A0A087XBQ0_POEFO Loading...

Phosphofurin acidic cluster sorting protein 1

AlphaFold DB , UniProt , Accession A0A087XBQ0, Species POEFO (Poecilia formosa, Amazon molly), Gene PACS1, Length 906 aa.

						>A0A087XBQ0_POEFO|A0A087XBQ0|PACS1
MSERGGLPRTGGVPSPHMQPSKPVSITSNRPVHMNLYATWEVDRSSPSCVPRLFNLTLKKLIMLKELDKDLTSVVIAVKLQGSKRILRSNEILLSSAGLTETDLQLTFSLQYPHFLKRDANKLQIMLQRRKRYKNRTILGYKTLALGLINMAEVMQHPSEGAQVLGLHSQLKDASVPVAEIRVYSLSSQPIDHEGPKAKMSDRSPDIDNYSEEEEESYSSEQEGSDDPIHGQYLYDEDDEVRKKKPRRKLPPNASSTRQPNIKQKFVALLKRFKVSDEVGFGLEHVSREQIQEVEEDLDELYDSLEMYNPSDSGPEMEETDSILSTPKPKLRPFFEGMSQSSSQTEIGSLNSKGSLGRDTFSPQGELPPLEKMKPSRSRNLDEIPSETDTLELTDQELFAEVGPCITVSVAEKPRTPLKSSKNEMQPIASPRLDGGHTPRQKRSSNTPMKERQLSKPLSERTNSSDSERSPELGHSTPVLRKVVYDQLNQILLSDSALPESLILVNGTDWQGQFVAEQLQGQRHPVVCTCSPAEIQAVLSAVLTRIQKFCNCNSSMPRAVKVVAVGGQSYLGAILQFFVTQLANKTSDWLNHMRFLVVPLGSHPVAKHLGSLDNRYSSSFLDGAWRDVFSRSEPPQTDQLDVSGRISQYISGTSVTHQLPIAEAMLTCKHKTREEESYQKFIPFIGVVKVGLIESASSPTGDPEEGVGVSLAVPSTSPPSHGSPTGMIKEAATPPSSPSMGSVLTVQGSPSMPHGVDAIGLQVDYWLASLADKRREGERRDTGCKNTLKSAFRSLQVSRLPGGGSSDSQTLVNTMAMTVVTKEKNKKVPTIFLGKKPKEKDMDSKSQVIEGISRLICSAKQQQTILKVSIDGVEWNDVKFFQLAAQWPTHVKYLPVGLFGYSKPPS
					

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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	32.9	Very low	35.2	Very low	239 Å²	239	153.7 Å²	153.7	100%	1.177	88%	0.879	S	S	*	*				0	148.7	0	-85.4	176.5	158.1	0	0	108.4
2	S	35.3	Very low	34.6	Very low	129 Å²	129	147 Å²	147	90%	0.902	87%	0.868	S	S	*	*			trans	68.2	148.7	171.5	-54.5	0	0	0	0	118
3	E	37.5	Very low	34.3	Very low	180 Å²	180	146.6 Å²	146.6	84%	0.841	87%	0.867	S	S	*	*			trans	-121.3	-170.2	-172.8	-52.4	175.9	93.5	0	0	112
4	R	39.4	Very low	34.3	Very low	252 Å²	252	144.7 Å²	144.7	95%	0.951	86%	0.861	S	S	*	*			trans	79.6	132	171.6	-51.3	-178.8	178.7	-163.2	-1.1	114.8
5	G	36	Very low	34.4	Very low	84 Å²	84	143 Å²	143	87%	0.866	86%	0.859	S	S	*	*			cis	158.6	131	-9.2	0	0	0	0	0	112.3
6	G	30.2	Very low	34.7	Very low	78 Å²	78	142.1 Å²	142.1	80%	0.804	86%	0.857	S	S	*	*			trans	162.8	139.8	176.9	0	0	0	0	0	114.2
7	L	32.1	Very low	34.4	Very low	168 Å²	168	145.1 Å²	145.1	88%	0.88	86%	0.86	S	S	*	*			trans	-157.3	169.5	-179	-92.8	179.3	0	0	0	107.9
8	P	50.4	Low	34.6	Very low	95 Å²	95	146.7 Å²	146.7	62%	0.617	86%	0.86	S	S	*	*			cis	-137.6	160.8	-7.7	31.8	-11.9	0	0	0	116.7
9	R	32.8	Very low	34.3	Very low	242 Å²	242	148.8 Å²	148.8	91%	0.913	86%	0.86	S	S	*	*			trans	62.7	158.9	150.1	-67	166.9	175.6	-179.4	-2.8	117.2
10	T	31.8	Very low	34.1	Very low	143 Å²	143	147.7 Å²	147.7	88%	0.877	86%	0.858	S	S	*	*			cis	-130.3	170.5	6.3	47.9	0	0	0	0	110.3
11	G	28.6	Very low	33.8	Very low	81 Å²	81	146.2 Å²	146.2	84%	0.835	86%	0.857	S	S	*	*			cis	170.7	172.7	-0.4	0	0	0	0	0	111
12	G	28.2	Very low	33.7	Very low	73 Å²	73	143.8 Å²	143.8	75%	0.753	84%	0.839	S	S	*	*			trans	169.3	143.8	179.3	0	0	0	0	0	111.5
13	V	30.7	Very low	33.5	Very low	142 Å²	142	143.9 Å²	143.9	86%	0.861	84%	0.837	S	S	*	*			trans	-132.8	134.7	-164.9	177.9	0	0	0	0	112.7
14	P	33.9	Very low	33	Very low	120 Å²	120	141.1 Å²	141.1	78%	0.779	83%	0.832	S	S	*	*			trans	-113.4	166.2	151	36.3	-26.9	0	0	0	112.9
15	S	35.9	Very low	32.6	Very low	119 Å²	119	134 Å²	134	83%	0.832	82%	0.821	S	S	*	*			trans	-68.9	155.6	-168	-44.8	0	0	0	0	116.7
16	P	39.4	Very low	32.3	Very low	128 Å²	128	136.8 Å²	136.8	83%	0.831	81%	0.814	S	S	*	*			trans	-108.2	168.5	162.9	38.3	-31.1	0	0	0	114.8
17	H	30.2	Very low	32.5	Very low	194 Å²	194	138 Å²	138	90%	0.898	81%	0.807	S	S	*	*			trans	-70.7	169.5	-172.2	-120.3	-107.7	0	0	0	116.4
18	M	38	Very low	32.9	Very low	174 Å²	174	134.3 Å²	134.3	86%	0.857	79%	0.794	S	S	*	*			trans	-74.6	150.4	171.7	-60	-174.2	76	0	0	113.8
19	Q	27.5	Very low	32.8	Very low	186 Å²	186	137 Å²	137	87%	0.869	80%	0.804	S	S	*	*			trans	-135.6	160	158.7	-97.4	-167.6	-4.4	0	0	110.2
20	P	31	Very low	34	Very low	126 Å²	126	136 Å²	136	82%	0.818	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-76.3	143.6	-162.9	29.4	-35.8	0	0	0	114.3
21	S	28.6	Very low	35.7	Very low	118 Å²	118	132 Å²	132	83%	0.825	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-75.4	136.1	174.3	42	0	0	0	0	112.2
22	K	30.3	Very low	37.8	Very low	187 Å²	187	130 Å²	130	81%	0.813	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-66.6	145.4	167.3	-64.6	179.3	179.1	179.9	0	109.7	V24	K22-V24 PolarHBondContact O-N 2.86Å; K22-V24 VanDerWaalsContact O-N 3.14Å
23	P	30.8	Very low	40.1	Very low	131 Å²	131	131.6 Å²	131.6	85%	0.851	74%	0.736	S	S	*	*			trans	-66.8	113	175	27.5	-33.5	0	0	0	110.2
24	V	27.9	Very low	42.4	Very low	122 Å²	122	125.2 Å²	125.2	74%	0.739	70%	0.697	S	S	*	*			trans	-76.4	122	171.4	177.2	0	0	0	0	108.3	K22 I26	K22-V24 PolarHBondContact O-N 2.86Å; K22-V24 VanDerWaalsContact O-N 3.14Å; V24-I26 HydrophobicContact CG1-CG1 4.2Å; V24-I26 PolarHBondContact O-N 3.14Å; V24-I26 VanDerWaalsContact O-N 3.1Å
25	S	30.5	Very low	44.6	Very low	102 Å²	102	121.1 Å²	121.1	71%	0.713	67%	0.668	S	S	*	*			trans	-70.3	103.5	170.1	-173.3	0	0	0	0	109.3	T27	S25-T27 PolarHBondContact O-N 3.3Å
26	I	29.7	Very low	47.1	Very low	143 Å²	143	116.4 Å²	116.4	73%	0.733	63%	0.633	S	S	*	*			trans	-89.3	85.6	175.5	-55.3	177.4	0	0	0	108.2	V24 S28	V24-I26 HydrophobicContact CG1-CG1 4.2Å; V24-I26 PolarHBondContact O-N 3.14Å; V24-I26 VanDerWaalsContact O-N 3.1Å; I26-S28 PolarHBondContact O-N 3.1Å; I26-S28 VanDerWaalsContact O-N 3.08Å
27	T	34.7	Very low	49.3	Very low	105 Å²	105	116.2 Å²	116.2	64%	0.644	62%	0.617	S	S	*	*			trans	-69.5	99.4	164.8	40.6	0	0	0	0	109	S25 N29	S25-T27 PolarHBondContact O-N 3.3Å; T27-N29 VanDerWaalsContact C-N 3.27Å; T27-N29 PolarHBondContact O-N 3.31Å
28	S	39.1	Very low	51.8	Low	89 Å²	89	108 Å²	108	62%	0.622	58%	0.583	S	S	*	*			trans	-77.1	74.1	-177.5	62.1	0	0	0	0	111.6	I26 R30	I26-S28 PolarHBondContact O-N 3.1Å; I26-S28 VanDerWaalsContact O-N 3.08Å; S28-R30 PolarHBondContact O-N 2.88Å
29	N	49.5	Very low	53.9	Low	152 Å²	152	102.7 Å²	102.7	81%	0.813	56%	0.56	S	S	*	*			trans	-71.3	48.9	174.4	-72.1	21.3	0	0	0	112.3	T27	T27-N29 VanDerWaalsContact C-N 3.27Å; T27-N29 PolarHBondContact O-N 3.31Å
30	R	57.2	Low	56.3	Low	220 Å²	220	94.4 Å²	94.4	83%	0.83	52%	0.521	S	S	*	.	S	Bend	trans	-110.6	126.5	166.4	-69.6	-173.6	177.1	-171.4	-0.7	107.3	S28	S28-R30 PolarHBondContact O-N 2.88Å
31	P	67.9	Low	57.8	Low	61 Å²	61	94.2 Å²	94.2	40%	0.396	51%	0.509	S	S	.	.			trans	-62	145.9	-177.9	26.3	-34.8	0	0	0	110.9	H33 D103	P31-H33 PolarHBondContact O-N 3.08Å; P31-D103 WeakPolarHBondContact CA-O 3.4Å; P31-D103 HydrophobicContact CB-CB 3.99Å
32	V	73.3	Confident	59.3	Low	39 Å²	39	89.1 Å²	89.1	24%	0.236	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	98.2	177.5	-174.1	0	0	0	0	108.7	I92 T102 D103 L104 Q105 L106	V32-I92 HydrophobicContact CG1-CG1 4.33Å; V32-I92 HydrophobicContact CG2-CG2 4.38Å; V32-T102 HydrophobicContact CG2-CG2 4.14Å; V32-D103 PolarHBondContact N-O 2.79Å; V32-L104 HydrophobicContact CB-CD2 4.03Å; V32-L104 HydrophobicContact CG2-CD2 4.35Å; V32-Q105 CarbonylContact O-C 3.46Å; V32-Q105 PolarHBondContact O-N 2.81Å; V32-L106 HydrophobicContact CG1-CD2 4.21Å; V32-L106 WeakPolarHBondContact O-CD2 3.32Å
33	H	75.8	Confident	60.1	Low	105 Å²	105	87 Å²	87	49%	0.486	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.8	179.7	174.8	-107.2	0	0	0	112.4	P31 Q105	P31-H33 PolarHBondContact O-N 3.08Å; H33-Q105 WeakPolarHBondContact CA-O 3.23Å; H33-Q105 HydrophobicContact CB-CB 4.08Å; H33-Q105 VanDerWaalsContact CD2-CD 3.45Å; H33-Q105 PolarHBondContact CD2-O 3.5Å
34	M	79.8	Confident	61	Low	8 Å²	8	92.4 Å²	92.4	4%	0.039	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	136.1	175	169.3	-157	60.8	0	0	109.9	L36 S89 Q105 L106 T107	M34-L36 HydrophobicContact CE-CD1 3.4Å; M34-L36 VanDerWaalsContact CE-CD1 3.4Å; M34-L36 HydrophobicContact CE-CD2 4.34Å; M34-L36 HydrophobicContact CE-CG 3.68Å; M34-L36 HydrophobicContact CG-CD2 4.32Å; M34-L36 HydrophobicContact CG-CG 4.19Å; M34-L36 HydrophobicContact SD-CD1 3.97Å; M34-L36 HydrophobicContact SD-CD2 3.83Å; M34-L36 HydrophobicContact SD-CG 3.82Å; M34-S89 VanDerWaalsContact CE-CA 3.46Å; M34-S89 VanDerWaalsContact CE-CB 3.45Å; M34-Q105 PolarHBondContact N-O 2.82Å; M34-L106 HydrophobicContact CB-CD2 3.84Å; M34-L106 HydrophobicContact CE-CD1 4.32Å; M34-L106 HydrophobicContact CE-CD2 3.49Å; M34-L106 VanDerWaalsContact CE-CD2 3.49Å; M34-L106 HydrophobicContact CE-CG 4.4Å; M34-L106 WeakPolarHBondContact O-CA 3.5Å; M34-T107 PolarHBondContact O-N 2.88Å; M34-T107 VanDerWaalsContact O-N 3.07Å
35	N	80.1	Confident	62.1	Low	35 Å²	35	89.7 Å²	89.7	19%	0.187	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	139.5	171.9	-60.6	-26	0	0	0	109.8	Y37 T107	N35-Y37 HydrophobicContact CB-CE2 3.72Å; N35-T107 CarbonylContact C-O 3.53Å; N35-T107 WeakPolarHBondContact CA-O 3.36Å; N35-T107 WeakPolarHBondContact OD1-CB 3.12Å; N35-T107 PolarHBondContact OD1-OG1 2.89Å
36	L	87.4	Confident	63.4	Low	19 Å²	19	86.8 Å²	86.8	10%	0.099	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.9	-175.6	-73.3	174.8	0	0	0	110.9	M34 L87 R88 T107 F108 S109	M34-L36 HydrophobicContact CE-CD1 3.4Å; M34-L36 VanDerWaalsContact CE-CD1 3.4Å; M34-L36 HydrophobicContact CE-CD2 4.34Å; M34-L36 HydrophobicContact CE-CG 3.68Å; M34-L36 HydrophobicContact CG-CD2 4.32Å; M34-L36 HydrophobicContact CG-CG 4.19Å; M34-L36 HydrophobicContact SD-CD1 3.97Å; M34-L36 HydrophobicContact SD-CD2 3.83Å; M34-L36 HydrophobicContact SD-CG 3.82Å; L36-L87 HydrophobicContact CB-CD1 4.37Å; L36-L87 HydrophobicContact CB-CD2 4.34Å; L36-R88 WeakPolarHBondContact CD1-O 3.37Å; L36-T107 PolarHBondContact N-O 3.43Å; L36-F108 HydrophobicContact CB-CD1 4.14Å; L36-F108 HydrophobicContact CD1-CD1 3.75Å; L36-F108 HydrophobicContact CD1-CE1 3.34Å; L36-F108 HydrophobicContact CD1-CZ 3.99Å; L36-F108 WeakPolarHBondContact O-CA 3.36Å; L36-S109 PolarHBondContact O-N 2.8Å
37	Y	86.4	Confident	64.9	Low	125 Å²	125	86.7 Å²	86.7	49%	0.49	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.9	-176.2	-58.8	-88	0	0	0	110.9	N35 S109	N35-Y37 HydrophobicContact CB-CE2 3.72Å; Y37-S109 VanDerWaalsContact CA-O 3.3Å; Y37-S109 WeakPolarHBondContact CA-O 3.39Å
38	A	83.5	Confident	66.8	Low	21 Å²	21	83 Å²	83	17%	0.174	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	145.9	169.5	0	0	0	0	0	113.4	L87 S109 L110 Q111	A38-L87 HydrophobicContact CB-CD1 3.84Å; A38-L87 HydrophobicContact CB-CD2 4.02Å; A38-L87 HydrophobicContact CB-CG 3.97Å; A38-S109 PolarHBondContact N-O 2.8Å; A38-L110 CarbonylContact O-C 3.57Å; A38-L110 WeakPolarHBondContact O-CA 3.34Å; A38-Q111 PolarHBondContact O-N 2.66Å
39	T	80.6	Confident	68.9	Low	63 Å²	63	79.5 Å²	79.5	39%	0.387	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.2	160.3	-55.2	0	0	0	0	109.1	V42 R85 Q111	T39-V42 HydrophobicContact CG2-CG2 4.34Å; T39-R85 PolarHBondContact O-NH1 3.49Å; T39-Q111 HydrophobicContact CG2-CB 4.23Å; T39-Q111 VanDerWaalsContact CG2-OE1 3.29Å; T39-Q111 PolarHBondContact OG1-OE1 2.92Å
40	W	77.4	Confident	70.7	Confident	11 Å²	11	74.8 Å²	74.8	4%	0.042	38%	0.379	C	S	.	.			trans	-108.2	94	176.3	-66.6	-11.9	0	0	0	109.8	V42 V78 L80 R85 L87 L110 Q111 P113 L123	W40-V42 PolarHBondContact O-N 3.27Å; W40-V78 HydrophobicContact CH2-CG1 4.45Å; W40-L80 HydrophobicContact CE3-CB 3.87Å; W40-L80 HydrophobicContact CZ3-CB 3.62Å; W40-L80 VanDerWaalsContact CZ3-N 3.31Å; W40-R85 HydrophobicContact CD2-CB 4.5Å; W40-R85 HydrophobicContact CG-CB 4.21Å; W40-L87 HydrophobicContact CZ2-CD1 4.47Å; W40-L87 HydrophobicContact CZ2-CG 4.29Å; W40-L110 HydrophobicContact CE3-CD1 4.01Å; W40-L110 HydrophobicContact CH2-CD2 4.01Å; W40-L110 HydrophobicContact CZ3-CD1 3.79Å; W40-L110 HydrophobicContact CZ3-CD2 4.05Å; W40-L110 HydrophobicContact CZ3-CG 4.35Å; W40-Q111 WeakPolarHBondContact CB-O 3.49Å; W40-Q111 PolarHBondContact N-O 3.38Å; W40-P113 VanDerWaalsContact O-CD 3.27Å; W40-P113 WeakPolarHBondContact O-CD 3.26Å; W40-L123 HydrophobicContact CH2-CD1 4.2Å; W40-L123 HydrophobicContact CZ3-CD1 3.95Å
41	E	63.2	Low	72.2	Confident	122 Å²	122	65.1 Å²	65.1	57%	0.57	35%	0.345	S	S	*	.			trans	35	72	166.3	-79.6	157.8	-124.2	0	0	115.1	R85	E41-R85 IonicContact OE1-CZ 3.92Å; E41-R85 IonicContact OE1-NE 2.67Å; E41-R85 PolarHBondContact OE1-NE 3.34Å; E41-R85 IonicContact OE1-NH2 3.72Å; E41-R85 PolarHBondContact OE1-NH2 2.89Å
42	V	60	Low	73.3	Confident	12 Å²	12	63.8 Å²	63.8	7%	0.073	33%	0.332	C	S	.	.			trans	-81.6	-27.6	169.1	176.4	0	0	0	0	110.7	T39 W40 R44 S45 P51	T39-V42 HydrophobicContact CG2-CG2 4.34Å; W40-V42 PolarHBondContact O-N 3.27Å; V42-R44 PolarHBondContact O-N 2.78Å; V42-S45 PolarHBondContact O-N 2.99Å; V42-P51 HydrophobicContact CG1-CB 3.76Å; V42-P51 HydrophobicContact CG1-CG 3.73Å; V42-P51 HydrophobicContact CG2-CB 4.47Å
43	D	46.8	Very low	74.2	Confident	143 Å²	143	64.1 Å²	64.1	77%	0.765	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	4.9	-164.3	-40.4	-79.2	0	0	0	115.7
44	R	50.7	Low	74.9	Confident	243 Å²	243	59.1 Å²	59.1	92%	0.917	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.7	46.9	169.8	-65.5	-167.7	-177.6	-157.9	0.4	111	V42 S46	V42-R44 PolarHBondContact O-N 2.78Å; R44-S46 PolarHBondContact O-N 2.86Å
45	S	50.8	Low	75.5	Confident	66 Å²	66	60.7 Å²	60.7	46%	0.462	32%	0.318	S	S	.	.			trans	-60.1	100.1	174.1	56.5	0	0	0	0	111.1	V42	V42-S45 PolarHBondContact O-N 2.99Å
46	S	58.5	Low	76.1	Confident	41 Å²	41	59 Å²	59	29%	0.287	31%	0.309	S	S	.	.			trans	-53.4	150.4	160.8	68.3	0	0	0	0	109.4	R44 S48 C49	R44-S46 PolarHBondContact O-N 2.86Å; S46-S48 PolarHBondContact O-N 2.96Å; S46-S48 PolarHBondContact OG-OG 3.17Å; S46-C49 PolarHBondContact O-N 3.33Å; S46-C49 VanDerWaalsContact O-N 3.1Å; S46-C49 PolarHBondContact O-SG 3.25Å; S46-C49 VanDerWaalsContact O-SG 3.35Å
47	P	60.7	Low	76.4	Confident	141 Å²	141	59.3 Å²	59.3	92%	0.916	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	7.3	177	26.9	-35.7	0	0	0	114.6
48	S	74.6	Confident	76.8	Confident	26 Å²	26	53.4 Å²	53.4	18%	0.182	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	2.9	173.3	75.3	0	0	0	0	114.7	S46 F115 L116	S46-S48 PolarHBondContact O-N 2.96Å; S46-S48 PolarHBondContact OG-OG 3.17Å; S48-F115 CarbonylContact O-C 3.56Å; S48-F115 WeakPolarHBondContact O-CA 3.31Å; S48-L116 PolarHBondContact O-N 2.8Å
49	C	83.3	Confident	77.1	Confident	16 Å²	16	57 Å²	57	11%	0.108	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	149.6	177.2	56.8	0	0	0	0	114.8	S46 P113 H114 F115	S46-C49 PolarHBondContact O-N 3.33Å; S46-C49 VanDerWaalsContact O-N 3.1Å; S46-C49 PolarHBondContact O-SG 3.25Å; S46-C49 VanDerWaalsContact O-SG 3.35Å; C49-P113 HydrophobicContact CB-CB 3.95Å; C49-H114 CarbonylContact C-O 3.52Å; C49-H114 WeakPolarHBondContact CA-O 3.5Å; C49-H114 WeakPolarHBondContact CB-O 3.34Å; C49-F115 HydrophobicContact CB-CD1 3.64Å; C49-F115 HydrophobicContact CB-CE1 3.91Å; C49-F115 HydrophobicContact CB-CG 4.17Å
50	V	87.1	Confident	77.7	Confident	53 Å²	53	55.7 Å²	55.7	32%	0.321	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.4	175.7	178.9	0	0	0	0	108.8	R52 H114 L116	V50-R52 HydrophobicContact CG1-CG 4.1Å; V50-R52 PolarHBondContact O-N 3.5Å; V50-H114 PolarHBondContact N-O 2.97Å; V50-H114 PolarHBondContact O-N 3.14Å; V50-L116 HydrophobicContact CG2-CD1 4.14Å; V50-L116 HydrophobicContact CG2-CD2 4.01Å; V50-L116 HydrophobicContact CG2-CG 4.23Å
51	P	88.8	Confident	78.5	Confident	18 Å²	18	55.2 Å²	55.2	12%	0.117	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	127.9	171.6	-23.8	37.1	0	0	0	111.5	V42 I191	V42-P51 HydrophobicContact CG1-CB 3.76Å; V42-P51 HydrophobicContact CG1-CG 3.73Å; V42-P51 HydrophobicContact CG2-CB 4.47Å; P51-I191 HydrophobicContact CB-CB 4.24Å; P51-I191 HydrophobicContact CB-CD1 4.37Å; P51-I191 PolarHBondContact O-N 2.78Å
52	R	90.4	Very high	79.9	Confident	32 Å²	32	50.2 Å²	50.2	12%	0.121	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	147.6	-177.9	-59.4	-164.8	119.3	-109.2	5	112	V50 Q111 Y112 H114 M155 S188 Q189	V50-R52 HydrophobicContact CG1-CG 4.1Å; V50-R52 PolarHBondContact O-N 3.5Å; R52-Q111 CarbonylContact O-C 3.55Å; R52-Q111 VanDerWaalsContact O-CA 3.31Å; R52-Q111 WeakPolarHBondContact O-CA 3.39Å; R52-Y112 HydrophobicContact CB-CD1 4.21Å; R52-Y112 HydrophobicContact CB-CE1 3.6Å; R52-Y112 PolarHBondContact N-O 3.32Å; R52-Y112 WeakPolarHBondContact O-CD1 3.46Å; R52-Y112 PolarHBondContact O-N 2.85Å; R52-H114 HydrophobicContact CG-CB 4.03Å; R52-M155 VanDerWaalsContact CD-SD 3.51Å; R52-M155 VanDerWaalsContact CZ-SD 3.55Å; R52-S188 PolarHBondContact NH1-O 3.48Å; R52-S188 PolarHBondContact NH1-OG 2.76Å; R52-Q189 CarbonylContact C-O 3.57Å; R52-Q189 WeakPolarHBondContact CA-O 3.1Å; R52-Q189 VanDerWaalsContact CB-O 3.27Å; R52-Q189 WeakPolarHBondContact CB-O 3.49Å
53	L	91.6	Very high	81.4	Confident	46 Å²	46	49.9 Å²	49.9	24%	0.241	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.7	170.1	174.6	63.8	0	0	0	108.7	Q111 S188 Q189 I191	L53-Q111 HydrophobicContact CD1-CG 3.92Å; L53-S188 WeakPolarHBondContact O-CA 3.43Å; L53-Q189 PolarHBondContact N-O 2.76Å; L53-Q189 PolarHBondContact O-N 3.08Å; L53-I191 HydrophobicContact CB-CD1 4.36Å; L53-I191 HydrophobicContact CB-CG1 4.11Å
54	F	92.2	Very high	83.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	139.4	173	167.9	-92.3	0	0	0	111.3	L56 S109 L110 Y112 L123 M151 V154 L186 S187	F54-L56 HydrophobicContact CD1-CB 4.29Å; F54-L56 HydrophobicContact CE1-CB 3.4Å; F54-L56 VanDerWaalsContact CE1-CB 3.4Å; F54-L56 HydrophobicContact CE1-CD2 4.07Å; F54-L56 HydrophobicContact CE1-CG 4.28Å; F54-L56 HydrophobicContact CZ-CB 3.67Å; F54-L56 HydrophobicContact CZ-CD1 4.32Å; F54-L56 HydrophobicContact CZ-CD2 4.21Å; F54-L56 HydrophobicContact CZ-CG 4.3Å; F54-S109 CarbonylContact O-C 3.59Å; F54-S109 WeakPolarHBondContact O-CA 3.4Å; F54-L110 HydrophobicContact CB-CD1 4.07Å; F54-L110 HydrophobicContact CB-CG 4.2Å; F54-L110 HydrophobicContact CD1-CD1 4.18Å; F54-L110 HydrophobicContact CD1-CD2 3.74Å; F54-L110 HydrophobicContact CD1-CG 3.79Å; F54-L110 HydrophobicContact CE1-CD2 4.18Å; F54-L110 HydrophobicContact CG-CG 4.48Å; F54-L110 PolarHBondContact N-O 2.71Å; F54-L110 PolarHBondContact O-N 3.02Å; F54-Y112 HydrophobicContact CB-CD1 4.06Å; F54-Y112 HydrophobicContact CB-CE1 3.58Å; F54-L123 HydrophobicContact CD1-CD2 4.16Å; F54-L123 HydrophobicContact CE1-CD2 3.32Å; F54-L123 HydrophobicContact CZ-CD2 3.61Å; F54-M151 HydrophobicContact CB-CE 3.58Å; F54-M151 HydrophobicContact CD1-CE 3.82Å; F54-M151 HydrophobicContact CD2-CE 3.32Å; F54-M151 HydrophobicContact CD2-SD 3.77Å; F54-M151 HydrophobicContact CE1-CE 4.21Å; F54-M151 HydrophobicContact CE1-SD 4.44Å; F54-M151 HydrophobicContact CE2-CE 3.79Å; F54-M151 HydrophobicContact CE2-SD 3.61Å; F54-M151 HydrophobicContact CG-CE 3.32Å; F54-M151 HydrophobicContact CG-SD 4.27Å; F54-M151 HydrophobicContact CZ-CE 4.19Å; F54-M151 HydrophobicContact CZ-SD 3.94Å; F54-V154 HydrophobicContact CD2-CG1 4.13Å; F54-V154 HydrophobicContact CE2-CG1 4.05Å; F54-V154 HydrophobicContact CE2-CG2 4.4Å; F54-L186 HydrophobicContact CE2-CB 4.43Å; F54-S187 CarbonylContact C-O 3.55Å; F54-S187 WeakPolarHBondContact CA-O 3.41Å; F54-S187 WeakPolarHBondContact CD2-O 3.31Å
55	N	91.8	Very high	85	Confident	41 Å²	41	39.6 Å²	39.6	22%	0.219	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.8	173.9	-61.3	-73.3	0	0	0	109.9	F108 S109 L186 S187	N55-F108 CarbonylContact C-O 3.59Å; N55-F108 WeakPolarHBondContact CA-O 3.16Å; N55-S109 WeakPolarHBondContact OD1-CB 3.24Å; N55-S109 PolarHBondContact OD1-OG 3.44Å; N55-L186 WeakPolarHBondContact O-CA 3.37Å; N55-S187 PolarHBondContact N-O 2.96Å; N55-S187 PolarHBondContact O-N 2.72Å
56	L	93.3	Very high	86.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	120.9	-179.1	171.8	68.5	0	0	0	110.3	F54 L58 T107 F108 L123 I125 I149 V183 L186	F54-L56 HydrophobicContact CD1-CB 4.29Å; F54-L56 HydrophobicContact CE1-CB 3.4Å; F54-L56 VanDerWaalsContact CE1-CB 3.4Å; F54-L56 HydrophobicContact CE1-CD2 4.07Å; F54-L56 HydrophobicContact CE1-CG 4.28Å; F54-L56 HydrophobicContact CZ-CB 3.67Å; F54-L56 HydrophobicContact CZ-CD1 4.32Å; F54-L56 HydrophobicContact CZ-CD2 4.21Å; F54-L56 HydrophobicContact CZ-CG 4.3Å; L56-L58 HydrophobicContact CD1-CD2 3.77Å; L56-L58 HydrophobicContact CD2-CD2 4.05Å; L56-L58 HydrophobicContact CG-CD2 3.71Å; L56-L58 HydrophobicContact CG-CG 4.45Å; L56-T107 CarbonylContact O-C 3.52Å; L56-T107 WeakPolarHBondContact O-CA 3.43Å; L56-F108 HydrophobicContact CB-CB 4.37Å; L56-F108 PolarHBondContact N-O 2.85Å; L56-F108 PolarHBondContact O-N 2.8Å; L56-L123 HydrophobicContact CD2-CD2 4.49Å; L56-I125 HydrophobicContact CD2-CD1 3.76Å; L56-I149 HydrophobicContact CD1-CD1 4.12Å; L56-I149 HydrophobicContact CD2-CD1 4.21Å; L56-V183 HydrophobicContact CD1-CB 4.43Å; L56-V183 HydrophobicContact CD1-CG1 3.49Å; L56-V183 VanDerWaalsContact CD1-CG1 3.49Å; L56-V183 HydrophobicContact CD1-CG2 4.11Å; L56-L186 HydrophobicContact CD1-CB 4.1Å
57	T	92.6	Very high	87.5	Confident	26 Å²	26	42.3 Å²	42.3	16%	0.16	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.3	178.3	-47.9	0	0	0	0	110.4	L106 Y184 S185	T57-L106 CarbonylContact C-O 3.57Å; T57-L106 WeakPolarHBondContact CA-O 3.11Å; T57-Y184 HydrophobicContact CG2-CD1 4.28Å; T57-Y184 PolarHBondContact O-N 3.44Å; T57-S185 WeakPolarHBondContact CB-OG 3.5Å; T57-S185 PolarHBondContact N-O 3.37Å; T57-S185 PolarHBondContact OG1-OG 3.05Å
58	L	93.9	Very high	88.4	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.9	178	-44.5	-178	0	0	0	110	L56 I76 L104 L106 F108 I181 V183	L56-L58 HydrophobicContact CD1-CD2 3.77Å; L56-L58 HydrophobicContact CD2-CD2 4.05Å; L56-L58 HydrophobicContact CG-CD2 3.71Å; L56-L58 HydrophobicContact CG-CG 4.45Å; L58-I76 HydrophobicContact CD1-CD1 4.44Å; L58-I76 HydrophobicContact CD1-CG2 4.06Å; L58-L104 HydrophobicContact CB-CD1 4.02Å; L58-L104 CarbonylContact O-C 3.58Å; L58-L104 WeakPolarHBondContact O-CB 3.42Å; L58-L106 HydrophobicContact CB-CB 4.26Å; L58-L106 PolarHBondContact N-O 2.85Å; L58-L106 PolarHBondContact O-N 3.11Å; L58-L106 VanDerWaalsContact O-N 3.12Å; L58-F108 HydrophobicContact CD1-CD2 4.36Å; L58-F108 HydrophobicContact CD1-CE2 3.68Å; L58-F108 HydrophobicContact CG-CD2 4.48Å; L58-F108 HydrophobicContact CG-CE2 4.19Å; L58-I181 HydrophobicContact CB-CG2 4.06Å; L58-I181 HydrophobicContact CD1-CD1 4.36Å; L58-I181 HydrophobicContact CD1-CG2 3.94Å; L58-I181 HydrophobicContact CD2-CG2 3.7Å; L58-I181 HydrophobicContact CG-CG2 4.11Å; L58-V183 HydrophobicContact CD2-CG2 3.9Å
59	K	91.4	Very high	88.2	Confident	95 Å²	95	47.1 Å²	47.1	41%	0.413	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-17.9	-177.6	-85.7	-169	179.5	172.4	0	115.9	L104 R182 Y184	K59-L104 CarbonylContact C-O 3.58Å; K59-L104 WeakPolarHBondContact CA-O 3.49Å; K59-L104 PolarHBondContact O-N 3.49Å; K59-R182 PolarHBondContact N-O 2.89Å; K59-Y184 HydrophobicContact CD-CD1 4.38Å; K59-Y184 HydrophobicContact CD-CD2 3.65Å; K59-Y184 HydrophobicContact CD-CE2 4.41Å; K59-Y184 HydrophobicContact CD-CG 3.62Å; K59-Y184 VanDerWaalsContact CE-CG 3.41Å; K59-Y184 HydrophobicContact CG-CG 4.18Å; K59-Y184 VanDerWaalsContact NZ-CZ 3.31Å
60	K	92.8	Very high	87.8	Confident	37 Å²	37	53.6 Å²	53.6	16%	0.161	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	144.6	176.6	-147.7	171.7	-168.2	-170	0	112	I62 E101 D103 I181 R182	K60-I62 HydrophobicContact CD-CD1 4.42Å; K60-I62 HydrophobicContact CD-CG1 4.27Å; K60-I62 HydrophobicContact CG-CG1 4.32Å; K60-E101 WeakPolarHBondContact CE-OE1 3.24Å; K60-E101 IonicContact NZ-OE1 2.86Å; K60-E101 PolarHBondContact NZ-OE1 2.84Å; K60-E101 IonicContact NZ-OE2 2.77Å; K60-E101 PolarHBondContact NZ-OE2 2.85Å; K60-D103 VanDerWaalsContact CE-OD1 3.24Å; K60-D103 WeakPolarHBondContact CE-OD1 3.39Å; K60-I181 CarbonylContact O-C 3.13Å; K60-I181 WeakPolarHBondContact O-CA 3.38Å; K60-R182 HydrophobicContact CB-CB 3.98Å; K60-R182 HydrophobicContact CB-CG 4.1Å; K60-R182 PolarHBondContact O-N 2.89Å
61	L	93.9	Very high	87.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.5	162.2	174.5	66.6	0	0	0	107.7	M63 V74 T102 L104 L127 A179 I181	L61-M63 HydrophobicContact CD1-SD 4.32Å; L61-M63 HydrophobicContact CD2-SD 4.27Å; L61-M63 HydrophobicContact CG-SD 4.29Å; L61-V74 HydrophobicContact CD2-CG2 4.28Å; L61-T102 PolarHBondContact N-O 2.82Å; L61-T102 PolarHBondContact O-N 2.96Å; L61-L104 HydrophobicContact CB-CD1 4.06Å; L61-L104 HydrophobicContact CB-CG 4.38Å; L61-L127 HydrophobicContact CD1-CD1 4.4Å; L61-L127 HydrophobicContact CD2-CD1 4.23Å; L61-A179 HydrophobicContact CD1-CB 4Å; L61-I181 HydrophobicContact CD1-CD1 4.3Å; L61-I181 HydrophobicContact CD1-CG1 3.77Å
62	I	92.4	Very high	87.4	Confident	18 Å²	18	55.4 Å²	55.4	9%	0.092	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117.9	176.9	-57.2	176	0	0	0	106.8	K60 L64 E101 A179 E180	K60-I62 HydrophobicContact CD-CD1 4.42Å; K60-I62 HydrophobicContact CD-CG1 4.27Å; K60-I62 HydrophobicContact CG-CG1 4.32Å; I62-L64 HydrophobicContact CG2-CD2 4.12Å; I62-E101 WeakPolarHBondContact CD1-OE1 3.2Å; I62-E101 HydrophobicContact CG1-CG 4.22Å; I62-E101 HydrophobicContact CG2-CG 4.27Å; I62-A179 CarbonylContact O-C 3.42Å; I62-A179 WeakPolarHBondContact O-CA 3.35Å; I62-A179 VanDerWaalsContact O-CB 3.3Å; I62-A179 WeakPolarHBondContact O-CB 3.44Å; I62-E180 HydrophobicContact CB-CB 4.31Å; I62-E180 PolarHBondContact N-O 2.88Å; I62-E180 PolarHBondContact O-N 3.02Å
63	M	91.3	Very high	87.3	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.025	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	118.1	174.8	-64.4	-55.1	-49.7	0	0	109.6	L61 L67 L94 L99 T100 L127 V178 A179	L61-M63 HydrophobicContact CD1-SD 4.32Å; L61-M63 HydrophobicContact CD2-SD 4.27Å; L61-M63 HydrophobicContact CG-SD 4.29Å; M63-L67 HydrophobicContact CE-CD1 3.47Å; M63-L67 VanDerWaalsContact CE-CD1 3.47Å; M63-L67 HydrophobicContact CE-CG 4.12Å; M63-L94 HydrophobicContact CG-CD2 4.2Å; M63-L99 WeakPolarHBondContact O-CA 3.33Å; M63-L99 VanDerWaalsContact O-CD2 3.26Å; M63-L99 WeakPolarHBondContact O-CD2 3.11Å; M63-T100 WeakPolarHBondContact CG-OG1 3.25Å; M63-T100 PolarHBondContact N-O 2.88Å; M63-L127 HydrophobicContact CE-CD2 3.87Å; M63-L127 HydrophobicContact SD-CD2 3.88Å; M63-V178 HydrophobicContact CE-CG1 3.96Å; M63-A179 HydrophobicContact CE-CB 4.01Å; M63-A179 HydrophobicContact SD-CB 3.8Å
64	L	89.4	Confident	87.3	Confident	70 Å²	70	52.2 Å²	52.2	37%	0.366	26%	0.259	S	S	.	.			trans	-91.3	-18.7	178.6	-62.3	-177.9	0	0	0	113.1	I62 L99 P177 V178 E180	I62-L64 HydrophobicContact CG2-CD2 4.12Å; L64-L99 WeakPolarHBondContact O-CD2 3.36Å; L64-P177 HydrophobicContact CD1-CB 4.21Å; L64-V178 PolarHBondContact N-O 2.96Å; L64-E180 HydrophobicContact CD1-CG 3.9Å; L64-E180 HydrophobicContact CG-CG 4.45Å
65	K	84.7	Confident	87.4	Confident	100 Å²	100	52.4 Å²	52.4	44%	0.435	26%	0.26	S	S	.	.	S	Bend	trans	-133.4	136.3	-178.1	-173.6	172.8	177.4	170.8	0	111.1	V176 V178	K65-V176 HydrophobicContact CD-CG1 4.38Å; K65-V178 PolarHBondContact N-O 3.28Å; K65-V178 VanDerWaalsContact N-O 3.11Å
66	E	80	Confident	87.7	Confident	128 Å²	128	50.4 Å²	50.4	60%	0.598	25%	0.25	S	C	*	.			trans	-63.4	134.7	169.6	-165.3	-176	151.9	0	0	110.1
67	L	81.4	Confident	87.8	Confident	35 Å²	35	50.4 Å²	50.4	18%	0.183	25%	0.25	C	C	.	.			trans	-104.9	174.7	-179.9	-67	171.7	0	0	0	110.1	M63 K69 L71 L144 V178	M63-L67 HydrophobicContact CE-CD1 3.47Å; M63-L67 VanDerWaalsContact CE-CD1 3.47Å; M63-L67 HydrophobicContact CE-CG 4.12Å; L67-K69 PolarHBondContact O-N 2.85Å; L67-L71 HydrophobicContact CB-CD2 3.69Å; L67-L71 HydrophobicContact CD1-CD2 3.54Å; L67-L71 HydrophobicContact CG-CD2 4.23Å; L67-L144 HydrophobicContact CD1-CD1 4Å; L67-V178 HydrophobicContact CD2-CG1 3.94Å
68	D	78.9	Confident	87.9	Confident	83 Å²	83	49.2 Å²	49.2	44%	0.444	24%	0.242	S	C	.	.			trans	-45.3	129.4	179.1	-48	36.7	0	0	0	111.1	D70 L71 R129	D68-D70 PolarHBondContact O-N 2.97Å; D68-L71 WeakPolarHBondContact O-CB 3.3Å; D68-L71 PolarHBondContact O-N 2.92Å; D68-R129 IonicContact OD1-CZ 3.13Å; D68-R129 IonicContact OD1-NH1 2.66Å; D68-R129 PolarHBondContact OD1-NH1 3Å; D68-R129 IonicContact OD2-CZ 2.66Å; D68-R129 IonicContact OD2-NH1 2.71Å; D68-R129 PolarHBondContact OD2-NH1 3.16Å; D68-R129 IonicContact OD2-NH2 3.98Å; D68-R129 PolarHBondContact OD2-NH2 2.84Å
69	K	71.8	Confident	87.9	Confident	186 Å²	186	51.6 Å²	51.6	81%	0.809	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.9	-168	-62.7	-171.1	174.4	-172	0	115.4	L67 L71	L67-K69 PolarHBondContact O-N 2.85Å; K69-L71 VanDerWaalsContact C-N 3.29Å; K69-L71 PolarHBondContact O-N 2.7Å
70	D	74.4	Confident	87.8	Confident	151 Å²	151	47.3 Å²	47.3	81%	0.807	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	0.4	175.2	-54.3	-48.3	0	0	0	113.8	D68 T72	D68-D70 PolarHBondContact O-N 2.97Å; D70-T72 PolarHBondContact O-N 3.37Å; D70-T72 VanDerWaalsContact O-N 3.17Å
71	L	82.8	Confident	87.5	Confident	26 Å²	26	48.9 Å²	48.9	14%	0.136	24%	0.242	C	C	.	.			trans	-86.8	84.2	-172.6	-171.6	64.8	0	0	0	113	L67 D68 K69 S73 V74 L94 R129 L144	L67-L71 HydrophobicContact CB-CD2 3.69Å; L67-L71 HydrophobicContact CD1-CD2 3.54Å; L67-L71 HydrophobicContact CG-CD2 4.23Å; D68-L71 WeakPolarHBondContact O-CB 3.3Å; D68-L71 PolarHBondContact O-N 2.92Å; K69-L71 VanDerWaalsContact C-N 3.29Å; K69-L71 PolarHBondContact O-N 2.7Å; L71-S73 WeakPolarHBondContact CD1-O 3.32Å; L71-V74 HydrophobicContact CD2-CG1 3.9Å; L71-V74 HydrophobicContact CG-CG1 4.32Å; L71-L94 HydrophobicContact CD2-CD1 4.46Å; L71-R129 HydrophobicContact CD1-CB 3.57Å; L71-R129 HydrophobicContact CD1-CG 4.29Å; L71-L144 HydrophobicContact CD2-CD1 3.65Å
72	T	83.4	Confident	86.9	Confident	84 Å²	84	52.6 Å²	52.6	52%	0.515	28%	0.28	S	S	.	.			trans	-79.5	-14.8	177.6	57.1	0	0	0	0	115	D70 L93 L94	D70-T72 PolarHBondContact O-N 3.37Å; D70-T72 VanDerWaalsContact O-N 3.17Å; T72-L93 WeakPolarHBondContact O-CA 3.49Å; T72-L94 PolarHBondContact O-N 3.19Å
73	S	89.1	Confident	86.4	Confident	10 Å²	10	53 Å²	53	7%	0.07	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	150.3	-179.2	69.1	0	0	0	0	114.6	L71 E91 I92	L71-S73 WeakPolarHBondContact CD1-O 3.32Å; S73-E91 PolarHBondContact OG-OE2 3.23Å; S73-I92 CarbonylContact C-O 3.55Å; S73-I92 VanDerWaalsContact CA-O 3.24Å; S73-I92 WeakPolarHBondContact CA-O 3.48Å
74	V	92.8	Very high	86	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	163.1	174.9	-69	0	0	0	0	111.4	L61 L71 I92 L94 L127 Q128 L144	L61-V74 HydrophobicContact CD2-CG2 4.28Å; L71-V74 HydrophobicContact CD2-CG1 3.9Å; L71-V74 HydrophobicContact CG-CG1 4.32Å; V74-I92 HydrophobicContact CG2-CB 4.18Å; V74-I92 PolarHBondContact N-O 3.4Å; V74-I92 PolarHBondContact O-N 3.18Å; V74-L94 HydrophobicContact CG1-CD1 3.84Å; V74-L94 HydrophobicContact CG1-CG 4.4Å; V74-L94 HydrophobicContact CG2-CD1 4.33Å; V74-L94 HydrophobicContact CG2-CD2 3.82Å; V74-L94 HydrophobicContact CG2-CG 4.09Å; V74-L127 HydrophobicContact CB-CD1 3.91Å; V74-L127 HydrophobicContact CB-CG 4.29Å; V74-L127 HydrophobicContact CG1-CD1 4.47Å; V74-L127 HydrophobicContact CG1-CG 4.39Å; V74-L127 HydrophobicContact CG2-CD1 3.89Å; V74-Q128 CarbonylContact C-O 3.52Å; V74-Q128 WeakPolarHBondContact CA-O 3.24Å; V74-L144 HydrophobicContact CG1-CD1 4.31Å
75	V	94	Very high	85.8	Confident	3 Å²	3	64.5 Å²	64.5	2%	0.018	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132	178.3	167.2	0	0	0	0	108.6	R88 S89 E91 Q128 Y141	V75-R88 HydrophobicContact CG1-CB 3.86Å; V75-R88 HydrophobicContact CG1-CG 4.18Å; V75-S89 WeakPolarHBondContact CG1-O 3.33Å; V75-E91 HydrophobicContact CG2-CB 4.5Å; V75-E91 HydrophobicContact CG2-CG 3.9Å; V75-Q128 PolarHBondContact N-O 2.77Å; V75-Q128 PolarHBondContact O-N 2.89Å; V75-Y141 HydrophobicContact CG2-CE1 4.25Å
76	I	96.6	Very high	86.2	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	124.5	169.5	-65	169.1	0	0	0	107.7	L58 S89 I92 L104 L106 F108 I125 L127 I181	L58-I76 HydrophobicContact CD1-CD1 4.44Å; L58-I76 HydrophobicContact CD1-CG2 4.06Å; I76-S89 PolarHBondContact N-OG 2.69Å; I76-S89 PolarHBondContact O-N 3.44Å; I76-S89 PolarHBondContact O-OG 3.38Å; I76-I92 HydrophobicContact CD1-CD1 3.7Å; I76-I92 HydrophobicContact CG1-CD1 3.91Å; I76-L104 HydrophobicContact CD1-CD1 3.71Å; I76-L106 HydrophobicContact CD1-CD1 4.01Å; I76-F108 HydrophobicContact CG2-CE2 4.5Å; I76-F108 HydrophobicContact CG2-CZ 4Å; I76-I125 HydrophobicContact CG2-CG2 4.25Å; I76-L127 HydrophobicContact CG1-CD1 4.26Å; I76-I181 HydrophobicContact CD1-CD1 3.85Å; I76-I181 HydrophobicContact CG1-CD1 4.22Å; I76-I181 HydrophobicContact CG2-CD1 4.37Å
77	A	95.8	Very high	86.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.6	-177	0	0	0	0	0	111.5	I86 L87 R88 M126 Q128	A77-I86 HydrophobicContact CB-CG2 4.09Å; A77-L87 CarbonylContact C-O 3.56Å; A77-L87 WeakPolarHBondContact CA-O 3.46Å; A77-R88 HydrophobicContact CB-CG 3.79Å; A77-M126 HydrophobicContact CB-CB 4.26Å; A77-M126 HydrophobicContact CB-CE 4.07Å; A77-M126 PolarHBondContact N-O 2.74Å; A77-M126 PolarHBondContact O-N 2.92Å; A77-Q128 HydrophobicContact CB-CG 3.93Å
78	V	95.4	Very high	87.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.1	-171.5	178.3	0	0	0	0	110.4	W40 L87 F108 L110 L123 Q124 I125	W40-V78 HydrophobicContact CH2-CG1 4.45Å; V78-L87 HydrophobicContact CB-CB 4.4Å; V78-L87 PolarHBondContact N-O 2.92Å; V78-L87 PolarHBondContact O-N 2.81Å; V78-F108 HydrophobicContact CB-CD1 3.89Å; V78-F108 HydrophobicContact CB-CE1 3.97Å; V78-F108 HydrophobicContact CG1-CD1 4.48Å; V78-F108 HydrophobicContact CG2-CD1 3.53Å; V78-F108 HydrophobicContact CG2-CD2 4.39Å; V78-F108 HydrophobicContact CG2-CE1 3.33Å; V78-F108 HydrophobicContact CG2-CE2 4.25Å; V78-F108 HydrophobicContact CG2-CG 4.07Å; V78-F108 HydrophobicContact CG2-CZ 3.74Å; V78-L110 HydrophobicContact CG1-CD2 4.04Å; V78-L123 HydrophobicContact CG1-CD1 3.81Å; V78-L123 HydrophobicContact CG1-CD2 3.84Å; V78-L123 HydrophobicContact CG1-CG 3.9Å; V78-Q124 WeakPolarHBondContact CA-O 3.3Å; V78-I125 HydrophobicContact CB-CD1 4.38Å; V78-I125 HydrophobicContact CG1-CD1 4.01Å; V78-I125 HydrophobicContact CG2-CD1 3.7Å
79	K	92.9	Very high	88.2	Confident	51 Å²	51	56 Å²	56	22%	0.222	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	133.3	-171.2	177.8	-168.6	178	-160.6	0	111.3	S83 I86 Q124 M126	K79-S83 WeakPolarHBondContact CE-O 3.24Å; K79-I86 HydrophobicContact CB-CG1 4.1Å; K79-I86 HydrophobicContact CB-CG2 4.38Å; K79-I86 HydrophobicContact CD-CD1 3.99Å; K79-I86 HydrophobicContact CD-CG1 3.88Å; K79-I86 HydrophobicContact CG-CG1 3.92Å; K79-Q124 HydrophobicContact CB-CB 4.38Å; K79-Q124 PolarHBondContact N-O 2.77Å; K79-Q124 WeakPolarHBondContact O-CB 3.35Å; K79-Q124 PolarHBondContact O-N 3.13Å; K79-M126 HydrophobicContact CB-CE 3.57Å; K79-M126 HydrophobicContact CD-CE 4.25Å
80	L	91	Very high	88.9	Confident	6 Å²	6	51.4 Å²	51.4	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	141.1	167.6	-166.9	70.5	0	0	0	110.9	W40 G82 S83 Y112 L123 M151	W40-L80 HydrophobicContact CE3-CB 3.87Å; W40-L80 HydrophobicContact CZ3-CB 3.62Å; W40-L80 VanDerWaalsContact CZ3-N 3.31Å; L80-G82 PolarHBondContact O-N 2.85Å; L80-S83 VanDerWaalsContact O-CB 3.25Å; L80-S83 WeakPolarHBondContact O-CB 3.17Å; L80-S83 PolarHBondContact O-N 2.9Å; L80-Y112 HydrophobicContact CD1-CD2 4.27Å; L80-Y112 HydrophobicContact CD2-CD2 4.05Å; L80-L123 HydrophobicContact CD1-CD1 4.44Å; L80-M151 HydrophobicContact CD1-CG 4.34Å
81	Q	86.1	Confident	89.6	Confident	69 Å²	69	47.7 Å²	47.7	32%	0.322	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	139.2	169.5	-176.8	166.4	-27.6	0	0	110.6	S83 D119 K122	Q81-S83 PolarHBondContact O-N 2.91Å; Q81-S83 VanDerWaalsContact O-N 3.13Å; Q81-D119 PolarHBondContact NE2-O 2.74Å; Q81-K122 HydrophobicContact CB-CB 4.27Å; Q81-K122 WeakPolarHBondContact CB-O 3.2Å; Q81-K122 PolarHBondContact N-O 3.14Å
82	G	80.2	Confident	89.9	Confident	78 Å²	78	46.5 Å²	46.5	80%	0.804	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	-21.8	-171.8	0	0	0	0	0	116	L80	L80-G82 PolarHBondContact O-N 2.85Å
83	S	82.6	Confident	90.1	Very high	27 Å²	27	48.3 Å²	48.3	19%	0.189	25%	0.248	C	C	.	.			trans	-71.8	144.4	178.4	-174	0	0	0	0	112.6	K79 L80 Q81 R85	K79-S83 WeakPolarHBondContact CE-O 3.24Å; L80-S83 VanDerWaalsContact O-CB 3.25Å; L80-S83 WeakPolarHBondContact O-CB 3.17Å; L80-S83 PolarHBondContact O-N 2.9Å; Q81-S83 PolarHBondContact O-N 2.91Å; Q81-S83 VanDerWaalsContact O-N 3.13Å; S83-R85 PolarHBondContact OG-N 2.76Å
84	K	83.6	Confident	89.9	Confident	207 Å²	207	49.2 Å²	49.2	90%	0.9	25%	0.252	S	S	*	.	S	Bend	trans	-85.1	-18.2	167.1	-66.2	179.9	-179.5	176	0	112.5
85	R	85.4	Confident	88.9	Confident	110 Å²	110	53 Å²	53	42%	0.415	28%	0.279	S	S	.	.			trans	-84.5	140.4	-176.4	-57.5	179.5	-179.3	-137.6	-11.3	110.6	T39 W40 E41 S83	T39-R85 PolarHBondContact O-NH1 3.49Å; W40-R85 HydrophobicContact CD2-CB 4.5Å; W40-R85 HydrophobicContact CG-CB 4.21Å; E41-R85 IonicContact OE1-CZ 3.92Å; E41-R85 IonicContact OE1-NE 2.67Å; E41-R85 PolarHBondContact OE1-NE 3.34Å; E41-R85 IonicContact OE1-NH2 3.72Å; E41-R85 PolarHBondContact OE1-NH2 2.89Å; S83-R85 PolarHBondContact OG-N 2.76Å
86	I	91.9	Very high	87.2	Confident	57 Å²	57	59.4 Å²	59.4	29%	0.292	32%	0.323	S	S	.	.			trans	-139.9	120.1	-178.5	-53.8	-179.3	0	0	0	109.5	A77 K79 R88 M126	A77-I86 HydrophobicContact CB-CG2 4.09Å; K79-I86 HydrophobicContact CB-CG1 4.1Å; K79-I86 HydrophobicContact CB-CG2 4.38Å; K79-I86 HydrophobicContact CD-CD1 3.99Å; K79-I86 HydrophobicContact CD-CG1 3.88Å; K79-I86 HydrophobicContact CG-CG1 3.92Å; I86-R88 HydrophobicContact CG2-CG 4.27Å; I86-M126 HydrophobicContact CG2-CE 4.04Å
87	L	93.7	Very high	85.1	Confident	23 Å²	23	62.4 Å²	62.4	12%	0.12	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	149.6	167.6	-81.6	175.5	0	0	0	110.5	L36 A38 W40 A77 V78 F108	L36-L87 HydrophobicContact CB-CD1 4.37Å; L36-L87 HydrophobicContact CB-CD2 4.34Å; A38-L87 HydrophobicContact CB-CD1 3.84Å; A38-L87 HydrophobicContact CB-CD2 4.02Å; A38-L87 HydrophobicContact CB-CG 3.97Å; W40-L87 HydrophobicContact CZ2-CD1 4.47Å; W40-L87 HydrophobicContact CZ2-CG 4.29Å; A77-L87 CarbonylContact C-O 3.56Å; A77-L87 WeakPolarHBondContact CA-O 3.46Å; V78-L87 HydrophobicContact CB-CB 4.4Å; V78-L87 PolarHBondContact N-O 2.92Å; V78-L87 PolarHBondContact O-N 2.81Å; L87-F108 HydrophobicContact CB-CD1 4.34Å; L87-F108 HydrophobicContact CD1-CD1 4.32Å
88	R	94.1	Very high	83.4	Confident	78 Å²	78	65 Å²	65	29%	0.294	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	143	-178.9	-70.8	-166.5	173	78.5	3	112.1	L36 V75 A77 I86	L36-R88 WeakPolarHBondContact CD1-O 3.37Å; V75-R88 HydrophobicContact CG1-CB 3.86Å; V75-R88 HydrophobicContact CG1-CG 4.18Å; A77-R88 HydrophobicContact CB-CG 3.79Å; I86-R88 HydrophobicContact CG2-CG 4.27Å
89	S	93.9	Very high	81.8	Confident	9 Å²	9	70.7 Å²	70.7	6%	0.063	41%	0.405	C	S	.	.			trans	-73.2	166.5	169	74	0	0	0	0	113.4	M34 V75 I76	M34-S89 VanDerWaalsContact CE-CA 3.46Å; M34-S89 VanDerWaalsContact CE-CB 3.45Å; V75-S89 WeakPolarHBondContact CG1-O 3.33Å; I76-S89 PolarHBondContact N-OG 2.69Å; I76-S89 PolarHBondContact O-N 3.44Å; I76-S89 PolarHBondContact O-OG 3.38Å
90	N	87.3	Confident	81.1	Confident	90 Å²	90	69.1 Å²	69.1	48%	0.481	40%	0.399	S	S	.	.			trans	-56.2	161.9	155.6	-66.2	-23.4	0	0	0	110.8	I92	N90-I92 PolarHBondContact O-N 3.12Å
91	E	88.4	Confident	81	Confident	72 Å²	72	74 Å²	74	34%	0.336	42%	0.422	S	S	.	.			trans	-66.8	115.8	173.7	-67.2	-169.4	-152.6	0	0	110.2	S73 V75 R130	S73-E91 PolarHBondContact OG-OE2 3.23Å; V75-E91 HydrophobicContact CG2-CB 4.5Å; V75-E91 HydrophobicContact CG2-CG 3.9Å; E91-R130 VanDerWaalsContact OE1-CD 3.24Å; E91-R130 WeakPolarHBondContact OE1-CD 3.33Å; E91-R130 IonicContact OE1-CZ 3.49Å; E91-R130 IonicContact OE1-NE 2.78Å; E91-R130 IonicContact OE1-NH1 3.83Å; E91-R130 PolarHBondContact OE1-NH1 3.03Å
92	I	90.7	Very high	81.2	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.8	173.2	-59.7	166.8	0	0	0	106.9	V32 S73 V74 I76 N90 T102 L104 L106	V32-I92 HydrophobicContact CG1-CG1 4.33Å; V32-I92 HydrophobicContact CG2-CG2 4.38Å; S73-I92 CarbonylContact C-O 3.55Å; S73-I92 VanDerWaalsContact CA-O 3.24Å; S73-I92 WeakPolarHBondContact CA-O 3.48Å; V74-I92 HydrophobicContact CG2-CB 4.18Å; V74-I92 PolarHBondContact N-O 3.4Å; V74-I92 PolarHBondContact O-N 3.18Å; I76-I92 HydrophobicContact CD1-CD1 3.7Å; I76-I92 HydrophobicContact CG1-CD1 3.91Å; N90-I92 PolarHBondContact O-N 3.12Å; I92-T102 HydrophobicContact CG2-CG2 3.92Å; I92-L104 HydrophobicContact CD1-CD2 4.12Å; I92-L106 HydrophobicContact CD1-CD1 4.48Å
93	L	87	Confident	81.7	Confident	123 Å²	123	72.5 Å²	72.5	64%	0.644	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	138.9	175.6	-60.1	179.7	0	0	0	110.3	T72	T72-L93 WeakPolarHBondContact O-CA 3.49Å
