å; Q439-D442 VanDerWaalsContact CA-OD2 3.31Å; Q439-D442 WeakPolarHBondContact CA-OD2 3.3Å; D442-E444 PolarHBondContact OD1-N 2.81Å; D442-H446 IonicContact OD1-CD2 3.94Å; D442-H446 IonicContact OD1-NE2 3.66Å; D442-H446 PolarHBondContact OD1-NE2 2.97Å; D442-H446 IonicContact OD2-CE1 2.6Å; D442-H446 IonicContact OD2-NE2 2.67Å; D442-H446 PolarHBondContact OD2-NE2 3.29Å
443	K	86.2	Confident	90.2	Very high	109 Å²	109	41.9 Å²	41.9	47%	0.474	20%	0.202	S	C	.	.			trans	72.9	25.2	-177.2	-45.7	161.6	-172.3	166.3	0	113.1	R380 C441	R380-K443 WeakPolarHBondContact CG-O 3.34Å; R380-K443 PolarHBondContact NE-O 2.89Å; C441-K443 VanDerWaalsContact C-N 3.3Å
444	E	84.1	Confident	89.5	Confident	128 Å²	128	45.2 Å²	45.2	60%	0.598	22%	0.216	S	C	*	.			trans	-94.7	-178.9	170.3	-59.5	-163.9	168.5	0	0	110.8	R380 D442	R380-E444 WeakPolarHBondContact CA-O 3.2Å; R380-E444 WeakPolarHBondContact CB-O 3.49Å; R380-E444 WeakPolarHBondContact CG-O 3.06Å; D442-E444 PolarHBondContact OD1-N 2.81Å
445	W	84.4	Confident	89	Confident	35 Å²	35	47.5 Å²	47.5	13%	0.133	23%	0.233	C	C	.	.			trans	-100.4	123.6	-179.2	-85	100.1	0	0	0	110.3	G298 V349 W378 R380 N523 A525	G298-W445 WeakPolarHBondContact O-CZ2 3.33Å; G298-W445 PolarHBondContact O-NE1 3.27Å; V349-W445 HydrophobicContact CG1-CH2 3.97Å; V349-W445 HydrophobicContact CG1-CZ2 3.9Å; W378-W445 HydrophobicContact CB-CE3 4.05Å; W378-W445 HydrophobicContact CB-CZ3 3.92Å; R380-W445 HydrophobicContact CB-CD2 3.55Å; R380-W445 VanDerWaalsContact CB-CE2 3.45Å; R380-W445 HydrophobicContact CB-CE3 4Å; R380-W445 HydrophobicContact CB-CG 3.95Å; R380-W445 HydrophobicContact CB-CH2 4.33Å; R380-W445 HydrophobicContact CB-CZ2 3.89Å; R380-W445 HydrophobicContact CB-CZ3 4.37Å; R380-W445 VanDerWaalsContact CD-NE1 3.32Å; W445-N523 HydrophobicContact CH2-CB 3.42Å; W445-N523 VanDerWaalsContact CH2-CB 3.42Å; W445-N523 HydrophobicContact CZ2-CB 3.32Å; W445-A525 HydrophobicContact CH2-CB 4.38Å; W445-A525 HydrophobicContact CZ3-CB 4.28Å
446	H	87.3	Confident	88.6	Confident	13 Å²	13	51.3 Å²	51.3	6%	0.06	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.4	-179.3	-60	-76.5	0	0	0	111.8	M379 Q439 D442 Y448 V461 D462	M379-H446 PolarHBondContact N-O 2.81Å; M379-H446 VanDerWaalsContact N-O 3.07Å; M379-H446 PolarHBondContact O-N 2.82Å; M379-H446 VanDerWaalsContact O-N 3.13Å; Q439-H446 HydrophobicContact CB-CB 4.43Å; Q439-H446 PolarHBondContact O-CD2 3.09Å; D442-H446 IonicContact OD1-CD2 3.94Å; D442-H446 IonicContact OD1-NE2 3.66Å; D442-H446 PolarHBondContact OD1-NE2 2.97Å; D442-H446 IonicContact OD2-CE1 2.6Å; D442-H446 IonicContact OD2-NE2 2.67Å; D442-H446 PolarHBondContact OD2-NE2 3.29Å; H446-Y448 HydrophobicContact CB-CD2 4.32Å; H446-Y448 HydrophobicContact CB-CE2 3.53Å; H446-Y448 WeakPolarHBondContact O-CD2 3.34Å; H446-V461 HydrophobicContact CB-CG1 4.11Å; H446-D462 WeakPolarHBondContact CA-OD1 3.49Å; H446-D462 IonicContact CE1-OD2 3.39Å; H446-D462 IonicContact CG-OD2 3.84Å; H446-D462 IonicContact ND1-OD1 2.99Å; H446-D462 IonicContact ND1-OD2 3.95Å; H446-D462 PolarHBondContact ND1-OD2 2.93Å
447	H	88.7	Confident	88.6	Confident	1 Å²	1	45 Å²	45	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.8	175.8	-168.1	-148.9	0	0	0	110.7	S376 W378 V449 V461 D462	S376-H447 PolarHBondContact OG-NE2 3.4Å; W378-H447 AromaticContact CD1-CD2 3.83Å; W378-H447 HydrophobicContact CD2-CB 4.06Å; W378-H447 AromaticContact CD2-CD2 3.94Å; W378-H447 AromaticContact CE2-CD2 3.39Å; W378-H447 AromaticContact CE2-CG 3.6Å; W378-H447 HydrophobicContact CE3-CB 4.03Å; W378-H447 HydrophobicContact CH2-CB 3.52Å; W378-H447 HydrophobicContact CZ2-CB 3.47Å; W378-H447 VanDerWaalsContact CZ2-CB 3.47Å; W378-H447 AromaticContact CZ2-CD2 3.73Å; W378-H447 AromaticContact CZ2-CG 3.43Å; W378-H447 VanDerWaalsContact CZ2-CG 3.43Å; W378-H447 AromaticContact CZ2-ND1 3.93Å; W378-H447 HydrophobicContact CZ3-CB 3.79Å; W378-H447 AromaticContact NE1-CD2 3.37Å; W378-H447 PolarHBondContact NE1-CD2 3.43Å; W378-H447 AromaticContact NE1-NE2 3.71Å; H447-V449 WeakPolarHBondContact CE1-CG2 3.45Å; H447-V461 VanDerWaalsContact O-CA 3.26Å; H447-V461 WeakPolarHBondContact O-CA 3.36Å; H447-D462 PolarHBondContact N-OD1 2.92Å; H447-D462 PolarHBondContact O-N 2.83Å; H447-D462 VanDerWaalsContact O-N 3.09Å
448	Y	92.8	Very high	88.7	Confident	3 Å²	3	47.8 Å²	47.8	1%	0.012	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	117	178.3	-61	-91.7	0	0	0	110	S376 V377 M379 L414 L437 Q439 V440 H446 L459 V461	S376-Y448 WeakPolarHBondContact CA-O 3.3Å; V377-Y448 PolarHBondContact N-O 3.35Å; V377-Y448 PolarHBondContact O-N 2.94Å; M379-Y448 HydrophobicContact CB-CD2 3.98Å; M379-Y448 HydrophobicContact CB-CE2 3.86Å; M379-Y448 HydrophobicContact CE-CD2 4.34Å; M379-Y448 HydrophobicContact CE-CE2 3.64Å; L414-Y448 HydrophobicContact CD2-CD1 3.74Å; L414-Y448 HydrophobicContact CD2-CE1 4.24Å; L437-Y448 HydrophobicContact CD1-CE1 4.08Å; Q439-Y448 VanDerWaalsContact C-OH 3.27Å; Q439-Y448 PolarHBondContact O-OH 3.34Å; V440-Y448 HydrophobicContact CG2-CE1 4.14Å; H446-Y448 HydrophobicContact CB-CD2 4.32Å; H446-Y448 HydrophobicContact CB-CE2 3.53Å; H446-Y448 WeakPolarHBondContact O-CD2 3.34Å; Y448-L459 HydrophobicContact CD1-CD1 4.44Å; Y448-V461 HydrophobicContact CD1-CG1 4.22Å; Y448-V461 HydrophobicContact CD1-CG2 3.86Å; Y448-V461 HydrophobicContact CE1-CG1 3.92Å; Y448-V461 HydrophobicContact CE1-CG2 3.96Å
449	V	93.8	Very high	89	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.3	174.8	-174.3	0	0	0	0	109.9	T374 I375 H447 L459 F460 I540	T374-V449 HydrophobicContact CG2-CG1 3.61Å; I375-V449 CarbonylContact O-C 3.58Å; I375-V449 WeakPolarHBondContact O-CA 2.8Å; H447-V449 WeakPolarHBondContact CE1-CG2 3.45Å; V449-L459 CarbonylContact O-C 3.5Å; V449-F460 HydrophobicContact CB-CB 4.34Å; V449-F460 PolarHBondContact N-O 2.99Å; V449-F460 PolarHBondContact O-N 2.86Å; V449-I540 HydrophobicContact CB-CD1 4.34Å; V449-I540 HydrophobicContact CG1-CD1 3.93Å; V449-I540 HydrophobicContact CG1-CG1 4.25Å; V449-I540 HydrophobicContact CG2-CG2 4.28Å
450	L	94	Very high	89.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	106.7	174.5	-66.8	90.9	0	0	0	109.6	T374 I375 L407 L416 W435 V457 L459	T374-L450 VanDerWaalsContact CA-O 3.32Å; T374-L450 WeakPolarHBondContact CA-O 3.46Å; I375-L450 HydrophobicContact CB-CB 4.48Å; I375-L450 PolarHBondContact N-O 2.98Å; I375-L450 PolarHBondContact O-N 3.3Å; L407-L450 HydrophobicContact CD1-CD1 4.14Å; L407-L450 HydrophobicContact CD1-CD2 3.84Å; L407-L450 HydrophobicContact CD2-CD1 4.07Å; L416-L450 HydrophobicContact CB-CD2 4.04Å; L416-L450 HydrophobicContact CD2-CD2 3.93Å; L416-L450 HydrophobicContact CG-CD2 4.39Å; W435-L450 HydrophobicContact CH2-CD2 4.11Å; W435-L450 HydrophobicContact CZ3-CD2 4.16Å; L450-V457 HydrophobicContact CD2-CG1 4.38Å; L450-L459 HydrophobicContact CD1-CD1 3.92Å; L450-L459 HydrophobicContact CG-CD1 3.81Å
451	N	93.3	Very high	89.3	Confident	16 Å²	16	41.2 Å²	41.2	9%	0.086	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	112.3	167.1	-87.3	-13.5	0	0	0	108.7	T374 S458 L534 E535	T374-N451 WeakPolarHBondContact CG2-OD1 3.33Å; T374-N451 PolarHBondContact OG1-OD1 2.96Å; N451-S458 PolarHBondContact N-O 2.96Å; N451-S458 PolarHBondContact O-N 2.85Å; N451-L534 HydrophobicContact CB-CD2 4.09Å; N451-E535 PolarHBondContact ND2-O 3.24Å; N451-E535 PolarHBondContact OD1-N 3.06Å
452	V	90.8	Very high	89.3	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	107.4	-177.5	-179.9	0	0	0	0	110	P372 F373 L416 L418 V457	P372-V452 VanDerWaalsContact CA-O 3.26Å; P372-V452 WeakPolarHBondContact CA-O 3.35Å; F373-V452 HydrophobicContact CD1-CB 4.07Å; F373-V452 HydrophobicContact CD1-CG1 4.1Å; F373-V452 HydrophobicContact CD2-CB 4.24Å; F373-V452 HydrophobicContact CD2-CG2 4.32Å; F373-V452 HydrophobicContact CE1-CB 3.79Å; F373-V452 HydrophobicContact CE1-CG1 3.47Å; F373-V452 VanDerWaalsContact CE1-CG1 3.47Å; F373-V452 HydrophobicContact CE1-CG2 4.34Å; F373-V452 HydrophobicContact CE2-CB 3.96Å; F373-V452 HydrophobicContact CE2-CG1 4.37Å; F373-V452 HydrophobicContact CE2-CG2 3.74Å; F373-V452 HydrophobicContact CG-CB 4.29Å; F373-V452 HydrophobicContact CZ-CB 3.74Å; F373-V452 HydrophobicContact CZ-CG1 3.63Å; F373-V452 HydrophobicContact CZ-CG2 3.76Å; F373-V452 PolarHBondContact N-O 2.86Å; F373-V452 VanDerWaalsContact N-O 3.09Å; F373-V452 PolarHBondContact O-N 2.79Å; L416-V452 HydrophobicContact CD2-CG2 3.92Å; L418-V452 HydrophobicContact CD2-CG1 3.69Å; V452-V457 HydrophobicContact CG1-CG2 4.23Å; V452-V457 HydrophobicContact CG2-CG1 4.02Å; V452-V457 HydrophobicContact CG2-CG2 4.28Å
453	E	89.4	Confident	89.3	Confident	109 Å²	109	37.1 Å²	37.1	51%	0.509	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	84	172.7	-173.6	174.5	-163.8	0	0	108.5	P372 T456 L534	P372-E453 HydrophobicContact CB-CB 4.47Å; P372-E453 HydrophobicContact CB-CG 4.45Å; E453-T456 CarbonylContact C-O 3.6Å; E453-T456 PolarHBondContact N-O 3.33Å; E453-T456 CarbonylContact O-C 3.55Å; E453-T456 WeakPolarHBondContact O-CA 3.48Å; E453-T456 PolarHBondContact O-N 3.03Å; E453-T456 PolarHBondContact O-OG1 2.91Å; E453-L534 HydrophobicContact CB-CD1 4.04Å; E453-L534 HydrophobicContact CB-CD2 4.39Å
454	F	80.6	Confident	89.4	Confident	75 Å²	75	35.3 Å²	35.3	33%	0.329	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	131	-169.4	-177.8	-88.4	0	0	0	112.3	L418 Q420 K429 P430	L418-F454 HydrophobicContact CD2-CD2 4.31Å; Q420-F454 HydrophobicContact CG-CE1 4.45Å; Q420-F454 HydrophobicContact CG-CE2 3.89Å; Q420-F454 HydrophobicContact CG-CZ 3.83Å; Q420-F454 VanDerWaalsContact NE2-CD2 3.3Å; K429-F454 HydrophobicContact CB-CZ 4.17Å; K429-F454 HydrophobicContact CD-CZ 4.15Å; K429-F454 HydrophobicContact CG-CZ 4.45Å; P430-F454 WeakPolarHBondContact O-CE2 3.5Å
455	P	83.4	Confident	89.8	Confident	73 Å²	73	32.7 Å²	32.7	47%	0.474	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88.1	4.2	13.3	36.3	-37.6	0	0	0	115.7	P430 F433	P430-P455 HydrophobicContact CG-CB 4.2Å; F433-P455 WeakPolarHBondContact CZ-O 3.35Å
456	T	87.8	Confident	90.2	Very high	83 Å²	83	33.9 Å²	33.9	51%	0.509	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	145.2	-177.6	48	0	0	0	0	112.9	E453	E453-T456 CarbonylContact C-O 3.6Å; E453-T456 PolarHBondContact N-O 3.33Å; E453-T456 CarbonylContact O-C 3.55Å; E453-T456 WeakPolarHBondContact O-CA 3.48Å; E453-T456 PolarHBondContact O-N 3.03Å; E453-T456 PolarHBondContact O-OG1 2.91Å
457	V	91.4	Very high	90.3	Very high	10 Å²	10	41.9 Å²	41.9	6%	0.061	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	123.2	172.1	-175.7	0	0	0	0	109.1	L416 F433 W435 L450 V452	L416-V457 HydrophobicContact CD2-CG1 3.95Å; L416-V457 HydrophobicContact CD2-CG2 4.11Å; F433-V457 HydrophobicContact CD1-CB 4.05Å; F433-V457 HydrophobicContact CD1-CG2 3.96Å; F433-V457 HydrophobicContact CD2-CG2 3.92Å; F433-V457 HydrophobicContact CE1-CB 4.24Å; F433-V457 HydrophobicContact CE1-CG2 3.81Å; F433-V457 HydrophobicContact CE2-CG2 3.78Å; F433-V457 HydrophobicContact CG-CB 4.27Å; F433-V457 HydrophobicContact CG-CG2 4.02Å; F433-V457 HydrophobicContact CZ-CG2 3.72Å; W435-V457 HydrophobicContact CH2-CB 4.22Å; W435-V457 HydrophobicContact CH2-CG1 3.67Å; W435-V457 HydrophobicContact CZ2-CB 4.32Å; W435-V457 HydrophobicContact CZ2-CG1 3.94Å; L450-V457 HydrophobicContact CD2-CG1 4.38Å; V452-V457 HydrophobicContact CG1-CG2 4.23Å; V452-V457 HydrophobicContact CG2-CG1 4.02Å; V452-V457 HydrophobicContact CG2-CG2 4.28Å
458	S	93.3	Very high	90.4	Very high	61 Å²	61	43.6 Å²	43.6	43%	0.427	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	113.8	176.9	-62.1	0	0	0	0	109.1	N451	N451-S458 PolarHBondContact N-O 2.96Å; N451-S458 PolarHBondContact O-N 2.85Å
459	L	95.1	Very high	90.3	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.9	170.5	175.7	66.8	0	0	0	109.3	L414 W435 L437 Y448 V449 L450 V461 A465 F466	L414-L459 HydrophobicContact CD2-CD1 4.08Å; L414-L459 HydrophobicContact CD2-CD2 4.13Å; W435-L459 HydrophobicContact CB-CD2 4.02Å; W435-L459 HydrophobicContact CD2-CB 4.22Å; W435-L459 HydrophobicContact CD2-CD2 3.76Å; W435-L459 HydrophobicContact CE3-CD2 4.39Å; W435-L459 HydrophobicContact CG-CD2 3.56Å; W435-L459 HydrophobicContact CZ2-CB 3.87Å; L437-L459 HydrophobicContact CD1-CD2 3.71Å; L437-L459 HydrophobicContact CD2-CD2 4.38Å; Y448-L459 HydrophobicContact CD1-CD1 4.44Å; V449-L459 CarbonylContact O-C 3.5Å; L450-L459 HydrophobicContact CD1-CD1 3.92Å; L450-L459 HydrophobicContact CG-CD1 3.81Å; L459-V461 HydrophobicContact CD1-CG2 4.24Å; L459-V461 HydrophobicContact CD2-CG2 3.81Å; L459-V461 HydrophobicContact CG-CG2 3.92Å; L459-A465 WeakPolarHBondContact O-CA 3.36Å; L459-F466 HydrophobicContact CD2-CB 4.24Å; L459-F466 HydrophobicContact CG-CB 4.48Å; L459-F466 PolarHBondContact O-N 2.8Å
460	F	93.8	Very high	90.1	Very high	26 Å²	26	52.9 Å²	52.9	11%	0.114	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.3	161.4	-57	-96.4	0	0	0	108.3	V449 T464 A465 I540	V449-F460 HydrophobicContact CB-CB 4.34Å; V449-F460 PolarHBondContact N-O 2.99Å; V449-F460 PolarHBondContact O-N 2.86Å; F460-T464 CarbonylContact C-O 3.6Å; F460-T464 VanDerWaalsContact CA-O 3.22Å; F460-T464 WeakPolarHBondContact CA-O 3.31Å; F460-A465 HydrophobicContact CD1-CB 3.91Å; F460-A465 HydrophobicContact CE1-CB 3.77Å; F460-I540 HydrophobicContact CB-CD1 4.48Å; F460-I540 HydrophobicContact CB-CG2 4.24Å; F460-I540 HydrophobicContact CD1-CD1 4.42Å; F460-I540 HydrophobicContact CD2-CD1 3.65Å; F460-I540 HydrophobicContact CE2-CD1 3.94Å; F460-I540 HydrophobicContact CG-CD1 3.93Å; F460-I540 HydrophobicContact CZ-CD1 4.44Å
461	V	91.8	Very high	90	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.3	166.3	-168	0	0	0	0	106.2	L437 Q439 H446 H447 Y448 L459 G463 T464 F466	L437-V461 HydrophobicContact CD1-CG2 4.13Å; L437-V461 HydrophobicContact CD2-CG2 4.26Å; Q439-V461 HydrophobicContact CB-CG1 4.24Å; Q439-V461 HydrophobicContact CG-CG1 4.08Å; H446-V461 HydrophobicContact CB-CG1 4.11Å; H447-V461 VanDerWaalsContact O-CA 3.26Å; H447-V461 WeakPolarHBondContact O-CA 3.36Å; Y448-V461 HydrophobicContact CD1-CG1 4.22Å; Y448-V461 HydrophobicContact CD1-CG2 3.86Å; Y448-V461 HydrophobicContact CE1-CG1 3.92Å; Y448-V461 HydrophobicContact CE1-CG2 3.96Å; L459-V461 HydrophobicContact CD1-CG2 4.24Å; L459-V461 HydrophobicContact CD2-CG2 3.81Å; L459-V461 HydrophobicContact CG-CG2 3.92Å; V461-G463 VanDerWaalsContact C-N 3.35Å; V461-G463 PolarHBondContact O-N 2.93Å; V461-T464 PolarHBondContact N-O 2.88Å; V461-T464 WeakPolarHBondContact O-CA 3.46Å; V461-T464 WeakPolarHBondContact O-CB 3.3Å; V461-T464 PolarHBondContact O-N 2.9Å; V461-F466 HydrophobicContact CB-CD2 3.92Å; V461-F466 HydrophobicContact CB-CE2 3.69Å; V461-F466 HydrophobicContact CG2-CD2 3.79Å; V461-F466 HydrophobicContact CG2-CE2 4.02Å
462	D	86.9	Confident	89.9	Confident	24 Å²	24	57.9 Å²	57.9	13%	0.128	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	48.4	176.4	-60.5	-21.8	0	0	0	113.2	H446 H447 T464 Y544	H446-D462 WeakPolarHBondContact CA-OD1 3.49Å; H446-D462 IonicContact CE1-OD2 3.39Å; H446-D462 IonicContact CG-OD2 3.84Å; H446-D462 IonicContact ND1-OD1 2.99Å; H446-D462 IonicContact ND1-OD2 3.95Å; H446-D462 PolarHBondContact ND1-OD2 2.93Å; H447-D462 PolarHBondContact N-OD1 2.92Å; H447-D462 PolarHBondContact O-N 2.83Å; H447-D462 VanDerWaalsContact O-N 3.09Å; D462-T464 PolarHBondContact O-N 2.85Å; D462-Y544 HydrophobicContact CB-CD2 3.85Å; D462-Y544 HydrophobicContact CB-CE2 3.33Å
463	G	86	Confident	89.7	Confident	6 Å²	6	63.1 Å²	63.1	6%	0.062	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	-12.6	-176	0	0	0	0	0	116	V461 K537	V461-G463 VanDerWaalsContact C-N 3.35Å; V461-G463 PolarHBondContact O-N 2.93Å; G463-K537 PolarHBondContact O-NZ 2.01Å
464	T	89	Confident	89.4	Confident	72 Å²	72	60.5 Å²	60.5	44%	0.442	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.5	-178.4	-59.6	0	0	0	0	110.8	F460 V461 D462 F466	F460-T464 CarbonylContact C-O 3.6Å; F460-T464 VanDerWaalsContact CA-O 3.22Å; F460-T464 WeakPolarHBondContact CA-O 3.31Å; V461-T464 PolarHBondContact N-O 2.88Å; V461-T464 WeakPolarHBondContact O-CA 3.46Å; V461-T464 WeakPolarHBondContact O-CB 3.3Å; V461-T464 PolarHBondContact O-N 2.9Å; D462-T464 PolarHBondContact O-N 2.85Å; T464-F466 HydrophobicContact CG2-CD2 4.46Å; T464-F466 HydrophobicContact CG2-CE2 3.83Å; T464-F466 HydrophobicContact CG2-CZ 4.25Å; T464-F466 WeakPolarHBondContact O-CD2 3.47Å
465	A	91.8	Very high	89.3	Confident	72 Å²	72	62.3 Å²	62.3	60%	0.595	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	136.1	-178.8	0	0	0	0	0	112.2	L459 F460	L459-A465 WeakPolarHBondContact O-CA 3.36Å; F460-A465 HydrophobicContact CD1-CB 3.91Å; F460-A465 HydrophobicContact CE1-CB 3.77Å
466	F	92.5	Very high	89	Confident	60 Å²	60	59.7 Å²	59.7	26%	0.263	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	121.5	179	-72.3	-96.5	0	0	0	111.4	W435 L437 L459 V461 T464	W435-F466 PolarHBondContact NE1-O 3.24Å; L437-F466 HydrophobicContact CD2-CB 4.35Å; L437-F466 HydrophobicContact CD2-CD1 3.59Å; L437-F466 HydrophobicContact CD2-CD2 4.48Å; L437-F466 HydrophobicContact CD2-CE1 3.93Å; L437-F466 HydrophobicContact CD2-CG 3.89Å; L459-F466 HydrophobicContact CD2-CB 4.24Å; L459-F466 HydrophobicContact CG-CB 4.48Å; L459-F466 PolarHBondContact O-N 2.8Å; V461-F466 HydrophobicContact CB-CD2 3.92Å; V461-F466 HydrophobicContact CB-CE2 3.69Å; V461-F466 HydrophobicContact CG2-CD2 3.79Å; V461-F466 HydrophobicContact CG2-CE2 4.02Å; T464-F466 HydrophobicContact CG2-CD2 4.46Å; T464-F466 HydrophobicContact CG2-CE2 3.83Å; T464-F466 HydrophobicContact CG2-CZ 4.25Å; T464-F466 WeakPolarHBondContact O-CD2 3.47Å
467	E	90	Very high	88.5	Confident	181 Å²	181	56.5 Å²	56.5	85%	0.846	30%	0.301	S	S	*	.			trans	-79.1	142.8	172.9	-64.1	-171.5	162.2	0	0	111.2	F469	E467-F469 PolarHBondContact O-N 3.04Å
468	P	91.8	Very high	87.8	Confident	38 Å²	38	62.8 Å²	62.8	25%	0.247	33%	0.329	C	S	.	.			trans	-68.6	128.4	176.3	27.6	-33.2	0	0	0	110.3	F433 H434 W435 M470 V471	F433-P468 HydrophobicContact CB-CB 4.48Å; F433-P468 HydrophobicContact CD1-CG 4.43Å; H434-P468 CarbonylContact O-C 3.6Å; H434-P468 WeakPolarHBondContact O-CA 3.25Å; W435-P468 HydrophobicContact CD2-CB 4.41Å; W435-P468 HydrophobicContact CZ2-CB 4.13Å; W435-P468 HydrophobicContact CZ2-CG 4.47Å; P468-M470 PolarHBondContact O-N 2.86Å; P468-V471 HydrophobicContact CB-CG2 4.08Å; P468-V471 HydrophobicContact CG-CG2 3.86Å
469	F	90.7	Very high	86.8	Confident	102 Å²	102	65 Å²	65	45%	0.447	34%	0.343	S	S	.	.	S	Bend	trans	-74.2	-20.2	179.9	78	-92.2	0	0	0	112.5	H434 K436 E467	H434-F469 HydrophobicContact CB-CD1 4.28Å; H434-F469 HydrophobicContact CB-CE1 3.57Å; H434-F469 HydrophobicContact CB-CZ 3.74Å; H434-F469 WeakPolarHBondContact O-CD1 3.37Å; H434-F469 WeakPolarHBondContact O-CE1 3.44Å; H434-F469 PolarHBondContact O-N 3.32Å; K436-F469 HydrophobicContact CB-CD1 4.09Å; K436-F469 HydrophobicContact CB-CE1 4.09Å; E467-F469 PolarHBondContact O-N 3.04Å
470	M	89.2	Confident	85.7	Confident	97 Å²	97	67.3 Å²	67.3	48%	0.478	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	135.8	179	180	175.6	-68.5	0	0	109.4	H434 P468	H434-M470 HydrophobicContact CB-CB 4.27Å; H434-M470 PolarHBondContact N-O 3.5Å; P468-M470 PolarHBondContact O-N 2.86Å
471	V	91.4	Very high	84.7	Confident	62 Å²	62	76.5 Å²	76.5	38%	0.376	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.3	171.7	-178.4	0	0	0	0	107.3	P430 E432 F433 P468	P430-V471 HydrophobicContact CB-CG1 3.8Å; P430-V471 HydrophobicContact CG-CG1 4.45Å; E432-V471 CarbonylContact O-C 3.51Å; E432-V471 VanDerWaalsContact O-CA 3.27Å; E432-V471 WeakPolarHBondContact O-CA 3.21Å; F433-V471 HydrophobicContact CD1-CG1 3.98Å; F433-V471 HydrophobicContact CD1-CG2 3.77Å; F433-V471 HydrophobicContact CE1-CG1 3.83Å; F433-V471 HydrophobicContact CE1-CG2 4.18Å; F433-V471 HydrophobicContact CZ-CG1 4.33Å; P468-V471 HydrophobicContact CB-CG2 4.08Å; P468-V471 HydrophobicContact CG-CG2 3.86Å
472	T	90.4	Very high	83.9	Confident	60 Å²	60	78.5 Å²	78.5	37%	0.368	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.8	178.9	-53.1	0	0	0	0	109.7	A431 E432	A431-T472 PolarHBondContact N-O 2.67Å; E432-T472 PolarHBondContact N-O 3.18Å; E432-T472 PolarHBondContact O-N 3.5Å
473	E	87.6	Confident	83.5	Confident	112 Å²	112	83.5 Å²	83.5	52%	0.523	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	140.7	178.1	-54.5	-176.3	153.3	0	0	111.1	Y428 K429	Y428-E473 WeakPolarHBondContact CB-OE2 3.5Å; Y428-E473 HydrophobicContact CD1-CB 4.34Å; K429-E473 CarbonylContact O-C 3.18Å; K429-E473 WeakPolarHBondContact O-CA 3.37Å; K429-E473 WeakPolarHBondContact O-CB 3.45Å
474	D	82.3	Confident	83.3	Confident	53 Å²	53	84.9 Å²	84.9	28%	0.283	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	167.1	176.1	-161.8	0.6	0	0	0	109.4	R419 K429 A431	R419-D474 IonicContact CZ-OD2 3.38Å; R419-D474 IonicContact NE-OD2 2.78Å; R419-D474 PolarHBondContact NE-OD2 3.03Å; R419-D474 IonicContact NH2-OD2 3.25Å; R419-D474 PolarHBondContact NH2-OD2 2.77Å; K429-D474 PolarHBondContact N-O 3.03Å; K429-D474 PolarHBondContact O-N 2.97Å; A431-D474 HydrophobicContact CB-CB 3.37Å
475	Y	79.3	Confident	83.2	Confident	113 Å²	113	82.4 Å²	82.4	44%	0.443	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-74	145.2	171	-82.4	-81.1	0	0	0	111	E426 Y428	E426-Y475 WeakPolarHBondContact O-CE1 3.21Å; Y428-Y475 HydrophobicContact CD1-CE2 4.43Å; Y428-Y475 AromaticContact CE1-CD2 3.98Å; Y428-Y475 HydrophobicContact CE1-CD2 3.98Å; Y428-Y475 AromaticContact CE1-CE2 3.6Å; Y428-Y475 HydrophobicContact CE1-CE2 3.6Å; Y428-Y475 HydrophobicContact CE2-CE1 4.47Å; Y428-Y475 HydrophobicContact CE2-CE2 4.06Å; Y428-Y475 AromaticContact CE2-CZ 3.75Å; Y428-Y475 WeakPolarHBondContact CE2-OH 3.26Å; Y428-Y475 AromaticContact CZ-CE2 3.38Å; Y428-Y475 AromaticContact CZ-CZ 3.57Å; Y428-Y475 VanDerWaalsContact OH-CE2 3.25Å; Y428-Y475 WeakPolarHBondContact OH-CE2 3.49Å; Y428-Y475 PolarHBondContact OH-OH 3.47Å
476	P	77.8	Confident	83	Confident	18 Å²	18	79.7 Å²	79.7	12%	0.117	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-56.6	147.8	167.7	-22.5	33.3	0	0	0	111.8	Q420 K429	Q420-P476 HydrophobicContact CB-CB 4.35Å; K429-P476 HydrophobicContact CD-CG 4.33Å
477	L	77.4	Confident	83	Confident	16 Å²	16	76.8 Å²	76.8	8%	0.084	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-62.8	139	178.3	-70.7	172.1	0	0	0	111	R402 H404 R419 Q420 P422	R402-L477 HydrophobicContact CB-CD2 4.13Å; R402-L477 HydrophobicContact CG-CD2 4.46Å; H404-L477 HydrophobicContact CB-CD1 4.44Å; R419-L477 HydrophobicContact CB-CD1 3.93Å; R419-L477 HydrophobicContact CB-CD2 4.38Å; R419-L477 HydrophobicContact CB-CG 3.88Å; Q420-L477 PolarHBondContact O-N 3.01Å; P422-L477 WeakPolarHBondContact CA-O 3.35Å; P422-L477 WeakPolarHBondContact CB-O 3.34Å; P422-L477 VanDerWaalsContact CG-O 3.29Å; P422-L477 WeakPolarHBondContact CG-O 3.48Å
478	H	75.6	Confident	83.1	Confident	142 Å²	142	68.2 Å²	68.2	66%	0.657	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-66.1	144.4	171.3	-64.8	-51.7	0	0	0	111.3	R402 S480	R402-H478 PolarHBondContact NH1-O 3.45Å; H478-S480 PolarHBondContact O-N 2.89Å
479	P	71.4	Confident	83	Confident	109 Å²	109	66.4 Å²	66.4	71%	0.708	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-57.6	127.4	179.7	-19	27.6	0	0	0	112.7	P422	P422-P479 HydrophobicContact CB-CB 4.32Å; P422-P479 HydrophobicContact CB-CG 3.64Å; P422-P479 HydrophobicContact CG-CB 3.99Å; P422-P479 HydrophobicContact CG-CG 3.85Å
480	S	72.4	Confident	83	Confident	49 Å²	49	61.5 Å²	61.5	34%	0.343	31%	0.311	S	S	.	.			trans	-134.7	152.6	179.3	55	0	0	0	0	110.9	R402 H478	R402-S480 PolarHBondContact NH2-OG 3.36Å; H478-S480 PolarHBondContact O-N 2.89Å
481	K	72.6	Confident	83	Confident	219 Å²	219	57 Å²	57	95%	0.952	29%	0.289	S	S	*	.			trans	-104.1	18.9	170.8	-61.8	-175.6	177.9	-177.1	0	112.6
482	I	75.9	Confident	82.7	Confident	44 Å²	44	55.5 Å²	55.5	23%	0.226	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-83.6	133.3	-179.5	-52.4	173.5	0	0	0	107.4	D396 M400	D396-I482 HydrophobicContact CB-CG2 3.95Å; M400-I482 HydrophobicContact CB-CD1 4.41Å; M400-I482 HydrophobicContact CG-CD1 3.81Å; M400-I482 HydrophobicContact SD-CD1 3.84Å
483	E	77.4	Confident	82.1	Confident	129 Å²	129	56 Å²	56	60%	0.603	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-69.8	149.5	173	-71.9	178.3	-166.3	0	0	110.9	K397	K397-E483 WeakPolarHBondContact CB-O 3.49Å; K397-E483 HydrophobicContact CD-CB 3.78Å; K397-E483 HydrophobicContact CG-CB 4.34Å; K397-E483 WeakPolarHBondContact CG-O 3.27Å; K397-E483 PolarHBondContact N-O 2.77Å; K397-E483 IonicContact NZ-OE2 2.96Å; K397-E483 PolarHBondContact NZ-OE2 3.31Å
484	T	83.4	Confident	80.9	Confident	34 Å²	34	53.8 Å²	53.8	21%	0.209	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	151.4	176.9	66.1	0	0	0	0	111.4	N394 S395 K397 H404	N394-T484 PolarHBondContact ND2-OG1 2.76Å; N394-T484 VanDerWaalsContact OD1-CB 3.23Å; N394-T484 WeakPolarHBondContact OD1-CB 3.45Å; N394-T484 PolarHBondContact OD1-OG1 2.89Å; S395-T484 CarbonylContact O-C 3.54Å; S395-T484 VanDerWaalsContact O-CA 3.28Å; S395-T484 WeakPolarHBondContact O-CA 3.24Å; K397-T484 WeakPolarHBondContact CE-O 3.45Å; H404-T484 VanDerWaalsContact NE2-CG2 3.32Å; H404-T484 WeakPolarHBondContact NE2-CG2 3.37Å
485	Q	86.2	Confident	79.5	Confident	21 Å²	21	56.5 Å²	56.5	10%	0.098	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.9	174.8	179.8	64.3	70.3	0	0	109.9	V360 N394 S395 K397 T487 W492	V360-Q485 PolarHBondContact O-NE2 3.36Å; V360-Q485 VanDerWaalsContact O-NE2 3.12Å; N394-Q485 WeakPolarHBondContact CA-O 3.37Å; N394-Q485 PolarHBondContact OD1-N 3.5Å; N394-Q485 PolarHBondContact OD1-O 3.3Å; N394-Q485 VanDerWaalsContact OD1-O 3.13Å; S395-Q485 PolarHBondContact N-O 3.42Å; S395-Q485 VanDerWaalsContact N-O 3.14Å; S395-Q485 PolarHBondContact O-N 3.1Å; K397-Q485 HydrophobicContact CG-CB 3.84Å; Q485-T487 HydrophobicContact CG-CG2 4.03Å; Q485-W492 HydrophobicContact CB-CG 4.49Å; Q485-W492 HydrophobicContact CG-CD2 4.5Å; Q485-W492 HydrophobicContact CG-CG 4.49Å
486	L	88.6	Confident	77.9	Confident	14 Å²	14	55.1 Å²	55.1	7%	0.073	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130.7	169.7	-176.2	59.9	0	0	0	110	L324 V360 V365 L392 C393 N394 Y405 I529	L324-L486 HydrophobicContact CD1-CD2 4.2Å; L324-L486 HydrophobicContact CD2-CD2 4.34Å; V360-L486 HydrophobicContact CB-CB 4.13Å; V360-L486 HydrophobicContact CB-CD2 4.1Å; V360-L486 HydrophobicContact CB-CG 4.1Å; V360-L486 HydrophobicContact CG1-CD2 4.2Å; V360-L486 HydrophobicContact CG2-CB 4.42Å; V360-L486 HydrophobicContact CG2-CD2 4.03Å; V360-L486 HydrophobicContact CG2-CG 3.91Å; V360-L486 PolarHBondContact N-O 3.38Å; V365-L486 HydrophobicContact CB-CD2 4.41Å; V365-L486 HydrophobicContact CG2-CD2 3.92Å; L392-L486 HydrophobicContact CD1-CD1 3.65Å; L392-L486 HydrophobicContact CD1-CG 4.32Å; L392-L486 HydrophobicContact CG-CD1 4.05Å; C393-L486 WeakPolarHBondContact O-CA 3.28Å; N394-L486 HydrophobicContact CB-CD1 4.08Å; N394-L486 PolarHBondContact OD1-N 2.85Å; Y405-L486 HydrophobicContact CE2-CD1 3.97Å; Y405-L486 WeakPolarHBondContact OH-CD1 3.14Å; L486-I529 HydrophobicContact CD2-CD1 4.48Å
487	T	90.6	Very high	76.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.1	179	46.9	0	0	0	0	111.7	I358 K359 C393 Q485 A490 W492 M516	I358-T487 WeakPolarHBondContact O-CA 3.26Å; K359-T487 HydrophobicContact CG-CG2 4.44Å; C393-T487 PolarHBondContact N-O 2.91Å; C393-T487 PolarHBondContact O-N 3.3Å; C393-T487 PolarHBondContact O-OG1 3.42Å; C393-T487 VanDerWaalsContact O-OG1 3.11Å; Q485-T487 HydrophobicContact CG-CG2 4.03Å; T487-A490 PolarHBondContact OG1-O 3.32Å; T487-A490 VanDerWaalsContact OG1-O 3.07Å; T487-W492 HydrophobicContact CG2-CB 4.19Å; T487-M516 HydrophobicContact CG2-CE 3.91Å
488	V	92.7	Very high	74.6	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139	176.1	179.4	0	0	0	0	108.9	L324 L325 F352 A357 I358 V360 I391 L392 A490 L524 L527	L324-V488 HydrophobicContact CB-CG2 4.29Å; L324-V488 HydrophobicContact CD1-CG2 4.16Å; L325-V488 HydrophobicContact CD1-CG1 4.35Å; L325-V488 HydrophobicContact CD2-CG1 4.11Å; L325-V488 HydrophobicContact CG-CG1 4.42Å; F352-V488 HydrophobicContact CZ-CG1 4.18Å; A357-V488 CarbonylContact C-O 3.58Å; A357-V488 VanDerWaalsContact CA-O 3.29Å; A357-V488 WeakPolarHBondContact CA-O 3.3Å; A357-V488 WeakPolarHBondContact CB-O 3.32Å; I358-V488 HydrophobicContact CB-CB 4.33Å; I358-V488 HydrophobicContact CD1-CB 4.24Å; I358-V488 HydrophobicContact CD1-CG1 4.29Å; I358-V488 PolarHBondContact N-O 3.02Å; I358-V488 PolarHBondContact O-N 3.06Å; V360-V488 HydrophobicContact CG2-CG2 4.08Å; I391-V488 WeakPolarHBondContact O-CA 3.37Å; L392-V488 HydrophobicContact CD1-CG2 3.85Å; V488-A490 PolarHBondContact O-N 3.04Å; V488-L524 HydrophobicContact CG1-CD1 4.27Å; V488-L527 HydrophobicContact CB-CD2 4.29Å; V488-L527 HydrophobicContact CG1-CD2 3.53Å; V488-L527 HydrophobicContact CG2-CD2 3.71Å
489	G	90.4	Very high	72.7	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.354	C	S	.	.	S	Bend	trans	78	-4.5	179.3	0	0	0	0	0	115.6	T390 I391 F519 F520	T390-G489 CarbonylContact O-C 3.53Å; T390-G489 WeakPolarHBondContact O-CA 3.37Å; I391-G489 PolarHBondContact O-N 3.33Å; G489-F519 CarbonylContact O-C 3.6Å; G489-F519 VanDerWaalsContact O-CA 3.3Å; G489-F519 WeakPolarHBondContact O-CA 3.39Å; G489-F520 PolarHBondContact O-N 2.88Å