94	L	83.9	Confident	82.1	Confident	28 Å²	28	71.5 Å²	71.5	15%	0.147	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-100.3	137.8	169.2	-61.7	-176.7	0	0	0	109.2	M63 L71 T72 V74	M63-L94 HydrophobicContact CG-CD2 4.2Å; L71-L94 HydrophobicContact CD2-CD1 4.46Å; T72-L94 PolarHBondContact O-N 3.19Å; V74-L94 HydrophobicContact CG1-CD1 3.84Å; V74-L94 HydrophobicContact CG1-CG 4.4Å; V74-L94 HydrophobicContact CG2-CD1 4.33Å; V74-L94 HydrophobicContact CG2-CD2 3.82Å; V74-L94 HydrophobicContact CG2-CG 4.09Å
95	S	71.5	Confident	82.4	Confident	82 Å²	82	66.3 Å²	66.3	57%	0.573	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-67.2	147.4	165.8	-172.2	0	0	0	0	110	A97 T100	S95-A97 PolarHBondContact O-N 3.41Å; S95-T100 WeakPolarHBondContact O-CG2 3.35Å
96	S	58.5	Low	82.8	Confident	136 Å²	136	61 Å²	61	95%	0.951	35%	0.351	S	S	*	.	S	Bend	trans	-82.1	8.4	-177.9	61	0	0	0	0	114.3
97	A	53.8	Low	82.8	Confident	64 Å²	64	59.8 Å²	59.8	53%	0.529	35%	0.345	S	S	.	.	S	Bend	trans	-103.5	139.7	166.4	0	0	0	0	0	108.8	S95 T100	S95-A97 PolarHBondContact O-N 3.41Å; A97-T100 WeakPolarHBondContact O-CG2 3.47Å
98	G	58.7	Low	82.8	Confident	54 Å²	54	58.7 Å²	58.7	56%	0.557	34%	0.34	S	S	*	.	S	Bend	trans	-64	168.6	-173.2	0	0	0	0	0	115.1
99	L	61.7	Low	82.7	Confident	120 Å²	120	55.6 Å²	55.6	63%	0.628	33%	0.33	S	S	*	.	S	Bend	trans	52.6	54.9	-177.1	-59.6	-179.8	0	0	0	113.7	M63 L64 E101	M63-L99 WeakPolarHBondContact O-CA 3.33Å; M63-L99 VanDerWaalsContact O-CD2 3.26Å; M63-L99 WeakPolarHBondContact O-CD2 3.11Å; L64-L99 WeakPolarHBondContact O-CD2 3.36Å; L99-E101 PolarHBondContact O-N 3.2Å
100	T	79.1	Confident	82.6	Confident	17 Å²	17	55.2 Å²	55.2	10%	0.104	33%	0.327	C	S	.	.			trans	-73.4	126.7	-177.8	46.9	0	0	0	0	113	M63 S95 A97	M63-T100 WeakPolarHBondContact CG-OG1 3.25Å; M63-T100 PolarHBondContact N-O 2.88Å; S95-T100 WeakPolarHBondContact O-CG2 3.35Å; A97-T100 WeakPolarHBondContact O-CG2 3.47Å
101	E	88.7	Confident	82.7	Confident	108 Å²	108	54 Å²	54	51%	0.505	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.1	165.4	-70.6	-153.9	113.4	0	0	110.1	K60 I62 L99	K60-E101 WeakPolarHBondContact CE-OE1 3.24Å; K60-E101 IonicContact NZ-OE1 2.86Å; K60-E101 PolarHBondContact NZ-OE1 2.84Å; K60-E101 IonicContact NZ-OE2 2.77Å; K60-E101 PolarHBondContact NZ-OE2 2.85Å; I62-E101 WeakPolarHBondContact CD1-OE1 3.2Å; I62-E101 HydrophobicContact CG1-CG 4.22Å; I62-E101 HydrophobicContact CG2-CG 4.27Å; L99-E101 PolarHBondContact O-N 3.2Å
102	T	90.3	Very high	82.8	Confident	26 Å²	26	50.6 Å²	50.6	16%	0.16	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.1	177.4	-56.9	0	0	0	0	110	V32 L61 I92 L104	V32-T102 HydrophobicContact CG2-CG2 4.14Å; L61-T102 PolarHBondContact N-O 2.82Å; L61-T102 PolarHBondContact O-N 2.96Å; I92-T102 HydrophobicContact CG2-CG2 3.92Å; T102-L104 HydrophobicContact CG2-CD2 4.39Å
103	D	91.1	Very high	82.7	Confident	91 Å²	91	51.5 Å²	51.5	49%	0.487	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	137.3	173.9	-68	-36.2	0	0	0	111.2	P31 V32 K60	P31-D103 WeakPolarHBondContact CA-O 3.4Å; P31-D103 HydrophobicContact CB-CB 3.99Å; V32-D103 PolarHBondContact N-O 2.79Å; K60-D103 VanDerWaalsContact CE-OD1 3.24Å; K60-D103 WeakPolarHBondContact CE-OD1 3.39Å
104	L	91.9	Very high	82.8	Confident	6 Å²	6	46.2 Å²	46.2	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	155.1	-177	-59.9	-178.1	0	0	0	110.4	V32 L58 K59 L61 I76 I92 T102 L106	V32-L104 HydrophobicContact CB-CD2 4.03Å; V32-L104 HydrophobicContact CG2-CD2 4.35Å; L58-L104 HydrophobicContact CB-CD1 4.02Å; L58-L104 CarbonylContact O-C 3.58Å; L58-L104 WeakPolarHBondContact O-CB 3.42Å; K59-L104 CarbonylContact C-O 3.58Å; K59-L104 WeakPolarHBondContact CA-O 3.49Å; K59-L104 PolarHBondContact O-N 3.49Å; L61-L104 HydrophobicContact CB-CD1 4.06Å; L61-L104 HydrophobicContact CB-CG 4.38Å; I76-L104 HydrophobicContact CD1-CD1 3.71Å; I92-L104 HydrophobicContact CD1-CD2 4.12Å; T102-L104 HydrophobicContact CG2-CD2 4.39Å; L104-L106 HydrophobicContact CB-CG 4.21Å; L104-L106 HydrophobicContact CD1-CD1 4.2Å; L104-L106 HydrophobicContact CD1-CG 4.48Å; L104-L106 HydrophobicContact CD2-CD1 4.2Å; L104-L106 HydrophobicContact CD2-CG 4.33Å
105	Q	88.8	Confident	83	Confident	97 Å²	97	46.5 Å²	46.5	45%	0.453	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	60.9	161.9	-164.3	-174.5	-9	0	0	107.2	V32 H33 M34	V32-Q105 CarbonylContact O-C 3.46Å; V32-Q105 PolarHBondContact O-N 2.81Å; H33-Q105 WeakPolarHBondContact CA-O 3.23Å; H33-Q105 HydrophobicContact CB-CB 4.08Å; H33-Q105 VanDerWaalsContact CD2-CD 3.45Å; H33-Q105 PolarHBondContact CD2-O 3.5Å; M34-Q105 PolarHBondContact N-O 2.82Å
106	L	93.2	Very high	83.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	122.3	-174.6	-62.1	-170	0	0	0	110.9	V32 M34 T57 L58 I76 I92 L104 F108	V32-L106 HydrophobicContact CG1-CD2 4.21Å; V32-L106 WeakPolarHBondContact O-CD2 3.32Å; M34-L106 HydrophobicContact CB-CD2 3.84Å; M34-L106 HydrophobicContact CE-CD1 4.32Å; M34-L106 HydrophobicContact CE-CD2 3.49Å; M34-L106 VanDerWaalsContact CE-CD2 3.49Å; M34-L106 HydrophobicContact CE-CG 4.4Å; M34-L106 WeakPolarHBondContact O-CA 3.5Å; T57-L106 CarbonylContact C-O 3.57Å; T57-L106 WeakPolarHBondContact CA-O 3.11Å; L58-L106 HydrophobicContact CB-CB 4.26Å; L58-L106 PolarHBondContact N-O 2.85Å; L58-L106 PolarHBondContact O-N 3.11Å; L58-L106 VanDerWaalsContact O-N 3.12Å; I76-L106 HydrophobicContact CD1-CD1 4.01Å; I92-L106 HydrophobicContact CD1-CD1 4.48Å; L104-L106 HydrophobicContact CB-CG 4.21Å; L104-L106 HydrophobicContact CD1-CD1 4.2Å; L104-L106 HydrophobicContact CD1-CG 4.48Å; L104-L106 HydrophobicContact CD2-CD1 4.2Å; L104-L106 HydrophobicContact CD2-CG 4.33Å; L106-F108 HydrophobicContact CB-CE2 3.99Å; L106-F108 HydrophobicContact CD1-CE2 4.5Å
107	T	93.1	Very high	84.6	Confident	30 Å²	30	50.8 Å²	50.8	18%	0.184	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.6	175.5	-39	0	0	0	0	110	M34 N35 L36 L56	M34-T107 PolarHBondContact O-N 2.88Å; M34-T107 VanDerWaalsContact O-N 3.07Å; N35-T107 CarbonylContact C-O 3.53Å; N35-T107 WeakPolarHBondContact CA-O 3.36Å; N35-T107 WeakPolarHBondContact OD1-CB 3.12Å; N35-T107 PolarHBondContact OD1-OG1 2.89Å; L36-T107 PolarHBondContact N-O 3.43Å; L56-T107 CarbonylContact O-C 3.52Å; L56-T107 WeakPolarHBondContact O-CA 3.43Å
108	F	93.6	Very high	85.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120.6	173.2	-61.5	-103.1	0	0	0	108.9	L36 N55 L56 L58 I76 V78 L87 L106	L36-F108 HydrophobicContact CB-CD1 4.14Å; L36-F108 HydrophobicContact CD1-CD1 3.75Å; L36-F108 HydrophobicContact CD1-CE1 3.34Å; L36-F108 HydrophobicContact CD1-CZ 3.99Å; L36-F108 WeakPolarHBondContact O-CA 3.36Å; N55-F108 CarbonylContact C-O 3.59Å; N55-F108 WeakPolarHBondContact CA-O 3.16Å; L56-F108 HydrophobicContact CB-CB 4.37Å; L56-F108 PolarHBondContact N-O 2.85Å; L56-F108 PolarHBondContact O-N 2.8Å; L58-F108 HydrophobicContact CD1-CD2 4.36Å; L58-F108 HydrophobicContact CD1-CE2 3.68Å; L58-F108 HydrophobicContact CG-CD2 4.48Å; L58-F108 HydrophobicContact CG-CE2 4.19Å; I76-F108 HydrophobicContact CG2-CE2 4.5Å; I76-F108 HydrophobicContact CG2-CZ 4Å; V78-F108 HydrophobicContact CB-CD1 3.89Å; V78-F108 HydrophobicContact CB-CE1 3.97Å; V78-F108 HydrophobicContact CG1-CD1 4.48Å; V78-F108 HydrophobicContact CG2-CD1 3.53Å; V78-F108 HydrophobicContact CG2-CD2 4.39Å; V78-F108 HydrophobicContact CG2-CE1 3.33Å; V78-F108 HydrophobicContact CG2-CE2 4.25Å; V78-F108 HydrophobicContact CG2-CG 4.07Å; V78-F108 HydrophobicContact CG2-CZ 3.74Å; L87-F108 HydrophobicContact CB-CD1 4.34Å; L87-F108 HydrophobicContact CD1-CD1 4.32Å; L106-F108 HydrophobicContact CB-CE2 3.99Å; L106-F108 HydrophobicContact CD1-CE2 4.5Å
109	S	91.3	Very high	86.5	Confident	14 Å²	14	56.8 Å²	56.8	10%	0.098	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	110	177.5	-65.4	0	0	0	0	109.2	L36 Y37 A38 F54 N55	L36-S109 PolarHBondContact O-N 2.8Å; Y37-S109 VanDerWaalsContact CA-O 3.3Å; Y37-S109 WeakPolarHBondContact CA-O 3.39Å; A38-S109 PolarHBondContact N-O 2.8Å; F54-S109 CarbonylContact O-C 3.59Å; F54-S109 WeakPolarHBondContact O-CA 3.4Å; N55-S109 WeakPolarHBondContact OD1-CB 3.24Å; N55-S109 PolarHBondContact OD1-OG 3.44Å
110	L	91.8	Very high	87.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.6	-174.3	61.2	99.7	0	0	0	112	A38 W40 F54 V78 Y112 L123 M151	A38-L110 CarbonylContact O-C 3.57Å; A38-L110 WeakPolarHBondContact O-CA 3.34Å; W40-L110 HydrophobicContact CE3-CD1 4.01Å; W40-L110 HydrophobicContact CH2-CD2 4.01Å; W40-L110 HydrophobicContact CZ3-CD1 3.79Å; W40-L110 HydrophobicContact CZ3-CD2 4.05Å; W40-L110 HydrophobicContact CZ3-CG 4.35Å; F54-L110 HydrophobicContact CB-CD1 4.07Å; F54-L110 HydrophobicContact CB-CG 4.2Å; F54-L110 HydrophobicContact CD1-CD1 4.18Å; F54-L110 HydrophobicContact CD1-CD2 3.74Å; F54-L110 HydrophobicContact CD1-CG 3.79Å; F54-L110 HydrophobicContact CE1-CD2 4.18Å; F54-L110 HydrophobicContact CG-CG 4.48Å; F54-L110 PolarHBondContact N-O 2.71Å; F54-L110 PolarHBondContact O-N 3.02Å; V78-L110 HydrophobicContact CG1-CD2 4.04Å; L110-Y112 HydrophobicContact CD1-CD1 3.68Å; L110-Y112 HydrophobicContact CD1-CG 3.89Å; L110-L123 HydrophobicContact CD2-CD1 4.06Å; L110-L123 HydrophobicContact CD2-CD2 4.35Å; L110-M151 HydrophobicContact CD1-CE 4.35Å
111	Q	90.8	Very high	87.9	Confident	66 Å²	66	51.7 Å²	51.7	31%	0.308	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	129	165.7	-59.6	178.2	-31.8	0	0	108.5	A38 T39 W40 R52 L53 I191	A38-Q111 PolarHBondContact O-N 2.66Å; T39-Q111 HydrophobicContact CG2-CB 4.23Å; T39-Q111 VanDerWaalsContact CG2-OE1 3.29Å; T39-Q111 PolarHBondContact OG1-OE1 2.92Å; W40-Q111 WeakPolarHBondContact CB-O 3.49Å; W40-Q111 PolarHBondContact N-O 3.38Å; R52-Q111 CarbonylContact O-C 3.55Å; R52-Q111 VanDerWaalsContact O-CA 3.31Å; R52-Q111 WeakPolarHBondContact O-CA 3.39Å; L53-Q111 HydrophobicContact CD1-CG 3.92Å; Q111-I191 HydrophobicContact CB-CD1 3.9Å; Q111-I191 HydrophobicContact CG-CD1 3.77Å
112	Y	89.1	Confident	88.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	151.8	-174.8	73.2	-67.4	0	0	0	112.3	R52 F54 L80 L110 H114 M151 S188	R52-Y112 HydrophobicContact CB-CD1 4.21Å; R52-Y112 HydrophobicContact CB-CE1 3.6Å; R52-Y112 PolarHBondContact N-O 3.32Å; R52-Y112 WeakPolarHBondContact O-CD1 3.46Å; R52-Y112 PolarHBondContact O-N 2.85Å; F54-Y112 HydrophobicContact CB-CD1 4.06Å; F54-Y112 HydrophobicContact CB-CE1 3.58Å; L80-Y112 HydrophobicContact CD1-CD2 4.27Å; L80-Y112 HydrophobicContact CD2-CD2 4.05Å; L110-Y112 HydrophobicContact CD1-CD1 3.68Å; L110-Y112 HydrophobicContact CD1-CG 3.89Å; Y112-H114 HydrophobicContact CD2-CB 4.49Å; Y112-H114 HydrophobicContact CE2-CB 3.84Å; Y112-H114 AromaticContact CE2-ND1 3.89Å; Y112-M151 HydrophobicContact CD1-CE 4.27Å; Y112-M151 HydrophobicContact CD2-CE 4.34Å; Y112-M151 HydrophobicContact CE1-CE 3.72Å; Y112-M151 HydrophobicContact CE2-CB 4.17Å; Y112-M151 HydrophobicContact CE2-CE 3.78Å; Y112-M151 HydrophobicContact CE2-CG 4.42Å; Y112-M151 VanDerWaalsContact CZ-CE 3.44Å; Y112-S188 PolarHBondContact OH-OG 3.34Å
113	P	88.8	Confident	88.2	Confident	20 Å²	20	48.1 Å²	48.1	13%	0.13	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	122.5	165.2	29.7	-33.5	0	0	0	110.2	W40 C49 F115	W40-P113 VanDerWaalsContact O-CD 3.27Å; W40-P113 WeakPolarHBondContact O-CD 3.26Å; C49-P113 HydrophobicContact CB-CB 3.95Å; P113-F115 HydrophobicContact CB-CE2 4.28Å; P113-F115 HydrophobicContact CB-CZ 4.09Å; P113-F115 HydrophobicContact CG-CE2 4.05Å; P113-F115 HydrophobicContact CG-CZ 3.94Å
114	H	89.5	Confident	88.4	Confident	12 Å²	12	45.6 Å²	45.6	6%	0.056	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116	169.5	-174.9	90.6	0	0	0	109.5	C49 V50 R52 Y112 N121 M155	C49-H114 CarbonylContact C-O 3.52Å; C49-H114 WeakPolarHBondContact CA-O 3.5Å; C49-H114 WeakPolarHBondContact CB-O 3.34Å; V50-H114 PolarHBondContact N-O 2.97Å; V50-H114 PolarHBondContact O-N 3.14Å; R52-H114 HydrophobicContact CG-CB 4.03Å; Y112-H114 HydrophobicContact CD2-CB 4.49Å; Y112-H114 HydrophobicContact CE2-CB 3.84Å; Y112-H114 AromaticContact CE2-ND1 3.89Å; H114-N121 PolarHBondContact CE1-ND2 3.21Å; H114-N121 PolarHBondContact NE2-ND2 2.97Å; H114-M155 PolarHBondContact CE1-SD 2.86Å
115	F	87.9	Confident	88.6	Confident	34 Å²	34	45.4 Å²	45.4	15%	0.149	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.5	-173.1	-62.9	-84.3	0	0	0	111.9	S48 C49 P113 K117 R118 A120 N121	S48-F115 CarbonylContact O-C 3.56Å; S48-F115 WeakPolarHBondContact O-CA 3.31Å; C49-F115 HydrophobicContact CB-CD1 3.64Å; C49-F115 HydrophobicContact CB-CE1 3.91Å; C49-F115 HydrophobicContact CB-CG 4.17Å; P113-F115 HydrophobicContact CB-CE2 4.28Å; P113-F115 HydrophobicContact CB-CZ 4.09Å; P113-F115 HydrophobicContact CG-CE2 4.05Å; P113-F115 HydrophobicContact CG-CZ 3.94Å; F115-K117 VanDerWaalsContact C-N 3.34Å; F115-K117 PolarHBondContact O-N 3.01Å; F115-R118 HydrophobicContact CB-CB 3.88Å; F115-R118 HydrophobicContact CB-CG 4.39Å; F115-R118 VanDerWaalsContact CE1-NH1 3.26Å; F115-R118 HydrophobicContact CG-CB 4.4Å; F115-A120 HydrophobicContact CD2-CB 3.79Å; F115-A120 HydrophobicContact CE2-CB 4.22Å; F115-N121 PolarHBondContact N-OD1 3.41Å; F115-N121 PolarHBondContact O-ND2 3.46Å
116	L	84.3	Confident	88.9	Confident	115 Å²	115	41.3 Å²	41.3	60%	0.602	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-23.2	-177.2	-60.3	177.7	0	0	0	113.6	S48 V50	S48-L116 PolarHBondContact O-N 2.8Å; V50-L116 HydrophobicContact CG2-CD1 4.14Å; V50-L116 HydrophobicContact CG2-CD2 4.01Å; V50-L116 HydrophobicContact CG2-CG 4.23Å
117	K	79.8	Confident	89	Confident	192 Å²	192	41.3 Å²	41.3	84%	0.835	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.2	14.2	-173.6	-61.7	-171.1	178	-175.3	0	114.5	F115	F115-K117 VanDerWaalsContact C-N 3.34Å; F115-K117 PolarHBondContact O-N 3.01Å
118	R	75.7	Confident	89.1	Confident	139 Å²	139	40.3 Å²	40.3	53%	0.525	19%	0.192	S	C	.	.	S	Bend	trans	-135.2	138.1	-176.8	-58.7	-179.6	-177.3	144.7	0.1	111.7	F115 A120	F115-R118 HydrophobicContact CB-CB 3.88Å; F115-R118 HydrophobicContact CB-CG 4.39Å; F115-R118 VanDerWaalsContact CE1-NH1 3.26Å; F115-R118 HydrophobicContact CG-CB 4.4Å; R118-A120 HydrophobicContact CB-CB 4.35Å; R118-A120 PolarHBondContact O-N 3.25Å
119	D	76	Confident	89	Confident	105 Å²	105	42.7 Å²	42.7	56%	0.561	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	57.3	169.2	-172.5	31	0	0	0	112.1	Q81 K122	Q81-D119 PolarHBondContact NE2-O 2.74Å; D119-K122 WeakPolarHBondContact OD1-CD 3.33Å; D119-K122 WeakPolarHBondContact OD1-CE 3.43Å; D119-K122 IonicContact OD1-NZ 3.78Å; D119-K122 PolarHBondContact OD1-NZ 2.94Å; D119-K122 IonicContact OD2-NZ 2.74Å; D119-K122 PolarHBondContact OD2-NZ 3.3Å
120	A	80	Confident	88.9	Confident	18 Å²	18	47.3 Å²	47.3	15%	0.149	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-3.9	174.5	0	0	0	0	0	112.2	F115 R118 K122	F115-A120 HydrophobicContact CD2-CB 3.79Å; F115-A120 HydrophobicContact CE2-CB 4.22Å; R118-A120 HydrophobicContact CB-CB 4.35Å; R118-A120 PolarHBondContact O-N 3.25Å; A120-K122 PolarHBondContact O-N 2.94Å
121	N	89.8	Confident	88.7	Confident	13 Å²	13	52.1 Å²	52.1	7%	0.07	24%	0.237	C	C	.	.			trans	-80.9	32.4	-174.8	-61.4	-30.4	0	0	0	113.2	H114 F115 M151	H114-N121 PolarHBondContact CE1-ND2 3.21Å; H114-N121 PolarHBondContact NE2-ND2 2.97Å; F115-N121 PolarHBondContact N-OD1 3.41Å; F115-N121 PolarHBondContact O-ND2 3.46Å; N121-M151 HydrophobicContact CB-CB 4.28Å; N121-M151 WeakPolarHBondContact O-CA 3.2Å; N121-M151 WeakPolarHBondContact O-CB 3.34Å; N121-M151 WeakPolarHBondContact O-CG 3.28Å; N121-M151 PolarHBondContact O-N 2.81Å
122	K	92.7	Very high	88.2	Confident	58 Å²	58	54.9 Å²	54.9	25%	0.252	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.1	-178.5	-74.4	165.6	175.8	164.2	0	109.7	Q81 D119 A120 I149	Q81-K122 HydrophobicContact CB-CB 4.27Å; Q81-K122 WeakPolarHBondContact CB-O 3.2Å; Q81-K122 PolarHBondContact N-O 3.14Å; D119-K122 WeakPolarHBondContact OD1-CD 3.33Å; D119-K122 WeakPolarHBondContact OD1-CE 3.43Å; D119-K122 IonicContact OD1-NZ 3.78Å; D119-K122 PolarHBondContact OD1-NZ 2.94Å; D119-K122 IonicContact OD2-NZ 2.74Å; D119-K122 PolarHBondContact OD2-NZ 3.3Å; A120-K122 PolarHBondContact O-N 2.94Å; K122-I149 WeakPolarHBondContact CA-O 3.39Å
123	L	93.4	Very high	87.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.2	179.1	-169	76.4	0	0	0	109.7	W40 F54 L56 V78 L80 L110 I125 L148 I149 M151	W40-L123 HydrophobicContact CH2-CD1 4.2Å; W40-L123 HydrophobicContact CZ3-CD1 3.95Å; F54-L123 HydrophobicContact CD1-CD2 4.16Å; F54-L123 HydrophobicContact CE1-CD2 3.32Å; F54-L123 HydrophobicContact CZ-CD2 3.61Å; L56-L123 HydrophobicContact CD2-CD2 4.49Å; V78-L123 HydrophobicContact CG1-CD1 3.81Å; V78-L123 HydrophobicContact CG1-CD2 3.84Å; V78-L123 HydrophobicContact CG1-CG 3.9Å; L80-L123 HydrophobicContact CD1-CD1 4.44Å; L110-L123 HydrophobicContact CD2-CD1 4.06Å; L110-L123 HydrophobicContact CD2-CD2 4.35Å; L123-I125 HydrophobicContact CD2-CD1 4Å; L123-I125 HydrophobicContact CG-CD1 4.26Å; L123-L148 WeakPolarHBondContact O-CA 3.42Å; L123-I149 HydrophobicContact CB-CB 4.33Å; L123-I149 PolarHBondContact N-O 2.84Å; L123-I149 PolarHBondContact O-N 2.86Å; L123-M151 HydrophobicContact CB-CG 4Å; L123-M151 HydrophobicContact CB-SD 3.6Å; L123-M151 VanDerWaalsContact CB-SD 3.6Å; L123-M151 HydrophobicContact CD2-CE 4.39Å; L123-M151 HydrophobicContact CD2-SD 3.96Å; L123-M151 HydrophobicContact CG-SD 4.29Å
124	Q	94.5	Very high	87	Confident	39 Å²	39	69.3 Å²	69.3	18%	0.182	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	115.6	179	-61.9	-172.3	-27.5	0	0	109.7	V78 K79 M126 L146 L148	V78-Q124 WeakPolarHBondContact CA-O 3.3Å; K79-Q124 HydrophobicContact CB-CB 4.38Å; K79-Q124 PolarHBondContact N-O 2.77Å; K79-Q124 WeakPolarHBondContact O-CB 3.35Å; K79-Q124 PolarHBondContact O-N 3.13Å; Q124-M126 HydrophobicContact CB-CG 4.48Å; Q124-L146 HydrophobicContact CB-CD1 3.69Å; Q124-L146 HydrophobicContact CG-CD1 4.08Å; Q124-L148 HydrophobicContact CB-CD2 4.47Å; Q124-L148 HydrophobicContact CG-CD2 3.78Å
125	I	95.8	Very high	86.2	Confident	1 Å²	1	76.3 Å²	76.3	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	110.4	169.5	-49.2	-57.3	0	0	0	107.2	L56 I76 V78 L123 L146 G147 I149 L165 L167 I181	L56-I125 HydrophobicContact CD2-CD1 3.76Å; I76-I125 HydrophobicContact CG2-CG2 4.25Å; V78-I125 HydrophobicContact CB-CD1 4.38Å; V78-I125 HydrophobicContact CG1-CD1 4.01Å; V78-I125 HydrophobicContact CG2-CD1 3.7Å; L123-I125 HydrophobicContact CD2-CD1 4Å; L123-I125 HydrophobicContact CG-CD1 4.26Å; I125-L146 CarbonylContact O-C 3.53Å; I125-L146 WeakPolarHBondContact O-CA 3.16Å; I125-G147 PolarHBondContact N-O 2.73Å; I125-G147 PolarHBondContact O-N 2.83Å; I125-I149 HydrophobicContact CD1-CD1 4.19Å; I125-I149 HydrophobicContact CG1-CD1 3.97Å; I125-I149 HydrophobicContact CG1-CG1 4.3Å; I125-L165 HydrophobicContact CB-CD2 3.84Å; I125-L165 HydrophobicContact CG1-CD2 3.59Å; I125-L165 HydrophobicContact CG2-CD2 4.16Å; I125-L167 HydrophobicContact CB-CD2 4.39Å; I125-L167 HydrophobicContact CG2-CD2 4.26Å; I125-I181 HydrophobicContact CG2-CD1 4.06Å
126	M	96	Very high	85.6	Confident	12 Å²	12	84.3 Å²	84.3	6%	0.059	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	129	-173.2	-65.5	166.6	-75.6	0	0	110.7	A77 K79 I86 Q124 Q128 T143 A145 L146	A77-M126 HydrophobicContact CB-CB 4.26Å; A77-M126 HydrophobicContact CB-CE 4.07Å; A77-M126 PolarHBondContact N-O 2.74Å; A77-M126 PolarHBondContact O-N 2.92Å; K79-M126 HydrophobicContact CB-CE 3.57Å; K79-M126 HydrophobicContact CD-CE 4.25Å; I86-M126 HydrophobicContact CG2-CE 4.04Å; Q124-M126 HydrophobicContact CB-CG 4.48Å; M126-Q128 HydrophobicContact CB-CG 3.88Å; M126-T143 HydrophobicContact CB-CG2 4.06Å; M126-T143 HydrophobicContact CG-CG2 4.13Å; M126-A145 WeakPolarHBondContact CA-O 3.42Å; M126-L146 HydrophobicContact CG-CD1 3.76Å
127	L	95.5	Very high	85.2	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	118.8	161.6	-165.3	68.2	0	0	0	107.9	L61 M63 V74 I76 L144 A145 L167 A179	L61-L127 HydrophobicContact CD1-CD1 4.4Å; L61-L127 HydrophobicContact CD2-CD1 4.23Å; M63-L127 HydrophobicContact CE-CD2 3.87Å; M63-L127 HydrophobicContact SD-CD2 3.88Å; V74-L127 HydrophobicContact CB-CD1 3.91Å; V74-L127 HydrophobicContact CB-CG 4.29Å; V74-L127 HydrophobicContact CG1-CD1 4.47Å; V74-L127 HydrophobicContact CG1-CG 4.39Å; V74-L127 HydrophobicContact CG2-CD1 3.89Å; I76-L127 HydrophobicContact CG1-CD1 4.26Å; L127-L144 PolarHBondContact O-N 2.67Å; L127-A145 HydrophobicContact CB-CB 4.19Å; L127-A145 PolarHBondContact N-O 2.82Å; L127-A145 PolarHBondContact O-N 3.47Å; L127-L167 HydrophobicContact CB-CD1 3.94Å; L127-A179 HydrophobicContact CD2-CB 4.25Å
128	Q	94.9	Very high	85.3	Confident	9 Å²	9	76 Å²	76	4%	0.042	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	147	-175.6	-54.9	-155.7	-48.1	0	0	111.9	V74 V75 A77 M126 Y141 K142 T143	V74-Q128 CarbonylContact C-O 3.52Å; V74-Q128 WeakPolarHBondContact CA-O 3.24Å; V75-Q128 PolarHBondContact N-O 2.77Å; V75-Q128 PolarHBondContact O-N 2.89Å; A77-Q128 HydrophobicContact CB-CG 3.93Å; M126-Q128 HydrophobicContact CB-CG 3.88Å; Q128-Y141 HydrophobicContact CB-CD1 4.32Å; Q128-K142 WeakPolarHBondContact CA-O 3.27Å; Q128-T143 PolarHBondContact NE2-OG1 2.88Å
129	R	91.1	Very high	85.6	Confident	50 Å²	50	77.6 Å²	77.6	19%	0.189	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	151.5	160.5	72	175.9	-176.9	-139	17.9	111.7	D68 L71 Y141 K142 L144	D68-R129 IonicContact OD1-CZ 3.13Å; D68-R129 IonicContact OD1-NH1 2.66Å; D68-R129 PolarHBondContact OD1-NH1 3Å; D68-R129 IonicContact OD2-CZ 2.66Å; D68-R129 IonicContact OD2-NH1 2.71Å; D68-R129 PolarHBondContact OD2-NH1 3.16Å; D68-R129 IonicContact OD2-NH2 3.98Å; D68-R129 PolarHBondContact OD2-NH2 2.84Å; L71-R129 HydrophobicContact CD1-CB 3.57Å; L71-R129 HydrophobicContact CD1-CG 4.29Å; R129-Y141 CarbonylContact O-C 3.59Å; R129-Y141 VanDerWaalsContact O-CA 3.23Å; R129-Y141 WeakPolarHBondContact O-CA 3.25Å; R129-Y141 WeakPolarHBondContact O-CB 3.37Å; R129-K142 HydrophobicContact CG-CB 4.22Å; R129-K142 PolarHBondContact N-O 3.34Å; R129-K142 PolarHBondContact O-N 2.73Å; R129-L144 HydrophobicContact CB-CD1 4.01Å; R129-L144 HydrophobicContact CB-CG 4.46Å; R129-L144 HydrophobicContact CG-CD1 4.23Å; R129-L144 HydrophobicContact CG-CD2 4.04Å; R129-L144 HydrophobicContact CG-CG 4.27Å
130	R	88.6	Confident	86.2	Confident	110 Å²	110	73.9 Å²	73.9	42%	0.415	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	139.2	172	-157.6	165.3	177.3	172.9	-0.7	109.9	E91 T137 Y141	E91-R130 VanDerWaalsContact OE1-CD 3.24Å; E91-R130 WeakPolarHBondContact OE1-CD 3.33Å; E91-R130 IonicContact OE1-CZ 3.49Å; E91-R130 IonicContact OE1-NE 2.78Å; E91-R130 IonicContact OE1-NH1 3.83Å; E91-R130 PolarHBondContact OE1-NH1 3.03Å; R130-T137 HydrophobicContact CB-CG2 4.47Å; R130-T137 HydrophobicContact CG-CG2 3.67Å; R130-Y141 HydrophobicContact CB-CD1 4.26Å; R130-Y141 HydrophobicContact CB-CE1 4.07Å; R130-Y141 HydrophobicContact CG-CE1 4.09Å
131	K	89.1	Confident	86.8	Confident	101 Å²	101	76.5 Å²	76.5	44%	0.439	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	142.5	178.4	-72.8	-176.1	176.9	-175.5	0	110.5	I138 G140 Y141	K131-I138 HydrophobicContact CB-CD1 4Å; K131-I138 HydrophobicContact CB-CG1 3.55Å; K131-I138 PolarHBondContact O-N 3.07Å; K131-G140 PolarHBondContact N-O 2.72Å; K131-Y141 VanDerWaalsContact CE-O 3.28Å; K131-Y141 WeakPolarHBondContact CE-O 3.39Å
132	R	79.4	Confident	86.9	Confident	124 Å²	124	81.2 Å²	81.2	47%	0.468	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.6	174.7	-61.9	-178.2	-179.4	-98.7	1.7	109.3	R136 T137	R132-R136 CarbonylContact C-O 3.55Å; R132-R136 WeakPolarHBondContact CA-O 3.44Å; R132-T137 PolarHBondContact NH1-OG1 3.48Å
133	Y	75.3	Confident	87	Confident	154 Å²	154	81.2 Å²	81.2	60%	0.604	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	115.5	169.5	175.7	-91.4	0	0	0	108.1	N135 R136	Y133-N135 PolarHBondContact O-N 3.5Å; Y133-R136 PolarHBondContact N-O 3.11Å; Y133-R136 PolarHBondContact O-N 3.43Å; Y133-R136 VanDerWaalsContact O-N 3.14Å
134	K	78.1	Confident	86.9	Confident	169 Å²	169	81.9 Å²	81.9	74%	0.735	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	-140.1	-158.9	-54.5	-178.4	-178.4	-177	0	108.6	R136	K134-R136 PolarHBondContact O-N 2.82Å
135	N	72.3	Confident	86.9	Confident	160 Å²	160	80.1 Å²	80.1	86%	0.856	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-1.1	-178.1	-59.4	3.9	0	0	0	113.7	Y133	Y133-N135 PolarHBondContact O-N 3.5Å
136	R	75.3	Confident	86.9	Confident	202 Å²	202	81.4 Å²	81.4	76%	0.762	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.3	-177.3	-168.1	175.5	-176.2	-179.4	2.1	111.5	R132 Y133 K134	R132-R136 CarbonylContact C-O 3.55Å; R132-R136 WeakPolarHBondContact CA-O 3.44Å; Y133-R136 PolarHBondContact N-O 3.11Å; Y133-R136 PolarHBondContact O-N 3.43Å; Y133-R136 VanDerWaalsContact O-N 3.14Å; K134-R136 PolarHBondContact O-N 2.82Å
137	T	75.5	Confident	86.8	Confident	54 Å²	54	81 Å²	81	33%	0.331	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	134.9	171.7	-39.5	0	0	0	0	110.6	R130 R132	R130-T137 HydrophobicContact CB-CG2 4.47Å; R130-T137 HydrophobicContact CG-CG2 3.67Å; R132-T137 PolarHBondContact NH1-OG1 3.48Å
138	I	82.9	Confident	86.7	Confident	78 Å²	78	85.4 Å²	85.4	40%	0.4	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	174.3	178	64.9	169	0	0	0	110.8	K131	K131-I138 HydrophobicContact CB-CD1 4Å; K131-I138 HydrophobicContact CB-CG1 3.55Å; K131-I138 PolarHBondContact O-N 3.07Å
139	L	81.8	Confident	86.6	Confident	172 Å²	172	85.6 Å²	85.6	90%	0.901	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	140.2	-177.1	-170.2	61.7	0	0	0	112
140	G	88.5	Confident	86.6	Confident	27 Å²	27	86.1 Å²	86.1	28%	0.278	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	91.3	-178.7	175	0	0	0	0	0	115.2	K131	K131-G140 PolarHBondContact N-O 2.72Å
141	Y	93.2	Very high	86.8	Confident	74 Å²	74	80.9 Å²	80.9	29%	0.29	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	156.6	-170.8	-65.3	-92.2	0	0	0	111.1	V75 Q128 R129 R130 K131	V75-Y141 HydrophobicContact CG2-CE1 4.25Å; Q128-Y141 HydrophobicContact CB-CD1 4.32Å; R129-Y141 CarbonylContact O-C 3.59Å; R129-Y141 VanDerWaalsContact O-CA 3.23Å; R129-Y141 WeakPolarHBondContact O-CA 3.25Å; R129-Y141 WeakPolarHBondContact O-CB 3.37Å; R130-Y141 HydrophobicContact CB-CD1 4.26Å; R130-Y141 HydrophobicContact CB-CE1 4.07Å; R130-Y141 HydrophobicContact CG-CE1 4.09Å; K131-Y141 VanDerWaalsContact CE-O 3.28Å; K131-Y141 WeakPolarHBondContact CE-O 3.39Å
142	K	91.9	Very high	86.7	Confident	111 Å²	111	77.5 Å²	77.5	48%	0.483	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.6	166.4	177	179.9	177.6	-174	0	107.8	Q128 R129	Q128-K142 WeakPolarHBondContact CA-O 3.27Å; R129-K142 HydrophobicContact CG-CB 4.22Å; R129-K142 PolarHBondContact N-O 3.34Å; R129-K142 PolarHBondContact O-N 2.73Å
143	T	93.4	Very high	87.1	Confident	58 Å²	58	76.2 Å²	76.2	36%	0.356	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	137	168.2	-57.9	0	0	0	0	109.3	M126 Q128 A145	M126-T143 HydrophobicContact CB-CG2 4.06Å; M126-T143 HydrophobicContact CG-CG2 4.13Å; Q128-T143 PolarHBondContact NE2-OG1 2.88Å; T143-A145 VanDerWaalsContact CG2-O 3.3Å; T143-A145 WeakPolarHBondContact CG2-O 3.3Å
144	L	92.6	Very high	87.8	Confident	15 Å²	15	69.2 Å²	69.2	8%	0.079	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-36.5	178.3	-59.9	177.2	0	0	0	111.3	L67 L71 V74 L127 R129 S169	L67-L144 HydrophobicContact CD1-CD1 4Å; L71-L144 HydrophobicContact CD2-CD1 3.65Å; V74-L144 HydrophobicContact CG1-CD1 4.31Å; L127-L144 PolarHBondContact O-N 2.67Å; R129-L144 HydrophobicContact CB-CD1 4.01Å; R129-L144 HydrophobicContact CB-CG 4.46Å; R129-L144 HydrophobicContact CG-CD1 4.23Å; R129-L144 HydrophobicContact CG-CD2 4.04Å; R129-L144 HydrophobicContact CG-CG 4.27Å; L144-S169 PolarHBondContact O-OG 3.1Å
145	A	94.1	Very high	88.1	Confident	2 Å²	2	64.3 Å²	64.3	2%	0.017	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	155.7	177.3	0	0	0	0	0	111.1	M126 L127 T143 L167 H168 V178	M126-A145 WeakPolarHBondContact CA-O 3.42Å; L127-A145 HydrophobicContact CB-CB 4.19Å; L127-A145 PolarHBondContact N-O 2.82Å; L127-A145 PolarHBondContact O-N 3.47Å; T143-A145 VanDerWaalsContact CG2-O 3.3Å; T143-A145 WeakPolarHBondContact CG2-O 3.3Å; A145-L167 HydrophobicContact CB-CB 3.73Å; A145-H168 CarbonylContact C-O 3.56Å; A145-H168 VanDerWaalsContact CA-O 3.25Å; A145-H168 WeakPolarHBondContact CA-O 3.48Å; A145-V178 HydrophobicContact CB-CB 3.72Å; A145-V178 HydrophobicContact CB-CG1 4.01Å; A145-V178 HydrophobicContact CB-CG2 4.09Å
146	L	94.8	Very high	88.5	Confident	27 Å²	27	63.5 Å²	63.5	14%	0.141	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	133	-177.1	174.7	65.8	0	0	0	110.2	Q124 I125 M126 L148 H168	Q124-L146 HydrophobicContact CB-CD1 3.69Å; Q124-L146 HydrophobicContact CG-CD1 4.08Å; I125-L146 CarbonylContact O-C 3.53Å; I125-L146 WeakPolarHBondContact O-CA 3.16Å; M126-L146 HydrophobicContact CG-CD1 3.76Å; L146-L148 HydrophobicContact CD1-CD2 4.18Å; L146-L148 HydrophobicContact CD2-CD2 4.29Å; L146-L148 HydrophobicContact CG-CD2 4.27Å; L146-H168 PolarHBondContact N-O 3.4Å; L146-H168 PolarHBondContact O-N 3.13Å
147	G	94.8	Very high	88.6	Confident	3 Å²	3	60.3 Å²	60.3	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	156.2	162.7	0	0	0	0	0	110	I125	I125-G147 PolarHBondContact N-O 2.73Å; I125-G147 PolarHBondContact O-N 2.83Å
148	L	93.4	Very high	88.4	Confident	93 Å²	93	61.8 Å²	61.8	49%	0.487	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.1	-179.3	-61.4	177.5	0	0	0	109.9	L123 Q124 L146	L123-L148 WeakPolarHBondContact O-CA 3.42Å; Q124-L148 HydrophobicContact CB-CD2 4.47Å; Q124-L148 HydrophobicContact CG-CD2 3.78Å; L146-L148 HydrophobicContact CD1-CD2 4.18Å; L146-L148 HydrophobicContact CD2-CD2 4.29Å; L146-L148 HydrophobicContact CG-CD2 4.27Å
149	I	92.8	Very high	87.6	Confident	14 Å²	14	60 Å²	60	7%	0.072	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.7	169.3	-60.6	174.5	0	0	0	107.9	L56 K122 L123 I125 M151 V154 L165	L56-I149 HydrophobicContact CD1-CD1 4.12Å; L56-I149 HydrophobicContact CD2-CD1 4.21Å; K122-I149 WeakPolarHBondContact CA-O 3.39Å; L123-I149 HydrophobicContact CB-CB 4.33Å; L123-I149 PolarHBondContact N-O 2.84Å; L123-I149 PolarHBondContact O-N 2.86Å; I125-I149 HydrophobicContact CD1-CD1 4.19Å; I125-I149 HydrophobicContact CG1-CD1 3.97Å; I125-I149 HydrophobicContact CG1-CG1 4.3Å; I149-M151 HydrophobicContact CG2-SD 4.41Å; I149-M151 PolarHBondContact O-N 2.81Å; I149-V154 HydrophobicContact CG2-CG2 3.59Å; I149-L165 HydrophobicContact CD1-CD2 4.2Å; I149-L165 HydrophobicContact CG1-CD1 4.23Å; I149-L165 HydrophobicContact CG1-CD2 4.14Å
150	N	91.8	Very high	86.6	Confident	60 Å²	60	59.8 Å²	59.8	32%	0.321	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	106.8	175	179.8	4.7	0	0	0	110.1	A152 E153 V154	N150-A152 PolarHBondContact O-N 3.16Å; N150-A152 VanDerWaalsContact O-N 3.11Å; N150-A152 PolarHBondContact OD1-N 2.81Å; N150-A152 VanDerWaalsContact OD1-N 3.16Å; N150-E153 HydrophobicContact CB-CB 3.98Å; N150-E153 WeakPolarHBondContact O-CB 3.46Å; N150-E153 PolarHBondContact O-N 2.87Å; N150-E153 VanDerWaalsContact O-N 3.11Å; N150-V154 WeakPolarHBondContact O-CG2 3.47Å; N150-V154 PolarHBondContact O-N 3.01Å
151	M	90.9	Very high	85.3	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-7.7	-174.4	-52.9	-74.4	-81.5	0	0	113.5	F54 L80 L110 Y112 N121 L123 I149 M155	F54-M151 HydrophobicContact CB-CE 3.58Å; F54-M151 HydrophobicContact CD1-CE 3.82Å; F54-M151 HydrophobicContact CD2-CE 3.32Å; F54-M151 HydrophobicContact CD2-SD 3.77Å; F54-M151 HydrophobicContact CE1-CE 4.21Å; F54-M151 HydrophobicContact CE1-SD 4.44Å; F54-M151 HydrophobicContact CE2-CE 3.79Å; F54-M151 HydrophobicContact CE2-SD 3.61Å; F54-M151 HydrophobicContact CG-CE 3.32Å; F54-M151 HydrophobicContact CG-SD 4.27Å; F54-M151 HydrophobicContact CZ-CE 4.19Å; F54-M151 HydrophobicContact CZ-SD 3.94Å; L80-M151 HydrophobicContact CD1-CG 4.34Å; L110-M151 HydrophobicContact CD1-CE 4.35Å; Y112-M151 HydrophobicContact CD1-CE 4.27Å; Y112-M151 HydrophobicContact CD2-CE 4.34Å; Y112-M151 HydrophobicContact CE1-CE 3.72Å; Y112-M151 HydrophobicContact CE2-CB 4.17Å; Y112-M151 HydrophobicContact CE2-CE 3.78Å; Y112-M151 HydrophobicContact CE2-CG 4.42Å; Y112-M151 VanDerWaalsContact CZ-CE 3.44Å; N121-M151 HydrophobicContact CB-CB 4.28Å; N121-M151 WeakPolarHBondContact O-CA 3.2Å; N121-M151 WeakPolarHBondContact O-CB 3.34Å; N121-M151 WeakPolarHBondContact O-CG 3.28Å; N121-M151 PolarHBondContact O-N 2.81Å; L123-M151 HydrophobicContact CB-CG 4Å; L123-M151 HydrophobicContact CB-SD 3.6Å; L123-M151 VanDerWaalsContact CB-SD 3.6Å; L123-M151 HydrophobicContact CD2-CE 4.39Å; L123-M151 HydrophobicContact CD2-SD 3.96Å; L123-M151 HydrophobicContact CG-SD 4.29Å; I149-M151 HydrophobicContact CG2-SD 4.41Å; I149-M151 PolarHBondContact O-N 2.81Å; M151-M155 WeakPolarHBondContact O-CG 3.41Å
152	A	88.5	Confident	83.9	Confident	30 Å²	30	60.1 Å²	60.1	25%	0.248	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-38.4	170	0	0	0	0	0	111.9	N150 M155 Q156	N150-A152 PolarHBondContact O-N 3.16Å; N150-A152 VanDerWaalsContact O-N 3.11Å; N150-A152 PolarHBondContact OD1-N 2.81Å; N150-A152 VanDerWaalsContact OD1-N 3.16Å; A152-M155 WeakPolarHBondContact O-CB 3.36Å; A152-M155 PolarHBondContact O-N 3.48Å; A152-M155 VanDerWaalsContact O-N 3.13Å; A152-Q156 PolarHBondContact O-N 2.76Å
153	E	87.8	Confident	83.5	Confident	98 Å²	98	58.8 Å²	58.8	46%	0.458	33%	0.325	S	S	.	.	H	α-helix	trans	-62.1	-44.5	173.8	-173.5	-175.3	160.8	0	0	110.6	N150 M155 Q156 H157	N150-E153 HydrophobicContact CB-CB 3.98Å; N150-E153 WeakPolarHBondContact O-CB 3.46Å; N150-E153 PolarHBondContact O-N 2.87Å; N150-E153 VanDerWaalsContact O-N 3.11Å; E153-M155 PolarHBondContact O-N 2.89Å; E153-M155 VanDerWaalsContact O-N 3.08Å; E153-Q156 PolarHBondContact O-N 2.81Å; E153-H157 PolarHBondContact O-N 3.07Å
154	V	89.6	Confident	83.3	Confident	6 Å²	6	59.4 Å²	59.4	4%	0.036	33%	0.329	C	S	.	.	H	α-helix	trans	-53.6	-27.9	172.5	170.5	0	0	0	0	113.6	F54 I149 N150 L186	F54-V154 HydrophobicContact CD2-CG1 4.13Å; F54-V154 HydrophobicContact CE2-CG1 4.05Å; F54-V154 HydrophobicContact CE2-CG2 4.4Å; I149-V154 HydrophobicContact CG2-CG2 3.59Å; N150-V154 WeakPolarHBondContact O-CG2 3.47Å; N150-V154 PolarHBondContact O-N 3.01Å; V154-L186 HydrophobicContact CB-CD1 4.08Å; V154-L186 HydrophobicContact CG1-CD1 3.7Å; V154-L186 HydrophobicContact CG2-CD1 3.67Å; V154-L186 HydrophobicContact CG2-CD2 4.43Å
155	M	85.1	Confident	83.3	Confident	66 Å²	66	59.7 Å²	59.7	33%	0.325	33%	0.33	S	S	.	.	H	α-helix	trans	-84.7	-25.7	179	-72.1	173.7	36.9	0	0	113.3	R52 H114 M151 A152 E153	R52-M155 VanDerWaalsContact CD-SD 3.51Å; R52-M155 VanDerWaalsContact CZ-SD 3.55Å; H114-M155 PolarHBondContact CE1-SD 2.86Å; M151-M155 WeakPolarHBondContact O-CG 3.41Å; A152-M155 WeakPolarHBondContact O-CB 3.36Å; A152-M155 PolarHBondContact O-N 3.48Å; A152-M155 VanDerWaalsContact O-N 3.13Å; E153-M155 PolarHBondContact O-N 2.89Å; E153-M155 VanDerWaalsContact O-N 3.08Å
156	Q	80.8	Confident	83.3	Confident	144 Å²	144	60.8 Å²	60.8	67%	0.673	34%	0.342	S	S	*	.	H	α-helix	trans	-87.6	-37	177.5	-65.4	174.7	-7.8	0	0	110.9	A152 E153	A152-Q156 PolarHBondContact O-N 2.76Å; E153-Q156 PolarHBondContact O-N 2.81Å
157	H	76.7	Confident	83.3	Confident	134 Å²	134	59.5 Å²	59.5	62%	0.62	34%	0.335	S	S	*	.	S	Bend	trans	-133.3	78.6	-178.4	-54.3	-47.7	0	0	0	110.8	E153 S159	E153-H157 PolarHBondContact O-N 3.07Å; H157-S159 PolarHBondContact O-N 2.8Å; H157-S159 VanDerWaalsContact O-N 3.14Å
158	P	70.3	Confident	83.3	Confident	85 Å²	85	62.5 Å²	62.5	55%	0.552	35%	0.348	S	S	*	.			trans	-60.9	114.9	169.4	-18.5	31.6	0	0	0	109.6
159	S	67.9	Low	83.1	Confident	40 Å²	40	59.1 Å²	59.1	28%	0.28	33%	0.332	S	S	.	.			trans	-96.6	122.4	-176.7	52.9	0	0	0	0	112	H157 L186	H157-S159 PolarHBondContact O-N 2.8Å; H157-S159 VanDerWaalsContact O-N 3.14Å; S159-L186 PolarHBondContact O-N 3.22Å; S159-L186 VanDerWaalsContact OG-CD1 3.31Å; S159-L186 WeakPolarHBondContact OG-CD1 3.47Å; S159-L186 VanDerWaalsContact OG-CG 3.24Å; S159-L186 WeakPolarHBondContact OG-CG 3.47Å
160	E	59	Low	82.2	Confident	168 Å²	168	66.1 Å²	66.1	79%	0.785	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	108.6	169.4	-175.8	163.7	-142.3	0	0	108
161	G	61.4	Low	81	Confident	34 Å²	34	68.6 Å²	68.6	35%	0.351	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	143.3	163.1	-165	0	0	0	0	0	112.2	Q163 V183 Y184	G161-Q163 VanDerWaalsContact C-N 3.32Å; G161-Q163 PolarHBondContact O-N 2.96Å; G161-V183 VanDerWaalsContact O-O 3.13Å; G161-Y184 PolarHBondContact N-O 2.85Å
162	A	64.8	Low	79.2	Confident	74 Å²	74	78.1 Å²	78.1	61%	0.612	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	65.6	-166.8	0	0	0	0	0	114.4	V164 V183	A162-V164 PolarHBondContact O-N 2.91Å; A162-V183 CarbonylContact C-O 3.51Å; A162-V183 VanDerWaalsContact CA-O 3.25Å; A162-V183 WeakPolarHBondContact CA-O 3.48Å
163	Q	82.6	Confident	77.5	Confident	83 Å²	83	85 Å²	85	39%	0.388	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	133.5	173.6	-173	-178.7	21.1	0	0	110.8	G161 V183 L186	G161-Q163 VanDerWaalsContact C-N 3.32Å; G161-Q163 PolarHBondContact O-N 2.96Å; Q163-V183 HydrophobicContact CB-CB 4.39Å; Q163-V183 PolarHBondContact N-O 2.85Å; Q163-V183 VanDerWaalsContact N-O 3.1Å; Q163-V183 PolarHBondContact O-N 3.45Å; Q163-L186 VanDerWaalsContact OE1-CD2 3.28Å
164	V	89.8	Confident	76.4	Confident	72 Å²	72	82.8 Å²	82.8	44%	0.436	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.2	176.2	-179.2	0	0	0	0	109.4	A162 E180	A162-V164 PolarHBondContact O-N 2.91Å; V164-E180 HydrophobicContact CG1-CB 3.93Å; V164-E180 VanDerWaalsContact CG1-CD 3.43Å; V164-E180 HydrophobicContact CG1-CG 3.61Å; V164-E180 WeakPolarHBondContact CG1-OE2 3.4Å
165	L	93.1	Very high	76	Confident	20 Å²	20	86.6 Å²	86.6	11%	0.105	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	108	175	-178.9	69.3	0	0	0	110	I125 I149 L167 E180 I181 V183	I125-L165 HydrophobicContact CB-CD2 3.84Å; I125-L165 HydrophobicContact CG1-CD2 3.59Å; I125-L165 HydrophobicContact CG2-CD2 4.16Å; I149-L165 HydrophobicContact CD1-CD2 4.2Å; I149-L165 HydrophobicContact CG1-CD1 4.23Å; I149-L165 HydrophobicContact CG1-CD2 4.14Å; L165-L167 HydrophobicContact CD2-CD2 4.16Å; L165-L167 HydrophobicContact CG-CD2 4.2Å; L165-E180 WeakPolarHBondContact O-CA 3.38Å; L165-I181 PolarHBondContact N-O 3.24Å; L165-I181 PolarHBondContact O-N 3.42Å; L165-V183 HydrophobicContact CB-CG2 4.31Å
166	G	94.1	Very high	76.1	Confident	25 Å²	25	86 Å²	86	26%	0.258	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	125.3	174.4	0	0	0	0	0	112.5	H168	G166-H168 PolarHBondContact O-ND1 3.06Å; G166-H168 VanDerWaalsContact O-ND1 3.16Å
167	L	95.1	Very high	76.5	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.1	173.7	-48.8	-172.4	0	0	0	110	I125 L127 A145 L165 V178 A179 I181	I125-L167 HydrophobicContact CB-CD2 4.39Å; I125-L167 HydrophobicContact CG2-CD2 4.26Å; L127-L167 HydrophobicContact CB-CD1 3.94Å; A145-L167 HydrophobicContact CB-CB 3.73Å; L165-L167 HydrophobicContact CD2-CD2 4.16Å; L165-L167 HydrophobicContact CG-CD2 4.2Å; L167-V178 PolarHBondContact O-N 3.41Å; L167-A179 WeakPolarHBondContact CA-O 3.43Å; L167-A179 HydrophobicContact CB-CB 4.44Å; L167-A179 WeakPolarHBondContact CB-O 3.34Å; L167-A179 HydrophobicContact CD1-CB 4.37Å; L167-A179 PolarHBondContact N-O 2.8Å; L167-A179 PolarHBondContact O-N 2.91Å; L167-I181 HydrophobicContact CD1-CD1 3.76Å; L167-I181 HydrophobicContact CD1-CG1 4.07Å; L167-I181 HydrophobicContact CD2-CD1 4.46Å; L167-I181 HydrophobicContact CG-CD1 4.43Å; L167-I181 HydrophobicContact CG-CG1 4.43Å
168	H	93.6	Very high	77.3	Confident	66 Å²	66	76 Å²	76	31%	0.306	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.3	-173	-60.6	78	0	0	0	111.7	A145 L146 G166 S175 V176	A145-H168 CarbonylContact C-O 3.56Å; A145-H168 VanDerWaalsContact CA-O 3.25Å; A145-H168 WeakPolarHBondContact CA-O 3.48Å; L146-H168 PolarHBondContact N-O 3.4Å; L146-H168 PolarHBondContact O-N 3.13Å; G166-H168 PolarHBondContact O-ND1 3.06Å; G166-H168 VanDerWaalsContact O-ND1 3.16Å; H168-S175 WeakPolarHBondContact CB-OG 3.43Å; H168-V176 CarbonylContact C-O 3.56Å; H168-V176 WeakPolarHBondContact CA-O 3.41Å
169	S	90.8	Very high	78.4	Confident	22 Å²	22	71.9 Å²	71.9	15%	0.154	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	135.7	170.6	-162.1	0	0	0	0	110.2	L144 V176	L144-S169 PolarHBondContact O-OG 3.1Å; S169-V176 PolarHBondContact N-O 3.25Å; S169-V176 PolarHBondContact O-N 3.21Å
170	Q	72.6	Confident	79.7	Confident	162 Å²	162	72.8 Å²	72.8	76%	0.757	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	97.7	169.7	-70.5	-178.5	-29.9	0	0	108.5
171	L	66.3	Low	81.3	Confident	111 Å²	111	64.8 Å²	64.8	58%	0.581	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	116.6	177.7	-85.5	165	0	0	0	108.4	D173 A174	L171-D173 PolarHBondContact O-N 2.76Å; L171-A174 PolarHBondContact O-N 3.01Å
172	K	52.7	Low	82.9	Confident	200 Å²	200	68.3 Å²	68.3	87%	0.87	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	25.8	74.6	174.1	-93.4	-167.7	164.8	-166.6	0	113	A174	K172-A174 PolarHBondContact O-N 3.41Å
173	D	54.1	Low	84.2	Confident	176 Å²	176	64.9 Å²	64.9	94%	0.941	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	5.4	168.6	-42.5	-52	0	0	0	116.5	L171	L171-D173 PolarHBondContact O-N 2.76Å
174	A	64	Low	84.5	Confident	51 Å²	51	65.4 Å²	65.4	42%	0.421	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.4	171.9	0	0	0	0	0	112.3	L171 K172 V176	L171-A174 PolarHBondContact O-N 3.01Å; K172-A174 PolarHBondContact O-N 3.41Å; A174-V176 HydrophobicContact CB-CG2 4.34Å; A174-V176 PolarHBondContact O-N 3.27Å
175	S	80.6	Confident	84.5	Confident	86 Å²	86	63.5 Å²	63.5	60%	0.601	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	96.9	173.7	-175.5	0	0	0	0	110.3	H168	H168-S175 WeakPolarHBondContact CB-OG 3.43Å
176	V	87.3	Confident	84.4	Confident	52 Å²	52	62.9 Å²	62.9	32%	0.315	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	125.8	-176.2	-177.5	0	0	0	0	110.1	K65 H168 S169 A174	K65-V176 HydrophobicContact CD-CG1 4.38Å; H168-V176 CarbonylContact C-O 3.56Å; H168-V176 WeakPolarHBondContact CA-O 3.41Å; S169-V176 PolarHBondContact N-O 3.25Å; S169-V176 PolarHBondContact O-N 3.21Å; A174-V176 HydrophobicContact CB-CG2 4.34Å; A174-V176 PolarHBondContact O-N 3.27Å
177	P	90.5	Very high	84.3	Confident	65 Å²	65	63.3 Å²	63.3	42%	0.422	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	138.9	175	27	-34.1	0	0	0	111	L64	L64-P177 HydrophobicContact CD1-CB 4.21Å
178	V	92.1	Very high	84.1	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.018	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	-38	-177.7	172.3	0	0	0	0	111.7	M63 L64 K65 L67 A145 L167	M63-V178 HydrophobicContact CE-CG1 3.96Å; L64-V178 PolarHBondContact N-O 2.96Å; K65-V178 PolarHBondContact N-O 3.28Å; K65-V178 VanDerWaalsContact N-O 3.11Å; L67-V178 HydrophobicContact CD2-CG1 3.94Å; A145-V178 HydrophobicContact CB-CB 3.72Å; A145-V178 HydrophobicContact CB-CG1 4.01Å; A145-V178 HydrophobicContact CB-CG2 4.09Å; L167-V178 PolarHBondContact O-N 3.41Å
179	A	93.8	Very high	83.9	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	159.9	-178.2	0	0	0	0	0	110.8	L61 I62 M63 L127 L167	L61-A179 HydrophobicContact CD1-CB 4Å; I62-A179 CarbonylContact O-C 3.42Å; I62-A179 WeakPolarHBondContact O-CA 3.35Å; I62-A179 VanDerWaalsContact O-CB 3.3Å; I62-A179 WeakPolarHBondContact O-CB 3.44Å; M63-A179 HydrophobicContact CE-CB 4.01Å; M63-A179 HydrophobicContact SD-CB 3.8Å; L127-A179 HydrophobicContact CD2-CB 4.25Å; L167-A179 WeakPolarHBondContact CA-O 3.43Å; L167-A179 HydrophobicContact CB-CB 4.44Å; L167-A179 WeakPolarHBondContact CB-O 3.34Å; L167-A179 HydrophobicContact CD1-CB 4.37Å; L167-A179 PolarHBondContact N-O 2.8Å; L167-A179 PolarHBondContact O-N 2.91Å
180	E	94.6	Very high	83.8	Confident	59 Å²	59	68.4 Å²	68.4	28%	0.276	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.3	167.6	-80.9	172.7	-168.1	0	0	110.3	I62 L64 V164 L165	I62-E180 HydrophobicContact CB-CB 4.31Å; I62-E180 PolarHBondContact N-O 2.88Å; I62-E180 PolarHBondContact O-N 3.02Å; L64-E180 HydrophobicContact CD1-CG 3.9Å; L64-E180 HydrophobicContact CG-CG 4.45Å; V164-E180 HydrophobicContact CG1-CB 3.93Å; V164-E180 VanDerWaalsContact CG1-CD 3.43Å; V164-E180 HydrophobicContact CG1-CG 3.61Å; V164-E180 WeakPolarHBondContact CG1-OE2 3.4Å; L165-E180 WeakPolarHBondContact O-CA 3.38Å
181	I	94.6	Very high	84.4	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.3	169.2	-71.2	-176.8	0	0	0	109	L58 K60 L61 I76 I125 L165 L167 V183	L58-I181 HydrophobicContact CB-CG2 4.06Å; L58-I181 HydrophobicContact CD1-CD1 4.36Å; L58-I181 HydrophobicContact CD1-CG2 3.94Å; L58-I181 HydrophobicContact CD2-CG2 3.7Å; L58-I181 HydrophobicContact CG-CG2 4.11Å; K60-I181 CarbonylContact O-C 3.13Å; K60-I181 WeakPolarHBondContact O-CA 3.38Å; L61-I181 HydrophobicContact CD1-CD1 4.3Å; L61-I181 HydrophobicContact CD1-CG1 3.77Å; I76-I181 HydrophobicContact CD1-CD1 3.85Å; I76-I181 HydrophobicContact CG1-CD1 4.22Å; I76-I181 HydrophobicContact CG2-CD1 4.37Å; I125-I181 HydrophobicContact CG2-CD1 4.06Å; L165-I181 PolarHBondContact N-O 3.24Å; L165-I181 PolarHBondContact O-N 3.42Å; L167-I181 HydrophobicContact CD1-CD1 3.76Å; L167-I181 HydrophobicContact CD1-CG1 4.07Å; L167-I181 HydrophobicContact CD2-CD1 4.46Å; L167-I181 HydrophobicContact CG-CD1 4.43Å; L167-I181 HydrophobicContact CG-CG1 4.43Å; I181-V183 PolarHBondContact O-N 2.85Å
182	R	93.3	Very high	84.8	Confident	107 Å²	107	64.2 Å²	64.2	40%	0.404	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	105.7	170.5	-64.1	-170.2	-178	-165	1.6	109.5	K59 K60	K59-R182 PolarHBondContact N-O 2.89Å; K60-R182 HydrophobicContact CB-CB 3.98Å; K60-R182 HydrophobicContact CB-CG 4.1Å; K60-R182 PolarHBondContact O-N 2.89Å
183	V	92.7	Very high	85	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.012	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.1	168	-175.9	0	0	0	0	108.2	L56 L58 G161 A162 Q163 L165 I181 L186	L56-V183 HydrophobicContact CD1-CB 4.43Å; L56-V183 HydrophobicContact CD1-CG1 3.49Å; L56-V183 VanDerWaalsContact CD1-CG1 3.49Å; L56-V183 HydrophobicContact CD1-CG2 4.11Å; L58-V183 HydrophobicContact CD2-CG2 3.9Å; G161-V183 VanDerWaalsContact O-O 3.13Å; A162-V183 CarbonylContact C-O 3.51Å; A162-V183 VanDerWaalsContact CA-O 3.25Å; A162-V183 WeakPolarHBondContact CA-O 3.48Å; Q163-V183 HydrophobicContact CB-CB 4.39Å; Q163-V183 PolarHBondContact N-O 2.85Å; Q163-V183 VanDerWaalsContact N-O 3.1Å; Q163-V183 PolarHBondContact O-N 3.45Å; L165-V183 HydrophobicContact CB-CG2 4.31Å; I181-V183 PolarHBondContact O-N 2.85Å; V183-L186 HydrophobicContact CG1-CB 4.21Å; V183-L186 HydrophobicContact CG1-CD2 4.12Å; V183-L186 HydrophobicContact CG1-CG 4.42Å
184	Y	89.7	Confident	84.5	Confident	95 Å²	95	58.5 Å²	58.5	37%	0.373	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-39.5	179.6	172.7	-108.3	0	0	0	112.7	T57 K59 G161	T57-Y184 HydrophobicContact CG2-CD1 4.28Å; T57-Y184 PolarHBondContact O-N 3.44Å; K59-Y184 HydrophobicContact CD-CD1 4.38Å; K59-Y184 HydrophobicContact CD-CD2 3.65Å; K59-Y184 HydrophobicContact CD-CE2 4.41Å; K59-Y184 HydrophobicContact CD-CG 3.62Å; K59-Y184 VanDerWaalsContact CE-CG 3.41Å; K59-Y184 HydrophobicContact CG-CG 4.18Å; K59-Y184 VanDerWaalsContact NZ-CZ 3.31Å; G161-Y184 PolarHBondContact N-O 2.85Å
185	S	89.6	Confident	83.2	Confident	31 Å²	31	58.2 Å²	58.2	22%	0.217	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	140.5	176.4	56	0	0	0	0	109	T57	T57-S185 WeakPolarHBondContact CB-OG 3.5Å; T57-S185 PolarHBondContact N-O 3.37Å; T57-S185 PolarHBondContact OG1-OG 3.05Å
186	L	91.2	Very high	81.1	Confident	8 Å²	8	60.7 Å²	60.7	4%	0.042	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	145	169.5	60.1	76.9	0	0	0	109.8	F54 N55 L56 V154 S159 Q163 V183	F54-L186 HydrophobicContact CE2-CB 4.43Å; N55-L186 WeakPolarHBondContact O-CA 3.37Å; L56-L186 HydrophobicContact CD1-CB 4.1Å; V154-L186 HydrophobicContact CB-CD1 4.08Å; V154-L186 HydrophobicContact CG1-CD1 3.7Å; V154-L186 HydrophobicContact CG2-CD1 3.67Å; V154-L186 HydrophobicContact CG2-CD2 4.43Å; S159-L186 PolarHBondContact O-N 3.22Å; S159-L186 VanDerWaalsContact OG-CD1 3.31Å; S159-L186 WeakPolarHBondContact OG-CD1 3.47Å; S159-L186 VanDerWaalsContact OG-CG 3.24Å; S159-L186 WeakPolarHBondContact OG-CG 3.47Å; Q163-L186 VanDerWaalsContact OE1-CD2 3.28Å; V183-L186 HydrophobicContact CG1-CB 4.21Å; V183-L186 HydrophobicContact CG1-CD2 4.12Å; V183-L186 HydrophobicContact CG1-CG 4.42Å
187	S	90.8	Very high	78.6	Confident	33 Å²	33	65.7 Å²	65.7	23%	0.231	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	152.3	178.4	63.9	0	0	0	0	111.3	F54 N55	F54-S187 CarbonylContact C-O 3.55Å; F54-S187 WeakPolarHBondContact CA-O 3.41Å; F54-S187 WeakPolarHBondContact CD2-O 3.31Å; N55-S187 PolarHBondContact N-O 2.96Å; N55-S187 PolarHBondContact O-N 2.72Å
188	S	91.5	Very high	76	Confident	11 Å²	11	66.9 Å²	66.9	8%	0.077	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	126.6	168.1	-179.6	0	0	0	0	109	R52 L53 Y112	R52-S188 PolarHBondContact NH1-O 3.48Å; R52-S188 PolarHBondContact NH1-OG 2.76Å; L53-S188 WeakPolarHBondContact O-CA 3.43Å; Y112-S188 PolarHBondContact OH-OG 3.34Å
189	Q	90	Very high	73.6	Confident	114 Å²	114	76.6 Å²	76.6	53%	0.533	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	148.4	178.7	-69.3	176.4	-15.7	0	0	110	R52 L53	R52-Q189 CarbonylContact C-O 3.57Å; R52-Q189 WeakPolarHBondContact CA-O 3.1Å; R52-Q189 VanDerWaalsContact CB-O 3.27Å; R52-Q189 WeakPolarHBondContact CB-O 3.49Å; L53-Q189 PolarHBondContact N-O 2.76Å; L53-Q189 PolarHBondContact O-N 3.08Å
190	P	88.1	Confident	70.7	Confident	70 Å²	70	84.8 Å²	84.8	46%	0.455	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	154.7	171.1	31.3	-34.3	0	0	0	110.5
191	I	85.8	Confident	67.8	Low	43 Å²	43	87.5 Å²	87.5	22%	0.221	47%	0.469	C	S	.	.			trans	-102.9	114.6	167.4	-61.3	168.2	0	0	0	106.9	P51 L53 Q111 H193	P51-I191 HydrophobicContact CB-CB 4.24Å; P51-I191 HydrophobicContact CB-CD1 4.37Å; P51-I191 PolarHBondContact O-N 2.78Å; L53-I191 HydrophobicContact CB-CD1 4.36Å; L53-I191 HydrophobicContact CB-CG1 4.11Å; Q111-I191 HydrophobicContact CB-CD1 3.9Å; Q111-I191 HydrophobicContact CG-CD1 3.77Å; I191-H193 PolarHBondContact O-N 3.02Å
192	D	74.7	Confident	65.1	Low	143 Å²	143	94.4 Å²	94.4	77%	0.765	51%	0.506	S	S	*	.			trans	-70.8	100.6	176.7	-62.2	-45.8	0	0	0	109.9	E194	D192-E194 VanDerWaalsContact C-N 3.34Å; D192-E194 PolarHBondContact O-N 3.46Å
193	H	56.1	Low	62.2	Low	125 Å²	125	100.6 Å²	100.6	58%	0.579	53%	0.53	S	S	*	.			trans	-74.7	89.3	167.6	-81.1	-100.7	0	0	0	109	I191 G195	I191-H193 PolarHBondContact O-N 3.02Å; H193-G195 VanDerWaalsContact C-N 3.29Å; H193-G195 PolarHBondContact O-N 3.43Å
194	E	44.5	Very low	59.2	Low	131 Å²	131	105.6 Å²	105.6	61%	0.612	57%	0.565	S	S	*	*			trans	-58.6	95.5	160	-77.5	-117.1	124.3	0	0	108.8	D192 K197	D192-E194 VanDerWaalsContact C-N 3.34Å; D192-E194 PolarHBondContact O-N 3.46Å; E194-K197 WeakPolarHBondContact OE1-CE 3.35Å; E194-K197 IonicContact OE1-NZ 3.18Å; E194-K197 PolarHBondContact OE1-NZ 2.85Å; E194-K197 WeakPolarHBondContact OE2-CE 3.25Å; E194-K197 IonicContact OE2-NZ 3.72Å; E194-K197 PolarHBondContact OE2-NZ 3.3Å
195	G	35.5	Very low	57.3	Low	45 Å²	45	106.8 Å²	106.8	46%	0.464	58%	0.584	S	S	.	*			trans	-64.3	163.6	172.1	0	0	0	0	0	111.6	H193 K197	H193-G195 VanDerWaalsContact C-N 3.29Å; H193-G195 PolarHBondContact O-N 3.43Å; G195-K197 PolarHBondContact O-N 2.91Å; G195-K197 VanDerWaalsContact O-N 3.1Å
196	P	37.1	Very low	54.5	Low	138 Å²	138	112.6 Å²	112.6	90%	0.896	61%	0.613	S	S	*	*			trans	-53.7	120.1	172.7	-23.3	33.9	0	0	0	110	A198	P196-A198 PolarHBondContact O-N 3Å
197	K	34.8	Very low	51.7	Low	157 Å²	157	119.3 Å²	119.3	68%	0.683	65%	0.647	S	S	*	*			trans	-72.1	87.9	-169.5	-79.1	177.8	166.7	161.2	0	112.4	E194 G195	E194-K197 WeakPolarHBondContact OE1-CE 3.35Å; E194-K197 IonicContact OE1-NZ 3.18Å; E194-K197 PolarHBondContact OE1-NZ 2.85Å; E194-K197 WeakPolarHBondContact OE2-CE 3.25Å; E194-K197 IonicContact OE2-NZ 3.72Å; E194-K197 PolarHBondContact OE2-NZ 3.3Å; G195-K197 PolarHBondContact O-N 2.91Å; G195-K197 VanDerWaalsContact O-N 3.1Å
198	A	35.9	Very low	49	Very low	90 Å²	90	124.5 Å²	124.5	74%	0.744	67%	0.672	S	S	*	*			trans	-57.6	145.8	159.9	0	0	0	0	0	110.2	P196	P196-A198 PolarHBondContact O-N 3Å
199	K	41	Very low	46.1	Very low	206 Å²	206	130.9 Å²	130.9	90%	0.896	71%	0.706	S	S	*	*			trans	-88.6	111.4	-173.5	-62.9	173.7	-177.8	172.2	0	111.9
200	M	33.3	Very low	43.4	Very low	173 Å²	173	135.9 Å²	135.9	85%	0.852	72%	0.721	S	S	*	*			trans	-167.3	126.6	145.9	38.9	-168.2	164.2	0	0	107.3
201	S	34	Very low	40.9	Very low	115 Å²	115	137.7 Å²	137.7	80%	0.804	74%	0.735	S	S	*	*			cis	72.8	80.5	48.5	-163.3	0	0	0	0	112.6	R203	S201-R203 PolarHBondContact O-N 3.2Å
202	D	37.3	Very low	38.5	Very low	145 Å²	145	143.7 Å²	143.7	78%	0.775	76%	0.762	S	S	*	*			trans	-18.8	119	151.8	172.7	29.2	0	0	0	115.4
203	R	33.1	Very low	36.6	Very low	238 Å²	238	146 Å²	146	90%	0.898	77%	0.769	S	S	*	*			trans	-147.3	144.9	137.1	-74.2	-158.9	172	155.3	0.3	109.9	S201	S201-R203 PolarHBondContact O-N 3.2Å
204	S	30.3	Very low	35.6	Very low	106 Å²	106	149 Å²	149	74%	0.741	78%	0.783	S	S	*	*			trans	-79.8	167.5	168.2	66.9	0	0	0	0	111.2
205	P	48.1	Very low	35.2	Very low	120 Å²	120	151.3 Å²	151.3	78%	0.779	79%	0.794	S	S	*	*			trans	-83.4	147.5	-164.4	33.8	-35	0	0	0	113.3
206	D	31.2	Very low	35	Very low	153 Å²	153	158.4 Å²	158.4	82%	0.818	82%	0.815	S	S	*	*			trans	-162.7	157.2	133.2	-132.5	-29.4	0	0	0	112.3
207	I	32.3	Very low	34.7	Very low	150 Å²	150	157.3 Å²	157.3	77%	0.769	81%	0.81	S	S	*	*			trans	64.3	129.8	165.6	-67.3	171	0	0	0	118.9
208	D	34.7	Very low	34.5	Very low	141 Å²	141	160 Å²	160	75%	0.754	82%	0.817	S	S	*	*			trans	-67.1	146.5	173.5	-49.3	-93	0	0	0	113.5
209	N	30.2	Very low	34.1	Very low	146 Å²	146	160.9 Å²	160.9	78%	0.781	82%	0.818	S	S	*	*			trans	-146.2	108	152.4	-171.9	83.2	0	0	0	111	S211	N209-S211 PolarHBondContact O-N 2.79Å
210	Y	34.3	Very low	33.7	Very low	219 Å²	219	155.6 Å²	155.6	86%	0.859	81%	0.808	S	S	*	*			trans	-66.8	128.1	166.7	-83.2	-109	0	0	0	109.9
211	S	34.8	Very low	33.7	Very low	107 Å²	107	157.1 Å²	157.1	75%	0.748	81%	0.813	S	S	*	*			trans	-152.7	136.7	141.6	-163.8	0	0	0	0	108.5	N209	N209-S211 PolarHBondContact O-N 2.79Å
212	E	34.6	Very low	33.6	Very low	169 Å²	169	160.6 Å²	160.6	79%	0.79	82%	0.816	S	S	*	*			trans	-78	158.8	166.2	-60	176.7	147.1	0	0	109.1
213	E	34.9	Very low	33.5	Very low	193 Å²	193	162.8 Å²	162.8	90%	0.902	82%	0.822	S	S	*	*				162.5	169	124.6	-85.1	174.8	-133.8	0	0	110.8
214	E	34.8	Very low	33.4	Very low	188 Å²	188	155.3 Å²	155.3	88%	0.879	82%	0.819	S	S	*	*			trans	-96.6	159.1	-152.6	-55.1	176.2	131.6	0	0	114.2
215	E	37.5	Very low	33.5	Very low	179 Å²	179	156.3 Å²	156.3	84%	0.836	83%	0.826	S	S	*	*				-173.7	98.5	124.8	-106.1	-174.2	-164.4	0	0	111.8	S217	E215-S217 PolarHBondContact O-N 2.89Å
216	E	31.8	Very low	32.7	Very low	193 Å²	193	157.6 Å²	157.6	90%	0.902	83%	0.826	S	S	*	*			trans	-82.3	82.9	167.3	-70	-163.5	149.8	0	0	110.8	Y218	E216-Y218 PolarHBondContact O-N 3.3Å
217	S	30.6	Very low	32.9	Very low	115 Å²	115	156.8 Å²	156.8	80%	0.804	82%	0.822	S	S	*	*			trans	-69.8	88.2	172.2	-94.1	0	0	0	0	112	E215	E215-S217 PolarHBondContact O-N 2.89Å
218	Y	30	Very low	33.6	Very low	213 Å²	213	153.9 Å²	153.9	84%	0.835	81%	0.813	S	S	*	*			trans	-126.9	101.6	178.8	-146.7	-66.8	0	0	0	111.5	E216	E216-Y218 PolarHBondContact O-N 3.3Å
219	S	28	Very low	33.3	Very low	109 Å²	109	154 Å²	154	76%	0.762	81%	0.812	S	S	*	*			trans	-160.5	108	163.2	-77.5	0	0	0	0	107.3
220	S	32.7	Very low	33.2	Very low	96 Å²	96	155.9 Å²	155.9	67%	0.671	82%	0.816	S	S	*	*				87.6	116.6	61.5	70.7	0	0	0	0	112.8
221	E	32.9	Very low	33.1	Very low	205 Å²	205	148.8 Å²	148.8	96%	0.958	81%	0.809	S	S	*	*			trans	-74	135.3	171.7	-55.1	172	136.2	0	0	109.5
222	Q	31.8	Very low	32.8	Very low	187 Å²	187	150.3 Å²	150.3	87%	0.874	80%	0.804	S	S	*	*			trans	-146.7	138.2	168.3	-167.4	162.5	-3.7	0	0	111.8
223	E	35.4	Very low	32.6	Very low	191 Å²	191	151.2 Å²	151.2	89%	0.893	80%	0.802	S	S	*	*			trans	-70.3	137	-179.7	-71.2	162.9	100.4	0	0	112.1
224	G	30.5	Very low	32.6	Very low	82 Å²	82	148.4 Å²	148.4	85%	0.845	79%	0.792	S	S	*	*			trans	-84.8	110.5	167.5	0	0	0	0	0	111
225	S	31.8	Very low	32.3	Very low	126 Å²	126	148.9 Å²	148.9	88%	0.881	79%	0.787	S	S	*	*			trans	-81.2	149.5	158	-174.7	0	0	0	0	109.3
226	D	32.5	Very low	32.1	Very low	147 Å²	147	146.4 Å²	146.4	79%	0.786	78%	0.78	S	S	*	*			trans	-99.8	173.3	-173.1	-155.9	1.5	0	0	0	113.2
227	D	34.8	Very low	32.1	Very low	137 Å²	137	145.3 Å²	145.3	73%	0.733	78%	0.775	S	S	*	*			trans	82.4	153.3	160.4	-123.1	29.1	0	0	0	118
228	P	46.3	Very low	32.2	Very low	89 Å²	89	146.9 Å²	146.9	58%	0.578	77%	0.774	S	S	*	*				-140.1	-171.5	-81.8	40.7	-24.7	0	0	0	116.6
229	I	28.7	Very low	32.2	Very low	143 Å²	143	143.7 Å²	143.7	73%	0.733	77%	0.771	S	S	*	*			trans	112.8	108.2	149.6	-69.5	156.5	0	0	0	120.7
230	H	29.4	Very low	32.3	Very low	186 Å²	186	143.3 Å²	143.3	86%	0.861	76%	0.757	S	S	*	*			trans	65	146	141.2	-81.5	67.7	0	0	0	125.4
231	G	30.5	Very low	32.4	Very low	69 Å²	69	144.1 Å²	144.1	71%	0.711	76%	0.758	S	S	*	*			trans	99.8	89.7	162.1	0	0	0	0	0	113.8
232	Q	28.6	Very low	32.2	Very low	140 Å²	140	141.5 Å²	141.5	65%	0.654	74%	0.74	S	S	*	*			cis	80	126	48.3	-155	-174.2	15.3	0	0	113.9
233	Y	30.6	Very low	32.1	Very low	187 Å²	187	141 Å²	141	73%	0.733	74%	0.735	S	S	*	*			trans	71	158.6	-179.3	-44.5	-75.1	0	0	0	116.4
234	L	34.9	Very low	31.9	Very low	135 Å²	135	141.8 Å²	141.8	71%	0.707	74%	0.735	S	S	*	*			cis	-171.7	134.5	-39.7	-101.4	177.3	0	0	0	106.2
235	Y	29.6	Very low	32	Very low	198 Å²	198	147.4 Å²	147.4	78%	0.776	74%	0.736	S	S	*	*			trans	65	149.6	154.1	-85.4	-114.5	0	0	0	122
236	D	33.7	Very low	32.4	Very low	126 Å²	126	146.9 Å²	146.9	67%	0.674	73%	0.73	S	S	*	*			trans	56.1	131.9	153.2	-55.3	-9.9	0	0	0	119.8
237	E	31.2	Very low	32.1	Very low	171 Å²	171	150.3 Å²	150.3	80%	0.799	73%	0.732	S	S	*	*			cis	102	148.4	40.2	-168.7	167.4	-139.3	0	0	112
238	D	31.8	Very low	32	Very low	147 Å²	147	154.6 Å²	154.6	79%	0.786	74%	0.737	S	S	*	*			trans	58.9	87.1	177.4	-76.9	-13.6	0	0	0	121.2
239	D	29.8	Very low	31.3	Very low	146 Å²	146	160 Å²	160	78%	0.781	75%	0.752	S	S	*	*				34.4	163.9	103	-149	10	0	0	0	124.1
240	E	31.1	Very low	31.4	Very low	101 Å²	101	161.4 Å²	161.4	47%	0.472	76%	0.76	S	S	.	*			trans	94.1	47.5	142.2	-100.9	-89.3	107.5	0	0	124.6	R242	E240-R242 VanDerWaalsContact CD-CZ 3.49Å; E240-R242 VanDerWaalsContact CD-NH1 3.27Å; E240-R242 PolarHBondContact O-NH1 3.46Å; E240-R242 VanDerWaalsContact O-NH1 3.17Å; E240-R242 IonicContact OE1-CZ 3.41Å; E240-R242 IonicContact OE1-NH1 2.68Å; E240-R242 PolarHBondContact OE1-NH1 3.04Å; E240-R242 IonicContact OE1-NH2 2.68Å; E240-R242 PolarHBondContact OE1-NH2 3.41Å; E240-R242 IonicContact OE2-CZ 2.86Å; E240-R242 IonicContact OE2-NH1 2.66Å; E240-R242 PolarHBondContact OE2-NH1 3.23Å; E240-R242 IonicContact OE2-NH2 3.11Å; E240-R242 PolarHBondContact OE2-NH2 2.84Å
241	V	33.7	Very low	31.5	Very low	113 Å²	113	158 Å²	158	69%	0.685	75%	0.754	S	S	*	*			trans	66.3	160.5	134.4	-151.2	0	0	0	0	120.5
242	R	29.7	Very low	31.7	Very low	151 Å²	151	160.4 Å²	160.4	57%	0.57	76%	0.758	S	S	*	*			trans	105.6	140.4	150.8	-60.1	143.1	-169.2	138.7	-0.2	115.5	E240	E240-R242 VanDerWaalsContact CD-CZ 3.49Å; E240-R242 VanDerWaalsContact CD-NH1 3.27Å; E240-R242 PolarHBondContact O-NH1 3.46Å; E240-R242 VanDerWaalsContact O-NH1 3.17Å; E240-R242 IonicContact OE1-CZ 3.41Å; E240-R242 IonicContact OE1-NH1 2.68Å; E240-R242 PolarHBondContact OE1-NH1 3.04Å; E240-R242 IonicContact OE1-NH2 2.68Å; E240-R242 PolarHBondContact OE1-NH2 3.41Å; E240-R242 IonicContact OE2-CZ 2.86Å; E240-R242 IonicContact OE2-NH1 2.66Å; E240-R242 PolarHBondContact OE2-NH1 3.23Å; E240-R242 IonicContact OE2-NH2 3.11Å; E240-R242 PolarHBondContact OE2-NH2 2.84Å
243	K	30.3	Very low	31.6	Very low	177 Å²	177	161.9 Å²	161.9	77%	0.77	77%	0.77	S	S	*	*			cis	-167.2	146.3	0.4	-113.3	162.9	-169	163.8	0	109.2
244	K	30.6	Very low	31.6	Very low	207 Å²	207	157.4 Å²	157.4	90%	0.9	77%	0.772	S	S	*	*			trans	152.8	145.3	130.1	-82.9	171.2	-172.4	176.8	0	113.7
245	K	32.4	Very low	31.5	Very low	200 Å²	200	156.9 Å²	156.9	87%	0.87	78%	0.779	S	S	*	*			trans	-94.5	-168.6	178.4	-42.4	178.7	176.6	-179.8	0	109.9
246	P	40.2	Very low	31.5	Very low	115 Å²	115	152.2 Å²	152.2	75%	0.747	78%	0.775	S	S	*	*			cis	-141.2	157.6	-11.6	37.1	-18.8	0	0	0	117
247	R	26.8	Very low	32.1	Very low	219 Å²	219	153.3 Å²	153.3	83%	0.826	79%	0.787	S	S	*	*				-169.9	153.2	127.3	-129.2	177	154.5	89.8	-3.2	115.9
248	R	31.2	Very low	32.3	Very low	226 Å²	226	155.8 Å²	155.8	85%	0.853	79%	0.789	S	S	*	*			trans	67	159.6	169.1	-74.1	-176.9	166	129.1	-3.8	116.6
249	K	31.4	Very low	33.2	Very low	204 Å²	204	158.1 Å²	158.1	89%	0.887	80%	0.795	S	S	*	*			trans	-123.6	144.3	-162.6	-58.6	179.4	177.6	-175.8	0	110.5
250	L	32	Very low	34	Very low	172 Å²	172	156.1 Å²	156.1	90%	0.901	79%	0.79	S	S	*	*			trans	-148.6	125.7	156.3	-95.9	167.1	0	0	0	108
251	P	31.7	Very low	34.8	Very low	114 Å²	114	154.9 Å²	154.9	74%	0.74	79%	0.787	S	S	*	*			trans	-99.2	-172.5	169.2	45.2	-36.8	0	0	0	109
252	P	34.2	Very low	35.8	Very low	120 Å²	120	156.7 Å²	156.7	78%	0.779	79%	0.791	S	S	*	*	P	Polyproline II helix		-95	158.3	-126.7	5.8	17.3	0	0	0	114.3
253	N	27.5	Very low	36.6	Very low	171 Å²	171	156.9 Å²	156.9	91%	0.914	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-70.9	128	166.9	-82.4	-8.8	0	0	0	110.5
254	A	28.7	Very low	37.7	Very low	93 Å²	93	154.6 Å²	154.6	77%	0.769	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-76.4	159.8	167.1	0	0	0	0	0	111.4
255	S	34.5	Very low	38.9	Very low	124 Å²	124	152.7 Å²	152.7	87%	0.867	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-67.6	133.7	170.7	45.7	0	0	0	0	111.3
256	S	29.7	Very low	39.9	Very low	99 Å²	99	149.4 Å²	149.4	69%	0.692	77%	0.766	S	S	*	*			trans	-150.9	128.9	158.8	74	0	0	0	0	111.6
257	T	45.5	Very low	40.7	Very low	149 Å²	149	147.5 Å²	147.5	91%	0.914	75%	0.751	S	S	*	*			trans	-86.3	107.7	174	34.3	0	0	0	0	109.6
258	R	36	Very low	42.1	Very low	224 Å²	224	139.9 Å²	139.9	85%	0.845	74%	0.735	S	S	*	*			trans	-134.2	131.3	172.4	-70.5	-166.5	174.3	-153.1	-0.2	111.7
259	Q	50.5	Low	43.3	Very low	196 Å²	196	133.5 Å²	133.5	92%	0.916	72%	0.718	S	S	*	*			trans	-82.6	142.6	173.7	-69.2	-157.9	3	0	0	112.3
260	P	46.6	Very low	44.4	Very low	103 Å²	103	128.4 Å²	128.4	67%	0.669	70%	0.7	S	S	*	*			trans	-129.7	157.6	147.9	24.1	-4.7	0	0	0	111.7
261	N	46.8	Very low	45.3	Very low	76 Å²	76	128.1 Å²	128.1	41%	0.406	69%	0.691	S	S	.	*			cis	-157.8	91.9	-11.6	-111	-25.1	0	0	0	108.9	K263 Q264 K265	N261-K263 VanDerWaalsContact C-N 3.27Å; N261-K263 PolarHBondContact O-N 3.43Å; N261-Q264 HydrophobicContact CB-CB 3.97Å; N261-Q264 HydrophobicContact CB-CG 3.9Å; N261-Q264 PolarHBondContact ND2-OE1 3.45Å; N261-Q264 PolarHBondContact O-N 2.99Å; N261-K265 PolarHBondContact O-N 3.37Å
262	I	54.7	Low	46.2	Very low	151 Å²	151	133.1 Å²	133.1	77%	0.774	70%	0.695	S	S	*	*	H	α-helix	trans	-67.2	-31.6	179.7	-148.8	167.4	0	0	0	111.6	Q264 K265 F266	I262-Q264 PolarHBondContact O-N 3.23Å; I262-K265 PolarHBondContact O-N 3.27Å; I262-F266 PolarHBondContact O-N 2.79Å
263	K	47.4	Very low	46.5	Very low	154 Å²	154	135.2 Å²	135.2	67%	0.67	69%	0.692	S	S	*	*	H	α-helix	trans	-57.5	-45.6	172.3	-73.9	-169.1	174.5	-171.5	0	112	N261 K265 F266 V267	N261-K263 VanDerWaalsContact C-N 3.27Å; N261-K263 PolarHBondContact O-N 3.43Å; K263-K265 PolarHBondContact O-N 2.96Å; K263-F266 PolarHBondContact O-N 2.99Å; K263-V267 WeakPolarHBondContact O-CG2 3.31Å; K263-V267 PolarHBondContact O-N 3.27Å
264	Q	52.2	Low	47.4	Very low	129 Å²	129	135.3 Å²	135.3	60%	0.603	69%	0.685	S	S	*	*	H	α-helix	trans	-65	-38.8	178.5	-70.7	178	-38.2	0	0	112.3	N261 I262 F266 V267 A268	N261-Q264 HydrophobicContact CB-CB 3.97Å; N261-Q264 HydrophobicContact CB-CG 3.9Å; N261-Q264 PolarHBondContact ND2-OE1 3.45Å; N261-Q264 PolarHBondContact O-N 2.99Å; I262-Q264 PolarHBondContact O-N 3.23Å; Q264-F266 VanDerWaalsContact C-N 3.33Å; Q264-F266 PolarHBondContact O-N 3.18Å; Q264-V267 PolarHBondContact O-N 3.4Å; Q264-A268 VanDerWaalsContact O-CB 3.3Å; Q264-A268 WeakPolarHBondContact O-CB 3.38Å; Q264-A268 PolarHBondContact O-N 2.94Å
265	K	56.6	Low	47.9	Very low	167 Å²	167	136.4 Å²	136.4	73%	0.726	68%	0.681	S	S	*	*	H	α-helix	trans	-65.8	-34.9	174.1	-69.2	-173.7	176.6	-178.5	0	112.1	N261 I262 K263 L269	N261-K265 PolarHBondContact O-N 3.37Å; I262-K265 PolarHBondContact O-N 3.27Å; K263-K265 PolarHBondContact O-N 2.96Å; K265-L269 WeakPolarHBondContact O-CB 3.43Å; K265-L269 PolarHBondContact O-N 3.09Å
266	F	54.3	Low	48.2	Very low	132 Å²	132	134.9 Å²	134.9	58%	0.579	67%	0.671	S	S	*	*	H	α-helix	trans	-71.9	-42	176	-152.3	-99.7	0	0	0	112.5	I262 K263 Q264 A268 L269 L270	I262-F266 PolarHBondContact O-N 2.79Å; K263-F266 PolarHBondContact O-N 2.99Å; Q264-F266 VanDerWaalsContact C-N 3.33Å; Q264-F266 PolarHBondContact O-N 3.18Å; F266-A268 VanDerWaalsContact C-N 3.35Å; F266-A268 PolarHBondContact O-N 2.93Å; F266-L269 WeakPolarHBondContact O-CB 3.34Å; F266-L269 PolarHBondContact O-N 3.03Å; F266-L269 VanDerWaalsContact O-N 3.14Å; F266-L270 HydrophobicContact CD1-CD1 3.78Å; F266-L270 HydrophobicContact CD1-CG 4.3Å; F266-L270 HydrophobicContact CE1-CD1 3.95Å; F266-L270 HydrophobicContact CE1-CG 4.34Å; F266-L270 WeakPolarHBondContact O-CG 3.4Å; F266-L270 PolarHBondContact O-N 2.89Å
267	V	56.2	Low	48.9	Very low	74 Å²	74	137.8 Å²	137.8	45%	0.448	68%	0.679	S	S	.	*	H	α-helix	trans	-63.5	-39.3	173	170.7	0	0	0	0	111.4	K263 Q264 L269 L270 K271	K263-V267 WeakPolarHBondContact O-CG2 3.31Å; K263-V267 PolarHBondContact O-N 3.27Å; Q264-V267 PolarHBondContact O-N 3.4Å; V267-L269 VanDerWaalsContact C-N 3.3Å; V267-L269 PolarHBondContact O-N 2.91Å; V267-L270 PolarHBondContact O-N 2.75Å; V267-K271 HydrophobicContact CG1-CD 4.4Å; V267-K271 WeakPolarHBondContact O-CB 3.34Å; V267-K271 WeakPolarHBondContact O-CG 3.24Å; V267-K271 PolarHBondContact O-N 2.85Å
268	A	57.2	Low	49.2	Very low	59 Å²	59	139.1 Å²	139.1	49%	0.488	68%	0.675	S	S	.	*	H	α-helix	trans	-65.2	-32.9	173.1	0	0	0	0	0	112.6	Q264 F266 R272	Q264-A268 VanDerWaalsContact O-CB 3.3Å; Q264-A268 WeakPolarHBondContact O-CB 3.38Å; Q264-A268 PolarHBondContact O-N 2.94Å; F266-A268 VanDerWaalsContact C-N 3.35Å; F266-A268 PolarHBondContact O-N 2.93Å; A268-R272 WeakPolarHBondContact O-CB 3.33Å; A268-R272 PolarHBondContact O-N 2.93Å
269	L	55	Low	49.4	Very low	93 Å²	93	134.2 Å²	134.2	49%	0.487	67%	0.669	S	S	.	*	H	α-helix	trans	-71.1	-44.3	174.5	-164.3	72.3	0	0	0	111.5	K265 F266 V267 R272 F273	K265-L269 WeakPolarHBondContact O-CB 3.43Å; K265-L269 PolarHBondContact O-N 3.09Å; F266-L269 WeakPolarHBondContact O-CB 3.34Å; F266-L269 PolarHBondContact O-N 3.03Å; F266-L269 VanDerWaalsContact O-N 3.14Å; V267-L269 VanDerWaalsContact C-N 3.3Å; V267-L269 PolarHBondContact O-N 2.91Å; L269-R272 CarbonylContact O-C 3.51Å; L269-R272 WeakPolarHBondContact O-CA 3.42Å; L269-R272 WeakPolarHBondContact O-CB 3.48Å; L269-R272 PolarHBondContact O-N 2.84Å; L269-F273 PolarHBondContact O-N 2.88Å
270	L	54.8	Low	49.2	Very low	96 Å²	96	128.7 Å²	128.7	50%	0.503	67%	0.665	S	S	.	*	H	α-helix	trans	-63	-43.3	176	-73.5	167	0	0	0	111.9	F266 V267 R272 F273 K274	F266-L270 HydrophobicContact CD1-CD1 3.78Å; F266-L270 HydrophobicContact CD1-CG 4.3Å; F266-L270 HydrophobicContact CE1-CD1 3.95Å; F266-L270 HydrophobicContact CE1-CG 4.34Å; F266-L270 WeakPolarHBondContact O-CG 3.4Å; F266-L270 PolarHBondContact O-N 2.89Å; V267-L270 PolarHBondContact O-N 2.75Å; L270-R272 PolarHBondContact O-N 2.68Å; L270-R272 VanDerWaalsContact O-N 3.13Å; L270-F273 PolarHBondContact O-N 2.84Å; L270-K274 PolarHBondContact O-N 3.05Å
271	K	50.3	Low	48.8	Very low	167 Å²	167	133.3 Å²	133.3	73%	0.726	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-16.9	171.9	-74.1	-173.8	176.5	-172.2	0	113.6	V267	V267-K271 HydrophobicContact CG1-CD 4.4Å; V267-K271 WeakPolarHBondContact O-CB 3.34Å; V267-K271 WeakPolarHBondContact O-CG 3.24Å; V267-K271 PolarHBondContact O-N 2.85Å
272	R	50.7	Low	49	Very low	218 Å²	218	133.5 Å²	133.5	82%	0.823	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-6.6	174	-155	171.7	-171.4	150.2	2	113.5	A268 L269 L270	A268-R272 WeakPolarHBondContact O-CB 3.33Å; A268-R272 PolarHBondContact O-N 2.93Å; L269-R272 CarbonylContact O-C 3.51Å; L269-R272 WeakPolarHBondContact O-CA 3.42Å; L269-R272 WeakPolarHBondContact O-CB 3.48Å; L269-R272 PolarHBondContact O-N 2.84Å; L270-R272 PolarHBondContact O-N 2.68Å; L270-R272 VanDerWaalsContact O-N 3.13Å
273	F	41.4	Very low	48.4	Very low	164 Å²	164	132.9 Å²	132.9	72%	0.719	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	-6.3	171.3	-91.8	-82.6	0	0	0	113.5	L269 L270 V275	L269-F273 PolarHBondContact O-N 2.88Å; L270-F273 PolarHBondContact O-N 2.84Å; F273-V275 PolarHBondContact O-N 2.82Å; F273-V275 VanDerWaalsContact O-N 3.13Å
274	K	46.3	Very low	48.4	Very low	174 Å²	174	134.3 Å²	134.3	76%	0.757	70%	0.701	S	S	*	*	S	Bend	trans	-66.7	111.5	169.7	-173.1	159.5	-176	162.2	0	108.9	L270	L270-K274 PolarHBondContact O-N 3.05Å
275	V	39.1	Very low	48.2	Very low	115 Å²	115	136.8 Å²	136.8	70%	0.697	71%	0.712	S	S	*	*			trans	-63.7	145.6	177.4	179.9	0	0	0	0	109.4	F273	F273-V275 PolarHBondContact O-N 2.82Å; F273-V275 VanDerWaalsContact O-N 3.13Å
276	S	39.9	Very low	47.6	Very low	93 Å²	93	132.2 Å²	132.2	65%	0.65	70%	0.698	S	S	*	*			trans	-90.4	132.4	173.8	-162.3	0	0	0	0	109.7	E278	S276-E278 PolarHBondContact O-N 3.41Å
277	D	45.7	Very low	47.7	Very low	160 Å²	160	128.7 Å²	128.7	86%	0.856	69%	0.689	S	S	*	*	S	Bend	trans	-70.8	22.3	-167.1	-72.3	-49.5	0	0	0	116.4
278	E	51.2	Low	47.5	Very low	177 Å²	177	134.8 Å²	134.8	83%	0.827	70%	0.704	S	S	*	*			trans	-107.5	14.9	-170.9	-63.5	-159.4	152.1	0	0	115.8	S276	S276-E278 PolarHBondContact O-N 3.41Å
279	V	40.9	Very low	47.3	Very low	121 Å²	121	138 Å²	138	73%	0.733	71%	0.709	S	S	*	*	S	Bend	trans	-135	87.2	170.9	-87	0	0	0	0	112	F281	V279-F281 PolarHBondContact O-N 3.26Å
280	G	46.7	Very low	47.3	Very low	79 Å²	79	139 Å²	139	81%	0.814	71%	0.711	S	S	*	*			trans	-70.1	121.5	179.2	0	0	0	0	0	113.7
281	F	37.7	Very low	47.4	Very low	201 Å²	201	139.2 Å²	139.2	88%	0.882	71%	0.712	S	S	*	*			trans	-117.1	126.4	153.3	-82.1	-90.4	0	0	0	107.6	V279	V279-F281 PolarHBondContact O-N 3.26Å
282	G	49.7	Very low	47.6	Very low	79 Å²	79	136 Å²	136	81%	0.814	70%	0.7	S	S	*	*			trans	-66	136.4	-156.1	0	0	0	0	0	115.9
283	L	43.6	Very low	47.8	Very low	138 Å²	138	132 Å²	132	72%	0.723	69%	0.69	S	S	*	*			trans	-146.4	54.8	174.5	-160.2	78.3	0	0	0	111.3	H285 V286	L283-H285 PolarHBondContact O-N 2.88Å; L283-V286 HydrophobicContact CD2-CG2 3.72Å; L283-V286 HydrophobicContact CG-CG2 4.21Å
284	E	47.9	Very low	48.6	Very low	185 Å²	185	128.5 Å²	128.5	86%	0.864	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	16.3	-171.8	-59	-161.9	151.7	0	0	115.9
285	H	47.9	Very low	49.2	Very low	180 Å²	180	126.2 Å²	126.2	83%	0.833	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.7	26.8	-171.6	-65.3	-20.1	0	0	0	114.2	L283	L283-H285 PolarHBondContact O-N 2.88Å
286	V	44	Very low	49.9	Very low	72 Å²	72	126.2 Å²	126.2	44%	0.436	67%	0.667	S	S	.	*			trans	-110	120.6	161.5	-177.7	0	0	0	0	107.5	L283 I291	L283-V286 HydrophobicContact CD2-CG2 3.72Å; L283-V286 HydrophobicContact CG-CG2 4.21Å; V286-I291 HydrophobicContact CG1-CD1 4.26Å; V286-I291 HydrophobicContact CG1-CG1 3.99Å
287	S	54.8	Low	50.9	Low	57 Å²	57	127.2 Å²	127.2	40%	0.399	67%	0.665	S	S	.	*			trans	-81.5	154.3	179.6	85.3	0	0	0	0	110.6	E289 Q290	S287-E289 WeakPolarHBondContact CB-OE2 3.4Å; S287-E289 PolarHBondContact O-N 3.47Å; S287-E289 PolarHBondContact OG-OE2 2.63Å; S287-Q290 PolarHBondContact O-N 3.3Å
288	R	52.3	Low	51.3	Low	202 Å²	202	123.9 Å²	123.9	76%	0.762	65%	0.646	S	S	*	*	H	α-helix	trans	-64.1	-28.5	-170.1	-174.8	174.1	178.2	166.5	0.4	112.5	I291 Q292	R288-I291 PolarHBondContact O-N 2.94Å; R288-Q292 PolarHBondContact O-N 3.12Å
289	E	53.5	Low	51.4	Low	127 Å²	127	120.1 Å²	120.1	59%	0.593	63%	0.632	S	S	*	*	H	α-helix	trans	-65.6	-41.9	-178.2	-54.1	70.6	-149.1	0	0	110.9	S287 I291 Q292 E293	S287-E289 WeakPolarHBondContact CB-OE2 3.4Å; S287-E289 PolarHBondContact O-N 3.47Å; S287-E289 PolarHBondContact OG-OE2 2.63Å; E289-I291 PolarHBondContact O-N 2.85Å; E289-Q292 PolarHBondContact O-N 3.2Å; E289-E293 WeakPolarHBondContact O-CB 3.3Å; E289-E293 PolarHBondContact O-N 3.46Å
290	Q	54.1	Low	52.3	Low	113 Å²	113	121.7 Å²	121.7	53%	0.528	63%	0.631	S	S	.	*	H	α-helix	trans	-68.9	-19.1	178.8	-62.2	-162.4	-66.3	0	0	114	S287 V294	S287-Q290 PolarHBondContact O-N 3.3Å; Q290-V294 WeakPolarHBondContact O-CG2 3.46Å
291	I	58.3	Low	52.6	Low	101 Å²	101	123 Å²	123	52%	0.518	62%	0.619	S	S	.	*	H	α-helix	trans	-80	-42	175.1	-59.5	176.3	0	0	0	109.3	V286 R288 E289 V294 E295	V286-I291 HydrophobicContact CG1-CD1 4.26Å; V286-I291 HydrophobicContact CG1-CG1 3.99Å; R288-I291 PolarHBondContact O-N 2.94Å; E289-I291 PolarHBondContact O-N 2.85Å; I291-V294 PolarHBondContact O-N 2.97Å; I291-E295 PolarHBondContact O-N 3.19Å
292	Q	54.8	Low	53.1	Low	99 Å²	99	120.3 Å²	120.3	46%	0.463	60%	0.604	S	S	.	*	H	α-helix	trans	-72.7	-36.9	-179.4	-171	167.1	-22.4	0	0	112.3	R288 E289 V294 E295 E296	R288-Q292 PolarHBondContact O-N 3.12Å; E289-Q292 PolarHBondContact O-N 3.2Å; Q292-V294 PolarHBondContact O-N 3.2Å; Q292-E295 PolarHBondContact O-N 3.15Å; Q292-E296 HydrophobicContact CG-CG 4.5Å; Q292-E296 WeakPolarHBondContact CG-OE1 3.31Å; Q292-E296 PolarHBondContact NE2-OE1 3.12Å; Q292-E296 PolarHBondContact O-N 3.49Å
293	E	54.8	Low	53.2	Low	135 Å²	135	122.7 Å²	122.7	63%	0.631	60%	0.598	S	S	*	*	H	α-helix	trans	-57.3	-32.4	173	-166.7	172.5	-132.1	0	0	112	E289 D297	E289-E293 WeakPolarHBondContact O-CB 3.3Å; E289-E293 PolarHBondContact O-N 3.46Å; E293-D297 WeakPolarHBondContact O-CB 3.39Å; E293-D297 PolarHBondContact O-N 3.34Å
294	V	56.8	Low	53.7	Low	90 Å²	90	119.7 Å²	119.7	55%	0.545	59%	0.589	S	S	.	*	H	α-helix	trans	-85.1	-20.5	176.2	173.9	0	0	0	0	113.2	Q290 I291 Q292	Q290-V294 WeakPolarHBondContact O-CG2 3.46Å; I291-V294 PolarHBondContact O-N 2.97Å; Q292-V294 PolarHBondContact O-N 3.2Å
295	E	59.3	Low	53.9	Low	126 Å²	126	117.2 Å²	117.2	59%	0.589	58%	0.581	S	S	*	*	H	α-helix	trans	-80.1	-38.6	175.1	-156.5	158.5	-143.8	0	0	110.2	I291 Q292 L298 D299	I291-E295 PolarHBondContact O-N 3.19Å; Q292-E295 PolarHBondContact O-N 3.15Å; E295-L298 WeakPolarHBondContact O-CB 3.48Å; E295-L298 PolarHBondContact O-N 2.87Å; E295-D299 PolarHBondContact O-N 3.2Å
296	E	54.7	Low	53.9	Low	115 Å²	115	116.1 Å²	116.1	54%	0.537	58%	0.576	S	S	.	*	H	α-helix	trans	-67.5	-41.1	174.2	-68.8	173.4	-166.7	0	0	112.2	Q292 L298 D299 E300	Q292-E296 HydrophobicContact CG-CG 4.5Å; Q292-E296 WeakPolarHBondContact CG-OE1 3.31Å; Q292-E296 PolarHBondContact NE2-OE1 3.12Å; Q292-E296 PolarHBondContact O-N 3.49Å; E296-L298 PolarHBondContact O-N 3.13Å; E296-D299 PolarHBondContact O-N 3.04Å; E296-E300 PolarHBondContact O-N 2.81Å
297	D	59.8	Low	53.8	Low	115 Å²	115	120.5 Å²	120.5	62%	0.615	59%	0.594	S	S	*	*	H	α-helix	trans	-61.4	-24.1	173.6	-135	39.6	0	0	0	112.8	E293 L301	E293-D297 WeakPolarHBondContact O-CB 3.39Å; E293-D297 PolarHBondContact O-N 3.34Å; D297-L301 WeakPolarHBondContact O-CG 3.41Å
298	L	53.7	Low	53.2	Low	89 Å²	89	128.3 Å²	128.3	47%	0.466	62%	0.616	S	S	.	*	H	α-helix	trans	-84.1	-34.4	176.2	-92.1	167.9	0	0	0	112.9	E295 E296 L301 Y302	E295-L298 WeakPolarHBondContact O-CB 3.48Å; E295-L298 PolarHBondContact O-N 2.87Å; E296-L298 PolarHBondContact O-N 3.13Å; L298-L301 WeakPolarHBondContact O-CB 3.46Å; L298-L301 PolarHBondContact O-N 2.83Å; L298-Y302 WeakPolarHBondContact O-CD2 3.25Å; L298-Y302 PolarHBondContact O-N 2.94Å
299	D	54.7	Low	52.9	Low	99 Å²	99	124.7 Å²	124.7	53%	0.529	61%	0.612	S	S	.	*	H	α-helix	trans	-76.2	-34.4	-179.6	-79.5	-12.5	0	0	0	112.3	E295 E296 L301 Y302 D303	E295-D299 PolarHBondContact O-N 3.2Å; E296-D299 PolarHBondContact O-N 3.04Å; D299-L301 PolarHBondContact O-N 2.84Å; D299-Y302 PolarHBondContact O-N 2.96Å; D299-D303 PolarHBondContact O-N 2.89Å; D299-D303 VanDerWaalsContact O-N 3.1Å
300	E	59	Low	52.4	Low	153 Å²	153	124.4 Å²	124.4	72%	0.715	62%	0.621	S	S	*	*	H	α-helix	trans	-57.5	-36.7	167.8	-79.9	-151.8	153.5	0	0	112	E296 Y302 S304	E296-E300 PolarHBondContact O-N 2.81Å; E300-Y302 VanDerWaalsContact C-N 3.32Å; E300-Y302 PolarHBondContact O-N 2.95Å; E300-S304 WeakPolarHBondContact O-CB 3.46Å; E300-S304 PolarHBondContact O-N 3.34Å; E300-S304 VanDerWaalsContact O-N 3.1Å
301	L	53.3	Low	51.6	Low	107 Å²	107	123.5 Å²	123.5	56%	0.56	63%	0.627	S	S	*	*	H	α-helix	trans	-68.9	-28.3	176.4	-71.9	171.7	0	0	0	112.6	D297 L298 D299 S304	D297-L301 WeakPolarHBondContact O-CG 3.41Å; L298-L301 WeakPolarHBondContact O-CB 3.46Å; L298-L301 PolarHBondContact O-N 2.83Å; D299-L301 PolarHBondContact O-N 2.84Å; L301-S304 PolarHBondContact O-OG 3.12Å
302	Y	48.9	Very low	50.5	Low	145 Å²	145	126 Å²	126	57%	0.569	64%	0.642	S	S	*	*	H	α-helix	trans	-72.9	-46.8	172.9	-79.1	-68.7	0	0	0	112.3	L298 D299 E300 S304 L305	L298-Y302 WeakPolarHBondContact O-CD2 3.25Å; L298-Y302 PolarHBondContact O-N 2.94Å; D299-Y302 PolarHBondContact O-N 2.96Å; E300-Y302 VanDerWaalsContact C-N 3.32Å; E300-Y302 PolarHBondContact O-N 2.95Å; Y302-S304 VanDerWaalsContact C-N 3.28Å; Y302-S304 PolarHBondContact O-N 3.46Å; Y302-L305 WeakPolarHBondContact O-CB 3.28Å; Y302-L305 PolarHBondContact O-N 3.4Å
303	D	51.5	Low	49.6	Very low	128 Å²	128	127 Å²	127	68%	0.684	66%	0.659	S	S	*	*	H	α-helix	trans	-60.9	-37.6	178.4	-91.6	8.6	0	0	0	112	D299 L305 E306	D299-D303 PolarHBondContact O-N 2.89Å; D299-D303 VanDerWaalsContact O-N 3.1Å; D303-L305 PolarHBondContact O-N 3.32Å; D303-E306 PolarHBondContact O-N 3.48Å
304	S	53.3	Low	48.9	Very low	75 Å²	75	123.8 Å²	123.8	52%	0.524	66%	0.663	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57	-20.4	175	82.4	0	0	0	0	114.3	E300 L301 Y302	E300-S304 WeakPolarHBondContact O-CB 3.46Å; E300-S304 PolarHBondContact O-N 3.34Å; E300-S304 VanDerWaalsContact O-N 3.1Å; L301-S304 PolarHBondContact O-OG 3.12Å; Y302-S304 VanDerWaalsContact C-N 3.28Å; Y302-S304 PolarHBondContact O-N 3.46Å
305	L	52.1	Low	48.6	Very low	133 Å²	133	125.7 Å²	125.7	70%	0.696	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-11.4	-172.5	-106.8	149.5	0	0	0	114.3	Y302 D303	Y302-L305 WeakPolarHBondContact O-CB 3.28Å; Y302-L305 PolarHBondContact O-N 3.4Å; D303-L305 PolarHBondContact O-N 3.32Å
306	E	48.2	Very low	47.4	Very low	157 Å²	157	129.7 Å²	129.7	73%	0.734	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-23.8	173.2	-63.8	-142.9	138	0	0	113.3	D303 Y308	D303-E306 PolarHBondContact O-N 3.48Å; E306-Y308 PolarHBondContact O-N 2.85Å
307	M	43	Very low	46.7	Very low	165 Å²	165	132 Å²	132	81%	0.813	71%	0.708	S	S	*	*	S	Bend	trans	-70.9	4.5	-171.2	-158.6	170.1	63.3	0	0	115.8
308	Y	41.3	Very low	45.7	Very low	221 Å²	221	134 Å²	134	87%	0.867	71%	0.714	S	S	*	*			trans	-120.8	46.5	-177.1	-124.3	-82.7	0	0	0	114.4	E306	E306-Y308 PolarHBondContact O-N 2.85Å
309	N	45.7	Very low	44.9	Very low	126 Å²	126	139.1 Å²	139.1	67%	0.674	74%	0.736	S	S	*	*			trans	-135.4	84.1	174.4	-175.3	57.2	0	0	0	113.1	S311	N309-S311 PolarHBondContact O-N 3.07Å; N309-S311 VanDerWaalsContact O-N 3.1Å
310	P	42.8	Very low	44.3	Very low	121 Å²	121	140.3 Å²	140.3	79%	0.786	75%	0.747	S	S	*	*			trans	-74.6	96.2	174.7	29.9	-33.4	0	0	0	112.1
311	S	37.8	Very low	43.1	Very low	94 Å²	94	140.4 Å²	140.4	66%	0.657	75%	0.752	S	S	*	*			trans	-60	135.9	167.9	-61.5	0	0	0	0	111.8	N309	N309-S311 PolarHBondContact O-N 3.07Å; N309-S311 VanDerWaalsContact O-N 3.1Å
312	D	35.5	Very low	42.1	Very low	153 Å²	153	139.8 Å²	139.8	82%	0.818	76%	0.757	S	S	*	*				97.3	169.3	88.4	-168.9	28.4	0	0	0	113.2
313	S	35.9	Very low	41.5	Very low	119 Å²	119	139.7 Å²	139.7	83%	0.832	77%	0.765	S	S	*	*			trans	83.8	138.5	-166.5	-37.6	0	0	0	0	114.1
314	G	40.8	Very low	40.6	Very low	69 Å²	69	140.8 Å²	140.8	71%	0.711	77%	0.77	S	S	*	*			cis	178.5	154.8	-6.4	0	0	0	0	0	110.1
315	P	50.6	Low	39.5	Very low	130 Å²	130	141.4 Å²	141.4	84%	0.844	77%	0.774	S	S	*	*			trans	-98.1	131.6	-171.3	35.3	-31.9	0	0	0	114.5
316	E	32.8	Very low	38.8	Very low	209 Å²	209	141.3 Å²	141.3	98%	0.977	78%	0.779	S	S	*	*			trans	-136.2	177.1	163.2	-73.4	-161.1	136	0	0	111.3
317	M	39.4	Very low	38.5	Very low	163 Å²	163	139.4 Å²	139.4	80%	0.803	78%	0.78	S	S	*	*			trans	-121.6	164.9	-151.4	-159.4	174.7	80.4	0	0	113.7
318	E	39.5	Very low	38.2	Very low	158 Å²	158	141 Å²	141	74%	0.738	78%	0.783	S	S	*	*			trans	0.9	131.8	165.8	-64.6	173	123.9	0	0	120.1
319	E	37.9	Very low	37.8	Very low	197 Å²	197	136.6 Å²	136.6	92%	0.921	78%	0.781	S	S	*	*				-170.1	173.5	106.2	-104.5	-179.9	-179.2	0	0	112.4
320	T	40.9	Very low	37.2	Very low	123 Å²	123	140.3 Å²	140.3	76%	0.755	79%	0.792	S	S	*	*			trans	-109.5	138.8	-172	50.1	0	0	0	0	113.2
321	D	33.2	Very low	36.8	Very low	155 Å²	155	143 Å²	143	83%	0.829	80%	0.798	S	S	*	*				179.6	129.8	122.4	-103.7	-33.9	0	0	0	117.4
322	S	32.3	Very low	36.9	Very low	95 Å²	95	149.2 Å²	149.2	66%	0.664	81%	0.807	S	S	*	*				45.5	145.8	126.2	-138	0	0	0	0	126.8
323	I	38.1	Very low	37.4	Very low	143 Å²	143	147.6 Å²	147.6	73%	0.733	81%	0.805	S	S	*	*			trans	65.1	112.2	153	53.4	175.5	0	0	0	126.2
324	L	32	Very low	37.4	Very low	150 Å²	150	150.5 Å²	150.5	79%	0.785	80%	0.803	S	S	*	*				81.5	115.2	125.4	-67.8	168.9	0	0	0	124.4
325	S	29.4	Very low	37.8	Very low	88 Å²	88	156.7 Å²	156.7	62%	0.615	81%	0.811	S	S	*	*				95.6	110.4	121.8	-70.1	0	0	0	0	124.7
326	T	38.6	Very low	37	Very low	132 Å²	132	159.6 Å²	159.6	81%	0.81	81%	0.813	S	S	*	*			trans	73.1	160.9	135.8	66	0	0	0	0	121.2