490	A	91.3	Very high	71.4	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.363	C	S	.	.	S	Bend	trans	-160.1	-178.3	167.2	0	0	0	0	0	109.6	A357 T390 T487 V488 M516 A517 F519	A357-A490 HydrophobicContact CB-CB 3.38Å; T390-A490 PolarHBondContact O-N 3.19Å; T487-A490 PolarHBondContact OG1-O 3.32Å; T487-A490 VanDerWaalsContact OG1-O 3.07Å; V488-A490 PolarHBondContact O-N 3.04Å; A490-M516 HydrophobicContact CB-CB 4.01Å; A490-M516 HydrophobicContact CB-CG 4.5Å; A490-A517 WeakPolarHBondContact CB-O 3.17Å; A490-F519 HydrophobicContact CB-CD1 3.67Å; A490-F519 HydrophobicContact CB-CE1 3.94Å; A490-F519 HydrophobicContact CB-CG 4.17Å
491	C	88.6	Confident	69.7	Low	1 Å²	1	73.1 Å²	73.1	1%	0.007	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-114.6	144.5	169.1	-158.4	0	0	0	0	110.4	T390 C393 H403 M516 A517	T390-C491 HydrophobicContact CG2-CB 4.14Å; C393-C491 HydrophobicContact CB-CB 3.55Å; C393-C491 WeakPolarHBondContact CB-SG 3.36Å; C393-C491 WeakPolarHBondContact SG-CA 3.31Å; C393-C491 WeakPolarHBondContact SG-CB 3.48Å; C393-C491 CovalentContact SG-SG 2.04Å; C393-C491 PolarHBondContact SG-SG 3.28Å; H403-C491 PolarHBondContact NE2-SG 2.98Å; H403-C491 VanDerWaalsContact NE2-SG 3.4Å; C491-M516 WeakPolarHBondContact O-CA 3.45Å; C491-A517 PolarHBondContact N-O 2.99Å; C491-A517 PolarHBondContact O-N 3.21Å
492	W	84.6	Confident	68.3	Low	32 Å²	32	69.2 Å²	69.2	12%	0.121	38%	0.381	C	S	.	.			trans	-77	127	178.2	179	-95.7	0	0	0	110.4	K359 S395 K397 Q485 T487 A514 M516	K359-W492 HydrophobicContact CD-CZ3 4.31Å; K359-W492 VanDerWaalsContact NZ-CZ3 3.27Å; S395-W492 WeakPolarHBondContact OG-CB 3.41Å; S395-W492 PolarHBondContact OG-O 3.48Å; K397-W492 PolarHBondContact O-NE1 3.41Å; Q485-W492 HydrophobicContact CB-CG 4.49Å; Q485-W492 HydrophobicContact CG-CD2 4.5Å; Q485-W492 HydrophobicContact CG-CG 4.49Å; T487-W492 HydrophobicContact CG2-CB 4.19Å; W492-A514 HydrophobicContact CD2-CB 4.09Å; W492-A514 HydrophobicContact CE3-CB 3.94Å; W492-A514 HydrophobicContact CH2-CB 3.18Å; W492-A514 HydrophobicContact CZ2-CB 3.35Å; W492-A514 HydrophobicContact CZ3-CB 3.46Å; W492-A514 VanDerWaalsContact CZ3-CB 3.46Å; W492-M516 HydrophobicContact CE3-CG 4.37Å
493	Q	77	Confident	66.3	Low	69 Å²	69	76.6 Å²	76.6	32%	0.322	41%	0.414	S	S	.	.			trans	-139.8	119.9	179.4	-163.9	171.9	-12.1	0	0	110.2	N401 R515 A517	N401-Q493 WeakPolarHBondContact ND2-CG 3.04Å; Q493-R515 CarbonylContact O-C 3.58Å; Q493-R515 PolarHBondContact O-N 3.23Å; Q493-A517 HydrophobicContact CB-CB 4.33Å
494	E	64	Low	64.2	Low	67 Å²	67	75.5 Å²	75.5	31%	0.313	43%	0.428	S	S	.	.			trans	-73.8	140.8	169.6	-172.3	167.8	-161.1	0	0	110.2	T398 D399 N401 S496	T398-E494 VanDerWaalsContact CA-OE2 3.31Å; T398-E494 WeakPolarHBondContact CA-OE2 3.46Å; D399-E494 PolarHBondContact N-OE2 2.79Å; N401-E494 PolarHBondContact ND2-N 3.06Å; N401-E494 PolarHBondContact ND2-O 3.37Å; N401-E494 PolarHBondContact OD1-N 3.12Å; E494-S496 PolarHBondContact O-N 2.82Å
495	N	52.6	Low	61.6	Low	110 Å²	110	77.8 Å²	77.8	59%	0.588	45%	0.45	S	S	*	.			trans	-73.2	96.1	-175.8	-171.7	38.9	0	0	0	110.9	G497	N495-G497 PolarHBondContact O-N 2.97Å
496	S	46	Very low	59.2	Low	84 Å²	84	83 Å²	83	59%	0.587	49%	0.485	S	S	*	.			trans	-62.8	101.4	162.9	54.4	0	0	0	0	108.2	E494 H498	E494-S496 PolarHBondContact O-N 2.82Å; S496-H498 PolarHBondContact O-N 2.94Å
497	G	44.3	Very low	56.5	Low	66 Å²	66	91.6 Å²	91.6	68%	0.68	53%	0.525	S	S	*	.	S	Bend	trans	-67.6	67.9	-171.4	0	0	0	0	0	114.4	N495	N495-G497 PolarHBondContact O-N 2.97Å
498	H	40.7	Very low	53.5	Low	173 Å²	173	98.3 Å²	98.3	80%	0.801	57%	0.566	S	S	*	*			trans	-148.5	32.5	-174.4	-122	48.7	0	0	0	115.7	S496	S496-H498 PolarHBondContact O-N 2.94Å
499	D	36.6	Very low	50.5	Low	152 Å²	152	105 Å²	105	81%	0.813	61%	0.608	S	S	*	*			trans	-105.3	105.6	157.2	-71.6	-46.6	0	0	0	109.6	D501	D499-D501 VanDerWaalsContact C-N 3.31Å; D499-D501 PolarHBondContact O-N 2.88Å; D499-D501 VanDerWaalsContact O-N 3.13Å
500	N	42.6	Very low	47.7	Very low	165 Å²	165	110.9 Å²	110.9	88%	0.882	65%	0.648	S	S	*	*			trans	-74.1	86.4	162.4	-88.5	-35.2	0	0	0	107.9
501	D	38.1	Very low	44.6	Very low	156 Å²	156	114.7 Å²	114.7	83%	0.834	69%	0.688	S	S	*	*			trans	-144.8	131.9	158.5	-95.5	-43	0	0	0	112.1	D499 E503	D499-D501 VanDerWaalsContact C-N 3.31Å; D499-D501 PolarHBondContact O-N 2.88Å; D499-D501 VanDerWaalsContact O-N 3.13Å; D501-E503 PolarHBondContact O-N 3.04Å
502	T	42.1	Very low	41.9	Very low	137 Å²	137	118.2 Å²	118.2	84%	0.84	72%	0.724	S	S	*	*			trans	-86.1	101.2	-175.5	44.3	0	0	0	0	111.2
503	E	34.9	Very low	40	Very low	198 Å²	198	124.4 Å²	124.4	93%	0.925	76%	0.76	S	S	*	*			trans	-156.4	129.7	150.3	-117.4	165.7	-149.8	0	0	111.7	D501	D501-E503 PolarHBondContact O-N 3.04Å
504	A	32.6	Very low	38.9	Very low	107 Å²	107	122.6 Å²	122.6	88%	0.884	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-97.2	121.9	-177	0	0	0	0	0	110.6
505	A	29	Very low	39.1	Very low	82 Å²	82	128.5 Å²	128.5	68%	0.678	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-100.9	149.2	168.4	0	0	0	0	0	110.1
506	P	35.5	Very low	40.5	Very low	130 Å²	130	125.2 Å²	125.2	84%	0.844	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-76	147.5	-167.2	30.3	-35.6	0	0	0	113.7
507	E	32.4	Very low	42.4	Very low	194 Å²	194	122.3 Å²	122.3	91%	0.907	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-72.8	137.2	178.5	-58.5	176.8	143.7	0	0	112.3
508	T	28.7	Very low	44.5	Very low	141 Å²	141	121.5 Å²	121.5	87%	0.865	72%	0.717	S	S	*	*			trans	-129.9	149.8	152.4	49.8	0	0	0	0	110.3
509	T	29.3	Very low	46.9	Very low	142 Å²	142	116 Å²	116	87%	0.871	69%	0.691	S	S	*	*			trans	-79.8	122.9	-159	46.9	0	0	0	0	114.4
510	S	30.4	Very low	49.5	Very low	122 Å²	122	108.8 Å²	108.8	85%	0.853	65%	0.652	S	S	*	*				153.7	110.7	108.7	-162.2	0	0	0	0	113.3
511	G	27.5	Very low	51.8	Low	81 Å²	81	106.4 Å²	106.4	84%	0.835	63%	0.631	S	S	*	*			trans	79	93.2	152.8	0	0	0	0	0	120.4
512	G	32.1	Very low	54.3	Low	74 Å²	74	99.4 Å²	99.4	76%	0.763	60%	0.596	S	S	*	*			trans	118.9	126.7	149	0	0	0	0	0	116.9	A514	G512-A514 PolarHBondContact O-N 3.28Å; G512-A514 VanDerWaalsContact O-N 3.12Å
513	N	42.9	Very low	56.5	Low	163 Å²	163	94 Å²	94	87%	0.872	56%	0.562	S	S	*	*			trans	-76.4	90.6	-175.9	-71	-21.1	0	0	0	113.5
514	A	54.1	Low	59.1	Low	30 Å²	30	84.6 Å²	84.6	25%	0.248	52%	0.518	C	S	.	.			trans	-154.5	139.4	158.3	0	0	0	0	0	110.6	W492 G512	W492-A514 HydrophobicContact CD2-CB 4.09Å; W492-A514 HydrophobicContact CE3-CB 3.94Å; W492-A514 HydrophobicContact CH2-CB 3.18Å; W492-A514 HydrophobicContact CZ2-CB 3.35Å; W492-A514 HydrophobicContact CZ3-CB 3.46Å; W492-A514 VanDerWaalsContact CZ3-CB 3.46Å; G512-A514 PolarHBondContact O-N 3.28Å; G512-A514 VanDerWaalsContact O-N 3.12Å
515	R	68.5	Low	61.6	Low	192 Å²	192	79.5 Å²	79.5	73%	0.725	48%	0.476	S	S	*	.			trans	-105	105.5	171.9	-91.8	-176.1	168.8	175	-4.3	108	Q493	Q493-R515 CarbonylContact O-C 3.58Å; Q493-R515 PolarHBondContact O-N 3.23Å
516	M	82.5	Confident	64.2	Low	40 Å²	40	75.6 Å²	75.6	20%	0.197	44%	0.444	C	S	.	.			trans	-52.6	142.1	164.4	-76.1	156	151.7	0	0	109.8	A357 K359 T487 A490 C491 W492 F519	A357-M516 HydrophobicContact CB-CE 3.93Å; A357-M516 HydrophobicContact CB-SD 3.73Å; K359-M516 HydrophobicContact CG-CE 3.7Å; T487-M516 HydrophobicContact CG2-CE 3.91Å; A490-M516 HydrophobicContact CB-CB 4.01Å; A490-M516 HydrophobicContact CB-CG 4.5Å; C491-M516 WeakPolarHBondContact O-CA 3.45Å; W492-M516 HydrophobicContact CE3-CG 4.37Å; M516-F519 HydrophobicContact CB-CE1 3.92Å; M516-F519 HydrophobicContact CB-CE2 4.43Å; M516-F519 HydrophobicContact CB-CZ 3.63Å; M516-F519 WeakPolarHBondContact O-CE2 3.36Å; M516-F519 WeakPolarHBondContact O-CZ 3.38Å
517	A	84.7	Confident	66.8	Low	24 Å²	24	69.4 Å²	69.4	20%	0.198	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-136.5	168.5	-176.7	0	0	0	0	0	110.6	A490 C491 Q493	A490-A517 WeakPolarHBondContact CB-O 3.17Å; C491-A517 PolarHBondContact N-O 2.99Å; C491-A517 PolarHBondContact O-N 3.21Å; Q493-A517 HydrophobicContact CB-CB 4.33Å
518	Q	88.9	Confident	69.5	Low	49 Å²	49	60.4 Å²	60.4	23%	0.229	36%	0.361	C	S	.	.	S	Bend	trans	59.5	45.6	179.5	-59.2	154.8	38	0	0	111.8	K388 T390	K388-Q518 HydrophobicContact CB-CG 4.32Å; K388-Q518 HydrophobicContact CD-CG 4.22Å; K388-Q518 VanDerWaalsContact CE-OE1 3.22Å; K388-Q518 HydrophobicContact CG-CG 4.34Å; K388-Q518 WeakPolarHBondContact O-CA 3.37Å; K388-Q518 VanDerWaalsContact O-CB 3.32Å; K388-Q518 WeakPolarHBondContact O-CB 3.33Å; T390-Q518 WeakPolarHBondContact CB-O 3.46Å; T390-Q518 PolarHBondContact N-O 3.02Å; T390-Q518 WeakPolarHBondContact OG1-CB 3.26Å; T390-Q518 PolarHBondContact OG1-OE1 2.82Å
519	F	90.8	Very high	72.4	Confident	57 Å²	57	53.7 Å²	53.7	25%	0.25	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-62.3	136.2	-178.1	-67.9	-87.2	0	0	0	112.4	G354 T355 A357 G489 A490 M516	G354-F519 VanDerWaalsContact C-CB 3.46Å; G354-F519 WeakPolarHBondContact O-CB 3.45Å; G354-F519 WeakPolarHBondContact O-CG 3.39Å; T355-F519 WeakPolarHBondContact O-CE1 3.37Å; A357-F519 HydrophobicContact CB-CD1 4.23Å; A357-F519 HydrophobicContact CB-CE1 4.02Å; G489-F519 CarbonylContact O-C 3.6Å; G489-F519 VanDerWaalsContact O-CA 3.3Å; G489-F519 WeakPolarHBondContact O-CA 3.39Å; A490-F519 HydrophobicContact CB-CD1 3.67Å; A490-F519 HydrophobicContact CB-CE1 3.94Å; A490-F519 HydrophobicContact CB-CG 4.17Å; M516-F519 HydrophobicContact CB-CE1 3.92Å; M516-F519 HydrophobicContact CB-CE2 4.43Å; M516-F519 HydrophobicContact CB-CZ 3.63Å; M516-F519 WeakPolarHBondContact O-CE2 3.36Å; M516-F519 WeakPolarHBondContact O-CZ 3.38Å
520	F	92.3	Very high	75.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.281	C	S	.	.			trans	-74.1	147.4	174.9	-178.2	-109.8	0	0	0	112.1	F352 G354 M379 H381 E389 I391 G489 L524	F352-F520 HydrophobicContact CB-CD1 3.82Å; F352-F520 HydrophobicContact CD2-CD1 4.22Å; F352-F520 HydrophobicContact CG-CD1 4.07Å; G354-F520 VanDerWaalsContact CA-O 3.3Å; G354-F520 WeakPolarHBondContact CA-O 3.11Å; G354-F520 PolarHBondContact N-O 2.74Å; G354-F520 VanDerWaalsContact N-O 3.12Å; M379-F520 HydrophobicContact CG-CE2 4.34Å; M379-F520 HydrophobicContact CG-CZ 3.73Å; M379-F520 HydrophobicContact SD-CE2 3.7Å; M379-F520 HydrophobicContact SD-CZ 3.72Å; H381-F520 AromaticContact CD2-CE2 3.74Å; E389-F520 HydrophobicContact CB-CD2 4.44Å; I391-F520 HydrophobicContact CG1-CD2 4.03Å; I391-F520 HydrophobicContact CG1-CE2 4.11Å; G489-F520 PolarHBondContact O-N 2.88Å; F520-L524 HydrophobicContact CD1-CD1 4.05Å; F520-L524 HydrophobicContact CD1-CD2 4.28Å; F520-L524 HydrophobicContact CD1-CG 4Å; F520-L524 HydrophobicContact CE1-CD1 4.2Å; F520-L524 HydrophobicContact CE1-CD2 3.63Å; F520-L524 HydrophobicContact CE1-CG 3.66Å; F520-L524 HydrophobicContact CZ-CD2 3.9Å; F520-L524 HydrophobicContact CZ-CG 4.43Å
521	R	91.2	Very high	77.7	Confident	116 Å²	116	44 Å²	44	44%	0.438	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	115.5	175.5	-65.5	176.8	180	-137.1	-3.1	110.5	F352 H381 G382	F352-R521 VanDerWaalsContact O-CA 3.32Å; F352-R521 WeakPolarHBondContact O-CA 3.43Å; H381-R521 PolarHBondContact CD2-O 3.09Å; G382-R521 PolarHBondContact N-O 3.43Å
522	G	89.8	Confident	80.2	Confident	9 Å²	9	41.5 Å²	41.5	9%	0.093	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142	-156.3	-178.4	0	0	0	0	0	111.8	F352 R380	F352-G522 PolarHBondContact N-O 3.39Å; F352-G522 PolarHBondContact O-N 2.76Å; R380-G522 WeakPolarHBondContact O-CA 3.41Å
523	N	88.2	Confident	82.6	Confident	23 Å²	23	43.5 Å²	43.5	12%	0.123	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.5	-178.5	-56.5	92.4	0	0	0	110.3	V349 F350 R380 W445	V349-N523 HydrophobicContact CG1-CB 4.11Å; F350-N523 WeakPolarHBondContact O-CA 3.25Å; R380-N523 HydrophobicContact CB-CB 4.46Å; R380-N523 PolarHBondContact N-O 3.01Å; R380-N523 PolarHBondContact O-N 3.42Å; W445-N523 HydrophobicContact CH2-CB 3.42Å; W445-N523 VanDerWaalsContact CH2-CB 3.42Å; W445-N523 HydrophobicContact CZ2-CB 3.32Å
524	L	89.8	Confident	84.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.7	174.2	-58.5	176.2	0	0	0	110	L325 F350 F352 V377 W378 M379 I391 V488 F520	L325-L524 HydrophobicContact CD1-CB 3.86Å; F350-L524 PolarHBondContact N-O 2.92Å; F350-L524 PolarHBondContact O-N 2.79Å; F352-L524 HydrophobicContact CD2-CB 4.4Å; F352-L524 HydrophobicContact CD2-CD1 4.09Å; F352-L524 HydrophobicContact CD2-CG 4.1Å; F352-L524 HydrophobicContact CE2-CB 3.94Å; F352-L524 HydrophobicContact CE2-CD1 3.74Å; F352-L524 HydrophobicContact CE2-CG 3.96Å; F352-L524 HydrophobicContact CZ-CD1 4.16Å; V377-L524 HydrophobicContact CG2-CD2 4.11Å; W378-L524 WeakPolarHBondContact O-CA 3.31Å; M379-L524 HydrophobicContact CB-CD2 3.89Å; M379-L524 HydrophobicContact CG-CD2 3.77Å; M379-L524 HydrophobicContact SD-CD2 4.45Å; I391-L524 HydrophobicContact CG2-CD1 3.93Å; I391-L524 HydrophobicContact CG2-CD2 4.1Å; V488-L524 HydrophobicContact CG1-CD1 4.27Å; F520-L524 HydrophobicContact CD1-CD1 4.05Å; F520-L524 HydrophobicContact CD1-CD2 4.28Å; F520-L524 HydrophobicContact CD1-CG 4Å; F520-L524 HydrophobicContact CE1-CD1 4.2Å; F520-L524 HydrophobicContact CE1-CD2 3.63Å; F520-L524 HydrophobicContact CE1-CG 3.66Å; F520-L524 HydrophobicContact CZ-CD2 3.9Å; F520-L524 HydrophobicContact CZ-CG 4.43Å
525	A	86.1	Confident	86.4	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153	171.7	0	0	0	0	0	110.5	Q348 V349 W378 W445 L527	Q348-A525 WeakPolarHBondContact O-CB 3.45Å; V349-A525 HydrophobicContact CG2-CB 4.37Å; W378-A525 HydrophobicContact CB-CB 4.15Å; W378-A525 WeakPolarHBondContact CB-O 3.46Å; W378-A525 PolarHBondContact N-O 2.88Å; W378-A525 PolarHBondContact O-N 2.86Å; W445-A525 HydrophobicContact CH2-CB 4.38Å; W445-A525 HydrophobicContact CZ3-CB 4.28Å; A525-L527 VanDerWaalsContact C-N 3.29Å; A525-L527 PolarHBondContact O-N 3.18Å
526	G	83.4	Confident	87.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.4	28.5	171.5	0	0	0	0	0	116.2	I528	G526-I528 WeakPolarHBondContact O-CG1 3.05Å; G526-I528 PolarHBondContact O-N 3.11Å
527	L	90.2	Very high	87.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	107	-179.5	177.5	61.5	0	0	0	110.6	L324 L325 I375 S376 V377 L392 V488 A525	L324-L527 HydrophobicContact CB-CD2 4.13Å; L324-L527 HydrophobicContact CB-CG 4.11Å; L324-L527 HydrophobicContact CD1-CD2 4.09Å; L324-L527 HydrophobicContact CD1-CG 4.11Å; L324-L527 HydrophobicContact CG-CG 4.42Å; L324-L527 PolarHBondContact N-O 3.09Å; L325-L527 HydrophobicContact CB-CB 4.43Å; L325-L527 HydrophobicContact CD1-CB 3.76Å; L325-L527 HydrophobicContact CD1-CD2 4.2Å; L325-L527 HydrophobicContact CG-CB 3.98Å; L325-L527 HydrophobicContact CG-CD2 4.29Å; I375-L527 HydrophobicContact CG2-CD1 4.2Å; S376-L527 WeakPolarHBondContact O-CA 3.42Å; V377-L527 HydrophobicContact CB-CB 4.49Å; V377-L527 HydrophobicContact CB-CD1 3.76Å; V377-L527 HydrophobicContact CG2-CB 4.01Å; V377-L527 HydrophobicContact CG2-CD1 3.89Å; V377-L527 HydrophobicContact CG2-CG 4.48Å; L392-L527 HydrophobicContact CD1-CD2 4.39Å; V488-L527 HydrophobicContact CB-CD2 4.29Å; V488-L527 HydrophobicContact CG1-CD2 3.53Å; V488-L527 HydrophobicContact CG2-CD2 3.71Å; A525-L527 VanDerWaalsContact C-N 3.29Å; A525-L527 PolarHBondContact O-N 3.18Å
528	I	88.3	Confident	87.7	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.7	-174.3	-68.2	162.1	0	0	0	110.3	E308 T321 V322 E323 I375 S376 G526	E308-I528 HydrophobicContact CB-CD1 4.27Å; T321-I528 HydrophobicContact CG2-CG2 3.91Å; V322-I528 CarbonylContact O-C 3.47Å; V322-I528 VanDerWaalsContact O-CA 3.32Å; V322-I528 WeakPolarHBondContact O-CA 3.27Å; E323-I528 HydrophobicContact CB-CG1 4.36Å; E323-I528 HydrophobicContact CG-CG1 4.36Å; I375-I528 WeakPolarHBondContact CA-O 3.03Å; S376-I528 PolarHBondContact N-O 3.34Å; S376-I528 PolarHBondContact O-N 3.29Å; G526-I528 WeakPolarHBondContact O-CG1 3.05Å; G526-I528 PolarHBondContact O-N 3.11Å
529	I	89.2	Confident	87.7	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.3	165.9	-58.4	-174	0	0	0	109.3	V322 L324 V365 T374 I375 L392 L486	V322-I529 PolarHBondContact N-O 2.84Å; V322-I529 PolarHBondContact O-N 2.94Å; L324-I529 HydrophobicContact CD1-CD1 3.73Å; L324-I529 HydrophobicContact CD1-CG1 3.95Å; L324-I529 HydrophobicContact CG-CG1 4.41Å; V365-I529 HydrophobicContact CG1-CG2 4.39Å; T374-I529 WeakPolarHBondContact O-CA 3.02Å; I375-I529 HydrophobicContact CG1-CG1 4.41Å; L392-I529 HydrophobicContact CD2-CD1 3.9Å; L486-I529 HydrophobicContact CD2-CD1 4.48Å
530	R	86.7	Confident	87.5	Confident	14 Å²	14	37.6 Å²	37.6	5%	0.053	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	116.2	175.9	-176.7	-180	175.9	-158.7	-6	110.1	S318 T321 F373 T374 E535	S318-R530 PolarHBondContact OG-NH2 3.47Å; T321-R530 HydrophobicContact CG2-CB 4.2Å; T321-R530 HydrophobicContact CG2-CG 4.2Å; F373-R530 CarbonylContact C-O 3.54Å; F373-R530 WeakPolarHBondContact CA-O 3.39Å; F373-R530 VanDerWaalsContact CB-O 3.3Å; F373-R530 WeakPolarHBondContact CB-O 3.35Å; T374-R530 PolarHBondContact N-O 3.38Å; T374-R530 PolarHBondContact O-N 2.81Å; R530-E535 IonicContact CZ-OE1 3.06Å; R530-E535 IonicContact CZ-OE2 3.98Å; R530-E535 IonicContact NH1-OE1 3.06Å; R530-E535 PolarHBondContact NH1-OE1 2.89Å; R530-E535 IonicContact NH1-OE2 2.78Å; R530-E535 PolarHBondContact NH1-OE2 3.32Å
531	S	85.1	Confident	87.3	Confident	46 Å²	46	40 Å²	40	32%	0.322	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	148.9	-179.9	-55.4	0	0	0	0	112.3	K533	S531-K533 VanDerWaalsContact C-N 3.27Å; S531-K533 PolarHBondContact O-N 3.39Å
532	G	80.8	Confident	87	Confident	29 Å²	29	37.3 Å²	37.3	30%	0.299	20%	0.197	S	C	.	.	S	Bend	trans	80.5	-8.5	172.8	0	0	0	0	0	116	P372	P372-G532 CarbonylContact O-C 3.36Å; P372-G532 VanDerWaalsContact O-CA 3.28Å; P372-G532 WeakPolarHBondContact O-CA 3.5Å; P372-G532 PolarHBondContact O-N 3.31Å
533	K	81.9	Confident	86.6	Confident	116 Å²	116	37 Å²	37	50%	0.504	19%	0.193	S	C	.	.			trans	-147.8	141.8	178.1	-69.1	-178.2	-176.2	169.4	0	111.9	S318 P372 T374 S531	S318-K533 WeakPolarHBondContact OG-CD 3.39Å; S318-K533 PolarHBondContact OG-NZ 3.2Å; P372-K533 PolarHBondContact O-N 3.16Å; T374-K533 PolarHBondContact OG1-O 3.02Å; S531-K533 VanDerWaalsContact C-N 3.27Å; S531-K533 PolarHBondContact O-N 3.39Å
534	L	87.5	Confident	86.2	Confident	56 Å²	56	37 Å²	37	29%	0.293	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-81.9	154	169.5	-56.8	178.9	0	0	0	111.2	P372 T374 N451 E453	P372-L534 HydrophobicContact CB-CD2 3.81Å; P372-L534 HydrophobicContact CB-CG 4.14Å; T374-L534 WeakPolarHBondContact OG1-CA 3.5Å; N451-L534 HydrophobicContact CB-CD2 4.09Å; E453-L534 HydrophobicContact CB-CD1 4.04Å; E453-L534 HydrophobicContact CB-CD2 4.39Å
535	E	88.1	Confident	85.8	Confident	10 Å²	10	40.5 Å²	40.5	5%	0.047	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-81.8	138.3	174.1	-159.5	58.9	-90	0	0	111.9	H312 T374 N451 R530 V539 I540	H312-E535 IonicContact CE1-OE2 2.85Å; H312-E535 IonicContact ND1-OE2 2.71Å; T374-E535 HydrophobicContact CG2-CB 3.94Å; T374-E535 PolarHBondContact OG1-N 2.84Å; T374-E535 VanDerWaalsContact OG1-N 3.17Å; N451-E535 PolarHBondContact ND2-O 3.24Å; N451-E535 PolarHBondContact OD1-N 3.06Å; R530-E535 IonicContact CZ-OE1 3.06Å; R530-E535 IonicContact CZ-OE2 3.98Å; R530-E535 IonicContact NH1-OE1 3.06Å; R530-E535 PolarHBondContact NH1-OE1 2.89Å; R530-E535 IonicContact NH1-OE2 2.78Å; R530-E535 PolarHBondContact NH1-OE2 3.32Å; E535-V539 HydrophobicContact CG-CB 4.02Å; E535-V539 HydrophobicContact CG-CG1 3.94Å; E535-I540 HydrophobicContact CB-CD1 4.46Å; E535-I540 HydrophobicContact CB-CG1 4.32Å; E535-I540 HydrophobicContact CG-CG1 3.99Å
536	N	89.1	Confident	85.5	Confident	95 Å²	95	40.9 Å²	40.9	51%	0.508	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-80	138	-178.6	-175.5	-24.9	0	0	0	109.7	K538 V539 I540	N536-K538 PolarHBondContact O-N 2.73Å; N536-K538 VanDerWaalsContact O-N 3.07Å; N536-K538 PolarHBondContact OD1-N 2.91Å; N536-V539 HydrophobicContact CB-CG2 4.14Å; N536-V539 WeakPolarHBondContact O-CA 3.4Å; N536-V539 WeakPolarHBondContact O-CB 3.47Å; N536-V539 PolarHBondContact O-N 3.31Å; N536-I540 PolarHBondContact O-N 3.46Å
537	K	87.3	Confident	85.5	Confident	98 Å²	98	45.6 Å²	45.6	43%	0.426	24%	0.236	S	C	.	.	H	α-helix	trans	-50.5	-35.8	174.9	177.4	161.8	173.2	57.4	0	112.9	G463 V539 I540 D541	G463-K537 PolarHBondContact O-NZ 2.01Å; K537-V539 VanDerWaalsContact C-N 3.28Å; K537-V539 PolarHBondContact O-N 2.85Å; K537-I540 PolarHBondContact O-N 2.82Å; K537-D541 WeakPolarHBondContact CE-OD2 3.46Å; K537-D541 VanDerWaalsContact CG-OD2 3.3Å; K537-D541 WeakPolarHBondContact CG-OD2 3.42Å; K537-D541 VanDerWaalsContact NZ-CG 3.3Å; K537-D541 IonicContact NZ-OD1 3.15Å; K537-D541 PolarHBondContact NZ-OD1 3.09Å; K537-D541 IonicContact NZ-OD2 3.78Å; K537-D541 PolarHBondContact NZ-OD2 2.96Å; K537-D541 VanDerWaalsContact NZ-OD2 3.15Å; K537-D541 WeakPolarHBondContact O-CB 3.39Å; K537-D541 PolarHBondContact O-N 3.03Å
538	K	88.1	Confident	85.3	Confident	164 Å²	164	45.6 Å²	45.6	71%	0.713	24%	0.236	S	C	*	.	H	α-helix	trans	-60.7	-34.1	174.3	-68.3	-169.5	175.9	-169.5	0	114.1	N536 C542	N536-K538 PolarHBondContact O-N 2.73Å; N536-K538 VanDerWaalsContact O-N 3.07Å; N536-K538 PolarHBondContact OD1-N 2.91Å; K538-C542 WeakPolarHBondContact O-CB 3.35Å; K538-C542 PolarHBondContact O-N 2.83Å; K538-C542 VanDerWaalsContact O-N 3.07Å
539	V	87.9	Confident	85.4	Confident	8 Å²	8	45.5 Å²	45.5	5%	0.048	24%	0.236	C	C	.	.	H	α-helix	trans	-75.8	-43	176.7	179.6	0	0	0	0	109.4	C315 A317 E535 N536 K537 C542 L543	C315-V539 HydrophobicContact CB-CG1 4.02Å; A317-V539 HydrophobicContact CB-CG1 4.09Å; E535-V539 HydrophobicContact CG-CB 4.02Å; E535-V539 HydrophobicContact CG-CG1 3.94Å; N536-V539 HydrophobicContact CB-CG2 4.14Å; N536-V539 WeakPolarHBondContact O-CA 3.4Å; N536-V539 WeakPolarHBondContact O-CB 3.47Å; N536-V539 PolarHBondContact O-N 3.31Å; K537-V539 VanDerWaalsContact C-N 3.28Å; K537-V539 PolarHBondContact O-N 2.85Å; V539-C542 PolarHBondContact O-N 2.83Å; V539-L543 HydrophobicContact CG1-CD1 3.87Å; V539-L543 HydrophobicContact CG1-CG 4.3Å; V539-L543 WeakPolarHBondContact O-CB 3.46Å; V539-L543 WeakPolarHBondContact O-CG 3.39Å; V539-L543 PolarHBondContact O-N 2.88Å
540	I	87.6	Confident	85.5	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-47.7	175.4	-57.1	173.5	0	0	0	110.6	V449 F460 E535 N536 K537 L543 Y544	V449-I540 HydrophobicContact CB-CD1 4.34Å; V449-I540 HydrophobicContact CG1-CD1 3.93Å; V449-I540 HydrophobicContact CG1-CG1 4.25Å; V449-I540 HydrophobicContact CG2-CG2 4.28Å; F460-I540 HydrophobicContact CB-CD1 4.48Å; F460-I540 HydrophobicContact CB-CG2 4.24Å; F460-I540 HydrophobicContact CD1-CD1 4.42Å; F460-I540 HydrophobicContact CD2-CD1 3.65Å; F460-I540 HydrophobicContact CE2-CD1 3.94Å; F460-I540 HydrophobicContact CG-CD1 3.93Å; F460-I540 HydrophobicContact CZ-CD1 4.44Å; E535-I540 HydrophobicContact CB-CD1 4.46Å; E535-I540 HydrophobicContact CB-CG1 4.32Å; E535-I540 HydrophobicContact CG-CG1 3.99Å; N536-I540 PolarHBondContact O-N 3.46Å; K537-I540 PolarHBondContact O-N 2.82Å; I540-L543 PolarHBondContact O-N 2.84Å; I540-Y544 WeakPolarHBondContact O-CB 3.17Å; I540-Y544 PolarHBondContact O-N 3.45Å
541	D	86.4	Confident	85.7	Confident	49 Å²	49	46.4 Å²	46.4	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-61.8	-45.5	177.5	-63.6	-13.7	0	0	0	110.5	K537 L543 Y544 T545	K537-D541 WeakPolarHBondContact CE-OD2 3.46Å; K537-D541 VanDerWaalsContact CG-OD2 3.3Å; K537-D541 WeakPolarHBondContact CG-OD2 3.42Å; K537-D541 VanDerWaalsContact NZ-CG 3.3Å; K537-D541 IonicContact NZ-OD1 3.15Å; K537-D541 PolarHBondContact NZ-OD1 3.09Å; K537-D541 IonicContact NZ-OD2 3.78Å; K537-D541 PolarHBondContact NZ-OD2 2.96Å; K537-D541 VanDerWaalsContact NZ-OD2 3.15Å; K537-D541 WeakPolarHBondContact O-CB 3.39Å; K537-D541 PolarHBondContact O-N 3.03Å; D541-L543 PolarHBondContact O-N 3.19Å; D541-Y544 PolarHBondContact O-N 3.11Å; D541-T545 WeakPolarHBondContact O-CB 3.32Å; D541-T545 PolarHBondContact O-N 2.91Å; D541-T545 PolarHBondContact O-OG1 3.47Å
542	C	85.8	Confident	85.9	Confident	61 Å²	61	45.1 Å²	45.1	41%	0.412	23%	0.232	S	C	.	.	H	α-helix	trans	-61.9	-37.7	174.9	175.5	0	0	0	0	113.8	C315 K538 V539 Y544	C315-C542 WeakPolarHBondContact CA-SG 3.39Å; C315-C542 HydrophobicContact CB-CB 3.7Å; C315-C542 WeakPolarHBondContact CB-SG 3.49Å; C315-C542 WeakPolarHBondContact SG-CB 3.32Å; C315-C542 CovalentContact SG-SG 2.05Å; C315-C542 PolarHBondContact SG-SG 2.66Å; K538-C542 WeakPolarHBondContact O-CB 3.35Å; K538-C542 PolarHBondContact O-N 2.83Å; K538-C542 VanDerWaalsContact O-N 3.07Å; V539-C542 PolarHBondContact O-N 2.83Å; C542-Y544 VanDerWaalsContact C-N 3.3Å
543	L	81.7	Confident	85.9	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-69.3	-30.2	177.3	-76.7	167.1	0	0	0	112	R303 L311 H312 V539 I540 D541	R303-L543 VanDerWaalsContact CZ-O 3.23Å; R303-L543 PolarHBondContact NH1-O 3.21Å; R303-L543 PolarHBondContact NH2-O 2.9Å; L311-L543 HydrophobicContact CB-CD2 4.15Å; L311-L543 HydrophobicContact CD2-CD2 3.84Å; L311-L543 HydrophobicContact CG-CD2 3.86Å; H312-L543 VanDerWaalsContact CE1-CD1 3.41Å; H312-L543 WeakPolarHBondContact CE1-CD1 3.37Å; H312-L543 WeakPolarHBondContact NE2-CD1 3.38Å; V539-L543 HydrophobicContact CG1-CD1 3.87Å; V539-L543 HydrophobicContact CG1-CG 4.3Å; V539-L543 WeakPolarHBondContact O-CB 3.46Å; V539-L543 WeakPolarHBondContact O-CG 3.39Å; V539-L543 PolarHBondContact O-N 2.88Å; I540-L543 PolarHBondContact O-N 2.84Å; D541-L543 PolarHBondContact O-N 3.19Å
544	Y	79.1	Confident	85.7	Confident	24 Å²	24	46.1 Å²	46.1	9%	0.094	23%	0.232	C	C	.	.	H	α-helix	trans	-91.9	-38.4	-177.3	169.8	-100.4	0	0	0	113.5	W378 D462 I540 D541 C542 C546 P568 N569	W378-Y544 HydrophobicContact CH2-CD2 4.38Å; D462-Y544 HydrophobicContact CB-CD2 3.85Å; D462-Y544 HydrophobicContact CB-CE2 3.33Å; I540-Y544 WeakPolarHBondContact O-CB 3.17Å; I540-Y544 PolarHBondContact O-N 3.45Å; D541-Y544 PolarHBondContact O-N 3.11Å; C542-Y544 VanDerWaalsContact C-N 3.3Å; Y544-C546 PolarHBondContact O-N 3.32Å; Y544-P568 HydrophobicContact CE1-CB 3.84Å; Y544-P568 WeakPolarHBondContact CE1-O 3.42Å; Y544-P568 VanDerWaalsContact OH-C 3.31Å; Y544-P568 WeakPolarHBondContact OH-CB 3.26Å; Y544-N569 PolarHBondContact OH-N 3.19Å
545	T	81.1	Confident	85	Confident	73 Å²	73	46.6 Å²	46.6	45%	0.448	24%	0.238	S	C	.	.	S	Bend	trans	-61.9	124.8	-174.9	-62.5	0	0	0	0	112.2	D541	D541-T545 WeakPolarHBondContact O-CB 3.32Å; D541-T545 PolarHBondContact O-N 2.91Å; D541-T545 PolarHBondContact O-OG1 3.47Å
546	C	80.6	Confident	84	Confident	9 Å²	9	54.9 Å²	54.9	6%	0.061	28%	0.277	C	S	.	.			trans	-66.1	143.6	177.3	-54.7	0	0	0	0	112.1	C301 Y544 E548 N569	C301-C546 HydrophobicContact CB-CB 3.56Å; C301-C546 WeakPolarHBondContact CB-SG 3.49Å; C301-C546 VanDerWaalsContact SG-CA 3.59Å; C301-C546 WeakPolarHBondContact SG-CB 3.15Å; C301-C546 CovalentContact SG-SG 2.01Å; C301-C546 PolarHBondContact SG-SG 3Å; Y544-C546 PolarHBondContact O-N 3.32Å; C546-E548 WeakPolarHBondContact CB-O 3.42Å; C546-N569 PolarHBondContact SG-O 2.98Å
547	K	82.3	Confident	82.8	Confident	99 Å²	99	58.7 Å²	58.7	43%	0.43	29%	0.292	S	S	.	.	S	Bend	trans	-88.6	-12.8	169.9	-72.8	-172.2	179.6	-178.8	0	113.6	S595 R596	K547-S595 WeakPolarHBondContact CA-OG 3.33Å; K547-S595 WeakPolarHBondContact CB-OG 3.44Å; K547-S595 PolarHBondContact O-N 3.35Å; K547-S595 PolarHBondContact O-OG 2.94Å; K547-R596 HydrophobicContact CB-CG 4.09Å; K547-R596 HydrophobicContact CD-CG 4.39Å
548	E	86.4	Confident	81.8	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.2	178.5	-174.6	-177.1	141.9	0	0	109	T294 H296 D302 C546 Y592 L593 N594 R604	T294-E548 HydrophobicContact CG2-CG 4.31Å; H296-E548 IonicContact NE2-OE1 3.07Å; D302-E548 HydrophobicContact CB-CB 4.36Å; C546-E548 WeakPolarHBondContact CB-O 3.42Å; E548-Y592 HydrophobicContact CG-CE2 3.69Å; E548-Y592 WeakPolarHBondContact CG-OH 3.12Å; E548-Y592 PolarHBondContact OE1-OH 3.18Å; E548-L593 WeakPolarHBondContact CA-O 3.34Å; E548-N594 VanDerWaalsContact CD-ND2 3.34Å; E548-N594 HydrophobicContact CG-CB 4.35Å; E548-N594 VanDerWaalsContact CG-ND2 3.34Å; E548-N594 WeakPolarHBondContact CG-ND2 3.5Å; E548-N594 PolarHBondContact OE2-ND2 2.81Å; E548-R604 WeakPolarHBondContact OE1-CD 3.46Å; E548-R604 IonicContact OE1-CZ 2.76Å; E548-R604 IonicContact OE1-NE 3.34Å; E548-R604 PolarHBondContact OE1-NE 3.11Å; E548-R604 IonicContact OE1-NH2 3.41Å; E548-R604 IonicContact OE2-CZ 2.63Å; E548-R604 IonicContact OE2-NE 3.26Å; E548-R604 IonicContact OE2-NH2 2.71Å; E548-R604 PolarHBondContact OE2-NH2 3.17Å
549	G	90.1	Very high	80.8	Confident	2 Å²	2	49.9 Å²	49.9	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.3	-167.4	-179.1	0	0	0	0	0	114.1	L593	G549-L593 PolarHBondContact N-O 3.13Å; G549-L593 PolarHBondContact O-N 2.85Å
550	L	91.8	Very high	79.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	135.5	171.6	-61.2	173.5	0	0	0	110.3	L270 I290 L292 F566 Q570 L573 I590 S591 L606	L270-L550 HydrophobicContact CD1-CD2 3.78Å; I290-L550 HydrophobicContact CB-CD1 4.21Å; I290-L550 HydrophobicContact CG2-CD1 3.86Å; L292-L550 HydrophobicContact CB-CD1 4.21Å; L292-L550 HydrophobicContact CB-CD2 4.15Å; L292-L550 HydrophobicContact CB-CG 4.03Å; L292-L550 HydrophobicContact CD2-CD2 4.16Å; L292-L550 HydrophobicContact CD2-CG 4.2Å; L550-F566 WeakPolarHBondContact O-CE1 3.25Å; L550-Q570 PolarHBondContact N-O 3.39Å; L550-L573 HydrophobicContact CD1-CB 4.03Å; L550-I590 HydrophobicContact CD2-CG2 4.37Å; L550-S591 WeakPolarHBondContact CA-O 3.39Å; L550-L606 HydrophobicContact CD2-CD2 4.34Å
551	D	90.7	Very high	79.3	Confident	33 Å²	33	57.2 Å²	57.2	18%	0.176	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.2	175.2	178.4	35.5	0	0	0	110.5	S267 Q553 S591 L593	S267-D551 PolarHBondContact OG-OD2 3.23Å; D551-Q553 WeakPolarHBondContact OD2-CG 3.1Å; D551-Q553 PolarHBondContact OD2-NE2 2.75Å; D551-S591 PolarHBondContact N-O 3.17Å; D551-S591 PolarHBondContact O-N 2.77Å; D551-S591 PolarHBondContact O-OG 2.8Å; D551-L593 HydrophobicContact CB-CB 3.9Å; D551-L593 HydrophobicContact CB-CD2 4.09Å
552	V	88.8	Confident	79.2	Confident	20 Å²	20	55.4 Å²	55.4	12%	0.121	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	102.8	-174.3	177.5	0	0	0	0	109.9	L554 V564 F566 L573 V586 I590	V552-L554 HydrophobicContact CG1-CD1 3.76Å; V552-L554 HydrophobicContact CG1-CD2 4.22Å; V552-L554 HydrophobicContact CG1-CG 3.67Å; V552-V564 HydrophobicContact CG1-CG1 4.47Å; V552-F566 HydrophobicContact CB-CE2 4.47Å; V552-F566 HydrophobicContact CB-CZ 3.77Å; V552-F566 HydrophobicContact CG2-CE1 4.17Å; V552-F566 HydrophobicContact CG2-CZ 3.62Å; V552-L573 HydrophobicContact CG2-CD1 4.36Å; V552-L573 HydrophobicContact CG2-CD2 3.42Å; V552-L573 VanDerWaalsContact CG2-CD2 3.42Å; V552-V586 HydrophobicContact CG1-CG1 4.47Å; V552-I590 HydrophobicContact CG2-CG1 4.11Å
553	Q	81.4	Confident	79.3	Confident	117 Å²	117	57.8 Å²	57.8	55%	0.547	32%	0.315	S	S	.	.			trans	-99.1	98.2	-177.7	-61.7	-176	14.9	0	0	110	S267 D551 H589	S267-Q553 PolarHBondContact OG-NE2 3.38Å; D551-Q553 WeakPolarHBondContact OD2-CG 3.1Å; D551-Q553 PolarHBondContact OD2-NE2 2.75Å; Q553-H589 PolarHBondContact O-CD2 3.5Å
554	L	78	Confident	79.7	Confident	49 Å²	49	59.5 Å²	59.5	26%	0.257	33%	0.325	S	S	.	.			trans	-103	137.3	-175.4	-69.6	168.7	0	0	0	113.1	V552 V558 A559 V564 V586 H589	V552-L554 HydrophobicContact CG1-CD1 3.76Å; V552-L554 HydrophobicContact CG1-CD2 4.22Å; V552-L554 HydrophobicContact CG1-CG 3.67Å; L554-V558 HydrophobicContact CD2-CG1 4.31Å; L554-A559 HydrophobicContact CB-CB 4.41Å; L554-A559 HydrophobicContact CD1-CB 4.49Å; L554-V564 HydrophobicContact CD1-CG2 4.19Å; L554-V586 HydrophobicContact CD1-CG1 4.42Å; L554-V586 HydrophobicContact CD1-CG2 4.29Å; L554-V586 HydrophobicContact CD2-CB 4.22Å; L554-V586 HydrophobicContact CD2-CG1 4.27Å; L554-V586 HydrophobicContact CD2-CG2 3.77Å; L554-H589 HydrophobicContact CD2-CB 4.32Å
555	P	72.4	Confident	80.1	Confident	65 Å²	65	61.8 Å²	61.8	42%	0.422	34%	0.339	S	S	.	.			trans	-60.9	139	159.9	-19.8	32.6	0	0	0	110.9	E557 V558 A559	P555-E557 PolarHBondContact O-N 2.89Å; P555-V558 PolarHBondContact O-N 2.79Å; P555-A559 PolarHBondContact O-N 3.46Å
556	E	68.1	Low	80.2	Confident	185 Å²	185	62.3 Å²	62.3	86%	0.864	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-33.4	-175.8	-73.9	-173.5	127.8	0	0	113.8	V558	E556-V558 VanDerWaalsContact C-N 3.35Å; E556-V558 PolarHBondContact O-N 2.84Å
557	E	63.1	Low	80.2	Confident	174 Å²	174	64.5 Å²	64.5	81%	0.813	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-38.5	-179.9	-60.5	179.9	166.3	0	0	112.6	P555 S560	P555-E557 PolarHBondContact O-N 2.89Å; E557-S560 PolarHBondContact O-OG 3Å
558	V	67.4	Low	79.7	Confident	22 Å²	22	63.6 Å²	63.6	13%	0.133	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-33.9	-176	-174.8	0	0	0	0	111.5	L554 P555 E556 S560 A561 V586	L554-V558 HydrophobicContact CD2-CG1 4.31Å; P555-V558 PolarHBondContact O-N 2.79Å; E556-V558 VanDerWaalsContact C-N 3.35Å; E556-V558 PolarHBondContact O-N 2.84Å; V558-S560 PolarHBondContact O-N 2.9Å; V558-A561 PolarHBondContact O-N 2.04Å; V558-A561 VanDerWaalsContact O-N 3.09Å; V558-V586 HydrophobicContact CG1-CG2 3.65Å
559	A	66.4	Low	79.1	Confident	56 Å²	56	65.3 Å²	65.3	46%	0.463	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-15.7	179.9	0	0	0	0	0	114.2	L554 P555	L554-A559 HydrophobicContact CB-CB 4.41Å; L554-A559 HydrophobicContact CD1-CB 4.49Å; P555-A559 PolarHBondContact O-N 3.46Å
560	S	67.4	Low	78.8	Confident	107 Å²	107	68 Å²	68	75%	0.748	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-17.6	177.4	70.9	0	0	0	0	114.8	E557 V558	E557-S560 PolarHBondContact O-OG 3Å; V558-S560 PolarHBondContact O-N 2.9Å
561	A	75.4	Confident	78.4	Confident	55 Å²	55	69 Å²	69	46%	0.455	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-14	-170.8	0	0	0	0	0	114.5	V558 A582	V558-A561 PolarHBondContact O-N 2.04Å; V558-A561 VanDerWaalsContact O-N 3.09Å; A561-A582 HydrophobicContact CB-CB 4.25Å
562	V	84.5	Confident	78.4	Confident	10 Å²	10	68.7 Å²	68.7	6%	0.061	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	131.8	-174.5	-176.5	0	0	0	0	109	V564 V575 E576 A582 F583 V586	V562-V564 HydrophobicContact CG1-CG2 4.43Å; V562-V575 HydrophobicContact CG1-CG1 3.4Å; V562-V575 VanDerWaalsContact CG1-CG1 3.4Å; V562-E576 WeakPolarHBondContact CG1-O 3.32Å; V562-A582 HydrophobicContact CG2-CB 3.9Å; V562-F583 HydrophobicContact CG1-CD2 4.46Å; V562-V586 HydrophobicContact CB-CG2 3.87Å; V562-V586 HydrophobicContact CG1-CB 4.46Å; V562-V586 HydrophobicContact CG1-CG2 3.97Å; V562-V586 HydrophobicContact CG2-CG2 3.92Å
563	K	88.7	Confident	78.6	Confident	112 Å²	112	67.7 Å²	67.7	49%	0.487	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.2	175.4	-171.1	175.6	-168.8	-73.6	0	109.5	D565 V575 E576	K563-D565 IonicContact NZ-OD1 3.58Å; K563-D565 PolarHBondContact NZ-OD1 2.89Å; K563-D565 IonicContact NZ-OD2 3.64Å; K563-D565 PolarHBondContact NZ-OD2 3.45Å; K563-V575 WeakPolarHBondContact O-CA 3.48Å; K563-E576 PolarHBondContact N-O 2.82Å; K563-E576 PolarHBondContact O-N 3.37Å
564	V	89.2	Confident	79.1	Confident	37 Å²	37	63.9 Å²	63.9	22%	0.224	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	113.5	-178.7	-178	0	0	0	0	107.9	V552 L554 V562 F566 L573 T574 V586	V552-V564 HydrophobicContact CG1-CG1 4.47Å; L554-V564 HydrophobicContact CD1-CG2 4.19Å; V562-V564 HydrophobicContact CG1-CG2 4.43Å; V564-F566 HydrophobicContact CG1-CD2 4.41Å; V564-F566 HydrophobicContact CG1-CE2 3.9Å; V564-F566 HydrophobicContact CG1-CZ 4.44Å; V564-L573 HydrophobicContact CG1-CD1 3.32Å; V564-L573 HydrophobicContact CG1-CG 4.3Å; V564-T574 WeakPolarHBondContact CA-O 3.34Å; V564-V586 HydrophobicContact CG2-CG1 3.98Å
565	D	88.2	Confident	79.8	Confident	72 Å²	72	61.6 Å²	61.6	39%	0.385	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.9	179.2	-63.1	-44.3	0	0	0	110	K563 L573 T574	K563-D565 IonicContact NZ-OD1 3.58Å; K563-D565 PolarHBondContact NZ-OD1 2.89Å; K563-D565 IonicContact NZ-OD2 3.64Å; K563-D565 PolarHBondContact NZ-OD2 3.45Å; D565-L573 WeakPolarHBondContact O-CA 3.47Å; D565-L573 WeakPolarHBondContact O-CD1 3.49Å; D565-T574 PolarHBondContact N-O 3.21Å; D565-T574 PolarHBondContact O-N 3.3Å
566	F	83.3	Confident	80.8	Confident	84 Å²	84	60.4 Å²	60.4	37%	0.368	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	144.4	173.8	-71.5	-92.8	0	0	0	111.4	L550 V552 V564 L573	L550-F566 WeakPolarHBondContact O-CE1 3.25Å; V552-F566 HydrophobicContact CB-CE2 4.47Å; V552-F566 HydrophobicContact CB-CZ 3.77Å; V552-F566 HydrophobicContact CG2-CE1 4.17Å; V552-F566 HydrophobicContact CG2-CZ 3.62Å; V564-F566 HydrophobicContact CG1-CD2 4.41Å; V564-F566 HydrophobicContact CG1-CE2 3.9Å; V564-F566 HydrophobicContact CG1-CZ 4.44Å; F566-L573 HydrophobicContact CD1-CD1 3.68Å; F566-L573 HydrophobicContact CD2-CD1 3.91Å; F566-L573 HydrophobicContact CE1-CD1 3.62Å; F566-L573 HydrophobicContact CE2-CD1 3.86Å; F566-L573 HydrophobicContact CG-CD1 3.84Å; F566-L573 HydrophobicContact CZ-CD1 3.74Å
567	N	80.6	Confident	81.8	Confident	56 Å²	56	51.8 Å²	51.8	30%	0.299	30%	0.296	S	S	.	.			trans	-65.2	139.5	158	-175.7	-21.8	0	0	0	109	N569 Q570 S572	N567-N569 WeakPolarHBondContact CB-OD1 3.47Å; N567-N569 PolarHBondContact ND2-OD1 3.42Å; N567-N569 PolarHBondContact O-N 3.27Å; N567-N569 PolarHBondContact OD1-N 3.26Å; N567-N569 PolarHBondContact OD1-OD1 3.09Å; N567-N569 VanDerWaalsContact OD1-OD1 3.11Å; N567-Q570 WeakPolarHBondContact O-CA 3.47Å; N567-Q570 PolarHBondContact O-N 2.63Å; N567-S572 WeakPolarHBondContact CB-O 3.36Å; N567-S572 VanDerWaalsContact CB-OG 3.31Å; N567-S572 WeakPolarHBondContact CB-OG 3.26Å; N567-S572 PolarHBondContact N-O 3Å; N567-S572 PolarHBondContact ND2-OG 3.37Å
568	P	72.1	Confident	83	Confident	79 Å²	79	49.4 Å²	49.4	51%	0.513	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-22	177.5	19.1	-34.2	0	0	0	115.5	Y544	Y544-P568 HydrophobicContact CE1-CB 3.84Å; Y544-P568 WeakPolarHBondContact CE1-O 3.42Å; Y544-P568 VanDerWaalsContact OH-C 3.31Å; Y544-P568 WeakPolarHBondContact OH-CB 3.26Å
569	N	73.4	Confident	84	Confident	37 Å²	37	52.9 Å²	52.9	20%	0.198	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	3.1	172.7	75.7	-7	0	0	0	114.5	Y544 C546 N567 S571	Y544-N569 PolarHBondContact OH-N 3.19Å; C546-N569 PolarHBondContact SG-O 2.98Å; N567-N569 WeakPolarHBondContact CB-OD1 3.47Å; N567-N569 PolarHBondContact ND2-OD1 3.42Å; N567-N569 PolarHBondContact O-N 3.27Å; N567-N569 PolarHBondContact OD1-N 3.26Å; N567-N569 PolarHBondContact OD1-OD1 3.09Å; N567-N569 VanDerWaalsContact OD1-OD1 3.11Å; N569-S571 PolarHBondContact ND2-OG 3.05Å; N569-S571 PolarHBondContact O-N 2.59Å; N569-S571 WeakPolarHBondContact OD1-CB 3.11Å; N569-S571 PolarHBondContact OD1-N 3.01Å; N569-S571 PolarHBondContact OD1-OG 2.77Å; N569-S571 VanDerWaalsContact OD1-OG 3.12Å
570	Q	83.1	Confident	84.9	Confident	58 Å²	58	52.6 Å²	52.6	27%	0.271	30%	0.296	S	S	.	.	S	Bend	trans	53.4	12	-174.4	-56.8	-174.1	-64.4	0	0	116.2	L550 N567	L550-Q570 PolarHBondContact N-O 3.39Å; N567-Q570 WeakPolarHBondContact O-CA 3.47Å; N567-Q570 PolarHBondContact O-N 2.63Å
571	S	84.9	Confident	85.9	Confident	20 Å²	20	49.4 Å²	49.4	14%	0.14	28%	0.28	C	S	.	.	S	Bend	trans	-83.6	-14.6	178.8	88.4	0	0	0	0	112.8	L292 N569	L292-S571 WeakPolarHBondContact CB-O 3.25Å; L292-S571 PolarHBondContact N-O 3.05Å; N569-S571 PolarHBondContact ND2-OG 3.05Å; N569-S571 PolarHBondContact O-N 2.59Å; N569-S571 WeakPolarHBondContact OD1-CB 3.11Å; N569-S571 PolarHBondContact OD1-N 3.01Å; N569-S571 PolarHBondContact OD1-OG 2.77Å; N569-S571 VanDerWaalsContact OD1-OG 3.12Å
572	S	89.9	Confident	86.4	Confident	27 Å²	27	47.4 Å²	47.4	19%	0.189	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147.9	172.9	63.5	0	0	0	0	113.3	I290 N567	I290-S572 CarbonylContact O-C 3.59Å; I290-S572 WeakPolarHBondContact O-CA 3.19Å; I290-S572 WeakPolarHBondContact O-CB 3.47Å; N567-S572 WeakPolarHBondContact CB-O 3.36Å; N567-S572 VanDerWaalsContact CB-OG 3.31Å; N567-S572 WeakPolarHBondContact CB-OG 3.26Å; N567-S572 PolarHBondContact N-O 3Å; N567-S572 PolarHBondContact ND2-OG 3.37Å
573	L	92.3	Very high	86.7	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	130.9	-174.8	177.3	68.2	0	0	0	109.6	S289 I290 L550 V552 V564 D565 F566 V575 I590	S289-L573 CarbonylContact C-O 3.52Å; S289-L573 WeakPolarHBondContact CA-O 3.42Å; I290-L573 HydrophobicContact CB-CB 4.49Å; I290-L573 HydrophobicContact CD1-CD2 4.31Å; I290-L573 HydrophobicContact CD1-CG 4.5Å; I290-L573 PolarHBondContact N-O 2.85Å; I290-L573 PolarHBondContact O-N 3.47Å; L550-L573 HydrophobicContact CD1-CB 4.03Å; V552-L573 HydrophobicContact CG2-CD1 4.36Å; V552-L573 HydrophobicContact CG2-CD2 3.42Å; V552-L573 VanDerWaalsContact CG2-CD2 3.42Å; V564-L573 HydrophobicContact CG1-CD1 3.32Å; V564-L573 HydrophobicContact CG1-CG 4.3Å; D565-L573 WeakPolarHBondContact O-CA 3.47Å; D565-L573 WeakPolarHBondContact O-CD1 3.49Å; F566-L573 HydrophobicContact CD1-CD1 3.68Å; F566-L573 HydrophobicContact CD2-CD1 3.91Å; F566-L573 HydrophobicContact CE1-CD1 3.62Å; F566-L573 HydrophobicContact CE2-CD1 3.86Å; F566-L573 HydrophobicContact CG-CD1 3.84Å; F566-L573 HydrophobicContact CZ-CD1 3.74Å; L573-V575 HydrophobicContact CD2-CG2 3.94Å; L573-V575 HydrophobicContact CG-CG2 4.05Å; L573-I590 HydrophobicContact CD2-CD1 3.83Å; L573-I590 HydrophobicContact CD2-CG1 3.94Å; L573-I590 HydrophobicContact CD2-CG2 4.33Å
574	T	93.8	Very high	86.8	Confident	37 Å²	37	42.8 Å²	42.8	23%	0.227	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.3	169.3	-60.1	0	0	0	0	110.3	R287 A288 V564 D565	R287-T574 HydrophobicContact CG-CG2 4.03Å; A288-T574 WeakPolarHBondContact O-CA 3.47Å; V564-T574 WeakPolarHBondContact CA-O 3.34Å; D565-T574 PolarHBondContact N-O 3.21Å; D565-T574 PolarHBondContact O-N 3.3Å
575	V	92.8	Very high	86.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.5	176.7	-173.7	0	0	0	0	108.4	R287 A288 I290 V562 K563 L573 F583 V586 M587 I590	R287-V575 CarbonylContact C-O 3.59Å; R287-V575 VanDerWaalsContact CA-O 3.29Å; R287-V575 WeakPolarHBondContact CA-O 3.3Å; A288-V575 PolarHBondContact N-O 2.81Å; A288-V575 PolarHBondContact O-N 2.87Å; I290-V575 HydrophobicContact CD1-CG2 4.06Å; V562-V575 HydrophobicContact CG1-CG1 3.4Å; V562-V575 VanDerWaalsContact CG1-CG1 3.4Å; K563-V575 WeakPolarHBondContact O-CA 3.48Å; L573-V575 HydrophobicContact CD2-CG2 3.94Å; L573-V575 HydrophobicContact CG-CG2 4.05Å; V575-F583 HydrophobicContact CB-CE2 4.06Å; V575-F583 HydrophobicContact CG1-CD2 3.84Å; V575-F583 HydrophobicContact CG1-CE2 3.64Å; V575-V586 HydrophobicContact CG1-CB 4.33Å; V575-V586 HydrophobicContact CG1-CG1 3.76Å; V575-V586 HydrophobicContact CG2-CG1 4.25Å; V575-M587 HydrophobicContact CB-SD 4.3Å; V575-M587 HydrophobicContact CG2-SD 4.17Å; V575-I590 HydrophobicContact CG2-CD1 4.42Å
576	E	92.4	Very high	87	Confident	41 Å²	41	43.1 Å²	43.1	19%	0.192	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127	177.5	-178.9	165.1	-124.6	0	0	110.9	V286 R287 V562 K563	V286-E576 WeakPolarHBondContact O-CA 3.3Å; R287-E576 HydrophobicContact CB-CB 4.39Å; R287-E576 HydrophobicContact CB-CG 4.34Å; R287-E576 HydrophobicContact CG-CB 4.37Å; R287-E576 IonicContact CZ-OE1 3.56Å; R287-E576 VanDerWaalsContact CZ-OE1 3.26Å; R287-E576 IonicContact CZ-OE2 2.89Å; R287-E576 IonicContact NE-OE1 3.55Å; R287-E576 PolarHBondContact NE-OE1 2.86Å; R287-E576 IonicContact NE-OE2 2.66Å; R287-E576 IonicContact NH2-OE1 3.74Å; R287-E576 PolarHBondContact NH2-OE1 3.21Å; R287-E576 IonicContact NH2-OE2 3.53Å; R287-E576 PolarHBondContact NH2-OE2 2.91Å; V562-E576 WeakPolarHBondContact CG1-O 3.32Å; K563-E576 PolarHBondContact N-O 2.82Å; K563-E576 PolarHBondContact O-N 3.37Å
577	G	89.6	Confident	87.4	Confident	4 Å²	4	39.1 Å²	39.1	4%	0.041	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	154.5	-178.6	0	0	0	0	0	113.7	V286	V286-G577 PolarHBondContact N-O 3.14Å; V286-G577 PolarHBondContact O-N 3.3Å
578	D	88.3	Confident	87.9	Confident	124 Å²	124	39.1 Å²	39.1	66%	0.663	22%	0.22	S	C	*	.	S	Bend	trans	-97.8	-25	-177.6	-59.7	-16.7	0	0	0	112.2	S285	S285-D578 WeakPolarHBondContact CB-OD1 3.32Å
579	D	87.1	Confident	88.9	Confident	94 Å²	94	39.1 Å²	39.1	50%	0.503	21%	0.213	S	C	.	.			trans	-97.2	116.2	174.4	-176.6	76.9	0	0	0	111.1	G581 A582 F583	D579-G581 VanDerWaalsContact C-N 3.3Å; D579-G581 PolarHBondContact O-N 3.46Å; D579-G581 WeakPolarHBondContact OD2-CA 3.47Å; D579-G581 PolarHBondContact OD2-N 2.93Å; D579-A582 HydrophobicContact CB-CB 4.16Å; D579-A582 PolarHBondContact O-N 3.39Å; D579-A582 WeakPolarHBondContact OD2-CB 3.39Å; D579-A582 PolarHBondContact OD2-N 3.43Å; D579-F583 VanDerWaalsContact O-CB 3.31Å; D579-F583 WeakPolarHBondContact O-CB 3.48Å; D579-F583 PolarHBondContact O-N 2.94Å
580	I	86.6	Confident	89.8	Confident	51 Å²	51	37.4 Å²	37.4	26%	0.262	20%	0.203	S	C	.	.	H	α-helix	trans	-64.1	-35.5	-176.8	-61.3	160.4	0	0	0	111.3	T278 I283 V286 F583 D584	T278-I580 HydrophobicContact CG2-CD1 4.24Å; I283-I580 HydrophobicContact CB-CD1 4.33Å; I283-I580 HydrophobicContact CD1-CD1 4.32Å; V286-I580 HydrophobicContact CG2-CG1 4.49Å; I580-F583 PolarHBondContact O-N 3.34Å; I580-D584 WeakPolarHBondContact O-CB 3.32Å; I580-D584 PolarHBondContact O-N 2.87Å
581	G	87.3	Confident	90.3	Very high	40 Å²	40	35 Å²	35	41%	0.412	19%	0.193	S	C	.	.	H	α-helix	trans	-69.8	-35.9	-179.3	0	0	0	0	0	113.4	D579 K585	D579-G581 VanDerWaalsContact C-N 3.3Å; D579-G581 PolarHBondContact O-N 3.46Å; D579-G581 WeakPolarHBondContact OD2-CA 3.47Å; D579-G581 PolarHBondContact OD2-N 2.93Å; G581-K585 VanDerWaalsContact O-CG 3.31Å; G581-K585 WeakPolarHBondContact O-CG 3.36Å; G581-K585 PolarHBondContact O-N 3.36Å
582	A	87.5	Confident	90.7	Very high	13 Å²	13	34 Å²	34	11%	0.107	19%	0.186	C	C	.	.	H	α-helix	trans	-72	-40.3	170.1	0	0	0	0	0	111.3	A561 V562 D579 K585 V586	A561-A582 HydrophobicContact CB-CB 4.25Å; V562-A582 HydrophobicContact CG2-CB 3.9Å; D579-A582 HydrophobicContact CB-CB 4.16Å; D579-A582 PolarHBondContact O-N 3.39Å; D579-A582 WeakPolarHBondContact OD2-CB 3.39Å; D579-A582 PolarHBondContact OD2-N 3.43Å; A582-K585 WeakPolarHBondContact O-CB 3.36Å; A582-K585 PolarHBondContact O-N 3.18Å; A582-V586 WeakPolarHBondContact O-CG2 3.44Å; A582-V586 PolarHBondContact O-N 2.91Å
583	F	90.3	Very high	90.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60	-51.1	177.3	-174.8	-101.7	0	0	0	112.2	W252 V286 A288 V562 V575 D579 I580 K585 V586 M587	W252-F583 HydrophobicContact CH2-CD1 4.24Å; W252-F583 AromaticContact CH2-CE1 3.59Å; W252-F583 HydrophobicContact CH2-CE1 3.59Å; W252-F583 HydrophobicContact CH2-CZ 4.48Å; W252-F583 AromaticContact CZ2-CE1 3.98Å; W252-F583 HydrophobicContact CZ2-CE1 3.98Å; V286-F583 HydrophobicContact CB-CD1 4.24Å; V286-F583 HydrophobicContact CB-CD2 4.44Å; V286-F583 HydrophobicContact CB-CE1 3.96Å; V286-F583 HydrophobicContact CB-CE2 4.2Å; V286-F583 HydrophobicContact CB-CG 4.47Å; V286-F583 HydrophobicContact CB-CZ 3.96Å; V286-F583 HydrophobicContact CG1-CD1 4.12Å; V286-F583 HydrophobicContact CG1-CE1 3.39Å; V286-F583 HydrophobicContact CG1-CE2 4.14Å; V286-F583 HydrophobicContact CG1-CZ 3.42Å; V286-F583 VanDerWaalsContact CG1-CZ 3.42Å; A288-F583 HydrophobicContact CB-CZ 3.76Å; V562-F583 HydrophobicContact CG1-CD2 4.46Å; V575-F583 HydrophobicContact CB-CE2 4.06Å; V575-F583 HydrophobicContact CG1-CD2 3.84Å; V575-F583 HydrophobicContact CG1-CE2 3.64Å; D579-F583 VanDerWaalsContact O-CB 3.31Å; D579-F583 WeakPolarHBondContact O-CB 3.48Å; D579-F583 PolarHBondContact O-N 2.94Å; I580-F583 PolarHBondContact O-N 3.34Å; F583-K585 VanDerWaalsContact C-N 3.28Å; F583-K585 PolarHBondContact O-N 3.49Å; F583-V586 PolarHBondContact O-N 3.4Å; F583-V586 VanDerWaalsContact O-N 3.09Å; F583-M587 HydrophobicContact CD1-CG 4.34Å; F583-M587 HydrophobicContact CE1-CG 4.18Å; F583-M587 HydrophobicContact CZ-CG 4.46Å; F583-M587 HydrophobicContact CZ-SD 4.33Å; F583-M587 WeakPolarHBondContact O-CG 3.28Å; F583-M587 PolarHBondContact O-N 2.97Å
584	D	90.8	Very high	90.6	Very high	25 Å²	25	34.9 Å²	34.9	13%	0.134	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-40.3	176	-76	-22.5	0	0	0	111.5	H275 L276 I580 V586 M587 Q588	H275-D584 WeakPolarHBondContact CA-OD1 3.49Å; L276-D584 PolarHBondContact N-OD1 3.34Å; I580-D584 WeakPolarHBondContact O-CB 3.32Å; I580-D584 PolarHBondContact O-N 2.87Å; D584-V586 PolarHBondContact O-N 2.94Å; D584-M587 PolarHBondContact O-N 3.18Å; D584-Q588 VanDerWaalsContact O-CG 3.25Å; D584-Q588 WeakPolarHBondContact O-CG 3.48Å; D584-Q588 PolarHBondContact O-N 2.91Å
585	K	89.8	Confident	90.1	Very high	115 Å²	115	36.6 Å²	36.6	50%	0.5	20%	0.202	S	C	.	.	H	α-helix	trans	-61.8	-42.3	174.3	-76.8	174.8	-179	-178.9	0	112.8	G581 A582 F583 M587 Q588 H589	G581-K585 VanDerWaalsContact O-CG 3.31Å; G581-K585 WeakPolarHBondContact O-CG 3.36Å; G581-K585 PolarHBondContact O-N 3.36Å; A582-K585 WeakPolarHBondContact O-CB 3.36Å; A582-K585 PolarHBondContact O-N 3.18Å; F583-K585 VanDerWaalsContact C-N 3.28Å; F583-K585 PolarHBondContact O-N 3.49Å; K585-M587 VanDerWaalsContact C-N 3.35Å; K585-Q588 PolarHBondContact O-N 3.03Å; K585-H589 PolarHBondContact O-N 3.16Å; K585-H589 PolarHBondContact O-ND1 3Å
586	V	91.3	Very high	89.4	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-47	175.9	173.9	0	0	0	0	109.9	V552 L554 V558 V562 V564 V575 A582 F583 D584 Q588 H589 I590	V552-V586 HydrophobicContact CG1-CG1 4.47Å; L554-V586 HydrophobicContact CD1-CG1 4.42Å; L554-V586 HydrophobicContact CD1-CG2 4.29Å; L554-V586 HydrophobicContact CD2-CB 4.22Å; L554-V586 HydrophobicContact CD2-CG1 4.27Å; L554-V586 HydrophobicContact CD2-CG2 3.77Å; V558-V586 HydrophobicContact CG1-CG2 3.65Å; V562-V586 HydrophobicContact CB-CG2 3.87Å; V562-V586 HydrophobicContact CG1-CB 4.46Å; V562-V586 HydrophobicContact CG1-CG2 3.97Å; V562-V586 HydrophobicContact CG2-CG2 3.92Å; V564-V586 HydrophobicContact CG2-CG1 3.98Å; V575-V586 HydrophobicContact CG1-CB 4.33Å; V575-V586 HydrophobicContact CG1-CG1 3.76Å; V575-V586 HydrophobicContact CG2-CG1 4.25Å; A582-V586 WeakPolarHBondContact O-CG2 3.44Å; A582-V586 PolarHBondContact O-N 2.91Å; F583-V586 PolarHBondContact O-N 3.4Å; F583-V586 VanDerWaalsContact O-N 3.09Å; D584-V586 PolarHBondContact O-N 2.94Å; V586-Q588 VanDerWaalsContact C-N 3.28Å; V586-Q588 PolarHBondContact O-N 3.13Å; V586-H589 PolarHBondContact O-N 3.46Å; V586-I590 PolarHBondContact O-N 2.81Å
587	M	91.9	Very high	88.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.8	-39	178.7	-63.1	-64.1	-63.5	0	0	112	W252 M274 A288 I290 V575 F583 D584 K585 H589 I590 I608	W252-M587 HydrophobicContact CH2-CE 4.04Å; W252-M587 HydrophobicContact CH2-CG 3.85Å; W252-M587 HydrophobicContact CH2-SD 4.48Å; W252-M587 HydrophobicContact CZ2-CE 4.02Å; W252-M587 HydrophobicContact CZ3-CG 4.45Å; M274-M587 HydrophobicContact CE-CB 3.9Å; M274-M587 HydrophobicContact CE-CE 3.36Å; M274-M587 HydrophobicContact CE-CG 4.46Å; A288-M587 HydrophobicContact CB-CE 4.28Å; A288-M587 HydrophobicContact CB-SD 4.31Å; I290-M587 HydrophobicContact CD1-CE 3.91Å; I290-M587 HydrophobicContact CD1-SD 4.1Å; I290-M587 HydrophobicContact CG1-CE 4.05Å; V575-M587 HydrophobicContact CB-SD 4.3Å; V575-M587 HydrophobicContact CG2-SD 4.17Å; F583-M587 HydrophobicContact CD1-CG 4.34Å; F583-M587 HydrophobicContact CE1-CG 4.18Å; F583-M587 HydrophobicContact CZ-CG 4.46Å; F583-M587 HydrophobicContact CZ-SD 4.33Å; F583-M587 WeakPolarHBondContact O-CG 3.28Å; F583-M587 PolarHBondContact O-N 2.97Å; D584-M587 PolarHBondContact O-N 3.18Å; K585-M587 VanDerWaalsContact C-N 3.35Å; M587-H589 VanDerWaalsContact C-N 3.26Å; M587-H589 PolarHBondContact O-N 3.45Å; M587-I590 HydrophobicContact CE-CD1 3.88Å; M587-I590 PolarHBondContact O-N 2.94Å; M587-I590 HydrophobicContact SD-CD1 3.64Å; M587-I608 HydrophobicContact CE-CG2 4.33Å
588	Q	91.7	Very high	87.9	Confident	57 Å²	57	40.9 Å²	40.9	27%	0.266	22%	0.22	S	C	.	.	H	α-helix	trans	-66	-22.1	176.3	-71.6	162.9	10.3	0	0	114.4	F271 M274 D584 K585 V586	F271-Q588 WeakPolarHBondContact O-CA 3.41Å; F271-Q588 WeakPolarHBondContact O-CG 3.42Å; M274-Q588 WeakPolarHBondContact O-CG 3.42Å; M274-Q588 PolarHBondContact O-NE2 2.79Å; D584-Q588 VanDerWaalsContact O-CG 3.25Å; D584-Q588 WeakPolarHBondContact O-CG 3.48Å; D584-Q588 PolarHBondContact O-N 2.91Å; K585-Q588 PolarHBondContact O-N 3.03Å; V586-Q588 VanDerWaalsContact C-N 3.28Å; V586-Q588 PolarHBondContact O-N 3.13Å
589	H	91.4	Very high	87.5	Confident	79 Å²	79	35 Å²	35	37%	0.366	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	4.4	177.5	-67.7	70.6	0	0	0	113.2	Q553 L554 K585 V586 M587 S591	Q553-H589 PolarHBondContact O-CD2 3.5Å; L554-H589 HydrophobicContact CD2-CB 4.32Å; K585-H589 PolarHBondContact O-N 3.16Å; K585-H589 PolarHBondContact O-ND1 3Å; V586-H589 PolarHBondContact O-N 3.46Å; M587-H589 VanDerWaalsContact C-N 3.26Å; M587-H589 PolarHBondContact O-N 3.45Å; H589-S591 PolarHBondContact O-N 2.97Å
590	I	92.9	Very high	87.1	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	126.3	168.7	-57.9	173.4	0	0	0	108.2	L270 F271 I290 L550 V552 L573 V575 V586 M587	L270-I590 HydrophobicContact CD1-CG2 4.36Å; L270-I590 PolarHBondContact N-O 2.8Å; F271-I590 HydrophobicContact CD2-CB 3.95Å; F271-I590 HydrophobicContact CD2-CD1 4.24Å; F271-I590 HydrophobicContact CD2-CG2 4.32Å; F271-I590 HydrophobicContact CE2-CB 4.09Å; F271-I590 HydrophobicContact CE2-CD1 4.23Å; F271-I590 HydrophobicContact CE2-CG2 3.96Å; I290-I590 HydrophobicContact CD1-CD1 3.72Å; I290-I590 HydrophobicContact CG1-CD1 3.96Å; L550-I590 HydrophobicContact CD2-CG2 4.37Å; V552-I590 HydrophobicContact CG2-CG1 4.11Å; L573-I590 HydrophobicContact CD2-CD1 3.83Å; L573-I590 HydrophobicContact CD2-CG1 3.94Å; L573-I590 HydrophobicContact CD2-CG2 4.33Å; V575-I590 HydrophobicContact CG2-CD1 4.42Å; V586-I590 PolarHBondContact O-N 2.81Å; M587-I590 HydrophobicContact CE-CD1 3.88Å; M587-I590 PolarHBondContact O-N 2.94Å; M587-I590 HydrophobicContact SD-CD1 3.64Å
591	S	93.6	Very high	86.9	Confident	7 Å²	7	32 Å²	32	5%	0.049	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.8	-179.2	61.3	0	0	0	0	111.1	L268 L550 D551 H589	L268-S591 CarbonylContact O-C 3.58Å; L268-S591 WeakPolarHBondContact O-CA 3.41Å; L268-S591 VanDerWaalsContact O-CB 3.26Å; L268-S591 WeakPolarHBondContact O-CB 3.32Å; L550-S591 WeakPolarHBondContact CA-O 3.39Å; D551-S591 PolarHBondContact N-O 3.17Å; D551-S591 PolarHBondContact O-N 2.77Å; D551-S591 PolarHBondContact O-OG 2.8Å; H589-S591 PolarHBondContact O-N 2.97Å
592	Y	93.7	Very high	86.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.9	164	166.6	-90.3	0	0	0	107.4	Y261 L268 L292 E548 N594 R604 V630 V632	Y261-Y592 AromaticContact CD1-CE1 3.8Å; Y261-Y592 HydrophobicContact CD1-CE1 3.8Å; Y261-Y592 AromaticContact CD2-CD1 3.47Å; Y261-Y592 HydrophobicContact CD2-CD1 3.47Å; Y261-Y592 VanDerWaalsContact CD2-CD1 3.47Å; Y261-Y592 AromaticContact CD2-CE1 3.51Å; Y261-Y592 HydrophobicContact CD2-CE1 3.51Å; Y261-Y592 HydrophobicContact CE1-CE1 4.14Å; Y261-Y592 AromaticContact CE2-CD1 3.89Å; Y261-Y592 HydrophobicContact CE2-CD1 3.89Å; Y261-Y592 AromaticContact CE2-CE1 3.89Å; Y261-Y592 HydrophobicContact CE2-CE1 3.89Å; Y261-Y592 AromaticContact CG-CD1 3.86Å; Y261-Y592 HydrophobicContact CG-CD1 3.86Å; Y261-Y592 AromaticContact CG-CE1 3.47Å; Y261-Y592 HydrophobicContact CG-CE1 3.47Å; Y261-Y592 VanDerWaalsContact CG-CE1 3.47Å; L268-Y592 PolarHBondContact N-O 2.91Å; L268-Y592 PolarHBondContact O-N 3.06Å; L292-Y592 HydrophobicContact CD1-CD2 4.15Å; L292-Y592 HydrophobicContact CD1-CE2 4.48Å; L292-Y592 HydrophobicContact CD2-CD2 3.8Å; L292-Y592 HydrophobicContact CD2-CE2 4.07Å; E548-Y592 HydrophobicContact CG-CE2 3.69Å; E548-Y592 WeakPolarHBondContact CG-OH 3.12Å; E548-Y592 PolarHBondContact OE1-OH 3.18Å; Y592-N594 HydrophobicContact CE1-CB 3.83Å; Y592-N594 PolarHBondContact OH-ND2 2.04Å; Y592-N594 VanDerWaalsContact OH-ND2 3.09Å; Y592-R604 HydrophobicContact CE2-CG 4.26Å; Y592-V630 HydrophobicContact CD1-CG1 4.11Å; Y592-V630 HydrophobicContact CD2-CG2 4.15Å; Y592-V630 HydrophobicContact CE1-CG1 4.21Å; Y592-V630 HydrophobicContact CG-CG1 4.26Å; Y592-V630 HydrophobicContact CG-CG2 4.2Å; Y592-V632 HydrophobicContact CE1-CG2 4.45Å; Y592-V632 VanDerWaalsContact OH-CG2 3.23Å; Y592-V632 WeakPolarHBondContact OH-CG2 3.37Å
593	L	90.9	Very high	86.9	Confident	43 Å²	43	34.8 Å²	34.8	23%	0.225	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.2	179	170	59.7	0	0	0	108.6	E548 G549 D551	E548-L593 WeakPolarHBondContact CA-O 3.34Å; G549-L593 PolarHBondContact N-O 3.13Å; G549-L593 PolarHBondContact O-N 2.85Å; D551-L593 HydrophobicContact CB-CB 3.9Å; D551-L593 HydrophobicContact CB-CD2 4.09Å
594	N	88.7	Confident	86.9	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.011	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	108.6	165	-161.5	-42.5	0	0	0	109.8	Y261 G266 E548 Y592 R596	Y261-N594 HydrophobicContact CE1-CB 3.77Å; Y261-N594 PolarHBondContact OH-O 3.31Å; G266-N594 PolarHBondContact O-N 3.03Å; E548-N594 VanDerWaalsContact CD-ND2 3.34Å; E548-N594 HydrophobicContact CG-CB 4.35Å; E548-N594 VanDerWaalsContact CG-ND2 3.34Å; E548-N594 WeakPolarHBondContact CG-ND2 3.5Å; E548-N594 PolarHBondContact OE2-ND2 2.81Å; Y592-N594 HydrophobicContact CE1-CB 3.83Å; Y592-N594 PolarHBondContact OH-ND2 2.04Å; Y592-N594 VanDerWaalsContact OH-ND2 3.09Å; N594-R596 VanDerWaalsContact C-N 3.31Å; N594-R596 PolarHBondContact O-N 2.9Å; N594-R596 VanDerWaalsContact OD1-CB 3.32Å; N594-R596 WeakPolarHBondContact OD1-CB 3.34Å; N594-R596 VanDerWaalsContact OD1-CG 3.25Å; N594-R596 WeakPolarHBondContact OD1-CG 3.32Å; N594-R596 PolarHBondContact OD1-N 2.91Å
595	S	83.6	Confident	86.9	Confident	74 Å²	74	38.5 Å²	38.5	52%	0.517	20%	0.203	S	C	.	.			trans	-87.9	7	-176.1	61.9	0	0	0	0	114	K547	K547-S595 WeakPolarHBondContact CA-OG 3.33Å; K547-S595 WeakPolarHBondContact CB-OG 3.44Å; K547-S595 PolarHBondContact O-N 3.35Å; K547-S595 PolarHBondContact O-OG 2.94Å