327	P	41.1	Very low	37	Very low	116 Å²	116	153.1 Å²	153.1	75%	0.753	80%	0.803	S	S	*	*			cis	-126.8	169.9	-23.6	27.6	-7.4	0	0	0	114.4
328	K	35.8	Very low	36.7	Very low	198 Å²	198	154.6 Å²	154.6	86%	0.861	81%	0.81	S	S	*	*			trans	-85.4	141.3	173.3	-74	179.8	175.7	176.3	0	113
329	P	33.5	Very low	36.5	Very low	130 Å²	130	151.8 Å²	151.8	84%	0.844	81%	0.808	S	S	*	*			trans	-73.7	160	168.6	31.9	-34.9	0	0	0	112.5
330	K	33.7	Very low	36.2	Very low	204 Å²	204	150.1 Å²	150.1	89%	0.887	80%	0.8	S	S	*	*			trans	-118.8	148.9	176.9	-65.2	178.8	179.2	177.6	0	110.9
331	L	35	Very low	35.8	Very low	177 Å²	177	148.3 Å²	148.3	93%	0.927	79%	0.793	S	S	*	*			trans	-117.4	157.8	163.5	-72.9	173.1	0	0	0	110.3
332	R	39.8	Very low	35.8	Very low	224 Å²	224	145.7 Å²	145.7	85%	0.845	79%	0.786	S	S	*	*			trans	-87.1	149.9	-171.7	-62.6	-175.1	-172.2	174.1	3.2	112.6
333	P	45.9	Very low	35.8	Very low	120 Å²	120	145.5 Å²	145.5	78%	0.779	79%	0.785	S	S	*	*			trans	-80.1	149.7	166.3	34.5	-34	0	0	0	111.7
334	F	36	Very low	35.5	Very low	179 Å²	179	147.8 Å²	147.8	79%	0.785	79%	0.793	S	S	*	*			trans	-147.9	84	163.7	-100.3	-79.6	0	0	0	109.3
335	F	48.9	Very low	35.4	Very low	199 Å²	199	147 Å²	147	87%	0.873	79%	0.794	S	S	*	*				-175.7	140.3	117.3	-106.3	-74.5	0	0	0	110.1
336	E	33.7	Very low	35.5	Very low	191 Å²	191	152.4 Å²	152.4	89%	0.893	81%	0.809	S	S	*	*			trans	-87.6	153.9	172.7	-61.2	162.2	114.6	0	0	109.5
337	G	31.8	Very low	35.3	Very low	73 Å²	73	154.4 Å²	154.4	75%	0.753	81%	0.813	S	S	*	*			trans	171.5	20.1	-178.9	0	0	0	0	0	121.3
338	M	33.8	Very low	34.7	Very low	195 Å²	195	152.6 Å²	152.6	96%	0.961	82%	0.816	S	S	*	*			trans	58.7	108.5	166.3	-65.7	178.6	166.8	0	0	119.4
339	S	34.8	Very low	34.2	Very low	99 Å²	99	148.2 Å²	148.2	69%	0.692	81%	0.81	S	S	*	*			trans	-69.6	-179.8	158.6	-39.8	0	0	0	0	111.7
340	Q	32.2	Very low	34	Very low	161 Å²	161	148.8 Å²	148.8	75%	0.752	81%	0.806	S	S	*	*			cis	-136.1	157.9	18.5	-67	-70	-4.6	0	0	109.6
341	S	31.3	Very low	33.7	Very low	86 Å²	86	146 Å²	146	60%	0.601	80%	0.8	S	S	*	*				55.6	126.3	65.6	-111.8	0	0	0	0	112.6
342	S	33.7	Very low	33.3	Very low	99 Å²	99	142.6 Å²	142.6	69%	0.692	79%	0.791	S	S	*	*				61.6	149.1	67.7	103.6	0	0	0	0	112.7
343	S	33.8	Very low	32.8	Very low	92 Å²	92	141.6 Å²	141.6	64%	0.643	79%	0.793	S	S	*	*			cis	-164.2	174.8	16.7	38.9	0	0	0	0	111.5
344	Q	30.1	Very low	31.9	Very low	191 Å²	191	139.8 Å²	139.8	89%	0.893	80%	0.796	S	S	*	*			trans	42.6	147	150.5	-77.8	166.7	-68.3	0	0	123.6
345	T	31.5	Very low	31.6	Very low	133 Å²	133	136.4 Å²	136.4	82%	0.816	80%	0.795	S	S	*	*			trans	-92.2	146.3	174	49.7	0	0	0	0	113.1
346	E	30.3	Very low	30.7	Very low	201 Å²	201	135.1 Å²	135.1	94%	0.939	80%	0.796	S	S	*	*			trans	-151.5	170.4	144.2	-126	166.6	-141.9	0	0	111.2
347	I	35.3	Very low	30.4	Very low	174 Å²	174	129.1 Å²	129.1	89%	0.892	79%	0.785	S	S	*	*			trans	-118.3	131.9	-161.9	-63.4	174.6	0	0	0	111.9
348	G	27.3	Very low	30.4	Very low	78 Å²	78	136.7 Å²	136.7	80%	0.804	79%	0.791	S	S	*	*			trans	-152.7	101.4	178.9	0	0	0	0	0	115.4
349	S	26.5	Very low	30.1	Very low	107 Å²	107	133.2 Å²	133.2	75%	0.748	78%	0.777	S	S	*	*			trans	-9.8	136.7	168.8	-84.7	0	0	0	0	123.7
350	L	28.5	Very low	29.7	Very low	142 Å²	142	133.4 Å²	133.4	74%	0.743	77%	0.774	S	S	*	*			trans	74.5	129	134.2	-66.2	169.5	0	0	0	122.4
351	N	26.8	Very low	29.5	Very low	144 Å²	144	135 Å²	135	77%	0.77	78%	0.778	S	S	*	*			trans	65.4	127.2	148.6	-59.1	-21.9	0	0	0	118.2
352	S	28.1	Very low	29.6	Very low	106 Å²	106	136.3 Å²	136.3	74%	0.741	79%	0.788	S	S	*	*			cis	-171.6	161.3	20.4	55.7	0	0	0	0	115.1
353	K	28.8	Very low	30.2	Very low	204 Å²	204	137.3 Å²	137.3	89%	0.887	79%	0.792	S	S	*	*			trans	40.2	112.5	149.8	-65.7	-178.6	179.3	-179.4	0	122.6
354	G	27.1	Very low	29.8	Very low	82 Å²	82	141.2 Å²	141.2	85%	0.845	80%	0.8	S	S	*	*			trans	85	156.7	144.3	0	0	0	0	0	117.1
355	S	30.1	Very low	29.7	Very low	107 Å²	107	135 Å²	135	75%	0.748	79%	0.787	S	S	*	*			cis	-157.6	166.5	-4.5	-162.9	0	0	0	0	111.1
356	L	29.5	Very low	29.5	Very low	172 Å²	172	135.9 Å²	135.9	90%	0.901	78%	0.782	S	S	*	*			trans	9.6	137.1	162.1	-62.5	162.9	0	0	0	119.9
357	G	28.2	Very low	29.5	Very low	65 Å²	65	133.8 Å²	133.8	67%	0.67	78%	0.777	S	S	*	*			cis	144.2	164.2	1.2	0	0	0	0	0	112.4
358	R	30.8	Very low	30.5	Very low	232 Å²	232	130.6 Å²	130.6	88%	0.875	77%	0.767	S	S	*	*			trans	65.3	164.4	173.9	-65.8	-164.6	168	172.5	-0.5	117.3
359	D	27	Very low	31.6	Very low	123 Å²	123	133.2 Å²	133.2	66%	0.658	77%	0.77	S	S	*	*			cis	-160.1	143.9	-32.5	-99	-22	0	0	0	109.8
360	T	28	Very low	31.9	Very low	102 Å²	102	135.1 Å²	135.1	63%	0.626	77%	0.771	S	S	*	*			trans	49.3	149	141.7	-37.5	0	0	0	0	123.5
361	F	27.8	Very low	32.1	Very low	194 Å²	194	134.6 Å²	134.6	85%	0.851	76%	0.764	S	S	*	*			trans	110.8	124.7	150.5	-66.1	-70.1	0	0	0	120.4
362	S	33.1	Very low	32.5	Very low	114 Å²	114	135 Å²	135	80%	0.797	76%	0.76	S	S	*	*			trans	-112	152.2	154.4	-45.7	0	0	0	0	109
363	P	45.2	Very low	32.4	Very low	121 Å²	121	138.2 Å²	138.2	79%	0.786	77%	0.765	S	S	*	*			trans	-146.2	-170.9	135.3	35	-17.9	0	0	0	112.4
364	Q	26.4	Very low	32.3	Very low	174 Å²	174	137.4 Å²	137.4	81%	0.813	76%	0.761	S	S	*	*				-177.3	149.6	-51.5	-174.5	171.9	1.9	0	0	108.6
365	G	27.5	Very low	33	Very low	60 Å²	60	139.7 Å²	139.7	62%	0.619	76%	0.761	S	S	*	*			trans	116.7	137.3	168.6	0	0	0	0	0	115.7
366	E	27.2	Very low	33	Very low	152 Å²	152	139.9 Å²	139.9	71%	0.71	76%	0.762	S	S	*	*			cis	103.1	134.5	20	-69.2	162.5	70.7	0	0	112.9
367	L	30.5	Very low	33	Very low	157 Å²	157	143.6 Å²	143.6	82%	0.822	76%	0.764	S	S	*	*			cis	-154.3	177.3	8.3	-98.5	153.3	0	0	0	111.6
368	P	56.2	Low	33.1	Very low	106 Å²	106	145.4 Å²	145.4	69%	0.688	77%	0.767	S	S	*	*			trans	-105.1	-164.4	-166.9	43	-39.1	0	0	0	116.3
369	P	49.5	Very low	32.9	Very low	134 Å²	134	146.2 Å²	146.2	87%	0.87	77%	0.77	S	S	*	*				-148.8	-157.8	93.4	40.8	-20.7	0	0	0	117.5
370	L	33	Very low	33	Very low	146 Å²	146	147.8 Å²	147.8	76%	0.764	78%	0.778	S	S	*	*			trans	-127.6	159.6	-157.2	-152.5	67.1	0	0	0	110.9
371	E	33.7	Very low	33.1	Very low	131 Å²	131	150.2 Å²	150.2	61%	0.612	79%	0.787	S	S	*	*				-178.6	145.3	71.6	-75.1	-144.1	148.4	0	0	116.7
372	K	34.9	Very low	33.2	Very low	154 Å²	154	147.7 Å²	147.7	67%	0.67	78%	0.782	S	S	*	*			trans	48.7	166.5	131.1	-51.2	177.2	-167.1	147.7	0	121.7
373	M	25.7	Very low	32.8	Very low	173 Å²	173	151.2 Å²	151.2	85%	0.852	79%	0.786	S	S	*	*			cis	-154.1	174.2	11.1	-151.3	155.5	68.5	0	0	115.5
374	K	25.9	Very low	32.2	Very low	187 Å²	187	153 Å²	153	81%	0.813	79%	0.787	S	S	*	*			trans	-79.2	177.7	166.6	-79.5	-178	178.8	179.1	0	111.8
375	P	42.9	Very low	32.9	Very low	130 Å²	130	149.9 Å²	149.9	84%	0.844	78%	0.782	S	S	*	*			cis	-153.8	-144.1	38.8	45.4	-20.1	0	0	0	117.4
376	S	29.2	Very low	32.9	Very low	110 Å²	110	151.1 Å²	151.1	77%	0.769	78%	0.781	S	S	*	*			trans	-145.9	155.8	-167.2	42.9	0	0	0	0	114.9
377	R	30	Very low	32.9	Very low	250 Å²	250	152 Å²	152	94%	0.943	79%	0.785	S	S	*	*			trans	-178.6	161	147.5	-105.8	170	-177.6	-172.7	0.7	116.8
378	S	30.1	Very low	32.8	Very low	104 Å²	104	149.8 Å²	149.8	73%	0.727	78%	0.779	S	S	*	*			trans	-71.8	157.5	-170.5	54.3	0	0	0	0	121
379	R	27.7	Very low	31.4	Very low	248 Å²	248	151.1 Å²	151.1	94%	0.936	78%	0.78	S	S	*	*				-166.7	170.2	124.6	-115	179.6	-178.6	176	0.2	113.9
380	N	28.2	Very low	30.4	Very low	156 Å²	156	149.7 Å²	149.7	83%	0.834	77%	0.769	S	S	*	*			trans	-107	157.8	172.4	-71.2	-84.6	0	0	0	110.4
381	L	30.7	Very low	30.1	Very low	154 Å²	154	149.4 Å²	149.4	81%	0.806	77%	0.767	S	S	*	*				-178.6	138.3	111.4	-156.8	66	0	0	0	113.1
382	D	28.7	Very low	29.9	Very low	140 Å²	140	151.1 Å²	151.1	75%	0.749	78%	0.775	S	S	*	*			trans	22.5	165.7	158.4	-69.2	-65.4	0	0	0	128.2
383	E	25.4	Very low	29.5	Very low	188 Å²	188	152.2 Å²	152.2	88%	0.879	79%	0.788	S	S	*	*			trans	97.8	139.9	156.5	-82.6	-178.9	144.9	0	0	122.7
384	I	32	Very low	29.6	Very low	158 Å²	158	148.7 Å²	148.7	81%	0.81	78%	0.776	S	S	*	*			trans	-134.2	155.8	-176	-12.6	174.9	0	0	0	104.7
385	P	41.9	Very low	29.7	Very low	109 Å²	109	147.1 Å²	147.1	71%	0.708	78%	0.777	S	S	*	*				-159	-173.3	66.3	43.2	-21.1	0	0	0	117.5
386	S	26.5	Very low	28.9	Very low	86 Å²	86	149.2 Å²	149.2	60%	0.601	78%	0.775	S	S	*	*			trans	67.5	125.9	150.6	-71.3	0	0	0	0	119.3
387	E	28.4	Very low	28.8	Very low	170 Å²	170	153.3 Å²	153.3	79%	0.794	78%	0.782	S	S	*	*				74.1	147.7	74.9	-64.3	167.4	146.1	0	0	112.4
388	T	27.5	Very low	28.7	Very low	111 Å²	111	148.4 Å²	148.4	68%	0.681	77%	0.774	S	S	*	*			cis	-157.2	166.8	17.6	-18.3	0	0	0	0	111.4
389	D	27.6	Very low	28.5	Very low	135 Å²	135	152.5 Å²	152.5	72%	0.722	78%	0.779	S	S	*	*			trans	63.2	160.5	142.2	-89.8	36.5	0	0	0	123.5
390	T	27.3	Very low	28.5	Very low	103 Å²	103	144.4 Å²	144.4	63%	0.632	77%	0.765	S	S	*	*			cis	-161.2	-178.1	-28.6	18.6	0	0	0	0	110.3
391	L	28.4	Very low	28.4	Very low	140 Å²	140	145.9 Å²	145.9	73%	0.733	77%	0.767	S	S	*	*			trans	79.9	122.7	166.4	-51	-179.6	0	0	0	115.9
392	E	28.8	Very low	28.2	Very low	167 Å²	167	145.3 Å²	145.3	78%	0.78	77%	0.769	S	S	*	*			cis	93.6	129.1	38	-75.7	-162.9	151.4	0	0	114.8
393	L	26.6	Very low	28.2	Very low	177 Å²	177	141.5 Å²	141.5	93%	0.927	76%	0.763	S	S	*	*			trans	-158.8	160.5	142.6	-103.5	177.8	0	0	0	108.9
394	T	27.8	Very low	28.7	Very low	99 Å²	99	139.1 Å²	139.1	61%	0.607	76%	0.764	S	S	*	*			trans	-135.2	155.1	-157.5	-56.4	0	0	0	0	112.3
395	D	27.1	Very low	28.3	Very low	154 Å²	154	136.6 Å²	136.6	82%	0.824	76%	0.759	S	S	*	*			trans	157.7	136	143.9	-77.4	-16.1	0	0	0	109.2
396	Q	26.9	Very low	27.6	Very low	174 Å²	174	139.5 Å²	139.5	81%	0.813	77%	0.767	S	S	*	*			cis	99.7	99.8	11.7	-169.6	140	108	0	0	116.9
397	E	26.8	Very low	27.7	Very low	197 Å²	197	140.5 Å²	140.5	92%	0.921	77%	0.77	S	S	*	*			trans	-161.3	-168.5	139.3	-122.2	-175.8	180	0	0	113.5
398	L	28.1	Very low	27.6	Very low	146 Å²	146	138.7 Å²	138.7	76%	0.764	77%	0.77	S	S	*	*			trans	-140.8	-172.5	-142.6	-149.5	119	0	0	0	116.2
399	F	25.9	Very low	27.6	Very low	190 Å²	190	138.7 Å²	138.7	83%	0.833	77%	0.774	S	S	*	*			trans	78.2	158.7	175.9	-65.6	-97.5	0	0	0	118
400	A	26.8	Very low	27.6	Very low	78 Å²	78	138.8 Å²	138.8	65%	0.645	78%	0.779	S	S	*	*			cis	-169.4	161	-37.5	0	0	0	0	0	110.8
401	E	26.3	Very low	27.5	Very low	188 Å²	188	138 Å²	138	88%	0.879	78%	0.784	S	S	*	*			trans	30	137.9	163	-63.5	-163.3	112.6	0	0	123.4
402	V	27.3	Very low	27.4	Very low	141 Å²	141	140.5 Å²	140.5	86%	0.855	79%	0.791	S	S	*	*				176.4	134.9	107	153.2	0	0	0	0	110.1
403	G	28.6	Very low	27.3	Very low	60 Å²	60	141.7 Å²	141.7	62%	0.619	79%	0.794	S	S	*	*			trans	-105.4	173.2	167.2	0	0	0	0	0	111.9
404	P	36.3	Very low	27.8	Very low	139 Å²	139	138.1 Å²	138.1	90%	0.903	78%	0.781	S	S	*	*				-144.7	175.2	90.5	37.6	-21.9	0	0	0	115
405	C	23.8	Very low	27.8	Very low	104 Å²	104	144 Å²	144	70%	0.703	79%	0.792	S	S	*	*			trans	-100	165.1	-178.2	75.6	0	0	0	0	114
406	I	27.5	Very low	27.8	Very low	171 Å²	171	142.7 Å²	142.7	88%	0.877	79%	0.791	S	S	*	*			trans	-127.7	133.3	146.7	-66.9	-177.4	0	0	0	108
407	T	27.8	Very low	28.2	Very low	107 Å²	107	139.4 Å²	139.4	66%	0.656	78%	0.784	S	S	*	*			trans	-97.1	169.6	174.7	52.2	0	0	0	0	110.2
408	V	26.7	Very low	28.3	Very low	132 Å²	132	137.6 Å²	137.6	80%	0.8	78%	0.78	S	S	*	*				-166.9	159.5	84.6	156.6	0	0	0	0	109.5
409	S	26.6	Very low	28.3	Very low	110 Å²	110	140.2 Å²	140.2	77%	0.769	79%	0.785	S	S	*	*			trans	-127.4	149.1	-170.9	-46.6	0	0	0	0	113.8
410	V	27.3	Very low	28.3	Very low	137 Å²	137	135.8 Å²	135.8	83%	0.83	78%	0.778	S	S	*	*			trans	-145.5	108.3	160.8	-175.3	0	0	0	0	105.7
411	A	26.9	Very low	28.2	Very low	87 Å²	87	137.6 Å²	137.6	72%	0.719	79%	0.786	S	S	*	*				59.4	138.3	91.2	0	0	0	0	0	114.3
412	E	25	Very low	28.4	Very low	192 Å²	192	136.3 Å²	136.3	90%	0.897	78%	0.777	S	S	*	*			cis	-149.1	-167.6	14	-142.6	-177.4	147.8	0	0	114
413	K	27.8	Very low	28.5	Very low	192 Å²	192	136.3 Å²	136.3	84%	0.835	77%	0.772	S	S	*	*			trans	-113.8	-173	178.7	-90.6	176.9	178.4	168.3	0	109.2
414	P	36.4	Very low	28.5	Very low	102 Å²	102	139.3 Å²	139.3	66%	0.662	77%	0.77	S	S	*	*			cis	-146.4	170.6	13	44.6	-24.3	0	0	0	120.1
415	R	26.9	Very low	28.2	Very low	222 Å²	222	140.3 Å²	140.3	84%	0.838	77%	0.765	S	S	*	*			trans	49.1	114.7	136.6	-69.8	170.6	-178.2	159.6	-1.4	123.6
416	T	27.2	Very low	28.4	Very low	128 Å²	128	143.7 Å²	143.7	79%	0.785	77%	0.77	S	S	*	*				41.4	166.3	119.4	58.5	0	0	0	0	123.5
417	P	37.2	Very low	29.2	Very low	104 Å²	104	140.1 Å²	140.1	68%	0.675	76%	0.758	S	S	*	*			cis	-141	-173.8	-17	33.9	-10.6	0	0	0	116.9
418	L	27	Very low	29.3	Very low	159 Å²	159	142.9 Å²	142.9	83%	0.832	77%	0.767	S	S	*	*			trans	54.1	125.3	143.7	-78.7	162.4	0	0	0	123.3
419	K	28.3	Very low	29.3	Very low	202 Å²	202	141 Å²	141	88%	0.878	77%	0.766	S	S	*	*				-175.8	173.2	109.1	-108.5	177.9	-179.6	176	0	117.5
420	S	25.6	Very low	29.4	Very low	97 Å²	97	141.1 Å²	141.1	68%	0.678	77%	0.766	S	S	*	*			trans	-51.8	169.5	179.9	56.1	0	0	0	0	116.9
421	S	26.5	Very low	30.3	Very low	116 Å²	116	140.8 Å²	140.8	81%	0.811	77%	0.767	S	S	*	*			cis	-158.5	170	49.9	-64.6	0	0	0	0	117
422	K	30.3	Very low	30.4	Very low	160 Å²	160	147.8 Å²	147.8	70%	0.696	78%	0.775	S	S	*	*			trans	-94	154.6	178.6	-82	-173.4	158	-147.3	0	114	E424	K422-E424 IonicContact NZ-OE1 2.7Å; K422-E424 PolarHBondContact NZ-OE1 3.2Å
423	N	27.9	Very low	30.7	Very low	141 Å²	141	146.2 Å²	146.2	75%	0.754	77%	0.772	S	S	*	*				179.3	137.3	118.4	-88	2.7	0	0	0	107.2
424	E	29.5	Very low	30.6	Very low	123 Å²	123	144.3 Å²	144.3	58%	0.575	77%	0.771	S	S	*	*				63.2	128.4	52.3	-67	179.4	-162.8	0	0	112.2	K422	K422-E424 IonicContact NZ-OE1 2.7Å; K422-E424 PolarHBondContact NZ-OE1 3.2Å
425	M	29.9	Very low	30.2	Very low	160 Å²	160	142.9 Å²	142.9	79%	0.788	78%	0.775	S	S	*	*			cis	-148.6	170.1	14	-158.6	67	81.6	0	0	112.1
426	Q	29	Very low	30.1	Very low	175 Å²	175	135.7 Å²	135.7	82%	0.818	77%	0.77	S	S	*	*			trans	-84.3	-159.2	163.3	-58	-173.7	-23	0	0	109.8
427	P	44.1	Very low	30.2	Very low	97 Å²	97	138.9 Å²	138.9	63%	0.63	78%	0.776	S	S	*	*			cis	-148.9	173.2	-2	43.7	-22.9	0	0	0	120.3
428	I	29.2	Very low	30.1	Very low	164 Å²	164	140 Å²	140	84%	0.841	78%	0.781	S	S	*	*			trans	77.3	147.3	136.1	-82.5	164.2	0	0	0	123.7
429	A	26.7	Very low	30.9	Very low	93 Å²	93	137.5 Å²	137.5	77%	0.769	77%	0.774	S	S	*	*			trans	96.5	141.7	156.3	0	0	0	0	0	121.2
430	S	29.3	Very low	30.9	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	77%	0.771	S	S	*	*			trans	-128.3	171.9	171.3	-45	0	0	0	0	108.8
431	P	45.3	Very low	31.2	Very low	131 Å²	131	139 Å²	139	85%	0.851	76%	0.764	S	S	*	*				-144.8	-159.1	99.8	37.9	-20.6	0	0	0	114.4
432	R	29.1	Very low	31.2	Very low	234 Å²	234	141 Å²	141	88%	0.883	76%	0.758	S	S	*	*			trans	-110.5	166.6	-166.1	-49.6	168.7	180	169.2	-2.5	112.3
433	L	32	Very low	31.1	Very low	158 Å²	158	144.6 Å²	144.6	83%	0.827	77%	0.767	S	S	*	*				178	179.5	116.6	-92.6	169.2	0	0	0	113
434	D	26.2	Very low	30.9	Very low	152 Å²	152	143.1 Å²	143.1	81%	0.813	77%	0.768	S	S	*	*			trans	-42.1	168.4	-174.9	-59.6	-55.3	0	0	0	118.8
435	G	27.5	Very low	30.7	Very low	73 Å²	73	143.1 Å²	143.1	75%	0.753	78%	0.782	S	S	*	*			cis	147.1	155.7	-4.3	0	0	0	0	0	113.4
436	G	24.9	Very low	30.4	Very low	71 Å²	71	142.4 Å²	142.4	73%	0.732	78%	0.781	S	S	*	*			trans	92.3	110	157.1	0	0	0	0	0	121.7
437	H	29.3	Very low	30.4	Very low	195 Å²	195	140 Å²	140	90%	0.903	78%	0.778	S	S	*	*			trans	72	153.7	142.5	-70.2	-86	0	0	0	124
438	T	34.1	Very low	30.3	Very low	128 Å²	128	140.4 Å²	140.4	79%	0.785	78%	0.781	S	S	*	*			trans	-112.2	171.3	174.2	65.7	0	0	0	0	109.6
439	P	43.7	Very low	30.1	Very low	105 Å²	105	140.1 Å²	140.1	68%	0.682	78%	0.778	S	S	*	*				-163.1	163.3	89.7	41.4	-21	0	0	0	119.4
440	R	29.6	Very low	30.1	Very low	218 Å²	218	142.7 Å²	142.7	82%	0.823	77%	0.772	S	S	*	*			trans	64.9	161	146.1	-80.6	-176.7	158.8	-165.5	-3.3	118.9
441	Q	30.3	Very low	30	Very low	113 Å²	113	143.6 Å²	143.6	53%	0.528	76%	0.764	S	S	.	*			cis	-158	162.4	-15.4	-133.1	-179.4	17.4	0	0	112.6
442	K	28	Very low	29.3	Very low	158 Å²	158	148 Å²	148	69%	0.687	76%	0.764	S	S	*	*			trans	79.3	126	141.6	-86.7	168	-179.6	148	0	123.8
443	R	27.1	Very low	29.3	Very low	235 Å²	235	144.4 Å²	144.4	89%	0.887	76%	0.757	S	S	*	*			trans	95.9	150.9	130.1	-166.2	174.6	-82.4	173.9	-8.1	118
444	S	25	Very low	29.2	Very low	110 Å²	110	144.1 Å²	144.1	77%	0.769	76%	0.755	S	S	*	*			trans	-128.5	145.7	-158	51.8	0	0	0	0	113.5
445	S	25.1	Very low	29.2	Very low	124 Å²	124	141.7 Å²	141.7	87%	0.867	75%	0.75	S	S	*	*			trans	-159.2	165.6	158.4	54.1	0	0	0	0	109.9
446	N	24	Very low	29.6	Very low	145 Å²	145	146.4 Å²	146.4	78%	0.775	75%	0.75	S	S	*	*			trans	-130.6	142.8	-156.6	-123.3	6.1	0	0	0	114
447	T	27.5	Very low	30	Very low	123 Å²	123	148.7 Å²	148.7	76%	0.755	75%	0.752	S	S	*	*			trans	65	175.9	150.2	66.8	0	0	0	0	118
448	P	41.8	Very low	29.9	Very low	106 Å²	106	145.8 Å²	145.8	69%	0.688	74%	0.742	S	S	*	*			cis	-136.7	178.7	-2.1	41.9	-24.2	0	0	0	117.8
449	M	25.4	Very low	29.8	Very low	159 Å²	159	144.1 Å²	144.1	78%	0.783	74%	0.736	S	S	*	*			trans	72.6	147.3	156.7	-59.6	-127.7	134.4	0	0	118.1
450	K	28	Very low	29.1	Very low	147 Å²	147	145.9 Å²	145.9	64%	0.639	74%	0.735	S	S	*	*			cis	-161.8	172.8	3	-123.8	177.7	-178.5	-130.3	0	108.1
451	E	25.8	Very low	29.2	Very low	131 Å²	131	144.6 Å²	144.6	61%	0.612	73%	0.73	S	S	*	*			cis	-158.2	-171.2	-4.2	-166.4	129.9	-114.3	0	0	109.5
452	R	31.1	Very low	29.1	Very low	224 Å²	224	144.1 Å²	144.1	85%	0.845	74%	0.735	S	S	*	*			trans	67.5	100.8	178.2	-77.6	-176.3	163.3	158.5	-3.1	115.6
453	Q	30.2	Very low	29.1	Very low	157 Å²	157	143.9 Å²	143.9	73%	0.734	74%	0.741	S	S	*	*				71.2	141.2	61.6	-63.8	179.7	-19.9	0	0	112.8
454	L	29.3	Very low	29.3	Very low	152 Å²	152	137.7 Å²	137.7	80%	0.796	73%	0.734	S	S	*	*			cis	-133.7	175.6	11.9	-77.9	88.6	0	0	0	110.5
455	S	26.8	Very low	29.5	Very low	102 Å²	102	137.5 Å²	137.5	71%	0.713	73%	0.733	S	S	*	*			cis	-168.2	149.8	-45.7	56.4	0	0	0	0	109.4
456	K	34.9	Very low	29.8	Very low	171 Å²	171	137.9 Å²	137.9	74%	0.743	73%	0.725	S	S	*	*			trans	-82.5	-178.3	166.8	-61.5	-178	176.3	-179.4	0	110.9	L458	K456-L458 HydrophobicContact CB-CD1 4.33Å; K456-L458 HydrophobicContact CB-CG 4.47Å; K456-L458 HydrophobicContact CD-CD1 4.02Å; K456-L458 HydrophobicContact CD-CG 4.25Å
457	P	33.6	Very low	30	Very low	119 Å²	119	137 Å²	137	77%	0.773	73%	0.73	S	S	*	*				-138.6	170.9	84.4	45.4	-32.5	0	0	0	112.4
458	L	27.2	Very low	30.7	Very low	135 Å²	135	139.4 Å²	139.4	71%	0.707	73%	0.733	S	S	*	*			cis	75.8	145.5	21.5	-64.6	168.6	0	0	0	113.8	K456	K456-L458 HydrophobicContact CB-CD1 4.33Å; K456-L458 HydrophobicContact CB-CG 4.47Å; K456-L458 HydrophobicContact CD-CD1 4.02Å; K456-L458 HydrophobicContact CD-CG 4.25Å
459	S	30.8	Very low	30.3	Very low	92 Å²	92	146.3 Å²	146.3	64%	0.643	75%	0.745	S	S	*	*			cis	-170.1	-177.1	-5	38.9	0	0	0	0	111
460	E	29.5	Very low	30.3	Very low	142 Å²	142	144.1 Å²	144.1	66%	0.664	75%	0.746	S	S	*	*			trans	82.9	152	161.2	-61.7	-164.2	149.8	0	0	117.8
461	R	31.6	Very low	30.8	Very low	191 Å²	191	142.4 Å²	142.4	72%	0.721	75%	0.75	S	S	*	*			cis	-155.4	128.7	5.9	-131.9	162.3	168.2	140.4	-9.7	114.7
462	T	29.5	Very low	31	Very low	104 Å²	104	144.3 Å²	144.3	64%	0.638	76%	0.758	S	S	*	*			trans	46.7	143.2	134.3	61.9	0	0	0	0	126.1
463	N	28.1	Very low	31.3	Very low	153 Å²	153	141.2 Å²	141.2	82%	0.818	76%	0.758	S	S	*	*			trans	72.2	153	154.9	-59.5	-4.3	0	0	0	117.4
464	S	29.7	Very low	31.4	Very low	105 Å²	105	136.3 Å²	136.3	73%	0.734	75%	0.749	S	S	*	*			cis	-161.7	173.8	-23.9	58.3	0	0	0	0	106.6
465	S	30.1	Very low	31.5	Very low	106 Å²	106	137.1 Å²	137.1	74%	0.741	75%	0.749	S	S	*	*			cis	-159.8	160.6	31.2	-58.8	0	0	0	0	113.1
466	D	30.1	Very low	32.5	Very low	131 Å²	131	135.5 Å²	135.5	70%	0.701	74%	0.737	S	S	*	*			trans	7.4	136.9	149.3	-162	5.1	0	0	0	122.1	E468	D466-E468 PolarHBondContact OD1-N 3Å
467	S	28.8	Very low	33.2	Very low	126 Å²	126	131 Å²	131	88%	0.881	72%	0.724	S	S	*	*			trans	-159.9	61.1	148.4	-77.9	0	0	0	0	111.5	R469	S467-R469 PolarHBondContact O-N 3.46Å
468	E	42.3	Very low	34.1	Very low	175 Å²	175	129 Å²	129	82%	0.818	71%	0.711	S	S	*	*			trans	-75	115.7	169.2	-77.3	-144.5	128.1	0	0	112.8	D466	D466-E468 PolarHBondContact OD1-N 3Å
469	R	33.5	Very low	35.7	Very low	250 Å²	250	127 Å²	127	94%	0.943	70%	0.704	S	S	*	*			trans	172.3	100.6	130.1	-96.5	171.2	-176.8	-143.6	0.9	113.6	S467	S467-R469 PolarHBondContact O-N 3.46Å
470	S	26	Very low	37.1	Very low	114 Å²	114	126.3 Å²	126.3	80%	0.797	69%	0.693	S	S	*	*			trans	-165	125.1	137.8	-168	0	0	0	0	109.5
471	P	38.6	Very low	39.1	Very low	111 Å²	111	125 Å²	125	72%	0.721	68%	0.682	S	S	*	*			trans	-80.7	161.7	170.7	33.9	-33.4	0	0	0	112
472	E	29.3	Very low	41.3	Very low	170 Å²	170	122.3 Å²	122.3	79%	0.794	68%	0.675	S	S	*	*	S	Bend	trans	106.5	127.5	158.8	-57.8	-161.3	163.1	0	0	120.7	G474	E472-G474 PolarHBondContact O-N 2.67Å
473	L	37.9	Very low	43.9	Very low	160 Å²	160	120.8 Å²	120.8	84%	0.838	67%	0.666	S	S	*	*	S	Bend	trans	67	14.9	147.7	-62.8	168.8	0	0	0	121.4
474	G	31.8	Very low	46.6	Very low	53 Å²	53	113.8 Å²	113.8	55%	0.546	63%	0.628	S	S	.	*	S	Bend	trans	-81.6	-30.5	177.7	0	0	0	0	0	118.4	E472	E472-G474 PolarHBondContact O-N 2.67Å
475	H	32.4	Very low	49.2	Very low	170 Å²	170	114.5 Å²	114.5	79%	0.787	62%	0.616	S	S	*	*	S	Bend	trans	-108.8	-4.7	-150.5	-61.9	-68	0	0	0	118.5
476	S	46.1	Very low	51.9	Low	67 Å²	67	112.6 Å²	112.6	47%	0.469	60%	0.598	S	S	.	*	H	α-helix	trans	-77.6	-41.3	-173.4	53.2	0	0	0	0	114.3	P478 V479 L480	S476-P478 VanDerWaalsContact C-CD 3.47Å; S476-V479 PolarHBondContact O-N 3.35Å; S476-V479 VanDerWaalsContact O-N 3.07Å; S476-L480 PolarHBondContact O-N 2.87Å; S476-L480 VanDerWaalsContact O-N 3.08Å
477	T	49.7	Very low	54.6	Low	77 Å²	77	108.2 Å²	108.2	47%	0.472	57%	0.573	S	S	.	*	H	α-helix	trans	-60.1	-32.7	-168.6	-34.5	0	0	0	0	116	R481	T477-R481 PolarHBondContact O-NE 3.47Å; T477-R481 PolarHBondContact O-NH2 2.9Å
478	P	54.1	Low	57.5	Low	77 Å²	77	102.3 Å²	102.3	50%	0.5	53%	0.531	S	S	.	.	H	α-helix	trans	-72.5	-37.3	173.4	-17.9	32.6	0	0	0	112.6	S476 K482	S476-P478 VanDerWaalsContact C-CD 3.47Å; P478-K482 PolarHBondContact O-N 3.42Å
479	V	60.1	Low	59.6	Low	92 Å²	92	98.8 Å²	98.8	56%	0.558	52%	0.518	S	S	*	.	H	α-helix	trans	-71.9	-45.6	-175.5	-176	0	0	0	0	110.8	S476 R481 K482 V483	S476-V479 PolarHBondContact O-N 3.35Å; S476-V479 VanDerWaalsContact O-N 3.07Å; V479-R481 PolarHBondContact O-N 2.8Å; V479-K482 WeakPolarHBondContact O-CB 3.32Å; V479-K482 PolarHBondContact O-N 3.23Å; V479-K482 VanDerWaalsContact O-N 3.12Å; V479-V483 PolarHBondContact O-N 3.11Å; V479-V483 VanDerWaalsContact O-N 3.09Å
480	L	60.8	Low	62.1	Low	78 Å²	78	93.5 Å²	93.5	41%	0.408	50%	0.504	S	S	.	.	H	α-helix	trans	-58.1	-47.1	177.5	-68.3	170.9	0	0	0	112	S476 K482 V483 V484	S476-L480 PolarHBondContact O-N 2.87Å; S476-L480 VanDerWaalsContact O-N 3.08Å; L480-K482 VanDerWaalsContact C-N 3.3Å; L480-K482 PolarHBondContact O-N 2.94Å; L480-V483 PolarHBondContact O-N 3.44Å; L480-V483 VanDerWaalsContact O-N 3.12Å; L480-V484 PolarHBondContact O-N 2.82Å
481	R	69.8	Low	65.1	Low	116 Å²	116	89.6 Å²	89.6	44%	0.438	47%	0.474	S	S	.	.	H	α-helix	trans	-59.6	-37.7	175.2	-81.2	178.4	-73	145.6	-9.2	112.9	T477 V479 V484 Y485 E534	T477-R481 PolarHBondContact O-NE 3.47Å; T477-R481 PolarHBondContact O-NH2 2.9Å; V479-R481 PolarHBondContact O-N 2.8Å; R481-V484 PolarHBondContact O-N 2.91Å; R481-Y485 WeakPolarHBondContact O-CD2 3.45Å; R481-Y485 PolarHBondContact O-N 3.24Å; R481-Y485 VanDerWaalsContact O-N 3.1Å; R481-E534 HydrophobicContact CG-CG 4.25Å
482	K	78.4	Confident	67.4	Low	134 Å²	134	85.1 Å²	85.1	58%	0.583	44%	0.444	S	S	*	.	H	α-helix	trans	-61.6	-47.1	174.3	-173.8	-173.4	171.5	-171.7	0	111.1	P478 V479 L480 V484 Y485 D486	P478-K482 PolarHBondContact O-N 3.42Å; V479-K482 WeakPolarHBondContact O-CB 3.32Å; V479-K482 PolarHBondContact O-N 3.23Å; V479-K482 VanDerWaalsContact O-N 3.12Å; L480-K482 VanDerWaalsContact C-N 3.3Å; L480-K482 PolarHBondContact O-N 2.94Å; K482-V484 VanDerWaalsContact C-N 3.31Å; K482-V484 PolarHBondContact O-N 2.85Å; K482-Y485 PolarHBondContact O-N 3.3Å; K482-Y485 VanDerWaalsContact O-N 3.14Å; K482-D486 WeakPolarHBondContact CE-OD2 3.39Å; K482-D486 PolarHBondContact O-N 3.07Å
483	V	83.4	Confident	69.8	Low	72 Å²	72	83.8 Å²	83.8	44%	0.436	44%	0.441	S	S	.	.	H	α-helix	trans	-58.4	-42.4	178.3	175.9	0	0	0	0	111.5	V479 L480 Y485 D486 Q487	V479-V483 PolarHBondContact O-N 3.11Å; V479-V483 VanDerWaalsContact O-N 3.09Å; L480-V483 PolarHBondContact O-N 3.44Å; L480-V483 VanDerWaalsContact O-N 3.12Å; V483-Y485 PolarHBondContact O-N 2.77Å; V483-D486 PolarHBondContact O-N 3.24Å; V483-Q487 HydrophobicContact CG1-CG 4.43Å; V483-Q487 WeakPolarHBondContact O-CB 3.23Å; V483-Q487 WeakPolarHBondContact O-CG 3.37Å; V483-Q487 PolarHBondContact O-N 3.34Å
484	V	85.9	Confident	71.7	Confident	5 Å²	5	78.4 Å²	78.4	3%	0.03	42%	0.417	C	S	.	.	H	α-helix	trans	-61.2	-43.4	175.9	172.9	0	0	0	0	111.8	L480 R481 K482 L488 V527 C528 E534 V538	L480-V484 PolarHBondContact O-N 2.82Å; R481-V484 PolarHBondContact O-N 2.91Å; K482-V484 VanDerWaalsContact C-N 3.31Å; K482-V484 PolarHBondContact O-N 2.85Å; V484-L488 HydrophobicContact CG1-CD1 3.98Å; V484-L488 WeakPolarHBondContact O-CB 3.5Å; V484-L488 VanDerWaalsContact O-CG 3.26Å; V484-L488 WeakPolarHBondContact O-CG 3.49Å; V484-L488 PolarHBondContact O-N 3.22Å; V484-V527 HydrophobicContact CG1-CG1 3.97Å; V484-C528 WeakPolarHBondContact CG2-O 3.11Å; V484-E534 HydrophobicContact CG2-CB 4.33Å; V484-E534 HydrophobicContact CG2-CG 4.11Å; V484-V538 HydrophobicContact CG1-CG2 3.92Å
485	Y	85.1	Confident	73.8	Confident	120 Å²	120	78.9 Å²	78.9	47%	0.471	41%	0.407	S	S	.	.	H	α-helix	trans	-67.4	-40.2	175.1	-77.5	-63.3	0	0	0	112.9	R481 K482 V483 Q487 L488 N489	R481-Y485 WeakPolarHBondContact O-CD2 3.45Å; R481-Y485 PolarHBondContact O-N 3.24Å; R481-Y485 VanDerWaalsContact O-N 3.1Å; K482-Y485 PolarHBondContact O-N 3.3Å; K482-Y485 VanDerWaalsContact O-N 3.14Å; V483-Y485 PolarHBondContact O-N 2.77Å; Y485-Q487 VanDerWaalsContact C-N 3.34Å; Y485-Q487 PolarHBondContact O-N 2.79Å; Y485-L488 HydrophobicContact CD1-CD1 4.4Å; Y485-L488 PolarHBondContact O-N 3.13Å; Y485-N489 WeakPolarHBondContact O-CB 3.43Å; Y485-N489 PolarHBondContact O-N 2.84Å; Y485-N489 PolarHBondContact O-ND2 2.78Å; Y485-N489 VanDerWaalsContact O-ND2 3.12Å
486	D	86.1	Confident	75.8	Confident	67 Å²	67	74.4 Å²	74.4	36%	0.358	40%	0.395	S	S	.	.	H	α-helix	trans	-66.6	-34.7	177.9	-70.8	-19.6	0	0	0	111.7	K482 V483 Q490	K482-D486 WeakPolarHBondContact CE-OD2 3.39Å; K482-D486 PolarHBondContact O-N 3.07Å; V483-D486 PolarHBondContact O-N 3.24Å; D486-Q490 WeakPolarHBondContact O-CG 3.32Å; D486-Q490 PolarHBondContact O-N 3.45Å; D486-Q490 PolarHBondContact O-NE2 3.38Å
487	Q	87.3	Confident	77.6	Confident	38 Å²	38	73.5 Å²	73.5	18%	0.178	39%	0.392	C	S	.	.	H	α-helix	trans	-66.5	-48.8	169.8	-74.9	176.2	-17.6	0	0	111.7	V483 Y485 N489 Q490 I491 V527	V483-Q487 HydrophobicContact CG1-CG 4.43Å; V483-Q487 WeakPolarHBondContact O-CB 3.23Å; V483-Q487 WeakPolarHBondContact O-CG 3.37Å; V483-Q487 PolarHBondContact O-N 3.34Å; Y485-Q487 VanDerWaalsContact C-N 3.34Å; Y485-Q487 PolarHBondContact O-N 2.79Å; Q487-N489 VanDerWaalsContact C-N 3.33Å; Q487-N489 PolarHBondContact O-N 2.84Å; Q487-Q490 PolarHBondContact O-N 3.22Å; Q487-I491 WeakPolarHBondContact O-CG1 3.33Å; Q487-I491 PolarHBondContact O-N 2.74Å; Q487-I491 VanDerWaalsContact O-N 3.12Å; Q487-V527 HydrophobicContact CB-CG2 4.33Å
488	L	89.2	Confident	79.5	Confident	3 Å²	3	71.5 Å²	71.5	2%	0.016	38%	0.378	C	S	.	.	H	α-helix	trans	-58.4	-43.2	177.7	-77	166.5	0	0	0	112	V484 Y485 Q490 I491 L492 L502 V527 V538 A541	V484-L488 HydrophobicContact CG1-CD1 3.98Å; V484-L488 WeakPolarHBondContact O-CB 3.5Å; V484-L488 VanDerWaalsContact O-CG 3.26Å; V484-L488 WeakPolarHBondContact O-CG 3.49Å; V484-L488 PolarHBondContact O-N 3.22Å; Y485-L488 HydrophobicContact CD1-CD1 4.4Å; Y485-L488 PolarHBondContact O-N 3.13Å; L488-Q490 VanDerWaalsContact C-N 3.3Å; L488-Q490 PolarHBondContact O-N 3.12Å; L488-I491 PolarHBondContact O-N 3.35Å; L488-L492 HydrophobicContact CB-CD1 4.4Å; L488-L492 HydrophobicContact CD2-CD1 3.94Å; L488-L492 WeakPolarHBondContact O-CB 3.29Å; L488-L492 VanDerWaalsContact O-CG 3.3Å; L488-L492 WeakPolarHBondContact O-CG 3.43Å; L488-L492 PolarHBondContact O-N 3.16Å; L488-L502 HydrophobicContact CD2-CD1 3.98Å; L488-V527 HydrophobicContact CD2-CG2 4.14Å; L488-V527 HydrophobicContact CG-CG2 4.39Å; L488-V538 HydrophobicContact CD1-CG2 4.05Å; L488-V538 HydrophobicContact CD2-CB 4.46Å; L488-V538 HydrophobicContact CD2-CG1 4.25Å; L488-V538 HydrophobicContact CD2-CG2 4.21Å; L488-V538 HydrophobicContact CG-CG2 4.4Å; L488-A541 HydrophobicContact CD1-CB 4.02Å; L488-A541 HydrophobicContact CD2-CB 4.25Å
489	N	86.4	Confident	81.3	Confident	101 Å²	101	69.1 Å²	69.1	54%	0.54	36%	0.363	S	S	.	.	H	α-helix	trans	-62.5	-35.7	178.3	-72.6	-30.5	0	0	0	112.4	Y485 Q487 L493	Y485-N489 WeakPolarHBondContact O-CB 3.43Å; Y485-N489 PolarHBondContact O-N 2.84Å; Y485-N489 PolarHBondContact O-ND2 2.78Å; Y485-N489 VanDerWaalsContact O-ND2 3.12Å; Q487-N489 VanDerWaalsContact C-N 3.33Å; Q487-N489 PolarHBondContact O-N 2.84Å; N489-L493 WeakPolarHBondContact O-CD2 3.34Å
490	Q	85.9	Confident	82.8	Confident	139 Å²	139	70.6 Å²	70.6	65%	0.65	36%	0.364	S	S	*	.	H	α-helix	trans	-73	-28.6	176	-74.6	171.2	85.7	0	0	113.7	D486 Q487 L488 L493	D486-Q490 WeakPolarHBondContact O-CG 3.32Å; D486-Q490 PolarHBondContact O-N 3.45Å; D486-Q490 PolarHBondContact O-NE2 3.38Å; Q487-Q490 PolarHBondContact O-N 3.22Å; L488-Q490 VanDerWaalsContact C-N 3.3Å; L488-Q490 PolarHBondContact O-N 3.12Å; Q490-L493 WeakPolarHBondContact O-CD1 3.44Å; Q490-L493 WeakPolarHBondContact O-CG 3.17Å
491	I	88.4	Confident	84.4	Confident	32 Å²	32	67.6 Å²	67.6	16%	0.164	35%	0.349	C	S	.	.	H	α-helix	trans	-85.8	-36.1	177.9	-63.7	164.3	0	0	0	111.1	Q487 L488 L493 P499 L502 P525 V527	Q487-I491 WeakPolarHBondContact O-CG1 3.33Å; Q487-I491 PolarHBondContact O-N 2.74Å; Q487-I491 VanDerWaalsContact O-N 3.12Å; L488-I491 PolarHBondContact O-N 3.35Å; I491-L493 PolarHBondContact O-N 3.42Å; I491-P499 HydrophobicContact CG2-CB 4.31Å; I491-P499 HydrophobicContact CG2-CG 4.34Å; I491-L502 HydrophobicContact CD1-CD1 4.43Å; I491-L502 HydrophobicContact CG2-CD1 4.21Å; I491-P525 HydrophobicContact CB-CB 4.46Å; I491-P525 HydrophobicContact CD1-CB 3.95Å; I491-P525 HydrophobicContact CG1-CB 3.81Å; I491-P525 HydrophobicContact CG2-CB 3.82Å; I491-V527 HydrophobicContact CD1-CG2 3.55Å
492	L	87.2	Confident	85.7	Confident	16 Å²	16	62 Å²	62	8%	0.084	33%	0.328	C	S	.	.	S	Bend	trans	-100.9	38.2	-169.7	-59.3	179.2	0	0	0	112.7	L488 S494 P499 A541 R545	L488-L492 HydrophobicContact CB-CD1 4.4Å; L488-L492 HydrophobicContact CD2-CD1 3.94Å; L488-L492 WeakPolarHBondContact O-CB 3.29Å; L488-L492 VanDerWaalsContact O-CG 3.3Å; L488-L492 WeakPolarHBondContact O-CG 3.43Å; L488-L492 PolarHBondContact O-N 3.16Å; L492-S494 PolarHBondContact O-N 3.42Å; L492-P499 HydrophobicContact CD2-CG 3.84Å; L492-A541 HydrophobicContact CD1-CB 4.09Å; L492-R545 HydrophobicContact CB-CG 4.46Å; L492-R545 HydrophobicContact CD2-CG 4.16Å; L492-R545 PolarHBondContact O-NE 2.88Å; L492-R545 PolarHBondContact O-NH2 3.22Å
493	L	80.1	Confident	86.6	Confident	142 Å²	142	55.7 Å²	55.7	74%	0.743	30%	0.3	S	S	*	.			trans	-58.6	-39.3	-166.5	-70	164	0	0	0	116.2	N489 Q490 I491	N489-L493 WeakPolarHBondContact O-CD2 3.34Å; Q490-L493 WeakPolarHBondContact O-CD1 3.44Å; Q490-L493 WeakPolarHBondContact O-CG 3.17Å; I491-L493 PolarHBondContact O-N 3.42Å
494	S	77.9	Confident	87.3	Confident	48 Å²	48	52.2 Å²	52.2	34%	0.336	28%	0.279	S	S	.	.			trans	-112.1	136	-169.3	-174.6	0	0	0	0	114.5	L492 S496 R545	L492-S494 PolarHBondContact O-N 3.42Å; S494-S496 PolarHBondContact O-N 3.42Å; S494-S496 PolarHBondContact OG-N 2.99Å; S494-S496 VanDerWaalsContact OG-N 3.11Å; S494-S496 PolarHBondContact OG-OG 2.94Å; S494-R545 PolarHBondContact O-NH2 3.09Å
495	D	75.4	Confident	87.9	Confident	62 Å²	62	52 Å²	52	33%	0.332	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-17	170.5	-79.6	41	0	0	0	112.8	R545 K548	D495-R545 IonicContact OD1-CZ 2.84Å; D495-R545 IonicContact OD1-NH1 2.7Å; D495-R545 PolarHBondContact OD1-NH1 3.2Å; D495-R545 IonicContact OD1-NH2 3.95Å; D495-R545 PolarHBondContact OD1-NH2 2.87Å; D495-R545 IonicContact OD2-NH1 3.55Å; D495-K548 IonicContact OD1-NZ 3.19Å; D495-K548 PolarHBondContact OD1-NZ 2.99Å; D495-K548 WeakPolarHBondContact OD2-CD 3.49Å; D495-K548 WeakPolarHBondContact OD2-CE 3.31Å; D495-K548 IonicContact OD2-NZ 2.7Å; D495-K548 PolarHBondContact OD2-NZ 3.36Å
496	S	74.4	Confident	88.4	Confident	76 Å²	76	47 Å²	47	53%	0.531	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	0.3	178.5	74.9	0	0	0	0	114.6	S494 F549	S494-S496 PolarHBondContact O-N 3.42Å; S494-S496 PolarHBondContact OG-N 2.99Å; S494-S496 VanDerWaalsContact OG-N 3.11Å; S494-S496 PolarHBondContact OG-OG 2.94Å; S496-F549 WeakPolarHBondContact O-CE2 3.43Å
497	A	84.6	Confident	88.8	Confident	49 Å²	49	44.1 Å²	44.1	41%	0.405	25%	0.246	S	C	.	.			trans	-147.2	141.2	-177.6	0	0	0	0	0	112.2
498	L	89.4	Confident	89	Confident	35 Å²	35	45.8 Å²	45.8	18%	0.183	26%	0.259	C	S	.	.			trans	-99.9	146	170.2	-63.5	176.2	0	0	0	110	R545 I546 F549 P557 V560	L498-R545 HydrophobicContact CD2-CB 3.9Å; L498-R545 HydrophobicContact CD2-CG 3.69Å; L498-I546 HydrophobicContact CD1-CG1 3.98Å; L498-I546 HydrophobicContact CD2-CG1 4.32Å; L498-F549 HydrophobicContact CD1-CB 4.1Å; L498-F549 HydrophobicContact CD1-CD1 4.18Å; L498-F549 HydrophobicContact CD1-CD2 4.43Å; L498-F549 HydrophobicContact CD1-CG 3.97Å; L498-F549 HydrophobicContact CD2-CB 3.88Å; L498-F549 HydrophobicContact CD2-CG 4.37Å; L498-F549 HydrophobicContact CG-CB 3.87Å; L498-F549 HydrophobicContact CG-CD1 4.47Å; L498-F549 HydrophobicContact CG-CD2 3.87Å; L498-F549 HydrophobicContact CG-CG 3.8Å; L498-P557 HydrophobicContact CD1-CB 3.47Å; L498-P557 VanDerWaalsContact CD1-CB 3.47Å; L498-V560 HydrophobicContact CB-CG2 4.16Å; L498-V560 HydrophobicContact CD1-CG2 4.08Å
499	P	91.5	Very high	89	Confident	27 Å²	27	49.1 Å²	49.1	18%	0.175	28%	0.277	C	S	.	.			trans	-66	146.7	169.5	31.9	-36.8	0	0	0	110	I491 L492 S501 V560	I491-P499 HydrophobicContact CG2-CB 4.31Å; I491-P499 HydrophobicContact CG2-CG 4.34Å; L492-P499 HydrophobicContact CD2-CG 3.84Å; P499-S501 VanDerWaalsContact C-N 3.29Å; P499-S501 PolarHBondContact O-N 2.94Å; P499-V560 HydrophobicContact CG-CG1 4.41Å
500	E	91.8	Very high	89.3	Confident	123 Å²	123	46.4 Å²	46.4	58%	0.575	26%	0.259	S	S	*	.	S	Bend	trans	-64.9	-37.3	173.3	178.8	173.7	173.8	0	0	111.5	K561	E500-K561 HydrophobicContact CG-CD 4.14Å; E500-K561 VanDerWaalsContact O-CB 3.31Å; E500-K561 WeakPolarHBondContact O-CB 3.33Å; E500-K561 WeakPolarHBondContact O-CG 3.44Å; E500-K561 PolarHBondContact O-N 3.14Å; E500-K561 IonicContact OE1-NZ 2.92Å; E500-K561 PolarHBondContact OE1-NZ 3.33Å
501	S	94.9	Very high	89.7	Confident	14 Å²	14	41.5 Å²	41.5	10%	0.098	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	154.2	178.9	63	0	0	0	0	112.4	P499 P525 K561	P499-S501 VanDerWaalsContact C-N 3.29Å; P499-S501 PolarHBondContact O-N 2.94Å; S501-P525 WeakPolarHBondContact O-CG 3.45Å; S501-K561 CarbonylContact C-O 3.43Å; S501-K561 WeakPolarHBondContact CA-O 3.43Å; S501-K561 WeakPolarHBondContact CB-O 3.37Å
502	L	96.3	Very high	90	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.1	165.4	176.8	148.9	0	0	0	106.8	L488 I491 L504 V527 V538 V542 K561 V562 V563	L488-L502 HydrophobicContact CD2-CD1 3.98Å; I491-L502 HydrophobicContact CD1-CD1 4.43Å; I491-L502 HydrophobicContact CG2-CD1 4.21Å; L502-L504 HydrophobicContact CD2-CB 4.08Å; L502-V527 HydrophobicContact CD1-CG2 4.07Å; L502-V527 HydrophobicContact CD2-CG2 4.36Å; L502-V527 HydrophobicContact CG-CG2 4.26Å; L502-V538 HydrophobicContact CD1-CG1 4.49Å; L502-V538 HydrophobicContact CD2-CG1 3.86Å; L502-V542 HydrophobicContact CD1-CG2 3.97Å; L502-K561 PolarHBondContact N-O 3.35Å; L502-V562 WeakPolarHBondContact O-CA 3.3Å; L502-V563 PolarHBondContact O-N 2.8Å
503	I	97.7	Very high	90.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.9	-180	-48.3	-177.6	0	0	0	108.5	V505 L519 H524 P525 V526 V527 V563 V565 I646 I650	I503-V505 HydrophobicContact CG2-CG2 3.78Å; I503-L519 HydrophobicContact CD1-CD1 3.96Å; I503-L519 HydrophobicContact CD1-CD2 3.99Å; I503-L519 HydrophobicContact CG2-CD1 3.91Å; I503-H524 HydrophobicContact CD1-CB 3.85Å; I503-P525 PolarHBondContact N-O 3.16Å; I503-V526 HydrophobicContact CB-CG2 4.36Å; I503-V526 CarbonylContact O-C 3.5Å; I503-V526 WeakPolarHBondContact O-CA 3.21Å; I503-V527 PolarHBondContact O-N 3.33Å; I503-V563 HydrophobicContact CB-CB 4.32Å; I503-V563 HydrophobicContact CG1-CB 4.22Å; I503-V563 HydrophobicContact CG1-CG2 4.08Å; I503-V563 HydrophobicContact CG2-CB 4.05Å; I503-V563 HydrophobicContact CG2-CG1 4.32Å; I503-V565 HydrophobicContact CG2-CG2 3.57Å; I503-I646 HydrophobicContact CD1-CG2 4.13Å; I503-I650 HydrophobicContact CD1-CD1 3.91Å; I503-I650 HydrophobicContact CG1-CD1 4.21Å
504	L	97.7	Very high	90.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	109.6	-175.7	177.4	51.2	0	0	0	108	L502 T529 V538 V562 V563 V565 Y570 I574	L502-L504 HydrophobicContact CD2-CB 4.08Å; L504-T529 HydrophobicContact CD1-CG2 3.51Å; L504-V538 HydrophobicContact CD1-CB 4.48Å; L504-V538 HydrophobicContact CD1-CG1 4.18Å; L504-V538 HydrophobicContact CD1-CG2 4.35Å; L504-V538 HydrophobicContact CD2-CG1 4.2Å; L504-V562 HydrophobicContact CB-CG1 4.44Å; L504-V562 HydrophobicContact CD2-CG1 4.23Å; L504-V563 PolarHBondContact N-O 2.82Å; L504-V563 VanDerWaalsContact O-O 3.09Å; L504-V565 PolarHBondContact O-N 2.8Å; L504-Y570 WeakPolarHBondContact CD1-OH 3.17Å; L504-Y570 HydrophobicContact CG-CE1 4.41Å; L504-Y570 VanDerWaalsContact CG-OH 3.27Å; L504-Y570 WeakPolarHBondContact CG-OH 3.49Å; L504-I574 HydrophobicContact CD2-CD1 3.84Å; L504-I574 HydrophobicContact CD2-CG1 4.05Å; L504-I574 HydrophobicContact CG-CD1 4.17Å
505	V	97.7	Very high	91.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133.1	-167.8	-170.8	0	0	0	0	111.7	I503 G507 G512 A516 V526 V527 T529 V565 Y570	I503-V505 HydrophobicContact CG2-CG2 3.78Å; V505-G507 PolarHBondContact O-N 2.9Å; V505-G507 VanDerWaalsContact O-N 3.15Å; V505-G512 VanDerWaalsContact CG1-O 3.22Å; V505-G512 WeakPolarHBondContact CG1-O 3.22Å; V505-A516 HydrophobicContact CG1-CB 4.26Å; V505-V526 HydrophobicContact CG2-CG1 3.86Å; V505-V527 PolarHBondContact N-O 3.11Å; V505-T529 PolarHBondContact O-N 3.11Å; V505-V565 HydrophobicContact CB-CB 4.33Å; V505-V565 HydrophobicContact CG1-CB 4.16Å; V505-V565 HydrophobicContact CG1-CG1 4.11Å; V505-V565 HydrophobicContact CG2-CB 4.04Å; V505-V565 HydrophobicContact CG2-CG2 4.13Å; V505-Y570 PolarHBondContact N-OH 2.91Å; V505-Y570 PolarHBondContact O-OH 3.3Å
506	N	95.8	Very high	92.7	Very high	14 Å²	14	33.9 Å²	33.9	8%	0.075	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	108.2	174.3	-168.7	34.3	0	0	0	111.1	T508 D509 G512 V565 Y570	N506-T508 PolarHBondContact ND2-OG1 3.2Å; N506-T508 PolarHBondContact OD1-OG1 2.97Å; N506-D509 PolarHBondContact ND2-OD2 2.86Å; N506-G512 WeakPolarHBondContact O-CA 3.45Å; N506-V565 PolarHBondContact N-O 3.32Å; N506-Y570 HydrophobicContact CB-CD1 3.97Å; N506-Y570 HydrophobicContact CB-CD2 3.57Å; N506-Y570 HydrophobicContact CB-CE1 4.09Å; N506-Y570 HydrophobicContact CB-CE2 3.72Å; N506-Y570 HydrophobicContact CB-CG 3.71Å; N506-Y570 PolarHBondContact N-OH 3.43Å; N506-Y570 WeakPolarHBondContact OD1-CD2 3.22Å
507	G	94.3	Very high	93.6	Very high	7 Å²	7	36.8 Å²	36.8	7%	0.072	19%	0.194	C	C	.	.			trans	-83.9	-4.4	-177.8	0	0	0	0	0	115	V505 Q513 T529 C530	V505-G507 PolarHBondContact O-N 2.9Å; V505-G507 VanDerWaalsContact O-N 3.15Å; G507-Q513 PolarHBondContact O-NE2 3.34Å; G507-T529 PolarHBondContact N-O 2.91Å; G507-C530 VanDerWaalsContact C-SG 3.55Å
508	T	91.8	Very high	94	Very high	74 Å²	74	36.5 Å²	36.5	45%	0.454	18%	0.184	S	C	.	.	S	Bend	trans	-71.2	-31	-175.3	61.5	0	0	0	0	113.6	N506 C530	N506-T508 PolarHBondContact ND2-OG1 3.2Å; N506-T508 PolarHBondContact OD1-OG1 2.97Å; T508-C530 HydrophobicContact CG2-CB 4.26Å; T508-C530 WeakPolarHBondContact CG2-O 3.33Å
509	D	90.4	Very high	94.2	Very high	73 Å²	73	34.9 Å²	34.9	39%	0.39	18%	0.175	S	C	.	.	S	Bend	trans	-118.3	150.8	-168.3	-33.1	-44.7	0	0	0	110.4	N506 Q511 G512 Q513	N506-D509 PolarHBondContact ND2-OD2 2.86Å; D509-Q511 PolarHBondContact O-N 2.78Å; D509-Q511 VanDerWaalsContact O-N 3.13Å; D509-G512 PolarHBondContact O-N 2.99Å; D509-G512 VanDerWaalsContact O-N 3.13Å; D509-Q513 PolarHBondContact O-N 2.86Å
510	W	92.3	Very high	94.1	Very high	44 Å²	44	38.1 Å²	38.1	17%	0.167	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-33.3	-177.3	75.4	-107.4	0	0	0	112.1	G512 Q513 F514 R631 S632 E633 P634 P635	W510-G512 VanDerWaalsContact C-N 3.3Å; W510-G512 PolarHBondContact O-N 2.75Å; W510-Q513 PolarHBondContact O-N 2.86Å; W510-F514 HydrophobicContact CE3-CB 4.21Å; W510-F514 HydrophobicContact CZ3-CB 4.43Å; W510-F514 WeakPolarHBondContact O-CB 3.34Å; W510-F514 PolarHBondContact O-N 3.09Å; W510-R631 HydrophobicContact CZ2-CB 4.24Å; W510-R631 WeakPolarHBondContact CZ2-O 3.44Å; W510-S632 VanDerWaalsContact NE1-C 3.33Å; W510-S632 PolarHBondContact NE1-O 2.91Å; W510-E633 VanDerWaalsContact CE2-C 3.48Å; W510-E633 WeakPolarHBondContact CZ2-O 3.39Å; W510-P634 HydrophobicContact CD2-CB 3.97Å; W510-P634 HydrophobicContact CE3-CB 3.62Å; W510-P634 HydrophobicContact CG-CB 4.48Å; W510-P634 HydrophobicContact CZ3-CB 4.09Å; W510-P635 VanDerWaalsContact CZ3-CD 3.5Å
511	Q	94.3	Very high	93.9	Very high	36 Å²	36	35.5 Å²	35.5	17%	0.168	19%	0.194	C	C	.	.	H	α-helix	trans	-57.5	-45	-179.1	-65.9	83.1	-7.9	0	0	110.7	D509 V515 L600 F629 R631	D509-Q511 PolarHBondContact O-N 2.78Å; D509-Q511 VanDerWaalsContact O-N 3.13Å; Q511-V515 WeakPolarHBondContact O-CG2 3.42Å; Q511-V515 PolarHBondContact O-N 3.15Å; Q511-L600 HydrophobicContact CB-CB 4.25Å; Q511-L600 HydrophobicContact CB-CD1 3.88Å; Q511-L600 HydrophobicContact CB-CG 4.47Å; Q511-F629 HydrophobicContact CB-CD1 3.9Å; Q511-F629 HydrophobicContact CB-CE1 4.4Å; Q511-F629 HydrophobicContact CG-CD1 3.97Å; Q511-R631 PolarHBondContact NE2-O 3.12Å
512	G	94.8	Very high	93.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-76.1	-34.3	178.9	0	0	0	0	0	112.9	V505 N506 D509 W510 V515 A516	V505-G512 VanDerWaalsContact CG1-O 3.22Å; V505-G512 WeakPolarHBondContact CG1-O 3.22Å; N506-G512 WeakPolarHBondContact O-CA 3.45Å; D509-G512 PolarHBondContact O-N 2.99Å; D509-G512 VanDerWaalsContact O-N 3.13Å; W510-G512 VanDerWaalsContact C-N 3.3Å; W510-G512 PolarHBondContact O-N 2.75Å; G512-V515 PolarHBondContact O-N 3.05Å; G512-A516 VanDerWaalsContact O-CB 3.32Å; G512-A516 WeakPolarHBondContact O-CB 3.38Å; G512-A516 PolarHBondContact O-N 3.39Å
513	Q	93.3	Very high	93.3	Very high	109 Å²	109	50.9 Å²	50.9	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-45.2	174.2	-64.9	173	8.9	0	0	111.5	G507 D509 W510 A516 E517	G507-Q513 PolarHBondContact O-NE2 3.34Å; D509-Q513 PolarHBondContact O-N 2.86Å; W510-Q513 PolarHBondContact O-N 2.86Å; Q513-A516 WeakPolarHBondContact O-CB 3.34Å; Q513-A516 PolarHBondContact O-N 3.49Å; Q513-E517 PolarHBondContact O-N 3.01Å
514	F	93.3	Very high	93	Very high	26 Å²	26	53.1 Å²	53.1	11%	0.114	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-46.9	174.4	173.9	-106.8	0	0	0	112.4	W510 A516 E517 Q518 F629 P635 D638 V642	W510-F514 HydrophobicContact CE3-CB 4.21Å; W510-F514 HydrophobicContact CZ3-CB 4.43Å; W510-F514 WeakPolarHBondContact O-CB 3.34Å; W510-F514 PolarHBondContact O-N 3.09Å; F514-A516 VanDerWaalsContact C-N 3.31Å; F514-A516 PolarHBondContact O-N 3.15Å; F514-E517 PolarHBondContact O-N 3.2Å; F514-Q518 HydrophobicContact CE2-CG 4.27Å; F514-Q518 HydrophobicContact CZ-CG 4.22Å; F514-Q518 WeakPolarHBondContact O-CG 3.3Å; F514-Q518 PolarHBondContact O-N 2.72Å; F514-Q518 VanDerWaalsContact O-N 3.16Å; F514-F629 HydrophobicContact CD1-CE1 4.1Å; F514-F629 HydrophobicContact CD1-CZ 4.38Å; F514-F629 HydrophobicContact CE1-CZ 4.49Å; F514-P635 HydrophobicContact CD1-CG 4.42Å; F514-P635 HydrophobicContact CD2-CG 4.32Å; F514-P635 HydrophobicContact CE1-CG 3.96Å; F514-P635 HydrophobicContact CE2-CG 3.86Å; F514-P635 HydrophobicContact CZ-CG 3.66Å; F514-D638 WeakPolarHBondContact CE2-OD1 3.34Å; F514-D638 WeakPolarHBondContact CZ-OD1 3.36Å; F514-V642 HydrophobicContact CE1-CG2 4.27Å
515	V	95.3	Very high	92.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-36.8	175.9	176.9	0	0	0	0	111.8	Q511 G512 L519 V565 L600 F629 V642 I646	Q511-V515 WeakPolarHBondContact O-CG2 3.42Å; Q511-V515 PolarHBondContact O-N 3.15Å; G512-V515 PolarHBondContact O-N 3.05Å; V515-L519 HydrophobicContact CG1-CD1 3.68Å; V515-L519 HydrophobicContact CG1-CG 4.25Å; V515-L519 WeakPolarHBondContact O-CB 3.36Å; V515-L519 WeakPolarHBondContact O-CD1 3.47Å; V515-L519 VanDerWaalsContact O-CG 3.22Å; V515-L519 WeakPolarHBondContact O-CG 3.45Å; V515-L519 PolarHBondContact O-N 3.03Å; V515-L519 VanDerWaalsContact O-N 3.09Å; V515-V565 HydrophobicContact CB-CG1 4.29Å; V515-V565 HydrophobicContact CG1-CG1 3.82Å; V515-L600 HydrophobicContact CG2-CD2 4.13Å; V515-F629 HydrophobicContact CG2-CE1 3.66Å; V515-F629 HydrophobicContact CG2-CZ 3.52Å; V515-V642 HydrophobicContact CB-CG1 4.28Å; V515-V642 HydrophobicContact CG1-CG1 3.83Å; V515-V642 HydrophobicContact CG2-CG1 3.81Å; V515-I646 HydrophobicContact CG1-CD1 3.63Å
516	A	94.8	Very high	92.6	Very high	4 Å²	4	55.3 Å²	55.3	3%	0.033	28%	0.279	C	S	.	.	H	α-helix	trans	-65.3	-42.3	176.5	0	0	0	0	0	112.6	V505 G512 Q513 F514 L519 Q520 V526 C528	V505-A516 HydrophobicContact CG1-CB 4.26Å; G512-A516 VanDerWaalsContact O-CB 3.32Å; G512-A516 WeakPolarHBondContact O-CB 3.38Å; G512-A516 PolarHBondContact O-N 3.39Å; Q513-A516 WeakPolarHBondContact O-CB 3.34Å; Q513-A516 PolarHBondContact O-N 3.49Å; F514-A516 VanDerWaalsContact C-N 3.31Å; F514-A516 PolarHBondContact O-N 3.15Å; A516-L519 PolarHBondContact O-N 2.83Å; A516-Q520 VanDerWaalsContact O-CB 3.3Å; A516-Q520 WeakPolarHBondContact O-CB 3.39Å; A516-Q520 WeakPolarHBondContact O-CG 3.18Å; A516-Q520 PolarHBondContact O-N 3.05Å; A516-V526 HydrophobicContact CB-CG1 4.31Å; A516-C528 VanDerWaalsContact CB-SG 3.51Å
517	E	93.1	Very high	92.6	Very high	138 Å²	138	54.6 Å²	54.6	65%	0.645	28%	0.275	S	S	*	.	H	α-helix	trans	-60.6	-50.2	176.8	-176.9	170.6	-162.2	0	0	111.5	Q513 F514 L519 Q520 G521	Q513-E517 PolarHBondContact O-N 3.01Å; F514-E517 PolarHBondContact O-N 3.2Å; E517-L519 VanDerWaalsContact C-N 3.34Å; E517-L519 PolarHBondContact O-N 3.39Å; E517-Q520 PolarHBondContact O-N 3.37Å; E517-G521 PolarHBondContact O-N 2.89Å
518	Q	93.1	Very high	92.6	Very high	43 Å²	43	55.8 Å²	55.8	20%	0.201	28%	0.282	C	S	.	.	H	α-helix	trans	-55.8	-45.6	176.5	-71.7	-65.8	-33.9	0	0	112.6	F514 Q522 D638	F514-Q518 HydrophobicContact CE2-CG 4.27Å; F514-Q518 HydrophobicContact CZ-CG 4.22Å; F514-Q518 WeakPolarHBondContact O-CG 3.3Å; F514-Q518 PolarHBondContact O-N 2.72Å; F514-Q518 VanDerWaalsContact O-N 3.16Å; Q518-Q522 PolarHBondContact O-N 3.06Å; Q518-D638 PolarHBondContact NE2-OD1 2.79Å; Q518-D638 PolarHBondContact NE2-OD2 2.97Å
519	L	94.4	Very high	92.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-71.5	-34.7	179.5	-71.6	170.5	0	0	0	113.1	I503 V515 A516 E517 Q522 R523 H524 V526 I646	I503-L519 HydrophobicContact CD1-CD1 3.96Å; I503-L519 HydrophobicContact CD1-CD2 3.99Å; I503-L519 HydrophobicContact CG2-CD1 3.91Å; V515-L519 HydrophobicContact CG1-CD1 3.68Å; V515-L519 HydrophobicContact CG1-CG 4.25Å; V515-L519 WeakPolarHBondContact O-CB 3.36Å; V515-L519 WeakPolarHBondContact O-CD1 3.47Å; V515-L519 VanDerWaalsContact O-CG 3.22Å; V515-L519 WeakPolarHBondContact O-CG 3.45Å; V515-L519 PolarHBondContact O-N 3.03Å; V515-L519 VanDerWaalsContact O-N 3.09Å; A516-L519 PolarHBondContact O-N 2.83Å; E517-L519 VanDerWaalsContact C-N 3.34Å; E517-L519 PolarHBondContact O-N 3.39Å; L519-Q522 CarbonylContact O-C 3.5Å; L519-Q522 PolarHBondContact O-N 3.34Å; L519-R523 PolarHBondContact O-N 3.34Å; L519-H524 HydrophobicContact CB-CB 4.22Å; L519-H524 HydrophobicContact CD2-CB 4.28Å; L519-H524 PolarHBondContact O-CD2 2.95Å; L519-H524 PolarHBondContact O-N 2.91Å; L519-V526 HydrophobicContact CB-CG2 3.51Å; L519-V526 HydrophobicContact CD1-CG2 4.11Å; L519-V526 HydrophobicContact CG-CG2 4.46Å; L519-I646 HydrophobicContact CD1-CD1 4.07Å; L519-I646 HydrophobicContact CD2-CB 4.35Å; L519-I646 HydrophobicContact CD2-CD1 4.28Å; L519-I646 HydrophobicContact CD2-CG2 4.16Å; L519-I646 HydrophobicContact CG-CD1 4.47Å
520	Q	90.4	Very high	92.9	Very high	96 Å²	96	51.7 Å²	51.7	45%	0.449	26%	0.261	S	S	.	.	H	α-helix	trans	-69.2	-38.2	176	-75.8	173.6	28.4	0	0	111.6	A516 E517 Q522 R523 V526	A516-Q520 VanDerWaalsContact O-CB 3.3Å; A516-Q520 WeakPolarHBondContact O-CB 3.39Å; A516-Q520 WeakPolarHBondContact O-CG 3.18Å; A516-Q520 PolarHBondContact O-N 3.05Å; E517-Q520 PolarHBondContact O-N 3.37Å; Q520-Q522 PolarHBondContact O-N 3.12Å; Q520-R523 PolarHBondContact O-N 3.43Å; Q520-V526 HydrophobicContact CG-CB 4.31Å; Q520-V526 HydrophobicContact CG-CG2 4.45Å
521	G	87.5	Confident	92.9	Very high	68 Å²	68	51.4 Å²	51.4	70%	0.701	27%	0.266	S	S	*	.	H	α-helix	trans	-56.5	-35.5	172.5	0	0	0	0	0	113	E517	E517-G521 PolarHBondContact O-N 2.89Å
522	Q	88.6	Confident	92.7	Very high	106 Å²	106	53.5 Å²	53.5	50%	0.495	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	9	175.6	-59.6	-171	11.9	0	0	114.1	Q518 L519 Q520 H524 S643	Q518-Q522 PolarHBondContact O-N 3.06Å; L519-Q522 CarbonylContact O-C 3.5Å; L519-Q522 PolarHBondContact O-N 3.34Å; Q520-Q522 PolarHBondContact O-N 3.12Å; Q522-H524 PolarHBondContact O-N 3.28Å; Q522-S643 VanDerWaalsContact CD-CB 3.45Å; Q522-S643 VanDerWaalsContact OE1-CB 3.26Å; Q522-S643 PolarHBondContact OE1-OG 3.33Å
523	R	88.6	Confident	92.5	Very high	231 Å²	231	56.3 Å²	56.3	87%	0.872	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	33	177.6	-54.6	-176.8	176	-166.2	-1.8	115.3	L519 Q520	L519-R523 PolarHBondContact O-N 3.34Å; Q520-R523 PolarHBondContact O-N 3.43Å
524	H	91.6	Very high	92.5	Very high	47 Å²	47	51.5 Å²	51.5	22%	0.218	28%	0.283	C	S	.	.			trans	-70	155.4	173.3	-71	-71	0	0	0	112.5	I503 L519 Q522 V526 S643 S647	I503-H524 HydrophobicContact CD1-CB 3.85Å; L519-H524 HydrophobicContact CB-CB 4.22Å; L519-H524 HydrophobicContact CD2-CB 4.28Å; L519-H524 PolarHBondContact O-CD2 2.95Å; L519-H524 PolarHBondContact O-N 2.91Å; Q522-H524 PolarHBondContact O-N 3.28Å; H524-V526 HydrophobicContact CB-CG2 4.12Å; H524-V526 PolarHBondContact O-N 3.42Å; H524-S643 PolarHBondContact CD2-OG 3.47Å; H524-S643 PolarHBondContact NE2-OG 3.44Å; H524-S647 PolarHBondContact CE1-OG 3Å; H524-S647 PolarHBondContact NE2-OG 3.46Å
525	P	92.5	Very high	92.6	Very high	36 Å²	36	50.5 Å²	50.5	23%	0.234	28%	0.279	C	S	.	.			trans	-75.3	73.5	178.6	31.8	-36	0	0	0	111.3	I491 S501 I503	I491-P525 HydrophobicContact CB-CB 4.46Å; I491-P525 HydrophobicContact CD1-CB 3.95Å; I491-P525 HydrophobicContact CG1-CB 3.81Å; I491-P525 HydrophobicContact CG2-CB 3.82Å; S501-P525 WeakPolarHBondContact O-CG 3.45Å; I503-P525 PolarHBondContact N-O 3.16Å
526	V	95.1	Very high	92.5	Very high	9 Å²	9	54.3 Å²	54.3	6%	0.055	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	135.3	-177.6	-179.4	0	0	0	0	111.4	I503 V505 A516 L519 Q520 H524	I503-V526 HydrophobicContact CB-CG2 4.36Å; I503-V526 CarbonylContact O-C 3.5Å; I503-V526 WeakPolarHBondContact O-CA 3.21Å; V505-V526 HydrophobicContact CG2-CG1 3.86Å; A516-V526 HydrophobicContact CB-CG1 4.31Å; L519-V526 HydrophobicContact CB-CG2 3.51Å; L519-V526 HydrophobicContact CD1-CG2 4.11Å; L519-V526 HydrophobicContact CG-CG2 4.46Å; Q520-V526 HydrophobicContact CG-CB 4.31Å; Q520-V526 HydrophobicContact CG-CG2 4.45Å; H524-V526 HydrophobicContact CB-CG2 4.12Å; H524-V526 PolarHBondContact O-N 3.42Å
527	V	95.6	Very high	92.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.7	162.7	-170.8	0	0	0	0	108.7	V484 Q487 L488 I491 L502 I503 V505 T529 V538	V484-V527 HydrophobicContact CG1-CG1 3.97Å; Q487-V527 HydrophobicContact CB-CG2 4.33Å; L488-V527 HydrophobicContact CD2-CG2 4.14Å; L488-V527 HydrophobicContact CG-CG2 4.39Å; I491-V527 HydrophobicContact CD1-CG2 3.55Å; L502-V527 HydrophobicContact CD1-CG2 4.07Å; L502-V527 HydrophobicContact CD2-CG2 4.36Å; L502-V527 HydrophobicContact CG-CG2 4.26Å; I503-V527 PolarHBondContact O-N 3.33Å; V505-V527 PolarHBondContact N-O 3.11Å; V527-T529 HydrophobicContact CG1-CG2 4.48Å; V527-V538 HydrophobicContact CB-CG2 4.39Å; V527-V538 HydrophobicContact CG1-CG2 3.68Å
528	C	94.9	Very high	92.4	Very high	31 Å²	31	48.5 Å²	48.5	21%	0.209	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	135.7	175.7	-57	0	0	0	0	109.5	V484 A516	V484-C528 WeakPolarHBondContact CG2-O 3.11Å; A516-C528 VanDerWaalsContact CB-SG 3.51Å
529	T	95.2	Very high	92.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.7	177.4	61.5	0	0	0	0	110.5	L504 V505 G507 V527 E534 I535 V538 Y570	L504-T529 HydrophobicContact CD1-CG2 3.51Å; V505-T529 PolarHBondContact O-N 3.11Å; G507-T529 PolarHBondContact N-O 2.91Å; V527-T529 HydrophobicContact CG1-CG2 4.48Å; T529-E534 HydrophobicContact CG2-CB 3.79Å; T529-I535 HydrophobicContact CG2-CG1 4.38Å; T529-V538 HydrophobicContact CG2-CG2 4.02Å; T529-Y570 WeakPolarHBondContact OG1-CE2 3.37Å; T529-Y570 PolarHBondContact OG1-OH 3.39Å
530	C	92.9	Very high	92.3	Very high	60 Å²	60	48.1 Å²	48.1	41%	0.405	27%	0.274	S	S	.	.	S	Bend	trans	-109.2	-3.4	179.3	-59.5	0	0	0	0	112.5	G507 T508 E534	G507-C530 VanDerWaalsContact C-SG 3.55Å; T508-C530 HydrophobicContact CG2-CB 4.26Å; T508-C530 WeakPolarHBondContact CG2-O 3.33Å; C530-E534 PolarHBondContact N-OE2 3.12Å
531	S	91.8	Very high	92.5	Very high	38 Å²	38	44.8 Å²	44.8	27%	0.266	26%	0.263	S	S	.	.	S	Bend	trans	-142.8	154.6	-177.4	68.2	0	0	0	0	113.4	A533 E534 I535	S531-A533 PolarHBondContact O-N 2.92Å; S531-E534 PolarHBondContact N-OE2 2.86Å; S531-E534 PolarHBondContact O-N 3.47Å; S531-E534 VanDerWaalsContact O-N 3.13Å; S531-E534 WeakPolarHBondContact OG-CG 3.48Å; S531-E534 PolarHBondContact OG-N 3.45Å; S531-E534 PolarHBondContact OG-OE2 3.36Å; S531-I535 PolarHBondContact O-N 2.71Å
532	P	90	Very high	92.7	Very high	81 Å²	81	41.6 Å²	41.6	53%	0.526	23%	0.23	S	C	.	.	H	α-helix	trans	-56.6	-34.7	173.9	-26.9	35.8	0	0	0	113.6	E534 I535 Q536 F577	P532-E534 VanDerWaalsContact C-N 3.29Å; P532-E534 PolarHBondContact O-N 2.98Å; P532-I535 PolarHBondContact O-N 2.93Å; P532-Q536 PolarHBondContact O-N 2.91Å; P532-F577 HydrophobicContact CB-CE2 3.74Å; P532-F577 HydrophobicContact CB-CZ 3.7Å; P532-F577 WeakPolarHBondContact O-CE2 3.37Å; P532-F577 WeakPolarHBondContact O-CZ 3.39Å
533	A	91.1	Very high	92.9	Very high	59 Å²	59	37.1 Å²	37.1	49%	0.488	21%	0.21	S	C	.	.	H	α-helix	trans	-64.5	-32.3	179	0	0	0	0	0	112.8	S531 A537	S531-A533 PolarHBondContact O-N 2.92Å; A533-A537 WeakPolarHBondContact O-CB 3.33Å; A533-A537 PolarHBondContact O-N 2.75Å
534	E	93.7	Very high	93	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-75.9	-38.7	176	-68.1	155.5	158.4	0	0	111.2	R481 V484 T529 C530 S531 P532 Q536 A537 V538	R481-E534 HydrophobicContact CG-CG 4.25Å; V484-E534 HydrophobicContact CG2-CB 4.33Å; V484-E534 HydrophobicContact CG2-CG 4.11Å; T529-E534 HydrophobicContact CG2-CB 3.79Å; C530-E534 PolarHBondContact N-OE2 3.12Å; S531-E534 PolarHBondContact N-OE2 2.86Å; S531-E534 PolarHBondContact O-N 3.47Å; S531-E534 VanDerWaalsContact O-N 3.13Å; S531-E534 WeakPolarHBondContact OG-CG 3.48Å; S531-E534 PolarHBondContact OG-N 3.45Å; S531-E534 PolarHBondContact OG-OE2 3.36Å; P532-E534 VanDerWaalsContact C-N 3.29Å; P532-E534 PolarHBondContact O-N 2.98Å; E534-Q536 VanDerWaalsContact C-N 3.29Å; E534-Q536 PolarHBondContact O-N 2.8Å; E534-A537 PolarHBondContact O-N 2.72Å; E534-V538 WeakPolarHBondContact O-CG2 3.25Å; E534-V538 PolarHBondContact O-N 3.41Å
535	I	94.1	Very high	93	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-58.4	-44.1	170.9	-59	172	0	0	0	110.1	T529 S531 P532 V538 L539 Y570 A573 I574 F577	T529-I535 HydrophobicContact CG2-CG1 4.38Å; S531-I535 PolarHBondContact O-N 2.71Å; P532-I535 PolarHBondContact O-N 2.93Å; I535-V538 PolarHBondContact O-N 3.14Å; I535-L539 HydrophobicContact CG2-CD1 3.93Å; I535-L539 WeakPolarHBondContact O-CG 3.4Å; I535-L539 PolarHBondContact O-N 2.99Å; I535-Y570 HydrophobicContact CD1-CD2 3.97Å; I535-Y570 HydrophobicContact CD1-CE2 3.61Å; I535-Y570 HydrophobicContact CG1-CE2 4.11Å; I535-A573 HydrophobicContact CD1-CB 3.82Å; I535-I574 HydrophobicContact CG2-CG1 3.76Å; I535-F577 HydrophobicContact CB-CD2 4.02Å; I535-F577 HydrophobicContact CB-CE2 4.15Å; I535-F577 HydrophobicContact CG2-CD2 3.68Å; I535-F577 HydrophobicContact CG2-CE2 4.29Å
536	Q	92.5	Very high	92.9	Very high	80 Å²	80	26.9 Å²	26.9	37%	0.374	17%	0.173	S	C	.	.	H	α-helix	trans	-61.1	-44.2	175.2	-169	178.8	-3.7	0	0	112	P532 E534 S540 F577	P532-Q536 PolarHBondContact O-N 2.91Å; E534-Q536 VanDerWaalsContact C-N 3.29Å; E534-Q536 PolarHBondContact O-N 2.8Å; Q536-S540 WeakPolarHBondContact O-CB 3.37Å; Q536-S540 PolarHBondContact O-N 3.06Å; Q536-S540 PolarHBondContact O-OG 3.15Å; Q536-F577 HydrophobicContact CB-CD1 3.69Å; Q536-F577 HydrophobicContact CB-CD2 4.47Å; Q536-F577 HydrophobicContact CB-CE1 3.61Å; Q536-F577 HydrophobicContact CB-CE2 4.41Å; Q536-F577 HydrophobicContact CB-CG 4.14Å; Q536-F577 HydrophobicContact CB-CZ 3.99Å; Q536-F577 HydrophobicContact CG-CD1 3.7Å; Q536-F577 HydrophobicContact CG-CE1 3.82Å; Q536-F577 HydrophobicContact CG-CG 4.47Å
537	A	92.2	Very high	92.6	Very high	20 Å²	20	30.4 Å²	30.4	17%	0.165	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-45.8	177.8	0	0	0	0	0	111.9	A533 E534 S540 A541	A533-A537 WeakPolarHBondContact O-CB 3.33Å; A533-A537 PolarHBondContact O-N 2.75Å; E534-A537 PolarHBondContact O-N 2.72Å; A537-S540 PolarHBondContact O-N 3.4Å; A537-A541 WeakPolarHBondContact O-CB 3.35Å; A537-A541 PolarHBondContact O-N 3.13Å
538	V	94.1	Very high	92.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-54	176.5	170.2	0	0	0	0	111.4	V484 L488 L502 L504 V527 T529 E534 I535 S540 A541 V542	V484-V538 HydrophobicContact CG1-CG2 3.92Å; L488-V538 HydrophobicContact CD1-CG2 4.05Å; L488-V538 HydrophobicContact CD2-CB 4.46Å; L488-V538 HydrophobicContact CD2-CG1 4.25Å; L488-V538 HydrophobicContact CD2-CG2 4.21Å; L488-V538 HydrophobicContact CG-CG2 4.4Å; L502-V538 HydrophobicContact CD1-CG1 4.49Å; L502-V538 HydrophobicContact CD2-CG1 3.86Å; L504-V538 HydrophobicContact CD1-CB 4.48Å; L504-V538 HydrophobicContact CD1-CG1 4.18Å; L504-V538 HydrophobicContact CD1-CG2 4.35Å; L504-V538 HydrophobicContact CD2-CG1 4.2Å; V527-V538 HydrophobicContact CB-CG2 4.39Å; V527-V538 HydrophobicContact CG1-CG2 3.68Å; T529-V538 HydrophobicContact CG2-CG2 4.02Å; E534-V538 WeakPolarHBondContact O-CG2 3.25Å; E534-V538 PolarHBondContact O-N 3.41Å; I535-V538 PolarHBondContact O-N 3.14Å; V538-S540 VanDerWaalsContact C-N 3.3Å; V538-S540 PolarHBondContact O-N 2.8Å; V538-A541 PolarHBondContact O-N 2.86Å; V538-V542 WeakPolarHBondContact O-CG2 3.31Å; V538-V542 PolarHBondContact O-N 2.99Å
539	L	93.8	Very high	92	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-64.8	-36.3	-178.2	-68.2	171.7	0	0	0	111.7	I535 V542 L543 V562 I574 F577 M593 F595	I535-L539 HydrophobicContact CG2-CD1 3.93Å; I535-L539 WeakPolarHBondContact O-CG 3.4Å; I535-L539 PolarHBondContact O-N 2.99Å; L539-V542 PolarHBondContact O-N 2.79Å; L539-L543 WeakPolarHBondContact O-CB 3.34Å; L539-L543 VanDerWaalsContact O-CG 3.3Å; L539-L543 WeakPolarHBondContact O-CG 3.47Å; L539-L543 PolarHBondContact O-N 3.17Å; L539-V562 HydrophobicContact CD2-CG1 4.45Å; L539-I574 HydrophobicContact CD1-CG2 4.41Å; L539-F577 HydrophobicContact CD1-CB 3.66Å; L539-M593 HydrophobicContact CD2-CE 4.36Å; L539-F595 HydrophobicContact CD2-CE1 4.43Å
540	S	92.8	Very high	91.6	Very high	32 Å²	32	35.8 Å²	35.8	22%	0.224	21%	0.213	C	C	.	.	H	α-helix	trans	-66.9	-38.9	175	-57.2	0	0	0	0	112.4	Q536 A537 V538 T544 Q581	Q536-S540 WeakPolarHBondContact O-CB 3.37Å; Q536-S540 PolarHBondContact O-N 3.06Å; Q536-S540 PolarHBondContact O-OG 3.15Å; A537-S540 PolarHBondContact O-N 3.4Å; V538-S540 VanDerWaalsContact C-N 3.3Å; V538-S540 PolarHBondContact O-N 2.8Å; S540-T544 VanDerWaalsContact O-CB 3.3Å; S540-T544 WeakPolarHBondContact O-CB 3.24Å; S540-T544 PolarHBondContact O-N 3.3Å; S540-T544 PolarHBondContact O-OG1 3.35Å; S540-Q581 PolarHBondContact OG-NE2 2.9Å
541	A	92.9	Very high	91.3	Very high	26 Å²	26	38.7 Å²	38.7	22%	0.215	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-43.9	174.8	0	0	0	0	0	111.6	L488 L492 A537 V538 T544 R545	L488-A541 HydrophobicContact CD1-CB 4.02Å; L488-A541 HydrophobicContact CD2-CB 4.25Å; L492-A541 HydrophobicContact CD1-CB 4.09Å; A537-A541 WeakPolarHBondContact O-CB 3.35Å; A537-A541 PolarHBondContact O-N 3.13Å; V538-A541 PolarHBondContact O-N 2.86Å; A541-T544 PolarHBondContact O-N 3.34Å; A541-R545 PolarHBondContact O-N 2.95Å
542	V	92.7	Very high	90.9	Very high	2 Å²	2	41 Å²	41	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-43	176.8	-179.9	0	0	0	0	111.6	L502 V538 L539 T544 R545 I546 V560 M593	L502-V542 HydrophobicContact CD1-CG2 3.97Å; V538-V542 WeakPolarHBondContact O-CG2 3.31Å; V538-V542 PolarHBondContact O-N 2.99Å; L539-V542 PolarHBondContact O-N 2.79Å; V542-T544 VanDerWaalsContact C-N 3.35Å; V542-T544 PolarHBondContact O-N 3.39Å; V542-R545 WeakPolarHBondContact O-CA 3.35Å; V542-R545 VanDerWaalsContact O-CB 3.31Å; V542-R545 WeakPolarHBondContact O-CB 2.88Å; V542-R545 PolarHBondContact O-N 3.39Å; V542-R545 VanDerWaalsContact O-N 3.12Å; V542-I546 HydrophobicContact CG1-CD1 3.98Å; V542-I546 WeakPolarHBondContact O-CG1 3.15Å; V542-I546 PolarHBondContact O-N 2.97Å; V542-V560 HydrophobicContact CG1-CB 4.39Å; V542-V560 HydrophobicContact CG1-CG1 4.16Å; V542-M593 HydrophobicContact CB-CE 3.83Å; V542-M593 HydrophobicContact CG1-CE 3.54Å
543	L	92	Very high	90.3	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.063	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-41.6	173.7	-73.5	171.9	0	0	0	112.1	L539 R545 I546 Q547 Q581 L582 W589 M593	L539-L543 WeakPolarHBondContact O-CB 3.34Å; L539-L543 VanDerWaalsContact O-CG 3.3Å; L539-L543 WeakPolarHBondContact O-CG 3.47Å; L539-L543 PolarHBondContact O-N 3.17Å; L543-R545 VanDerWaalsContact C-N 3.28Å; L543-R545 PolarHBondContact O-N 3.33Å; L543-I546 PolarHBondContact O-N 3.39Å; L543-Q547 PolarHBondContact O-N 2.86Å; L543-Q581 HydrophobicContact CD1-CB 3.59Å; L543-Q581 HydrophobicContact CD1-CG 4.31Å; L543-L582 HydrophobicContact CD1-CD2 4.24Å; L543-L582 HydrophobicContact CD2-CD2 3.79Å; L543-W589 HydrophobicContact CD2-CE3 3.96Å; L543-W589 HydrophobicContact CD2-CZ3 4.2Å; L543-M593 HydrophobicContact CD2-CE 3.75Å; L543-M593 HydrophobicContact CD2-SD 4.06Å; L543-M593 HydrophobicContact CG-CE 3.72Å; L543-M593 HydrophobicContact CG-SD 4.49Å
544	T	91.4	Very high	89.3	Confident	75 Å²	75	39.8 Å²	39.8	46%	0.46	23%	0.225	S	C	.	.	H	α-helix	trans	-63.6	-35.3	174	-56.9	0	0	0	0	111.3	S540 A541 V542 Q547 K548	S540-T544 VanDerWaalsContact O-CB 3.3Å; S540-T544 WeakPolarHBondContact O-CB 3.24Å; S540-T544 PolarHBondContact O-N 3.3Å; S540-T544 PolarHBondContact O-OG1 3.35Å; A541-T544 PolarHBondContact O-N 3.34Å; V542-T544 VanDerWaalsContact C-N 3.35Å; V542-T544 PolarHBondContact O-N 3.39Å; T544-Q547 PolarHBondContact O-N 3.24Å; T544-K548 WeakPolarHBondContact O-CG 3.33Å; T544-K548 PolarHBondContact O-N 2.87Å
545	R	91.1	Very high	88.5	Confident	24 Å²	24	42.7 Å²	42.7	9%	0.091	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-47.8	174.2	-144.9	76.6	-175.8	111.3	-25.9	112.3	L492 S494 D495 L498 A541 V542 L543 Q547 K548 F549	L492-R545 HydrophobicContact CB-CG 4.46Å; L492-R545 HydrophobicContact CD2-CG 4.16Å; L492-R545 PolarHBondContact O-NE 2.88Å; L492-R545 PolarHBondContact O-NH2 3.22Å; S494-R545 PolarHBondContact O-NH2 3.09Å; D495-R545 IonicContact OD1-CZ 2.84Å; D495-R545 IonicContact OD1-NH1 2.7Å; D495-R545 PolarHBondContact OD1-NH1 3.2Å; D495-R545 IonicContact OD1-NH2 3.95Å; D495-R545 PolarHBondContact OD1-NH2 2.87Å; D495-R545 IonicContact OD2-NH1 3.55Å; L498-R545 HydrophobicContact CD2-CB 3.9Å; L498-R545 HydrophobicContact CD2-CG 3.69Å; A541-R545 PolarHBondContact O-N 2.95Å; V542-R545 WeakPolarHBondContact O-CA 3.35Å; V542-R545 VanDerWaalsContact O-CB 3.31Å; V542-R545 WeakPolarHBondContact O-CB 2.88Å; V542-R545 PolarHBondContact O-N 3.39Å; V542-R545 VanDerWaalsContact O-N 3.12Å; L543-R545 VanDerWaalsContact C-N 3.28Å; L543-R545 PolarHBondContact O-N 3.33Å; R545-Q547 VanDerWaalsContact C-N 3.29Å; R545-Q547 PolarHBondContact O-N 2.87Å; R545-K548 PolarHBondContact O-N 2.88Å; R545-F549 WeakPolarHBondContact O-CB 3.44Å; R545-F549 PolarHBondContact O-N 3.36Å
546	I	91.1	Very high	87.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.1	-44.4	175.3	-70.4	160.3	0	0	0	109.7	L498 V542 L543 F549 C550 P557 V560 W589 H592 M593	L498-I546 HydrophobicContact CD1-CG1 3.98Å; L498-I546 HydrophobicContact CD2-CG1 4.32Å; V542-I546 HydrophobicContact CG1-CD1 3.98Å; V542-I546 WeakPolarHBondContact O-CG1 3.15Å; V542-I546 PolarHBondContact O-N 2.97Å; L543-I546 PolarHBondContact O-N 3.39Å; I546-F549 PolarHBondContact O-N 3.08Å; I546-C550 PolarHBondContact O-N 2.81Å; I546-C550 PolarHBondContact O-SG 2.68Å; I546-P557 HydrophobicContact CG2-CG 4.45Å; I546-V560 HydrophobicContact CD1-CG2 4.24Å; I546-V560 HydrophobicContact CG1-CG2 4.24Å; I546-W589 HydrophobicContact CG2-CZ3 4.18Å; I546-H592 HydrophobicContact CD1-CB 4.02Å; I546-H592 HydrophobicContact CG2-CB 3.73Å; I546-M593 HydrophobicContact CD1-CE 4.2Å; I546-M593 HydrophobicContact CD1-CG 4.06Å
547	Q	89.6	Confident	86.9	Confident	82 Å²	82	44.8 Å²	44.8	38%	0.383	26%	0.259	S	S	.	.	H	α-helix	trans	-60.2	-49	176.7	-160.7	164.1	-32	0	0	112.2	L543 T544 R545 F549 C550 N551 W589	L543-Q547 PolarHBondContact O-N 2.86Å; T544-Q547 PolarHBondContact O-N 3.24Å; R545-Q547 VanDerWaalsContact C-N 3.29Å; R545-Q547 PolarHBondContact O-N 2.87Å; Q547-F549 PolarHBondContact O-N 3.08Å; Q547-C550 PolarHBondContact O-N 3.4Å; Q547-N551 PolarHBondContact O-N 2.82Å; Q547-N551 PolarHBondContact O-ND2 3.21Å; Q547-N551 PolarHBondContact O-OD1 2.88Å; Q547-W589 HydrophobicContact CB-CH2 3.77Å; Q547-W589 HydrophobicContact CB-CZ3 4.47Å; Q547-W589 HydrophobicContact CG-CH2 3.88Å; Q547-W589 HydrophobicContact CG-CZ2 4.46Å
548	K	89.2	Confident	86.6	Confident	87 Å²	87	54.7 Å²	54.7	38%	0.378	29%	0.292	S	S	.	.	H	α-helix	trans	-58.9	-45.6	175.4	-78.3	175.6	151.9	-136.6	0	112	D495 T544 R545 C550 N551 C552	D495-K548 IonicContact OD1-NZ 3.19Å; D495-K548 PolarHBondContact OD1-NZ 2.99Å; D495-K548 WeakPolarHBondContact OD2-CD 3.49Å; D495-K548 WeakPolarHBondContact OD2-CE 3.31Å; D495-K548 IonicContact OD2-NZ 2.7Å; D495-K548 PolarHBondContact OD2-NZ 3.36Å; T544-K548 WeakPolarHBondContact O-CG 3.33Å; T544-K548 PolarHBondContact O-N 2.87Å; R545-K548 PolarHBondContact O-N 2.88Å; K548-C550 PolarHBondContact O-N 2.86Å; K548-N551 PolarHBondContact O-N 3.43Å; K548-C552 WeakPolarHBondContact O-CB 3.39Å; K548-C552 PolarHBondContact O-N 2.76Å; K548-C552 PolarHBondContact O-SG 2.86Å
549	F	88.1	Confident	86.5	Confident	23 Å²	23	56 Å²	56	10%	0.101	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-46.9	177.7	-179.1	-84.8	0	0	0	111.5	S496 L498 R545 I546 Q547 N551 C552 N553 P557	S496-F549 WeakPolarHBondContact O-CE2 3.43Å; L498-F549 HydrophobicContact CD1-CB 4.1Å; L498-F549 HydrophobicContact CD1-CD1 4.18Å; L498-F549 HydrophobicContact CD1-CD2 4.43Å; L498-F549 HydrophobicContact CD1-CG 3.97Å; L498-F549 HydrophobicContact CD2-CB 3.88Å; L498-F549 HydrophobicContact CD2-CG 4.37Å; L498-F549 HydrophobicContact CG-CB 3.87Å; L498-F549 HydrophobicContact CG-CD1 4.47Å; L498-F549 HydrophobicContact CG-CD2 3.87Å; L498-F549 HydrophobicContact CG-CG 3.8Å; R545-F549 WeakPolarHBondContact O-CB 3.44Å; R545-F549 PolarHBondContact O-N 3.36Å; I546-F549 PolarHBondContact O-N 3.08Å; Q547-F549 PolarHBondContact O-N 3.08Å; F549-N551 VanDerWaalsContact C-N 3.3Å; F549-N551 PolarHBondContact O-N 3.13Å; F549-C552 PolarHBondContact O-N 3.16Å; F549-C552 VanDerWaalsContact O-N 3.12Å; F549-N553 HydrophobicContact CD1-CB 4.26Å; F549-N553 VanDerWaalsContact CD2-ND2 3.34Å; F549-N553 WeakPolarHBondContact CD2-ND2 3.42Å; F549-N553 HydrophobicContact CE1-CB 3.83Å; F549-N553 HydrophobicContact CE2-CB 4.33Å; F549-N553 WeakPolarHBondContact CE2-ND2 3.31Å; F549-N553 HydrophobicContact CZ-CB 3.86Å; F549-N553 WeakPolarHBondContact O-CB 3.44Å; F549-N553 PolarHBondContact O-N 2.75Å; F549-N553 PolarHBondContact O-ND2 2.88Å; F549-P557 HydrophobicContact CD1-CB 3.73Å; F549-P557 HydrophobicContact CD1-CG 4.4Å; F549-P557 HydrophobicContact CE1-CB 3.86Å
550	C	86.9	Confident	86.5	Confident	36 Å²	36	56 Å²	56	24%	0.243	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-32.2	177.8	-61.5	0	0	0	0	112.9	I546 Q547 K548 C552	I546-C550 PolarHBondContact O-N 2.81Å; I546-C550 PolarHBondContact O-SG 2.68Å; Q547-C550 PolarHBondContact O-N 3.4Å; K548-C550 PolarHBondContact O-N 2.86Å; C550-C552 VanDerWaalsContact C-N 3.31Å
551	N	86.4	Confident	86.7	Confident	120 Å²	120	55.6 Å²	55.6	64%	0.642	30%	0.297	S	S	*	.	H	α-helix	trans	-72.1	-24.6	174.9	-68.2	-11.6	0	0	0	112.8	Q547 K548 F549	Q547-N551 PolarHBondContact O-N 2.82Å; Q547-N551 PolarHBondContact O-ND2 3.21Å; Q547-N551 PolarHBondContact O-OD1 2.88Å; K548-N551 PolarHBondContact O-N 3.43Å; F549-N551 VanDerWaalsContact C-N 3.3Å; F549-N551 PolarHBondContact O-N 3.13Å
552	C	83	Confident	86.9	Confident	87 Å²	87	54.4 Å²	54.4	59%	0.588	29%	0.287	S	S	*	.	H	α-helix	trans	-104.1	-14.2	-176.2	-68.4	0	0	0	0	114.6	K548 F549 C550	K548-C552 WeakPolarHBondContact O-CB 3.39Å; K548-C552 PolarHBondContact O-N 2.76Å; K548-C552 PolarHBondContact O-SG 2.86Å; F549-C552 PolarHBondContact O-N 3.16Å; F549-C552 VanDerWaalsContact O-N 3.12Å; C550-C552 VanDerWaalsContact C-N 3.31Å
553	N	77.3	Confident	87.2	Confident	46 Å²	46	54.3 Å²	54.3	25%	0.246	29%	0.286	C	S	.	.			trans	-132	135.4	-174.6	-59.4	-91.7	0	0	0	110.9	F549 S555	F549-N553 HydrophobicContact CD1-CB 4.26Å; F549-N553 VanDerWaalsContact CD2-ND2 3.34Å; F549-N553 WeakPolarHBondContact CD2-ND2 3.42Å; F549-N553 HydrophobicContact CE1-CB 3.83Å; F549-N553 HydrophobicContact CE2-CB 4.33Å; F549-N553 WeakPolarHBondContact CE2-ND2 3.31Å; F549-N553 HydrophobicContact CZ-CB 3.86Å; F549-N553 WeakPolarHBondContact O-CB 3.44Å; F549-N553 PolarHBondContact O-N 2.75Å; F549-N553 PolarHBondContact O-ND2 2.88Å; N553-S555 VanDerWaalsContact C-N 3.29Å
554	S	71.4	Confident	87.5	Confident	68 Å²	68	54 Å²	54	48%	0.476	29%	0.285	S	S	.	.	S	Bend	trans	-83.5	-1.9	175.4	53.1	0	0	0	0	114
555	S	75.3	Confident	87.8	Confident	69 Å²	69	50.4 Å²	50.4	48%	0.483	26%	0.263	S	S	.	.	S	Bend	trans	-88.7	137	170.6	48.2	0	0	0	0	110.7	N553	N553-S555 VanDerWaalsContact C-N 3.29Å
556	M	71	Confident	88.1	Confident	119 Å²	119	49.3 Å²	49.3	59%	0.586	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-58.6	130.6	170.2	-166.8	68.6	76.1	0	0	109.2	H592	M556-H592 PolarHBondContact SD-NE2 3.01Å
557	P	82.1	Confident	88.2	Confident	11 Å²	11	50 Å²	50	7%	0.071	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-59.8	144.2	176.4	25	-35.2	0	0	0	111.1	L498 I546 F549	L498-P557 HydrophobicContact CD1-CB 3.47Å; L498-P557 VanDerWaalsContact CD1-CB 3.47Å; I546-P557 HydrophobicContact CG2-CG 4.45Å; F549-P557 HydrophobicContact CD1-CB 3.73Å; F549-P557 HydrophobicContact CD1-CG 4.4Å; F549-P557 HydrophobicContact CE1-CB 3.86Å
558	R	86.2	Confident	88.4	Confident	228 Å²	228	46.6 Å²	46.6	86%	0.86	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-66.6	140.4	161.7	-70.5	-173.9	175	-163.2	-1.2	108.5	V560	R558-V560 PolarHBondContact O-N 2.99Å
559	A	91.5	Very high	88.6	Confident	27 Å²	27	45 Å²	45	22%	0.223	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-57.7	123	177.3	0	0	0	0	0	110.8	K561 N591 H592 R594	A559-K561 PolarHBondContact O-N 2.84Å; A559-N591 VanDerWaalsContact CB-O 3.31Å; A559-N591 WeakPolarHBondContact CB-O 3.19Å; A559-H592 WeakPolarHBondContact CA-O 3.5Å; A559-R594 HydrophobicContact CB-CB 4.31Å
560	V	95	Very high	89	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	124.9	177.1	-179.2	0	0	0	0	108.6	L498 P499 V542 I546 R558 V562 H592 R594	L498-V560 HydrophobicContact CB-CG2 4.16Å; L498-V560 HydrophobicContact CD1-CG2 4.08Å; P499-V560 HydrophobicContact CG-CG1 4.41Å; V542-V560 HydrophobicContact CG1-CB 4.39Å; V542-V560 HydrophobicContact CG1-CG1 4.16Å; I546-V560 HydrophobicContact CD1-CG2 4.24Å; I546-V560 HydrophobicContact CG1-CG2 4.24Å; R558-V560 PolarHBondContact O-N 2.99Å; V560-V562 PolarHBondContact O-N 3.38Å; V560-H592 PolarHBondContact N-O 3.23Å; V560-R594 PolarHBondContact O-N 3.13Å
561	K	96.8	Very high	89.5	Confident	25 Å²	25	42.7 Å²	42.7	11%	0.109	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	100.4	178.7	-60.7	169.9	-176.5	176	0	109.5	E500 S501 L502 A559 V563 R594 L596 I650	E500-K561 HydrophobicContact CG-CD 4.14Å; E500-K561 VanDerWaalsContact O-CB 3.31Å; E500-K561 WeakPolarHBondContact O-CB 3.33Å; E500-K561 WeakPolarHBondContact O-CG 3.44Å; E500-K561 PolarHBondContact O-N 3.14Å; E500-K561 IonicContact OE1-NZ 2.92Å; E500-K561 PolarHBondContact OE1-NZ 3.33Å; S501-K561 CarbonylContact C-O 3.43Å; S501-K561 WeakPolarHBondContact CA-O 3.43Å; S501-K561 WeakPolarHBondContact CB-O 3.37Å; L502-K561 PolarHBondContact N-O 3.35Å; A559-K561 PolarHBondContact O-N 2.84Å; K561-V563 PolarHBondContact O-N 3.05Å; K561-R594 CarbonylContact C-O 3.49Å; K561-R594 WeakPolarHBondContact CA-O 3.21Å; K561-L596 HydrophobicContact CB-CD1 4.19Å; K561-L596 HydrophobicContact CB-CG 4.47Å; K561-L596 HydrophobicContact CD-CD1 4.39Å; K561-I650 HydrophobicContact CD-CG2 4.09Å; K561-I650 PolarHBondContact NZ-O 2.88Å
562	V	97.6	Very high	89.9	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	104	175.4	-177.9	0	0	0	0	108	L502 L504 L539 V560 A564 R594 F595 L596	L502-V562 WeakPolarHBondContact O-CA 3.3Å; L504-V562 HydrophobicContact CB-CG1 4.44Å; L504-V562 HydrophobicContact CD2-CG1 4.23Å; L539-V562 HydrophobicContact CD2-CG1 4.45Å; V560-V562 PolarHBondContact O-N 3.38Å; V562-A564 PolarHBondContact O-N 2.94Å; V562-R594 PolarHBondContact N-O 3.03Å; V562-F595 HydrophobicContact CB-CD1 3.91Å; V562-F595 HydrophobicContact CB-CE1 3.94Å; V562-F595 HydrophobicContact CG1-CD1 4.01Å; V562-F595 HydrophobicContact CG1-CE1 3.87Å; V562-F595 HydrophobicContact CG2-CE1 4.48Å; V562-F595 CarbonylContact O-C 3.46Å; V562-F595 VanDerWaalsContact O-CA 3.28Å; V562-F595 WeakPolarHBondContact O-CA 3.31Å; V562-L596 PolarHBondContact O-N 3.01Å
563	V	98.5	Very high	90.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	111.1	-179.3	-167	0	0	0	0	108.6	L502 I503 L504 K561 V565 L596 V598 I646 I650	L502-V563 PolarHBondContact O-N 2.8Å; I503-V563 HydrophobicContact CB-CB 4.32Å; I503-V563 HydrophobicContact CG1-CB 4.22Å; I503-V563 HydrophobicContact CG1-CG2 4.08Å; I503-V563 HydrophobicContact CG2-CB 4.05Å; I503-V563 HydrophobicContact CG2-CG1 4.32Å; L504-V563 PolarHBondContact N-O 2.82Å; L504-V563 VanDerWaalsContact O-O 3.09Å; K561-V563 PolarHBondContact O-N 3.05Å; V563-V565 HydrophobicContact CG1-CG2 3.99Å; V563-L596 CarbonylContact C-O 3.53Å; V563-L596 WeakPolarHBondContact CA-O 3.38Å; V563-L596 HydrophobicContact CB-CB 4.33Å; V563-L596 HydrophobicContact CG1-CB 4.1Å; V563-L596 HydrophobicContact CG2-CB 4.19Å; V563-L596 HydrophobicContact CG2-CD1 4.18Å; V563-V598 HydrophobicContact CG1-CG2 3.61Å; V563-I646 HydrophobicContact CG1-CG2 4.48Å; V563-I650 HydrophobicContact CG2-CD1 3.94Å; V563-I650 HydrophobicContact CG2-CG1 3.74Å
564	A	98.1	Very high	91.5	Very high	4 Å²	4	32 Å²	32	3%	0.033	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	103.3	178.9	0	0	0	0	0	109.2	V562 L571 I574 L596 V598	V562-A564 PolarHBondContact O-N 2.94Å; A564-L571 HydrophobicContact CB-CD1 4.01Å; A564-I574 HydrophobicContact CB-CD1 3.63Å; A564-L596 PolarHBondContact N-O 3.26Å; A564-V598 PolarHBondContact O-N 3.43Å
565	V	98.2	Very high	92.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	105.4	-178.6	-174.6	0	0	0	0	109.2	I503 L504 V505 N506 V515 V563 Y570 V598 L600	I503-V565 HydrophobicContact CG2-CG2 3.57Å; L504-V565 PolarHBondContact O-N 2.8Å; V505-V565 HydrophobicContact CB-CB 4.33Å; V505-V565 HydrophobicContact CG1-CB 4.16Å; V505-V565 HydrophobicContact CG1-CG1 4.11Å; V505-V565 HydrophobicContact CG2-CB 4.04Å; V505-V565 HydrophobicContact CG2-CG2 4.13Å; N506-V565 PolarHBondContact N-O 3.32Å; V515-V565 HydrophobicContact CB-CG1 4.29Å; V515-V565 HydrophobicContact CG1-CG1 3.82Å; V563-V565 HydrophobicContact CG1-CG2 3.99Å; V565-Y570 WeakPolarHBondContact O-CE1 3.18Å; V565-V598 HydrophobicContact CB-CB 4.4Å; V565-V598 HydrophobicContact CG1-CB 4.41Å; V565-V598 HydrophobicContact CG1-CG1 4.13Å; V565-V598 HydrophobicContact CG2-CB 4.03Å; V565-V598 HydrophobicContact CG2-CG1 4.38Å; V565-V598 HydrophobicContact CG2-CG2 4.39Å; V565-L600 HydrophobicContact CG1-CD1 4.01Å; V565-L600 HydrophobicContact CG1-CD2 4.42Å; V565-L600 HydrophobicContact CG1-CG 4.26Å
566	G	96.2	Very high	93.7	Very high	2 Å²	2	29.1 Å²	29.1	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.5	-174.9	-175.6	0	0	0	0	0	114.7	V598 L600	G566-V598 PolarHBondContact N-O 3.01Å; G566-V598 VanDerWaalsContact N-O 3.14Å; G566-L600 PolarHBondContact O-N 3.38Å
567	G	94.3	Very high	94.8	Very high	15 Å²	15	24.7 Å²	24.7	16%	0.155	13%	0.127	C	C	.	.			trans	-78.8	173.7	171	0	0	0	0	0	113.3	S569 Y570 L571 L600	G567-S569 PolarHBondContact O-N 3.13Å; G567-S569 VanDerWaalsContact O-N 3.13Å; G567-Y570 WeakPolarHBondContact O-CB 3.23Å; G567-Y570 PolarHBondContact O-N 2.86Å; G567-L571 PolarHBondContact O-N 3.06Å; G567-L600 VanDerWaalsContact CA-O 3.31Å; G567-L600 WeakPolarHBondContact CA-O 3.46Å
568	Q	93.4	Very high	95.4	Very high	10 Å²	10	24.4 Å²	24.4	5%	0.047	13%	0.125	C	C	.	.	H	α-helix	trans	-55.1	-33.6	-179	-176.4	66.1	70.2	0	0	113.4	L571 G572 H603 D871	Q568-L571 PolarHBondContact O-N 2.98Å; Q568-G572 PolarHBondContact O-N 2.72Å; Q568-H603 PolarHBondContact OE1-CE1 2.86Å; Q568-H603 PolarHBondContact OE1-ND1 2.85Å; Q568-D871 CarbonylContact C-O 3.52Å; Q568-D871 HydrophobicContact CG-CB 4.08Å; Q568-D871 WeakPolarHBondContact CG-O 3.37Å
569	S	94.3	Very high	95.8	Very high	52 Å²	52	13.6 Å²	13.6	36%	0.364	8%	0.084	S	C	.	.	H	α-helix	trans	-67.4	-36.4	177.5	48.4	0	0	0	0	112.9	G567 G572 A573 D871	G567-S569 PolarHBondContact O-N 3.13Å; G567-S569 VanDerWaalsContact O-N 3.13Å; S569-G572 PolarHBondContact O-N 2.89Å; S569-A573 PolarHBondContact O-N 2.87Å; S569-D871 WeakPolarHBondContact CA-O 3.43Å; S569-D871 PolarHBondContact N-O 3.01Å
570	Y	96.4	Very high	95.8	Very high	8 Å²	8	16.2 Å²	16.2	3%	0.031	10%	0.097	C	C	.	.	H	α-helix	trans	-69.2	-41.8	175.8	-172.1	-112.4	0	0	0	111.2	L504 V505 N506 T529 I535 V565 G567 G572 A573 I574	L504-Y570 WeakPolarHBondContact CD1-OH 3.17Å; L504-Y570 HydrophobicContact CG-CE1 4.41Å; L504-Y570 VanDerWaalsContact CG-OH 3.27Å; L504-Y570 WeakPolarHBondContact CG-OH 3.49Å; V505-Y570 PolarHBondContact N-OH 2.91Å; V505-Y570 PolarHBondContact O-OH 3.3Å; N506-Y570 HydrophobicContact CB-CD1 3.97Å; N506-Y570 HydrophobicContact CB-CD2 3.57Å; N506-Y570 HydrophobicContact CB-CE1 4.09Å; N506-Y570 HydrophobicContact CB-CE2 3.72Å; N506-Y570 HydrophobicContact CB-CG 3.71Å; N506-Y570 PolarHBondContact N-OH 3.43Å; N506-Y570 WeakPolarHBondContact OD1-CD2 3.22Å; T529-Y570 WeakPolarHBondContact OG1-CE2 3.37Å; T529-Y570 PolarHBondContact OG1-OH 3.39Å; I535-Y570 HydrophobicContact CD1-CD2 3.97Å; I535-Y570 HydrophobicContact CD1-CE2 3.61Å; I535-Y570 HydrophobicContact CG1-CE2 4.11Å; V565-Y570 WeakPolarHBondContact O-CE1 3.18Å; G567-Y570 WeakPolarHBondContact O-CB 3.23Å; G567-Y570 PolarHBondContact O-N 2.86Å; Y570-G572 VanDerWaalsContact C-N 3.3Å; Y570-G572 PolarHBondContact O-N 3.34Å; Y570-A573 PolarHBondContact O-N 2.93Å; Y570-I574 HydrophobicContact CD1-CD1 3.82Å; Y570-I574 HydrophobicContact CE1-CD1 3.6Å; Y570-I574 WeakPolarHBondContact O-CG1 3.38Å; Y570-I574 PolarHBondContact O-N 3.31Å
571	L	96.7	Very high	95.5	Very high	3 Å²	3	19 Å²	19	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-62.9	-37.4	171.1	-173.2	64.2	0	0	0	111.8	A564 G567 Q568 I574 L575 V597 V605 I685 L894	A564-L571 HydrophobicContact CB-CD1 4.01Å; G567-L571 PolarHBondContact O-N 3.06Å; Q568-L571 PolarHBondContact O-N 2.98Å; L571-I574 PolarHBondContact O-N 2.94Å; L571-L575 WeakPolarHBondContact O-CB 3.49Å; L571-L575 PolarHBondContact O-N 2.74Å; L571-V597 HydrophobicContact CD1-CG2 4.03Å; L571-V597 HydrophobicContact CD2-CG1 4.1Å; L571-V597 HydrophobicContact CD2-CG2 3.78Å; L571-V605 HydrophobicContact CD2-CB 4.27Å; L571-V605 HydrophobicContact CD2-CG1 4.02Å; L571-V605 HydrophobicContact CD2-CG2 4.44Å; L571-I685 HydrophobicContact CD2-CD1 3.79Å; L571-I685 HydrophobicContact CG-CD1 4.16Å; L571-L894 HydrophobicContact CD1-CD2 4.38Å
572	G	95.6	Very high	95.2	Very high	9 Å²	9	17.8 Å²	17.8	9%	0.093	11%	0.105	C	C	.	.	H	α-helix	trans	-61.4	-41.7	173.2	0	0	0	0	0	113.2	Q568 S569 Y570 L575 Q576	Q568-G572 PolarHBondContact O-N 2.72Å; S569-G572 PolarHBondContact O-N 2.89Å; Y570-G572 VanDerWaalsContact C-N 3.3Å; Y570-G572 PolarHBondContact O-N 3.34Å; G572-L575 WeakPolarHBondContact O-CB 3.32Å; G572-L575 PolarHBondContact O-N 2.89Å; G572-Q576 PolarHBondContact O-N 2.86Å
573	A	95.9	Very high	94.8	Very high	19 Å²	19	19 Å²	19	16%	0.157	12%	0.115	C	C	.	.	H	α-helix	trans	-64.6	-45	174.1	0	0	0	0	0	112	I535 S569 Y570 L575 Q576 F577	I535-A573 HydrophobicContact CD1-CB 3.82Å; S569-A573 PolarHBondContact O-N 2.87Å; Y570-A573 PolarHBondContact O-N 2.93Å; A573-L575 VanDerWaalsContact C-N 3.34Å; A573-L575 PolarHBondContact O-N 3.14Å; A573-Q576 PolarHBondContact O-N 3.45Å; A573-F577 WeakPolarHBondContact O-CD2 3.45Å; A573-F577 PolarHBondContact O-N 2.91Å