596	R	78.6	Confident	87.1	Confident	17 Å²	17	33.3 Å²	33.3	6%	0.064	18%	0.181	C	C	.	.			trans	-79.5	151.6	173.3	-57.2	174	89.6	-167.6	-8.8	111.4	D302 T305 K547 N594 F598 T600	D302-R596 WeakPolarHBondContact OD1-CD 3.35Å; D302-R596 IonicContact OD1-CZ 3.7Å; D302-R596 IonicContact OD1-NE 3.63Å; D302-R596 PolarHBondContact OD1-NE 2.87Å; D302-R596 IonicContact OD1-NH1 3.18Å; D302-R596 PolarHBondContact OD1-NH1 3.03Å; D302-R596 IonicContact OD1-NH2 3.46Å; D302-R596 WeakPolarHBondContact OD2-CD 3.12Å; D302-R596 VanDerWaalsContact OD2-CG 3.3Å; D302-R596 WeakPolarHBondContact OD2-CG 3.2Å; D302-R596 IonicContact OD2-CZ 2.75Å; D302-R596 IonicContact OD2-NE 3.79Å; D302-R596 PolarHBondContact OD2-NE 3.18Å; T305-R596 PolarHBondContact OG1-NE 2.82Å; T305-R596 PolarHBondContact OG1-NH2 3.01Å; K547-R596 HydrophobicContact CB-CG 4.09Å; K547-R596 HydrophobicContact CD-CG 4.39Å; N594-R596 VanDerWaalsContact C-N 3.31Å; N594-R596 PolarHBondContact O-N 2.9Å; N594-R596 VanDerWaalsContact OD1-CB 3.32Å; N594-R596 WeakPolarHBondContact OD1-CB 3.34Å; N594-R596 VanDerWaalsContact OD1-CG 3.25Å; N594-R596 WeakPolarHBondContact OD1-CG 3.32Å; N594-R596 PolarHBondContact OD1-N 2.91Å; R596-F598 PolarHBondContact NH1-O 3.48Å; R596-F598 PolarHBondContact NH2-O 3.14Å; R596-T600 PolarHBondContact NH1-OG1 2.9Å
597	Q	72.8	Confident	87.2	Confident	107 Å²	107	38.4 Å²	38.4	50%	0.5	20%	0.2	S	C	.	.	S	Bend	trans	-76	-37.5	168.2	-164.5	177.6	-8.3	0	0	112.3	P599 H706	Q597-P599 WeakPolarHBondContact O-CD 3.3Å; Q597-H706 PolarHBondContact NE2-NE2 3.26Å
598	F	76.3	Confident	87.4	Confident	10 Å²	10	38.4 Å²	38.4	4%	0.044	20%	0.2	C	C	.	.	S	Bend	trans	-122	76	179	-55.9	-72.5	0	0	0	110.9	R596 P635 E636 P638 I673 H706 L788 Y792	R596-F598 PolarHBondContact NH1-O 3.48Å; R596-F598 PolarHBondContact NH2-O 3.14Å; F598-P635 HydrophobicContact CB-CG 4.3Å; F598-P635 HydrophobicContact CD1-CB 4.13Å; F598-P635 HydrophobicContact CD1-CG 4.41Å; F598-E636 WeakPolarHBondContact CE1-O 3.4Å; F598-P638 HydrophobicContact CD1-CG 4.47Å; F598-P638 HydrophobicContact CE1-CB 4.27Å; F598-P638 HydrophobicContact CE1-CG 3.97Å; F598-P638 HydrophobicContact CE2-CG 4.21Å; F598-P638 HydrophobicContact CZ-CB 3.98Å; F598-P638 HydrophobicContact CZ-CG 3.85Å; F598-I673 HydrophobicContact CE1-CD1 3.74Å; F598-I673 HydrophobicContact CE1-CG1 4.43Å; F598-I673 HydrophobicContact CZ-CD1 3.88Å; F598-H706 AromaticContact CE2-CE1 3.36Å; F598-H706 WeakPolarHBondContact CE2-CE1 3.4Å; F598-H706 AromaticContact CE2-NE2 3.67Å; F598-H706 AromaticContact CZ-CE1 3.35Å; F598-H706 WeakPolarHBondContact CZ-CE1 3.45Å; F598-H706 AromaticContact CZ-NE2 3.67Å; F598-L788 HydrophobicContact CB-CD1 4.44Å; F598-L788 HydrophobicContact CD2-CD1 4.41Å; F598-Y792 HydrophobicContact CG-CE2 4.47Å
599	P	80.8	Confident	87.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.			trans	-63.6	145	178	31	-38.2	0	0	0	112.6	P263 Q597 P601 V632 P635	P263-P599 HydrophobicContact CB-CG 3.72Å; P263-P599 HydrophobicContact CG-CG 3.71Å; Q597-P599 WeakPolarHBondContact O-CD 3.3Å; P599-P601 VanDerWaalsContact O-CD 3.32Å; P599-P601 WeakPolarHBondContact O-CD 3.01Å; P599-V632 HydrophobicContact CB-CG1 3.84Å; P599-V632 HydrophobicContact CG-CG1 4.05Å; P599-P635 WeakPolarHBondContact O-CD 3.49Å; P599-P635 WeakPolarHBondContact O-CG 3.43Å
600	T	78.4	Confident	87.6	Confident	30 Å²	30	33.9 Å²	33.9	18%	0.184	18%	0.183	C	C	.	.			trans	-71	115.4	179.1	-63.8	0	0	0	0	108	R596 R604	R596-T600 PolarHBondContact NH1-OG1 2.9Å; T600-R604 PolarHBondContact O-NH1 3.46Å; T600-R604 PolarHBondContact O-NH2 3.06Å
601	P	83.1	Confident	87.4	Confident	52 Å²	52	37.7 Å²	37.7	34%	0.338	21%	0.207	S	C	.	.			trans	-62.9	158.2	-177.1	24.1	-32.6	0	0	0	112	P599 V632 Q634	P599-P601 VanDerWaalsContact O-CD 3.32Å; P599-P601 WeakPolarHBondContact O-CD 3.01Å; P601-V632 WeakPolarHBondContact CA-O 3.33Å; P601-Q634 HydrophobicContact CB-CB 4.34Å
602	G	85.7	Confident	87.2	Confident	29 Å²	29	37.5 Å²	37.5	30%	0.299	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	126.8	-166.9	174.2	0	0	0	0	0	114.1	V632	G602-V632 PolarHBondContact N-O 2.98Å; G602-V632 PolarHBondContact O-N 3.07Å
603	I	89	Confident	86.9	Confident	83 Å²	83	41.7 Å²	41.7	43%	0.426	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135.7	-170	-59.1	178.4	0	0	0	109.6	Y629 V630 M631	I603-Y629 HydrophobicContact CG2-CD2 3.96Å; I603-Y629 HydrophobicContact CG2-CG 3.85Å; I603-V630 CarbonylContact C-O 3.59Å; I603-V630 WeakPolarHBondContact CA-O 3.36Å; I603-M631 HydrophobicContact CG1-CE 4.48Å
604	R	89.6	Confident	86.4	Confident	2 Å²	2	40 Å²	40	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	114.8	165.9	-47.9	-54.8	-170.2	-105	1.8	108.3	L292 H296 E548 Y592 T600 Y629 V630 V632	L292-R604 HydrophobicContact CD1-CB 3.71Å; H296-R604 WeakPolarHBondContact CE1-CD 3.39Å; H296-R604 PolarHBondContact CE1-NE 3.26Å; H296-R604 PolarHBondContact CE1-NH1 3.17Å; H296-R604 PolarHBondContact NE2-NE 3.01Å; E548-R604 WeakPolarHBondContact OE1-CD 3.46Å; E548-R604 IonicContact OE1-CZ 2.76Å; E548-R604 IonicContact OE1-NE 3.34Å; E548-R604 PolarHBondContact OE1-NE 3.11Å; E548-R604 IonicContact OE1-NH2 3.41Å; E548-R604 IonicContact OE2-CZ 2.63Å; E548-R604 IonicContact OE2-NE 3.26Å; E548-R604 IonicContact OE2-NH2 2.71Å; E548-R604 PolarHBondContact OE2-NH2 3.17Å; Y592-R604 HydrophobicContact CE2-CG 4.26Å; T600-R604 PolarHBondContact O-NH1 3.46Å; T600-R604 PolarHBondContact O-NH2 3.06Å; R604-Y629 CarbonylContact O-C 3.53Å; R604-Y629 WeakPolarHBondContact O-CA 3.04Å; R604-Y629 WeakPolarHBondContact O-CB 3.2Å; R604-V630 HydrophobicContact CB-CB 4.18Å; R604-V630 HydrophobicContact CG-CB 4.4Å; R604-V630 PolarHBondContact N-O 3.13Å; R604-V630 PolarHBondContact O-N 2.72Å; R604-V632 HydrophobicContact CG-CG2 4.18Å
605	H	91.8	Very high	85.7	Confident	101 Å²	101	46 Å²	46	47%	0.468	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	138.8	178.1	-71.5	-69.8	0	0	0	110.8	L292 E293	L292-H605 WeakPolarHBondContact CA-O 3.38Å; E293-H605 HydrophobicContact CB-CB 4.08Å; E293-H605 PolarHBondContact N-O 3.02Å; E293-H605 WeakPolarHBondContact OE2-CB 3.29Å; E293-H605 IonicContact OE2-CD2 2.69Å; E293-H605 PolarHBondContact OE2-CD2 2.93Å; E293-H605 IonicContact OE2-CG 2.68Å
606	L	93.4	Very high	85	Confident	6 Å²	6	49 Å²	49	3%	0.031	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.7	176.2	-82.2	170.6	0	0	0	109	L270 F271 I290 E291 L292 L550 E627 G628 V630	L270-L606 HydrophobicContact CD1-CD1 3.92Å; L270-L606 HydrophobicContact CD1-CD2 4.16Å; L270-L606 HydrophobicContact CD2-CD1 4Å; F271-L606 HydrophobicContact CE1-CD1 4.4Å; F271-L606 HydrophobicContact CZ-CD1 4.39Å; I290-L606 HydrophobicContact CG2-CD2 4.33Å; E291-L606 WeakPolarHBondContact O-CA 3.33Å; L292-L606 HydrophobicContact CB-CD2 4.05Å; L292-L606 HydrophobicContact CD1-CD2 3.57Å; L292-L606 HydrophobicContact CD1-CG 3.95Å; L292-L606 HydrophobicContact CG-CD2 4.42Å; L550-L606 HydrophobicContact CD2-CD2 4.34Å; L606-E627 WeakPolarHBondContact O-CA 3.48Å; L606-G628 PolarHBondContact N-O 3.21Å; L606-G628 PolarHBondContact O-N 3.37Å; L606-V630 HydrophobicContact CD1-CG2 3.67Å; L606-V630 HydrophobicContact CG-CG2 4.3Å
607	R	93.9	Very high	84.3	Confident	107 Å²	107	56.4 Å²	56.4	40%	0.404	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.3	173.6	-174.7	-177.9	-174.4	156.9	5.5	110.3	I290 E291 D625	I290-R607 CarbonylContact C-O 3.58Å; I290-R607 WeakPolarHBondContact CA-O 3.38Å; E291-R607 HydrophobicContact CB-CB 4.43Å; E291-R607 PolarHBondContact N-O 2.87Å; E291-R607 PolarHBondContact O-N 2.87Å; R607-D625 IonicContact CZ-OD2 3.9Å; R607-D625 IonicContact NE-OD2 3.03Å; R607-D625 PolarHBondContact NE-OD2 3.23Å; R607-D625 IonicContact NH2-OD2 3.52Å; R607-D625 PolarHBondContact NH2-OD2 3.22Å
608	I	94.8	Very high	83.9	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	107.7	174.7	-52.2	174	0	0	0	108.5	F255 F271 M274 A288 S289 I290 M587 D625 A626	F255-I608 HydrophobicContact CD2-CD1 3.92Å; F255-I608 HydrophobicContact CE2-CD1 3.61Å; F271-I608 HydrophobicContact CE1-CD1 4.03Å; F271-I608 HydrophobicContact CE2-CD1 4.08Å; F271-I608 HydrophobicContact CZ-CD1 3.76Å; F271-I608 HydrophobicContact CZ-CG1 4.41Å; M274-I608 HydrophobicContact CE-CD1 3.99Å; M274-I608 HydrophobicContact SD-CD1 4.08Å; A288-I608 HydrophobicContact CB-CG2 4.42Å; S289-I608 CarbonylContact O-C 3.55Å; S289-I608 WeakPolarHBondContact O-CA 3.46Å; I290-I608 HydrophobicContact CG1-CG1 4.31Å; I290-I608 HydrophobicContact CG1-CG2 4.43Å; I290-I608 HydrophobicContact CG2-CG1 4.35Å; M587-I608 HydrophobicContact CE-CG2 4.33Å; I608-D625 WeakPolarHBondContact O-CA 3.43Å; I608-A626 HydrophobicContact CB-CB 4.2Å; I608-A626 HydrophobicContact CD1-CB 4.41Å; I608-A626 PolarHBondContact N-O 2.91Å; I608-A626 PolarHBondContact O-N 3.37Å
609	S	94.4	Very high	83.5	Confident	31 Å²	31	60.4 Å²	60.4	22%	0.217	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.4	177.6	-56.9	0	0	0	0	109.1	A288 S289	A288-S609 CarbonylContact C-O 3.58Å; A288-S609 WeakPolarHBondContact CA-O 3.35Å; S289-S609 PolarHBondContact N-O 3.18Å; S289-S609 PolarHBondContact O-N 2.93Å
610	T	92.9	Very high	83	Confident	11 Å²	11	64 Å²	64	7%	0.067	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.9	-170.1	-53.3	0	0	0	0	112.6	W252 V286 V612 V623	W252-T610 HydrophobicContact CZ2-CG2 4.35Å; W252-T610 PolarHBondContact NE1-OG1 2.6Å; V286-T610 HydrophobicContact CG1-CG2 4.07Å; T610-V612 HydrophobicContact CG2-CG2 4.33Å; T610-V623 HydrophobicContact CG2-CB 4.26Å; T610-V623 HydrophobicContact CG2-CG1 4.2Å; T610-V623 HydrophobicContact CG2-CG2 4.36Å
611	T	90.4	Very high	82.9	Confident	80 Å²	80	63.9 Å²	63.9	49%	0.491	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.3	178	54.5	0	0	0	0	110.2	R287	R287-T611 PolarHBondContact N-O 3.07Å; R287-T611 PolarHBondContact O-N 2.67Å; R287-T611 PolarHBondContact O-OG1 3.17Å; R287-T611 VanDerWaalsContact O-OG1 3.09Å
612	V	88.8	Confident	82.8	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.012	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.7	-173.8	179.8	0	0	0	0	109	L276 I283 V286 T610 A619 V623	L276-V612 HydrophobicContact CD2-CG2 4.48Å; I283-V612 HydrophobicContact CB-CG1 4.23Å; I283-V612 HydrophobicContact CD1-CG1 3.6Å; I283-V612 HydrophobicContact CG1-CG1 3.54Å; I283-V612 HydrophobicContact CG2-CG1 3.74Å; V286-V612 HydrophobicContact CG1-CG2 4.33Å; T610-V612 HydrophobicContact CG2-CG2 4.33Å; V612-A619 WeakPolarHBondContact O-CA 3.39Å; V612-V623 HydrophobicContact CG2-CG2 3.64Å
613	K	86.3	Confident	82.9	Confident	89 Å²	89	65 Å²	65	39%	0.387	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	145.9	174.8	-67.7	-180	-174.6	162.9	0	110.6	T284 S285	T284-K613 PolarHBondContact N-O 2.95Å; T284-K613 VanDerWaalsContact OG1-C 3.24Å; T284-K613 PolarHBondContact OG1-O 2.69Å; T284-K613 VanDerWaalsContact OG1-O 3.12Å; S285-K613 PolarHBondContact O-N 2.78Å
614	C	81.8	Confident	83	Confident	8 Å²	8	64.9 Å²	64.9	5%	0.054	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	176.1	-179.7	-48.2	0	0	0	0	110.2	T284 N616 E617 C620	T284-C614 PolarHBondContact OG1-N 2.84Å; T284-C614 PolarHBondContact OG1-O 3.3Å; C614-N616 PolarHBondContact O-N 3.02Å; C614-E617 PolarHBondContact O-N 3.04Å; C614-C620 HydrophobicContact CB-CB 3.71Å; C614-C620 WeakPolarHBondContact CB-SG 3.5Å; C614-C620 WeakPolarHBondContact SG-CB 3.44Å; C614-C620 CovalentContact SG-SG 2.03Å; C614-C620 PolarHBondContact SG-SG 2.85Å
615	L	74.1	Confident	83.1	Confident	126 Å²	126	68 Å²	68	66%	0.66	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-11.9	-176	-84.5	139.3	0	0	0	117.2	P282 T284	P282-L615 HydrophobicContact CB-CD1 3.87Å; P282-L615 HydrophobicContact CG-CD1 4.04Å; T284-L615 HydrophobicContact CG2-CG 3.98Å
616	N	67.3	Low	83.1	Confident	138 Å²	138	63.9 Å²	63.9	74%	0.738	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	12.8	178.2	-64.4	-6.3	0	0	0	113.3	C614 D618	C614-N616 PolarHBondContact O-N 3.02Å; N616-D618 PolarHBondContact O-N 3.22Å
617	E	64.9	Low	83.1	Confident	173 Å²	173	69.6 Å²	69.6	81%	0.808	39%	0.393	S	S	*	.	S	Bend	trans	63.3	-20.6	-174.6	-60.4	-175	172.1	0	0	116.2	C614	C614-E617 PolarHBondContact O-N 3.04Å
618	D	65.3	Low	83.1	Confident	121 Å²	121	64.9 Å²	64.9	65%	0.647	38%	0.377	S	S	*	.	S	Bend	trans	-70.9	150.2	169.5	-71.7	-38.5	0	0	0	113	N616 C620	N616-D618 PolarHBondContact O-N 3.22Å; D618-C620 PolarHBondContact O-N 3.3Å; D618-C620 VanDerWaalsContact O-N 3.08Å
619	A	66.3	Low	83.1	Confident	79 Å²	79	68 Å²	68	65%	0.653	39%	0.39	S	S	*	.			trans	-70.6	98.8	171.3	0	0	0	0	0	110.5	V612	V612-A619 WeakPolarHBondContact O-CA 3.39Å
620	C	71.1	Confident	83	Confident	77 Å²	77	66.5 Å²	66.5	52%	0.52	38%	0.379	S	S	.	.			trans	-90.5	-12.8	-172.9	87.7	0	0	0	0	114.8	C614 D618	C614-C620 HydrophobicContact CB-CB 3.71Å; C614-C620 WeakPolarHBondContact CB-SG 3.5Å; C614-C620 WeakPolarHBondContact SG-CB 3.44Å; C614-C620 CovalentContact SG-SG 2.03Å; C614-C620 PolarHBondContact SG-SG 2.85Å; D618-C620 PolarHBondContact O-N 3.3Å; D618-C620 VanDerWaalsContact O-N 3.08Å
621	V	75.8	Confident	83	Confident	26 Å²	26	68 Å²	68	16%	0.158	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.1	-179.2	170.1	0	0	0	0	109.8	P250 V281 V623	P250-V621 HydrophobicContact CB-CG1 3.5Å; P250-V621 VanDerWaalsContact CB-CG1 3.5Å; P250-V621 HydrophobicContact CG-CG1 3.57Å; V281-V621 HydrophobicContact CB-CG2 4.44Å; V281-V621 HydrophobicContact CG1-CG2 3.91Å; V281-V621 HydrophobicContact CG2-CG2 4.27Å; V621-V623 HydrophobicContact CG1-CG2 4.15Å
622	A	81.5	Confident	83	Confident	95 Å²	95	64.4 Å²	64.4	79%	0.785	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	110.2	166.4	0	0	0	0	0	109.3
623	V	88.6	Confident	83.1	Confident	10 Å²	10	67.4 Å²	67.4	6%	0.061	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-86	129.5	166.1	-179.9	0	0	0	0	106.8	P250 L276 T610 V612 V621	P250-V623 HydrophobicContact CB-CG2 4.27Å; L276-V623 HydrophobicContact CD1-CG1 4.17Å; L276-V623 HydrophobicContact CD1-CG2 4.32Å; T610-V623 HydrophobicContact CG2-CB 4.26Å; T610-V623 HydrophobicContact CG2-CG1 4.2Å; T610-V623 HydrophobicContact CG2-CG2 4.36Å; V612-V623 HydrophobicContact CG2-CG2 3.64Å; V621-V623 HydrophobicContact CG1-CG2 4.15Å
624	P	89.6	Confident	82.9	Confident	80 Å²	80	69.5 Å²	69.5	52%	0.519	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-70	143.1	176.3	29.9	-33.8	0	0	0	110.6	P250	P250-P624 VanDerWaalsContact O-CD 3.28Å; P250-P624 WeakPolarHBondContact O-CD 3.41Å
625	D	92.1	Very high	83	Confident	69 Å²	69	69.4 Å²	69.4	37%	0.369	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-57.4	138.4	173.4	-64.3	-5.5	0	0	0	110.4	R607 I608	R607-D625 IonicContact CZ-OD2 3.9Å; R607-D625 IonicContact NE-OD2 3.03Å; R607-D625 PolarHBondContact NE-OD2 3.23Å; R607-D625 IonicContact NH2-OD2 3.52Å; R607-D625 PolarHBondContact NH2-OD2 3.22Å; I608-D625 WeakPolarHBondContact O-CA 3.43Å
626	A	92.5	Very high	83.3	Confident	13 Å²	13	67 Å²	67	11%	0.107	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.1	173.3	0	0	0	0	0	109.9	F255 I608	F255-A626 HydrophobicContact CD1-CB 4.23Å; F255-A626 HydrophobicContact CE1-CB 4.17Å; F255-A626 HydrophobicContact CG-CB 4.42Å; F255-A626 HydrophobicContact CZ-CB 4.32Å; I608-A626 HydrophobicContact CB-CB 4.2Å; I608-A626 HydrophobicContact CD1-CB 4.41Å; I608-A626 PolarHBondContact N-O 2.91Å; I608-A626 PolarHBondContact O-N 3.37Å
627	E	93.9	Very high	83.7	Confident	126 Å²	126	65.2 Å²	65.2	59%	0.589	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.5	-179.2	-66.8	176.5	175.2	0	0	110.4	F255 L606	F255-E627 WeakPolarHBondContact CE1-O 3.43Å; L606-E627 WeakPolarHBondContact O-CA 3.48Å
628	G	93.1	Very high	84.6	Confident	8 Å²	8	57.4 Å²	57.4	8%	0.082	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	-166	176.9	0	0	0	0	0	111.1	K257 L606	K257-G628 CarbonylContact O-C 3.55Å; K257-G628 VanDerWaalsContact O-CA 3.22Å; K257-G628 WeakPolarHBondContact O-CA 3.22Å; L606-G628 PolarHBondContact N-O 3.21Å; L606-G628 PolarHBondContact O-N 3.37Å
629	Y	94.1	Very high	85.6	Confident	65 Å²	65	58.5 Å²	58.5	26%	0.255	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	153.8	174.4	58	-89	0	0	0	113.4	K257 R258 T259 I603 R604 M631	K257-Y629 PolarHBondContact O-N 2.98Å; R258-Y629 HydrophobicContact CB-CE1 4.45Å; R258-Y629 HydrophobicContact CB-CE2 4Å; R258-Y629 HydrophobicContact CG-CE2 3.73Å; T259-Y629 PolarHBondContact N-O 3.32Å; T259-Y629 VanDerWaalsContact N-O 3.07Å; I603-Y629 HydrophobicContact CG2-CD2 3.96Å; I603-Y629 HydrophobicContact CG2-CG 3.85Å; R604-Y629 CarbonylContact O-C 3.53Å; R604-Y629 WeakPolarHBondContact O-CA 3.04Å; R604-Y629 WeakPolarHBondContact O-CB 3.2Å; Y629-M631 HydrophobicContact CD2-CB 4.35Å; Y629-M631 HydrophobicContact CE2-CB 4.31Å; Y629-M631 HydrophobicContact CE2-CE 3.99Å
630	V	93.6	Very high	86.7	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.7	162.5	-169.1	0	0	0	0	108.1	T259 L270 L292 Y592 I603 R604 L606	T259-V630 CarbonylContact O-C 3.18Å; T259-V630 VanDerWaalsContact O-CA 3.3Å; T259-V630 WeakPolarHBondContact O-CA 3.42Å; L270-V630 HydrophobicContact CD2-CG2 3.67Å; L292-V630 HydrophobicContact CD1-CG2 4.42Å; Y592-V630 HydrophobicContact CD1-CG1 4.11Å; Y592-V630 HydrophobicContact CD2-CG2 4.15Å; Y592-V630 HydrophobicContact CE1-CG1 4.21Å; Y592-V630 HydrophobicContact CG-CG1 4.26Å; Y592-V630 HydrophobicContact CG-CG2 4.2Å; I603-V630 CarbonylContact C-O 3.59Å; I603-V630 WeakPolarHBondContact CA-O 3.36Å; R604-V630 HydrophobicContact CB-CB 4.18Å; R604-V630 HydrophobicContact CG-CB 4.4Å; R604-V630 PolarHBondContact N-O 3.13Å; R604-V630 PolarHBondContact O-N 2.72Å; L606-V630 HydrophobicContact CD1-CG2 3.67Å; L606-V630 HydrophobicContact CG-CG2 4.3Å
631	M	92.6	Very high	87.7	Confident	44 Å²	44	53 Å²	53	22%	0.217	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	103.4	170	-178.5	171.5	-75.6	0	0	108.2	T259 E260 Y261 I603 Y629 L633	T259-M631 PolarHBondContact O-N 2.91Å; E260-M631 WeakPolarHBondContact CA-O 3.34Å; E260-M631 HydrophobicContact CG-CB 4.38Å; Y261-M631 PolarHBondContact N-O 2.92Å; I603-M631 HydrophobicContact CG1-CE 4.48Å; Y629-M631 HydrophobicContact CD2-CB 4.35Å; Y629-M631 HydrophobicContact CE2-CB 4.31Å; Y629-M631 HydrophobicContact CE2-CE 3.99Å; M631-L633 HydrophobicContact CG-CD2 4.32Å; M631-L633 PolarHBondContact O-N 3.42Å
632	V	90.7	Very high	88.6	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	115	172.5	-178.8	0	0	0	0	107.7	Y261 Y592 P599 P601 G602 R604	Y261-V632 HydrophobicContact CD1-CG1 4.36Å; Y592-V632 HydrophobicContact CE1-CG2 4.45Å; Y592-V632 VanDerWaalsContact OH-CG2 3.23Å; Y592-V632 WeakPolarHBondContact OH-CG2 3.37Å; P599-V632 HydrophobicContact CB-CG1 3.84Å; P599-V632 HydrophobicContact CG-CG1 4.05Å; P601-V632 WeakPolarHBondContact CA-O 3.33Å; G602-V632 PolarHBondContact N-O 2.98Å; G602-V632 PolarHBondContact O-N 3.07Å; R604-V632 HydrophobicContact CG-CG2 4.18Å
633	L	89.6	Confident	89.2	Confident	65 Å²	65	50.5 Å²	50.5	34%	0.34	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-71	159.9	178.5	-57.4	179	0	0	0	110.7	Y261 M631 P635	Y261-L633 PolarHBondContact O-N 2.92Å; M631-L633 HydrophobicContact CG-CD2 4.32Å; M631-L633 PolarHBondContact O-N 3.42Å; L633-P635 WeakPolarHBondContact O-CD 3.28Å
634	Q	83.5	Confident	89.4	Confident	133 Å²	133	51.8 Å²	51.8	62%	0.621	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-68.5	124.3	177.4	-175.2	167.2	-1.7	0	0	109.6	P601 E637	P601-Q634 HydrophobicContact CB-CB 4.34Å; Q634-E637 PolarHBondContact NE2-OE1 2.97Å
635	P	82.8	Confident	89.4	Confident	6 Å²	6	50.7 Å²	50.7	4%	0.039	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-70	148.9	171.6	30.6	-35	0	0	0	110.5	P263 F598 P599 L633 E637	P263-P635 HydrophobicContact CB-CB 3.84Å; P263-P635 HydrophobicContact CG-CB 3.79Å; F598-P635 HydrophobicContact CB-CG 4.3Å; F598-P635 HydrophobicContact CD1-CB 4.13Å; F598-P635 HydrophobicContact CD1-CG 4.41Å; P599-P635 WeakPolarHBondContact O-CD 3.49Å; P599-P635 WeakPolarHBondContact O-CG 3.43Å; L633-P635 WeakPolarHBondContact O-CD 3.28Å; P635-E637 PolarHBondContact O-N 3.04Å
636	E	80.1	Confident	89.3	Confident	77 Å²	77	51.4 Å²	51.4	36%	0.36	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-58.9	124.4	170.6	-59	171.8	143.8	0	0	109	F598 I673 R675	F598-E636 WeakPolarHBondContact CE1-O 3.4Å; E636-I673 HydrophobicContact CB-CG1 4.45Å; E636-I673 HydrophobicContact CB-CG2 3.66Å; E636-I673 HydrophobicContact CG-CG2 4.37Å; E636-I673 WeakPolarHBondContact OE2-CG2 3.43Å; E636-R675 WeakPolarHBondContact OE1-CA 3.33Å; E636-R675 WeakPolarHBondContact OE1-CG 3.33Å; E636-R675 WeakPolarHBondContact OE2-CG 3.36Å; E636-R675 IonicContact OE2-NE 3.28Å
637	E	77.1	Confident	89.2	Confident	100 Å²	100	56.7 Å²	56.7	47%	0.467	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-80.3	133.3	-170.7	-66.2	-177.1	-177.4	0	0	111.4	Q634 P635 Y792	Q634-E637 PolarHBondContact NE2-OE1 2.97Å; P635-E637 PolarHBondContact O-N 3.04Å; E637-Y792 HydrophobicContact CB-CE1 4.18Å; E637-Y792 HydrophobicContact CG-CE1 4.16Å
638	P	82.4	Confident	89.2	Confident	9 Å²	9	51.7 Å²	51.7	6%	0.058	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-77.5	132.3	-177.4	32.5	-34.7	0	0	0	111.5	F598 I673 I704 Y792	F598-P638 HydrophobicContact CD1-CG 4.47Å; F598-P638 HydrophobicContact CE1-CB 4.27Å; F598-P638 HydrophobicContact CE1-CG 3.97Å; F598-P638 HydrophobicContact CE2-CG 4.21Å; F598-P638 HydrophobicContact CZ-CB 3.98Å; F598-P638 HydrophobicContact CZ-CG 3.85Å; P638-I673 HydrophobicContact CB-CG1 4.49Å; P638-I704 HydrophobicContact CB-CD1 3.91Å; P638-Y792 HydrophobicContact CG-CD1 4.35Å; P638-Y792 HydrophobicContact CG-CD2 3.45Å; P638-Y792 VanDerWaalsContact CG-CD2 3.45Å; P638-Y792 HydrophobicContact CG-CE1 4.48Å; P638-Y792 HydrophobicContact CG-CE2 3.57Å; P638-Y792 HydrophobicContact CG-CG 3.87Å
639	K	86.9	Confident	89	Confident	144 Å²	144	53.2 Å²	53.2	63%	0.626	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	101.7	179.6	-173	177	178.3	178.7	0	111.4	S641 T672	K639-S641 PolarHBondContact O-N 2.9Å; K639-T672 PolarHBondContact N-O 2.96Å; K639-T672 PolarHBondContact O-N 3.03Å
640	I	90.2	Very high	88.8	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	121.2	174.4	-49.3	168.2	0	0	0	109.2	I669 L708 E787 S794	I640-I669 HydrophobicContact CG2-CG2 4.16Å; I640-L708 HydrophobicContact CD1-CD2 3.92Å; I640-L708 HydrophobicContact CG2-CD2 4.27Å; I640-E787 HydrophobicContact CD1-CB 3.82Å; I640-S794 WeakPolarHBondContact O-CA 3.22Å
641	S	91.4	Very high	88.6	Confident	37 Å²	37	56.4 Å²	56.4	26%	0.259	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115	-177.7	-60.2	0	0	0	0	110.8	K639 V670 N795	K639-S641 PolarHBondContact O-N 2.9Å; S641-V670 PolarHBondContact N-O 2.88Å; S641-V670 PolarHBondContact O-N 3.4Å; S641-N795 WeakPolarHBondContact CA-OD1 3.48Å
642	L	94.3	Very high	88.3	Confident	7 Å²	7	55.2 Å²	55.2	4%	0.037	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.9	171.9	-59.4	-178.1	0	0	0	109.7	L667 I669 L783 C785 S794 N795 F797	L642-L667 HydrophobicContact CB-CD1 4.41Å; L642-I669 HydrophobicContact CD2-CB 4.23Å; L642-I669 HydrophobicContact CD2-CD1 4.13Å; L642-I669 HydrophobicContact CD2-CG1 3.65Å; L642-I669 HydrophobicContact CD2-CG2 3.98Å; L642-L783 HydrophobicContact CD1-CB 4.45Å; L642-L783 HydrophobicContact CD1-CD2 3.93Å; L642-L783 HydrophobicContact CD1-CG 3.77Å; L642-C785 HydrophobicContact CD2-CB 4.46Å; L642-S794 WeakPolarHBondContact CD1-OG 3.13Å; L642-N795 PolarHBondContact N-OD1 3.42Å; L642-N795 PolarHBondContact O-ND2 3.49Å; L642-F797 HydrophobicContact CB-CB 3.71Å; L642-F797 HydrophobicContact CB-CD2 4.49Å; L642-F797 HydrophobicContact CB-CG 4.17Å; L642-F797 HydrophobicContact CD1-CB 3.8Å; L642-F797 HydrophobicContact CG-CB 4.44Å
643	S	93.9	Very high	88.1	Confident	61 Å²	61	58.3 Å²	58.3	43%	0.427	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	157.6	178.7	61.2	0	0	0	0	111.4	L667 R668	S643-L667 CarbonylContact O-C 3.59Å; S643-L667 WeakPolarHBondContact O-CA 3.46Å; S643-R668 PolarHBondContact N-O 2.85Å; S643-R668 PolarHBondContact O-N 2.92Å
644	G	92	Very high	88	Confident	36 Å²	36	58.9 Å²	58.9	37%	0.371	32%	0.321	S	S	.	.	S	Bend	trans	154.8	-166.1	-177.4	0	0	0	0	0	111.5	D646 E666	G644-D646 PolarHBondContact O-N 2.95Å; G644-E666 WeakPolarHBondContact CA-O 3.47Å
645	I	91.3	Very high	88.2	Confident	57 Å²	57	52.6 Å²	52.6	29%	0.292	29%	0.291	S	S	.	.			trans	-72.3	117.1	173.7	-62.2	173.2	0	0	0	109.7	H647 F648 E666	I645-H647 VanDerWaalsContact CG2-O 3.26Å; I645-H647 WeakPolarHBondContact CG2-O 3.22Å; I645-F648 HydrophobicContact CG2-CB 4.29Å; I645-F648 HydrophobicContact CG2-CD1 4.22Å; I645-E666 HydrophobicContact CD1-CB 4.26Å; I645-E666 VanDerWaalsContact CD1-CD 3.45Å; I645-E666 HydrophobicContact CD1-CG 4.05Å; I645-E666 HydrophobicContact CG1-CB 4.27Å
646	D	89.2	Confident	88.5	Confident	85 Å²	85	56.2 Å²	56.2	46%	0.455	31%	0.308	S	S	.	.			trans	-97.4	-11.2	-178.3	64.4	-14.8	0	0	0	113.7	G644 F797 K798 V799 E800	G644-D646 PolarHBondContact O-N 2.95Å; D646-F797 HydrophobicContact CB-CE2 4.26Å; D646-F797 HydrophobicContact CB-CZ 4.36Å; D646-K798 WeakPolarHBondContact CB-O 3.37Å; D646-V799 CarbonylContact O-C 3.56Å; D646-V799 VanDerWaalsContact O-CA 3.28Å; D646-V799 WeakPolarHBondContact O-CA 2.96Å; D646-E800 PolarHBondContact O-N 3.17Å
647	H	91.4	Very high	88.8	Confident	124 Å²	124	54.5 Å²	54.5	57%	0.574	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.3	135.4	174.2	64.7	-73.2	0	0	0	111.6	I645 E800	I645-H647 VanDerWaalsContact CG2-O 3.26Å; I645-H647 WeakPolarHBondContact CG2-O 3.22Å; H647-E800 WeakPolarHBondContact CA-O 3.4Å; H647-E800 HydrophobicContact CB-CB 4.44Å
648	F	92.5	Very high	89	Confident	20 Å²	20	58.7 Å²	58.7	9%	0.088	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	166	170.8	65	-94.3	0	0	0	112.2	I645 R650 V661 T662 V799 E800 V801 N802	I645-F648 HydrophobicContact CG2-CB 4.29Å; I645-F648 HydrophobicContact CG2-CD1 4.22Å; F648-R650 HydrophobicContact CD2-CG 4.08Å; F648-R650 HydrophobicContact CE2-CG 4.07Å; F648-V661 HydrophobicContact CE2-CG1 3.55Å; F648-V661 HydrophobicContact CZ-CG1 3.94Å; F648-T662 VanDerWaalsContact CZ-O 3.32Å; F648-T662 WeakPolarHBondContact CZ-O 3.4Å; F648-V799 HydrophobicContact CD1-CG1 4.26Å; F648-V799 HydrophobicContact CE1-CG1 3.74Å; F648-E800 PolarHBondContact N-O 2.83Å; F648-V801 HydrophobicContact CD2-CG1 4.4Å; F648-V801 HydrophobicContact CE1-CG2 4.01Å; F648-V801 HydrophobicContact CE2-CB 4.5Å; F648-V801 HydrophobicContact CE2-CG1 3.7Å; F648-V801 HydrophobicContact CE2-CG2 4.25Å; F648-V801 HydrophobicContact CZ-CB 4.41Å; F648-V801 HydrophobicContact CZ-CG1 3.97Å; F648-V801 HydrophobicContact CZ-CG2 3.69Å; F648-N802 PolarHBondContact O-N 3.06Å
649	A	89.8	Confident	89	Confident	41 Å²	41	65.1 Å²	65.1	34%	0.339	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148	176.9	0	0	0	0	0	111.6	N802 I804	A649-N802 CarbonylContact C-O 3.59Å; A649-N802 WeakPolarHBondContact CA-O 3.27Å; A649-N802 HydrophobicContact CB-CB 3.89Å; A649-I804 HydrophobicContact CB-CD1 3.76Å; A649-I804 HydrophobicContact CB-CG1 3.92Å
650	R	90.6	Very high	89.1	Confident	92 Å²	92	58.6 Å²	58.6	35%	0.347	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	162.2	175.5	-67.2	-59.4	-175.3	-88.8	-3.1	110.9	F648 E654 F655 V661 N802 I804	F648-R650 HydrophobicContact CD2-CG 4.08Å; F648-R650 HydrophobicContact CE2-CG 4.07Å; R650-E654 HydrophobicContact CB-CB 4.47Å; R650-E654 WeakPolarHBondContact CD-OE2 3.41Å; R650-F655 HydrophobicContact CB-CE2 3.73Å; R650-F655 HydrophobicContact CB-CZ 3.86Å; R650-V661 HydrophobicContact CB-CG2 4.3Å; R650-V661 HydrophobicContact CG-CG1 3.91Å; R650-V661 HydrophobicContact CG-CG2 4.27Å; R650-N802 PolarHBondContact N-O 2.81Å; R650-I804 WeakPolarHBondContact O-CB 3.43Å; R650-I804 PolarHBondContact O-N 3.07Å
651	S	88.6	Confident	89.2	Confident	39 Å²	39	58.8 Å²	58.8	27%	0.273	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	147.9	176.6	66.7	0	0	0	0	111.5	A653 E654 F655	S651-A653 PolarHBondContact O-N 2.76Å; S651-A653 VanDerWaalsContact O-N 3.16Å; S651-E654 WeakPolarHBondContact CB-OE1 3.24Å; S651-E654 PolarHBondContact N-OE1 3.02Å; S651-E654 WeakPolarHBondContact O-CB 3.22Å; S651-E654 PolarHBondContact O-N 2.89Å; S651-E654 WeakPolarHBondContact OG-CG 3.41Å; S651-E654 PolarHBondContact OG-OE1 3.44Å; S651-F655 VanDerWaalsContact O-CD2 3.3Å; S651-F655 WeakPolarHBondContact O-CD2 3.48Å
652	A	85.9	Confident	89.2	Confident	19 Å²	19	58.4 Å²	58.4	16%	0.157	32%	0.324	C	S	.	.	H	α-helix	trans	-45	-45.5	175.6	0	0	0	0	0	113.3	E654 F655 E656 T773 V803 I804	A652-E654 PolarHBondContact O-N 2.99Å; A652-E654 VanDerWaalsContact O-N 3.13Å; A652-F655 PolarHBondContact O-N 3.18Å; A652-F655 VanDerWaalsContact O-N 3.14Å; A652-E656 PolarHBondContact O-N 2.8Å; A652-T773 WeakPolarHBondContact CB-OG1 3.09Å; A652-V803 HydrophobicContact CB-CG1 4.17Å; A652-I804 PolarHBondContact N-O 3.23Å
653	A	85.8	Confident	89.1	Confident	68 Å²	68	58.1 Å²	58.1	56%	0.562	32%	0.322	S	S	*	.	H	α-helix	trans	-63	-18.8	-179	0	0	0	0	0	115	S651 S657	S651-A653 PolarHBondContact O-N 2.76Å; S651-A653 VanDerWaalsContact O-N 3.16Å; A653-S657 PolarHBondContact O-N 2.87Å
654	E	87.9	Confident	89.1	Confident	78 Å²	78	55.3 Å²	55.3	36%	0.364	30%	0.302	S	S	.	.	H	α-helix	trans	-79.5	-33.6	176.3	-69.6	166.9	-95.4	0	0	112	R650 S651 A652 S657 V661	R650-E654 HydrophobicContact CB-CB 4.47Å; R650-E654 WeakPolarHBondContact CD-OE2 3.41Å; S651-E654 WeakPolarHBondContact CB-OE1 3.24Å; S651-E654 PolarHBondContact N-OE1 3.02Å; S651-E654 WeakPolarHBondContact O-CB 3.22Å; S651-E654 PolarHBondContact O-N 2.89Å; S651-E654 WeakPolarHBondContact OG-CG 3.41Å; S651-E654 PolarHBondContact OG-OE1 3.44Å; A652-E654 PolarHBondContact O-N 2.99Å; A652-E654 VanDerWaalsContact O-N 3.13Å; E654-S657 WeakPolarHBondContact O-CB 3.49Å; E654-S657 PolarHBondContact O-N 3.01Å; E654-S657 PolarHBondContact O-OG 3.1Å; E654-V661 HydrophobicContact CB-CG2 3.93Å