574	I	97.4	Very high	94.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.1	-44.6	174.9	-70.9	168	0	0	0	111	L504 I535 L539 A564 Y570 L571 Q576 F577 F578 F595	L504-I574 HydrophobicContact CD2-CD1 3.84Å; L504-I574 HydrophobicContact CD2-CG1 4.05Å; L504-I574 HydrophobicContact CG-CD1 4.17Å; I535-I574 HydrophobicContact CG2-CG1 3.76Å; L539-I574 HydrophobicContact CD1-CG2 4.41Å; A564-I574 HydrophobicContact CB-CD1 3.63Å; Y570-I574 HydrophobicContact CD1-CD1 3.82Å; Y570-I574 HydrophobicContact CE1-CD1 3.6Å; Y570-I574 WeakPolarHBondContact O-CG1 3.38Å; Y570-I574 PolarHBondContact O-N 3.31Å; L571-I574 PolarHBondContact O-N 2.94Å; I574-Q576 PolarHBondContact O-N 3.38Å; I574-F577 PolarHBondContact O-N 2.94Å; I574-F578 WeakPolarHBondContact O-CB 3.39Å; I574-F578 PolarHBondContact O-N 2.84Å; I574-F595 HydrophobicContact CG2-CD1 3.93Å; I574-F595 HydrophobicContact CG2-CE1 3.51Å; I574-F595 HydrophobicContact CG2-CZ 4.38Å
575	L	97.2	Very high	93.6	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.4	-46.4	175.2	172.1	68.8	0	0	0	111.7	L571 G572 A573 F577 F578 V579 I661 P683 I685 L894	L571-L575 WeakPolarHBondContact O-CB 3.49Å; L571-L575 PolarHBondContact O-N 2.74Å; G572-L575 WeakPolarHBondContact O-CB 3.32Å; G572-L575 PolarHBondContact O-N 2.89Å; A573-L575 VanDerWaalsContact C-N 3.34Å; A573-L575 PolarHBondContact O-N 3.14Å; L575-F577 VanDerWaalsContact C-N 3.3Å; L575-F577 PolarHBondContact O-N 3.16Å; L575-F578 PolarHBondContact O-N 2.7Å; L575-V579 HydrophobicContact CD1-CG2 3.81Å; L575-V579 HydrophobicContact CG-CG2 4.34Å; L575-V579 WeakPolarHBondContact O-CB 3.02Å; L575-V579 VanDerWaalsContact O-CG2 3.3Å; L575-V579 WeakPolarHBondContact O-CG2 3.39Å; L575-V579 PolarHBondContact O-N 3.2Å; L575-I661 HydrophobicContact CD1-CD1 3.7Å; L575-I661 HydrophobicContact CD1-CG1 3.92Å; L575-I661 HydrophobicContact CD1-CG2 4.27Å; L575-I661 HydrophobicContact CD2-CG2 4.48Å; L575-P683 HydrophobicContact CD2-CB 4.21Å; L575-P683 HydrophobicContact CG-CB 4.2Å; L575-P683 HydrophobicContact CG-CG 4.3Å; L575-I685 HydrophobicContact CD1-CG2 4.33Å; L575-I685 HydrophobicContact CD2-CB 4.36Å; L575-I685 HydrophobicContact CD2-CD1 4.38Å; L575-I685 HydrophobicContact CD2-CG1 4Å; L575-I685 HydrophobicContact CD2-CG2 3.78Å; L575-L894 HydrophobicContact CD1-CB 4.31Å; L575-L894 HydrophobicContact CD1-CD1 4.14Å; L575-L894 HydrophobicContact CD1-CD2 4.44Å
576	Q	95.3	Very high	93	Very high	78 Å²	78	32.4 Å²	32.4	36%	0.364	19%	0.186	S	C	.	.	H	α-helix	trans	-58.7	-41.8	-179.7	-171.5	177.3	5.7	0	0	111.9	G572 A573 I574 T580 P683	G572-Q576 PolarHBondContact O-N 2.86Å; A573-Q576 PolarHBondContact O-N 3.45Å; I574-Q576 PolarHBondContact O-N 3.38Å; Q576-T580 WeakPolarHBondContact O-CB 3.14Å; Q576-T580 PolarHBondContact O-N 3.41Å; Q576-T580 PolarHBondContact O-OG1 3.38Å; Q576-P683 HydrophobicContact CB-CG 4.25Å; Q576-P683 HydrophobicContact CG-CG 4.38Å
577	F	93.7	Very high	92.4	Very high	26 Å²	26	35.7 Å²	35.7	11%	0.114	21%	0.208	C	C	.	.	H	α-helix	trans	-74.9	-39.3	176	-67.7	-61.9	0	0	0	113.4	P532 I535 Q536 L539 A573 I574 L575 V579 T580 Q581	P532-F577 HydrophobicContact CB-CE2 3.74Å; P532-F577 HydrophobicContact CB-CZ 3.7Å; P532-F577 WeakPolarHBondContact O-CE2 3.37Å; P532-F577 WeakPolarHBondContact O-CZ 3.39Å; I535-F577 HydrophobicContact CB-CD2 4.02Å; I535-F577 HydrophobicContact CB-CE2 4.15Å; I535-F577 HydrophobicContact CG2-CD2 3.68Å; I535-F577 HydrophobicContact CG2-CE2 4.29Å; Q536-F577 HydrophobicContact CB-CD1 3.69Å; Q536-F577 HydrophobicContact CB-CD2 4.47Å; Q536-F577 HydrophobicContact CB-CE1 3.61Å; Q536-F577 HydrophobicContact CB-CE2 4.41Å; Q536-F577 HydrophobicContact CB-CG 4.14Å; Q536-F577 HydrophobicContact CB-CZ 3.99Å; Q536-F577 HydrophobicContact CG-CD1 3.7Å; Q536-F577 HydrophobicContact CG-CE1 3.82Å; Q536-F577 HydrophobicContact CG-CG 4.47Å; L539-F577 HydrophobicContact CD1-CB 3.66Å; A573-F577 WeakPolarHBondContact O-CD2 3.45Å; A573-F577 PolarHBondContact O-N 2.91Å; I574-F577 PolarHBondContact O-N 2.94Å; L575-F577 VanDerWaalsContact C-N 3.3Å; L575-F577 PolarHBondContact O-N 3.16Å; F577-V579 VanDerWaalsContact C-N 3.34Å; F577-V579 PolarHBondContact O-N 2.83Å; F577-T580 PolarHBondContact O-N 3.46Å; F577-Q581 VanDerWaalsContact O-CB 3.3Å; F577-Q581 WeakPolarHBondContact O-CB 3.35Å; F577-Q581 VanDerWaalsContact O-CG 3.25Å; F577-Q581 WeakPolarHBondContact O-CG 3.45Å; F577-Q581 PolarHBondContact O-N 3.4Å
578	F	95.5	Very high	91.9	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-56.2	-48.5	173.9	172.1	-104.5	0	0	0	111.4	I574 L575 L582 L590 M593 F595 V891 L894 P895	I574-F578 WeakPolarHBondContact O-CB 3.39Å; I574-F578 PolarHBondContact O-N 2.84Å; L575-F578 PolarHBondContact O-N 2.7Å; F578-L582 HydrophobicContact CD2-CD1 3.81Å; F578-L582 HydrophobicContact CD2-CG 4.48Å; F578-L582 HydrophobicContact CE2-CD1 3.32Å; F578-L582 HydrophobicContact CE2-CG 4.41Å; F578-L582 HydrophobicContact CZ-CD1 3.76Å; F578-L582 WeakPolarHBondContact O-CB 3.43Å; F578-L582 WeakPolarHBondContact O-CG 3.49Å; F578-L582 PolarHBondContact O-N 2.77Å; F578-L582 VanDerWaalsContact O-N 3.16Å; F578-L590 HydrophobicContact CE1-CD2 4.26Å; F578-L590 HydrophobicContact CZ-CD2 3.78Å; F578-M593 HydrophobicContact CD2-SD 4.34Å; F578-F595 HydrophobicContact CB-CZ 4.17Å; F578-F595 HydrophobicContact CD1-CE2 4.5Å; F578-F595 AromaticContact CD2-CE2 3.52Å; F578-F595 HydrophobicContact CD2-CE2 3.52Å; F578-F595 AromaticContact CD2-CZ 3.56Å; F578-F595 HydrophobicContact CD2-CZ 3.56Å; F578-F595 AromaticContact CE2-CE2 3.63Å; F578-F595 HydrophobicContact CE2-CE2 3.63Å; F578-F595 HydrophobicContact CE2-CZ 4.13Å; F578-F595 AromaticContact CG-CE2 3.97Å; F578-F595 HydrophobicContact CG-CE2 3.97Å; F578-F595 AromaticContact CG-CZ 3.97Å; F578-F595 HydrophobicContact CG-CZ 3.97Å; F578-F595 HydrophobicContact CZ-CE2 4.19Å; F578-V891 HydrophobicContact CD1-CG1 4.13Å; F578-V891 HydrophobicContact CE1-CG1 3.7Å; F578-V891 HydrophobicContact CZ-CG1 4.5Å; F578-L894 HydrophobicContact CD1-CD1 3.56Å; F578-L894 HydrophobicContact CE1-CD1 3.8Å; F578-L894 HydrophobicContact CG-CD1 4.05Å; F578-L894 HydrophobicContact CZ-CD1 4.46Å; F578-P895 HydrophobicContact CZ-CG 4.19Å
579	V	94.6	Very high	91.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-45.5	178.1	171.5	0	0	0	0	111.7	L575 F577 A583 I661 P683 W887 V891	L575-V579 HydrophobicContact CD1-CG2 3.81Å; L575-V579 HydrophobicContact CG-CG2 4.34Å; L575-V579 WeakPolarHBondContact O-CB 3.02Å; L575-V579 VanDerWaalsContact O-CG2 3.3Å; L575-V579 WeakPolarHBondContact O-CG2 3.39Å; L575-V579 PolarHBondContact O-N 3.2Å; F577-V579 VanDerWaalsContact C-N 3.34Å; F577-V579 PolarHBondContact O-N 2.83Å; V579-A583 WeakPolarHBondContact O-CB 3.41Å; V579-A583 PolarHBondContact O-N 2.86Å; V579-I661 HydrophobicContact CG2-CD1 3.81Å; V579-I661 HydrophobicContact CG2-CG2 4.46Å; V579-P683 HydrophobicContact CB-CB 4.43Å; V579-P683 HydrophobicContact CB-CG 4.19Å; V579-P683 HydrophobicContact CG1-CB 4.35Å; V579-P683 HydrophobicContact CG1-CG 4.32Å; V579-P683 HydrophobicContact CG2-CB 4.06Å; V579-P683 HydrophobicContact CG2-CG 4.23Å; V579-W887 HydrophobicContact CG1-CD2 4.09Å; V579-W887 HydrophobicContact CG1-CG 4.39Å; V579-W887 HydrophobicContact CG1-CZ2 3.63Å; V579-V891 HydrophobicContact CG2-CG1 3.98Å
580	T	90.8	Very high	91.3	Very high	82 Å²	82	39 Å²	39	50%	0.503	22%	0.216	S	C	.	.	H	α-helix	trans	-65.2	-47.9	-179.3	-56.5	0	0	0	0	111.8	Q576 F577 L582 A583	Q576-T580 WeakPolarHBondContact O-CB 3.14Å; Q576-T580 PolarHBondContact O-N 3.41Å; Q576-T580 PolarHBondContact O-OG1 3.38Å; F577-T580 PolarHBondContact O-N 3.46Å; T580-L582 VanDerWaalsContact C-N 3.32Å; T580-L582 PolarHBondContact O-N 3.28Å; T580-A583 PolarHBondContact O-N 3.36Å
581	Q	88.9	Confident	90.9	Very high	60 Å²	60	43.7 Å²	43.7	28%	0.28	24%	0.241	S	C	.	.	H	α-helix	trans	-71.5	-24.6	-176	-66.5	-65	92.7	0	0	113.3	S540 L543 F577	S540-Q581 PolarHBondContact OG-NE2 2.9Å; L543-Q581 HydrophobicContact CD1-CB 3.59Å; L543-Q581 HydrophobicContact CD1-CG 4.31Å; F577-Q581 VanDerWaalsContact O-CB 3.3Å; F577-Q581 WeakPolarHBondContact O-CB 3.35Å; F577-Q581 VanDerWaalsContact O-CG 3.25Å; F577-Q581 WeakPolarHBondContact O-CG 3.45Å; F577-Q581 PolarHBondContact O-N 3.4Å
582	L	91.7	Very high	90.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-97.3	-13.5	177	-64.4	-170.4	0	0	0	114.5	L543 F578 T580 N584 K585 W589 L590 H890 V891	L543-L582 HydrophobicContact CD1-CD2 4.24Å; L543-L582 HydrophobicContact CD2-CD2 3.79Å; F578-L582 HydrophobicContact CD2-CD1 3.81Å; F578-L582 HydrophobicContact CD2-CG 4.48Å; F578-L582 HydrophobicContact CE2-CD1 3.32Å; F578-L582 HydrophobicContact CE2-CG 4.41Å; F578-L582 HydrophobicContact CZ-CD1 3.76Å; F578-L582 WeakPolarHBondContact O-CB 3.43Å; F578-L582 WeakPolarHBondContact O-CG 3.49Å; F578-L582 PolarHBondContact O-N 2.77Å; F578-L582 VanDerWaalsContact O-N 3.16Å; T580-L582 VanDerWaalsContact C-N 3.32Å; T580-L582 PolarHBondContact O-N 3.28Å; L582-N584 PolarHBondContact O-N 3.5Å; L582-K585 HydrophobicContact CD2-CB 4.23Å; L582-K585 HydrophobicContact CD2-CG 3.88Å; L582-K585 WeakPolarHBondContact O-CB 3.14Å; L582-K585 PolarHBondContact O-N 3.32Å; L582-W589 HydrophobicContact CD1-CB 4.45Å; L582-W589 HydrophobicContact CD2-CB 3.81Å; L582-W589 HydrophobicContact CD2-CE3 4.39Å; L582-W589 HydrophobicContact CD2-CG 4.45Å; L582-L590 HydrophobicContact CD1-CD2 3.84Å; L582-H890 PolarHBondContact O-CE1 3.43Å; L582-H890 PolarHBondContact O-NE2 3.46Å; L582-V891 HydrophobicContact CB-CG2 3.92Å
583	A	88.4	Confident	90.6	Very high	26 Å²	26	43.9 Å²	43.9	22%	0.215	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-38	179.9	0	0	0	0	0	113.8	V579 T580 T889 H890	V579-A583 WeakPolarHBondContact O-CB 3.41Å; V579-A583 PolarHBondContact O-N 2.86Å; T580-A583 PolarHBondContact O-N 3.36Å; A583-T889 HydrophobicContact CB-CG2 4.12Å; A583-H890 PolarHBondContact O-CE1 3.11Å
584	N	84.8	Confident	90.6	Very high	145 Å²	145	45.5 Å²	45.5	78%	0.775	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	23.7	-177.9	-59.3	1.4	0	0	0	113.1	L582	L582-N584 PolarHBondContact O-N 3.5Å
585	K	86.9	Confident	90.6	Very high	70 Å²	70	45.5 Å²	45.5	30%	0.304	24%	0.242	S	C	.	.	S	Bend	trans	-109.5	174.6	174.1	-63.1	-67.1	-172.8	170.4	0	110.6	L582 W589 H890	L582-K585 HydrophobicContact CD2-CB 4.23Å; L582-K585 HydrophobicContact CD2-CG 3.88Å; L582-K585 WeakPolarHBondContact O-CB 3.14Å; L582-K585 PolarHBondContact O-N 3.32Å; K585-W589 HydrophobicContact CB-CB 4.21Å; K585-W589 HydrophobicContact CB-CD2 4.32Å; K585-W589 HydrophobicContact CB-CG 3.85Å; K585-W589 HydrophobicContact CD-CD2 4.19Å; K585-W589 HydrophobicContact CD-CZ2 4.26Å; K585-W589 HydrophobicContact CG-CD2 4.28Å; K585-W589 HydrophobicContact CG-CG 4.3Å; K585-H890 PolarHBondContact O-CE1 3.05Å
586	T	85.6	Confident	90.7	Very high	71 Å²	71	45.5 Å²	45.5	44%	0.436	24%	0.242	S	C	.	.			trans	-79.9	156.8	167.7	63.9	0	0	0	0	110.6	D588 W589	T586-D588 WeakPolarHBondContact CB-OD2 3.44Å; T586-D588 PolarHBondContact O-N 3.23Å; T586-D588 VanDerWaalsContact O-N 3.09Å; T586-D588 PolarHBondContact OG1-OD2 2.59Å; T586-W589 WeakPolarHBondContact O-CB 3.47Å; T586-W589 VanDerWaalsContact O-CD1 3.28Å; T586-W589 PolarHBondContact O-N 3.27Å; T586-W589 VanDerWaalsContact O-N 3.15Å
587	S	83.3	Confident	90.8	Very high	71 Å²	71	41.8 Å²	41.8	50%	0.497	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-58.3	-22.7	179.6	44.7	0	0	0	0	114	W589 L590	S587-W589 PolarHBondContact O-N 3.28Å; S587-L590 VanDerWaalsContact O-CB 3.31Å; S587-L590 WeakPolarHBondContact O-CB 3.29Å; S587-L590 WeakPolarHBondContact O-CG 3.4Å; S587-L590 PolarHBondContact O-N 2.95Å; S587-L590 VanDerWaalsContact O-N 3.15Å
588	D	83.8	Confident	91.1	Very high	81 Å²	81	40.6 Å²	40.6	43%	0.433	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-55.7	-34.5	176.4	-47	-68.4	0	0	0	112.4	T586 L590 N591	T586-D588 WeakPolarHBondContact CB-OD2 3.44Å; T586-D588 PolarHBondContact O-N 3.23Å; T586-D588 VanDerWaalsContact O-N 3.09Å; T586-D588 PolarHBondContact OG1-OD2 2.59Å; D588-L590 PolarHBondContact O-N 3.2Å; D588-N591 WeakPolarHBondContact O-CB 3.25Å; D588-N591 PolarHBondContact O-N 2.93Å; D588-N591 PolarHBondContact O-ND2 3.45Å
589	W	89.1	Confident	91.1	Very high	36 Å²	36	40.5 Å²	40.5	14%	0.136	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-62.8	-24.2	-178	-71.8	74	0	0	0	113.5	L543 I546 Q547 L582 K585 T586 S587 N591 H592	L543-W589 HydrophobicContact CD2-CE3 3.96Å; L543-W589 HydrophobicContact CD2-CZ3 4.2Å; I546-W589 HydrophobicContact CG2-CZ3 4.18Å; Q547-W589 HydrophobicContact CB-CH2 3.77Å; Q547-W589 HydrophobicContact CB-CZ3 4.47Å; Q547-W589 HydrophobicContact CG-CH2 3.88Å; Q547-W589 HydrophobicContact CG-CZ2 4.46Å; L582-W589 HydrophobicContact CD1-CB 4.45Å; L582-W589 HydrophobicContact CD2-CB 3.81Å; L582-W589 HydrophobicContact CD2-CE3 4.39Å; L582-W589 HydrophobicContact CD2-CG 4.45Å; K585-W589 HydrophobicContact CB-CB 4.21Å; K585-W589 HydrophobicContact CB-CD2 4.32Å; K585-W589 HydrophobicContact CB-CG 3.85Å; K585-W589 HydrophobicContact CD-CD2 4.19Å; K585-W589 HydrophobicContact CD-CZ2 4.26Å; K585-W589 HydrophobicContact CG-CD2 4.28Å; K585-W589 HydrophobicContact CG-CG 4.3Å; T586-W589 WeakPolarHBondContact O-CB 3.47Å; T586-W589 VanDerWaalsContact O-CD1 3.28Å; T586-W589 PolarHBondContact O-N 3.27Å; T586-W589 VanDerWaalsContact O-N 3.15Å; S587-W589 PolarHBondContact O-N 3.28Å; W589-N591 PolarHBondContact O-N 3.31Å; W589-H592 PolarHBondContact O-N 3.44Å; W589-H592 VanDerWaalsContact O-N 3.15Å
590	L	86.1	Confident	91.1	Very high	29 Å²	29	41.1 Å²	41.1	15%	0.152	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-61.5	-22.5	173.5	-58.7	173.6	0	0	0	112.2	F578 L582 S587 D588 V891	F578-L590 HydrophobicContact CE1-CD2 4.26Å; F578-L590 HydrophobicContact CZ-CD2 3.78Å; L582-L590 HydrophobicContact CD1-CD2 3.84Å; S587-L590 VanDerWaalsContact O-CB 3.31Å; S587-L590 WeakPolarHBondContact O-CB 3.29Å; S587-L590 WeakPolarHBondContact O-CG 3.4Å; S587-L590 PolarHBondContact O-N 2.95Å; S587-L590 VanDerWaalsContact O-N 3.15Å; D588-L590 PolarHBondContact O-N 3.2Å; L590-V891 HydrophobicContact CD2-CB 4.42Å; L590-V891 HydrophobicContact CD2-CG1 3.87Å; L590-V891 HydrophobicContact CD2-CG2 4.27Å
591	N	88.3	Confident	90.9	Very high	107 Å²	107	39.1 Å²	39.1	57%	0.572	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-89.3	-9	179.9	-56.5	-65.5	0	0	0	113.6	A559 D588 W589	A559-N591 VanDerWaalsContact CB-O 3.31Å; A559-N591 WeakPolarHBondContact CB-O 3.19Å; D588-N591 WeakPolarHBondContact O-CB 3.25Å; D588-N591 PolarHBondContact O-N 2.93Å; D588-N591 PolarHBondContact O-ND2 3.45Å; W589-N591 PolarHBondContact O-N 3.31Å
592	H	91.3	Very high	90.7	Very high	12 Å²	12	41.7 Å²	41.7	6%	0.056	24%	0.243	C	C	.	.	S	Bend	trans	-88.4	-8.4	-176.5	-58.4	155.4	0	0	0	114.1	I546 M556 A559 V560 W589	I546-H592 HydrophobicContact CD1-CB 4.02Å; I546-H592 HydrophobicContact CG2-CB 3.73Å; M556-H592 PolarHBondContact SD-NE2 3.01Å; A559-H592 WeakPolarHBondContact CA-O 3.5Å; V560-H592 PolarHBondContact N-O 3.23Å; W589-H592 PolarHBondContact O-N 3.44Å; W589-H592 VanDerWaalsContact O-N 3.15Å
593	M	94.1	Very high	90.8	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.02	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.4	175.7	-72.3	179.4	159.1	0	0	110.3	L539 V542 L543 I546 F578 F595 P895	L539-M593 HydrophobicContact CD2-CE 4.36Å; V542-M593 HydrophobicContact CB-CE 3.83Å; V542-M593 HydrophobicContact CG1-CE 3.54Å; L543-M593 HydrophobicContact CD2-CE 3.75Å; L543-M593 HydrophobicContact CD2-SD 4.06Å; L543-M593 HydrophobicContact CG-CE 3.72Å; L543-M593 HydrophobicContact CG-SD 4.49Å; I546-M593 HydrophobicContact CD1-CE 4.2Å; I546-M593 HydrophobicContact CD1-CG 4.06Å; F578-M593 HydrophobicContact CD2-SD 4.34Å; M593-F595 HydrophobicContact CB-CE2 4.31Å; M593-F595 HydrophobicContact SD-CZ 4.37Å; M593-P895 WeakPolarHBondContact O-CG 3.15Å
594	R	95.9	Very high	90.9	Very high	53 Å²	53	43 Å²	43	20%	0.2	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	125.1	169.8	-171.3	-177.4	-58.3	-166.2	2.6	109.1	A559 V560 K561 V562 S654 V655 T656 P895	A559-R594 HydrophobicContact CB-CB 4.31Å; V560-R594 PolarHBondContact O-N 3.13Å; K561-R594 CarbonylContact C-O 3.49Å; K561-R594 WeakPolarHBondContact CA-O 3.21Å; V562-R594 PolarHBondContact N-O 3.03Å; R594-S654 PolarHBondContact NH1-O 2.96Å; R594-V655 PolarHBondContact NH1-O 3.35Å; R594-T656 PolarHBondContact NE-OG1 2.93Å; R594-T656 PolarHBondContact NH2-OG1 3.42Å; R594-P895 CarbonylContact C-O 3.53Å; R594-P895 WeakPolarHBondContact CA-O 3.43Å
595	F	98.1	Very high	91.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.5	-177	-66.4	-86.5	0	0	0	111.3	L539 V562 I574 F578 M593 L894 P895 V896 G897	L539-F595 HydrophobicContact CD2-CE1 4.43Å; V562-F595 HydrophobicContact CB-CD1 3.91Å; V562-F595 HydrophobicContact CB-CE1 3.94Å; V562-F595 HydrophobicContact CG1-CD1 4.01Å; V562-F595 HydrophobicContact CG1-CE1 3.87Å; V562-F595 HydrophobicContact CG2-CE1 4.48Å; V562-F595 CarbonylContact O-C 3.46Å; V562-F595 VanDerWaalsContact O-CA 3.28Å; V562-F595 WeakPolarHBondContact O-CA 3.31Å; I574-F595 HydrophobicContact CG2-CD1 3.93Å; I574-F595 HydrophobicContact CG2-CE1 3.51Å; I574-F595 HydrophobicContact CG2-CZ 4.38Å; F578-F595 HydrophobicContact CB-CZ 4.17Å; F578-F595 HydrophobicContact CD1-CE2 4.5Å; F578-F595 AromaticContact CD2-CE2 3.52Å; F578-F595 HydrophobicContact CD2-CE2 3.52Å; F578-F595 AromaticContact CD2-CZ 3.56Å; F578-F595 HydrophobicContact CD2-CZ 3.56Å; F578-F595 AromaticContact CE2-CE2 3.63Å; F578-F595 HydrophobicContact CE2-CE2 3.63Å; F578-F595 HydrophobicContact CE2-CZ 4.13Å; F578-F595 AromaticContact CG-CE2 3.97Å; F578-F595 HydrophobicContact CG-CE2 3.97Å; F578-F595 AromaticContact CG-CZ 3.97Å; F578-F595 HydrophobicContact CG-CZ 3.97Å; F578-F595 HydrophobicContact CZ-CE2 4.19Å; M593-F595 HydrophobicContact CB-CE2 4.31Å; M593-F595 HydrophobicContact SD-CZ 4.37Å; F595-L894 HydrophobicContact CD2-CD1 3.47Å; F595-L894 VanDerWaalsContact CD2-CD1 3.47Å; F595-L894 HydrophobicContact CD2-CG 4Å; F595-L894 HydrophobicContact CE2-CD1 3.55Å; F595-L894 HydrophobicContact CG-CD1 4.11Å; F595-L894 HydrophobicContact CG-CG 4.47Å; F595-L894 HydrophobicContact CZ-CD1 4.25Å; F595-P895 HydrophobicContact CD2-CG 4.33Å; F595-P895 PolarHBondContact N-O 3.43Å; F595-V896 HydrophobicContact CB-CG2 4.38Å; F595-V896 CarbonylContact O-C 3.5Å; F595-V896 VanDerWaalsContact O-CA 3.25Å; F595-V896 WeakPolarHBondContact O-CA 3.33Å; F595-G897 PolarHBondContact O-N 3.18Å
596	L	98.4	Very high	91.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109.7	173.6	-58.2	-170	0	0	0	108.4	K561 V562 V563 A564 Y649 I650 T653	K561-L596 HydrophobicContact CB-CD1 4.19Å; K561-L596 HydrophobicContact CB-CG 4.47Å; K561-L596 HydrophobicContact CD-CD1 4.39Å; V562-L596 PolarHBondContact O-N 3.01Å; V563-L596 CarbonylContact C-O 3.53Å; V563-L596 WeakPolarHBondContact CA-O 3.38Å; V563-L596 HydrophobicContact CB-CB 4.33Å; V563-L596 HydrophobicContact CG1-CB 4.1Å; V563-L596 HydrophobicContact CG2-CB 4.19Å; V563-L596 HydrophobicContact CG2-CD1 4.18Å; A564-L596 PolarHBondContact N-O 3.26Å; L596-Y649 HydrophobicContact CB-CD1 4.14Å; L596-Y649 HydrophobicContact CB-CE1 3.61Å; L596-Y649 HydrophobicContact CD2-CE2 4.07Å; L596-Y649 HydrophobicContact CG-CE1 4.5Å; L596-I650 HydrophobicContact CD1-CB 4.46Å; L596-I650 HydrophobicContact CD1-CG1 4.12Å; L596-T653 HydrophobicContact CD2-CG2 3.91Å; L596-T653 WeakPolarHBondContact CD2-OG1 3.42Å
597	V	98.3	Very high	92.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115.7	-173.5	179.6	0	0	0	0	109.6	L571 H603 L609 Y616 Y649 V896	L571-V597 HydrophobicContact CD1-CG2 4.03Å; L571-V597 HydrophobicContact CD2-CG1 4.1Å; L571-V597 HydrophobicContact CD2-CG2 3.78Å; V597-H603 WeakPolarHBondContact CG1-NE2 3.48Å; V597-L609 HydrophobicContact CB-CD1 3.91Å; V597-L609 HydrophobicContact CG1-CD1 4.49Å; V597-L609 HydrophobicContact CG2-CD1 4.07Å; V597-Y616 VanDerWaalsContact O-CE2 3.23Å; V597-Y616 WeakPolarHBondContact O-CE2 3.41Å; V597-Y616 PolarHBondContact O-OH 3.42Å; V597-Y649 PolarHBondContact N-OH 3.02Å; V597-V896 HydrophobicContact CG2-CG1 4.27Å; V597-V896 HydrophobicContact CG2-CG2 4.4Å
598	V	98.3	Very high	92.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	106.7	175.1	175.7	0	0	0	0	108.1	V563 A564 V565 G566 F620 W625 I646 Y649	V563-V598 HydrophobicContact CG1-CG2 3.61Å; A564-V598 PolarHBondContact O-N 3.43Å; V565-V598 HydrophobicContact CB-CB 4.4Å; V565-V598 HydrophobicContact CG1-CB 4.41Å; V565-V598 HydrophobicContact CG1-CG1 4.13Å; V565-V598 HydrophobicContact CG2-CB 4.03Å; V565-V598 HydrophobicContact CG2-CG1 4.38Å; V565-V598 HydrophobicContact CG2-CG2 4.39Å; G566-V598 PolarHBondContact N-O 3.01Å; G566-V598 VanDerWaalsContact N-O 3.14Å; V598-F620 HydrophobicContact CG1-CD1 4.28Å; V598-F620 HydrophobicContact CG1-CE1 4.02Å; V598-F620 HydrophobicContact CG2-CE1 4.28Å; V598-F620 HydrophobicContact CG2-CZ 4.24Å; V598-W625 HydrophobicContact CG1-CH2 3.85Å; V598-W625 HydrophobicContact CG1-CZ2 3.59Å; V598-I646 HydrophobicContact CG1-CD1 4.11Å; V598-I646 HydrophobicContact CG1-CG1 4.13Å; V598-I646 HydrophobicContact CG2-CG1 4.28Å; V598-Y649 HydrophobicContact CG2-CD1 4Å; V598-Y649 HydrophobicContact CG2-CE1 4.19Å
599	P	96.8	Very high	93.3	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.019	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.5	-166.8	31.3	-34.7	0	0	0	112.7	H603 A606 F620 W625	P599-H603 HydrophobicContact CB-CB 3.74Å; P599-A606 HydrophobicContact CB-CB 3.64Å; P599-A606 HydrophobicContact CG-CB 3.78Å; P599-F620 HydrophobicContact CG-CB 3.79Å; P599-W625 PolarHBondContact O-NE1 2.79Å
600	L	94.5	Very high	93.6	Very high	13 Å²	13	29.4 Å²	29.4	7%	0.068	17%	0.166	C	C	.	.			trans	-106.4	120.6	165	-53.8	-176.3	0	0	0	108.4	Q511 V515 V565 G566 G567 W625 F629	Q511-L600 HydrophobicContact CB-CB 4.25Å; Q511-L600 HydrophobicContact CB-CD1 3.88Å; Q511-L600 HydrophobicContact CB-CG 4.47Å; V515-L600 HydrophobicContact CG2-CD2 4.13Å; V565-L600 HydrophobicContact CG1-CD1 4.01Å; V565-L600 HydrophobicContact CG1-CD2 4.42Å; V565-L600 HydrophobicContact CG1-CG 4.26Å; G566-L600 PolarHBondContact O-N 3.38Å; G567-L600 VanDerWaalsContact CA-O 3.31Å; G567-L600 WeakPolarHBondContact CA-O 3.46Å; L600-W625 HydrophobicContact CD2-CZ2 4.35Å; L600-F629 HydrophobicContact CD2-CD1 3.73Å; L600-F629 HydrophobicContact CD2-CD2 4.17Å; L600-F629 HydrophobicContact CD2-CE1 3.81Å; L600-F629 HydrophobicContact CD2-CE2 4.26Å; L600-F629 HydrophobicContact CD2-CG 3.91Å; L600-F629 HydrophobicContact CD2-CZ 4.09Å
601	G	86.9	Confident	93.9	Very high	40 Å²	40	31.3 Å²	31.3	41%	0.412	18%	0.181	S	C	.	.	S	Bend	trans	69.9	-154	-175.5	0	0	0	0	0	114.7	H603	G601-H603 PolarHBondContact O-N 2.94Å
602	S	84.8	Confident	94.1	Very high	114 Å²	114	28 Å²	28	80%	0.797	16%	0.163	S	C	*	.			trans	-75.4	114	-173.5	-171	0	0	0	0	112.3
603	H	92.5	Very high	94.3	Very high	14 Å²	14	27.5 Å²	27.5	7%	0.065	16%	0.161	C	C	.	.			trans	-134.7	95.3	-170.5	-160.5	-25.5	0	0	0	112.3	Q568 V597 P599 G601 V605 A606 K607	Q568-H603 PolarHBondContact OE1-CE1 2.86Å; Q568-H603 PolarHBondContact OE1-ND1 2.85Å; V597-H603 WeakPolarHBondContact CG1-NE2 3.48Å; P599-H603 HydrophobicContact CB-CB 3.74Å; G601-H603 PolarHBondContact O-N 2.94Å; H603-V605 PolarHBondContact O-N 3.41Å; H603-A606 HydrophobicContact CB-CB 3.9Å; H603-A606 PolarHBondContact O-N 3.2Å; H603-A606 VanDerWaalsContact O-N 3.12Å; H603-K607 PolarHBondContact O-N 2.9Å
604	P	91.7	Very high	94.3	Very high	41 Å²	41	32.1 Å²	32.1	27%	0.266	19%	0.186	S	C	.	.	H	α-helix	trans	-54.6	-42.3	-179.4	-30.3	36.3	0	0	0	114.9	K607 H608 V687 L800	P604-K607 PolarHBondContact O-N 2.88Å; P604-H608 PolarHBondContact O-N 3.47Å; P604-H608 VanDerWaalsContact O-N 3.12Å; P604-V687 HydrophobicContact CB-CG1 4.34Å; P604-V687 HydrophobicContact CG-CG2 4.11Å; P604-L800 HydrophobicContact CB-CD1 4.39Å; P604-L800 WeakPolarHBondContact O-CD1 3.44Å
605	V	94.9	Very high	94.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.1	-47.8	174.5	170	0	0	0	0	111.5	L571 H603 K607 H608 L609 L659 I685 L800	L571-V605 HydrophobicContact CD2-CB 4.27Å; L571-V605 HydrophobicContact CD2-CG1 4.02Å; L571-V605 HydrophobicContact CD2-CG2 4.44Å; H603-V605 PolarHBondContact O-N 3.41Å; V605-K607 VanDerWaalsContact C-N 3.31Å; V605-K607 PolarHBondContact O-N 2.72Å; V605-H608 WeakPolarHBondContact O-CA 3.27Å; V605-H608 WeakPolarHBondContact O-CB 3.4Å; V605-H608 PolarHBondContact O-N 3.18Å; V605-L609 HydrophobicContact CG1-CD1 4.04Å; V605-L609 HydrophobicContact CG1-CG 4.23Å; V605-L609 WeakPolarHBondContact O-CG 3.03Å; V605-L609 PolarHBondContact O-N 3.38Å; V605-L659 HydrophobicContact CG1-CD1 3.46Å; V605-L659 VanDerWaalsContact CG1-CD1 3.46Å; V605-I685 HydrophobicContact CG2-CD1 3.89Å; V605-I685 HydrophobicContact CG2-CG1 3.85Å; V605-L800 HydrophobicContact CB-CD1 4.5Å; V605-L800 HydrophobicContact CG2-CD1 4.06Å; V605-L800 HydrophobicContact CG2-CD2 4.31Å
606	A	95.4	Very high	94.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-38.7	178.4	0	0	0	0	0	112.3	P599 H603 H608 L609 G610 Y616 L621	P599-A606 HydrophobicContact CB-CB 3.64Å; P599-A606 HydrophobicContact CG-CB 3.78Å; H603-A606 HydrophobicContact CB-CB 3.9Å; H603-A606 PolarHBondContact O-N 3.2Å; H603-A606 VanDerWaalsContact O-N 3.12Å; A606-H608 VanDerWaalsContact C-N 3.27Å; A606-H608 PolarHBondContact O-N 3.35Å; A606-L609 PolarHBondContact O-N 2.84Å; A606-G610 PolarHBondContact O-N 2.84Å; A606-Y616 HydrophobicContact CB-CE1 4.13Å; A606-Y616 WeakPolarHBondContact CB-OH 3.4Å; A606-Y616 WeakPolarHBondContact O-CE1 3.47Å; A606-L621 HydrophobicContact CB-CD2 4.38Å
607	K	94.1	Very high	94.2	Very high	162 Å²	162	38.1 Å²	38.1	70%	0.704	21%	0.214	S	C	*	.	H	α-helix	trans	-58.7	-38.3	172.7	-174.3	177	179.4	178.5	0	112.2	H603 P604 V605 S611	H603-K607 PolarHBondContact O-N 2.9Å; P604-K607 PolarHBondContact O-N 2.88Å; V605-K607 VanDerWaalsContact C-N 3.31Å; V605-K607 PolarHBondContact O-N 2.72Å; K607-S611 PolarHBondContact O-N 2.88Å
608	H	93.8	Very high	94.1	Very high	20 Å²	20	42.1 Å²	42.1	9%	0.093	24%	0.242	C	C	.	.	H	α-helix	trans	-70.1	-44.6	173.6	178.3	53	0	0	0	112.2	P604 V605 A606 G610 S611 L612 L800	P604-H608 PolarHBondContact O-N 3.47Å; P604-H608 VanDerWaalsContact O-N 3.12Å; V605-H608 WeakPolarHBondContact O-CA 3.27Å; V605-H608 WeakPolarHBondContact O-CB 3.4Å; V605-H608 PolarHBondContact O-N 3.18Å; A606-H608 VanDerWaalsContact C-N 3.27Å; A606-H608 PolarHBondContact O-N 3.35Å; H608-G610 VanDerWaalsContact C-N 3.26Å; H608-G610 PolarHBondContact O-N 2.73Å; H608-S611 PolarHBondContact ND1-OG 3.48Å; H608-S611 WeakPolarHBondContact O-CA 3.48Å; H608-S611 WeakPolarHBondContact O-CB 3.39Å; H608-S611 PolarHBondContact O-N 2.9Å; H608-S611 PolarHBondContact O-OG 2.97Å; H608-L612 PolarHBondContact O-N 3.12Å; H608-L612 VanDerWaalsContact O-N 3.13Å; H608-L800 HydrophobicContact CB-CB 4.4Å; H608-L800 HydrophobicContact CB-CD1 3.9Å; H608-L800 HydrophobicContact CB-CD2 4.44Å; H608-L800 HydrophobicContact CB-CG 4.47Å
609	L	95.3	Very high	93.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57	-39.9	175.1	-63.8	174.6	0	0	0	111.7	V597 V605 A606 S611 L612 D613 Y616 L659 V896 L898	V597-L609 HydrophobicContact CB-CD1 3.91Å; V597-L609 HydrophobicContact CG1-CD1 4.49Å; V597-L609 HydrophobicContact CG2-CD1 4.07Å; V605-L609 HydrophobicContact CG1-CD1 4.04Å; V605-L609 HydrophobicContact CG1-CG 4.23Å; V605-L609 WeakPolarHBondContact O-CG 3.03Å; V605-L609 PolarHBondContact O-N 3.38Å; A606-L609 PolarHBondContact O-N 2.84Å; L609-S611 VanDerWaalsContact C-N 3.3Å; L609-S611 PolarHBondContact O-N 3.15Å; L609-L612 CarbonylContact O-C 3.51Å; L609-L612 WeakPolarHBondContact O-CB 3.48Å; L609-L612 PolarHBondContact O-N 3.14Å; L609-D613 PolarHBondContact O-N 3.1Å; L609-Y616 HydrophobicContact CB-CD1 3.8Å; L609-Y616 HydrophobicContact CB-CE1 3.61Å; L609-Y616 HydrophobicContact CB-CG 4.42Å; L609-Y616 HydrophobicContact CD1-CE1 4.37Å; L609-Y616 HydrophobicContact CD1-CE2 4.42Å; L609-L659 HydrophobicContact CD2-CD2 4.37Å; L609-V896 HydrophobicContact CD1-CG1 3.84Å; L609-V896 HydrophobicContact CD2-CG1 3.86Å; L609-L898 HydrophobicContact CB-CD2 4.17Å; L609-L898 HydrophobicContact CD2-CD2 4.06Å
610	G	95	Very high	93.9	Very high	6 Å²	6	42.8 Å²	42.8	6%	0.062	25%	0.247	C	C	.	.	H	α-helix	trans	-70.1	-19.5	173.9	0	0	0	0	0	115.3	A606 H608 S617	A606-G610 PolarHBondContact O-N 2.84Å; H608-G610 VanDerWaalsContact C-N 3.26Å; H608-G610 PolarHBondContact O-N 2.73Å; G610-S617 WeakPolarHBondContact O-CB 3.3Å
611	S	93.9	Very high	94	Very high	68 Å²	68	44.9 Å²	44.9	48%	0.476	26%	0.258	S	S	.	.	H	α-helix	trans	-79.5	-21.1	167.6	71.4	0	0	0	0	112.9	K607 H608 L609	K607-S611 PolarHBondContact O-N 2.88Å; H608-S611 PolarHBondContact ND1-OG 3.48Å; H608-S611 WeakPolarHBondContact O-CA 3.48Å; H608-S611 WeakPolarHBondContact O-CB 3.39Å; H608-S611 PolarHBondContact O-N 2.9Å; H608-S611 PolarHBondContact O-OG 2.97Å; L609-S611 VanDerWaalsContact C-N 3.3Å; L609-S611 PolarHBondContact O-N 3.15Å
612	L	92.8	Very high	94.3	Very high	37 Å²	37	45 Å²	45	19%	0.194	25%	0.249	C	C	.	.	H	α-helix	trans	-90.5	-25	175.5	-63.8	176.4	0	0	0	113	H608 L609 L898 Y901 S902	H608-L612 PolarHBondContact O-N 3.12Å; H608-L612 VanDerWaalsContact O-N 3.13Å; L609-L612 CarbonylContact O-C 3.51Å; L609-L612 WeakPolarHBondContact O-CB 3.48Å; L609-L612 PolarHBondContact O-N 3.14Å; L612-L898 HydrophobicContact CB-CD1 4.07Å; L612-L898 HydrophobicContact CD1-CD1 4.43Å; L612-Y901 HydrophobicContact CB-CD1 4.32Å; L612-Y901 CarbonylContact O-C 3.55Å; L612-Y901 VanDerWaalsContact O-CA 3.32Å; L612-Y901 WeakPolarHBondContact O-CA 3.36Å; L612-S902 PolarHBondContact O-N 3.5Å
613	D	95	Very high	94.7	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.011	22%	0.224	C	C	.	.			trans	-144.7	107	-172.3	-178.6	-22	0	0	0	110.9	L609 R615 Y616 S617 L898 F899 G900 S902	L609-D613 PolarHBondContact O-N 3.1Å; D613-R615 VanDerWaalsContact C-N 3.26Å; D613-R615 PolarHBondContact O-N 3.05Å; D613-R615 WeakPolarHBondContact OD1-CA 3.32Å; D613-R615 WeakPolarHBondContact OD1-CB 3.48Å; D613-R615 PolarHBondContact OD1-N 3.37Å; D613-Y616 WeakPolarHBondContact O-CB 3.44Å; D613-Y616 PolarHBondContact O-N 3.49Å; D613-Y616 PolarHBondContact OD1-N 3.13Å; D613-S617 PolarHBondContact O-N 2.91Å; D613-L898 HydrophobicContact CB-CB 4.5Å; D613-L898 HydrophobicContact CB-CD1 4.27Å; D613-L898 HydrophobicContact CB-CD2 3.89Å; D613-L898 HydrophobicContact CB-CG 4.45Å; D613-L898 WeakPolarHBondContact OD2-CB 3.3Å; D613-F899 WeakPolarHBondContact OD2-CA 3.39Å; D613-F899 VanDerWaalsContact OD2-CB 3.24Å; D613-F899 WeakPolarHBondContact OD2-CB 3.38Å; D613-F899 PolarHBondContact OD2-N 3.12Å; D613-G900 WeakPolarHBondContact CB-O 3.12Å; D613-G900 PolarHBondContact OD2-N 2.89Å; D613-S902 WeakPolarHBondContact CA-OG 3.04Å
614	N	94.6	Very high	94.7	Very high	102 Å²	102	42.4 Å²	42.4	55%	0.545	24%	0.24	S	C	.	.	H	α-helix	trans	-64.7	-27.7	-179.6	-70.2	-1.7	0	0	0	112.7	S617 S618 S902	N614-S617 WeakPolarHBondContact O-CB 3.41Å; N614-S617 PolarHBondContact O-N 2.86Å; N614-S618 PolarHBondContact O-N 3.2Å; N614-S618 PolarHBondContact O-OG 2.77Å; N614-S902 PolarHBondContact N-OG 2.65Å; N614-S902 PolarHBondContact OD1-OG 2.68Å
615	R	95.9	Very high	94.9	Very high	141 Å²	141	40.7 Å²	40.7	53%	0.532	23%	0.228	S	C	.	.	H	α-helix	trans	-72.4	-43.7	176.7	-63.2	-161.3	-73.2	168.4	-3.7	110.3	D613 S617 S618 S619 F899	D613-R615 VanDerWaalsContact C-N 3.26Å; D613-R615 PolarHBondContact O-N 3.05Å; D613-R615 WeakPolarHBondContact OD1-CA 3.32Å; D613-R615 WeakPolarHBondContact OD1-CB 3.48Å; D613-R615 PolarHBondContact OD1-N 3.37Å; R615-S617 VanDerWaalsContact C-N 3.28Å; R615-S617 PolarHBondContact O-N 3.3Å; R615-S618 PolarHBondContact O-N 2.85Å; R615-S619 WeakPolarHBondContact O-CB 3.3Å; R615-S619 PolarHBondContact O-N 3.42Å; R615-S619 PolarHBondContact O-OG 2.66Å; R615-F899 HydrophobicContact CB-CB 4.01Å; R615-F899 HydrophobicContact CB-CD2 3.91Å; R615-F899 HydrophobicContact CB-CE2 4.43Å; R615-F899 HydrophobicContact CB-CG 3.99Å; R615-F899 PolarHBondContact NH2-O 2.78Å
616	Y	97.3	Very high	94.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.9	-44.2	170.9	-177.8	-88.6	0	0	0	111.6	V597 A606 L609 D613 S619 F620 Y649	V597-Y616 VanDerWaalsContact O-CE2 3.23Å; V597-Y616 WeakPolarHBondContact O-CE2 3.41Å; V597-Y616 PolarHBondContact O-OH 3.42Å; A606-Y616 HydrophobicContact CB-CE1 4.13Å; A606-Y616 WeakPolarHBondContact CB-OH 3.4Å; A606-Y616 WeakPolarHBondContact O-CE1 3.47Å; L609-Y616 HydrophobicContact CB-CD1 3.8Å; L609-Y616 HydrophobicContact CB-CE1 3.61Å; L609-Y616 HydrophobicContact CB-CG 4.42Å; L609-Y616 HydrophobicContact CD1-CE1 4.37Å; L609-Y616 HydrophobicContact CD1-CE2 4.42Å; D613-Y616 WeakPolarHBondContact O-CB 3.44Å; D613-Y616 PolarHBondContact O-N 3.49Å; D613-Y616 PolarHBondContact OD1-N 3.13Å; Y616-S619 PolarHBondContact O-N 3.49Å; Y616-F620 AromaticContact CD2-CD2 3.7Å; Y616-F620 HydrophobicContact CD2-CD2 3.7Å; Y616-F620 HydrophobicContact CD2-CE2 4.07Å; Y616-F620 AromaticContact CE2-CD2 3.59Å; Y616-F620 HydrophobicContact CE2-CD2 3.59Å; Y616-F620 HydrophobicContact CE2-CE2 4.06Å; Y616-F620 HydrophobicContact CG-CD2 4.25Å; Y616-F620 PolarHBondContact O-N 3.48Å; Y616-Y649 HydrophobicContact CD2-CE1 4.17Å; Y616-Y649 AromaticContact CD2-CE2 3.95Å; Y616-Y649 HydrophobicContact CD2-CE2 3.95Å; Y616-Y649 AromaticContact CD2-CZ 3.72Å; Y616-Y649 AromaticContact CE2-CE1 3.77Å; Y616-Y649 HydrophobicContact CE2-CE1 3.77Å; Y616-Y649 HydrophobicContact CE2-CE2 4.32Å; Y616-Y649 AromaticContact CE2-CZ 3.61Å
617	S	96.2	Very high	94.5	Very high	37 Å²	37	51.2 Å²	51.2	26%	0.259	27%	0.273	S	S	.	.	H	α-helix	trans	-57.8	-50.4	176.1	-157.2	0	0	0	0	112.1	G610 D613 N614 R615 S619 F620 L621 D622	G610-S617 WeakPolarHBondContact O-CB 3.3Å; D613-S617 PolarHBondContact O-N 2.91Å; N614-S617 WeakPolarHBondContact O-CB 3.41Å; N614-S617 PolarHBondContact O-N 2.86Å; R615-S617 VanDerWaalsContact C-N 3.28Å; R615-S617 PolarHBondContact O-N 3.3Å; S617-S619 VanDerWaalsContact C-N 3.31Å; S617-S619 PolarHBondContact O-N 2.88Å; S617-F620 PolarHBondContact O-N 3.19Å; S617-L621 CarbonylContact O-C 3.57Å; S617-L621 WeakPolarHBondContact O-CA 3.02Å; S617-L621 WeakPolarHBondContact O-CB 3.41Å; S617-L621 PolarHBondContact O-N 2.83Å; S617-D622 PolarHBondContact O-N 2.84Å
618	S	95.5	Very high	94.3	Very high	84 Å²	84	44.7 Å²	44.7	59%	0.587	25%	0.247	S	C	*	.	H	α-helix	trans	-66.5	-26.6	176.5	-61.4	0	0	0	0	114.2	N614 R615	N614-S618 PolarHBondContact O-N 3.2Å; N614-S618 PolarHBondContact O-OG 2.77Å; R615-S618 PolarHBondContact O-N 2.85Å
619	S	95.8	Very high	94.2	Very high	15 Å²	15	43.9 Å²	43.9	11%	0.105	24%	0.243	C	C	.	.	H	α-helix	trans	-79.3	-30.5	177.6	-66.5	0	0	0	0	114.1	R615 Y616 S617 R645	R615-S619 WeakPolarHBondContact O-CB 3.3Å; R615-S619 PolarHBondContact O-N 3.42Å; R615-S619 PolarHBondContact O-OG 2.66Å; Y616-S619 PolarHBondContact O-N 3.49Å; S617-S619 VanDerWaalsContact C-N 3.31Å; S617-S619 PolarHBondContact O-N 2.88Å; S619-R645 WeakPolarHBondContact O-CD 3.39Å; S619-R645 PolarHBondContact O-NH1 2.97Å
620	F	96.9	Very high	93.9	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.013	27%	0.271	C	S	.	.	H	α-helix	trans	-138.2	-2.8	-166.7	-57.3	-64.4	0	0	0	116.1	V598 P599 Y616 S617 W625 R645 I646 Y649	V598-F620 HydrophobicContact CG1-CD1 4.28Å; V598-F620 HydrophobicContact CG1-CE1 4.02Å; V598-F620 HydrophobicContact CG2-CE1 4.28Å; V598-F620 HydrophobicContact CG2-CZ 4.24Å; P599-F620 HydrophobicContact CG-CB 3.79Å; Y616-F620 AromaticContact CD2-CD2 3.7Å; Y616-F620 HydrophobicContact CD2-CD2 3.7Å; Y616-F620 HydrophobicContact CD2-CE2 4.07Å; Y616-F620 AromaticContact CE2-CD2 3.59Å; Y616-F620 HydrophobicContact CE2-CD2 3.59Å; Y616-F620 HydrophobicContact CE2-CE2 4.06Å; Y616-F620 HydrophobicContact CG-CD2 4.25Å; Y616-F620 PolarHBondContact O-N 3.48Å; S617-F620 PolarHBondContact O-N 3.19Å; F620-W625 AromaticContact CD1-CD2 3.98Å; F620-W625 HydrophobicContact CD1-CD2 3.98Å; F620-W625 AromaticContact CD1-CE2 3.79Å; F620-W625 HydrophobicContact CD1-CE3 4.03Å; F620-W625 AromaticContact CD1-CH2 3.8Å; F620-W625 HydrophobicContact CD1-CH2 3.8Å; F620-W625 AromaticContact CD1-CZ2 3.73Å; F620-W625 HydrophobicContact CD1-CZ2 3.73Å; F620-W625 AromaticContact CD1-CZ3 3.94Å; F620-W625 HydrophobicContact CD1-CZ3 3.94Å; F620-W625 HydrophobicContact CE1-CE3 4.49Å; F620-W625 AromaticContact CE1-CH2 3.81Å; F620-W625 HydrophobicContact CE1-CH2 3.81Å; F620-W625 HydrophobicContact CE1-CZ2 4.16Å; F620-W625 AromaticContact CE1-CZ3 3.99Å; F620-W625 HydrophobicContact CE1-CZ3 3.99Å; F620-R645 HydrophobicContact CE1-CB 4.39Å; F620-I646 HydrophobicContact CE1-CG1 4.43Å; F620-Y649 AromaticContact CE2-CD1 3.4Å; F620-Y649 HydrophobicContact CE2-CD1 3.4Å; F620-Y649 VanDerWaalsContact CE2-CD1 3.4Å; F620-Y649 HydrophobicContact CE2-CD2 4.43Å; F620-Y649 AromaticContact CE2-CE1 3.96Å; F620-Y649 HydrophobicContact CE2-CE1 3.96Å; F620-Y649 AromaticContact CE2-CG 3.68Å; F620-Y649 HydrophobicContact CE2-CG 3.68Å; F620-Y649 AromaticContact CZ-CD1 3.6Å; F620-Y649 HydrophobicContact CZ-CD1 3.6Å; F620-Y649 HydrophobicContact CZ-CE1 4.44Å; F620-Y649 AromaticContact CZ-CG 3.97Å; F620-Y649 HydrophobicContact CZ-CG 3.97Å
621	L	94.9	Very high	93.4	Very high	56 Å²	56	54.7 Å²	54.7	29%	0.293	30%	0.295	S	S	.	.	S	Bend	trans	-127.2	9	178.9	-54.8	176.8	0	0	0	113	A606 S617	A606-L621 HydrophobicContact CB-CD2 4.38Å; S617-L621 CarbonylContact O-C 3.57Å; S617-L621 WeakPolarHBondContact O-CA 3.02Å; S617-L621 WeakPolarHBondContact O-CB 3.41Å; S617-L621 PolarHBondContact O-N 2.83Å
622	D	94.8	Very high	92.9	Very high	44 Å²	44	56.5 Å²	56.5	24%	0.235	31%	0.307	C	S	.	.	S	Bend	trans	-71	171.9	173.3	73.8	-33.9	0	0	0	111.8	S617 W625 R626 R645	S617-D622 PolarHBondContact O-N 2.84Å; D622-W625 WeakPolarHBondContact OD1-CB 3.43Å; D622-W625 PolarHBondContact OD1-N 3.36Å; D622-W625 VanDerWaalsContact OD1-N 3.08Å; D622-R626 WeakPolarHBondContact O-CB 3.31Å; D622-R626 PolarHBondContact O-N 3.36Å; D622-R645 VanDerWaalsContact CG-NH1 3.35Å; D622-R645 IonicContact OD1-CZ 2.66Å; D622-R645 IonicContact OD1-NH1 3.78Å; D622-R645 PolarHBondContact OD1-NH1 3.45Å; D622-R645 IonicContact OD1-NH2 2.66Å; D622-R645 IonicContact OD2-CZ 2.78Å; D622-R645 IonicContact OD2-NH1 2.7Å; D622-R645 PolarHBondContact OD2-NH1 2.86Å; D622-R645 IonicContact OD2-NH2 2.81Å; D622-R645 PolarHBondContact OD2-NH2 2.8Å
623	G	92.8	Very high	92.6	Very high	26 Å²	26	61 Å²	61	27%	0.268	33%	0.328	S	S	.	.	H	α-helix	trans	-55	-59	176	0	0	0	0	0	111.1	W625 R626 D627	G623-W625 PolarHBondContact O-N 2.98Å; G623-R626 PolarHBondContact O-N 2.8Å; G623-R626 VanDerWaalsContact O-N 3.07Å; G623-D627 VanDerWaalsContact C-OD2 3.31Å; G623-D627 WeakPolarHBondContact O-CB 3.19Å; G623-D627 PolarHBondContact O-N 2.95Å; G623-D627 VanDerWaalsContact O-OD2 3.12Å
624	A	92.9	Very high	92.2	Very high	47 Å²	47	64.5 Å²	64.5	39%	0.388	35%	0.35	S	S	.	.	H	α-helix	trans	-53.4	-42.5	-176.3	0	0	0	0	0	114.8	V628 L640	A624-V628 WeakPolarHBondContact O-CG2 3.44Å; A624-V628 PolarHBondContact O-N 3.22Å; A624-L640 HydrophobicContact CB-CD1 4.09Å
625	W	94.6	Very high	91.7	Very high	5 Å²	5	61.3 Å²	61.3	2%	0.019	34%	0.335	C	S	.	.	H	α-helix	trans	-67.3	-46.7	176.4	-171.1	-86.1	0	0	0	112.2	V598 P599 L600 F620 D622 G623 F629 L640 V642 R645 I646	V598-W625 HydrophobicContact CG1-CH2 3.85Å; V598-W625 HydrophobicContact CG1-CZ2 3.59Å; P599-W625 PolarHBondContact O-NE1 2.79Å; L600-W625 HydrophobicContact CD2-CZ2 4.35Å; F620-W625 AromaticContact CD1-CD2 3.98Å; F620-W625 HydrophobicContact CD1-CD2 3.98Å; F620-W625 AromaticContact CD1-CE2 3.79Å; F620-W625 HydrophobicContact CD1-CE3 4.03Å; F620-W625 AromaticContact CD1-CH2 3.8Å; F620-W625 HydrophobicContact CD1-CH2 3.8Å; F620-W625 AromaticContact CD1-CZ2 3.73Å; F620-W625 HydrophobicContact CD1-CZ2 3.73Å; F620-W625 AromaticContact CD1-CZ3 3.94Å; F620-W625 HydrophobicContact CD1-CZ3 3.94Å; F620-W625 HydrophobicContact CE1-CE3 4.49Å; F620-W625 AromaticContact CE1-CH2 3.81Å; F620-W625 HydrophobicContact CE1-CH2 3.81Å; F620-W625 HydrophobicContact CE1-CZ2 4.16Å; F620-W625 AromaticContact CE1-CZ3 3.99Å; F620-W625 HydrophobicContact CE1-CZ3 3.99Å; D622-W625 WeakPolarHBondContact OD1-CB 3.43Å; D622-W625 PolarHBondContact OD1-N 3.36Å; D622-W625 VanDerWaalsContact OD1-N 3.08Å; G623-W625 PolarHBondContact O-N 2.98Å; W625-F629 AromaticContact CD1-CD2 3.84Å; W625-F629 AromaticContact CD2-CD2 3.87Å; W625-F629 HydrophobicContact CD2-CD2 3.87Å; W625-F629 AromaticContact CD2-CE2 3.75Å; W625-F629 HydrophobicContact CD2-CE2 3.75Å; W625-F629 AromaticContact CE2-CD2 3.52Å; W625-F629 AromaticContact CE2-CE2 3.48Å; W625-F629 VanDerWaalsContact CE2-CE2 3.48Å; W625-F629 HydrophobicContact CE3-CE2 4.03Å; W625-F629 HydrophobicContact CG-CD2 4.04Å; W625-F629 HydrophobicContact CG-CE2 4.37Å; W625-F629 AromaticContact CH2-CE2 3.85Å; W625-F629 HydrophobicContact CH2-CE2 3.85Å; W625-F629 HydrophobicContact CH2-CZ 4.47Å; W625-F629 AromaticContact CZ2-CD2 3.96Å; W625-F629 HydrophobicContact CZ2-CD2 3.96Å; W625-F629 AromaticContact CZ2-CE2 3.53Å; W625-F629 HydrophobicContact CZ2-CE2 3.53Å; W625-F629 HydrophobicContact CZ2-CZ 4.34Å; W625-F629 HydrophobicContact CZ3-CE2 4.09Å; W625-F629 AromaticContact NE1-CD2 3.51Å; W625-F629 AromaticContact NE1-CE2 3.99Å; W625-F629 VanDerWaalsContact O-CD2 3.29Å; W625-F629 WeakPolarHBondContact O-CD2 3.3Å; W625-F629 PolarHBondContact O-N 2.71Å; W625-F629 VanDerWaalsContact O-N 3.13Å; W625-L640 HydrophobicContact CE3-CD2 3.99Å; W625-V642 HydrophobicContact CH2-CG1 4.16Å; W625-V642 HydrophobicContact CZ3-CG1 4.34Å; W625-V642 HydrophobicContact CZ3-CG2 4.3Å; W625-R645 HydrophobicContact CZ3-CB 4.25Å; W625-I646 HydrophobicContact CH2-CG1 4.47Å
626	R	92	Very high	90.8	Very high	145 Å²	145	63.6 Å²	63.6	55%	0.547	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-48.2	177.5	172.6	174.6	56.4	-137.8	-9.6	111.3	D622 G623 V628 F629 S630	D622-R626 WeakPolarHBondContact O-CB 3.31Å; D622-R626 PolarHBondContact O-N 3.36Å; G623-R626 PolarHBondContact O-N 2.8Å; G623-R626 VanDerWaalsContact O-N 3.07Å; R626-V628 PolarHBondContact O-N 2.94Å; R626-F629 PolarHBondContact O-N 2.91Å; R626-F629 VanDerWaalsContact O-N 3.15Å; R626-S630 VanDerWaalsContact O-CB 3.23Å; R626-S630 WeakPolarHBondContact O-CB 3.27Å; R626-S630 PolarHBondContact O-N 3.49Å; R626-S630 PolarHBondContact O-OG 3.15Å; R626-S630 VanDerWaalsContact O-OG 3.06Å
627	D	90.2	Very high	89.6	Confident	76 Å²	76	67.6 Å²	67.6	41%	0.406	38%	0.376	S	S	.	.	H	α-helix	trans	-71.2	-15.3	-171.2	-56.2	-18.9	0	0	0	112.6	G623 R631	G623-D627 VanDerWaalsContact C-OD2 3.31Å; G623-D627 WeakPolarHBondContact O-CB 3.19Å; G623-D627 PolarHBondContact O-N 2.95Å; G623-D627 VanDerWaalsContact O-OD2 3.12Å; D627-R631 PolarHBondContact O-NE 2.85Å; D627-R631 PolarHBondContact O-NH2 2.85Å
628	V	90.6	Very high	88.3	Confident	24 Å²	24	70.7 Å²	70.7	15%	0.145	39%	0.39	C	S	.	.	H	α-helix	trans	-82.4	-58.4	164	172.4	0	0	0	0	110.2	A624 R626 S630 R631 P635 L640	A624-V628 WeakPolarHBondContact O-CG2 3.44Å; A624-V628 PolarHBondContact O-N 3.22Å; R626-V628 PolarHBondContact O-N 2.94Å; V628-S630 VanDerWaalsContact C-N 3.35Å; V628-S630 PolarHBondContact O-N 2.86Å; V628-R631 PolarHBondContact O-N 3.07Å; V628-P635 HydrophobicContact CG1-CG 4.27Å; V628-L640 HydrophobicContact CB-CD2 4.35Å; V628-L640 HydrophobicContact CG2-CB 4.45Å; V628-L640 HydrophobicContact CG2-CD2 4Å
629	F	91.9	Very high	87.3	Confident	4 Å²	4	75 Å²	75	2%	0.018	40%	0.401	C	S	.	.	H	α-helix	trans	-84	0.1	-167.9	-63.3	-63.8	0	0	0	115.7	Q511 F514 V515 L600 W625 R626 L640 V642	Q511-F629 HydrophobicContact CB-CD1 3.9Å; Q511-F629 HydrophobicContact CB-CE1 4.4Å; Q511-F629 HydrophobicContact CG-CD1 3.97Å; F514-F629 HydrophobicContact CD1-CE1 4.1Å; F514-F629 HydrophobicContact CD1-CZ 4.38Å; F514-F629 HydrophobicContact CE1-CZ 4.49Å; V515-F629 HydrophobicContact CG2-CE1 3.66Å; V515-F629 HydrophobicContact CG2-CZ 3.52Å; L600-F629 HydrophobicContact CD2-CD1 3.73Å; L600-F629 HydrophobicContact CD2-CD2 4.17Å; L600-F629 HydrophobicContact CD2-CE1 3.81Å; L600-F629 HydrophobicContact CD2-CE2 4.26Å; L600-F629 HydrophobicContact CD2-CG 3.91Å; L600-F629 HydrophobicContact CD2-CZ 4.09Å; W625-F629 AromaticContact CD1-CD2 3.84Å; W625-F629 AromaticContact CD2-CD2 3.87Å; W625-F629 HydrophobicContact CD2-CD2 3.87Å; W625-F629 AromaticContact CD2-CE2 3.75Å; W625-F629 HydrophobicContact CD2-CE2 3.75Å; W625-F629 AromaticContact CE2-CD2 3.52Å; W625-F629 AromaticContact CE2-CE2 3.48Å; W625-F629 VanDerWaalsContact CE2-CE2 3.48Å; W625-F629 HydrophobicContact CE3-CE2 4.03Å; W625-F629 HydrophobicContact CG-CD2 4.04Å; W625-F629 HydrophobicContact CG-CE2 4.37Å; W625-F629 AromaticContact CH2-CE2 3.85Å; W625-F629 HydrophobicContact CH2-CE2 3.85Å; W625-F629 HydrophobicContact CH2-CZ 4.47Å; W625-F629 AromaticContact CZ2-CD2 3.96Å; W625-F629 HydrophobicContact CZ2-CD2 3.96Å; W625-F629 AromaticContact CZ2-CE2 3.53Å; W625-F629 HydrophobicContact CZ2-CE2 3.53Å; W625-F629 HydrophobicContact CZ2-CZ 4.34Å; W625-F629 HydrophobicContact CZ3-CE2 4.09Å; W625-F629 AromaticContact NE1-CD2 3.51Å; W625-F629 AromaticContact NE1-CE2 3.99Å; W625-F629 VanDerWaalsContact O-CD2 3.29Å; W625-F629 WeakPolarHBondContact O-CD2 3.3Å; W625-F629 PolarHBondContact O-N 2.71Å; W625-F629 VanDerWaalsContact O-N 3.13Å; R626-F629 PolarHBondContact O-N 2.91Å; R626-F629 VanDerWaalsContact O-N 3.15Å; F629-L640 HydrophobicContact CE2-CD2 4.44Å; F629-V642 HydrophobicContact CE2-CG2 4.32Å; F629-V642 HydrophobicContact CZ-CG2 4.01Å
630	S	87.6	Confident	86.9	Confident	83 Å²	83	75.4 Å²	75.4	58%	0.58	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	2.1	170	76.6	0	0	0	0	114.1	R626 V628	R626-S630 VanDerWaalsContact O-CB 3.23Å; R626-S630 WeakPolarHBondContact O-CB 3.27Å; R626-S630 PolarHBondContact O-N 3.49Å; R626-S630 PolarHBondContact O-OG 3.15Å; R626-S630 VanDerWaalsContact O-OG 3.06Å; V628-S630 VanDerWaalsContact C-N 3.35Å; V628-S630 PolarHBondContact O-N 2.86Å
631	R	85.1	Confident	86.7	Confident	149 Å²	149	79.6 Å²	79.6	56%	0.562	42%	0.424	S	S	*	.	S	Bend	trans	-80.4	156.1	178	-64.4	-176.1	-172.4	-100	-12.3	111.9	W510 Q511 D627 V628 E633	W510-R631 HydrophobicContact CZ2-CB 4.24Å; W510-R631 WeakPolarHBondContact CZ2-O 3.44Å; Q511-R631 PolarHBondContact NE2-O 3.12Å; D627-R631 PolarHBondContact O-NE 2.85Å; D627-R631 PolarHBondContact O-NH2 2.85Å; V628-R631 PolarHBondContact O-N 3.07Å; R631-E633 WeakPolarHBondContact CB-O 3.37Å
632	S	84.1	Confident	86.7	Confident	106 Å²	106	77 Å²	77	74%	0.741	41%	0.41	S	S	*	.	S	Bend	trans	-73	-27.7	170.1	48.2	0	0	0	0	112.9	W510	W510-S632 VanDerWaalsContact NE1-C 3.33Å; W510-S632 PolarHBondContact NE1-O 2.91Å
633	E	86.6	Confident	86.7	Confident	133 Å²	133	74.9 Å²	74.9	62%	0.621	40%	0.399	S	S	*	.	S	Bend	trans	-127.7	152.5	-171.2	-69.9	177.6	-168.2	0	0	111.9	W510 R631	W510-E633 VanDerWaalsContact CE2-C 3.48Å; W510-E633 WeakPolarHBondContact CZ2-O 3.39Å; R631-E633 WeakPolarHBondContact CB-O 3.37Å
634	P	85.3	Confident	86.9	Confident	74 Å²	74	74.2 Å²	74.2	48%	0.481	39%	0.393	S	S	.	.			trans	-65.3	150.9	-179.1	26.7	-35.4	0	0	0	113.7	W510	W510-P634 HydrophobicContact CD2-CB 3.97Å; W510-P634 HydrophobicContact CE3-CB 3.62Å; W510-P634 HydrophobicContact CG-CB 4.48Å; W510-P634 HydrophobicContact CZ3-CB 4.09Å
635	P	84.3	Confident	87.1	Confident	36 Å²	36	74 Å²	74	23%	0.234	38%	0.382	C	S	.	.			trans	-67	133.5	175.7	29.4	-35	0	0	0	111	W510 F514 V628 T637	W510-P635 VanDerWaalsContact CZ3-CD 3.5Å; F514-P635 HydrophobicContact CD1-CG 4.42Å; F514-P635 HydrophobicContact CD2-CG 4.32Å; F514-P635 HydrophobicContact CE1-CG 3.96Å; F514-P635 HydrophobicContact CE2-CG 3.86Å; F514-P635 HydrophobicContact CZ-CG 3.66Å; V628-P635 HydrophobicContact CG1-CG 4.27Å; P635-T637 VanDerWaalsContact C-N 3.27Å; P635-T637 PolarHBondContact O-N 2.77Å
636	Q	77.9	Confident	87.2	Confident	189 Å²	189	73.8 Å²	73.8	88%	0.883	38%	0.381	S	S	*	.	S	Bend	trans	-78.5	-8.1	178.4	-63.8	-177.3	0.1	0	0	113.8
637	T	72.5	Confident	87.4	Confident	83 Å²	83	68.4 Å²	68.4	51%	0.509	37%	0.366	S	S	.	.	S	Bend	trans	-145.9	141.9	177.4	45.5	0	0	0	0	111	P635 Q639	P635-T637 VanDerWaalsContact C-N 3.27Å; P635-T637 PolarHBondContact O-N 2.77Å; T637-Q639 PolarHBondContact O-N 2.95Å; T637-Q639 VanDerWaalsContact O-N 3.09Å; T637-Q639 PolarHBondContact OG1-NE2 3.14Å
638	D	67.4	Low	87.7	Confident	103 Å²	103	69.9 Å²	69.9	55%	0.551	37%	0.37	S	S	*	.			trans	-74.3	96.2	174.7	-75.2	-28.4	0	0	0	110.9	F514 Q518	F514-D638 WeakPolarHBondContact CE2-OD1 3.34Å; F514-D638 WeakPolarHBondContact CZ-OD1 3.36Å; Q518-D638 PolarHBondContact NE2-OD1 2.79Å; Q518-D638 PolarHBondContact NE2-OD2 2.97Å
639	Q	74.5	Confident	88.1	Confident	174 Å²	174	68.8 Å²	68.8	81%	0.813	36%	0.363	S	S	*	.			trans	-105.7	-6.9	177.3	-59.2	-174.9	15.9	0	0	113.2	T637	T637-Q639 PolarHBondContact O-N 2.95Å; T637-Q639 VanDerWaalsContact O-N 3.09Å; T637-Q639 PolarHBondContact OG1-NE2 3.14Å
640	L	88.7	Confident	88.3	Confident	24 Å²	24	69.2 Å²	69.2	13%	0.126	37%	0.366	C	S	.	.	S	Bend	trans	-129	124.7	-172.5	-175.4	62.1	0	0	0	110.9	A624 W625 V628 F629 V642	A624-L640 HydrophobicContact CB-CD1 4.09Å; W625-L640 HydrophobicContact CE3-CD2 3.99Å; V628-L640 HydrophobicContact CB-CD2 4.35Å; V628-L640 HydrophobicContact CG2-CB 4.45Å; V628-L640 HydrophobicContact CG2-CD2 4Å; F629-L640 HydrophobicContact CE2-CD2 4.44Å; L640-V642 HydrophobicContact CB-CG2 4.44Å; L640-V642 HydrophobicContact CD2-CG2 4.14Å; L640-V642 HydrophobicContact CG-CG2 4.14Å; L640-V642 PolarHBondContact O-N 3.03Å
641	D	92.5	Very high	88.7	Confident	90 Å²	90	69.3 Å²	69.3	48%	0.481	37%	0.366	S	S	.	.			trans	-74.1	75.9	174.6	-179.4	21.1	0	0	0	111.6	G644 R645	D641-G644 VanDerWaalsContact OD1-CA 3.3Å; D641-G644 WeakPolarHBondContact OD1-CA 3.48Å; D641-G644 PolarHBondContact OD1-N 2.81Å; D641-G644 WeakPolarHBondContact OD2-CA 3.26Å; D641-R645 WeakPolarHBondContact O-CB 3.41Å; D641-R645 VanDerWaalsContact O-CG 3.25Å; D641-R645 WeakPolarHBondContact O-CG 3.19Å; D641-R645 PolarHBondContact O-N 2.8Å; D641-R645 VanDerWaalsContact O-N 3.11Å
642	V	94.5	Very high	89.2	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.006	35%	0.353	C	S	.	.	H	α-helix	trans	-64	-47.3	178.3	171.6	0	0	0	0	110.9	F514 V515 W625 F629 L640 R645 I646	F514-V642 HydrophobicContact CE1-CG2 4.27Å; V515-V642 HydrophobicContact CB-CG1 4.28Å; V515-V642 HydrophobicContact CG1-CG1 3.83Å; V515-V642 HydrophobicContact CG2-CG1 3.81Å; W625-V642 HydrophobicContact CH2-CG1 4.16Å; W625-V642 HydrophobicContact CZ3-CG1 4.34Å; W625-V642 HydrophobicContact CZ3-CG2 4.3Å; F629-V642 HydrophobicContact CE2-CG2 4.32Å; F629-V642 HydrophobicContact CZ-CG2 4.01Å; L640-V642 HydrophobicContact CB-CG2 4.44Å; L640-V642 HydrophobicContact CD2-CG2 4.14Å; L640-V642 HydrophobicContact CG-CG2 4.14Å; L640-V642 PolarHBondContact O-N 3.03Å; V642-R645 PolarHBondContact O-N 2.99Å; V642-I646 HydrophobicContact CG1-CD1 3.89Å; V642-I646 WeakPolarHBondContact O-CG1 3.35Å; V642-I646 PolarHBondContact O-N 3.16Å
643	S	95.3	Very high	89.6	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.9	-40.9	-175.8	-169.4	0	0	0	0	112.3	Q522 H524 I646 S647	Q522-S643 VanDerWaalsContact CD-CB 3.45Å; Q522-S643 VanDerWaalsContact OE1-CB 3.26Å; Q522-S643 PolarHBondContact OE1-OG 3.33Å; H524-S643 PolarHBondContact CD2-OG 3.47Å; H524-S643 PolarHBondContact NE2-OG 3.44Å; S643-I646 PolarHBondContact O-N 2.85Å; S643-S647 VanDerWaalsContact O-CB 3.27Å; S643-S647 WeakPolarHBondContact O-CB 3.4Å; S643-S647 PolarHBondContact O-N 2.83Å; S643-S647 PolarHBondContact O-OG 3.27Å
644	G	95.9	Very high	89.8	Confident	13 Å²	13	56.4 Å²	56.4	13%	0.134	32%	0.318	C	S	.	.	H	α-helix	trans	-67.4	-41.2	174.7	0	0	0	0	0	112.7	D641 I646 S647 Q648	D641-G644 VanDerWaalsContact OD1-CA 3.3Å; D641-G644 WeakPolarHBondContact OD1-CA 3.48Å; D641-G644 PolarHBondContact OD1-N 2.81Å; D641-G644 WeakPolarHBondContact OD2-CA 3.26Å; G644-I646 PolarHBondContact O-N 2.8Å; G644-S647 PolarHBondContact O-N 3.34Å; G644-Q648 WeakPolarHBondContact O-CB 3.4Å; G644-Q648 WeakPolarHBondContact O-CG 3.17Å; G644-Q648 PolarHBondContact O-N 3.35Å
645	R	96.8	Very high	90.1	Very high	43 Å²	43	54.7 Å²	54.7	16%	0.162	31%	0.305	C	S	.	.	H	α-helix	trans	-58.5	-45.1	172.3	-77.8	175.3	176.1	-139.7	7.4	112	S619 F620 D622 W625 D641 V642 Y649	S619-R645 WeakPolarHBondContact O-CD 3.39Å; S619-R645 PolarHBondContact O-NH1 2.97Å; F620-R645 HydrophobicContact CE1-CB 4.39Å; D622-R645 VanDerWaalsContact CG-NH1 3.35Å; D622-R645 IonicContact OD1-CZ 2.66Å; D622-R645 IonicContact OD1-NH1 3.78Å; D622-R645 PolarHBondContact OD1-NH1 3.45Å; D622-R645 IonicContact OD1-NH2 2.66Å; D622-R645 IonicContact OD2-CZ 2.78Å; D622-R645 IonicContact OD2-NH1 2.7Å; D622-R645 PolarHBondContact OD2-NH1 2.86Å; D622-R645 IonicContact OD2-NH2 2.81Å; D622-R645 PolarHBondContact OD2-NH2 2.8Å; W625-R645 HydrophobicContact CZ3-CB 4.25Å; D641-R645 WeakPolarHBondContact O-CB 3.41Å; D641-R645 VanDerWaalsContact O-CG 3.25Å; D641-R645 WeakPolarHBondContact O-CG 3.19Å; D641-R645 PolarHBondContact O-N 2.8Å; D641-R645 VanDerWaalsContact O-N 3.11Å; V642-R645 PolarHBondContact O-N 2.99Å; R645-Y649 PolarHBondContact O-N 3.23Å
646	I	97.9	Very high	90.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-43.2	177.1	-67.9	171.8	0	0	0	111	I503 V515 L519 V563 V598 F620 W625 V642 S643 G644 Q648 Y649 I650	I503-I646 HydrophobicContact CD1-CG2 4.13Å; V515-I646 HydrophobicContact CG1-CD1 3.63Å; L519-I646 HydrophobicContact CD1-CD1 4.07Å; L519-I646 HydrophobicContact CD2-CB 4.35Å; L519-I646 HydrophobicContact CD2-CD1 4.28Å; L519-I646 HydrophobicContact CD2-CG2 4.16Å; L519-I646 HydrophobicContact CG-CD1 4.47Å; V563-I646 HydrophobicContact CG1-CG2 4.48Å; V598-I646 HydrophobicContact CG1-CD1 4.11Å; V598-I646 HydrophobicContact CG1-CG1 4.13Å; V598-I646 HydrophobicContact CG2-CG1 4.28Å; F620-I646 HydrophobicContact CE1-CG1 4.43Å; W625-I646 HydrophobicContact CH2-CG1 4.47Å; V642-I646 HydrophobicContact CG1-CD1 3.89Å; V642-I646 WeakPolarHBondContact O-CG1 3.35Å; V642-I646 PolarHBondContact O-N 3.16Å; S643-I646 PolarHBondContact O-N 2.85Å; G644-I646 PolarHBondContact O-N 2.8Å; I646-Q648 PolarHBondContact O-N 2.95Å; I646-Y649 PolarHBondContact O-N 3.37Å; I646-Y649 VanDerWaalsContact O-N 3.16Å; I646-I650 HydrophobicContact CG2-CD1 3.89Å; I646-I650 HydrophobicContact CG2-CG1 4.46Å; I646-I650 WeakPolarHBondContact O-CG1 3.27Å; I646-I650 PolarHBondContact O-N 2.85Å
647	S	96.8	Very high	91.4	Very high	32 Å²	32	47.9 Å²	47.9	22%	0.224	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-39.3	177.1	-67.7	0	0	0	0	113.2	H524 S643 G644 Y649 I650 S651	H524-S647 PolarHBondContact CE1-OG 3Å; H524-S647 PolarHBondContact NE2-OG 3.46Å; S643-S647 VanDerWaalsContact O-CB 3.27Å; S643-S647 WeakPolarHBondContact O-CB 3.4Å; S643-S647 PolarHBondContact O-N 2.83Å; S643-S647 PolarHBondContact O-OG 3.27Å; G644-S647 PolarHBondContact O-N 3.34Å; S647-Y649 VanDerWaalsContact C-N 3.34Å; S647-I650 PolarHBondContact O-N 3.06Å; S647-S651 WeakPolarHBondContact O-CB 3.44Å; S647-S651 PolarHBondContact O-N 3.02Å; S647-S651 PolarHBondContact O-OG 2.96Å
648	Q	96.4	Very high	92.4	Very high	107 Å²	107	47.8 Å²	47.8	50%	0.5	27%	0.268	S	S	.	.	H	α-helix	trans	-64.1	-38.8	172.8	-73.8	172	29	0	0	111.3	G644 I646 S651 G652 F899	G644-Q648 WeakPolarHBondContact O-CB 3.4Å; G644-Q648 WeakPolarHBondContact O-CG 3.17Å; G644-Q648 PolarHBondContact O-N 3.35Å; I646-Q648 PolarHBondContact O-N 2.95Å; Q648-S651 PolarHBondContact O-OG 3.24Å; Q648-G652 VanDerWaalsContact O-CA 3.31Å; Q648-G652 WeakPolarHBondContact O-CA 3.32Å; Q648-G652 PolarHBondContact O-N 2.68Å; Q648-F899 WeakPolarHBondContact O-CE1 2.98Å
649	Y	97.8	Very high	93.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.8	-42	176.5	-176.7	-151.9	0	0	0	112.7	L596 V597 V598 Y616 F620 R645 I646 S647 T653 G897 F899	L596-Y649 HydrophobicContact CB-CD1 4.14Å; L596-Y649 HydrophobicContact CB-CE1 3.61Å; L596-Y649 HydrophobicContact CD2-CE2 4.07Å; L596-Y649 HydrophobicContact CG-CE1 4.5Å; V597-Y649 PolarHBondContact N-OH 3.02Å; V598-Y649 HydrophobicContact CG2-CD1 4Å; V598-Y649 HydrophobicContact CG2-CE1 4.19Å; Y616-Y649 HydrophobicContact CD2-CE1 4.17Å; Y616-Y649 AromaticContact CD2-CE2 3.95Å; Y616-Y649 HydrophobicContact CD2-CE2 3.95Å; Y616-Y649 AromaticContact CD2-CZ 3.72Å; Y616-Y649 AromaticContact CE2-CE1 3.77Å; Y616-Y649 HydrophobicContact CE2-CE1 3.77Å; Y616-Y649 HydrophobicContact CE2-CE2 4.32Å; Y616-Y649 AromaticContact CE2-CZ 3.61Å; F620-Y649 AromaticContact CE2-CD1 3.4Å; F620-Y649 HydrophobicContact CE2-CD1 3.4Å; F620-Y649 VanDerWaalsContact CE2-CD1 3.4Å; F620-Y649 HydrophobicContact CE2-CD2 4.43Å; F620-Y649 AromaticContact CE2-CE1 3.96Å; F620-Y649 HydrophobicContact CE2-CE1 3.96Å; F620-Y649 AromaticContact CE2-CG 3.68Å; F620-Y649 HydrophobicContact CE2-CG 3.68Å; F620-Y649 AromaticContact CZ-CD1 3.6Å; F620-Y649 HydrophobicContact CZ-CD1 3.6Å; F620-Y649 HydrophobicContact CZ-CE1 4.44Å; F620-Y649 AromaticContact CZ-CG 3.97Å; F620-Y649 HydrophobicContact CZ-CG 3.97Å; R645-Y649 PolarHBondContact O-N 3.23Å; I646-Y649 PolarHBondContact O-N 3.37Å; I646-Y649 VanDerWaalsContact O-N 3.16Å; S647-Y649 VanDerWaalsContact C-N 3.34Å; Y649-T653 WeakPolarHBondContact O-CB 3.16Å; Y649-T653 PolarHBondContact O-N 2.87Å; Y649-T653 VanDerWaalsContact O-N 3.13Å; Y649-T653 PolarHBondContact O-OG1 3.36Å; Y649-G897 PolarHBondContact OH-O 2.79Å; Y649-F899 VanDerWaalsContact CA-CZ 3.46Å; Y649-F899 AromaticContact CD2-CD2 3.99Å; Y649-F899 HydrophobicContact CD2-CD2 3.99Å; Y649-F899 HydrophobicContact CD2-CE1 4.45Å; Y649-F899 AromaticContact CD2-CE2 3.61Å; Y649-F899 HydrophobicContact CD2-CE2 3.61Å; Y649-F899 AromaticContact CD2-CZ 3.89Å; Y649-F899 HydrophobicContact CD2-CZ 3.89Å; Y649-F899 HydrophobicContact CE2-CD2 4.41Å; Y649-F899 HydrophobicContact CE2-CE2 4.35Å; Y649-F899 HydrophobicContact CG-CE2 4.14Å; Y649-F899 HydrophobicContact CG-CZ 4.18Å
650	I	96.9	Very high	94.6	Very high	13 Å²	13	35.3 Å²	35.3	7%	0.067	21%	0.207	C	C	.	.	H	α-helix	trans	-58.2	-52.6	174	-67.5	165.2	0	0	0	110.3	I503 K561 V563 L596 I646 S647	I503-I650 HydrophobicContact CD1-CD1 3.91Å; I503-I650 HydrophobicContact CG1-CD1 4.21Å; K561-I650 HydrophobicContact CD-CG2 4.09Å; K561-I650 PolarHBondContact NZ-O 2.88Å; V563-I650 HydrophobicContact CG2-CD1 3.94Å; V563-I650 HydrophobicContact CG2-CG1 3.74Å; L596-I650 HydrophobicContact CD1-CB 4.46Å; L596-I650 HydrophobicContact CD1-CG1 4.12Å; I646-I650 HydrophobicContact CG2-CD1 3.89Å; I646-I650 HydrophobicContact CG2-CG1 4.46Å; I646-I650 WeakPolarHBondContact O-CG1 3.27Å; I646-I650 PolarHBondContact O-N 2.85Å; S647-I650 PolarHBondContact O-N 3.06Å
651	S	95.9	Very high	94.9	Very high	85 Å²	85	34.1 Å²	34.1	59%	0.594	20%	0.202	S	C	*	.	H	α-helix	trans	-73.9	-39.2	-176.5	55.4	0	0	0	0	113.5	S647 Q648	S647-S651 WeakPolarHBondContact O-CB 3.44Å; S647-S651 PolarHBondContact O-N 3.02Å; S647-S651 PolarHBondContact O-OG 2.96Å; Q648-S651 PolarHBondContact O-OG 3.24Å
652	G	94.4	Very high	95.1	Very high	27 Å²	27	29.9 Å²	29.9	28%	0.278	18%	0.179	S	C	.	.	H	α-helix	trans	-84.8	-7.9	-174.6	0	0	0	0	0	116	Q648 S654	Q648-G652 VanDerWaalsContact O-CA 3.31Å; Q648-G652 WeakPolarHBondContact O-CA 3.32Å; Q648-G652 PolarHBondContact O-N 2.68Å; G652-S654 PolarHBondContact O-N 3.21Å
653	T	93.3	Very high	95.2	Very high	13 Å²	13	31.4 Å²	31.4	8%	0.08	19%	0.186	C	C	.	.			trans	-60.8	119.8	173.1	-72.4	0	0	0	0	110.8	L596 Y649 L898	L596-T653 HydrophobicContact CD2-CG2 3.91Å; L596-T653 WeakPolarHBondContact CD2-OG1 3.42Å; Y649-T653 WeakPolarHBondContact O-CB 3.16Å; Y649-T653 PolarHBondContact O-N 2.87Å; Y649-T653 VanDerWaalsContact O-N 3.13Å; Y649-T653 PolarHBondContact O-OG1 3.36Å; T653-L898 WeakPolarHBondContact CA-O 2.94Å
654	S	90.4	Very high	95.4	Very high	78 Å²	78	31.4 Å²	31.4	55%	0.545	19%	0.186	S	C	.	.			trans	-116.7	-42.8	178.5	68.9	0	0	0	0	112.3	R594 G652 L898 F899	R594-S654 PolarHBondContact NH1-O 2.96Å; G652-S654 PolarHBondContact O-N 3.21Å; S654-L898 PolarHBondContact N-O 2.84Å; S654-F899 PolarHBondContact OG-O 3.18Å
655	V	92.8	Very high	95.5	Very high	37 Å²	37	31.6 Å²	31.6	22%	0.224	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	152.4	-175.1	168.4	0	0	0	0	111.1	R594 G897 L898 Y901	R594-V655 PolarHBondContact NH1-O 3.35Å; V655-G897 WeakPolarHBondContact O-CA 3.46Å; V655-L898 HydrophobicContact CB-CB 4.26Å; V655-L898 HydrophobicContact CG1-CB 4.4Å; V655-L898 PolarHBondContact N-O 3.19Å; V655-L898 PolarHBondContact O-N 2.96Å; V655-Y901 HydrophobicContact CG1-CD2 4.05Å; V655-Y901 HydrophobicContact CG1-CE2 3.54Å
656	T	94.3	Very high	95.4	Very high	53 Å²	53	29.5 Å²	29.5	33%	0.325	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.5	160.7	-45.2	0	0	0	0	108.6	R594 P895 V896	R594-T656 PolarHBondContact NE-OG1 2.93Å; R594-T656 PolarHBondContact NH2-OG1 3.42Å; T656-P895 HydrophobicContact CG2-CB 3.78Å; T656-V896 CarbonylContact C-O 3.51Å; T656-V896 WeakPolarHBondContact CA-O 3.39Å
657	H	94.1	Very high	95.3	Very high	30 Å²	30	29.9 Å²	29.9	14%	0.139	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	138.3	167.7	-177.4	74	0	0	0	109.4	V896 L898 Y901	H657-V896 PolarHBondContact N-O 2.66Å; H657-V896 PolarHBondContact O-N 2.94Å; H657-L898 HydrophobicContact CB-CD1 3.81Å; H657-L898 HydrophobicContact CB-CG 4.28Å; H657-Y901 HydrophobicContact CB-CE1 4.45Å; H657-Y901 AromaticContact ND1-CE1 3.67Å; H657-Y901 AromaticContact ND1-CZ 3.77Å; H657-Y901 PolarHBondContact ND1-OH 3.2Å
658	Q	93.5	Very high	95	Very high	80 Å²	80	28.4 Å²	28.4	37%	0.374	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	91.5	-175.9	-68.6	-71.2	23.8	0	0	109.5	P660 Y893	Q658-P660 WeakPolarHBondContact O-CD 3.46Å; Q658-Y893 HydrophobicContact CB-CD1 3.84Å; Q658-Y893 HydrophobicContact CB-CG 3.89Å
659	L	94.1	Very high	94.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	120.9	177.5	-73.7	-178.8	0	0	0	109.6	V605 L609 I685 L800 Y893 L894 V896	V605-L659 HydrophobicContact CG1-CD1 3.46Å; V605-L659 VanDerWaalsContact CG1-CD1 3.46Å; L609-L659 HydrophobicContact CD2-CD2 4.37Å; L659-I685 HydrophobicContact CD1-CD1 4.15Å; L659-L800 HydrophobicContact CD2-CD2 4.13Å; L659-Y893 CarbonylContact O-C 3.48Å; L659-Y893 VanDerWaalsContact O-CA 3.24Å; L659-Y893 WeakPolarHBondContact O-CA 3.26Å; L659-L894 HydrophobicContact CB-CB 4.37Å; L659-L894 PolarHBondContact N-O 2.88Å; L659-L894 PolarHBondContact O-N 2.98Å; L659-V896 HydrophobicContact CD1-CB 4.4Å; L659-V896 HydrophobicContact CD1-CG2 3.6Å; L659-V896 HydrophobicContact CG-CB 4.48Å; L659-V896 HydrophobicContact CG-CG2 4.02Å
660	P	93.9	Very high	93.5	Very high	15 Å²	15	30.6 Å²	30.6	10%	0.097	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	133.2	-174.8	31.3	-35.8	0	0	0	112.1	Q658 R799 Y893	Q658-P660 WeakPolarHBondContact O-CD 3.46Å; P660-R799 WeakPolarHBondContact O-CG 3.31Å; P660-Y893 HydrophobicContact CB-CD1 3.97Å; P660-Y893 HydrophobicContact CB-CE1 3.96Å
661	I	96	Very high	92.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-94.3	127.6	-175.8	-52.9	168.1	0	0	0	109.4	L575 V579 P683 I685 Q886 W887 V891 K892 Y893 L894	L575-I661 HydrophobicContact CD1-CD1 3.7Å; L575-I661 HydrophobicContact CD1-CG1 3.92Å; L575-I661 HydrophobicContact CD1-CG2 4.27Å; L575-I661 HydrophobicContact CD2-CG2 4.48Å; V579-I661 HydrophobicContact CG2-CD1 3.81Å; V579-I661 HydrophobicContact CG2-CG2 4.46Å; I661-P683 HydrophobicContact CG2-CB 3.67Å; I661-I685 HydrophobicContact CB-CG2 4.4Å; I661-I685 HydrophobicContact CG1-CG2 3.94Å; I661-Q886 CarbonylContact O-C 3.57Å; I661-Q886 WeakPolarHBondContact O-CA 3.27Å; I661-W887 HydrophobicContact CB-CB 4.16Å; I661-W887 HydrophobicContact CG2-CB 3.89Å; I661-W887 HydrophobicContact CG2-CG 4.31Å; I661-W887 PolarHBondContact O-N 3.29Å; I661-V891 HydrophobicContact CD1-CG1 4.08Å; I661-K892 PolarHBondContact N-O 3.28Å; I661-Y893 VanDerWaalsContact CD1-C 3.44Å; I661-L894 HydrophobicContact CD1-CB 4.38Å; I661-L894 HydrophobicContact CG1-CB 4.44Å
662	A	96.8	Very high	90.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	165	172.8	0	0	0	0	0	111.7	P683 F684 R799 A884	A662-P683 WeakPolarHBondContact O-CA 3.37Å; A662-F684 HydrophobicContact CB-CD1 3.87Å; A662-F684 HydrophobicContact CB-CD2 4.43Å; A662-F684 HydrophobicContact CB-CE1 3.42Å; A662-F684 VanDerWaalsContact CB-CE1 3.42Å; A662-F684 HydrophobicContact CB-CE2 4.04Å; A662-F684 HydrophobicContact CB-CG 4.36Å; A662-F684 HydrophobicContact CB-CZ 3.52Å; A662-F684 PolarHBondContact N-O 3.37Å; A662-F684 PolarHBondContact O-N 3.13Å; A662-R799 HydrophobicContact CB-CB 4.31Å; A662-R799 HydrophobicContact CB-CG 3.76Å; A662-A884 WeakPolarHBondContact CA-O 3.34Å; A662-A884 VanDerWaalsContact CB-O 3.29Å; A662-A884 WeakPolarHBondContact CB-O 3.31Å
663	E	97.1	Very high	88.6	Confident	34 Å²	34	45.6 Å²	45.6	16%	0.159	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.6	176.8	178.8	-174.1	88.9	0	0	110.8	F681 L883 A884 W887 P888	E663-F681 HydrophobicContact CG-CD1 4.27Å; E663-L883 CarbonylContact O-C 3.39Å; E663-L883 VanDerWaalsContact O-CA 3.29Å; E663-L883 WeakPolarHBondContact O-CA 3.47Å; E663-A884 HydrophobicContact CB-CB 4.45Å; E663-A884 PolarHBondContact N-O 3.46Å; E663-A884 PolarHBondContact O-N 3.37Å; E663-W887 HydrophobicContact CB-CE3 3.78Å; E663-W887 HydrophobicContact CB-CZ3 4.13Å; E663-W887 HydrophobicContact CG-CE3 4.05Å; E663-W887 HydrophobicContact CG-CZ3 3.9Å; E663-P888 WeakPolarHBondContact OE2-CD 3.1Å; E663-P888 VanDerWaalsContact OE2-CG 3.29Å; E663-P888 WeakPolarHBondContact OE2-CG 3.34Å
664	A	98.1	Very high	87	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.9	163.6	0	0	0	0	0	110.2	I682 F684 I870 Q882 L883	A664-I682 HydrophobicContact CB-CB 4.45Å; A664-I682 PolarHBondContact N-O 3.47Å; A664-I682 PolarHBondContact O-N 3.25Å; A664-F684 HydrophobicContact CB-CD1 3.89Å; A664-F684 HydrophobicContact CB-CE1 4.04Å; A664-I870 HydrophobicContact CB-CD1 3.73Å; A664-I870 HydrophobicContact CB-CG1 4.45Å; A664-Q882 CarbonylContact C-O 3.5Å; A664-Q882 WeakPolarHBondContact CA-O 3.42Å; A664-L883 HydrophobicContact CB-CD2 3.5Å; A664-L883 VanDerWaalsContact CB-CD2 3.5Å
665	M	97.6	Very high	85.6	Confident	16 Å²	16	58.8 Å²	58.8	8%	0.079	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	106.5	170.7	-172.4	-164.7	81.4	0	0	109.6	K680 F681 F880 F881 Q882	M665-K680 CarbonylContact C-O 3.59Å; M665-K680 WeakPolarHBondContact CA-O 3.36Å; M665-F681 HydrophobicContact CB-CD1 3.94Å; M665-F681 HydrophobicContact CB-CE1 3.9Å; M665-F681 HydrophobicContact CG-CD1 3.84Å; M665-F681 HydrophobicContact CG-CE1 3.46Å; M665-F681 VanDerWaalsContact CG-CE1 3.46Å; M665-F681 HydrophobicContact CG-CE2 4.37Å; M665-F681 HydrophobicContact CG-CG 4.45Å; M665-F681 HydrophobicContact CG-CZ 3.74Å; M665-F681 HydrophobicContact SD-CE1 3.62Å; M665-F681 HydrophobicContact SD-CZ 3.68Å; M665-F880 HydrophobicContact CE-CE2 4.09Å; M665-F881 CarbonylContact O-C 3.53Å; M665-F881 VanDerWaalsContact O-CA 3.28Å; M665-F881 WeakPolarHBondContact O-CA 3.34Å; M665-Q882 HydrophobicContact CB-CB 4.43Å; M665-Q882 HydrophobicContact CE-CB 4.33Å; M665-Q882 HydrophobicContact CE-CG 3.76Å; M665-Q882 PolarHBondContact N-O 3.23Å; M665-Q882 PolarHBondContact O-N 2.94Å
666	L	96.4	Very high	84.8	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	136.6	170.8	-60.3	-176.2	0	0	0	110.3	Q679 K680 I682 V868 I870 W875 V878 F881	L666-Q679 CarbonylContact O-C 3.57Å; L666-Q679 VanDerWaalsContact O-CA 3.26Å; L666-Q679 WeakPolarHBondContact O-CA 3.35Å; L666-K680 PolarHBondContact N-O 3.33Å; L666-K680 PolarHBondContact O-N 3.09Å; L666-I682 HydrophobicContact CD1-CD1 3.61Å; L666-I682 HydrophobicContact CG-CD1 3.98Å; L666-V868 HydrophobicContact CD2-CG1 4.39Å; L666-I870 HydrophobicContact CD1-CD1 3.98Å; L666-I870 HydrophobicContact CD2-CD1 3.93Å; L666-I870 HydrophobicContact CG-CD1 4.02Å; L666-W875 HydrophobicContact CD1-CB 3.72Å; L666-W875 HydrophobicContact CD1-CD2 3.42Å; L666-W875 VanDerWaalsContact CD1-CD2 3.42Å; L666-W875 HydrophobicContact CD1-CE3 3.74Å; L666-W875 HydrophobicContact CD1-CG 3.39Å; L666-V878 HydrophobicContact CD1-CG2 4.11Å; L666-V878 HydrophobicContact CD2-CG1 4.14Å; L666-V878 HydrophobicContact CD2-CG2 4.11Å; L666-F881 HydrophobicContact CD2-CB 3.55Å; L666-F881 HydrophobicContact CD2-CG 4.38Å
667	T	94.6	Very high	84.2	Confident	7 Å²	7	62 Å²	62	4%	0.043	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.4	164.6	-58.5	0	0	0	0	108.8	Q679 K879 F880	T667-Q679 HydrophobicContact CG2-CG 4.5Å; T667-K879 PolarHBondContact O-N 2.84Å; T667-F880 HydrophobicContact CG2-CD1 4.35Å; T667-F880 HydrophobicContact CG2-CE1 3.75Å; T667-F880 HydrophobicContact CG2-CZ 4Å; T667-F880 PolarHBondContact N-O 3.38Å; T667-F880 VanDerWaalsContact OG1-CE2 3.29Å; T667-F880 WeakPolarHBondContact OG1-CE2 3.47Å; T667-F880 WeakPolarHBondContact OG1-CZ 3.41Å
668	C	90.6	Very high	84	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.014	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	153.3	-171.4	-61.9	0	0	0	0	112.5	S677 Y678 D877	C668-S677 CarbonylContact O-C 3.5Å; C668-S677 WeakPolarHBondContact O-CA 3.48Å; C668-S677 WeakPolarHBondContact O-CB 3.35Å; C668-Y678 HydrophobicContact CB-CD1 4.29Å; C668-Y678 HydrophobicContact CB-CD2 4.29Å; C668-Y678 HydrophobicContact CB-CE1 3.74Å; C668-Y678 HydrophobicContact CB-CE2 3.71Å; C668-Y678 VanDerWaalsContact CB-CZ 3.44Å; C668-Y678 PolarHBondContact N-O 3.42Å; C668-Y678 PolarHBondContact O-N 3.18Å; C668-Y678 VanDerWaalsContact O-N 3.08Å; C668-D877 CarbonylContact C-O 3.55Å; C668-D877 VanDerWaalsContact CA-O 3.24Å; C668-D877 WeakPolarHBondContact CA-O 3.33Å; C668-D877 HydrophobicContact CB-CB 4.49Å
669	K	84.4	Confident	83.9	Confident	67 Å²	67	64.9 Å²	64.9	29%	0.291	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	145.6	166.1	-71.1	-173.5	-178.7	-177.4	0	110.5	Y678 I865 D877 K879	K669-Y678 WeakPolarHBondContact O-CE1 3.13Å; K669-I865 HydrophobicContact CD-CD1 3.86Å; K669-I865 HydrophobicContact CD-CG1 4.22Å; K669-D877 PolarHBondContact N-O 2.8Å; K669-K879 HydrophobicContact CG-CD 4.39Å; K669-K879 HydrophobicContact CG-CG 3.96Å
670	H	77.8	Confident	83.9	Confident	86 Å²	86	68.8 Å²	68.8	40%	0.398	32%	0.324	S	S	.	.			trans	-75	145.8	166.8	-160.3	-109.9	0	0	0	110.3	T672 E676	H670-T672 PolarHBondContact CE1-OG1 3.38Å; H670-T672 PolarHBondContact ND1-OG1 3Å; H670-E676 WeakPolarHBondContact CB-O 3.34Å; H670-E676 PolarHBondContact N-O 2.88Å
671	K	67.4	Low	84	Confident	166 Å²	166	72.8 Å²	72.8	72%	0.722	34%	0.34	S	S	*	.	S	Bend	trans	-81.1	-13.4	-174.6	-73	-165.1	172.6	-170.3	0	114.7	D877	K671-D877 WeakPolarHBondContact CE-OD2 3.36Å; K671-D877 IonicContact NZ-OD2 2.84Å
672	T	60.3	Low	84.1	Confident	121 Å²	121	73.3 Å²	73.3	74%	0.742	34%	0.343	S	S	*	.	S	Bend	trans	-129.2	6.1	-174.5	60.8	0	0	0	0	114	H670	H670-T672 PolarHBondContact CE1-OG1 3.38Å; H670-T672 PolarHBondContact ND1-OG1 3Å
673	R	58.5	Low	84.1	Confident	152 Å²	152	73.7 Å²	73.7	57%	0.574	35%	0.345	S	S	*	.			trans	-151.2	120	179.6	-126.1	-172.8	-177.9	-172.6	-5.7	108.3	E676	R673-E676 WeakPolarHBondContact CD-OE2 3.29Å; R673-E676 IonicContact CZ-OE1 2.65Å; R673-E676 IonicContact CZ-OE2 3.21Å; R673-E676 IonicContact NE-OE2 3.9Å; R673-E676 IonicContact NH1-OE1 3.07Å; R673-E676 PolarHBondContact NH1-OE1 2.88Å; R673-E676 IonicContact NH1-OE2 3.44Å; R673-E676 PolarHBondContact NH1-OE2 2.74Å
674	E	58.5	Low	84.1	Confident	186 Å²	186	72 Å²	72	87%	0.869	34%	0.338	S	S	*	.	S	Bend	trans	-75.9	-29.2	-166.4	-59.9	-161.2	121.2	0	0	114.1
675	E	60.8	Low	84	Confident	183 Å²	183	72.1 Å²	72.1	86%	0.855	34%	0.338	S	S	*	.	S	Bend	trans	-85.2	-35.2	-172.4	-59.5	-171.6	121.4	0	0	113.1
676	E	75.9	Confident	83.8	Confident	101 Å²	101	71.3 Å²	71.3	47%	0.472	33%	0.334	S	S	.	.			trans	-79.1	131.5	-178.2	-71.3	176	157	0	0	111.8	H670 R673	H670-E676 WeakPolarHBondContact CB-O 3.34Å; H670-E676 PolarHBondContact N-O 2.88Å; R673-E676 WeakPolarHBondContact CD-OE2 3.29Å; R673-E676 IonicContact CZ-OE1 2.65Å; R673-E676 IonicContact CZ-OE2 3.21Å; R673-E676 IonicContact NE-OE2 3.9Å; R673-E676 IonicContact NH1-OE1 3.07Å; R673-E676 PolarHBondContact NH1-OE1 2.88Å; R673-E676 IonicContact NH1-OE2 3.44Å; R673-E676 PolarHBondContact NH1-OE2 2.74Å
677	S	82.8	Confident	83.7	Confident	56 Å²	56	71.8 Å²	71.8	39%	0.392	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.5	169.7	33.5	0	0	0	0	111.4	C668 K879	C668-S677 CarbonylContact O-C 3.5Å; C668-S677 WeakPolarHBondContact O-CA 3.48Å; C668-S677 WeakPolarHBondContact O-CB 3.35Å; S677-K879 VanDerWaalsContact CB-NZ 3.3Å; S677-K879 PolarHBondContact OG-NZ 3.4Å
678	Y	88.8	Confident	83.8	Confident	69 Å²	69	71.5 Å²	71.5	27%	0.271	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	159.5	178.9	70.5	-96.1	0	0	0	111	C668 K669 K680	C668-Y678 HydrophobicContact CB-CD1 4.29Å; C668-Y678 HydrophobicContact CB-CD2 4.29Å; C668-Y678 HydrophobicContact CB-CE1 3.74Å; C668-Y678 HydrophobicContact CB-CE2 3.71Å; C668-Y678 VanDerWaalsContact CB-CZ 3.44Å; C668-Y678 PolarHBondContact N-O 3.42Å; C668-Y678 PolarHBondContact O-N 3.18Å; C668-Y678 VanDerWaalsContact O-N 3.08Å; K669-Y678 WeakPolarHBondContact O-CE1 3.13Å; Y678-K680 HydrophobicContact CD2-CD 4.45Å; Y678-K680 HydrophobicContact CD2-CG 4.11Å; Y678-K680 HydrophobicContact CE2-CD 3.68Å; Y678-K680 VanDerWaalsContact CE2-CE 3.41Å; Y678-K680 HydrophobicContact CE2-CG 3.82Å; Y678-K680 PolarHBondContact OH-NZ 3.12Å
679	Q	92.8	Very high	84	Confident	102 Å²	102	74.6 Å²	74.6	48%	0.477	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	148.5	174.9	-71.4	178.4	-20.4	0	0	111.6	L666 T667 F681	L666-Q679 CarbonylContact O-C 3.57Å; L666-Q679 VanDerWaalsContact O-CA 3.26Å; L666-Q679 WeakPolarHBondContact O-CA 3.35Å; T667-Q679 HydrophobicContact CG2-CG 4.5Å; Q679-F681 HydrophobicContact CB-CE2 4.31Å
680	K	93.5	Very high	84.4	Confident	81 Å²	81	71.5 Å²	71.5	35%	0.352	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128	169.9	-81.8	177.9	-177.7	155.9	0	109.9	M665 L666 Y678 W875	M665-K680 CarbonylContact C-O 3.59Å; M665-K680 WeakPolarHBondContact CA-O 3.36Å; L666-K680 PolarHBondContact N-O 3.33Å; L666-K680 PolarHBondContact O-N 3.09Å; Y678-K680 HydrophobicContact CD2-CD 4.45Å; Y678-K680 HydrophobicContact CD2-CG 4.11Å; Y678-K680 HydrophobicContact CE2-CD 3.68Å; Y678-K680 VanDerWaalsContact CE2-CE 3.41Å; Y678-K680 HydrophobicContact CE2-CG 3.82Å; Y678-K680 PolarHBondContact OH-NZ 3.12Å; K680-W875 HydrophobicContact CD-CH2 3.98Å; K680-W875 HydrophobicContact CD-CZ3 3.56Å
681	F	95.6	Very high	84.8	Confident	99 Å²	99	68.5 Å²	68.5	43%	0.434	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.1	174.2	-60.8	-94.4	0	0	0	108.5	E663 M665 Q679 W887	E663-F681 HydrophobicContact CG-CD1 4.27Å; M665-F681 HydrophobicContact CB-CD1 3.94Å; M665-F681 HydrophobicContact CB-CE1 3.9Å; M665-F681 HydrophobicContact CG-CD1 3.84Å; M665-F681 HydrophobicContact CG-CE1 3.46Å; M665-F681 VanDerWaalsContact CG-CE1 3.46Å; M665-F681 HydrophobicContact CG-CE2 4.37Å; M665-F681 HydrophobicContact CG-CG 4.45Å; M665-F681 HydrophobicContact CG-CZ 3.74Å; M665-F681 HydrophobicContact SD-CE1 3.62Å; M665-F681 HydrophobicContact SD-CZ 3.68Å; Q679-F681 HydrophobicContact CB-CE2 4.31Å; F681-W887 HydrophobicContact CB-CH2 4.23Å
682	I	97.1	Very high	85	Confident	12 Å²	12	64.9 Å²	64.9	6%	0.062	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	119.8	-171.3	-59.9	164.2	0	0	0	108.3	A664 L666 I870 W875	A664-I682 HydrophobicContact CB-CB 4.45Å; A664-I682 PolarHBondContact N-O 3.47Å; A664-I682 PolarHBondContact O-N 3.25Å; L666-I682 HydrophobicContact CD1-CD1 3.61Å; L666-I682 HydrophobicContact CG-CD1 3.98Å; I682-I870 HydrophobicContact CB-CD1 4.43Å; I682-I870 HydrophobicContact CD1-CD1 3.64Å; I682-I870 HydrophobicContact CG2-CD1 4.46Å; I682-I870 HydrophobicContact CG2-CG2 3.97Å; I682-W875 HydrophobicContact CD1-CD2 4.18Å; I682-W875 HydrophobicContact CD1-CH2 3.92Å; I682-W875 HydrophobicContact CD1-CZ2 3.38Å; I682-W875 HydrophobicContact CD1-CZ3 4.5Å; I682-W875 HydrophobicContact CG1-CZ2 4.25Å
683	P	97.4	Very high	84.9	Confident	7 Å²	7	60.7 Å²	60.7	5%	0.045	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	137.4	172.2	29.7	-32	0	0	0	109.7	L575 Q576 V579 I661 A662 W887	L575-P683 HydrophobicContact CD2-CB 4.21Å; L575-P683 HydrophobicContact CG-CB 4.2Å; L575-P683 HydrophobicContact CG-CG 4.3Å; Q576-P683 HydrophobicContact CB-CG 4.25Å; Q576-P683 HydrophobicContact CG-CG 4.38Å; V579-P683 HydrophobicContact CB-CB 4.43Å; V579-P683 HydrophobicContact CB-CG 4.19Å; V579-P683 HydrophobicContact CG1-CB 4.35Å; V579-P683 HydrophobicContact CG1-CG 4.32Å; V579-P683 HydrophobicContact CG2-CB 4.06Å; V579-P683 HydrophobicContact CG2-CG 4.23Å; I661-P683 HydrophobicContact CG2-CB 3.67Å; A662-P683 WeakPolarHBondContact O-CA 3.37Å; P683-W887 HydrophobicContact CB-CD2 4.13Å; P683-W887 HydrophobicContact CB-CE3 3.68Å; P683-W887 HydrophobicContact CB-CH2 4.29Å; P683-W887 HydrophobicContact CB-CZ3 3.78Å; P683-W887 HydrophobicContact CG-CH2 4.38Å; P683-W887 HydrophobicContact CG-CZ3 4.27Å; P683-W887 VanDerWaalsContact N-CZ3 3.32Å
684	F	97.4	Very high	84.5	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	155.4	176.2	78.7	-84.2	0	0	0	111.9	A662 A664 V688 R799 M815 I870 L883	A662-F684 HydrophobicContact CB-CD1 3.87Å; A662-F684 HydrophobicContact CB-CD2 4.43Å; A662-F684 HydrophobicContact CB-CE1 3.42Å; A662-F684 VanDerWaalsContact CB-CE1 3.42Å; A662-F684 HydrophobicContact CB-CE2 4.04Å; A662-F684 HydrophobicContact CB-CG 4.36Å; A662-F684 HydrophobicContact CB-CZ 3.52Å; A662-F684 PolarHBondContact N-O 3.37Å; A662-F684 PolarHBondContact O-N 3.13Å; A664-F684 HydrophobicContact CB-CD1 3.89Å; A664-F684 HydrophobicContact CB-CE1 4.04Å; F684-V688 HydrophobicContact CD1-CG2 4.3Å; F684-V688 HydrophobicContact CD2-CG2 3.93Å; F684-V688 HydrophobicContact CE1-CG2 4.1Å; F684-V688 HydrophobicContact CE2-CG2 3.71Å; F684-V688 HydrophobicContact CG-CG2 4.22Å; F684-V688 HydrophobicContact CZ-CG2 3.8Å; F684-R799 HydrophobicContact CD2-CB 4.27Å; F684-R799 HydrophobicContact CE2-CB 3.82Å; F684-M815 HydrophobicContact CZ-SD 3.98Å; F684-I870 HydrophobicContact CB-CG2 3.65Å; F684-I870 HydrophobicContact CG-CG2 4.22Å; F684-L883 HydrophobicContact CE1-CD2 4.04Å; F684-L883 HydrophobicContact CZ-CD1 4.41Å; F684-L883 HydrophobicContact CZ-CD2 4.32Å
685	I	95.9	Very high	83.2	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.284	C	S	.	.	S	Bend	trans	-130	-20.8	-178.1	53.2	175.1	0	0	0	113.2	L571 L575 V605 L659 I661 L800 D871 L894	L571-I685 HydrophobicContact CD2-CD1 3.79Å; L571-I685 HydrophobicContact CG-CD1 4.16Å; L575-I685 HydrophobicContact CD1-CG2 4.33Å; L575-I685 HydrophobicContact CD2-CB 4.36Å; L575-I685 HydrophobicContact CD2-CD1 4.38Å; L575-I685 HydrophobicContact CD2-CG1 4Å; L575-I685 HydrophobicContact CD2-CG2 3.78Å; V605-I685 HydrophobicContact CG2-CD1 3.89Å; V605-I685 HydrophobicContact CG2-CG1 3.85Å; L659-I685 HydrophobicContact CD1-CD1 4.15Å; I661-I685 HydrophobicContact CB-CG2 4.4Å; I661-I685 HydrophobicContact CG1-CG2 3.94Å; I685-L800 WeakPolarHBondContact O-CD2 3.49Å; I685-L800 VanDerWaalsContact O-CG 3.31Å; I685-L800 WeakPolarHBondContact O-CG 3.25Å; I685-D871 PolarHBondContact N-OD2 3.12Å; I685-L894 HydrophobicContact CD1-CD2 3.8Å
686	G	93.8	Very high	81.8	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-97.7	-90.5	-178.2	0	0	0	0	0	113	S798 R799 D871	G686-S798 WeakPolarHBondContact O-CA 3.35Å; G686-S798 PolarHBondContact O-OG 3.36Å; G686-R799 PolarHBondContact O-N 2.82Å; G686-D871 VanDerWaalsContact C-OD1 3.29Å; G686-D871 WeakPolarHBondContact CA-OD1 3.48Å; G686-D871 PolarHBondContact N-OD1 3.23Å; G686-D871 PolarHBondContact N-OD2 3.45Å; G686-D871 VanDerWaalsContact N-OD2 3.14Å
687	V	94.4	Very high	79.5	Confident	10 Å²	10	52.5 Å²	52.5	6%	0.061	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	145.2	-167.8	-66.4	0	0	0	0	113.8	P604 Q796 V797 D871	P604-V687 HydrophobicContact CB-CG1 4.34Å; P604-V687 HydrophobicContact CG-CG2 4.11Å; V687-Q796 HydrophobicContact CB-CG 4.39Å; V687-Q796 HydrophobicContact CG1-CG 4.36Å; V687-V797 CarbonylContact C-O 3.49Å; V687-V797 VanDerWaalsContact CA-O 3.26Å; V687-V797 WeakPolarHBondContact CA-O 3.42Å; V687-D871 PolarHBondContact N-OD1 3.08Å; V687-D871 PolarHBondContact O-N 2.95Å
688	V	96.5	Very high	76.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.8	164.6	-176.9	0	0	0	0	108.7	F684 Q796 V797 V868 S869 I870 F881 L883	F684-V688 HydrophobicContact CD1-CG2 4.3Å; F684-V688 HydrophobicContact CD2-CG2 3.93Å; F684-V688 HydrophobicContact CE1-CG2 4.1Å; F684-V688 HydrophobicContact CE2-CG2 3.71Å; F684-V688 HydrophobicContact CG-CG2 4.22Å; F684-V688 HydrophobicContact CZ-CG2 3.8Å; V688-Q796 CarbonylContact O-C 3.55Å; V688-Q796 VanDerWaalsContact O-CA 3.26Å; V688-Q796 WeakPolarHBondContact O-CA 3.16Å; V688-V797 PolarHBondContact N-O 2.84Å; V688-V797 PolarHBondContact O-N 3.16Å; V688-V868 HydrophobicContact CG1-CG1 3.7Å; V688-S869 CarbonylContact C-O 3.54Å; V688-S869 VanDerWaalsContact CA-O 3.24Å; V688-S869 WeakPolarHBondContact CA-O 3.49Å; V688-I870 HydrophobicContact CG1-CG1 4.09Å; V688-I870 HydrophobicContact CG2-CG1 4.12Å; V688-I870 HydrophobicContact CG2-CG2 4.33Å; V688-F881 HydrophobicContact CG1-CE2 4.12Å; V688-L883 HydrophobicContact CB-CD1 4.18Å; V688-L883 HydrophobicContact CG1-CD1 4.44Å; V688-L883 HydrophobicContact CG1-CD2 4.37Å; V688-L883 HydrophobicContact CG2-CD1 4.14Å; V688-L883 HydrophobicContact CG2-CD2 3.92Å