655	F	88.9	Confident	88.8	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-72.2	-35.2	175.4	-61.2	-84.2	0	0	0	112.4	R650 S651 A652 S657 V661 Y768 N770 T773 V801 V803	R650-F655 HydrophobicContact CB-CE2 3.73Å; R650-F655 HydrophobicContact CB-CZ 3.86Å; S651-F655 VanDerWaalsContact O-CD2 3.3Å; S651-F655 WeakPolarHBondContact O-CD2 3.48Å; A652-F655 PolarHBondContact O-N 3.18Å; A652-F655 VanDerWaalsContact O-N 3.14Å; F655-S657 PolarHBondContact O-N 2.78Å; F655-V661 HydrophobicContact CD1-CB 4.04Å; F655-V661 HydrophobicContact CD1-CG2 3.61Å; F655-V661 HydrophobicContact CD2-CG2 4.36Å; F655-V661 HydrophobicContact CE1-CB 3.91Å; F655-V661 HydrophobicContact CE1-CG1 4.16Å; F655-V661 HydrophobicContact CE1-CG2 3.68Å; F655-V661 HydrophobicContact CE2-CG2 4.42Å; F655-V661 HydrophobicContact CG-CG2 3.97Å; F655-V661 HydrophobicContact CZ-CG2 4.1Å; F655-Y768 AromaticContact CD1-CD1 3.83Å; F655-Y768 HydrophobicContact CD1-CD1 3.83Å; F655-Y768 AromaticContact CD1-CE1 3.88Å; F655-Y768 HydrophobicContact CD1-CE1 3.88Å; F655-Y768 AromaticContact CE1-CD1 3.92Å; F655-Y768 HydrophobicContact CE1-CD1 3.92Å; F655-Y768 HydrophobicContact CE1-CE1 4.03Å; F655-N770 CarbonylContact C-O 3.47Å; F655-N770 VanDerWaalsContact C-O 3.28Å; F655-N770 HydrophobicContact CB-CB 4.35Å; F655-N770 PolarHBondContact O-N 3.43Å; F655-N770 VanDerWaalsContact O-N 3.16Å; F655-T773 HydrophobicContact CB-CG2 3.77Å; F655-T773 HydrophobicContact CD2-CG2 4.48Å; F655-T773 HydrophobicContact CG-CG2 4.41Å; F655-V801 HydrophobicContact CE1-CG1 3.49Å; F655-V801 VanDerWaalsContact CE1-CG1 3.49Å; F655-V801 HydrophobicContact CZ-CG1 3.57Å; F655-V803 HydrophobicContact CD2-CG1 4.21Å; F655-V803 HydrophobicContact CD2-CG2 4.32Å; F655-V803 HydrophobicContact CE2-CB 4.27Å; F655-V803 HydrophobicContact CE2-CG1 4.1Å; F655-V803 HydrophobicContact CE2-CG2 3.89Å; F655-V803 HydrophobicContact CZ-CG2 4.11Å
656	E	87.6	Confident	88.7	Confident	82 Å²	82	59.3 Å²	59.3	38%	0.383	32%	0.315	S	S	.	.	S	Bend	trans	-79	-7.6	177.2	-64.9	171.1	-173.7	0	0	112.5	A652 N770 T773	A652-E656 PolarHBondContact O-N 2.8Å; E656-N770 WeakPolarHBondContact CA-O 3.07Å; E656-N770 VanDerWaalsContact CG-O 3.24Å; E656-N770 WeakPolarHBondContact CG-O 3.46Å; E656-N770 PolarHBondContact N-O 3.25Å; E656-T773 HydrophobicContact CG-CG2 3.81Å; E656-T773 WeakPolarHBondContact OE1-CB 3.44Å; E656-T773 WeakPolarHBondContact OE1-CG2 3.35Å; E656-T773 PolarHBondContact OE1-N 2.96Å; E656-T773 PolarHBondContact OE1-OG1 3.21Å
657	S	86.9	Confident	88.9	Confident	41 Å²	41	55.4 Å²	55.4	29%	0.287	29%	0.294	S	S	.	.	S	Bend	trans	-72.2	158.5	-179.1	80.7	0	0	0	0	112.9	A653 E654 F655 E659 G660	A653-S657 PolarHBondContact O-N 2.87Å; E654-S657 WeakPolarHBondContact O-CB 3.49Å; E654-S657 PolarHBondContact O-N 3.01Å; E654-S657 PolarHBondContact O-OG 3.1Å; F655-S657 PolarHBondContact O-N 2.78Å; S657-E659 PolarHBondContact O-N 3.3Å; S657-E659 PolarHBondContact OG-N 3.34Å; S657-G660 PolarHBondContact O-N 3.16Å; S657-G660 PolarHBondContact OG-N 2.99Å; S657-G660 VanDerWaalsContact OG-N 3.08Å
658	Q	81.6	Confident	89	Confident	189 Å²	189	56 Å²	56	88%	0.883	29%	0.291	S	S	*	.	S	Bend	trans	-64.5	-21.7	175.7	-70.8	-170.5	-22.7	0	0	113.8	K769	Q658-K769 WeakPolarHBondContact O-CE 3.25Å; Q658-K769 PolarHBondContact O-NZ 3.01Å
659	E	83.1	Confident	89	Confident	144 Å²	144	55.4 Å²	55.4	67%	0.673	29%	0.289	S	S	*	.	S	Bend	trans	-90.1	-27.9	179.3	-63.8	-171.1	-178.6	0	0	112.8	S657 R767	S657-E659 PolarHBondContact O-N 3.3Å; S657-E659 PolarHBondContact OG-N 3.34Å; E659-R767 WeakPolarHBondContact O-CD 3.27Å; E659-R767 VanDerWaalsContact O-CG 3.31Å; E659-R767 WeakPolarHBondContact O-CG 3.48Å
660	G	88.8	Confident	89	Confident	6 Å²	6	55.5 Å²	55.5	6%	0.062	29%	0.285	C	S	.	.			trans	61.8	-178.7	-174.1	0	0	0	0	0	113.8	S657 R767	S657-G660 PolarHBondContact O-N 3.16Å; S657-G660 PolarHBondContact OG-N 2.99Å; S657-G660 VanDerWaalsContact OG-N 3.08Å; G660-R767 PolarHBondContact O-NH1 2.87Å
661	V	91.8	Very high	88.9	Confident	8 Å²	8	51.2 Å²	51.2	5%	0.048	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.2	-173.4	175.5	0	0	0	0	110.5	F648 R650 E654 F655 L663 R767 Y768	F648-V661 HydrophobicContact CE2-CG1 3.55Å; F648-V661 HydrophobicContact CZ-CG1 3.94Å; R650-V661 HydrophobicContact CB-CG2 4.3Å; R650-V661 HydrophobicContact CG-CG1 3.91Å; R650-V661 HydrophobicContact CG-CG2 4.27Å; E654-V661 HydrophobicContact CB-CG2 3.93Å; F655-V661 HydrophobicContact CD1-CB 4.04Å; F655-V661 HydrophobicContact CD1-CG2 3.61Å; F655-V661 HydrophobicContact CD2-CG2 4.36Å; F655-V661 HydrophobicContact CE1-CB 3.91Å; F655-V661 HydrophobicContact CE1-CG1 4.16Å; F655-V661 HydrophobicContact CE1-CG2 3.68Å; F655-V661 HydrophobicContact CE2-CG2 4.42Å; F655-V661 HydrophobicContact CG-CG2 3.97Å; F655-V661 HydrophobicContact CZ-CG2 4.1Å; V661-L663 PolarHBondContact O-N 2.88Å; V661-R767 WeakPolarHBondContact O-CA 3.42Å; V661-Y768 PolarHBondContact N-O 3.37Å; V661-Y768 PolarHBondContact O-N 3.42Å
662	T	91.9	Very high	88.8	Confident	30 Å²	30	50.6 Å²	50.6	18%	0.184	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	125	174.1	-55.7	0	0	0	0	110.8	F648 P665 H764 I766 R767	F648-T662 VanDerWaalsContact CZ-O 3.32Å; F648-T662 WeakPolarHBondContact CZ-O 3.4Å; T662-P665 HydrophobicContact CG2-CB 4.18Å; T662-H764 WeakPolarHBondContact CG2-O 3.48Å; T662-I766 WeakPolarHBondContact CA-O 3.47Å; T662-R767 PolarHBondContact OG1-NE 2.91Å; T662-R767 VanDerWaalsContact OG1-NE 3.14Å
663	L	91.4	Very high	88.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-76.2	-39	178.6	-71.3	-173.3	0	0	0	113.6	V661 P665 L727 I766 Y768 F781 V801	V661-L663 PolarHBondContact O-N 2.88Å; L663-P665 VanDerWaalsContact C-CD 3.42Å; L663-P665 WeakPolarHBondContact O-CD 3.42Å; L663-L727 HydrophobicContact CD1-CD2 3.62Å; L663-I766 HydrophobicContact CD1-CG2 4Å; L663-I766 HydrophobicContact CG-CG2 4.45Å; L663-I766 PolarHBondContact N-O 2.92Å; L663-Y768 HydrophobicContact CD2-CG 4.35Å; L663-F781 HydrophobicContact CD1-CB 4.42Å; L663-F781 HydrophobicContact CD1-CD1 4.09Å; L663-F781 HydrophobicContact CD1-CD2 3.91Å; L663-F781 HydrophobicContact CD1-CE1 4.36Å; L663-F781 HydrophobicContact CD1-CE2 4.2Å; L663-F781 HydrophobicContact CD1-CG 3.86Å; L663-F781 HydrophobicContact CD1-CZ 4.41Å; L663-F781 HydrophobicContact CD2-CD2 3.68Å; L663-F781 HydrophobicContact CD2-CE2 3.69Å; L663-F781 HydrophobicContact CD2-CG 4.46Å; L663-F781 HydrophobicContact CD2-CZ 4.46Å; L663-F781 HydrophobicContact CG-CD2 4.47Å; L663-V801 HydrophobicContact CD2-CG2 3.76Å
664	F	93.6	Very high	88.2	Confident	2 Å²	2	51 Å²	51	1%	0.009	26%	0.257	C	S	.	.			trans	-123.3	58.7	-169	-57	-69.7	0	0	0	112.6	E666 L667 V713 H764 I766 L783 F797 V799	F664-E666 PolarHBondContact O-N 3.26Å; F664-L667 HydrophobicContact CB-CB 4.04Å; F664-L667 HydrophobicContact CB-CD2 4.4Å; F664-V713 HydrophobicContact CE2-CG1 3.99Å; F664-V713 HydrophobicContact CE2-CG2 3.68Å; F664-V713 HydrophobicContact CZ-CG1 3.99Å; F664-V713 HydrophobicContact CZ-CG2 3.99Å; F664-H764 PolarHBondContact O-ND1 3.17Å; F664-I766 HydrophobicContact CD2-CB 4.31Å; F664-I766 HydrophobicContact CD2-CD1 4.19Å; F664-I766 HydrophobicContact CE2-CD1 4.12Å; F664-L783 HydrophobicContact CD1-CD2 4.26Å; F664-L783 HydrophobicContact CE1-CB 3.83Å; F664-L783 HydrophobicContact CE1-CD2 4.12Å; F664-L783 HydrophobicContact CZ-CB 3.84Å; F664-L783 HydrophobicContact CZ-CD2 4.44Å; F664-F797 HydrophobicContact CD1-CD1 4.25Å; F664-F797 HydrophobicContact CD1-CE1 4.06Å; F664-F797 HydrophobicContact CE1-CD1 4.14Å; F664-F797 HydrophobicContact CE1-CE1 4.29Å; F664-V799 HydrophobicContact CD1-CG2 3.84Å; F664-V799 HydrophobicContact CE1-CB 4.37Å; F664-V799 HydrophobicContact CE1-CG2 3.56Å
665	P	85.7	Confident	87.2	Confident	51 Å²	51	52.6 Å²	52.6	33%	0.331	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-28.3	-170.1	28.2	-36	0	0	0	114.7	T662 L663	T662-P665 HydrophobicContact CG2-CB 4.18Å; L663-P665 VanDerWaalsContact C-CD 3.42Å; L663-P665 WeakPolarHBondContact O-CD 3.42Å
666	E	89.4	Confident	85.8	Confident	127 Å²	127	60.1 Å²	60.1	59%	0.593	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	28.6	-176	-65.1	-177.3	-157.1	0	0	112	G644 I645 F664 R668	G644-E666 WeakPolarHBondContact CA-O 3.47Å; I645-E666 HydrophobicContact CD1-CB 4.26Å; I645-E666 VanDerWaalsContact CD1-CD 3.45Å; I645-E666 HydrophobicContact CD1-CG 4.05Å; I645-E666 HydrophobicContact CG1-CB 4.27Å; F664-E666 PolarHBondContact O-N 3.26Å; E666-R668 PolarHBondContact O-N 3.2Å
667	L	93.8	Very high	84.1	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.01	30%	0.304	C	S	.	.			trans	-62.6	133.9	175	-179	73.8	0	0	0	111.4	L642 S643 F664 I669 L763 H764 L783 F797	L642-L667 HydrophobicContact CB-CD1 4.41Å; S643-L667 CarbonylContact O-C 3.59Å; S643-L667 WeakPolarHBondContact O-CA 3.46Å; F664-L667 HydrophobicContact CB-CB 4.04Å; F664-L667 HydrophobicContact CB-CD2 4.4Å; L667-I669 HydrophobicContact CD2-CD1 4.4Å; L667-I669 HydrophobicContact CD2-CG1 4.32Å; L667-I669 HydrophobicContact CG-CG1 4.36Å; L667-L763 HydrophobicContact CD2-CB 3.74Å; L667-L763 HydrophobicContact CD2-CD1 3.54Å; L667-L763 HydrophobicContact CD2-CG 4.27Å; L667-H764 PolarHBondContact O-CE1 3.37Å; L667-L783 HydrophobicContact CD1-CD2 3.8Å; L667-L783 HydrophobicContact CD2-CD2 3.51Å; L667-L783 HydrophobicContact CG-CD2 4.33Å; L667-F797 HydrophobicContact CD1-CD1 3.97Å; L667-F797 HydrophobicContact CD1-CE1 4.04Å
668	R	93.6	Very high	82.2	Confident	136 Å²	136	68.8 Å²	68.8	51%	0.513	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.2	170.2	-71.8	-63.7	-164.7	163	3.2	109.9	S643 E666 E760	S643-R668 PolarHBondContact N-O 2.85Å; S643-R668 PolarHBondContact O-N 2.92Å; E666-R668 PolarHBondContact O-N 3.2Å; R668-E760 WeakPolarHBondContact CA-OE1 3.46Å
669	I	93.3	Very high	80.3	Confident	9 Å²	9	63.6 Å²	63.6	5%	0.046	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	113.7	177.1	-50.5	-178.1	0	0	0	107.9	I640 L642 L667 L708 M756 E760 L763	I640-I669 HydrophobicContact CG2-CG2 4.16Å; L642-I669 HydrophobicContact CD2-CB 4.23Å; L642-I669 HydrophobicContact CD2-CD1 4.13Å; L642-I669 HydrophobicContact CD2-CG1 3.65Å; L642-I669 HydrophobicContact CD2-CG2 3.98Å; L667-I669 HydrophobicContact CD2-CD1 4.4Å; L667-I669 HydrophobicContact CD2-CG1 4.32Å; L667-I669 HydrophobicContact CG-CG1 4.36Å; I669-L708 HydrophobicContact CD1-CD1 3.95Å; I669-L708 HydrophobicContact CG2-CD1 4.07Å; I669-M756 HydrophobicContact CB-CB 4.42Å; I669-M756 HydrophobicContact CG2-CB 4.21Å; I669-M756 HydrophobicContact CG2-CG 4.05Å; I669-E760 HydrophobicContact CB-CG 4.07Å; I669-E760 HydrophobicContact CD1-CG 3.96Å; I669-E760 HydrophobicContact CG1-CG 3.72Å; I669-E760 PolarHBondContact N-OE1 3.42Å; I669-L763 HydrophobicContact CD1-CD1 3.92Å
670	V	89.9	Confident	78.3	Confident	43 Å²	43	64.3 Å²	64.3	26%	0.261	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.6	177.1	-175.1	0	0	0	0	108.6	S641 T672 E703	S641-V670 PolarHBondContact N-O 2.88Å; S641-V670 PolarHBondContact O-N 3.4Å; V670-T672 HydrophobicContact CG1-CG2 4.1Å; V670-E703 HydrophobicContact CG1-CG 3.77Å
671	S	88.1	Confident	76.1	Confident	2 Å²	2	69 Å²	69	1%	0.014	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.2	167.7	-171.6	0	0	0	0	108.7	E703 I704 M756	S671-E703 WeakPolarHBondContact O-CA 3.44Å; S671-I704 PolarHBondContact O-N 3.11Å; S671-M756 VanDerWaalsContact CB-CE 3.49Å
672	T	86.8	Confident	73.7	Confident	26 Å²	26	77.4 Å²	77.4	16%	0.16	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.2	177	55.7	0	0	0	0	111.9	K639 V670 E702 E703	K639-T672 PolarHBondContact N-O 2.96Å; K639-T672 PolarHBondContact O-N 3.03Å; V670-T672 HydrophobicContact CG1-CG2 4.1Å; T672-E702 VanDerWaalsContact CA-O 3.24Å; T672-E702 WeakPolarHBondContact CA-O 3.34Å; T672-E703 HydrophobicContact CG2-CG 4.13Å
673	I	82.9	Confident	71.1	Confident	17 Å²	17	81.3 Å²	81.3	9%	0.087	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	139.6	163.3	-86.4	161	0	0	0	107.7	F598 E636 P638 R675 S701 E702 I704	F598-I673 HydrophobicContact CE1-CD1 3.74Å; F598-I673 HydrophobicContact CE1-CG1 4.43Å; F598-I673 HydrophobicContact CZ-CD1 3.88Å; E636-I673 HydrophobicContact CB-CG1 4.45Å; E636-I673 HydrophobicContact CB-CG2 3.66Å; E636-I673 HydrophobicContact CG-CG2 4.37Å; E636-I673 WeakPolarHBondContact OE2-CG2 3.43Å; P638-I673 HydrophobicContact CB-CG1 4.49Å; I673-R675 HydrophobicContact CG2-CG 4.33Å; I673-S701 CarbonylContact O-C 3.41Å; I673-S701 VanDerWaalsContact O-CA 3.28Å; I673-S701 WeakPolarHBondContact O-CA 3.37Å; I673-E702 PolarHBondContact N-O 3.16Å; I673-E702 PolarHBondContact O-N 3.35Å; I673-I704 HydrophobicContact CB-CD1 4.09Å; I673-I704 HydrophobicContact CD1-CD1 3.44Å; I673-I704 VanDerWaalsContact CD1-CD1 3.44Å; I673-I704 HydrophobicContact CD1-CG2 4.33Å; I673-I704 HydrophobicContact CG1-CD1 3.45Å; I673-I704 VanDerWaalsContact CG1-CD1 3.45Å
674	T	76.1	Confident	68.4	Low	79 Å²	79	90.2 Å²	90.2	49%	0.485	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	114	170.7	47.3	0	0	0	0	109.7	V699	T674-V699 HydrophobicContact CG2-CG1 3.93Å
675	R	66.7	Low	65.8	Low	110 Å²	110	95.6 Å²	95.6	42%	0.415	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.6	169.4	-87.3	177.7	168.4	158.9	-3.1	111.6	E636 I673 M677 V700 E702	E636-R675 WeakPolarHBondContact OE1-CA 3.33Å; E636-R675 WeakPolarHBondContact OE1-CG 3.33Å; E636-R675 WeakPolarHBondContact OE2-CG 3.36Å; E636-R675 IonicContact OE2-NE 3.28Å; I673-R675 HydrophobicContact CG2-CG 4.33Å; R675-M677 PolarHBondContact O-N 3.05Å; R675-V700 PolarHBondContact N-O 3.43Å; R675-V700 PolarHBondContact O-N 3.05Å; R675-E702 WeakPolarHBondContact CD-OE1 3.47Å; R675-E702 IonicContact CZ-OE1 3.26Å; R675-E702 IonicContact CZ-OE2 3.21Å; R675-E702 IonicContact NH1-OE1 2.82Å; R675-E702 PolarHBondContact NH1-OE1 2.96Å; R675-E702 IonicContact NH1-OE2 3.52Å; R675-E702 PolarHBondContact NH1-OE2 3.18Å
676	E	59	Low	63.6	Low	158 Å²	158	97.7 Å²	97.7	74%	0.738	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	98.9	163.9	-70.3	176.9	-164.8	0	0	107.9	E678	E676-E678 PolarHBondContact O-N 3.17Å
677	M	51.9	Low	61.2	Low	118 Å²	118	101.2 Å²	101.2	58%	0.581	56%	0.56	S	S	*	*			trans	-79	113.1	169.7	-72.3	-170.4	68	0	0	109.2	R675 A679 V700	R675-M677 PolarHBondContact O-N 3.05Å; M677-A679 PolarHBondContact O-N 3.3Å; M677-A679 VanDerWaalsContact O-N 3.11Å; M677-V700 HydrophobicContact CG-CG2 4.33Å; M677-V700 HydrophobicContact SD-CB 4.44Å; M677-V700 HydrophobicContact SD-CG2 3.8Å
678	E	46.6	Very low	58.7	Low	187 Å²	187	104.5 Å²	104.5	87%	0.874	59%	0.594	S	S	*	*			trans	-58.3	114.9	156.7	-70	-166.7	157.6	0	0	107.6	E676 D680	E676-E678 PolarHBondContact O-N 3.17Å; E678-D680 PolarHBondContact O-N 3.2Å; E678-D680 VanDerWaalsContact O-N 3.07Å
679	A	43.2	Very low	55.9	Low	80 Å²	80	105 Å²	105	66%	0.661	61%	0.612	S	S	*	*			trans	-72.7	103.8	-179.7	0	0	0	0	0	109.6	M677 A681	M677-A679 PolarHBondContact O-N 3.3Å; M677-A679 VanDerWaalsContact O-N 3.11Å; A679-A681 PolarHBondContact O-N 2.94Å
680	D	39.6	Very low	53.6	Low	160 Å²	160	112.5 Å²	112.5	86%	0.856	65%	0.652	S	S	*	*			trans	-49.3	110.1	169.4	-87.7	-38.2	0	0	0	109.8	E678 E682	E678-D680 PolarHBondContact O-N 3.2Å; E678-D680 VanDerWaalsContact O-N 3.07Å; D680-E682 PolarHBondContact O-N 3.49Å
681	A	42.1	Very low	51.2	Low	103 Å²	103	118.3 Å²	118.3	85%	0.851	68%	0.682	S	S	*	*	S	Bend	trans	-78.6	46.5	-170.7	0	0	0	0	0	113.4	A679	A679-A681 PolarHBondContact O-N 2.94Å
682	E	42.9	Very low	48.7	Very low	186 Å²	186	124.1 Å²	124.1	87%	0.869	71%	0.713	S	S	*	*			trans	-133.7	60.3	178.5	-69.4	-157	153.3	0	0	113.6	D680	D680-E682 PolarHBondContact O-N 3.49Å
683	S	35.9	Very low	46.5	Very low	112 Å²	112	128.6 Å²	128.6	78%	0.783	74%	0.742	S	S	*	*	S	Bend	trans	-151	126.3	151.7	54.6	0	0	0	0	115.4
684	E	35.1	Very low	44.5	Very low	187 Å²	187	132.5 Å²	132.5	87%	0.874	77%	0.767	S	S	*	*			trans	63.5	87.2	156.7	-57.1	-166.6	177.9	0	0	119.5	A686	E684-A686 PolarHBondContact O-N 3.25Å
685	A	38.5	Very low	42.7	Very low	115 Å²	115	135 Å²	135	95%	0.95	78%	0.782	S	S	*	*			trans	-64.4	108.5	154	0	0	0	0	0	111
686	A	39.6	Very low	41.5	Very low	94 Å²	94	137.6 Å²	137.6	78%	0.777	80%	0.799	S	S	*	*			trans	-121.7	146.7	165.7	0	0	0	0	0	110.2	E684 G688	E684-A686 PolarHBondContact O-N 3.25Å; A686-G688 PolarHBondContact O-N 3.29Å
687	E	39.8	Very low	40.7	Very low	202 Å²	202	137.2 Å²	137.2	94%	0.944	80%	0.797	S	S	*	*			trans	-75.9	123.9	-158.8	-60.2	174.9	132.8	0	0	115
688	G	41.5	Very low	40.7	Very low	71 Å²	71	135.6 Å²	135.6	73%	0.732	79%	0.794	S	S	*	*			trans	72	98.3	131.1	0	0	0	0	0	120.1	A686	A686-G688 PolarHBondContact O-N 3.29Å
689	T	33.8	Very low	41.1	Very low	147 Å²	147	130.2 Å²	130.2	90%	0.902	77%	0.774	S	S	*	*			trans	-154.3	136.4	136.3	12.6	0	0	0	0	109.4	D691	T689-D691 PolarHBondContact O-N 2.81Å
690	D	45.5	Very low	41.9	Very low	166 Å²	166	129.2 Å²	129.2	89%	0.888	76%	0.759	S	S	*	*			trans	-71.1	115.6	170.8	-71.6	-53.6	0	0	0	109.8
691	D	40	Very low	43.2	Very low	165 Å²	165	125.2 Å²	125.2	88%	0.882	74%	0.743	S	S	*	*			trans	-159.9	143	147	-105.7	-29.7	0	0	0	110.8	T689	T689-D691 PolarHBondContact O-N 2.81Å
692	D	35.1	Very low	44.8	Very low	124 Å²	124	124.1 Å²	124.1	66%	0.663	72%	0.721	S	S	*	*			trans	-0.7	123.2	174.6	-153.8	19.5	0	0	0	120.7	T694	D692-T694 VanDerWaalsContact C-N 3.28Å; D692-T694 PolarHBondContact O-N 3.47Å
693	P	41.3	Very low	46.4	Very low	119 Å²	119	122.7 Å²	122.7	77%	0.773	71%	0.714	S	S	*	*			trans	-81.4	67.4	174	36.1	-35.6	0	0	0	111.9	V695	P693-V695 PolarHBondContact O-N 3.34Å; P693-V695 VanDerWaalsContact O-N 3.15Å
694	T	39.2	Very low	48.3	Very low	99 Å²	99	118.6 Å²	118.6	61%	0.607	68%	0.683	S	S	*	*			trans	-71.2	104.8	156.6	52.4	0	0	0	0	108.1	D692 Q696	D692-T694 VanDerWaalsContact C-N 3.28Å; D692-T694 PolarHBondContact O-N 3.47Å; T694-Q696 VanDerWaalsContact C-N 3.31Å; T694-Q696 PolarHBondContact O-N 3.14Å
695	V	39.5	Very low	50	Low	131 Å²	131	118.7 Å²	118.7	79%	0.794	69%	0.686	S	S	*	*			trans	-61.5	97.5	166.3	-179.5	0	0	0	0	107.3	P693 E697	P693-V695 PolarHBondContact O-N 3.34Å; P693-V695 VanDerWaalsContact O-N 3.15Å; V695-E697 PolarHBondContact O-N 3.47Å; V695-E697 VanDerWaalsContact O-N 3.15Å
696	Q	41.3	Very low	51.7	Low	165 Å²	165	113.7 Å²	113.7	77%	0.771	64%	0.643	S	S	*	*			trans	-75.9	97	167.3	-85.3	-175.6	-46.1	0	0	107.6	T694 T698	T694-Q696 VanDerWaalsContact C-N 3.31Å; T694-Q696 PolarHBondContact O-N 3.14Å; Q696-T698 PolarHBondContact O-N 2.89Å
697	E	43	Very low	53.9	Low	151 Å²	151	111.3 Å²	111.3	71%	0.706	62%	0.617	S	S	*	*			trans	-51.3	108.3	160.4	-71.9	166.1	172	0	0	107.9	V695 V699	V695-E697 PolarHBondContact O-N 3.47Å; V695-E697 VanDerWaalsContact O-N 3.15Å; E697-V699 HydrophobicContact CB-CG2 4.34Å; E697-V699 PolarHBondContact O-N 3.13Å
698	T	50.5	Low	56.2	Low	84 Å²	84	101.7 Å²	101.7	52%	0.515	57%	0.572	S	S	.	*			trans	-78	74.6	176.2	49	0	0	0	0	108.8	Q696 V700	Q696-T698 PolarHBondContact O-N 2.89Å; T698-V700 PolarHBondContact O-N 2.68Å; T698-V700 VanDerWaalsContact O-N 3.11Å
699	V	56.3	Low	58.2	Low	74 Å²	74	98.9 Å²	98.9	45%	0.448	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	110.6	173.3	-178.1	0	0	0	0	108.3	T674 E697	T674-V699 HydrophobicContact CG2-CG1 3.93Å; E697-V699 HydrophobicContact CB-CG2 4.34Å; E697-V699 PolarHBondContact O-N 3.13Å
700	V	60	Low	60.9	Low	58 Å²	58	93 Å²	93	35%	0.352	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	115.4	177.6	-179.9	0	0	0	0	108	R675 M677 T698	R675-V700 PolarHBondContact N-O 3.43Å; R675-V700 PolarHBondContact O-N 3.05Å; M677-V700 HydrophobicContact CG-CG2 4.33Å; M677-V700 HydrophobicContact SD-CB 4.44Å; M677-V700 HydrophobicContact SD-CG2 3.8Å; T698-V700 PolarHBondContact O-N 2.68Å; T698-V700 VanDerWaalsContact O-N 3.11Å
701	S	66.7	Low	63.1	Low	76 Å²	76	85.1 Å²	85.1	53%	0.531	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	111.7	173	60.3	0	0	0	0	110.5	I673	I673-S701 CarbonylContact O-C 3.41Å; I673-S701 VanDerWaalsContact O-CA 3.28Å; I673-S701 WeakPolarHBondContact O-CA 3.37Å
702	E	74.7	Confident	65.6	Low	81 Å²	81	81.9 Å²	81.9	38%	0.379	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	132.8	173.6	-71.1	-178.4	-158.2	0	0	110.4	T672 I673 R675	T672-E702 VanDerWaalsContact CA-O 3.24Å; T672-E702 WeakPolarHBondContact CA-O 3.34Å; I673-E702 PolarHBondContact N-O 3.16Å; I673-E702 PolarHBondContact O-N 3.35Å; R675-E702 WeakPolarHBondContact CD-OE1 3.47Å; R675-E702 IonicContact CZ-OE1 3.26Å; R675-E702 IonicContact CZ-OE2 3.21Å; R675-E702 IonicContact NH1-OE1 2.82Å; R675-E702 PolarHBondContact NH1-OE1 2.96Å; R675-E702 IonicContact NH1-OE2 3.52Å; R675-E702 PolarHBondContact NH1-OE2 3.18Å
703	E	77.1	Confident	68.4	Low	156 Å²	156	76 Å²	76	73%	0.729	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	134.7	170.1	-71.2	-172.8	179.2	0	0	110.8	V670 S671 T672	V670-E703 HydrophobicContact CG1-CG 3.77Å; S671-E703 WeakPolarHBondContact O-CA 3.44Å; T672-E703 HydrophobicContact CG2-CG 4.13Å
704	I	76.8	Confident	70.9	Confident	26 Å²	26	71.6 Å²	71.6	13%	0.133	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138.2	-174	59.7	-163.4	0	0	0	110.9	P638 S671 I673 H706	P638-I704 HydrophobicContact CB-CD1 3.91Å; S671-I704 PolarHBondContact O-N 3.11Å; I673-I704 HydrophobicContact CB-CD1 4.09Å; I673-I704 HydrophobicContact CD1-CD1 3.44Å; I673-I704 VanDerWaalsContact CD1-CD1 3.44Å; I673-I704 HydrophobicContact CD1-CG2 4.33Å; I673-I704 HydrophobicContact CG1-CD1 3.45Å; I673-I704 VanDerWaalsContact CG1-CD1 3.45Å; I704-H706 WeakPolarHBondContact CD1-CE1 3.21Å; I704-H706 VanDerWaalsContact CD1-NE2 3.33Å; I704-H706 WeakPolarHBondContact CD1-NE2 3.27Å; I704-H706 VanDerWaalsContact CG1-NE2 3.3Å; I704-H706 WeakPolarHBondContact CG1-NE2 3.46Å
705	M	69.4	Low	73.4	Confident	188 Å²	188	67.9 Å²	67.9	93%	0.926	36%	0.361	S	S	*	.			trans	-96.8	104.8	-178.4	-67.9	-142.6	-55.1	0	0	111.5
706	H	74.6	Confident	75.8	Confident	10 Å²	10	64.7 Å²	64.7	5%	0.046	34%	0.341	C	S	.	.			trans	-115.1	-179.7	176.1	-48.4	166.2	0	0	0	113.4	Q597 F598 I704 M756 E787	Q597-H706 PolarHBondContact NE2-NE2 3.26Å; F598-H706 AromaticContact CE2-CE1 3.36Å; F598-H706 WeakPolarHBondContact CE2-CE1 3.4Å; F598-H706 AromaticContact CE2-NE2 3.67Å; F598-H706 AromaticContact CZ-CE1 3.35Å; F598-H706 WeakPolarHBondContact CZ-CE1 3.45Å; F598-H706 AromaticContact CZ-NE2 3.67Å; I704-H706 WeakPolarHBondContact CD1-CE1 3.21Å; I704-H706 VanDerWaalsContact CD1-NE2 3.33Å; I704-H706 WeakPolarHBondContact CD1-NE2 3.27Å; I704-H706 VanDerWaalsContact CG1-NE2 3.3Å; I704-H706 WeakPolarHBondContact CG1-NE2 3.46Å; H706-M756 HydrophobicContact CB-CE 3.72Å; H706-M756 PolarHBondContact O-N 3.07Å; H706-E787 WeakPolarHBondContact CB-OE1 3.47Å; H706-E787 WeakPolarHBondContact CB-OE2 3.45Å; H706-E787 IonicContact CE1-OE1 3.71Å; H706-E787 IonicContact CE1-OE2 3.45Å; H706-E787 IonicContact CG-OE1 2.72Å; H706-E787 IonicContact CG-OE2 3.75Å; H706-E787 VanDerWaalsContact ND1-CD 3.29Å; H706-E787 IonicContact ND1-OE1 3.7Å; H706-E787 PolarHBondContact ND1-OE1 3.49Å; H706-E787 IonicContact ND1-OE2 2.77Å; H706-E787 PolarHBondContact ND1-OE2 2.86Å
707	N	85.5	Confident	78	Confident	44 Å²	44	60 Å²	60	24%	0.235	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.1	173.9	-58.8	-49.7	0	0	0	110.3	V753 N754 T755 E787	N707-V753 HydrophobicContact CB-CG1 3.55Å; N707-N754 CarbonylContact C-O 3.51Å; N707-N754 WeakPolarHBondContact CA-O 3.45Å; N707-N754 WeakPolarHBondContact CB-O 3.4Å; N707-T755 WeakPolarHBondContact OD1-CA 3.21Å; N707-T755 WeakPolarHBondContact OD1-CG2 3.06Å; N707-T755 PolarHBondContact OD1-N 3.41Å; N707-E787 WeakPolarHBondContact O-CG 3.45Å
708	L	88.5	Confident	80.1	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	152.2	169.6	-59.6	173.7	0	0	0	110.1	I640 I669 V753 N754 M756 Y759 C785 S786	I640-L708 HydrophobicContact CD1-CD2 3.92Å; I640-L708 HydrophobicContact CG2-CD2 4.27Å; I669-L708 HydrophobicContact CD1-CD1 3.95Å; I669-L708 HydrophobicContact CG2-CD1 4.07Å; L708-V753 VanDerWaalsContact O-CA 3.26Å; L708-V753 WeakPolarHBondContact O-CA 3.38Å; L708-N754 PolarHBondContact N-O 2.97Å; L708-N754 PolarHBondContact O-N 3.16Å; L708-M756 HydrophobicContact CD1-CG 4.08Å; L708-M756 HydrophobicContact CD2-CE 3.88Å; L708-M756 HydrophobicContact CD2-CG 4.24Å; L708-M756 HydrophobicContact CG-CE 4.36Å; L708-M756 HydrophobicContact CG-CG 3.78Å; L708-Y759 HydrophobicContact CB-CD2 3.8Å; L708-Y759 HydrophobicContact CB-CE2 3.8Å; L708-Y759 HydrophobicContact CB-CG 4.31Å; L708-Y759 HydrophobicContact CD1-CD2 4.2Å; L708-Y759 HydrophobicContact CD1-CG 3.99Å; L708-Y759 HydrophobicContact CG-CD2 4.49Å; L708-Y759 WeakPolarHBondContact O-CE2 3.35Å; L708-C785 HydrophobicContact CD1-CB 3.97Å; L708-C785 HydrophobicContact CD2-CB 4.36Å; L708-S786 WeakPolarHBondContact CA-O 3.37Å; L708-S786 WeakPolarHBondContact CB-O 3.39Å; L708-S786 WeakPolarHBondContact CD2-O 3.43Å
709	D	84.6	Confident	81.9	Confident	13 Å²	13	60.9 Å²	60.9	7%	0.07	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-27.8	177.3	55.5	32.9	0	0	0	114	G752 V753 Y759 S786 E787 L788 N789 G790	D709-G752 PolarHBondContact O-N 2.66Å; D709-V753 HydrophobicContact CB-CG2 3.91Å; D709-Y759 VanDerWaalsContact C-OH 3.26Å; D709-Y759 PolarHBondContact O-OH 3.21Å; D709-Y759 VanDerWaalsContact O-OH 3.13Å; D709-S786 PolarHBondContact N-O 3.22Å; D709-S786 WeakPolarHBondContact OD1-CB 3.22Å; D709-S786 PolarHBondContact OD1-OG 3.38Å; D709-E787 VanDerWaalsContact OD2-CA 3.32Å; D709-E787 WeakPolarHBondContact OD2-CA 3.32Å; D709-L788 PolarHBondContact OD2-N 2.87Å; D709-N789 WeakPolarHBondContact OD2-CA 3.48Å; D709-N789 PolarHBondContact OD2-N 2.87Å; D709-G790 PolarHBondContact OD2-N 2.87Å
710	S	88.7	Confident	83.4	Confident	23 Å²	23	57.9 Å²	57.9	16%	0.161	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	148.6	-175.8	-170.3	0	0	0	0	110.8	I750 Y759 C785 S786	S710-I750 CarbonylContact C-O 3.55Å; S710-I750 VanDerWaalsContact CA-O 3.25Å; S710-I750 WeakPolarHBondContact CA-O 3.2Å; S710-I750 PolarHBondContact OG-O 3.26Å; S710-Y759 PolarHBondContact N-OH 2.88Å; S710-C785 CarbonylContact O-C 3.55Å; S710-C785 WeakPolarHBondContact O-CA 3.39Å; S710-S786 WeakPolarHBondContact CB-OG 3.31Å; S710-S786 PolarHBondContact O-N 3.45Å
711	C	93.1	Very high	84.7	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.007	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	125.2	162.1	-68.5	0	0	0	0	109.3	I750 Y759 L763 L783 V784 C785	C711-I750 PolarHBondContact N-O 3.25Å; C711-I750 PolarHBondContact O-N 2.95Å; C711-Y759 HydrophobicContact CB-CD1 4.02Å; C711-Y759 HydrophobicContact CB-CE1 4.04Å; C711-Y759 WeakPolarHBondContact SG-CD1 3.48Å; C711-L763 HydrophobicContact CB-CD1 4.36Å; C711-L763 HydrophobicContact CB-CD2 4.2Å; C711-L783 HydrophobicContact CB-CD1 4.13Å; C711-V784 CarbonylContact C-O 3.48Å; C711-V784 VanDerWaalsContact CA-O 3.3Å; C711-V784 WeakPolarHBondContact CA-O 3.32Å; C711-C785 HydrophobicContact CB-CB 4.17Å; C711-C785 WeakPolarHBondContact CB-SG 3.25Å; C711-C785 WeakPolarHBondContact SG-CB 3.32Å; C711-C785 CovalentContact SG-SG 2.04Å; C711-C785 PolarHBondContact SG-SG 2.96Å
712	E	92.3	Very high	85.4	Confident	96 Å²	96	58 Å²	58	45%	0.449	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.2	177.7	175.6	170	-166.1	0	0	110.3	L748 V749 L783 V784	E712-L748 WeakPolarHBondContact CA-O 3.41Å; E712-V749 HydrophobicContact CB-CG1 4.49Å; E712-V749 HydrophobicContact CB-CG2 4.44Å; E712-V749 HydrophobicContact CG-CG2 4.13Å; E712-L783 CarbonylContact O-C 3.51Å; E712-L783 WeakPolarHBondContact O-CA 3.42Å; E712-V784 PolarHBondContact N-O 3.13Å; E712-V784 PolarHBondContact O-N 2.89Å
713	V	94.3	Very high	85.7	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.006	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	99.2	169.2	178.9	0	0	0	0	107.7	F664 L727 G747 L748 L763 I766 F781 K782 L783	F664-V713 HydrophobicContact CE2-CG1 3.99Å; F664-V713 HydrophobicContact CE2-CG2 3.68Å; F664-V713 HydrophobicContact CZ-CG1 3.99Å; F664-V713 HydrophobicContact CZ-CG2 3.99Å; V713-L727 HydrophobicContact CG1-CD1 4.46Å; V713-G747 CarbonylContact O-C 3.28Å; V713-G747 WeakPolarHBondContact O-CA 3.44Å; V713-L748 HydrophobicContact CB-CB 4.34Å; V713-L748 PolarHBondContact N-O 3.3Å; V713-L748 PolarHBondContact O-N 3Å; V713-L763 HydrophobicContact CG2-CD2 4.45Å; V713-I766 HydrophobicContact CG2-CD1 3.79Å; V713-F781 HydrophobicContact CG1-CB 4.34Å; V713-F781 HydrophobicContact CG1-CD1 4.48Å; V713-K782 CarbonylContact C-O 3.6Å; V713-K782 WeakPolarHBondContact CA-O 3.45Å; V713-L783 HydrophobicContact CG2-CB 4.48Å; V713-L783 HydrophobicContact CG2-CD1 3.65Å
714	S	92.8	Very high	86.1	Confident	27 Å²	27	57.6 Å²	57.6	19%	0.189	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	149.7	178.5	49.9	0	0	0	0	111.5	F781 K782	S714-F781 CarbonylContact O-C 3.55Å; S714-F781 WeakPolarHBondContact O-CA 3.4Å; S714-K782 PolarHBondContact N-O 3.45Å; S714-K782 PolarHBondContact O-N 3.19Å; S714-K782 PolarHBondContact OG-O 3.4Å
715	V	92	Very high	86.8	Confident	21 Å²	21	57.1 Å²	57.1	13%	0.127	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	134.8	177.2	180	0	0	0	0	109	D718 L720 L746 F781	V715-D718 WeakPolarHBondContact CG1-O 3.31Å; V715-L720 HydrophobicContact CG1-CD2 4.48Å; V715-L720 HydrophobicContact CG2-CD1 3.82Å; V715-L720 HydrophobicContact CG2-CD2 3.88Å; V715-L720 HydrophobicContact CG2-CG 3.59Å; V715-L746 PolarHBondContact N-O 3.3Å; V715-F781 HydrophobicContact CG2-CD1 4.11Å; V715-F781 HydrophobicContact CG2-CE1 3.96Å
716	V	90.3	Very high	87.8	Confident	63 Å²	63	49.2 Å²	49.2	38%	0.382	29%	0.287	S	S	.	.	S	Bend	trans	-103.7	103.3	-177.7	-178.5	0	0	0	0	109.5	K780 K782	V716-K780 HydrophobicContact CB-CB 3.94Å; V716-K780 HydrophobicContact CG1-CB 4.49Å; V716-K780 PolarHBondContact N-O 3.41Å; V716-K782 HydrophobicContact CG2-CB 3.65Å
717	G	87.6	Confident	88.6	Confident	68 Å²	68	49.7 Å²	49.7	70%	0.701	29%	0.29	S	S	*	.	S	Bend	trans	127.4	-140.2	-177.2	0	0	0	0	0	110.8
718	D	86.8	Confident	88.7	Confident	138 Å²	138	51.3 Å²	51.3	74%	0.738	30%	0.296	S	S	*	.	S	Bend	trans	-67.1	150.1	172.9	-57.5	-51.8	0	0	0	111.3	V715 R779	V715-D718 WeakPolarHBondContact CG1-O 3.31Å; D718-R779 PolarHBondContact O-NH1 2.82Å; D718-R779 PolarHBondContact O-NH2 3.37Å; D718-R779 VanDerWaalsContact O-NH2 3.16Å
719	E	88.8	Confident	88.7	Confident	115 Å²	115	52.1 Å²	52.1	54%	0.537	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-57.4	161.8	177.5	-54.3	-169.9	179.6	0	0	112.2	D721 N745 L746 R779	E719-D721 PolarHBondContact O-N 3.37Å; E719-N745 HydrophobicContact CB-CB 4.24Å; E719-L746 HydrophobicContact CG-CD2 3.85Å; E719-R779 PolarHBondContact O-NH2 3.4Å
720	L	87.3	Confident	88.7	Confident	10 Å²	10	55.2 Å²	55.2	5%	0.052	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-65.7	124.7	170.4	-63.6	167.7	0	0	0	109.5	V715 G722 E725 L727 N745 Y768 F781	V715-L720 HydrophobicContact CG1-CD2 4.48Å; V715-L720 HydrophobicContact CG2-CD1 3.82Å; V715-L720 HydrophobicContact CG2-CD2 3.88Å; V715-L720 HydrophobicContact CG2-CG 3.59Å; L720-G722 PolarHBondContact O-N 2.94Å; L720-E725 HydrophobicContact CB-CB 4.44Å; L720-E725 HydrophobicContact CD2-CB 4.04Å; L720-E725 WeakPolarHBondContact CD2-OE2 3.43Å; L720-L727 HydrophobicContact CD1-CD1 3.9Å; L720-L727 HydrophobicContact CD1-CG 3.9Å; L720-N745 WeakPolarHBondContact CB-O 3.48Å; L720-N745 WeakPolarHBondContact CG-O 3.26Å; L720-N745 PolarHBondContact N-O 2.86Å; L720-Y768 HydrophobicContact CD2-CE2 4.31Å; L720-F781 HydrophobicContact CD2-CE1 4.41Å
721	D	86.3	Confident	88.4	Confident	76 Å²	76	57.4 Å²	57.4	41%	0.406	33%	0.33	S	S	.	.			trans	-75.3	103.3	169.3	-178.4	-8.9	0	0	0	108.9	E719 E723 H724 E725	E719-D721 PolarHBondContact O-N 3.37Å; D721-E723 PolarHBondContact O-N 2.91Å; D721-E723 PolarHBondContact OD1-N 3.37Å; D721-H724 HydrophobicContact CB-CB 4.45Å; D721-H724 CarbonylContact O-C 3.49Å; D721-H724 PolarHBondContact O-N 2.97Å; D721-H724 IonicContact OD1-ND1 2.78Å; D721-H724 IonicContact OD2-CE1 2.78Å; D721-H724 IonicContact OD2-CG 3.96Å; D721-H724 IonicContact OD2-ND1 3.84Å; D721-H724 PolarHBondContact OD2-ND1 3.39Å; D721-E725 PolarHBondContact O-N 2.92Å
722	G	81.5	Confident	87.9	Confident	60 Å²	60	59.9 Å²	59.9	62%	0.619	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-7.8	-177.4	0	0	0	0	0	115.8	L720	L720-G722 PolarHBondContact O-N 2.94Å
723	E	82.3	Confident	87.4	Confident	164 Å²	164	58.1 Å²	58.1	77%	0.766	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-22.7	169	-61.8	-163.8	160.3	0	0	112.7	D721	D721-E723 PolarHBondContact O-N 2.91Å; D721-E723 PolarHBondContact OD1-N 3.37Å
724	H	85.6	Confident	86.9	Confident	65 Å²	65	58.1 Å²	58.1	30%	0.301	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-21	-170.5	-61	112.3	0	0	0	114.8	D721 N770 W771 H772	D721-H724 HydrophobicContact CB-CB 4.45Å; D721-H724 CarbonylContact O-C 3.49Å; D721-H724 PolarHBondContact O-N 2.97Å; D721-H724 IonicContact OD1-ND1 2.78Å; D721-H724 IonicContact OD2-CE1 2.78Å; D721-H724 IonicContact OD2-CG 3.96Å; D721-H724 IonicContact OD2-ND1 3.84Å; D721-H724 PolarHBondContact OD2-ND1 3.39Å; H724-N770 CarbonylContact O-C 3.46Å; H724-N770 WeakPolarHBondContact O-CA 3.31Å; H724-W771 PolarHBondContact O-N 3.41Å; H724-H772 HydrophobicContact CB-CB 4.48Å
725	E	90.7	Very high	86.2	Confident	16 Å²	16	63.5 Å²	63.5	8%	0.075	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.6	-172.4	-59.7	-165	139.1	0	0	112.5	L720 D721 Y768 K769 N770 R779	L720-E725 HydrophobicContact CB-CB 4.44Å; L720-E725 HydrophobicContact CD2-CB 4.04Å; L720-E725 WeakPolarHBondContact CD2-OE2 3.43Å; D721-E725 PolarHBondContact O-N 2.92Å; E725-Y768 HydrophobicContact CB-CE2 4.22Å; E725-Y768 HydrophobicContact CG-CE2 4.4Å; E725-Y768 PolarHBondContact OE1-OH 3.33Å; E725-K769 WeakPolarHBondContact CA-O 3.42Å; E725-N770 HydrophobicContact CG-CB 4.34Å; E725-N770 WeakPolarHBondContact CG-ND2 3.5Å; E725-N770 PolarHBondContact OE1-ND2 2.92Å; E725-R779 IonicContact OE1-NE 3.55Å; E725-R779 PolarHBondContact OE1-NE 2.77Å; E725-R779 IonicContact OE2-CZ 3.63Å; E725-R779 VanDerWaalsContact OE2-CZ 3.25Å; E725-R779 IonicContact OE2-NE 3.67Å; E725-R779 PolarHBondContact OE2-NE 2.98Å; E725-R779 IonicContact OE2-NH2 3.89Å; E725-R779 PolarHBondContact OE2-NH2 3.01Å
726	S	90.1	Very high	85.6	Confident	23 Å²	23	69.1 Å²	69.1	16%	0.161	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	152.7	170.9	76.2	0	0	0	0	113.3	E728 Y768 K769 W771	S726-E728 PolarHBondContact OG-OE1 2.86Å; S726-Y768 WeakPolarHBondContact O-CA 3.47Å; S726-Y768 WeakPolarHBondContact O-CD2 3.47Å; S726-K769 PolarHBondContact N-O 3.2Å; S726-K769 PolarHBondContact O-N 3.48Å; S726-W771 WeakPolarHBondContact OG-CH2 3.14Å
727	L	91.4	Very high	85.2	Confident	19 Å²	19	69.1 Å²	69.1	10%	0.099	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.7	162	-68.9	176.2	0	0	0	108.5	L663 V713 L720 I766 R767 Y768 F781	L663-L727 HydrophobicContact CD1-CD2 3.62Å; V713-L727 HydrophobicContact CG1-CD1 4.46Å; L720-L727 HydrophobicContact CD1-CD1 3.9Å; L720-L727 HydrophobicContact CD1-CG 3.9Å; L727-I766 HydrophobicContact CD2-CG2 4.43Å; L727-R767 WeakPolarHBondContact CA-O 3.4Å; L727-Y768 HydrophobicContact CD2-CD2 4.05Å; L727-Y768 HydrophobicContact CD2-CG 4.42Å; L727-F781 HydrophobicContact CD1-CD1 4.35Å; L727-F781 HydrophobicContact CD1-CE1 4.12Å; L727-F781 HydrophobicContact CD2-CD1 4.39Å; L727-F781 HydrophobicContact CD2-CE1 3.83Å; L727-F781 HydrophobicContact CD2-CZ 4.25Å; L727-F781 HydrophobicContact CG-CE1 4.32Å
728	E	88.6	Confident	84.7	Confident	78 Å²	78	68.2 Å²	68.2	36%	0.364	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.7	-174.9	-74.1	175.9	-149.4	0	0	111.9	S726 R767 K769	S726-E728 PolarHBondContact OG-OE1 2.86Å; E728-R767 PolarHBondContact N-O 3.14Å; E728-R767 PolarHBondContact O-N 3.45Å; E728-K769 WeakPolarHBondContact OE1-CD 3.37Å; E728-K769 IonicContact OE1-NZ 2.77Å; E728-K769 IonicContact OE2-NZ 2.63Å; E728-K769 PolarHBondContact OE2-NZ 3.44Å
729	V	88.7	Confident	84.6	Confident	18 Å²	18	61.8 Å²	61.8	11%	0.109	33%	0.33	C	S	.	.			trans	-140.6	144	174.1	-165.7	0	0	0	0	108.5	V731 L734 M741 L748 L765 I766	V729-V731 PolarHBondContact O-N 2.96Å; V729-L734 HydrophobicContact CB-CD1 4.1Å; V729-L734 HydrophobicContact CG1-CD1 3.77Å; V729-L734 HydrophobicContact CG1-CG 4.31Å; V729-M741 HydrophobicContact CB-SD 3.72Å; V729-M741 HydrophobicContact CG2-SD 3.77Å; V729-L748 HydrophobicContact CG2-CD2 3.52Å; V729-L765 HydrophobicContact CG1-CB 4.37Å; V729-I766 HydrophobicContact CG2-CB 4.39Å; V729-I766 HydrophobicContact CG2-CG1 3.78Å
730	D	84.6	Confident	84.3	Confident	78 Å²	78	61.1 Å²	61.1	42%	0.417	33%	0.327	S	S	.	.			trans	-69.4	101.8	173.6	-176	-6.4	0	0	0	110.9	S732 Q733 L734	D730-S732 PolarHBondContact O-N 3.12Å; D730-S732 VanDerWaalsContact O-N 3.14Å; D730-S732 WeakPolarHBondContact OD1-CA 3.37Å; D730-S732 VanDerWaalsContact OD1-CB 3.23Å; D730-S732 WeakPolarHBondContact OD1-CB 3.46Å; D730-S732 PolarHBondContact OD1-N 3.46Å; D730-S732 PolarHBondContact OD1-OG 2.71Å; D730-S732 PolarHBondContact OD2-OG 2.96Å; D730-S732 VanDerWaalsContact OD2-OG 3.12Å; D730-Q733 HydrophobicContact CB-CB 4.4Å; D730-Q733 HydrophobicContact CB-CG 3.94Å; D730-Q733 WeakPolarHBondContact O-CB 3.19Å; D730-Q733 PolarHBondContact O-N 3.38Å; D730-Q733 WeakPolarHBondContact OD2-CG 3.34Å; D730-L734 PolarHBondContact O-N 2.88Å
731	V	82.1	Confident	84.2	Confident	69 Å²	69	63.3 Å²	63.3	42%	0.418	34%	0.338	S	S	.	.	H	α-helix	trans	-57.1	-26.6	177.5	-177	0	0	0	0	112.2	V729 L734 Q735 M741	V729-V731 PolarHBondContact O-N 2.96Å; V731-L734 PolarHBondContact O-N 3.25Å; V731-Q735 HydrophobicContact CG1-CG 4.25Å; V731-Q735 WeakPolarHBondContact O-CB 3.41Å; V731-Q735 VanDerWaalsContact O-CG 3.31Å; V731-Q735 WeakPolarHBondContact O-CG 3.4Å; V731-Q735 PolarHBondContact O-N 3.05Å; V731-M741 HydrophobicContact CG2-CE 3.96Å
732	S	82.4	Confident	84	Confident	52 Å²	52	61.3 Å²	61.3	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-70.4	-31.8	177.2	80.3	0	0	0	0	112.8	D730 Q736	D730-S732 PolarHBondContact O-N 3.12Å; D730-S732 VanDerWaalsContact O-N 3.14Å; D730-S732 WeakPolarHBondContact OD1-CA 3.37Å; D730-S732 VanDerWaalsContact OD1-CB 3.23Å; D730-S732 WeakPolarHBondContact OD1-CB 3.46Å; D730-S732 PolarHBondContact OD1-N 3.46Å; D730-S732 PolarHBondContact OD1-OG 2.71Å; D730-S732 PolarHBondContact OD2-OG 2.96Å; D730-S732 VanDerWaalsContact OD2-OG 3.12Å; S732-Q736 WeakPolarHBondContact O-CB 3.4Å; S732-Q736 VanDerWaalsContact O-CG 3.23Å; S732-Q736 WeakPolarHBondContact O-CG 3.28Å; S732-Q736 PolarHBondContact O-N 3.07Å; S732-Q736 VanDerWaalsContact O-N 3.13Å; S732-Q736 PolarHBondContact O-NE2 3.35Å; S732-Q736 VanDerWaalsContact O-NE2 3.11Å
733	Q	82.6	Confident	84.1	Confident	60 Å²	60	62.6 Å²	62.6	28%	0.28	33%	0.329	S	S	.	.	H	α-helix	trans	-73.7	-37.9	175.3	-62.8	-66.1	-34.9	0	0	111.4	D730 R737 L765	D730-Q733 HydrophobicContact CB-CB 4.4Å; D730-Q733 HydrophobicContact CB-CG 3.94Å; D730-Q733 WeakPolarHBondContact O-CB 3.19Å; D730-Q733 PolarHBondContact O-N 3.38Å; D730-Q733 WeakPolarHBondContact OD2-CG 3.34Å; Q733-R737 PolarHBondContact O-N 3.07Å; Q733-L765 HydrophobicContact CB-CD1 4Å; Q733-L765 HydrophobicContact CG-CD1 4.05Å
734	L	82.5	Confident	84.2	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-51	172.8	-77.8	157.2	0	0	0	111.3	V729 D730 V731 Q736 R737 A738 L739 M741 I750 V762	V729-L734 HydrophobicContact CB-CD1 4.1Å; V729-L734 HydrophobicContact CG1-CD1 3.77Å; V729-L734 HydrophobicContact CG1-CG 4.31Å; D730-L734 PolarHBondContact O-N 2.88Å; V731-L734 PolarHBondContact O-N 3.25Å; L734-Q736 PolarHBondContact O-N 2.82Å; L734-R737 CarbonylContact O-C 3.55Å; L734-R737 WeakPolarHBondContact O-CA 3.44Å; L734-R737 PolarHBondContact O-N 2.9Å; L734-A738 PolarHBondContact O-N 2.95Å; L734-L739 CarbonylContact C-O 3.58Å; L734-L739 HydrophobicContact CD2-CB 3.79Å; L734-L739 HydrophobicContact CD2-CD1 4.47Å; L734-L739 PolarHBondContact O-N 3Å; L734-M741 HydrophobicContact CD1-CB 3.81Å; L734-M741 HydrophobicContact CD1-CE 4.49Å; L734-M741 HydrophobicContact CD1-CG 4.22Å; L734-M741 HydrophobicContact CD1-SD 3.5Å; L734-M741 WeakPolarHBondContact CD1-SD 3.37Å; L734-I750 HydrophobicContact CD2-CG1 4.39Å; L734-I750 HydrophobicContact CD2-CG2 3.86Å; L734-V762 HydrophobicContact CD2-CG1 3.47Å; L734-V762 VanDerWaalsContact CD2-CG1 3.47Å; L734-V762 HydrophobicContact CD2-CG2 4.41Å; L734-V762 HydrophobicContact CG-CG1 4.19Å
735	Q	77.8	Confident	84.2	Confident	140 Å²	140	58.1 Å²	58.1	65%	0.654	32%	0.317	S	S	*	.	H	α-helix	trans	-62.9	-37.8	179.8	-74.2	178.5	-1.6	0	0	112.9	V731 R737 A738	V731-Q735 HydrophobicContact CG1-CG 4.25Å; V731-Q735 WeakPolarHBondContact O-CB 3.41Å; V731-Q735 VanDerWaalsContact O-CG 3.31Å; V731-Q735 WeakPolarHBondContact O-CG 3.4Å; V731-Q735 PolarHBondContact O-N 3.05Å; Q735-R737 PolarHBondContact O-N 3.11Å; Q735-A738 PolarHBondContact O-N 2.8Å
736	Q	80.5	Confident	84	Confident	139 Å²	139	62.4 Å²	62.4	65%	0.65	34%	0.339	S	S	*	.	H	α-helix	trans	-59.6	-27.4	173.4	-79.2	170.7	58.4	0	0	113.1	S732 L734	S732-Q736 WeakPolarHBondContact O-CB 3.4Å; S732-Q736 VanDerWaalsContact O-CG 3.23Å; S732-Q736 WeakPolarHBondContact O-CG 3.28Å; S732-Q736 PolarHBondContact O-N 3.07Å; S732-Q736 VanDerWaalsContact O-N 3.13Å; S732-Q736 PolarHBondContact O-NE2 3.35Å; S732-Q736 VanDerWaalsContact O-NE2 3.11Å; L734-Q736 PolarHBondContact O-N 2.82Å
737	R	80.9	Confident	83.8	Confident	63 Å²	63	61.5 Å²	61.5	24%	0.238	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	8.4	178.5	-62.2	174.5	-169.6	-101.9	9	112.8	Q733 L734 Q735 L739 N754 N758	Q733-R737 PolarHBondContact O-N 3.07Å; L734-R737 CarbonylContact O-C 3.55Å; L734-R737 WeakPolarHBondContact O-CA 3.44Å; L734-R737 PolarHBondContact O-N 2.9Å; Q735-R737 PolarHBondContact O-N 3.11Å; R737-L739 HydrophobicContact CB-CD1 4.3Å; R737-L739 HydrophobicContact CB-CG 4.39Å; R737-L739 PolarHBondContact O-N 3.01Å; R737-N754 PolarHBondContact O-ND2 2.92Å; R737-N758 PolarHBondContact NH1-OD1 2.92Å
738	A	78.1	Confident	83.8	Confident	48 Å²	48	60.7 Å²	60.7	40%	0.397	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	41.8	-174.7	0	0	0	0	0	112.6	K313 L734 Q735	K313-A738 PolarHBondContact NZ-O 3.1Å; L734-A738 PolarHBondContact O-N 2.95Å; Q735-A738 PolarHBondContact O-N 2.8Å
739	L	84.4	Confident	83.7	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.021	32%	0.321	C	S	.	.			trans	-104.5	144.7	169.9	-69.7	172.4	0	0	0	109.1	L734 R737 I750 G752 N754 Y759 V762	L734-L739 CarbonylContact C-O 3.58Å; L734-L739 HydrophobicContact CD2-CB 3.79Å; L734-L739 HydrophobicContact CD2-CD1 4.47Å; L734-L739 PolarHBondContact O-N 3Å; R737-L739 HydrophobicContact CB-CD1 4.3Å; R737-L739 HydrophobicContact CB-CG 4.39Å; R737-L739 PolarHBondContact O-N 3.01Å; L739-I750 HydrophobicContact CB-CG2 4.31Å; L739-I750 HydrophobicContact CD1-CG2 4.4Å; L739-G752 WeakPolarHBondContact CD2-O 3.32Å; L739-N754 HydrophobicContact CD2-CB 3.99Å; L739-Y759 HydrophobicContact CD2-CE1 4.45Å; L739-Y759 HydrophobicContact CD2-CE2 3.88Å; L739-V762 HydrophobicContact CD1-CG2 3.99Å
740	E	81.7	Confident	83.8	Confident	100 Å²	100	57.5 Å²	57.5	47%	0.467	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	159.6	175.7	-70	175.9	-153.6	0	0	109.9	K309 I750 T751	K309-E740 WeakPolarHBondContact CE-OE1 3.25Å; K309-E740 IonicContact NZ-OE1 3.81Å; K309-E740 PolarHBondContact NZ-OE1 3.12Å; K309-E740 IonicContact NZ-OE2 2.7Å; K309-E740 PolarHBondContact NZ-OE2 2.86Å; E740-I750 CarbonylContact O-C 3.56Å; E740-I750 WeakPolarHBondContact O-CA 3.42Å; E740-T751 PolarHBondContact N-O 2.64Å; E740-T751 PolarHBondContact O-N 3.05Å
741	M	84.8	Confident	83.8	Confident	57 Å²	57	56.3 Å²	56.3	28%	0.281	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	131.6	-175.4	-177.6	-171	83.7	0	0	109.9	V729 V731 L734 L748 V749 I750	V729-M741 HydrophobicContact CB-SD 3.72Å; V729-M741 HydrophobicContact CG2-SD 3.77Å; V731-M741 HydrophobicContact CG2-CE 3.96Å; L734-M741 HydrophobicContact CD1-CB 3.81Å; L734-M741 HydrophobicContact CD1-CE 4.49Å; L734-M741 HydrophobicContact CD1-CG 4.22Å; L734-M741 HydrophobicContact CD1-SD 3.5Å; L734-M741 WeakPolarHBondContact CD1-SD 3.37Å; M741-L748 HydrophobicContact CE-CD1 4.2Å; M741-L748 HydrophobicContact CG-CD1 3.75Å; M741-L748 HydrophobicContact CG-CD2 4.13Å; M741-L748 HydrophobicContact CG-CG 3.9Å; M741-L748 HydrophobicContact SD-CD1 3.67Å; M741-L748 HydrophobicContact SD-CD2 3.92Å; M741-L748 HydrophobicContact SD-CG 4.12Å; M741-V749 CarbonylContact C-O 3.56Å; M741-V749 WeakPolarHBondContact CA-O 3.35Å; M741-I750 HydrophobicContact CB-CG1 4.48Å; M741-I750 HydrophobicContact CG-CG1 4.17Å
742	S	82.8	Confident	83.8	Confident	34 Å²	34	53.9 Å²	53.9	24%	0.238	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.3	165.2	52.8	0	0	0	0	109.8	V749	S742-V749 PolarHBondContact N-O 2.94Å; S742-V749 PolarHBondContact O-N 2.8Å
743	S	84.2	Confident	84	Confident	86 Å²	86	51.6 Å²	51.6	60%	0.601	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	147.7	176.2	55.5	0	0	0	0	110.6
744	S	84.6	Confident	84.3	Confident	52 Å²	52	49.9 Å²	49.9	36%	0.364	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	170.7	177.7	69.1	0	0	0	0	109.8	L746 G747	S744-L746 PolarHBondContact O-N 2.94Å; S744-L746 PolarHBondContact OG-N 2.92Å; S744-G747 PolarHBondContact N-O 2.87Å; S744-G747 PolarHBondContact O-N 3.09Å; S744-G747 VanDerWaalsContact O-N 3.11Å; S744-G747 PolarHBondContact OG-N 2.93Å; S744-G747 PolarHBondContact OG-O 2.96Å
745	N	84.8	Confident	84.6	Confident	84 Å²	84	52.6 Å²	52.6	45%	0.449	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.8	174.7	-60.3	4.2	0	0	0	112.7	E719 L720	E719-N745 HydrophobicContact CB-CB 4.24Å; L720-N745 WeakPolarHBondContact CB-O 3.48Å; L720-N745 WeakPolarHBondContact CG-O 3.26Å; L720-N745 PolarHBondContact N-O 2.86Å
746	L	85.5	Confident	85.2	Confident	105 Å²	105	46.6 Å²	46.6	55%	0.55	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-17.5	176.8	-66.8	165.8	0	0	0	112.9	V715 E719 S744	V715-L746 PolarHBondContact N-O 3.3Å; E719-L746 HydrophobicContact CG-CD2 3.85Å; S744-L746 PolarHBondContact O-N 2.94Å; S744-L746 PolarHBondContact OG-N 2.92Å
747	G	87.7	Confident	85.6	Confident	5 Å²	5	42.2 Å²	42.2	5%	0.052	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144.6	-162	-175.1	0	0	0	0	0	114.8	V713 S744	V713-G747 CarbonylContact O-C 3.28Å; V713-G747 WeakPolarHBondContact O-CA 3.44Å; S744-G747 PolarHBondContact N-O 2.87Å; S744-G747 PolarHBondContact O-N 3.09Å; S744-G747 VanDerWaalsContact O-N 3.11Å; S744-G747 PolarHBondContact OG-N 2.93Å; S744-G747 PolarHBondContact OG-O 2.96Å
748	L	90.1	Very high	86.1	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.1	-175.1	-162.4	84.5	0	0	0	110.6	E712 V713 V729 M741 I750 I766	E712-L748 WeakPolarHBondContact CA-O 3.41Å; V713-L748 HydrophobicContact CB-CB 4.34Å; V713-L748 PolarHBondContact N-O 3.3Å; V713-L748 PolarHBondContact O-N 3Å; V729-L748 HydrophobicContact CG2-CD2 3.52Å; M741-L748 HydrophobicContact CE-CD1 4.2Å; M741-L748 HydrophobicContact CG-CD1 3.75Å; M741-L748 HydrophobicContact CG-CD2 4.13Å; M741-L748 HydrophobicContact CG-CG 3.9Å; M741-L748 HydrophobicContact SD-CD1 3.67Å; M741-L748 HydrophobicContact SD-CD2 3.92Å; M741-L748 HydrophobicContact SD-CG 4.12Å; L748-I750 HydrophobicContact CD2-CD1 3.92Å; L748-I750 HydrophobicContact CD2-CG1 3.99Å; L748-I766 HydrophobicContact CD2-CD1 3.98Å; L748-I766 HydrophobicContact CD2-CG1 4.4Å
749	V	87.9	Confident	86.7	Confident	29 Å²	29	38.9 Å²	38.9	18%	0.176	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.8	171.2	-167.1	0	0	0	0	109	E712 M741 S742 T751	E712-V749 HydrophobicContact CB-CG1 4.49Å; E712-V749 HydrophobicContact CB-CG2 4.44Å; E712-V749 HydrophobicContact CG-CG2 4.13Å; M741-V749 CarbonylContact C-O 3.56Å; M741-V749 WeakPolarHBondContact CA-O 3.35Å; S742-V749 PolarHBondContact N-O 2.94Å; S742-V749 PolarHBondContact O-N 2.8Å; V749-T751 HydrophobicContact CG1-CG2 3.87Å
750	I	89.4	Confident	87.1	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.1	175.4	-63.9	159	0	0	0	108.2	S710 C711 L734 L739 E740 M741 L748 Y759 V762 L763 I766	S710-I750 CarbonylContact C-O 3.55Å; S710-I750 VanDerWaalsContact CA-O 3.25Å; S710-I750 WeakPolarHBondContact CA-O 3.2Å; S710-I750 PolarHBondContact OG-O 3.26Å; C711-I750 PolarHBondContact N-O 3.25Å; C711-I750 PolarHBondContact O-N 2.95Å; L734-I750 HydrophobicContact CD2-CG1 4.39Å; L734-I750 HydrophobicContact CD2-CG2 3.86Å; L739-I750 HydrophobicContact CB-CG2 4.31Å; L739-I750 HydrophobicContact CD1-CG2 4.4Å; E740-I750 CarbonylContact O-C 3.56Å; E740-I750 WeakPolarHBondContact O-CA 3.42Å; M741-I750 HydrophobicContact CB-CG1 4.48Å; M741-I750 HydrophobicContact CG-CG1 4.17Å; L748-I750 HydrophobicContact CD2-CD1 3.92Å; L748-I750 HydrophobicContact CD2-CG1 3.99Å; I750-Y759 HydrophobicContact CB-CE1 4.45Å; I750-Y759 HydrophobicContact CG2-CE1 3.86Å; I750-V762 HydrophobicContact CD1-CG1 3.83Å; I750-L763 HydrophobicContact CD1-CD2 3.98Å; I750-I766 HydrophobicContact CD1-CD1 4.18Å
751	T	84.4	Confident	87.5	Confident	52 Å²	52	39.3 Å²	39.3	32%	0.319	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151	-173.4	60.4	0	0	0	0	113.3	E740 V749	E740-T751 PolarHBondContact N-O 2.64Å; E740-T751 PolarHBondContact O-N 3.05Å; V749-T751 HydrophobicContact CG1-CG2 3.87Å
752	G	82.3	Confident	87.8	Confident	18 Å²	18	36.7 Å²	36.7	19%	0.186	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	123.8	124.2	169.4	0	0	0	0	0	113.3	D709 L739 N754 Y759	D709-G752 PolarHBondContact O-N 2.66Å; L739-G752 WeakPolarHBondContact CD2-O 3.32Å; G752-N754 PolarHBondContact O-N 3.36Å; G752-Y759 PolarHBondContact N-OH 2.66Å; G752-Y759 PolarHBondContact O-OH 3.17Å; G752-Y759 VanDerWaalsContact O-OH 3.1Å
753	V	85.9	Confident	88.4	Confident	5 Å²	5	35 Å²	35	3%	0.03	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	121.7	-173.7	170.8	0	0	0	0	113.5	Y306 S310 K313 L314 N707 L708 D709	Y306-V753 HydrophobicContact CD1-CG2 3.62Å; Y306-V753 HydrophobicContact CE1-CG1 4.19Å; Y306-V753 HydrophobicContact CE1-CG2 3.73Å; S310-V753 VanDerWaalsContact CB-CG2 3.47Å; K313-V753 WeakPolarHBondContact CD-O 3.4Å; K313-V753 WeakPolarHBondContact CE-O 3.12Å; K313-V753 PolarHBondContact NZ-O 2.81Å; L314-V753 HydrophobicContact CD1-CG1 4.21Å; L314-V753 HydrophobicContact CD2-CG1 3.81Å; L314-V753 HydrophobicContact CG-CG1 4.05Å; N707-V753 HydrophobicContact CB-CG1 3.55Å; L708-V753 VanDerWaalsContact O-CA 3.26Å; L708-V753 WeakPolarHBondContact O-CA 3.38Å; D709-V753 HydrophobicContact CB-CG2 3.91Å
754	N	88.8	Confident	88.7	Confident	23 Å²	23	33.7 Å²	33.7	12%	0.123	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	161.1	179.1	-150.2	-22.9	0	0	0	112.1	N707 L708 R737 L739 G752 N758 Y759	N707-N754 CarbonylContact C-O 3.51Å; N707-N754 WeakPolarHBondContact CA-O 3.45Å; N707-N754 WeakPolarHBondContact CB-O 3.4Å; L708-N754 PolarHBondContact N-O 2.97Å; L708-N754 PolarHBondContact O-N 3.16Å; R737-N754 PolarHBondContact O-ND2 2.92Å; L739-N754 HydrophobicContact CD2-CB 3.99Å; G752-N754 PolarHBondContact O-N 3.36Å; N754-N758 HydrophobicContact CB-CB 4.48Å; N754-N758 PolarHBondContact OD1-ND2 3.31Å; N754-Y759 HydrophobicContact CB-CD2 4.19Å; N754-Y759 HydrophobicContact CB-CE2 3.89Å
755	T	89.4	Confident	89	Confident	58 Å²	58	34.4 Å²	34.4	36%	0.356	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	148.5	-178.3	61.5	0	0	0	0	112.6	N707 A757 N758 Y759	N707-T755 WeakPolarHBondContact OD1-CA 3.21Å; N707-T755 WeakPolarHBondContact OD1-CG2 3.06Å; N707-T755 PolarHBondContact OD1-N 3.41Å; T755-A757 VanDerWaalsContact C-N 3.27Å; T755-A757 PolarHBondContact O-N 2.82Å; T755-N758 WeakPolarHBondContact O-CB 3.02Å; T755-N758 PolarHBondContact O-N 3.31Å; T755-N758 PolarHBondContact OG1-N 2.05Å; T755-N758 PolarHBondContact OG1-ND2 3.43Å; T755-Y759 PolarHBondContact O-N 3.03Å
756	M	89.9	Confident	89.4	Confident	15 Å²	15	30.4 Å²	30.4	7%	0.074	17%	0.173	C	C	.	.	H	α-helix	trans	-52.2	-43.3	177	-69.7	160.5	178.5	0	0	112.5	I669 S671 H706 L708 N758 Y759 E760	I669-M756 HydrophobicContact CB-CB 4.42Å; I669-M756 HydrophobicContact CG2-CB 4.21Å; I669-M756 HydrophobicContact CG2-CG 4.05Å; S671-M756 VanDerWaalsContact CB-CE 3.49Å; H706-M756 HydrophobicContact CB-CE 3.72Å; H706-M756 PolarHBondContact O-N 3.07Å; L708-M756 HydrophobicContact CD1-CG 4.08Å; L708-M756 HydrophobicContact CD2-CE 3.88Å; L708-M756 HydrophobicContact CD2-CG 4.24Å; L708-M756 HydrophobicContact CG-CE 4.36Å; L708-M756 HydrophobicContact CG-CG 3.78Å; M756-N758 VanDerWaalsContact C-N 3.29Å; M756-N758 PolarHBondContact O-N 3.05Å; M756-Y759 CarbonylContact O-C 3.47Å; M756-Y759 WeakPolarHBondContact O-CA 3.36Å; M756-Y759 WeakPolarHBondContact O-CB 3.49Å; M756-Y759 PolarHBondContact O-N 3Å; M756-E760 PolarHBondContact O-N 3.47Å
757	A	89.8	Confident	89.8	Confident	46 Å²	46	29.2 Å²	29.2	38%	0.38	16%	0.161	S	C	.	.	H	α-helix	trans	-63.4	-28.1	176.8	0	0	0	0	0	114.3	T755 Q761	T755-A757 VanDerWaalsContact C-N 3.27Å; T755-A757 PolarHBondContact O-N 2.82Å; A757-Q761 VanDerWaalsContact O-CG 3.27Å; A757-Q761 WeakPolarHBondContact O-CG 3.36Å; A757-Q761 PolarHBondContact O-N 3.02Å
758	N	90.8	Very high	90	Very high	41 Å²	41	29 Å²	29	22%	0.219	16%	0.159	C	C	.	.	H	α-helix	trans	-75	-34.1	172.4	-84.5	-34	0	0	0	111.6	R737 N754 T755 M756 V762	R737-N758 PolarHBondContact NH1-OD1 2.92Å; N754-N758 HydrophobicContact CB-CB 4.48Å; N754-N758 PolarHBondContact OD1-ND2 3.31Å; T755-N758 WeakPolarHBondContact O-CB 3.02Å; T755-N758 PolarHBondContact O-N 3.31Å; T755-N758 PolarHBondContact OG1-N 2.05Å; T755-N758 PolarHBondContact OG1-ND2 3.43Å; M756-N758 VanDerWaalsContact C-N 3.29Å; M756-N758 PolarHBondContact O-N 3.05Å; N758-V762 WeakPolarHBondContact O-CG2 3.21Å; N758-V762 PolarHBondContact O-N 3.27Å
759	Y	92.3	Very high	90.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-68.7	-46.4	172.2	-90.8	-87.4	0	0	0	112	L708 D709 S710 C711 L739 I750 G752 N754 T755 M756 Q761 V762 L763	L708-Y759 HydrophobicContact CB-CD2 3.8Å; L708-Y759 HydrophobicContact CB-CE2 3.8Å; L708-Y759 HydrophobicContact CB-CG 4.31Å; L708-Y759 HydrophobicContact CD1-CD2 4.2Å; L708-Y759 HydrophobicContact CD1-CG 3.99Å; L708-Y759 HydrophobicContact CG-CD2 4.49Å; L708-Y759 WeakPolarHBondContact O-CE2 3.35Å; D709-Y759 VanDerWaalsContact C-OH 3.26Å; D709-Y759 PolarHBondContact O-OH 3.21Å; D709-Y759 VanDerWaalsContact O-OH 3.13Å; S710-Y759 PolarHBondContact N-OH 2.88Å; C711-Y759 HydrophobicContact CB-CD1 4.02Å; C711-Y759 HydrophobicContact CB-CE1 4.04Å; C711-Y759 WeakPolarHBondContact SG-CD1 3.48Å; L739-Y759 HydrophobicContact CD2-CE1 4.45Å; L739-Y759 HydrophobicContact CD2-CE2 3.88Å; I750-Y759 HydrophobicContact CB-CE1 4.45Å; I750-Y759 HydrophobicContact CG2-CE1 3.86Å; G752-Y759 PolarHBondContact N-OH 2.66Å; G752-Y759 PolarHBondContact O-OH 3.17Å; G752-Y759 VanDerWaalsContact O-OH 3.1Å; N754-Y759 HydrophobicContact CB-CD2 4.19Å; N754-Y759 HydrophobicContact CB-CE2 3.89Å; T755-Y759 PolarHBondContact O-N 3.03Å; M756-Y759 CarbonylContact O-C 3.47Å; M756-Y759 WeakPolarHBondContact O-CA 3.36Å; M756-Y759 WeakPolarHBondContact O-CB 3.49Å; M756-Y759 PolarHBondContact O-N 3Å; Y759-Q761 VanDerWaalsContact C-N 3.33Å; Y759-Q761 PolarHBondContact O-N 3.27Å; Y759-V762 PolarHBondContact O-N 2.75Å; Y759-L763 WeakPolarHBondContact O-CB 3.5Å; Y759-L763 VanDerWaalsContact O-CG 3.26Å; Y759-L763 WeakPolarHBondContact O-CG 3.17Å; Y759-L763 PolarHBondContact O-N 2.68Å
760	E	91.9	Very high	90.2	Very high	24 Å²	24	28.7 Å²	28.7	11%	0.112	16%	0.155	C	C	.	.	H	α-helix	trans	-48.3	-54.4	171.8	-74.5	-179	150.3	0	0	111.1	R668 I669 M756 V762 L763 H764	R668-E760 WeakPolarHBondContact CA-OE1 3.46Å; I669-E760 HydrophobicContact CB-CG 4.07Å; I669-E760 HydrophobicContact CD1-CG 3.96Å; I669-E760 HydrophobicContact CG1-CG 3.72Å; I669-E760 PolarHBondContact N-OE1 3.42Å; M756-E760 PolarHBondContact O-N 3.47Å; E760-V762 PolarHBondContact O-N 3.4Å; E760-L763 PolarHBondContact O-N 3.34Å; E760-H764 PolarHBondContact O-CD2 3.06Å; E760-H764 PolarHBondContact O-N 2.76Å
761	Q	90.3	Very high	90.1	Very high	90 Å²	90	34.8 Å²	34.8	42%	0.421	18%	0.178	S	C	.	.	H	α-helix	trans	-60.7	-27.2	-179.1	-73.5	175.9	27.5	0	0	114.1	A757 Y759 L765	A757-Q761 VanDerWaalsContact O-CG 3.27Å; A757-Q761 WeakPolarHBondContact O-CG 3.36Å; A757-Q761 PolarHBondContact O-N 3.02Å; Y759-Q761 VanDerWaalsContact C-N 3.33Å; Y759-Q761 PolarHBondContact O-N 3.27Å; Q761-L765 WeakPolarHBondContact O-CG 3.42Å
762	V	91.7	Very high	90	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-85.3	-41	176.5	166.2	0	0	0	0	111.5	L734 L739 I750 N758 Y759 E760 H764 L765	L734-V762 HydrophobicContact CD2-CG1 3.47Å; L734-V762 VanDerWaalsContact CD2-CG1 3.47Å; L734-V762 HydrophobicContact CD2-CG2 4.41Å; L734-V762 HydrophobicContact CG-CG1 4.19Å; L739-V762 HydrophobicContact CD1-CG2 3.99Å; I750-V762 HydrophobicContact CD1-CG1 3.83Å; N758-V762 WeakPolarHBondContact O-CG2 3.21Å; N758-V762 PolarHBondContact O-N 3.27Å; Y759-V762 PolarHBondContact O-N 2.75Å; E760-V762 PolarHBondContact O-N 3.4Å; V762-H764 VanDerWaalsContact C-N 3.29Å; V762-H764 PolarHBondContact O-N 2.94Å; V762-L765 WeakPolarHBondContact O-CB 3.5Å; V762-L765 PolarHBondContact O-N 2.84Å
763	L	93.7	Very high	89.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.8	-33.8	178.9	-66.1	168.1	0	0	0	111.4	L667 I669 C711 V713 I750 Y759 E760 L765 I766 L783	L667-L763 HydrophobicContact CD2-CB 3.74Å; L667-L763 HydrophobicContact CD2-CD1 3.54Å; L667-L763 HydrophobicContact CD2-CG 4.27Å; I669-L763 HydrophobicContact CD1-CD1 3.92Å; C711-L763 HydrophobicContact CB-CD1 4.36Å; C711-L763 HydrophobicContact CB-CD2 4.2Å; V713-L763 HydrophobicContact CG2-CD2 4.45Å; I750-L763 HydrophobicContact CD1-CD2 3.98Å; Y759-L763 WeakPolarHBondContact O-CB 3.5Å; Y759-L763 VanDerWaalsContact O-CG 3.26Å; Y759-L763 WeakPolarHBondContact O-CG 3.17Å; Y759-L763 PolarHBondContact O-N 2.68Å; E760-L763 PolarHBondContact O-N 3.34Å; L763-L765 PolarHBondContact O-N 3.08Å; L763-L765 VanDerWaalsContact O-N 3.16Å; L763-I766 HydrophobicContact CD2-CD1 3.67Å; L763-I766 WeakPolarHBondContact O-CG1 3.31Å; L763-I766 PolarHBondContact O-N 3.35Å; L763-L783 HydrophobicContact CD1-CD1 4.24Å; L763-L783 HydrophobicContact CD1-CD2 4.17Å; L763-L783 HydrophobicContact CD2-CD1 3.92Å
764	H	92.3	Very high	89.4	Confident	58 Å²	58	42.4 Å²	42.4	27%	0.269	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.9	168.7	-67.3	-39	0	0	0	114.4	T662 F664 L667 E760 V762	T662-H764 WeakPolarHBondContact CG2-O 3.48Å; F664-H764 PolarHBondContact O-ND1 3.17Å; L667-H764 PolarHBondContact O-CE1 3.37Å; E760-H764 PolarHBondContact O-CD2 3.06Å; E760-H764 PolarHBondContact O-N 2.76Å; V762-H764 VanDerWaalsContact C-N 3.29Å; V762-H764 PolarHBondContact O-N 2.94Å
765	L	91.1	Very high	88.7	Confident	67 Å²	67	44.9 Å²	44.9	35%	0.351	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-5.6	179.6	-60.9	173.4	0	0	0	113.4	V729 Q733 Q761 V762 L763 R767	V729-L765 HydrophobicContact CG1-CB 4.37Å; Q733-L765 HydrophobicContact CB-CD1 4Å; Q733-L765 HydrophobicContact CG-CD1 4.05Å; Q761-L765 WeakPolarHBondContact O-CG 3.42Å; V762-L765 WeakPolarHBondContact O-CB 3.5Å; V762-L765 PolarHBondContact O-N 2.84Å; L763-L765 PolarHBondContact O-N 3.08Å; L763-L765 VanDerWaalsContact O-N 3.16Å; L765-R767 PolarHBondContact O-N 3.23Å
766	I	93.1	Very high	88.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.			trans	-69.1	119.2	-179.9	-57.8	-178.2	0	0	0	110	T662 L663 F664 V713 L727 V729 L748 I750 L763	T662-I766 WeakPolarHBondContact CA-O 3.47Å; L663-I766 HydrophobicContact CD1-CG2 4Å; L663-I766 HydrophobicContact CG-CG2 4.45Å; L663-I766 PolarHBondContact N-O 2.92Å; F664-I766 HydrophobicContact CD2-CB 4.31Å; F664-I766 HydrophobicContact CD2-CD1 4.19Å; F664-I766 HydrophobicContact CE2-CD1 4.12Å; V713-I766 HydrophobicContact CG2-CD1 3.79Å; L727-I766 HydrophobicContact CD2-CG2 4.43Å; V729-I766 HydrophobicContact CG2-CB 4.39Å; V729-I766 HydrophobicContact CG2-CG1 3.78Å; L748-I766 HydrophobicContact CD2-CD1 3.98Å; L748-I766 HydrophobicContact CD2-CG1 4.4Å; I750-I766 HydrophobicContact CD1-CD1 4.18Å; L763-I766 HydrophobicContact CD2-CD1 3.67Å; L763-I766 WeakPolarHBondContact O-CG1 3.31Å; L763-I766 PolarHBondContact O-N 3.35Å
767	R	92.4	Very high	88	Confident	79 Å²	79	49.3 Å²	49.3	30%	0.298	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132	176.3	-61.3	-61.1	-179.7	125.1	-3.2	110.5	E659 G660 V661 T662 L727 E728 L765	E659-R767 WeakPolarHBondContact O-CD 3.27Å; E659-R767 VanDerWaalsContact O-CG 3.31Å; E659-R767 WeakPolarHBondContact O-CG 3.48Å; G660-R767 PolarHBondContact O-NH1 2.87Å; V661-R767 WeakPolarHBondContact O-CA 3.42Å; T662-R767 PolarHBondContact OG1-NE 2.91Å; T662-R767 VanDerWaalsContact OG1-NE 3.14Å; L727-R767 WeakPolarHBondContact CA-O 3.4Å; E728-R767 PolarHBondContact N-O 3.14Å; E728-R767 PolarHBondContact O-N 3.45Å; L765-R767 PolarHBondContact O-N 3.23Å
768	Y	93.6	Very high	88	Confident	1 Å²	1	50.3 Å²	50.3	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.5	166.1	170.2	-117.7	0	0	0	109.6	F655 V661 L663 L720 E725 S726 L727 N770 L776 R779 F781	F655-Y768 AromaticContact CD1-CD1 3.83Å; F655-Y768 HydrophobicContact CD1-CD1 3.83Å; F655-Y768 AromaticContact CD1-CE1 3.88Å; F655-Y768 HydrophobicContact CD1-CE1 3.88Å; F655-Y768 AromaticContact CE1-CD1 3.92Å; F655-Y768 HydrophobicContact CE1-CD1 3.92Å; F655-Y768 HydrophobicContact CE1-CE1 4.03Å; V661-Y768 PolarHBondContact N-O 3.37Å; V661-Y768 PolarHBondContact O-N 3.42Å; L663-Y768 HydrophobicContact CD2-CG 4.35Å; L720-Y768 HydrophobicContact CD2-CE2 4.31Å; E725-Y768 HydrophobicContact CB-CE2 4.22Å; E725-Y768 HydrophobicContact CG-CE2 4.4Å; E725-Y768 PolarHBondContact OE1-OH 3.33Å; S726-Y768 WeakPolarHBondContact O-CA 3.47Å; S726-Y768 WeakPolarHBondContact O-CD2 3.47Å; L727-Y768 HydrophobicContact CD2-CD2 4.05Å; L727-Y768 HydrophobicContact CD2-CG 4.42Å; Y768-N770 HydrophobicContact CE1-CB 4.45Å; Y768-L776 HydrophobicContact CE1-CD2 4.41Å; Y768-L776 WeakPolarHBondContact OH-CD2 3.49Å; Y768-R779 HydrophobicContact CE1-CB 4.24Å; Y768-R779 HydrophobicContact CE1-CG 4.43Å; Y768-R779 HydrophobicContact CE2-CG 4.47Å; Y768-F781 HydrophobicContact CD1-CE2 4.2Å; Y768-F781 HydrophobicContact CD1-CZ 4.2Å; Y768-F781 HydrophobicContact CD2-CE1 4.37Å; Y768-F781 HydrophobicContact CD2-CE2 4.36Å; Y768-F781 AromaticContact CD2-CZ 3.58Å; Y768-F781 HydrophobicContact CD2-CZ 3.58Å; Y768-F781 HydrophobicContact CE1-CE2 4.49Å; Y768-F781 HydrophobicContact CE1-CZ 4.4Å; Y768-F781 AromaticContact CE2-CZ 3.8Å; Y768-F781 HydrophobicContact CE2-CZ 3.8Å; Y768-F781 HydrophobicContact CG-CE2 4.13Å; Y768-F781 AromaticContact CG-CZ 3.8Å; Y768-F781 HydrophobicContact CG-CZ 3.8Å
769	K	91.3	Very high	88.1	Confident	19 Å²	19	49.5 Å²	49.5	8%	0.083	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.2	177.5	-71.6	172.6	175.3	174.7	0	109.6	Q658 E725 S726 E728 W771	Q658-K769 WeakPolarHBondContact O-CE 3.25Å; Q658-K769 PolarHBondContact O-NZ 3.01Å; E725-K769 WeakPolarHBondContact CA-O 3.42Å; S726-K769 PolarHBondContact N-O 3.2Å; S726-K769 PolarHBondContact O-N 3.48Å; E728-K769 WeakPolarHBondContact OE1-CD 3.37Å; E728-K769 IonicContact OE1-NZ 2.77Å; E728-K769 IonicContact OE2-NZ 2.63Å; E728-K769 PolarHBondContact OE2-NZ 3.44Å; K769-W771 HydrophobicContact CB-CH2 4.01Å; K769-W771 HydrophobicContact CB-CZ2 4.15Å; K769-W771 HydrophobicContact CB-CZ3 4.32Å; K769-W771 HydrophobicContact CD-CH2 4.08Å; K769-W771 HydrophobicContact CD-CZ2 3.85Å
770	N	89.9	Confident	88.2	Confident	5 Å²	5	53 Å²	53	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	124.3	170.1	-178.7	-45.1	0	0	0	108.3	F655 E656 H724 E725 Y768 H772 T773 L776	F655-N770 CarbonylContact C-O 3.47Å; F655-N770 VanDerWaalsContact C-O 3.28Å; F655-N770 HydrophobicContact CB-CB 4.35Å; F655-N770 PolarHBondContact O-N 3.43Å; F655-N770 VanDerWaalsContact O-N 3.16Å; E656-N770 WeakPolarHBondContact CA-O 3.07Å; E656-N770 VanDerWaalsContact CG-O 3.24Å; E656-N770 WeakPolarHBondContact CG-O 3.46Å; E656-N770 PolarHBondContact N-O 3.25Å; H724-N770 CarbonylContact O-C 3.46Å; H724-N770 WeakPolarHBondContact O-CA 3.31Å; E725-N770 HydrophobicContact CG-CB 4.34Å; E725-N770 WeakPolarHBondContact CG-ND2 3.5Å; E725-N770 PolarHBondContact OE1-ND2 2.92Å; Y768-N770 HydrophobicContact CE1-CB 4.45Å; N770-H772 WeakPolarHBondContact OD1-CA 3.37Å; N770-H772 PolarHBondContact OD1-N 3.01Å; N770-H772 PolarHBondContact OD1-O 2.98Å; N770-T773 HydrophobicContact CB-CG2 4.26Å; N770-T773 PolarHBondContact OD1-N 3.38Å; N770-L776 WeakPolarHBondContact ND2-CD2 3.41Å
771	W	86.6	Confident	88.3	Confident	128 Å²	128	51.9 Å²	51.9	49%	0.485	25%	0.247	S	C	.	.	S	Bend	trans	-95	-0.1	-177.1	-68.5	-77.8	0	0	0	114.2	H724 S726 K769	H724-W771 PolarHBondContact O-N 3.41Å; S726-W771 WeakPolarHBondContact OG-CH2 3.14Å; K769-W771 HydrophobicContact CB-CH2 4.01Å; K769-W771 HydrophobicContact CB-CZ2 4.15Å; K769-W771 HydrophobicContact CB-CZ3 4.32Å; K769-W771 HydrophobicContact CD-CH2 4.08Å; K769-W771 HydrophobicContact CD-CZ2 3.85Å
772	H	83.6	Confident	88.5	Confident	85 Å²	85	50.2 Å²	50.2	39%	0.394	24%	0.238	S	C	.	.			trans	-140.1	67.5	177	-171.8	48.7	0	0	0	110.7	H724 N770 E774	H724-H772 HydrophobicContact CB-CB 4.48Å; N770-H772 WeakPolarHBondContact OD1-CA 3.37Å; N770-H772 PolarHBondContact OD1-N 3.01Å; N770-H772 PolarHBondContact OD1-O 2.98Å; H772-E774 IonicContact CE1-OE2 2.64Å; H772-E774 PolarHBondContact CE1-OE2 3.41Å; H772-E774 PolarHBondContact O-N 3.27Å
773	T	79.4	Confident	88.7	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.012	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-71.4	-16.4	-172.1	62.2	0	0	0	0	114.2	A652 F655 E656 N770 A775 L776 H805	A652-T773 WeakPolarHBondContact CB-OG1 3.09Å; F655-T773 HydrophobicContact CB-CG2 3.77Å; F655-T773 HydrophobicContact CD2-CG2 4.48Å; F655-T773 HydrophobicContact CG-CG2 4.41Å; E656-T773 HydrophobicContact CG-CG2 3.81Å; E656-T773 WeakPolarHBondContact OE1-CB 3.44Å; E656-T773 WeakPolarHBondContact OE1-CG2 3.35Å; E656-T773 PolarHBondContact OE1-N 2.96Å; E656-T773 PolarHBondContact OE1-OG1 3.21Å; N770-T773 HydrophobicContact CB-CG2 4.26Å; N770-T773 PolarHBondContact OD1-N 3.38Å; T773-A775 PolarHBondContact O-N 3.2Å; T773-L776 PolarHBondContact O-N 2.97Å; T773-H805 PolarHBondContact O-CE1 3.05Å; T773-H805 PolarHBondContact O-NE2 2.97Å; T773-H805 VanDerWaalsContact O-NE2 3.09Å
774	E	75.9	Confident	88.8	Confident	149 Å²	149	51.4 Å²	51.4	70%	0.696	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-53.6	-28	-170.7	-60.6	-171.2	150.9	0	0	114.9	H772	H772-E774 IonicContact CE1-OE2 2.64Å; H772-E774 PolarHBondContact CE1-OE2 3.41Å; H772-E774 PolarHBondContact O-N 3.27Å
775	A	73.1	Confident	88.9	Confident	75 Å²	75	48.7 Å²	48.7	62%	0.62	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-101.9	-10.3	179	0	0	0	0	0	114.2	T773	T773-A775 PolarHBondContact O-N 3.2Å
776	L	81.1	Confident	88.7	Confident	25 Å²	25	46.3 Å²	46.3	13%	0.131	22%	0.222	C	C	.	.			trans	-93.4	125.6	-176.9	-173.9	69.2	0	0	0	110.5	Y768 N770 T773 D778 R779 V803 H805	Y768-L776 HydrophobicContact CE1-CD2 4.41Å; Y768-L776 WeakPolarHBondContact OH-CD2 3.49Å; N770-L776 WeakPolarHBondContact ND2-CD2 3.41Å; T773-L776 PolarHBondContact O-N 2.97Å; L776-D778 VanDerWaalsContact CD1-O 3.31Å; L776-D778 WeakPolarHBondContact CD1-O 3.5Å; L776-R779 HydrophobicContact CD1-CB 4.3Å; L776-R779 HydrophobicContact CD2-CB 4.28Å; L776-V803 HydrophobicContact CB-CG2 4.39Å; L776-V803 HydrophobicContact CD2-CG2 3.88Å; L776-V803 HydrophobicContact CG-CG2 3.97Å; L776-V803 WeakPolarHBondContact O-CB 3.34Å; L776-H805 PolarHBondContact O-NE2 2.65Å
777	F	84.3	Confident	88.2	Confident	140 Å²	140	46.4 Å²	46.4	61%	0.614	22%	0.222	S	C	*	.	S	Bend	trans	-103.9	-47.8	173.6	-67.1	-81.5	0	0	0	111.4	N802 V803	F777-N802 WeakPolarHBondContact O-CA 3.43Å; F777-V803 PolarHBondContact O-N 3.04Å
778	D	89.8	Confident	87.3	Confident	67 Å²	67	43 Å²	43	36%	0.358	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	145.2	177.4	66.8	-58.1	0	0	0	111.5	L776 K780 E800 V801 N802	L776-D778 VanDerWaalsContact CD1-O 3.31Å; L776-D778 WeakPolarHBondContact CD1-O 3.5Å; D778-K780 WeakPolarHBondContact OD2-CE 3.16Å; D778-K780 IonicContact OD2-NZ 2.87Å; D778-K780 PolarHBondContact OD2-NZ 3.39Å; D778-E800 HydrophobicContact CB-CG 4.43Å; D778-V801 CarbonylContact C-O 3.59Å; D778-V801 WeakPolarHBondContact CA-O 3.28Å; D778-N802 WeakPolarHBondContact CB-OD1 3.23Å
779	R	92.5	Very high	86.3	Confident	25 Å²	25	45 Å²	45	9%	0.094	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.1	168.8	-157	67.8	159.9	125.7	-6.1	109.4	D718 E719 E725 Y768 L776 F781 V801	D718-R779 PolarHBondContact O-NH1 2.82Å; D718-R779 PolarHBondContact O-NH2 3.37Å; D718-R779 VanDerWaalsContact O-NH2 3.16Å; E719-R779 PolarHBondContact O-NH2 3.4Å; E725-R779 IonicContact OE1-NE 3.55Å; E725-R779 PolarHBondContact OE1-NE 2.77Å; E725-R779 IonicContact OE2-CZ 3.63Å; E725-R779 VanDerWaalsContact OE2-CZ 3.25Å; E725-R779 IonicContact OE2-NE 3.67Å; E725-R779 PolarHBondContact OE2-NE 2.98Å; E725-R779 IonicContact OE2-NH2 3.89Å; E725-R779 PolarHBondContact OE2-NH2 3.01Å; Y768-R779 HydrophobicContact CE1-CB 4.24Å; Y768-R779 HydrophobicContact CE1-CG 4.43Å; Y768-R779 HydrophobicContact CE2-CG 4.47Å; L776-R779 HydrophobicContact CD1-CB 4.3Å; L776-R779 HydrophobicContact CD2-CB 4.28Å; R779-F781 HydrophobicContact CB-CE2 4.08Å; R779-F781 HydrophobicContact CB-CZ 4.38Å; R779-F781 HydrophobicContact CG-CE2 3.88Å; R779-F781 HydrophobicContact CG-CZ 3.7Å; R779-V801 PolarHBondContact N-O 2.78Å; R779-V801 PolarHBondContact O-N 2.7Å
780	K	94.4	Very high	85.3	Confident	74 Å²	74	45.6 Å²	45.6	32%	0.322	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.7	-172.7	-55.8	-169.4	-159.3	-150.7	0	111.5	V716 D778 V799 E800	V716-K780 HydrophobicContact CB-CB 3.94Å; V716-K780 HydrophobicContact CG1-CB 4.49Å; V716-K780 PolarHBondContact N-O 3.41Å; D778-K780 WeakPolarHBondContact OD2-CE 3.16Å; D778-K780 IonicContact OD2-NZ 2.87Å; D778-K780 PolarHBondContact OD2-NZ 3.39Å; K780-V799 WeakPolarHBondContact CA-O 3.45Å; K780-E800 HydrophobicContact CD-CG 4.28Å; K780-E800 WeakPolarHBondContact CE-OE2 3.28Å; K780-E800 HydrophobicContact CG-CB 4.32Å; K780-E800 HydrophobicContact CG-CG 4.1Å; K780-E800 IonicContact NZ-OE2 3.8Å; K780-E800 PolarHBondContact NZ-OE2 3.15Å
781	F	94.9	Very high	84.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146.4	179.6	-58.3	-84.3	0	0	0	109.7	L663 V713 S714 V715 L720 L727 Y768 R779 K798 V799 V801	L663-F781 HydrophobicContact CD1-CB 4.42Å; L663-F781 HydrophobicContact CD1-CD1 4.09Å; L663-F781 HydrophobicContact CD1-CD2 3.91Å; L663-F781 HydrophobicContact CD1-CE1 4.36Å; L663-F781 HydrophobicContact CD1-CE2 4.2Å; L663-F781 HydrophobicContact CD1-CG 3.86Å; L663-F781 HydrophobicContact CD1-CZ 4.41Å; L663-F781 HydrophobicContact CD2-CD2 3.68Å; L663-F781 HydrophobicContact CD2-CE2 3.69Å; L663-F781 HydrophobicContact CD2-CG 4.46Å; L663-F781 HydrophobicContact CD2-CZ 4.46Å; L663-F781 HydrophobicContact CG-CD2 4.47Å; V713-F781 HydrophobicContact CG1-CB 4.34Å; V713-F781 HydrophobicContact CG1-CD1 4.48Å; S714-F781 CarbonylContact O-C 3.55Å; S714-F781 WeakPolarHBondContact O-CA 3.4Å; V715-F781 HydrophobicContact CG2-CD1 4.11Å; V715-F781 HydrophobicContact CG2-CE1 3.96Å; L720-F781 HydrophobicContact CD2-CE1 4.41Å; L727-F781 HydrophobicContact CD1-CD1 4.35Å; L727-F781 HydrophobicContact CD1-CE1 4.12Å; L727-F781 HydrophobicContact CD2-CD1 4.39Å; L727-F781 HydrophobicContact CD2-CE1 3.83Å; L727-F781 HydrophobicContact CD2-CZ 4.25Å; L727-F781 HydrophobicContact CG-CE1 4.32Å; Y768-F781 HydrophobicContact CD1-CE2 4.2Å; Y768-F781 HydrophobicContact CD1-CZ 4.2Å; Y768-F781 HydrophobicContact CD2-CE1 4.37Å; Y768-F781 HydrophobicContact CD2-CE2 4.36Å; Y768-F781 AromaticContact CD2-CZ 3.58Å; Y768-F781 HydrophobicContact CD2-CZ 3.58Å; Y768-F781 HydrophobicContact CE1-CE2 4.49Å; Y768-F781 HydrophobicContact CE1-CZ 4.4Å; Y768-F781 AromaticContact CE2-CZ 3.8Å; Y768-F781 HydrophobicContact CE2-CZ 3.8Å; Y768-F781 HydrophobicContact CG-CE2 4.13Å; Y768-F781 AromaticContact CG-CZ 3.8Å; Y768-F781 HydrophobicContact CG-CZ 3.8Å; R779-F781 HydrophobicContact CB-CE2 4.08Å; R779-F781 HydrophobicContact CB-CZ 4.38Å; R779-F781 HydrophobicContact CG-CE2 3.88Å; R779-F781 HydrophobicContact CG-CZ 3.7Å; F781-K798 CarbonylContact O-C 3.5Å; F781-K798 VanDerWaalsContact O-CA 3.3Å; F781-K798 WeakPolarHBondContact O-CA 3.25Å; F781-V799 PolarHBondContact N-O 2.82Å; F781-V799 PolarHBondContact O-N 3.35Å; F781-V801 HydrophobicContact CD2-CG2 4.29Å; F781-V801 HydrophobicContact CE2-CG2 4.34Å
782	K	95.1	Very high	84.3	Confident	55 Å²	55	44.3 Å²	44.3	24%	0.239	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.8	175.1	166.3	179.2	165.4	162.1	0	108.5	V713 S714 V716 V784 D796 F797 K798	V713-K782 CarbonylContact C-O 3.6Å; V713-K782 WeakPolarHBondContact CA-O 3.45Å; S714-K782 PolarHBondContact N-O 3.45Å; S714-K782 PolarHBondContact O-N 3.19Å; S714-K782 PolarHBondContact OG-O 3.4Å; V716-K782 HydrophobicContact CG2-CB 3.65Å; K782-V784 HydrophobicContact CD-CG2 4.32Å; K782-V784 HydrophobicContact CG-CG2 4.13Å; K782-D796 WeakPolarHBondContact CE-OD1 3.48Å; K782-D796 WeakPolarHBondContact CE-OD2 3.34Å; K782-D796 IonicContact NZ-OD1 3.74Å; K782-D796 PolarHBondContact NZ-OD1 2.04Å; K782-D796 IonicContact NZ-OD2 3.41Å; K782-D796 PolarHBondContact NZ-OD2 2.87Å; K782-F797 CarbonylContact C-O 3.55Å; K782-F797 WeakPolarHBondContact CA-O 3.5Å; K782-K798 HydrophobicContact CB-CG 4.27Å
783	L	95.6	Very high	84.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	134	169	173.9	68.2	0	0	0	109.7	L642 F664 L667 C711 E712 V713 L763 F797	L642-L783 HydrophobicContact CD1-CB 4.45Å; L642-L783 HydrophobicContact CD1-CD2 3.93Å; L642-L783 HydrophobicContact CD1-CG 3.77Å; F664-L783 HydrophobicContact CD1-CD2 4.26Å; F664-L783 HydrophobicContact CE1-CB 3.83Å; F664-L783 HydrophobicContact CE1-CD2 4.12Å; F664-L783 HydrophobicContact CZ-CB 3.84Å; F664-L783 HydrophobicContact CZ-CD2 4.44Å; L667-L783 HydrophobicContact CD1-CD2 3.8Å; L667-L783 HydrophobicContact CD2-CD2 3.51Å; L667-L783 HydrophobicContact CG-CD2 4.33Å; C711-L783 HydrophobicContact CB-CD1 4.13Å; E712-L783 CarbonylContact O-C 3.51Å; E712-L783 WeakPolarHBondContact O-CA 3.42Å; V713-L783 HydrophobicContact CG2-CB 4.48Å; V713-L783 HydrophobicContact CG2-CD1 3.65Å; L763-L783 HydrophobicContact CD1-CD1 4.24Å; L763-L783 HydrophobicContact CD1-CD2 4.17Å; L763-L783 HydrophobicContact CD2-CD1 3.92Å; L783-F797 HydrophobicContact CB-CB 4.39Å; L783-F797 HydrophobicContact CB-CD1 4.49Å; L783-F797 HydrophobicContact CD2-CD1 4.43Å; L783-F797 PolarHBondContact N-O 2.81Å; L783-F797 PolarHBondContact O-N 2.82Å
784	V	95.2	Very high	85.2	Confident	25 Å²	25	45.7 Å²	45.7	15%	0.152	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.8	168.7	176.6	0	0	0	0	108.1	C711 E712 K782 I793	C711-V784 CarbonylContact C-O 3.48Å; C711-V784 VanDerWaalsContact CA-O 3.3Å; C711-V784 WeakPolarHBondContact CA-O 3.32Å; E712-V784 PolarHBondContact N-O 3.13Å; E712-V784 PolarHBondContact O-N 2.89Å; K782-V784 HydrophobicContact CD-CG2 4.32Å; K782-V784 HydrophobicContact CG-CG2 4.13Å; V784-I793 HydrophobicContact CG1-CG2 3.25Å
785	C	93.3	Very high	86.1	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	154.2	173.2	-66.9	0	0	0	0	110.7	L642 L708 S710 C711 S794	L642-C785 HydrophobicContact CD2-CB 4.46Å; L708-C785 HydrophobicContact CD1-CB 3.97Å; L708-C785 HydrophobicContact CD2-CB 4.36Å; S710-C785 CarbonylContact O-C 3.55Å; S710-C785 WeakPolarHBondContact O-CA 3.39Å; C711-C785 HydrophobicContact CB-CB 4.17Å; C711-C785 WeakPolarHBondContact CB-SG 3.25Å; C711-C785 WeakPolarHBondContact SG-CB 3.32Å; C711-C785 CovalentContact SG-SG 2.04Å; C711-C785 PolarHBondContact SG-SG 2.96Å; C785-S794 PolarHBondContact N-OG 3.14Å; C785-S794 WeakPolarHBondContact O-CB 3.36Å; C785-S794 PolarHBondContact O-N 2.84Å; C785-S794 PolarHBondContact O-OG 2.75Å
786	S	88.4	Confident	87.1	Confident	17 Å²	17	41.9 Å²	41.9	12%	0.119	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	163.3	-177.7	53.1	0	0	0	0	114.5	L708 D709 S710 Y792	L708-S786 WeakPolarHBondContact CA-O 3.37Å; L708-S786 WeakPolarHBondContact CB-O 3.39Å; L708-S786 WeakPolarHBondContact CD2-O 3.43Å; D709-S786 PolarHBondContact N-O 3.22Å; D709-S786 WeakPolarHBondContact OD1-CB 3.22Å; D709-S786 PolarHBondContact OD1-OG 3.38Å; S710-S786 WeakPolarHBondContact CB-OG 3.31Å; S710-S786 PolarHBondContact O-N 3.45Å; S786-Y792 CarbonylContact C-O 3.56Å; S786-Y792 WeakPolarHBondContact CA-O 3.33Å; S786-Y792 WeakPolarHBondContact CB-O 3.3Å
787	E	82.2	Confident	87.8	Confident	3 Å²	3	41.4 Å²	41.4	1%	0.014	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	153.5	175	-164.2	-174.3	155.4	0	0	110.4	I640 H706 N707 D709 G790 R791 Y792	I640-E787 HydrophobicContact CD1-CB 3.82Å; H706-E787 WeakPolarHBondContact CB-OE1 3.47Å; H706-E787 WeakPolarHBondContact CB-OE2 3.45Å; H706-E787 IonicContact CE1-OE1 3.71Å; H706-E787 IonicContact CE1-OE2 3.45Å; H706-E787 IonicContact CG-OE1 2.72Å; H706-E787 IonicContact CG-OE2 3.75Å; H706-E787 VanDerWaalsContact ND1-CD 3.29Å; H706-E787 IonicContact ND1-OE1 3.7Å; H706-E787 PolarHBondContact ND1-OE1 3.49Å; H706-E787 IonicContact ND1-OE2 2.77Å; H706-E787 PolarHBondContact ND1-OE2 2.86Å; N707-E787 WeakPolarHBondContact O-CG 3.45Å; D709-E787 VanDerWaalsContact OD2-CA 3.32Å; D709-E787 WeakPolarHBondContact OD2-CA 3.32Å; E787-G790 PolarHBondContact O-N 3.02Å; E787-R791 PolarHBondContact O-N 2.95Å; E787-Y792 PolarHBondContact N-O 2.78Å; E787-Y792 PolarHBondContact O-N 2.74Å
788	L	73.1	Confident	88.3	Confident	7 Å²	7	40 Å²	40	4%	0.037	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	53.3	178.8	-52.5	-165	0	0	0	114.3	T305 Y306 F598 D709 G790 R791 Y792	T305-L788 HydrophobicContact CG2-CD1 4.35Å; T305-L788 HydrophobicContact CG2-CD2 3.83Å; T305-L788 CarbonylContact O-C 3.59Å; T305-L788 WeakPolarHBondContact O-CA 3.23Å; Y306-L788 HydrophobicContact CD1-CD2 4.45Å; Y306-L788 HydrophobicContact CE1-CD2 3.79Å; Y306-L788 HydrophobicContact CE2-CD2 3.95Å; Y306-L788 VanDerWaalsContact CZ-CD2 3.48Å; F598-L788 HydrophobicContact CB-CD1 4.44Å; F598-L788 HydrophobicContact CD2-CD1 4.41Å; D709-L788 PolarHBondContact OD2-N 2.87Å; L788-G790 PolarHBondContact O-N 2.84Å; L788-R791 HydrophobicContact CB-CB 4.07Å; L788-R791 VanDerWaalsContact O-CB 3.27Å; L788-R791 WeakPolarHBondContact O-CB 3.23Å; L788-R791 PolarHBondContact O-N 3Å; L788-Y792 HydrophobicContact CB-CD2 4.5Å; L788-Y792 HydrophobicContact CD1-CD2 4.03Å; L788-Y792 HydrophobicContact CD1-CE2 3.61Å; L788-Y792 HydrophobicContact CG-CD2 4.13Å; L788-Y792 HydrophobicContact CG-CE2 4.23Å
789	N	72.1	Confident	88.5	Confident	44 Å²	44	36.9 Å²	36.9	24%	0.235	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	46.7	-175.7	-156.7	36	0	0	0	113.4	S346 D709	S346-N789 PolarHBondContact O-ND2 2.96Å; D709-N789 WeakPolarHBondContact OD2-CA 3.48Å; D709-N789 PolarHBondContact OD2-N 2.87Å
790	G	70.5	Confident	88.6	Confident	31 Å²	31	38.7 Å²	38.7	32%	0.32	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-0.4	179	0	0	0	0	0	115.6	D709 E787 L788 Y792 I793	D709-G790 PolarHBondContact OD2-N 2.87Å; E787-G790 PolarHBondContact O-N 3.02Å; L788-G790 PolarHBondContact O-N 2.84Å; G790-Y792 PolarHBondContact O-N 3.03Å; G790-I793 VanDerWaalsContact O-CG1 3.29Å; G790-I793 WeakPolarHBondContact O-CG1 3.49Å
791	R	74.8	Confident	88.5	Confident	90 Å²	90	35.2 Å²	35.2	34%	0.34	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-38.3	179.7	173.7	177.7	170.6	167.4	-2.7	113	E787 L788	E787-R791 PolarHBondContact O-N 2.95Å; L788-R791 HydrophobicContact CB-CB 4.07Å; L788-R791 VanDerWaalsContact O-CB 3.27Å; L788-R791 WeakPolarHBondContact O-CB 3.23Å; L788-R791 PolarHBondContact O-N 3Å
792	Y	81.6	Confident	88.3	Confident	15 Å²	15	37.7 Å²	37.7	6%	0.059	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.3	173	-55.1	-55.4	0	0	0	109.1	F598 E637 P638 S786 E787 L788 G790	F598-Y792 HydrophobicContact CG-CE2 4.47Å; E637-Y792 HydrophobicContact CB-CE1 4.18Å; E637-Y792 HydrophobicContact CG-CE1 4.16Å; P638-Y792 HydrophobicContact CG-CD1 4.35Å; P638-Y792 HydrophobicContact CG-CD2 3.45Å; P638-Y792 VanDerWaalsContact CG-CD2 3.45Å; P638-Y792 HydrophobicContact CG-CE1 4.48Å; P638-Y792 HydrophobicContact CG-CE2 3.57Å; P638-Y792 HydrophobicContact CG-CG 3.87Å; S786-Y792 CarbonylContact C-O 3.56Å; S786-Y792 WeakPolarHBondContact CA-O 3.33Å; S786-Y792 WeakPolarHBondContact CB-O 3.3Å; E787-Y792 PolarHBondContact N-O 2.78Å; E787-Y792 PolarHBondContact O-N 2.74Å; L788-Y792 HydrophobicContact CB-CD2 4.5Å; L788-Y792 HydrophobicContact CD1-CD2 4.03Å; L788-Y792 HydrophobicContact CD1-CE2 3.61Å; L788-Y792 HydrophobicContact CG-CD2 4.13Å; L788-Y792 HydrophobicContact CG-CE2 4.23Å; G790-Y792 PolarHBondContact O-N 3.03Å
793	I	88.4	Confident	88	Confident	107 Å²	107	35.7 Å²	35.7	55%	0.549	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.2	-172.6	-53.3	179.9	0	0	0	108.3	V784 G790	V784-I793 HydrophobicContact CG1-CG2 3.25Å; G790-I793 VanDerWaalsContact O-CG1 3.29Å; G790-I793 WeakPolarHBondContact O-CG1 3.49Å
794	S	93.9	Very high	87.5	Confident	10 Å²	10	39.2 Å²	39.2	7%	0.07	20%	0.203	C	C	.	.			trans	-69.1	169.3	177	74.6	0	0	0	0	113.5	I640 L642 C785	I640-S794 WeakPolarHBondContact O-CA 3.22Å; L642-S794 WeakPolarHBondContact CD1-OG 3.13Å; C785-S794 PolarHBondContact N-OG 3.14Å; C785-S794 WeakPolarHBondContact O-CB 3.36Å; C785-S794 PolarHBondContact O-N 2.84Å; C785-S794 PolarHBondContact O-OG 2.75Å
795	N	93.1	Very high	86.8	Confident	69 Å²	69	42 Å²	42	37%	0.369	21%	0.214	S	C	.	.			trans	-58.5	153.2	161.9	61.4	-68.6	0	0	0	112	S641 L642 F797	S641-N795 WeakPolarHBondContact CA-OD1 3.48Å; L642-N795 PolarHBondContact N-OD1 3.42Å; L642-N795 PolarHBondContact O-ND2 3.49Å; N795-F797 PolarHBondContact O-N 2.92Å; N795-F797 VanDerWaalsContact O-N 3.12Å
796	D	94.2	Very high	85.5	Confident	74 Å²	74	47.2 Å²	47.2	40%	0.396	25%	0.246	S	C	.	.			trans	-61.9	103.9	165.9	-89.2	29.1	0	0	0	110	K782 K798	K782-D796 WeakPolarHBondContact CE-OD1 3.48Å; K782-D796 WeakPolarHBondContact CE-OD2 3.34Å; K782-D796 IonicContact NZ-OD1 3.74Å; K782-D796 PolarHBondContact NZ-OD1 2.04Å; K782-D796 IonicContact NZ-OD2 3.41Å; K782-D796 PolarHBondContact NZ-OD2 2.87Å; D796-K798 WeakPolarHBondContact OD2-CE 3.49Å; D796-K798 IonicContact OD2-NZ 3.84Å; D796-K798 PolarHBondContact OD2-NZ 3Å
797	F	95.9	Very high	83.6	Confident	15 Å²	15	51.8 Å²	51.8	7%	0.066	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	111.5	170.4	-172.2	-108.4	0	0	0	109.8	L642 D646 F664 L667 K782 L783 N795 V799	L642-F797 HydrophobicContact CB-CB 3.71Å; L642-F797 HydrophobicContact CB-CD2 4.49Å; L642-F797 HydrophobicContact CB-CG 4.17Å; L642-F797 HydrophobicContact CD1-CB 3.8Å; L642-F797 HydrophobicContact CG-CB 4.44Å; D646-F797 HydrophobicContact CB-CE2 4.26Å; D646-F797 HydrophobicContact CB-CZ 4.36Å; F664-F797 HydrophobicContact CD1-CD1 4.25Å; F664-F797 HydrophobicContact CD1-CE1 4.06Å; F664-F797 HydrophobicContact CE1-CD1 4.14Å; F664-F797 HydrophobicContact CE1-CE1 4.29Å; L667-F797 HydrophobicContact CD1-CD1 3.97Å; L667-F797 HydrophobicContact CD1-CE1 4.04Å; K782-F797 CarbonylContact C-O 3.55Å; K782-F797 WeakPolarHBondContact CA-O 3.5Å; L783-F797 HydrophobicContact CB-CB 4.39Å; L783-F797 HydrophobicContact CB-CD1 4.49Å; L783-F797 HydrophobicContact CD2-CD1 4.43Å; L783-F797 PolarHBondContact N-O 2.81Å; L783-F797 PolarHBondContact O-N 2.82Å; N795-F797 PolarHBondContact O-N 2.92Å; N795-F797 VanDerWaalsContact O-N 3.12Å; F797-V799 HydrophobicContact CD1-CG2 3.95Å; F797-V799 HydrophobicContact CE1-CG2 3.41Å; F797-V799 VanDerWaalsContact CE1-CG2 3.41Å; F797-V799 HydrophobicContact CZ-CG2 4.14Å
798	K	94.8	Very high	81.6	Confident	111 Å²	111	58.4 Å²	58.4	48%	0.483	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.7	-175.7	-66.9	175.6	-176.8	163.4	0	109.9	D646 F781 K782 D796	D646-K798 WeakPolarHBondContact CB-O 3.37Å; F781-K798 CarbonylContact O-C 3.5Å; F781-K798 VanDerWaalsContact O-CA 3.3Å; F781-K798 WeakPolarHBondContact O-CA 3.25Å; K782-K798 HydrophobicContact CB-CG 4.27Å; D796-K798 WeakPolarHBondContact OD2-CE 3.49Å; D796-K798 IonicContact OD2-NZ 3.84Å; D796-K798 PolarHBondContact OD2-NZ 3Å
799	V	94.6	Very high	80.4	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.012	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.5	177.2	178	0	0	0	0	109.6	D646 F648 F664 K780 F781 F797 V801	D646-V799 CarbonylContact O-C 3.56Å; D646-V799 VanDerWaalsContact O-CA 3.28Å; D646-V799 WeakPolarHBondContact O-CA 2.96Å; F648-V799 HydrophobicContact CD1-CG1 4.26Å; F648-V799 HydrophobicContact CE1-CG1 3.74Å; F664-V799 HydrophobicContact CD1-CG2 3.84Å; F664-V799 HydrophobicContact CE1-CB 4.37Å; F664-V799 HydrophobicContact CE1-CG2 3.56Å; K780-V799 WeakPolarHBondContact CA-O 3.45Å; F781-V799 PolarHBondContact N-O 2.82Å; F781-V799 PolarHBondContact O-N 3.35Å; F797-V799 HydrophobicContact CD1-CG2 3.95Å; F797-V799 HydrophobicContact CE1-CG2 3.41Å; F797-V799 VanDerWaalsContact CE1-CG2 3.41Å; F797-V799 HydrophobicContact CZ-CG2 4.14Å; V799-V801 HydrophobicContact CG1-CG2 3.89Å
800	E	94.2	Very high	78.7	Confident	63 Å²	63	68.2 Å²	68.2	29%	0.294	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.8	172.1	-175.4	178.9	122.8	0	0	110.8	D646 H647 F648 D778 K780 N802	D646-E800 PolarHBondContact O-N 3.17Å; H647-E800 WeakPolarHBondContact CA-O 3.4Å; H647-E800 HydrophobicContact CB-CB 4.44Å; F648-E800 PolarHBondContact N-O 2.83Å; D778-E800 HydrophobicContact CB-CG 4.43Å; K780-E800 HydrophobicContact CD-CG 4.28Å; K780-E800 WeakPolarHBondContact CE-OE2 3.28Å; K780-E800 HydrophobicContact CG-CB 4.32Å; K780-E800 HydrophobicContact CG-CG 4.1Å; K780-E800 IonicContact NZ-OE2 3.8Å; K780-E800 PolarHBondContact NZ-OE2 3.15Å; E800-N802 PolarHBondContact OE1-ND2 2.86Å
801	V	92.4	Very high	77.4	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.006	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	110.3	-176.4	-172.9	0	0	0	0	109.4	F648 F655 L663 D778 R779 F781 V799	F648-V801 HydrophobicContact CD2-CG1 4.4Å; F648-V801 HydrophobicContact CE1-CG2 4.01Å; F648-V801 HydrophobicContact CE2-CB 4.5Å; F648-V801 HydrophobicContact CE2-CG1 3.7Å; F648-V801 HydrophobicContact CE2-CG2 4.25Å; F648-V801 HydrophobicContact CZ-CB 4.41Å; F648-V801 HydrophobicContact CZ-CG1 3.97Å; F648-V801 HydrophobicContact CZ-CG2 3.69Å; F655-V801 HydrophobicContact CE1-CG1 3.49Å; F655-V801 VanDerWaalsContact CE1-CG1 3.49Å; F655-V801 HydrophobicContact CZ-CG1 3.57Å; L663-V801 HydrophobicContact CD2-CG2 3.76Å; D778-V801 CarbonylContact C-O 3.59Å; D778-V801 WeakPolarHBondContact CA-O 3.28Å; R779-V801 PolarHBondContact N-O 2.78Å; R779-V801 PolarHBondContact O-N 2.7Å; F781-V801 HydrophobicContact CD2-CG2 4.29Å; F781-V801 HydrophobicContact CE2-CG2 4.34Å; V799-V801 HydrophobicContact CG1-CG2 3.89Å
802	N	91.4	Very high	75.5	Confident	51 Å²	51	79.8 Å²	79.8	27%	0.273	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136.4	-175.7	-78.7	-68.2	0	0	0	112.2	F648 A649 R650 F777 D778 E800	F648-N802 PolarHBondContact O-N 3.06Å; A649-N802 CarbonylContact C-O 3.59Å; A649-N802 WeakPolarHBondContact CA-O 3.27Å; A649-N802 HydrophobicContact CB-CB 3.89Å; R650-N802 PolarHBondContact N-O 2.81Å; F777-N802 WeakPolarHBondContact O-CA 3.43Å; D778-N802 WeakPolarHBondContact CB-OD1 3.23Å; E800-N802 PolarHBondContact OE1-ND2 2.86Å
803	V	89.4	Confident	73.2	Confident	13 Å²	13	83.3 Å²	83.3	8%	0.079	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122	-177.8	-171.7	0	0	0	0	110.7	A652 F655 L776 F777 H805	A652-V803 HydrophobicContact CB-CG1 4.17Å; F655-V803 HydrophobicContact CD2-CG1 4.21Å; F655-V803 HydrophobicContact CD2-CG2 4.32Å; F655-V803 HydrophobicContact CE2-CB 4.27Å; F655-V803 HydrophobicContact CE2-CG1 4.1Å; F655-V803 HydrophobicContact CE2-CG2 3.89Å; F655-V803 HydrophobicContact CZ-CG2 4.11Å; L776-V803 HydrophobicContact CB-CG2 4.39Å; L776-V803 HydrophobicContact CD2-CG2 3.88Å; L776-V803 HydrophobicContact CG-CG2 3.97Å; L776-V803 WeakPolarHBondContact O-CB 3.34Å; F777-V803 PolarHBondContact O-N 3.04Å; V803-H805 WeakPolarHBondContact CG1-NE2 3.38Å
804	I	85	Confident	71	Confident	75 Å²	75	85.4 Å²	85.4	39%	0.385	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	105.4	179.5	-57.4	175.2	0	0	0	110.2	A649 R650 A652 T806	A649-I804 HydrophobicContact CB-CD1 3.76Å; A649-I804 HydrophobicContact CB-CG1 3.92Å; R650-I804 WeakPolarHBondContact O-CB 3.43Å; R650-I804 PolarHBondContact O-N 3.07Å; A652-I804 PolarHBondContact N-O 3.23Å; I804-T806 HydrophobicContact CG2-CG2 3.69Å; I804-T806 PolarHBondContact O-N 3.32Å
805	H	80.1	Confident	68.1	Low	83 Å²	83	93.3 Å²	93.3	38%	0.384	51%	0.513	S	S	.	.			trans	-86.4	66	174.7	-69.1	-60.9	0	0	0	112.6	T773 L776 V803	T773-H805 PolarHBondContact O-CE1 3.05Å; T773-H805 PolarHBondContact O-NE2 2.97Å; T773-H805 VanDerWaalsContact O-NE2 3.09Å; L776-H805 PolarHBondContact O-NE2 2.65Å; V803-H805 WeakPolarHBondContact CG1-NE2 3.38Å
806	T	65	Low	65.3	Low	111 Å²	111	94.4 Å²	94.4	68%	0.681	53%	0.531	S	S	*	.			trans	-86.4	118.1	173.9	41	0	0	0	0	112	I804 N808	I804-T806 HydrophobicContact CG2-CG2 3.69Å; I804-T806 PolarHBondContact O-N 3.32Å; T806-N808 PolarHBondContact O-N 3.14Å
807	S	48.2	Very low	62.5	Low	113 Å²	113	99.3 Å²	99.3	79%	0.79	55%	0.554	S	S	*	*			trans	-63.5	123.7	-173.1	58.2	0	0	0	0	115.2
808	N	41.4	Very low	59.4	Low	141 Å²	141	104.7 Å²	104.7	75%	0.754	59%	0.587	S	S	*	*			trans	51.3	129.2	161.6	-79.2	-6.2	0	0	0	120.1	T806 V810	T806-N808 PolarHBondContact O-N 3.14Å; N808-V810 PolarHBondContact O-N 2.85Å
809	P	46.6	Very low	56.5	Low	128 Å²	128	107.5 Å²	107.5	83%	0.831	60%	0.602	S	S	*	*			trans	-73.5	109.7	164.6	31.2	-31.3	0	0	0	109.9	E811	P809-E811 PolarHBondContact O-N 3.46Å
810	V	37.1	Very low	53.8	Low	129 Å²	129	112.9 Å²	112.9	78%	0.782	64%	0.637	S	S	*	*			trans	-89.3	98.1	171.1	-176.7	0	0	0	0	109.3	N808 H812	N808-V810 PolarHBondContact O-N 2.85Å; V810-H812 PolarHBondContact O-N 3.23Å
811	E	43.8	Very low	50.9	Low	172 Å²	172	115.4 Å²	115.4	80%	0.804	65%	0.653	S	S	*	*			trans	-58.3	126.4	155.3	-66.6	-172	134.9	0	0	108.6	P809	P809-E811 PolarHBondContact O-N 3.46Å
812	H	35.2	Very low	47.8	Very low	192 Å²	192	124.8 Å²	124.8	89%	0.889	69%	0.694	S	S	*	*			trans	-167.5	145.7	139.9	-104.3	42.1	0	0	0	112.5	V810	V810-H812 PolarHBondContact O-N 3.23Å
813	A	31.5	Very low	44.9	Very low	89 Å²	89	130 Å²	130	74%	0.736	72%	0.72	S	S	*	*			trans	-73.9	155.9	-157	0	0	0	0	0	118.6
814	N	42.9	Very low	42.1	Very low	151 Å²	151	136.5 Å²	136.5	81%	0.807	76%	0.755	S	S	*	*			trans	26.7	118.2	143.1	-66	-19.8	0	0	0	119.8
815	N	34.3	Very low	39.6	Very low	177 Å²	177	139 Å²	139	95%	0.947	78%	0.775	S	S	*	*				-159.2	165.1	126.1	-105.6	-42.6	0	0	0	113.1
816	A	33.9	Very low	37.1	Very low	91 Å²	91	140.8 Å²	140.8	75%	0.752	79%	0.792	S	S	*	*			trans	-87.7	150.7	-157.2	0	0	0	0	0	116.5
817	M	35	Very low	35.4	Very low	178 Å²	178	144.2 Å²	144.2	88%	0.877	80%	0.8	S	S	*	*			trans	44.5	115.8	141.6	-141.4	175.3	87.7	0	0	119.5
818	V	30.1	Very low	34.5	Very low	127 Å²	127	147.3 Å²	147.3	77%	0.77	80%	0.802	S	S	*	*				-176.7	127.1	123.2	146	0	0	0	0	109.3
819	Q	34	Very low	33.8	Very low	171 Å²	171	145.1 Å²	145.1	80%	0.799	80%	0.803	S	S	*	*			trans	-90.5	145.1	166.6	-143.4	178.4	14.9	0	0	108
820	P	37.6	Very low	32.8	Very low	114 Å²	114	144.8 Å²	144.8	74%	0.74	80%	0.803	S	S	*	*				-145.9	148.8	102.3	35.9	-20.4	0	0	0	116.2
821	N	33.7	Very low	32.4	Very low	117 Å²	117	144.5 Å²	144.5	63%	0.626	80%	0.802	S	S	*	*			trans	-4	136.1	154.4	-57.3	-10.1	0	0	0	118.7
822	F	28	Very low	31.5	Very low	197 Å²	197	143.3 Å²	143.3	86%	0.864	80%	0.801	S	S	*	*				-162.4	153.3	88.2	-101.8	-75.5	0	0	0	112.3
823	I	29.5	Very low	31.3	Very low	161 Å²	161	141.4 Å²	141.4	83%	0.826	80%	0.797	S	S	*	*			trans	87.6	118.9	175	-51.9	170.5	0	0	0	115.9
824	N	31.8	Very low	31.2	Very low	150 Å²	150	141.6 Å²	141.6	80%	0.802	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-93.8	148.2	176.3	-67.3	-19.6	0	0	0	111.6
825	P	30.8	Very low	30.5	Very low	126 Å²	126	137.4 Å²	137.4	82%	0.818	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-96.6	143.7	146.9	23.8	-9.3	0	0	0	111.4
826	V	27.9	Very low	30.4	Very low	122 Å²	122	137.4 Å²	137.4	74%	0.739	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-89.9	136.7	178.1	171.4	0	0	0	0	109.8
827	H	30.1	Very low	30.2	Very low	182 Å²	182	139.7 Å²	139.7	84%	0.843	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-68	129.1	171	-77.6	-79.5	0	0	0	111.3
828	H	29	Very low	30	Very low	179 Å²	179	138 Å²	138	83%	0.829	77%	0.772	S	S	*	*			trans	-118.4	125.5	148.1	-83.6	-84.9	0	0	0	108.3
829	A	27.5	Very low	30	Very low	94 Å²	94	137.4 Å²	137.4	78%	0.777	77%	0.768	S	S	*	*			trans	-81.6	136	-179.7	0	0	0	0	0	110.1
830	S	25.8	Very low	29.6	Very low	121 Å²	121	136.8 Å²	136.8	85%	0.846	77%	0.77	S	S	*	*			trans	-66.2	129.4	166.4	40.8	0	0	0	0	109.7
831	V	28.9	Very low	29.4	Very low	123 Å²	123	134.6 Å²	134.6	75%	0.745	76%	0.762	S	S	*	*			trans	-85.3	115.7	170.7	173.7	0	0	0	0	107.5	L833	V831-L833 HydrophobicContact CG1-CD1 4.28Å
832	D	24.6	Very low	29	Very low	147 Å²	147	137.2 Å²	137.2	79%	0.786	77%	0.77	S	S	*	*			trans	-79.3	126.2	172.8	-173.6	7.3	0	0	0	109.6
833	L	29.3	Very low	29.5	Very low	153 Å²	153	136.5 Å²	136.5	80%	0.801	77%	0.77	S	S	*	*			trans	-139.7	89.9	-179.5	-109.2	165.3	0	0	0	108.9	V831	V831-L833 HydrophobicContact CG1-CD1 4.28Å
834	S	30.9	Very low	29.4	Very low	93 Å²	93	133.6 Å²	133.6	65%	0.65	77%	0.769	S	S	*	*			trans	-146.6	109.5	164	-79.5	0	0	0	0	109.4
835	G	28.4	Very low	29.3	Very low	62 Å²	62	132 Å²	132	64%	0.639	77%	0.77	S	S	*	*			trans	-106	123.6	178.8	0	0	0	0	0	112.2
836	H	31.5	Very low	29.4	Very low	178 Å²	178	132 Å²	132	82%	0.824	77%	0.768	S	S	*	*			trans	65.1	125	150.3	-59.4	-73.6	0	0	0	117.8
837	N	30.4	Very low	30.3	Very low	138 Å²	138	132.6 Å²	132.6	74%	0.738	77%	0.771	S	S	*	*				-174.4	171.3	64.4	-104.8	-42.2	0	0	0	110.9
838	L	30.3	Very low	31	Very low	144 Å²	144	127.8 Å²	127.8	75%	0.754	76%	0.756	S	S	*	*			cis	-145.2	147.4	2.4	-97.3	131.8	0	0	0	110
839	V	29.7	Very low	32.3	Very low	113 Å²	113	123.3 Å²	123.3	69%	0.685	75%	0.745	S	S	*	*			trans	41.6	113.3	138.3	-176.9	0	0	0	0	120.9
840	N	25.4	Very low	33.6	Very low	158 Å²	158	122.2 Å²	122.2	85%	0.845	74%	0.736	S	S	*	*				-161.7	156.2	99.4	-127.8	-28.5	0	0	0	116.6
841	A	33.5	Very low	34.9	Very low	69 Å²	69	119.2 Å²	119.2	57%	0.57	72%	0.718	S	S	*	*			trans	-22.3	131.1	-176.9	0	0	0	0	0	122.1
842	H	26.6	Very low	36.2	Very low	172 Å²	172	116.4 Å²	116.4	80%	0.796	70%	0.702	S	S	*	*				-173.4	171.3	94.2	-107.1	-79.1	0	0	0	114.4
843	Q	38.1	Very low	37.9	Very low	182 Å²	182	114.6 Å²	114.6	85%	0.85	69%	0.691	S	S	*	*			trans	-68.9	140.4	-168.2	-60.1	152.5	-55.9	0	0	115.5
844	A	26.3	Very low	39.6	Very low	99 Å²	99	111.6 Å²	111.6	82%	0.818	68%	0.678	S	S	*	*			trans	-154.1	156.6	151.9	0	0	0	0	0	111.8
845	S	30.8	Very low	41.4	Very low	118 Å²	118	112.2 Å²	112.2	83%	0.825	67%	0.673	S	S	*	*			trans	-74	136.6	-168.4	54	0	0	0	0	115.3
846	V	32.4	Very low	43.5	Very low	125 Å²	125	113.6 Å²	113.6	76%	0.758	67%	0.669	S	S	*	*			trans	-84.8	124.3	175.5	-178.8	0	0	0	0	111.8	P848	V846-P848 HydrophobicContact CG1-CB 4.48Å; V846-P848 HydrophobicContact CG1-CG 4.03Å
847	V	47.1	Very low	45.6	Very low	135 Å²	135	109.5 Å²	109.5	82%	0.818	66%	0.656	S	S	*	*			trans	-112.5	118.5	148.6	179	0	0	0	0	106.2
848	P	44.7	Very low	47.5	Very low	80 Å²	80	106.1 Å²	106.1	52%	0.519	64%	0.643	S	S	.	*			trans	-76.4	131.7	-170.9	-8.8	23.7	0	0	0	112.2	V846 T852	V846-P848 HydrophobicContact CG1-CB 4.48Å; V846-P848 HydrophobicContact CG1-CG 4.03Å; P848-T852 WeakPolarHBondContact CB-OG1 3.13Å
849	S	56.9	Low	50	Low	86 Å²	86	103.2 Å²	103.2	60%	0.601	63%	0.631	S	S	*	*			trans	-69.5	154.9	168.4	178.7	0	0	0	0	110.9	A851 T852	S849-A851 PolarHBondContact O-N 3.12Å; S849-T852 PolarHBondContact O-N 2.97Å; S849-T852 PolarHBondContact O-OG1 2.96Å
850	A	54.4	Low	52	Low	71 Å²	71	101.2 Å²	101.2	59%	0.587	62%	0.622	S	S	*	*	H	α-helix	trans	-52.6	-28	-176.3	0	0	0	0	0	114.3	T852 I853 V854	A850-T852 PolarHBondContact O-N 2.77Å; A850-I853 WeakPolarHBondContact O-CB 3.32Å; A850-I853 PolarHBondContact O-N 3.42Å; A850-V854 PolarHBondContact O-N 3.13Å
851	A	52.6	Low	54.8	Low	57 Å²	57	99.6 Å²	99.6	47%	0.471	61%	0.608	S	S	.	*	H	α-helix	trans	-59.2	-38.5	176.3	0	0	0	0	0	113.7	S849 I853 V854 I855	S849-A851 PolarHBondContact O-N 3.12Å; A851-I853 VanDerWaalsContact C-N 3.28Å; A851-I853 PolarHBondContact O-N 2.65Å; A851-V854 PolarHBondContact O-N 3.03Å; A851-I855 WeakPolarHBondContact O-CG1 3.16Å; A851-I855 PolarHBondContact O-N 3.11Å
852	T	56.3	Low	57.1	Low	65 Å²	65	101.6 Å²	101.6	40%	0.399	61%	0.608	S	S	.	*	H	α-helix	trans	-70.1	-28.9	179.1	60.7	0	0	0	0	111.8	P848 S849 A850 V856	P848-T852 WeakPolarHBondContact CB-OG1 3.13Å; S849-T852 PolarHBondContact O-N 2.97Å; S849-T852 PolarHBondContact O-OG1 2.96Å; A850-T852 PolarHBondContact O-N 2.77Å; T852-V856 WeakPolarHBondContact O-CB 3.39Å; T852-V856 VanDerWaalsContact O-CG2 3.22Å; T852-V856 WeakPolarHBondContact O-CG2 3.47Å; T852-V856 PolarHBondContact O-N 2.81Å
853	I	59.9	Low	59.7	Low	109 Å²	109	96.9 Å²	96.9	56%	0.559	59%	0.592	S	S	*	*	H	α-helix	trans	-67.6	-43.7	174.6	-57.2	176.8	0	0	0	109.5	A850 A851 V856 V857	A850-I853 WeakPolarHBondContact O-CB 3.32Å; A850-I853 PolarHBondContact O-N 3.42Å; A851-I853 VanDerWaalsContact C-N 3.28Å; A851-I853 PolarHBondContact O-N 2.65Å; I853-V856 PolarHBondContact O-N 2.73Å; I853-V857 WeakPolarHBondContact O-CB 3.38Å; I853-V857 VanDerWaalsContact O-CG2 3.27Å; I853-V857 WeakPolarHBondContact O-CG2 3.3Å; I853-V857 PolarHBondContact O-N 3.28Å
854	V	65.9	Low	61.8	Low	89 Å²	89	93.6 Å²	93.6	54%	0.539	58%	0.575	S	S	.	*	H	α-helix	trans	-63	-47.7	176.6	178	0	0	0	0	111.2	A850 A851 V856 V857 C858	A850-V854 PolarHBondContact O-N 3.13Å; A851-V854 PolarHBondContact O-N 3.03Å; V854-V856 PolarHBondContact O-N 3.04Å; V854-V857 PolarHBondContact O-N 3.31Å; V854-C858 PolarHBondContact O-N 3.06Å; V854-C858 PolarHBondContact O-SG 3.43Å; V854-C858 VanDerWaalsContact O-SG 3.33Å
855	I	67.8	Low	64.4	Low	106 Å²	106	93.4 Å²	93.4	54%	0.544	56%	0.558	S	S	.	*	H	α-helix	trans	-60.7	-45.4	178.8	-66.6	165.7	0	0	0	111	A851 V857 C858 V859	A851-I855 WeakPolarHBondContact O-CG1 3.16Å; A851-I855 PolarHBondContact O-N 3.11Å; I855-V857 VanDerWaalsContact C-N 3.33Å; I855-V857 PolarHBondContact O-N 2.86Å; I855-C858 PolarHBondContact O-N 3.41Å; I855-V859 HydrophobicContact CG2-CG2 4.3Å; I855-V859 WeakPolarHBondContact O-CG2 3.43Å; I855-V859 PolarHBondContact O-N 2.78Å
856	V	73	Confident	66.9	Low	92 Å²	92	93.1 Å²	93.1	56%	0.558	55%	0.546	S	S	*	.	H	α-helix	trans	-62.3	-39.9	177	168.6	0	0	0	0	111.5	T852 I853 V854 S860	T852-V856 WeakPolarHBondContact O-CB 3.39Å; T852-V856 VanDerWaalsContact O-CG2 3.22Å; T852-V856 WeakPolarHBondContact O-CG2 3.47Å; T852-V856 PolarHBondContact O-N 2.81Å; I853-V856 PolarHBondContact O-N 2.73Å; V854-V856 PolarHBondContact O-N 3.04Å; V856-S860 VanDerWaalsContact O-CB 3.25Å; V856-S860 WeakPolarHBondContact O-CB 3.44Å; V856-S860 PolarHBondContact O-N 2.9Å; V856-S860 PolarHBondContact O-OG 2.8Å
857	V	76.3	Confident	69.4	Low	91 Å²	91	91.9 Å²	91.9	55%	0.552	53%	0.534	S	S	*	.	H	α-helix	trans	-65	-43.8	174.8	169.2	0	0	0	0	111.6	I853 V854 I855 S860 F861	I853-V857 WeakPolarHBondContact O-CB 3.38Å; I853-V857 VanDerWaalsContact O-CG2 3.27Å; I853-V857 WeakPolarHBondContact O-CG2 3.3Å; I853-V857 PolarHBondContact O-N 3.28Å; V854-V857 PolarHBondContact O-N 3.31Å; I855-V857 VanDerWaalsContact C-N 3.33Å; I855-V857 PolarHBondContact O-N 2.86Å; V857-S860 PolarHBondContact O-N 2.87Å; V857-F861 WeakPolarHBondContact O-CB 3.43Å; V857-F861 PolarHBondContact O-N 3.15Å
858	C	70.2	Confident	70.9	Confident	68 Å²	68	89.1 Å²	89.1	46%	0.459	51%	0.514	S	S	.	.	H	α-helix	trans	-63.9	-44.8	177.6	-69.8	0	0	0	0	112.4	V854 I855 F861 L862	V854-C858 PolarHBondContact O-N 3.06Å; V854-C858 PolarHBondContact O-SG 3.43Å; V854-C858 VanDerWaalsContact O-SG 3.33Å; I855-C858 PolarHBondContact O-N 3.41Å; C858-F861 PolarHBondContact O-N 3.3Å; C858-L862 PolarHBondContact O-N 3.29Å
859	V	81.9	Confident	72.5	Confident	82 Å²	82	86.8 Å²	86.8	50%	0.497	51%	0.505	S	S	.	.	H	α-helix	trans	-66.2	-39.5	176.8	174.9	0	0	0	0	110.9	I855 F861 L862 V863	I855-V859 HydrophobicContact CG2-CG2 4.3Å; I855-V859 WeakPolarHBondContact O-CG2 3.43Å; I855-V859 PolarHBondContact O-N 2.78Å; V859-F861 VanDerWaalsContact C-N 3.3Å; V859-F861 PolarHBondContact O-N 2.97Å; V859-L862 PolarHBondContact O-N 3.4Å; V859-V863 HydrophobicContact CG1-CG2 4.43Å; V859-V863 WeakPolarHBondContact O-CG2 3.28Å; V859-V863 PolarHBondContact O-N 3.44Å
860	S	71.6	Confident	73.6	Confident	71 Å²	71	86.1 Å²	86.1	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-60.2	-40.6	174.2	-60.1	0	0	0	0	111.8	V856 V857 F864	V856-S860 VanDerWaalsContact O-CB 3.25Å; V856-S860 WeakPolarHBondContact O-CB 3.44Å; V856-S860 PolarHBondContact O-N 2.9Å; V856-S860 PolarHBondContact O-OG 2.8Å; V857-S860 PolarHBondContact O-N 2.87Å; S860-F864 VanDerWaalsContact O-CB 3.31Å; S860-F864 WeakPolarHBondContact O-CB 3.39Å; S860-F864 PolarHBondContact O-N 3.22Å
861	F	84	Confident	74.7	Confident	124 Å²	124	90 Å²	90	54%	0.544	50%	0.501	S	S	.	.	H	α-helix	trans	-71	-39.6	179.2	-167	-99	0	0	0	112.7	V857 C858 V859 F864 M865	V857-F861 WeakPolarHBondContact O-CB 3.43Å; V857-F861 PolarHBondContact O-N 3.15Å; C858-F861 PolarHBondContact O-N 3.3Å; V859-F861 VanDerWaalsContact C-N 3.3Å; V859-F861 PolarHBondContact O-N 2.97Å; F861-F864 PolarHBondContact O-N 2.92Å; F861-M865 HydrophobicContact CD1-CG 4.31Å; F861-M865 HydrophobicContact CE1-CE 3.58Å; F861-M865 HydrophobicContact CE1-CG 4.12Å; F861-M865 HydrophobicContact CE2-CE 4.32Å; F861-M865 HydrophobicContact CZ-CE 3.42Å; F861-M865 VanDerWaalsContact CZ-CE 3.42Å; F861-M865 WeakPolarHBondContact O-CG 3.36Å; F861-M865 PolarHBondContact O-N 3.06Å
862	L	81.9	Confident	75.7	Confident	111 Å²	111	97 Å²	97	58%	0.581	52%	0.515	S	S	*	.	H	α-helix	trans	-62.4	-47.3	172.6	-93.2	164.3	0	0	0	112	C858 V859 F864 M865 I866	C858-L862 PolarHBondContact O-N 3.29Å; V859-L862 PolarHBondContact O-N 3.4Å; L862-F864 VanDerWaalsContact C-N 3.3Å; L862-F864 PolarHBondContact O-N 3.03Å; L862-M865 PolarHBondContact O-N 2.81Å; L862-I866 WeakPolarHBondContact O-CG1 3.4Å; L862-I866 PolarHBondContact O-N 2.87Å
863	V	81.4	Confident	76.5	Confident	74 Å²	74	99.2 Å²	99.2	45%	0.448	52%	0.523	S	S	.	.	H	α-helix	trans	-62	-39.7	176.3	172.4	0	0	0	0	110.9	V859 I866 I867	V859-V863 HydrophobicContact CG1-CG2 4.43Å; V859-V863 WeakPolarHBondContact O-CG2 3.28Å; V859-V863 PolarHBondContact O-N 3.44Å; V863-I866 PolarHBondContact O-N 3.09Å; V863-I867 HydrophobicContact CG1-CD1 3.8Å; V863-I867 HydrophobicContact CG1-CG1 4.47Å; V863-I867 WeakPolarHBondContact O-CB 3.26Å; V863-I867 VanDerWaalsContact O-CG1 3.25Å; V863-I867 WeakPolarHBondContact O-CG1 3.16Å; V863-I867 PolarHBondContact O-N 2.92Å
864	F	82.5	Confident	76.8	Confident	112 Å²	112	102.7 Å²	102.7	49%	0.491	53%	0.529	S	S	.	.	H	α-helix	trans	-63	-41.9	174.2	-177.4	-107	0	0	0	112.7	S860 F861 L862 I867 L868	S860-F864 VanDerWaalsContact O-CB 3.31Å; S860-F864 WeakPolarHBondContact O-CB 3.39Å; S860-F864 PolarHBondContact O-N 3.22Å; F861-F864 PolarHBondContact O-N 2.92Å; L862-F864 VanDerWaalsContact C-N 3.3Å; L862-F864 PolarHBondContact O-N 3.03Å; F864-I867 PolarHBondContact O-N 3.28Å; F864-L868 HydrophobicContact CD1-CD1 3.95Å; F864-L868 HydrophobicContact CD1-CG 4.47Å; F864-L868 HydrophobicContact CE1-CD1 3.43Å; F864-L868 VanDerWaalsContact CE1-CD1 3.43Å; F864-L868 HydrophobicContact CE1-CG 4.15Å; F864-L868 HydrophobicContact CE2-CG 4.47Å; F864-L868 HydrophobicContact CZ-CD1 3.77Å; F864-L868 HydrophobicContact CZ-CD2 4.39Å; F864-L868 HydrophobicContact CZ-CG 4.15Å; F864-L868 WeakPolarHBondContact O-CG 3.25Å; F864-L868 PolarHBondContact O-N 3.21Å
865	M	81.5	Confident	76.8	Confident	96 Å²	96	100.8 Å²	100.8	47%	0.473	52%	0.523	S	S	.	.	H	α-helix	trans	-63.3	-42.7	174.8	-77.7	-67.1	-178.9	0	0	112.4	F861 L862 L868 G869	F861-M865 HydrophobicContact CD1-CG 4.31Å; F861-M865 HydrophobicContact CE1-CE 3.58Å; F861-M865 HydrophobicContact CE1-CG 4.12Å; F861-M865 HydrophobicContact CE2-CE 4.32Å; F861-M865 HydrophobicContact CZ-CE 3.42Å; F861-M865 VanDerWaalsContact CZ-CE 3.42Å; F861-M865 WeakPolarHBondContact O-CG 3.36Å; F861-M865 PolarHBondContact O-N 3.06Å; L862-M865 PolarHBondContact O-N 2.81Å; M865-L868 PolarHBondContact O-N 2.88Å; M865-G869 PolarHBondContact O-N 2.86Å
866	I	83.4	Confident	76.5	Confident	111 Å²	111	98.6 Å²	98.6	57%	0.569	52%	0.521	S	S	*	.	H	α-helix	trans	-62.9	-44.8	175.8	-67.2	165.4	0	0	0	110.5	L862 V863 L868 G869 V870	L862-I866 WeakPolarHBondContact O-CG1 3.4Å; L862-I866 PolarHBondContact O-N 2.87Å; V863-I866 PolarHBondContact O-N 3.09Å; I866-L868 PolarHBondContact O-N 3.44Å; I866-G869 PolarHBondContact O-N 3.17Å; I866-V870 WeakPolarHBondContact O-CG2 3.15Å; I866-V870 PolarHBondContact O-N 3.4Å
867	I	83.6	Confident	75.7	Confident	99 Å²	99	100.2 Å²	100.2	51%	0.508	52%	0.522	S	S	.	.	H	α-helix	trans	-61.2	-43.8	176.7	-70	167.2	0	0	0	111	V863 F864 G869 V870 F871	V863-I867 HydrophobicContact CG1-CD1 3.8Å; V863-I867 HydrophobicContact CG1-CG1 4.47Å; V863-I867 WeakPolarHBondContact O-CB 3.26Å; V863-I867 VanDerWaalsContact O-CG1 3.25Å; V863-I867 WeakPolarHBondContact O-CG1 3.16Å; V863-I867 PolarHBondContact O-N 2.92Å; F864-I867 PolarHBondContact O-N 3.28Å; I867-G869 VanDerWaalsContact C-N 3.35Å; I867-G869 PolarHBondContact O-N 3.19Å; I867-V870 PolarHBondContact O-N 2.78Å; I867-F871 WeakPolarHBondContact O-CB 3.29Å; I867-F871 PolarHBondContact O-N 2.78Å
868	L	78.9	Confident	74.8	Confident	77 Å²	77	103 Å²	103	40%	0.403	53%	0.529	S	S	.	.	H	α-helix	trans	-64	-37	174.6	-74.6	-178.1	0	0	0	112.8	F864 M865 I866 F871 R872	F864-L868 HydrophobicContact CD1-CD1 3.95Å; F864-L868 HydrophobicContact CD1-CG 4.47Å; F864-L868 HydrophobicContact CE1-CD1 3.43Å; F864-L868 VanDerWaalsContact CE1-CD1 3.43Å; F864-L868 HydrophobicContact CE1-CG 4.15Å; F864-L868 HydrophobicContact CE2-CG 4.47Å; F864-L868 HydrophobicContact CZ-CD1 3.77Å; F864-L868 HydrophobicContact CZ-CD2 4.39Å; F864-L868 HydrophobicContact CZ-CG 4.15Å; F864-L868 WeakPolarHBondContact O-CG 3.25Å; F864-L868 PolarHBondContact O-N 3.21Å; M865-L868 PolarHBondContact O-N 2.88Å; I866-L868 PolarHBondContact O-N 3.44Å; L868-F871 PolarHBondContact O-N 2.86Å; L868-R872 WeakPolarHBondContact O-CB 3.46Å; L868-R872 WeakPolarHBondContact O-CG 3.43Å; L868-R872 PolarHBondContact O-N 3.24Å
869	G	78.7	Confident	74	Confident	31 Å²	31	109.1 Å²	109.1	32%	0.32	54%	0.543	S	S	.	.	H	α-helix	trans	-59.9	-52.7	173.4	0	0	0	0	0	111.7	M865 I866 I867 F871 R872 I873	M865-G869 PolarHBondContact O-N 2.86Å; I866-G869 PolarHBondContact O-N 3.17Å; I867-G869 VanDerWaalsContact C-N 3.35Å; I867-G869 PolarHBondContact O-N 3.19Å; G869-F871 VanDerWaalsContact C-N 3.3Å; G869-F871 PolarHBondContact O-N 2.9Å; G869-R872 PolarHBondContact O-N 2.97Å; G869-I873 WeakPolarHBondContact O-CG1 3.43Å; G869-I873 PolarHBondContact O-N 2.85Å
870	V	80.6	Confident	72.5	Confident	72 Å²	72	108.8 Å²	108.8	44%	0.436	54%	0.544	S	S	.	.	H	α-helix	trans	-60.6	-38.4	176.3	175.6	0	0	0	0	111.6	I866 I867 I873 R874	I866-V870 WeakPolarHBondContact O-CG2 3.15Å; I866-V870 PolarHBondContact O-N 3.4Å; I867-V870 PolarHBondContact O-N 2.78Å; V870-I873 PolarHBondContact O-N 2.85Å; V870-R874 WeakPolarHBondContact O-CG 3.5Å; V870-R874 PolarHBondContact O-N 2.99Å
871	F	75.8	Confident	71.4	Confident	152 Å²	152	111.6 Å²	111.6	67%	0.667	55%	0.551	S	S	*	*	H	α-helix	trans	-67.2	-38.8	176.9	-136.6	-83.1	0	0	0	112.4	I867 L868 G869 A875	I867-F871 WeakPolarHBondContact O-CB 3.29Å; I867-F871 PolarHBondContact O-N 2.78Å; L868-F871 PolarHBondContact O-N 2.86Å; G869-F871 VanDerWaalsContact C-N 3.3Å; G869-F871 PolarHBondContact O-N 2.9Å; F871-A875 VanDerWaalsContact O-CB 3.28Å; F871-A875 WeakPolarHBondContact O-CB 3.38Å; F871-A875 PolarHBondContact O-N 2.92Å
872	R	74.3	Confident	69.5	Low	206 Å²	206	115.2 Å²	115.2	78%	0.777	56%	0.561	S	S	*	*	H	α-helix	trans	-65.8	-43	173.7	-80.6	-173.5	171.7	-165.9	-0.6	112.2	L868 G869 A875 A876	L868-R872 WeakPolarHBondContact O-CB 3.46Å; L868-R872 WeakPolarHBondContact O-CG 3.43Å; L868-R872 PolarHBondContact O-N 3.24Å; G869-R872 PolarHBondContact O-N 2.97Å; R872-A875 PolarHBondContact O-N 3.03Å; R872-A876 WeakPolarHBondContact O-CB 3.36Å; R872-A876 PolarHBondContact O-N 3.25Å
873	I	74	Confident	67.8	Low	111 Å²	111	116.3 Å²	116.3	57%	0.569	57%	0.567	S	S	*	*	H	α-helix	trans	-62.2	-45.3	177.2	-68.1	165	0	0	0	110.5	G869 V870 A876 H877	G869-I873 WeakPolarHBondContact O-CG1 3.43Å; G869-I873 PolarHBondContact O-N 2.85Å; V870-I873 PolarHBondContact O-N 2.85Å; I873-A876 PolarHBondContact O-N 2.8Å; I873-H877 PolarHBondContact O-N 3.31Å
874	R	66.3	Low	66.2	Low	181 Å²	181	120.1 Å²	120.1	68%	0.683	58%	0.58	S	S	*	*	H	α-helix	trans	-65	-38.6	175.2	-74.1	-174.6	174.6	-167	-1.2	113	V870 A876 H877 Q878	V870-R874 WeakPolarHBondContact O-CG 3.5Å; V870-R874 PolarHBondContact O-N 2.99Å; R874-A876 VanDerWaalsContact C-N 3.34Å; R874-H877 PolarHBondContact O-N 2.85Å; R874-Q878 PolarHBondContact O-N 3.08Å
875	A	64.8	Low	64.2	Low	49 Å²	49	123.4 Å²	123.4	41%	0.405	60%	0.597	S	S	.	*	H	α-helix	trans	-67.9	-31.5	176	0	0	0	0	0	113.1	F871 R872 R879	F871-A875 VanDerWaalsContact O-CB 3.28Å; F871-A875 WeakPolarHBondContact O-CB 3.38Å; F871-A875 PolarHBondContact O-N 2.92Å; R872-A875 PolarHBondContact O-N 3.03Å; A875-R879 PolarHBondContact O-N 2.61Å
876	A	61.6	Low	62.1	Low	61 Å²	61	124 Å²	124	50%	0.504	61%	0.611	S	S	.	*	H	α-helix	trans	-69.4	-46.6	172.1	0	0	0	0	0	111.6	R872 I873 R874 Q878 R879 S880	R872-A876 WeakPolarHBondContact O-CB 3.36Å; R872-A876 PolarHBondContact O-N 3.25Å; I873-A876 PolarHBondContact O-N 2.8Å; R874-A876 VanDerWaalsContact C-N 3.34Å; A876-Q878 VanDerWaalsContact C-N 3.29Å; A876-Q878 PolarHBondContact O-N 2.82Å; A876-R879 PolarHBondContact O-N 2.7Å; A876-S880 PolarHBondContact O-N 3.3Å
877	H	57	Low	59.9	Low	126 Å²	126	121.9 Å²	121.9	58%	0.583	62%	0.616	S	S	*	*	H	α-helix	trans	-59.8	-36.5	175.7	-108.5	-78.3	0	0	0	113.2	I873 R874 R879 S880 M881	I873-H877 PolarHBondContact O-N 3.31Å; R874-H877 PolarHBondContact O-N 2.85Å; H877-R879 VanDerWaalsContact C-N 3.27Å; H877-R879 PolarHBondContact O-N 3.17Å; H877-S880 PolarHBondContact O-N 2.97Å; H877-M881 PolarHBondContact O-N 2.99Å; H877-M881 VanDerWaalsContact O-N 3.1Å
878	Q	56.4	Low	57.9	Low	150 Å²	150	126.9 Å²	126.9	70%	0.701	63%	0.634	S	S	*	*	H	α-helix	trans	-69.6	-18.4	175.6	-78.6	-174	-29.5	0	0	114.4	R874 A876	R874-Q878 PolarHBondContact O-N 3.08Å; A876-Q878 VanDerWaalsContact C-N 3.29Å; A876-Q878 PolarHBondContact O-N 2.82Å
879	R	53.4	Low	55.9	Low	196 Å²	196	131.9 Å²	131.9	74%	0.74	66%	0.656	S	S	*	*	H	α-helix	trans	-80.8	-45.8	169	-72.1	-176.6	176.5	178.5	-1.4	111.2	A875 A876 H877 M881 R882 D883	A875-R879 PolarHBondContact O-N 2.61Å; A876-R879 PolarHBondContact O-N 2.7Å; H877-R879 VanDerWaalsContact C-N 3.27Å; H877-R879 PolarHBondContact O-N 3.17Å; R879-M881 VanDerWaalsContact C-N 3.3Å; R879-M881 PolarHBondContact O-N 2.88Å; R879-R882 PolarHBondContact O-N 2.82Å; R879-D883 PolarHBondContact O-N 3Å
880	S	51.3	Low	53.7	Low	75 Å²	75	137.4 Å²	137.4	52%	0.524	68%	0.678	S	S	.	*	H	α-helix	trans	-57.8	-39	178.2	178.9	0	0	0	0	113.3	A876 H877 R882	A876-S880 PolarHBondContact O-N 3.3Å; H877-S880 PolarHBondContact O-N 2.97Å; S880-R882 VanDerWaalsContact C-N 3.3Å; S880-R882 PolarHBondContact O-N 3.21Å
881	M	47.5	Very low	51.4	Low	129 Å²	129	142.3 Å²	142.3	64%	0.635	70%	0.696	S	S	*	*	H	α-helix	trans	-68.4	-24.5	175.3	-82.7	-77.7	176.6	0	0	114.1	H877 R879	H877-M881 PolarHBondContact O-N 2.99Å; H877-M881 VanDerWaalsContact O-N 3.1Å; R879-M881 VanDerWaalsContact C-N 3.3Å; R879-M881 PolarHBondContact O-N 2.88Å
882	R	45.3	Very low	49.6	Very low	201 Å²	201	143.2 Å²	143.2	76%	0.758	70%	0.704	S	S	*	*	H	α-helix	trans	-88.9	-24.4	-174.9	-173.5	167.5	164.7	131.1	-3.2	113.3	R879 S880	R879-R882 PolarHBondContact O-N 2.82Å; S880-R882 VanDerWaalsContact C-N 3.3Å; S880-R882 PolarHBondContact O-N 3.21Å
883	D	46.5	Very low	47.6	Very low	134 Å²	134	139.6 Å²	139.6	72%	0.717	70%	0.7	S	S	*	*	H	α-helix	trans	-82	-16.3	172.2	-67.9	-29.7	0	0	0	112.4	R879	R879-D883 PolarHBondContact O-N 3Å
884	Q	46.4	Very low	45.7	Very low	154 Å²	154	143.8 Å²	143.8	72%	0.72	71%	0.709	S	S	*	*	S	Bend	trans	-86	-12.1	-179.8	-154.2	166.1	31.4	0	0	114.2
885	E	40.4	Very low	44.2	Very low	181 Å²	181	141 Å²	141	85%	0.846	71%	0.708	S	S	*	*	S	Bend	trans	-100.9	-0.6	-178.3	-152.6	173.1	-157.3	0	0	113.5
886	S	39	Very low	42.7	Very low	109 Å²	109	145.3 Å²	145.3	76%	0.762	72%	0.724	S	S	*	*	S	Bend	trans	-117.2	20.8	-175.7	-171.8	0	0	0	0	114
887	G	37	Very low	41.7	Very low	66 Å²	66	148 Å²	148	68%	0.68	74%	0.739	S	S	*	*			trans	-124.8	27.5	-168.7	0	0	0	0	0	116.2
888	K	40.8	Very low	40.6	Very low	203 Å²	203	146.2 Å²	146.2	88%	0.883	75%	0.746	S	S	*	*			trans	-129.3	82.1	174.4	-88.5	-175	174	174.1	0	111.9
889	E	36.9	Very low	39.8	Very low	183 Å²	183	147.2 Å²	147.2	86%	0.855	76%	0.755	S	S	*	*			trans	-171.4	144.7	147.4	-107.1	163.7	-147.9	0	0	108.7
890	N	32.4	Very low	38.9	Very low	147 Å²	147	143.7 Å²	143.7	79%	0.786	76%	0.756	S	S	*	*			trans	67.2	145.8	-178.6	-59.9	0.1	0	0	0	116.6
891	E	32.2	Very low	38.2	Very low	174 Å²	174	147.3 Å²	147.3	81%	0.813	77%	0.767	S	S	*	*			cis	-159.4	177.9	-23.7	-163.4	162.4	-174.3	0	0	107.2
892	M	37.9	Very low	37.6	Very low	172 Å²	172	147.6 Å²	147.6	85%	0.847	78%	0.777	S	S	*	*			trans	-64.5	161.1	179.6	-60.8	161.5	176.2	0	0	112.7
893	D	32.4	Very low	37.1	Very low	130 Å²	130	144.1 Å²	144.1	70%	0.695	78%	0.778	S	S	*	*				162.3	150.2	95.7	-133.2	3.5	0	0	0	115.4
894	W	34.3	Very low	36.3	Very low	199 Å²	199	145.4 Å²	145.4	75%	0.754	78%	0.784	S	S	*	*			trans	59.5	108.2	165.1	-60.2	92.1	0	0	0	125.7
895	D	34.7	Very low	36	Very low	122 Å²	122	143 Å²	143	65%	0.652	78%	0.783	S	S	*	*				59.9	136.3	115.9	-80.7	4.1	0	0	0	128.3
896	D	34.3	Very low	35.4	Very low	140 Å²	140	142.6 Å²	142.6	75%	0.749	78%	0.783	S	S	*	*			trans	50.5	115.6	139.5	-79.1	-7.5	0	0	0	123.5
897	S	38.8	Very low	35.2	Very low	118 Å²	118	146.8 Å²	146.8	83%	0.825	79%	0.79	S	S	*	*				-179.4	143.6	97.2	-78.6	0	0	0	0	114.9
898	A	34.9	Very low	34.9	Very low	88 Å²	88	149.2 Å²	149.2	73%	0.727	79%	0.792	S	S	*	*			trans	-25.8	148.5	172.6	0	0	0	0	0	120.4
899	L	39.8	Very low	34.6	Very low	171 Å²	171	150 Å²	150	90%	0.895	79%	0.791	S	S	*	*				-168	162.9	103.8	-101.4	163	0	0	0	114.7
900	T	33.7	Very low	34.4	Very low	121 Å²	121	150.1 Å²	150.1	74%	0.742	79%	0.791	S	S	*	*			trans	-89.3	142.1	-159.1	-39.7	0	0	0	0	114
901	I	37.7	Very low	34.4	Very low	151 Å²	151	150.4 Å²	150.4	77%	0.774	79%	0.793	S	S	*	*			trans	-71.6	137	168.7	-65.4	167	0	0	0	110.2
902	T	34.5	Very low	34.6	Very low	136 Å²	136	150.1 Å²	150.1	83%	0.834	79%	0.792	S	S	*	*			trans	-135.6	140.1	158.3	-14.7	0	0	0	0	110.2
903	V	34.5	Very low	34.4	Very low	128 Å²	128	150.5 Å²	150.5	78%	0.776	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-93.9	141.8	-171.7	-174.5	0	0	0	0	109.7
904	N	28.8	Very low	34.5	Very low	160 Å²	160	149.2 Å²	149.2	86%	0.856	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-101.5	123	178.3	-149.9	32.1	0	0	0	110.7
905	P	41.7	Very low	34.6	Very low	105 Å²	105	145.2 Å²	145.2	68%	0.682	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-99	130.6	179.4	34.9	-30.1	0	0	0	113.5
906	M	27.6	Very low	34.5	Very low	172 Å²	172	152.4 Å²	152.4	85%	0.847	82%	0.824	S	S	*	*			trans	14.1	112.8	139.3	-163.5	171.1	76.1	0	0	118.1
907	E	33.6	Very low	34.5	Very low	196 Å²	196	153.1 Å²	153.1	92%	0.916	83%	0.828	S	S	*	*			trans	-88.5	146.3	163	-75.6	-175.7	145	0	0	111.5
908	T	31.4	Very low	34.2	Very low	118 Å²	118	154.9 Å²	154.9	72%	0.724	83%	0.828	S	S	*	*			trans	-122.7	146.9	177.4	47.1	0	0	0	0	110.9
909	Y	34.7	Very low	34.2	Very low	220 Å²	220	158.6 Å²	158.6	86%	0.863	83%	0.834	S	S	*	*			trans	-39.7	141.6	173.1	-72.9	-99.7	0	0	0	116.1
910	E	32.6	Very low	33.9	Very low	184 Å²	184	157.9 Å²	157.9	86%	0.86	83%	0.83	S	S	*	*			trans	-157	121.6	136.8	-121.8	178.1	-158.5	0	0	111.1
911	D	31.9	Very low	33.9	Very low	153 Å²	153	160.2 Å²	160.2	82%	0.818	84%	0.836	S	S	*	*			trans	-90.8	141.1	173.3	-91.8	-50.5	0	0	0	111.3
912	Q	36.1	Very low	33.6	Very low	169 Å²	169	160.8 Å²	160.8	79%	0.79	84%	0.84	S	S	*	*			trans	-139.2	120.5	163.4	-79.3	-166.9	5.8	0	0	113.2
913	H	35.1	Very low	33.6	Very low	180 Å²	180	162.6 Å²	162.6	83%	0.833	84%	0.84	S	S	*	*			trans	29.7	125.9	141.7	-74.7	-55.2	0	0	0	119
914	S	33.3	Very low	33.5	Very low	102 Å²	102	165.2 Å²	165.2	71%	0.713	85%	0.845	S	S	*	*				166.7	165	69.7	40.7	0	0	0	0	112.3
915	S	36.1	Very low	33.9	Very low	116 Å²	116	165.7 Å²	165.7	81%	0.811	84%	0.844	S	S	*	*			trans	64.5	137.6	175.1	55.3	0	0	0	0	117
916	E	32.4	Very low	33.2	Very low	273 Å²	273	171.2 Å²	171.2	100%	1.276	86%	0.859	S	S	*	*			cis	-115.2	0	2.5	-77.3	-177.9	112.3	0	0	113.2

Retrieved 916 of 916 residues in 184.4 ms (Link to these results)

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