689	K	94.4	Very high	74.1	Confident	68 Å²	68	57.7 Å²	57.7	30%	0.296	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.1	-178.4	-59	-170.5	-175	-166.8	0	113	I693 L795 Q796 V868 S869	K689-I693 HydrophobicContact CB-CG1 4.4Å; K689-L795 CarbonylContact C-O 3.55Å; K689-L795 WeakPolarHBondContact CA-O 3.34Å; K689-Q796 HydrophobicContact CG-CB 4.4Å; K689-Q796 HydrophobicContact CG-CG 4.12Å; K689-V868 CarbonylContact O-C 3.54Å; K689-V868 WeakPolarHBondContact O-CA 3.26Å; K689-S869 PolarHBondContact N-O 3.04Å; K689-S869 PolarHBondContact O-N 2.81Å
690	V	92.8	Very high	71.1	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.012	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	146.9	174.3	-175.7	0	0	0	0	109.5	I759 L761 S794 L795 L866 V868 F881	V690-I759 HydrophobicContact CG1-CD1 4.39Å; V690-L761 HydrophobicContact CG1-CD1 4.26Å; V690-S794 CarbonylContact O-C 3.57Å; V690-S794 WeakPolarHBondContact O-CA 3.39Å; V690-L795 PolarHBondContact N-O 3.43Å; V690-L795 PolarHBondContact O-N 2.8Å; V690-L866 HydrophobicContact CG1-CD2 4.46Å; V690-V868 HydrophobicContact CG2-CB 4.36Å; V690-V868 HydrophobicContact CG2-CG1 4.06Å; V690-V868 HydrophobicContact CG2-CG2 4.03Å; V690-F881 HydrophobicContact CG2-CE1 3.61Å; V690-F881 HydrophobicContact CG2-CZ 3.65Å
691	G	85.6	Confident	68	Low	22 Å²	22	59.1 Å²	59.1	23%	0.227	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	100	-136.8	-177.4	0	0	0	0	0	111.5	I693 R793	G691-I693 VanDerWaalsContact C-N 3.3Å; G691-I693 PolarHBondContact O-N 2.95Å; G691-R793 WeakPolarHBondContact CA-O 3.49Å
692	L	72.6	Confident	64.7	Low	90 Å²	90	62.1 Å²	62.1	47%	0.471	40%	0.397	S	S	.	.			trans	-64.7	90.4	172.1	-173.1	69.6	0	0	0	109.9	E694 R793	L692-E694 HydrophobicContact CD2-CG 4.25Å; L692-E694 HydrophobicContact CG-CG 4.16Å; L692-E694 PolarHBondContact O-N 3.01Å; L692-R793 PolarHBondContact N-O 2.94Å
693	I	59.1	Low	61.8	Low	33 Å²	33	66.7 Å²	66.7	17%	0.169	43%	0.428	C	S	.	.			trans	-81.7	98.7	165.1	-60.6	164.6	0	0	0	105.7	K689 G691 S695 K867	K689-I693 HydrophobicContact CB-CG1 4.4Å; G691-I693 VanDerWaalsContact C-N 3.3Å; G691-I693 PolarHBondContact O-N 2.95Å; I693-S695 PolarHBondContact O-N 2.81Å; I693-K867 HydrophobicContact CD1-CD 4.12Å; I693-K867 HydrophobicContact CD1-CG 3.93Å
694	E	48.6	Very low	58.6	Low	156 Å²	156	74.9 Å²	74.9	73%	0.729	47%	0.465	S	S	*	.			trans	-64.7	98	170.7	-69	173.5	162	0	0	109.2	L692	L692-E694 HydrophobicContact CD2-CG 4.25Å; L692-E694 HydrophobicContact CG-CG 4.16Å; L692-E694 PolarHBondContact O-N 3.01Å
695	S	31.8	Very low	55.4	Low	92 Å²	92	83.1 Å²	83.1	64%	0.643	50%	0.504	S	S	*	.			trans	-63.2	129.9	158.5	48.9	0	0	0	0	108.4	I693 S697	I693-S695 PolarHBondContact O-N 2.81Å; S695-S697 PolarHBondContact O-N 2.86Å
696	A	30.9	Very low	52.2	Low	113 Å²	113	87 Å²	87	93%	0.934	54%	0.544	S	S	*	.			trans	-72	89.3	-174.9	0	0	0	0	0	111.7
697	S	27.2	Very low	48.9	Very low	90 Å²	90	93.8 Å²	93.8	63%	0.629	59%	0.585	S	S	*	*			trans	-124.5	98.6	175.5	57.4	0	0	0	0	110.9	S695	S695-S697 PolarHBondContact O-N 2.86Å
698	S	26	Very low	45.7	Very low	95 Å²	95	96.2 Å²	96.2	66%	0.664	61%	0.612	S	S	*	*			trans	36.5	105.4	157.4	59.7	0	0	0	0	119.2
699	P	33.2	Very low	42.4	Very low	138 Å²	138	103.2 Å²	103.2	90%	0.896	65%	0.654	S	S	*	*			trans	-73	122.4	152.4	30.6	-29.8	0	0	0	109.8
700	T	30.6	Very low	39	Very low	136 Å²	136	105.3 Å²	105.3	83%	0.834	68%	0.678	S	S	*	*			trans	-94.7	118.4	171	51.2	0	0	0	0	110.7
701	G	26.9	Very low	36.3	Very low	77 Å²	77	113.8 Å²	113.8	79%	0.794	72%	0.722	S	S	*	*	S	Bend	trans	124.7	81.8	168.1	0	0	0	0	0	115.3
702	D	25.8	Very low	33.5	Very low	162 Å²	162	117.2 Å²	117.2	87%	0.866	75%	0.748	S	S	*	*			trans	49.8	151.3	161.4	-79.7	-32.1	0	0	0	122.5
703	P	38.2	Very low	31.6	Very low	109 Å²	109	119.8 Å²	119.8	71%	0.708	77%	0.767	S	S	*	*			trans	-94.9	163	175	39.3	-34.8	0	0	0	113
704	E	28.8	Very low	30.2	Very low	178 Å²	178	124 Å²	124	83%	0.832	80%	0.796	S	S	*	*			trans	-163.6	162.7	140.1	-98.6	-72.5	73.4	0	0	107.7
705	E	29.8	Very low	29.1	Very low	174 Å²	174	122.2 Å²	122.2	81%	0.813	80%	0.802	S	S	*	*			trans	1.5	126.4	-178.7	-61.3	-160.6	118.9	0	0	121.4
706	G	28.5	Very low	29	Very low	81 Å²	81	124 Å²	124	84%	0.835	81%	0.809	S	S	*	*			trans	-101.6	126.8	170.5	0	0	0	0	0	114
707	V	26.2	Very low	28.9	Very low	143 Å²	143	124.1 Å²	124.1	87%	0.867	80%	0.803	S	S	*	*			trans	-127.2	145.2	169.9	-178.9	0	0	0	0	110.5
708	G	25.7	Very low	29.4	Very low	62 Å²	62	125.6 Å²	125.6	64%	0.639	81%	0.81	S	S	*	*			trans	-71.4	152.6	-178.9	0	0	0	0	0	114	S710	G708-S710 PolarHBondContact O-N 2.81Å
709	V	28.7	Very low	29.6	Very low	146 Å²	146	127.3 Å²	127.3	89%	0.885	82%	0.819	S	S	*	*			trans	-62.4	118.6	179.1	179.7	0	0	0	0	110.7
710	S	23.2	Very low	29.4	Very low	112 Å²	112	125 Å²	125	78%	0.783	81%	0.807	S	S	*	*			trans	-144.7	139.5	167	-78.8	0	0	0	0	109.9	G708 A712	G708-S710 PolarHBondContact O-N 2.81Å; S710-A712 PolarHBondContact O-N 2.89Å
711	L	34.2	Very low	29.4	Very low	181 Å²	181	127.4 Å²	127.4	95%	0.948	81%	0.808	S	S	*	*			trans	-88	108.1	-170.7	-71.2	164	0	0	0	111.2
712	A	26.7	Very low	29.4	Very low	93 Å²	93	127.3 Å²	127.3	77%	0.769	81%	0.807	S	S	*	*			trans	-142.3	142.2	166.9	0	0	0	0	0	110.4	S710	S710-A712 PolarHBondContact O-N 2.89Å
713	V	34.7	Very low	29.5	Very low	145 Å²	145	125.4 Å²	125.4	88%	0.879	81%	0.806	S	S	*	*			trans	-103.9	122.5	-177.3	180	0	0	0	0	109.9
714	P	29.1	Very low	29.7	Very low	120 Å²	120	125.8 Å²	125.8	78%	0.779	81%	0.808	S	S	*	*			trans	-79.3	147.3	169.3	-10.5	27.7	0	0	0	112
715	S	25.4	Very low	29.8	Very low	120 Å²	120	123.8 Å²	123.8	84%	0.839	81%	0.809	S	S	*	*			trans	-96.8	177.8	176.7	-163.6	0	0	0	0	112.6
716	T	29.8	Very low	29.7	Very low	129 Å²	129	118.5 Å²	118.5	79%	0.791	80%	0.801	S	S	*	*			trans	-91.1	123.6	-167.9	54.2	0	0	0	0	115.1
717	S	27.8	Very low	29.9	Very low	115 Å²	115	123.5 Å²	123.5	80%	0.804	81%	0.805	S	S	*	*			trans	179.2	148.9	140.3	47.8	0	0	0	0	112.4
718	P	37.8	Very low	30.2	Very low	122 Å²	122	123.4 Å²	123.4	79%	0.792	80%	0.798	S	S	*	*			trans	-109.6	154.2	179.9	39.2	-32.1	0	0	0	114.8
719	P	30.1	Very low	30.5	Very low	130 Å²	130	128.2 Å²	128.2	84%	0.844	80%	0.801	S	S	*	*			trans	-103.1	166.6	155.6	36.4	-28.9	0	0	0	112.4
720	S	28.7	Very low	30.6	Very low	91 Å²	91	128.2 Å²	128.2	64%	0.636	79%	0.792	S	S	*	*			trans	-129.6	179.1	-170.1	49.3	0	0	0	0	113.9
721	H	30.8	Very low	30.9	Very low	185 Å²	185	127.5 Å²	127.5	86%	0.856	79%	0.793	S	S	*	*			trans	77.3	143.3	176.5	-43.2	-79.7	0	0	0	115.5
722	G	27.6	Very low	30.7	Very low	75 Å²	75	123.3 Å²	123.3	77%	0.773	78%	0.784	S	S	*	*			cis	-172.6	163.9	-5.6	0	0	0	0	0	113.5
723	S	28	Very low	30.9	Very low	122 Å²	122	125.6 Å²	125.6	85%	0.853	79%	0.789	S	S	*	*			trans	-100.2	164.9	175.4	-38.1	0	0	0	0	110.5
724	P	41.8	Very low	31	Very low	117 Å²	117	124.3 Å²	124.3	76%	0.76	78%	0.784	S	S	*	*				-147	-165.2	64.2	43.8	-23.3	0	0	0	112.8
725	T	30.8	Very low	31.3	Very low	137 Å²	137	124.9 Å²	124.9	84%	0.84	79%	0.787	S	S	*	*			cis	-156.6	164	-2.3	-14.7	0	0	0	0	110.3
726	G	28.9	Very low	31.5	Very low	63 Å²	63	124.8 Å²	124.8	65%	0.649	79%	0.787	S	S	*	*			trans	113.8	111.7	159.4	0	0	0	0	0	114.2
727	M	31.4	Very low	31.7	Very low	185 Å²	185	124 Å²	124	91%	0.911	79%	0.786	S	S	*	*				72.6	126.2	61.6	-70.9	-158.9	176.1	0	0	112.9
728	I	32.5	Very low	32.3	Very low	141 Å²	141	124.5 Å²	124.5	72%	0.723	79%	0.787	S	S	*	*			cis	-151.8	143.8	14.9	-43.2	170.3	0	0	0	111.2
729	K	32	Very low	31.9	Very low	163 Å²	163	124.4 Å²	124.4	71%	0.709	79%	0.789	S	S	*	*			trans	53.7	158.9	147.8	-87.7	175.4	169.2	-116.4	0	121.3
730	E	31.2	Very low	32	Very low	146 Å²	146	127.7 Å²	127.7	68%	0.682	80%	0.795	S	S	*	*			cis	-160	166.3	-11	-140.3	152.8	-159	0	0	111.5
731	A	29.4	Very low	32	Very low	98 Å²	98	126.9 Å²	126.9	81%	0.81	80%	0.802	S	S	*	*			trans	54.6	135.5	164.1	0	0	0	0	0	120.5
732	A	30.9	Very low	31.8	Very low	93 Å²	93	123.5 Å²	123.5	77%	0.769	80%	0.799	S	S	*	*			cis	109.5	87	5.6	0	0	0	0	0	117.6
733	T	30.6	Very low	31.8	Very low	141 Å²	141	125.7 Å²	125.7	87%	0.865	80%	0.797	S	S	*	*			trans	-169.8	137.9	144.7	32.9	0	0	0	0	111.4
734	P	35.5	Very low	32	Very low	118 Å²	118	126.7 Å²	126.7	77%	0.766	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-103.5	147.2	166.3	36.9	-29.9	0	0	0	113
735	P	37.1	Very low	31.4	Very low	131 Å²	131	127 Å²	127	85%	0.851	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-79.8	154.5	171.3	32.4	-33.8	0	0	0	113.1
736	S	28	Very low	31.2	Very low	119 Å²	119	126.4 Å²	126.4	83%	0.832	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-89.3	158.6	-164.9	-53.8	0	0	0	0	116
737	S	34.1	Very low	31.5	Very low	112 Å²	112	132.7 Å²	132.7	78%	0.783	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-77.3	146.9	166.7	-43.6	0	0	0	0	112.5
738	P	40.3	Very low	31.2	Very low	125 Å²	125	127.6 Å²	127.6	81%	0.812	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-87.5	156.9	162.2	34.8	-32.2	0	0	0	112
739	S	29.3	Very low	30.9	Very low	121 Å²	121	126.2 Å²	126.2	85%	0.846	80%	0.798	S	S	*	*			trans	-115.5	168.3	-178.4	-67.9	0	0	0	0	112.5
740	M	32.8	Very low	31	Very low	198 Å²	198	124.4 Å²	124.4	98%	0.975	80%	0.803	S	S	*	*			trans	-57.8	141.1	-178.4	-69.3	-75.2	-155.4	0	0	114.6
741	G	29.1	Very low	30.9	Very low	75 Å²	75	122.9 Å²	122.9	77%	0.773	81%	0.809	S	S	*	*			trans	-147.5	156.1	163.8	0	0	0	0	0	109
742	S	27.6	Very low	31	Very low	114 Å²	114	124.7 Å²	124.7	80%	0.797	80%	0.802	S	S	*	*			trans	-136.7	161.9	-157	-161.9	0	0	0	0	116.1
743	V	27.2	Very low	31	Very low	120 Å²	120	125.3 Å²	125.3	73%	0.727	80%	0.798	S	S	*	*			trans	64.9	113.8	169.6	-134.6	0	0	0	0	115.6
744	L	31.2	Very low	31.2	Very low	144 Å²	144	128.3 Å²	128.3	75%	0.754	80%	0.802	S	S	*	*				-172.4	128.9	75.7	-90.8	165.7	0	0	0	113.8
745	T	29.2	Very low	31.4	Very low	122 Å²	122	125 Å²	125	75%	0.748	79%	0.789	S	S	*	*			trans	59.6	151.5	144	58	0	0	0	0	123.8
746	V	27.6	Very low	32.3	Very low	126 Å²	126	122 Å²	122	76%	0.764	77%	0.769	S	S	*	*			trans	84.2	93.6	164.3	-166.1	0	0	0	0	118.3
747	Q	34.5	Very low	34.3	Very low	194 Å²	194	121.5 Å²	121.5	91%	0.907	76%	0.757	S	S	*	*			trans	59.7	86.3	132.4	-151.3	167.1	15.6	0	0	119
748	G	24.9	Very low	36.4	Very low	78 Å²	78	117.4 Å²	117.4	80%	0.804	73%	0.729	S	S	*	*			trans	-155.2	145.4	167.4	0	0	0	0	0	112.9
749	S	27.5	Very low	38.7	Very low	112 Å²	112	113.7 Å²	113.7	78%	0.783	70%	0.702	S	S	*	*			trans	-67.3	151.6	178.8	-58.5	0	0	0	0	112.5	S751	S749-S751 PolarHBondContact O-N 2.8Å
750	P	32.3	Very low	41.6	Very low	125 Å²	125	109.2 Å²	109.2	81%	0.812	68%	0.675	S	S	*	*			trans	-71.4	98	-179.8	29	-34.9	0	0	0	112	M752	P750-M752 PolarHBondContact O-N 3.03Å
751	S	29.6	Very low	44.5	Very low	115 Å²	115	99.9 Å²	99.9	80%	0.804	63%	0.629	S	S	*	*			trans	-73.9	112.5	165.9	42.5	0	0	0	0	109.9	S749	S749-S751 PolarHBondContact O-N 2.8Å
752	M	31.7	Very low	47.6	Very low	136 Å²	136	98.7 Å²	98.7	67%	0.67	60%	0.603	S	S	*	*			trans	-71.1	130.3	179.5	-71.3	-69.5	-69.4	0	0	111	P750	P750-M752 PolarHBondContact O-N 3.03Å
753	P	32	Very low	50.8	Low	106 Å²	106	93.2 Å²	93.2	69%	0.688	57%	0.565	S	S	*	*			trans	-68.3	158.2	174.4	29.8	-34.9	0	0	0	111.2	G755	P753-G755 VanDerWaalsContact C-N 3.28Å; P753-G755 PolarHBondContact O-N 3.35Å
754	H	34.8	Very low	54.1	Low	203 Å²	203	88.3 Å²	88.3	94%	0.94	54%	0.535	S	S	*	.	S	Bend	trans	-76.4	69.1	-170.6	-67.5	17.1	0	0	0	113.7
755	G	39.7	Very low	57.2	Low	49 Å²	49	82.4 Å²	82.4	51%	0.505	50%	0.503	S	S	.	.			trans	-114.2	139.5	166.1	0	0	0	0	0	111	P753 D757	P753-G755 VanDerWaalsContact C-N 3.28Å; P753-G755 PolarHBondContact O-N 3.35Å; G755-D757 VanDerWaalsContact C-N 3.27Å; G755-D757 PolarHBondContact O-N 3.1Å
756	V	54.3	Low	60.3	Low	69 Å²	69	79.3 Å²	79.3	42%	0.418	48%	0.477	S	S	.	.			trans	-78.4	80.4	177.5	-168.4	0	0	0	0	110.3	R793 K822	V756-R793 VanDerWaalsContact CG1-NH1 3.32Å; V756-K822 PolarHBondContact O-NZ 2.91Å
757	D	70.1	Confident	63.3	Low	108 Å²	108	77 Å²	77	58%	0.578	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-81.6	136.5	178.5	-80.4	-29	0	0	0	112.7	G755 K822	G755-D757 VanDerWaalsContact C-N 3.27Å; G755-D757 PolarHBondContact O-N 3.1Å; D757-K822 IonicContact OD1-NZ 2.75Å
758	A	79.3	Confident	65.6	Low	25 Å²	25	69.8 Å²	69.8	21%	0.207	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-94.3	119.5	-174.9	0	0	0	0	0	109.8	G760 A791 F792 K822	A758-G760 PolarHBondContact O-N 2.84Å; A758-A791 HydrophobicContact CB-CB 3.97Å; A758-F792 CarbonylContact C-O 3.55Å; A758-F792 WeakPolarHBondContact CA-O 3.19Å; A758-K822 HydrophobicContact CB-CB 3.58Å; A758-K822 HydrophobicContact CB-CD 3.61Å; A758-K822 HydrophobicContact CB-CG 4.23Å
759	I	87.3	Confident	67.5	Low	48 Å²	48	71.8 Å²	71.8	25%	0.246	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	125.3	-176.5	-50.7	-174	0	0	0	109.1	V690 L761 A791 F792 L866	V690-I759 HydrophobicContact CG1-CD1 4.39Å; I759-L761 HydrophobicContact CB-CD2 4.38Å; I759-L761 HydrophobicContact CB-CG 4.36Å; I759-L761 HydrophobicContact CG2-CD2 3.58Å; I759-L761 HydrophobicContact CG2-CG 4.04Å; I759-L761 PolarHBondContact O-N 2.75Å; I759-A791 WeakPolarHBondContact O-CA 3.08Å; I759-F792 PolarHBondContact N-O 3.2Å; I759-F792 PolarHBondContact O-N 2.85Å; I759-L866 HydrophobicContact CG2-CD2 3.99Å
760	G	90.7	Very high	69	Low	26 Å²	26	72.8 Å²	72.8	27%	0.268	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	104.3	171.8	0	0	0	0	0	110.2	A758 K860	A758-G760 PolarHBondContact O-N 2.84Å; G760-K860 PolarHBondContact O-N 3.14Å
761	L	93.5	Very high	69.5	Low	2 Å²	2	71.5 Å²	71.5	1%	0.01	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	150.7	179.2	-54.9	171.8	0	0	0	111.7	V690 I759 V763 K789 S790 F792 L795 S858 K860 L866	V690-L761 HydrophobicContact CG1-CD1 4.26Å; I759-L761 HydrophobicContact CB-CD2 4.38Å; I759-L761 HydrophobicContact CB-CG 4.36Å; I759-L761 HydrophobicContact CG2-CD2 3.58Å; I759-L761 HydrophobicContact CG2-CG 4.04Å; I759-L761 PolarHBondContact O-N 2.75Å; L761-V763 HydrophobicContact CB-CG2 4.22Å; L761-K789 WeakPolarHBondContact O-CA 3.13Å; L761-S790 PolarHBondContact N-O 2.85Å; L761-F792 HydrophobicContact CB-CD2 3.67Å; L761-F792 HydrophobicContact CB-CE2 3.78Å; L761-F792 HydrophobicContact CD1-CB 4.36Å; L761-F792 HydrophobicContact CD1-CD2 3.89Å; L761-F792 HydrophobicContact CD1-CG 4.36Å; L761-F792 HydrophobicContact CG-CD2 3.95Å; L761-L795 HydrophobicContact CD1-CB 4.34Å; L761-L795 HydrophobicContact CD1-CD1 4.18Å; L761-S858 CarbonylContact C-O 3.56Å; L761-S858 WeakPolarHBondContact CA-O 3.46Å; L761-K860 VanDerWaalsContact O-CE 3.27Å; L761-K860 WeakPolarHBondContact O-CE 3.37Å; L761-L866 HydrophobicContact CD2-CD1 4.23Å; L761-L866 HydrophobicContact CD2-CD2 3.6Å
762	Q	94.1	Very high	69.7	Low	50 Å²	50	71.3 Å²	71.3	23%	0.234	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.5	154.9	170.2	170.4	-25.5	0	0	107.9	D764 T787 L788 K789 C857 S858	Q762-D764 PolarHBondContact NE2-OD1 3.1Å; Q762-D764 PolarHBondContact NE2-OD2 2.92Å; Q762-D764 VanDerWaalsContact NE2-OD2 3.14Å; Q762-T787 HydrophobicContact CG-CG2 4.45Å; Q762-L788 WeakPolarHBondContact CA-O 3.12Å; Q762-K789 HydrophobicContact CB-CD 4.49Å; Q762-K789 HydrophobicContact CB-CG 4.26Å; Q762-K789 VanDerWaalsContact CD-CE 3.42Å; Q762-K789 HydrophobicContact CG-CD 4.27Å; Q762-K789 HydrophobicContact CG-CG 4.11Å; Q762-C857 WeakPolarHBondContact O-CA 3.49Å; Q762-S858 PolarHBondContact N-O 3.47Å; Q762-S858 PolarHBondContact O-N 2.81Å
763	V	95.6	Very high	70.3	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	109.5	178.7	-169.8	0	0	0	0	108.2	L761 T787 L788 F792 L795 M817 L855 I856 C857	L761-V763 HydrophobicContact CB-CG2 4.22Å; V763-T787 CarbonylContact O-C 3.58Å; V763-T787 WeakPolarHBondContact O-CA 3.25Å; V763-L788 HydrophobicContact CB-CB 4.39Å; V763-L788 PolarHBondContact N-O 2.92Å; V763-L788 PolarHBondContact O-N 2.8Å; V763-F792 HydrophobicContact CG2-CE2 4.42Å; V763-F792 HydrophobicContact CG2-CZ 4.47Å; V763-L795 HydrophobicContact CG1-CD1 4.33Å; V763-L795 HydrophobicContact CG2-CD1 3.53Å; V763-M817 HydrophobicContact CG1-CE 4.29Å; V763-M817 HydrophobicContact CG1-SD 3.91Å; V763-L855 HydrophobicContact CG1-CD1 3.62Å; V763-L855 HydrophobicContact CG1-CD2 4.24Å; V763-L855 HydrophobicContact CG1-CG 3.8Å; V763-I856 CarbonylContact C-O 3.55Å; V763-I856 WeakPolarHBondContact CA-O 3.26Å; V763-C857 HydrophobicContact CG2-CB 4.44Å
764	D	96.2	Very high	70.6	Confident	16 Å²	16	80.4 Å²	80.4	9%	0.086	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.6	175.4	-73.3	-3.7	0	0	0	108.2	Q762 W766 K785 N786 T787 L855 I856	Q762-D764 PolarHBondContact NE2-OD1 3.1Å; Q762-D764 PolarHBondContact NE2-OD2 2.92Å; Q762-D764 VanDerWaalsContact NE2-OD2 3.14Å; D764-W766 HydrophobicContact CB-CH2 4.43Å; D764-W766 HydrophobicContact CB-CZ3 4.34Å; D764-K785 VanDerWaalsContact CB-CE 3.5Å; D764-K785 WeakPolarHBondContact OD2-CE 3.48Å; D764-K785 IonicContact OD2-NZ 2.71Å; D764-K785 PolarHBondContact OD2-NZ 3.18Å; D764-N786 CarbonylContact C-O 3.53Å; D764-N786 WeakPolarHBondContact CA-O 3.32Å; D764-T787 WeakPolarHBondContact OD1-CB 3.3Å; D764-T787 WeakPolarHBondContact OD1-CG2 3.49Å; D764-T787 PolarHBondContact OD1-OG1 3.49Å; D764-L855 CarbonylContact O-C 3.54Å; D764-L855 WeakPolarHBondContact O-CA 3.36Å; D764-I856 HydrophobicContact CB-CB 4.41Å; D764-I856 PolarHBondContact N-O 2.89Å; D764-I856 PolarHBondContact O-N 3.35Å
765	Y	95.8	Very high	70.8	Confident	21 Å²	21	82.4 Å²	82.4	8%	0.082	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.5	-174.4	69.8	-79.8	0	0	0	112.9	L767 N786 L788 M817 I849 I852 R854	Y765-L767 HydrophobicContact CD2-CD2 4.17Å; Y765-L767 HydrophobicContact CE2-CD2 3.99Å; Y765-L767 HydrophobicContact CE2-CG 4.36Å; Y765-N786 HydrophobicContact CD1-CB 3.92Å; Y765-N786 HydrophobicContact CD2-CB 4.15Å; Y765-N786 HydrophobicContact CE1-CB 3.41Å; Y765-N786 VanDerWaalsContact CE1-CB 3.41Å; Y765-N786 HydrophobicContact CE2-CB 3.69Å; Y765-N786 HydrophobicContact CG-CB 4.26Å; Y765-N786 PolarHBondContact N-O 3.42Å; Y765-N786 PolarHBondContact O-N 3.22Å; Y765-L788 HydrophobicContact CE1-CD1 4.09Å; Y765-L788 HydrophobicContact CE1-CG 4.03Å; Y765-M817 HydrophobicContact CD1-CE 4.43Å; Y765-I849 HydrophobicContact CE2-CG2 3.76Å; Y765-I852 HydrophobicContact CD2-CD1 4.19Å; Y765-I852 HydrophobicContact CD2-CG1 4.1Å; Y765-R854 CarbonylContact C-O 3.57Å; Y765-R854 WeakPolarHBondContact CA-O 3.24Å
766	W	94	Very high	70.5	Confident	57 Å²	57	89.5 Å²	89.5	22%	0.216	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.6	179.8	-68.7	-103.2	0	0	0	109	D764 K785 I852 S853 R854 I856	D764-W766 HydrophobicContact CB-CH2 4.43Å; D764-W766 HydrophobicContact CB-CZ3 4.34Å; W766-K785 HydrophobicContact CD2-CG 4.43Å; W766-K785 HydrophobicContact CH2-CD 4.15Å; W766-K785 HydrophobicContact CH2-CG 4.19Å; W766-K785 HydrophobicContact CZ2-CB 4.18Å; W766-K785 HydrophobicContact CZ2-CD 3.69Å; W766-K785 HydrophobicContact CZ2-CG 3.67Å; W766-I852 CarbonylContact O-C 3.49Å; W766-I852 WeakPolarHBondContact O-CA 3.43Å; W766-S853 PolarHBondContact O-N 2.87Å; W766-S853 PolarHBondContact O-OG 3.04Å; W766-R854 HydrophobicContact CB-CB 4.45Å; W766-R854 HydrophobicContact CE3-CB 4.1Å; W766-R854 HydrophobicContact CE3-CG 4.23Å; W766-R854 PolarHBondContact N-O 2.81Å; W766-I856 HydrophobicContact CH2-CD1 3.96Å; W766-I856 HydrophobicContact CH2-CG1 4.47Å; W766-I856 HydrophobicContact CZ3-CD1 4Å; W766-I856 HydrophobicContact CZ3-CG1 4.01Å
767	L	90.6	Very high	70.1	Confident	76 Å²	76	89.8 Å²	89.8	40%	0.398	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	148.9	172	-60.1	178.4	0	0	0	109.6	Y765 I849 E850 G851 I852	Y765-L767 HydrophobicContact CD2-CD2 4.17Å; Y765-L767 HydrophobicContact CE2-CD2 3.99Å; Y765-L767 HydrophobicContact CE2-CG 4.36Å; L767-I849 HydrophobicContact CD2-CG2 4.38Å; L767-E850 WeakPolarHBondContact CD2-O 3.4Å; L767-G851 CarbonylContact C-O 3.49Å; L767-G851 WeakPolarHBondContact CA-O 3.21Å; L767-I852 HydrophobicContact CD2-CG1 4.05Å
768	A	84.1	Confident	68.4	Low	43 Å²	43	91.2 Å²	91.2	36%	0.355	48%	0.479	S	S	.	.			trans	-66.3	140.2	167.5	0	0	0	0	0	109.9	L770 T814 G851	A768-L770 PolarHBondContact O-N 2.9Å; A768-L770 VanDerWaalsContact O-N 3.08Å; A768-T814 HydrophobicContact CB-CG2 3.76Å; A768-G851 PolarHBondContact N-O 2.7Å
769	S	65.3	Low	67	Low	121 Å²	121	102.1 Å²	102.1	85%	0.846	51%	0.514	S	S	*	.			trans	-72.4	104	174.8	-166.8	0	0	0	0	109.2	A771	S769-A771 PolarHBondContact O-N 3.07Å; S769-A771 VanDerWaalsContact O-N 3.16Å
770	L	57.4	Low	64.8	Low	133 Å²	133	108.5 Å²	108.5	70%	0.696	54%	0.535	S	S	*	.			trans	-79.5	98.2	-179.4	-142.4	170	0	0	0	108.4	A768 D772	A768-L770 PolarHBondContact O-N 2.9Å; A768-L770 VanDerWaalsContact O-N 3.08Å; L770-D772 VanDerWaalsContact C-N 3.31Å; L770-D772 PolarHBondContact O-N 2.94Å
771	A	42.6	Very low	62.4	Low	98 Å²	98	114.6 Å²	114.6	81%	0.81	56%	0.562	S	S	*	*			trans	-79.6	66.7	-167.7	0	0	0	0	0	113.5	S769	S769-A771 PolarHBondContact O-N 3.07Å; S769-A771 VanDerWaalsContact O-N 3.16Å
772	D	35.6	Very low	60.1	Low	111 Å²	111	121.6 Å²	121.6	59%	0.594	61%	0.605	S	S	*	*	S	Bend	trans	-148.6	136.9	162.3	-143.9	-16.1	0	0	0	114.3	L770	L770-D772 VanDerWaalsContact C-N 3.31Å; L770-D772 PolarHBondContact O-N 2.94Å
773	K	44.2	Very low	58.4	Low	175 Å²	175	121.3 Å²	121.3	76%	0.761	62%	0.615	S	S	*	*			trans	32.1	88.9	167.5	-68.4	147.3	-164.5	153.4	0	119.7
774	R	37.1	Very low	57.5	Low	257 Å²	257	125.4 Å²	125.4	97%	0.97	64%	0.643	S	S	*	*			trans	-134.8	163.1	135.1	-71.8	-159.6	178.6	-156.1	-2.2	111.1
775	R	39.4	Very low	57.2	Low	246 Å²	246	129.9 Å²	129.9	93%	0.928	66%	0.662	S	S	*	*			trans	-66	150.4	-164.7	-67.3	-174.7	179.8	-172.1	-0.5	113.5
776	E	33.7	Very low	57.1	Low	197 Å²	197	131.6 Å²	131.6	92%	0.921	67%	0.673	S	S	*	*	S	Bend	trans	-41.7	143.2	155.9	179.6	176.1	-150.8	0	0	112.7
777	G	45.5	Very low	57.1	Low	76 Å²	76	132 Å²	132	78%	0.784	68%	0.681	S	S	*	*			trans	130.6	6.9	166.1	0	0	0	0	0	118.7
778	E	35.6	Very low	57.2	Low	137 Å²	137	130.4 Å²	130.4	64%	0.64	67%	0.673	S	S	*	*			trans	-148.3	123.1	174.3	-154.1	-179.3	-168.1	0	0	113	R780	E778-R780 VanDerWaalsContact CD-NE 3.27Å; E778-R780 HydrophobicContact CG-CG 4.22Å; E778-R780 PolarHBondContact O-N 3.3Å; E778-R780 IonicContact OE1-CZ 3.52Å; E778-R780 IonicContact OE1-NE 2.76Å; E778-R780 PolarHBondContact OE1-NE 3.47Å; E778-R780 IonicContact OE1-NH2 3.66Å; E778-R780 IonicContact OE2-CZ 2.76Å; E778-R780 IonicContact OE2-NE 3.68Å; E778-R780 PolarHBondContact OE2-NE 3.02Å; E778-R780 IonicContact OE2-NH2 3.34Å; E778-R780 PolarHBondContact OE2-NH2 3.28Å
779	R	48.4	Very low	57.5	Low	254 Å²	254	134.1 Å²	134.1	96%	0.958	68%	0.681	S	S	*	*			trans	-80.9	111.7	167.7	-69.2	-177.1	-179.6	179.4	0.1	108.3
780	R	41.8	Very low	58.6	Low	182 Å²	182	130.4 Å²	130.4	69%	0.687	66%	0.655	S	S	*	*			trans	-122.6	144	168.2	-74	-163.9	-126.8	179.6	-3.4	111.2	E778	E778-R780 VanDerWaalsContact CD-NE 3.27Å; E778-R780 HydrophobicContact CG-CG 4.22Å; E778-R780 PolarHBondContact O-N 3.3Å; E778-R780 IonicContact OE1-CZ 3.52Å; E778-R780 IonicContact OE1-NE 2.76Å; E778-R780 PolarHBondContact OE1-NE 3.47Å; E778-R780 IonicContact OE1-NH2 3.66Å; E778-R780 IonicContact OE2-CZ 2.76Å; E778-R780 IonicContact OE2-NE 3.68Å; E778-R780 PolarHBondContact OE2-NE 3.02Å; E778-R780 IonicContact OE2-NH2 3.34Å; E778-R780 PolarHBondContact OE2-NH2 3.28Å
781	D	39.8	Very low	60.1	Low	155 Å²	155	125.8 Å²	125.8	83%	0.829	64%	0.636	S	S	*	*			trans	-66.9	160.2	-173.3	-69	-66	0	0	0	115	G783	D781-G783 PolarHBondContact O-N 3.36Å
782	T	44.9	Very low	62.3	Low	148 Å²	148	121.3 Å²	121.3	91%	0.908	60%	0.598	S	S	*	*	S	Bend	trans	-48.7	103.2	-179.9	-53.6	0	0	0	0	113.8
783	G	59.1	Low	64.8	Low	44 Å²	44	118.3 Å²	118.3	45%	0.454	58%	0.579	S	S	.	*	S	Bend	trans	70.3	91.1	161	0	0	0	0	0	115.2	D781 K785	D781-G783 PolarHBondContact O-N 3.36Å; G783-K785 PolarHBondContact O-N 3.1Å
784	C	76.6	Confident	67.1	Low	87 Å²	87	111.6 Å²	111.6	59%	0.588	55%	0.554	S	S	*	*			trans	-54.3	106.6	179.2	-62.4	0	0	0	0	113.2	N786	C784-N786 PolarHBondContact O-ND2 3.2Å
785	K	90.3	Very high	69.8	Low	109 Å²	109	99.4 Å²	99.4	47%	0.474	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	129.9	167	-176	-174	-179.7	-173.7	0	109.8	D764 W766 G783	D764-K785 VanDerWaalsContact CB-CE 3.5Å; D764-K785 WeakPolarHBondContact OD2-CE 3.48Å; D764-K785 IonicContact OD2-NZ 2.71Å; D764-K785 PolarHBondContact OD2-NZ 3.18Å; W766-K785 HydrophobicContact CD2-CG 4.43Å; W766-K785 HydrophobicContact CH2-CD 4.15Å; W766-K785 HydrophobicContact CH2-CG 4.19Å; W766-K785 HydrophobicContact CZ2-CB 4.18Å; W766-K785 HydrophobicContact CZ2-CD 3.69Å; W766-K785 HydrophobicContact CZ2-CG 3.67Å; G783-K785 PolarHBondContact O-N 3.1Å
786	N	94	Very high	72.4	Confident	58 Å²	58	90.8 Å²	90.8	31%	0.31	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	153.3	173.2	-70.5	-91.5	0	0	0	110	D764 Y765 C784	D764-N786 CarbonylContact C-O 3.53Å; D764-N786 WeakPolarHBondContact CA-O 3.32Å; Y765-N786 HydrophobicContact CD1-CB 3.92Å; Y765-N786 HydrophobicContact CD2-CB 4.15Å; Y765-N786 HydrophobicContact CE1-CB 3.41Å; Y765-N786 VanDerWaalsContact CE1-CB 3.41Å; Y765-N786 HydrophobicContact CE2-CB 3.69Å; Y765-N786 HydrophobicContact CG-CB 4.26Å; Y765-N786 PolarHBondContact N-O 3.42Å; Y765-N786 PolarHBondContact O-N 3.22Å; C784-N786 PolarHBondContact O-ND2 3.2Å
787	T	93.6	Very high	75.4	Confident	64 Å²	64	81.4 Å²	81.4	39%	0.393	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	124.9	-176.3	-72.8	0	0	0	0	111.1	Q762 V763 D764 K789	Q762-T787 HydrophobicContact CG-CG2 4.45Å; V763-T787 CarbonylContact O-C 3.58Å; V763-T787 WeakPolarHBondContact O-CA 3.25Å; D764-T787 WeakPolarHBondContact OD1-CB 3.3Å; D764-T787 WeakPolarHBondContact OD1-CG2 3.49Å; D764-T787 PolarHBondContact OD1-OG1 3.49Å; T787-K789 HydrophobicContact CG2-CD 4.19Å; T787-K789 HydrophobicContact CG2-CG 3.74Å
788	L	92.2	Very high	77.7	Confident	43 Å²	43	78.9 Å²	78.9	23%	0.225	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.2	170.6	-67.1	168.5	0	0	0	110.1	Q762 V763 Y765 F792 M817 I849	Q762-L788 WeakPolarHBondContact CA-O 3.12Å; V763-L788 HydrophobicContact CB-CB 4.39Å; V763-L788 PolarHBondContact N-O 2.92Å; V763-L788 PolarHBondContact O-N 2.8Å; Y765-L788 HydrophobicContact CE1-CD1 4.09Å; Y765-L788 HydrophobicContact CE1-CG 4.03Å; L788-F792 HydrophobicContact CB-CZ 4.27Å; L788-M817 HydrophobicContact CD1-CE 3.87Å; L788-I849 HydrophobicContact CD1-CD1 3.84Å
789	K	91.2	Very high	80.5	Confident	122 Å²	122	72.9 Å²	72.9	53%	0.53	38%	0.376	S	S	.	.			trans	-131.5	70.5	178.5	-56.3	-162	-167.1	-158.6	0	111.8	L761 Q762 T787 K860	L761-K789 WeakPolarHBondContact O-CA 3.13Å; Q762-K789 HydrophobicContact CB-CD 4.49Å; Q762-K789 HydrophobicContact CB-CG 4.26Å; Q762-K789 VanDerWaalsContact CD-CE 3.42Å; Q762-K789 HydrophobicContact CG-CD 4.27Å; Q762-K789 HydrophobicContact CG-CG 4.11Å; T787-K789 HydrophobicContact CG2-CD 4.19Å; T787-K789 HydrophobicContact CG2-CG 3.74Å; K789-K860 VanDerWaalsContact C-CE 3.4Å; K789-K860 WeakPolarHBondContact O-CE 3.2Å; K789-K860 PolarHBondContact O-NZ 2.86Å
790	S	88.4	Confident	82.4	Confident	43 Å²	43	61.4 Å²	61.4	30%	0.301	33%	0.334	S	S	.	.			trans	-107.7	-171.1	-178.1	-156	0	0	0	0	113.7	L761 F792 K860	L761-S790 PolarHBondContact N-O 2.85Å; S790-F792 VanDerWaalsContact CB-CZ 3.46Å; S790-K860 WeakPolarHBondContact O-CE 3.38Å; S790-K860 PolarHBondContact O-NZ 3.31Å
791	A	88.4	Confident	83.9	Confident	36 Å²	36	55.8 Å²	55.8	30%	0.298	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.8	160.3	0	0	0	0	0	107.7	A758 I759 K822	A758-A791 HydrophobicContact CB-CB 3.97Å; I759-A791 WeakPolarHBondContact O-CA 3.08Å; A791-K822 PolarHBondContact O-N 2.79Å
792	F	88.1	Confident	85	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.9	-168.2	-59.6	-87.6	0	0	0	110.6	A758 I759 L761 V763 L788 S790 V819 V820 T821	A758-F792 CarbonylContact C-O 3.55Å; A758-F792 WeakPolarHBondContact CA-O 3.19Å; I759-F792 PolarHBondContact N-O 3.2Å; I759-F792 PolarHBondContact O-N 2.85Å; L761-F792 HydrophobicContact CB-CD2 3.67Å; L761-F792 HydrophobicContact CB-CE2 3.78Å; L761-F792 HydrophobicContact CD1-CB 4.36Å; L761-F792 HydrophobicContact CD1-CD2 3.89Å; L761-F792 HydrophobicContact CD1-CG 4.36Å; L761-F792 HydrophobicContact CG-CD2 3.95Å; V763-F792 HydrophobicContact CG2-CE2 4.42Å; V763-F792 HydrophobicContact CG2-CZ 4.47Å; L788-F792 HydrophobicContact CB-CZ 4.27Å; S790-F792 VanDerWaalsContact CB-CZ 3.46Å; F792-V819 HydrophobicContact CD1-CB 3.81Å; F792-V819 HydrophobicContact CD1-CG1 4.02Å; F792-V819 HydrophobicContact CE1-CB 3.76Å; F792-V819 HydrophobicContact CE1-CG1 3.82Å; F792-V819 HydrophobicContact CE1-CG2 4.2Å; F792-V820 CarbonylContact C-O 3.49Å; F792-V820 WeakPolarHBondContact CA-O 3.38Å; F792-T821 HydrophobicContact CD1-CG2 3.84Å; F792-T821 HydrophobicContact CE1-CG2 3.92Å
793	R	89.7	Confident	85.3	Confident	48 Å²	48	47.2 Å²	47.2	18%	0.181	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	-43.5	165.7	-75	178.2	166	-93.3	3.6	109.7	G691 L692 V756 V820 K822 M842 S844	G691-R793 WeakPolarHBondContact CA-O 3.49Å; L692-R793 PolarHBondContact N-O 2.94Å; V756-R793 VanDerWaalsContact CG1-NH1 3.32Å; R793-V820 HydrophobicContact CB-CB 4.33Å; R793-V820 HydrophobicContact CB-CG1 4.13Å; R793-V820 PolarHBondContact N-O 3.28Å; R793-K822 HydrophobicContact CG-CB 4.15Å; R793-M842 PolarHBondContact NH2-SD 3.02Å; R793-S844 PolarHBondContact NE-OG 3.39Å
794	S	90.9	Very high	84.7	Confident	34 Å²	34	48.8 Å²	48.8	24%	0.238	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	153.8	173.7	57.2	0	0	0	0	111.6	V690 V820	V690-S794 CarbonylContact O-C 3.57Å; V690-S794 WeakPolarHBondContact O-CA 3.39Å; S794-V820 PolarHBondContact N-O 3Å; S794-V820 PolarHBondContact O-N 2.74Å; S794-V820 WeakPolarHBondContact OG-CG2 3.2Å
795	L	94.5	Very high	82.9	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.5	167.8	176	153.8	0	0	0	106.9	K689 V690 L761 V763 V797 M817 V819 F881	K689-L795 CarbonylContact C-O 3.55Å; K689-L795 WeakPolarHBondContact CA-O 3.34Å; V690-L795 PolarHBondContact N-O 3.43Å; V690-L795 PolarHBondContact O-N 2.8Å; L761-L795 HydrophobicContact CD1-CB 4.34Å; L761-L795 HydrophobicContact CD1-CD1 4.18Å; V763-L795 HydrophobicContact CG1-CD1 4.33Å; V763-L795 HydrophobicContact CG2-CD1 3.53Å; L795-V797 HydrophobicContact CD2-CG2 3.94Å; L795-M817 HydrophobicContact CD1-SD 3.88Å; L795-M817 HydrophobicContact CG-CG 4.41Å; L795-M817 HydrophobicContact CG-SD 4.17Å; L795-V819 HydrophobicContact CB-CG1 4.21Å; L795-V819 HydrophobicContact CD1-CG1 3.97Å; L795-V819 HydrophobicContact CG-CG1 3.95Å; L795-F881 HydrophobicContact CD2-CZ 4.39Å
796	Q	94.4	Very high	80.5	Confident	65 Å²	65	48.2 Å²	48.2	30%	0.304	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.6	174.9	177.3	175.6	-59.1	0	0	109.1	V687 V688 K689 M817 T818	V687-Q796 HydrophobicContact CB-CG 4.39Å; V687-Q796 HydrophobicContact CG1-CG 4.36Å; V688-Q796 CarbonylContact O-C 3.55Å; V688-Q796 VanDerWaalsContact O-CA 3.26Å; V688-Q796 WeakPolarHBondContact O-CA 3.16Å; K689-Q796 HydrophobicContact CG-CB 4.4Å; K689-Q796 HydrophobicContact CG-CG 4.12Å; Q796-M817 CarbonylContact O-C 3.54Å; Q796-M817 WeakPolarHBondContact O-CA 3.34Å; Q796-T818 PolarHBondContact N-O 3.01Å; Q796-T818 PolarHBondContact O-N 2.84Å
797	V	96.1	Very high	78	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.9	169.5	-173.4	0	0	0	0	108	V687 V688 L795 M815 A816 M817 L855 L883	V687-V797 CarbonylContact C-O 3.49Å; V687-V797 VanDerWaalsContact CA-O 3.26Å; V687-V797 WeakPolarHBondContact CA-O 3.42Å; V688-V797 PolarHBondContact N-O 2.84Å; V688-V797 PolarHBondContact O-N 3.16Å; L795-V797 HydrophobicContact CD2-CG2 3.94Å; V797-M815 HydrophobicContact CG1-CB 3.9Å; V797-M815 HydrophobicContact CG1-CG 4.44Å; V797-M815 HydrophobicContact CG1-SD 4.07Å; V797-A816 CarbonylContact C-O 3.57Å; V797-A816 WeakPolarHBondContact CA-O 3.38Å; V797-M817 HydrophobicContact CG2-CB 4.13Å; V797-M817 HydrophobicContact CG2-CG 4.06Å; V797-L855 HydrophobicContact CG2-CD1 4Å; V797-L883 HydrophobicContact CB-CD1 3.68Å; V797-L883 HydrophobicContact CG1-CD1 3.77Å; V797-L883 HydrophobicContact CG2-CD1 3.75Å
798	S	94.5	Very high	75.7	Confident	23 Å²	23	52 Å²	52	16%	0.161	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	141.5	174.5	-176.1	0	0	0	0	110.3	G686 L800 M815 A816	G686-S798 WeakPolarHBondContact O-CA 3.35Å; G686-S798 PolarHBondContact O-OG 3.36Å; S798-L800 PolarHBondContact OG-N 2.87Å; S798-L800 PolarHBondContact OG-O 2.87Å; S798-M815 WeakPolarHBondContact O-CA 3.43Å; S798-A816 PolarHBondContact N-O 2.82Å; S798-A816 PolarHBondContact O-N 2.85Å
799	R	93.3	Very high	73.4	Confident	10 Å²	10	58.6 Å²	58.6	4%	0.038	38%	0.38	C	S	.	.	S	Bend	trans	-92	-21.2	170.8	-177.3	53.1	-177.7	99.7	-14.3	113.3	P660 A662 F684 G686 V812 T814 A885	P660-R799 WeakPolarHBondContact O-CG 3.31Å; A662-R799 HydrophobicContact CB-CB 4.31Å; A662-R799 HydrophobicContact CB-CG 3.76Å; F684-R799 HydrophobicContact CD2-CB 4.27Å; F684-R799 HydrophobicContact CE2-CB 3.82Å; G686-R799 PolarHBondContact O-N 2.82Å; R799-V812 PolarHBondContact NH1-O 2.86Å; R799-V812 PolarHBondContact NH2-O 3.07Å; R799-T814 PolarHBondContact NH1-O 2.84Å; R799-A885 VanDerWaalsContact CZ-O 3.23Å; R799-A885 PolarHBondContact NE-O 3.48Å; R799-A885 PolarHBondContact NH2-O 3.29Å
800	L	88.5	Confident	71.1	Confident	14 Å²	14	57.8 Å²	57.8	7%	0.073	39%	0.385	C	S	.	.	S	Bend	trans	-74	137.9	176.5	-53.4	170.9	0	0	0	109.9	P604 V605 H608 L659 I685 S798	P604-L800 HydrophobicContact CB-CD1 4.39Å; P604-L800 WeakPolarHBondContact O-CD1 3.44Å; V605-L800 HydrophobicContact CB-CD1 4.5Å; V605-L800 HydrophobicContact CG2-CD1 4.06Å; V605-L800 HydrophobicContact CG2-CD2 4.31Å; H608-L800 HydrophobicContact CB-CB 4.4Å; H608-L800 HydrophobicContact CB-CD1 3.9Å; H608-L800 HydrophobicContact CB-CD2 4.44Å; H608-L800 HydrophobicContact CB-CG 4.47Å; L659-L800 HydrophobicContact CD2-CD2 4.13Å; I685-L800 WeakPolarHBondContact O-CD2 3.49Å; I685-L800 VanDerWaalsContact O-CG 3.31Å; I685-L800 WeakPolarHBondContact O-CG 3.25Å; S798-L800 PolarHBondContact OG-N 2.87Å; S798-L800 PolarHBondContact OG-O 2.87Å
801	P	73.4	Confident	69.6	Low	64 Å²	64	58.4 Å²	58.4	42%	0.416	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-67.2	148.5	-179.1	28.8	-35.1	0	0	0	111.8	G803	P801-G803 PolarHBondContact O-N 3.2Å
802	G	63.5	Low	68.3	Low	38 Å²	38	59.5 Å²	59.5	39%	0.392	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-64.2	126.5	174.6	0	0	0	0	0	111.2	G804	G802-G804 PolarHBondContact O-N 3.33Å
803	G	51	Low	67.9	Low	84 Å²	84	62.9 Å²	62.9	87%	0.866	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	48.5	-175.3	0	0	0	0	0	114.9	P801	P801-G803 PolarHBondContact O-N 3.2Å
804	G	45.4	Very low	67.9	Low	78 Å²	78	61.5 Å²	61.5	80%	0.804	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.7	4.7	-172.4	0	0	0	0	0	116.3	G802	G802-G804 PolarHBondContact O-N 3.33Å
805	S	40.6	Very low	68.1	Low	73 Å²	73	60.1 Å²	60.1	51%	0.51	39%	0.393	S	S	.	.			trans	-134	137.9	175.7	58	0	0	0	0	112.1	D807	S805-D807 VanDerWaalsContact C-N 3.28Å; S805-D807 PolarHBondContact O-N 2.78Å
806	S	38.6	Very low	68	Low	111 Å²	111	60.8 Å²	60.8	78%	0.776	40%	0.399	S	S	*	.	S	Bend	trans	-72.6	-18.8	179.3	44.8	0	0	0	0	113.8	S808	S806-S808 PolarHBondContact O-N 2.95Å
807	D	41.3	Very low	68	Low	111 Å²	111	57.7 Å²	57.7	59%	0.594	39%	0.385	S	S	*	.			trans	-86.8	46.4	-162.3	-59.2	-2.9	0	0	0	111.5	S805 Q809 T810	S805-D807 VanDerWaalsContact C-N 3.28Å; S805-D807 PolarHBondContact O-N 2.78Å; D807-Q809 PolarHBondContact O-N 3.13Å; D807-T810 PolarHBondContact O-N 2.96Å; D807-T810 PolarHBondContact O-OG1 3.18Å
808	S	46.7	Very low	67.9	Low	90 Å²	90	59.8 Å²	59.8	63%	0.629	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-7	-167.2	-172	0	0	0	0	115.2	S806	S806-S808 PolarHBondContact O-N 2.95Å
809	Q	43.2	Very low	67.8	Low	181 Å²	181	58.8 Å²	58.8	85%	0.846	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-14.5	-176.6	-68.1	-172.3	-8.9	0	0	114.5	D807 V812	D807-Q809 PolarHBondContact O-N 3.13Å; Q809-V812 WeakPolarHBondContact O-CG2 3.29Å
810	T	43.2	Very low	67.6	Low	105 Å²	105	59.7 Å²	59.7	64%	0.644	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-23.9	-172.9	57.1	0	0	0	0	114.5	D807	D807-T810 PolarHBondContact O-N 2.96Å; D807-T810 PolarHBondContact O-OG1 3.18Å
811	L	56	Low	67.5	Low	56 Å²	56	60.6 Å²	60.6	29%	0.293	40%	0.403	S	S	.	.			trans	-93.6	10.4	-173.7	-71.1	172.6	0	0	0	115	N813 T814	L811-N813 PolarHBondContact O-N 3.13Å; L811-T814 HydrophobicContact CD2-CG2 4.33Å; L811-T814 PolarHBondContact O-N 3.3Å; L811-T814 VanDerWaalsContact O-N 3.12Å; L811-T814 PolarHBondContact O-OG1 2.87Å
812	V	61.3	Low	67.4	Low	60 Å²	60	60.8 Å²	60.8	36%	0.364	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-35	-164	-163.6	0	0	0	0	114.3	R799 Q809	R799-V812 PolarHBondContact NH1-O 2.86Å; R799-V812 PolarHBondContact NH2-O 3.07Å; Q809-V812 WeakPolarHBondContact O-CG2 3.29Å
813	N	79.3	Confident	67.2	Low	75 Å²	75	64.2 Å²	64.2	40%	0.401	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	45.2	-178.2	-67.8	-33.9	0	0	0	113.4	L811 A885 Q886	L811-N813 PolarHBondContact O-N 3.13Å; N813-A885 VanDerWaalsContact O-CB 3.29Å; N813-A885 WeakPolarHBondContact O-CB 3.46Å; N813-Q886 PolarHBondContact OD1-NE2 2.64Å
814	T	90.8	Very high	67.4	Low	19 Å²	19	69.5 Å²	69.5	12%	0.117	40%	0.402	C	S	.	.			trans	-131.1	165	179.8	66.8	0	0	0	0	113.6	A768 R799 L811 I852	A768-T814 HydrophobicContact CB-CG2 3.76Å; R799-T814 PolarHBondContact NH1-O 2.84Å; L811-T814 HydrophobicContact CD2-CG2 4.33Å; L811-T814 PolarHBondContact O-N 3.3Å; L811-T814 VanDerWaalsContact O-N 3.12Å; L811-T814 PolarHBondContact O-OG1 2.87Å; T814-I852 CarbonylContact C-O 3.58Å; T814-I852 WeakPolarHBondContact CA-O 3.29Å
815	M	94.1	Very high	67.6	Low	4 Å²	4	72 Å²	72	2%	0.02	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	159.6	174.2	-64.1	176	-64.8	0	0	110	F684 V797 S798 G851 I852 L883 A885	F684-M815 HydrophobicContact CZ-SD 3.98Å; V797-M815 HydrophobicContact CG1-CB 3.9Å; V797-M815 HydrophobicContact CG1-CG 4.44Å; V797-M815 HydrophobicContact CG1-SD 4.07Å; S798-M815 WeakPolarHBondContact O-CA 3.43Å; M815-G851 PolarHBondContact O-N 2.88Å; M815-I852 HydrophobicContact CB-CB 4.36Å; M815-I852 HydrophobicContact CE-CG2 4.17Å; M815-I852 PolarHBondContact N-O 2.7Å; M815-I852 WeakPolarHBondContact O-CB 3.47Å; M815-I852 PolarHBondContact O-N 2.96Å; M815-L883 HydrophobicContact CE-CB 3.99Å; M815-L883 HydrophobicContact SD-CB 4.14Å; M815-A885 HydrophobicContact CE-CB 4.08Å; M815-A885 HydrophobicContact CG-CB 3.86Å; M815-A885 HydrophobicContact SD-CB 4.32Å
816	A	93.4	Very high	67.8	Low	16 Å²	16	77.7 Å²	77.7	13%	0.132	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.3	171.7	0	0	0	0	0	110.7	V797 S798 I849 E850	V797-A816 CarbonylContact C-O 3.57Å; V797-A816 WeakPolarHBondContact CA-O 3.38Å; S798-A816 PolarHBondContact N-O 2.82Å; S798-A816 PolarHBondContact O-N 2.85Å; A816-I849 CarbonylContact C-O 3.57Å; A816-I849 WeakPolarHBondContact CA-O 3.01Å; A816-E850 HydrophobicContact CB-CG 4.05Å
817	M	94.8	Very high	68.1	Low	0 Å²	0	81.9 Å²	81.9	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.5	176.5	176.8	177.6	59.9	0	0	111	V763 Y765 L788 L795 Q796 V797 V819 V848 I849 I852 L855	V763-M817 HydrophobicContact CG1-CE 4.29Å; V763-M817 HydrophobicContact CG1-SD 3.91Å; Y765-M817 HydrophobicContact CD1-CE 4.43Å; L788-M817 HydrophobicContact CD1-CE 3.87Å; L795-M817 HydrophobicContact CD1-SD 3.88Å; L795-M817 HydrophobicContact CG-CG 4.41Å; L795-M817 HydrophobicContact CG-SD 4.17Å; Q796-M817 CarbonylContact O-C 3.54Å; Q796-M817 WeakPolarHBondContact O-CA 3.34Å; V797-M817 HydrophobicContact CG2-CB 4.13Å; V797-M817 HydrophobicContact CG2-CG 4.06Å; M817-V819 HydrophobicContact CE-CG1 4.4Å; M817-V819 HydrophobicContact CG-CG1 3.93Å; M817-V819 HydrophobicContact SD-CG1 3.89Å; M817-V848 CarbonylContact O-C 3.57Å; M817-V848 WeakPolarHBondContact O-CA 3.3Å; M817-I849 HydrophobicContact CE-CD1 3.98Å; M817-I849 PolarHBondContact N-O 3.49Å; M817-I849 PolarHBondContact O-N 3.19Å; M817-I852 HydrophobicContact CB-CD1 3.46Å; M817-I852 VanDerWaalsContact CB-CD1 3.46Å; M817-I852 HydrophobicContact CE-CD1 4.17Å; M817-L855 HydrophobicContact CE-CD1 4.33Å; M817-L855 HydrophobicContact SD-CD1 3.5Å; M817-L855 VanDerWaalsContact SD-CD1 3.5Å
818	T	93.5	Very high	68.2	Low	43 Å²	43	81.7 Å²	81.7	26%	0.264	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.6	167.8	-53.5	0	0	0	0	109.4	Q796 Q847 V848	Q796-T818 PolarHBondContact N-O 3.01Å; Q796-T818 PolarHBondContact O-N 2.84Å; T818-Q847 CarbonylContact C-O 3.57Å; T818-Q847 WeakPolarHBondContact CA-O 3.42Å; T818-V848 HydrophobicContact CG2-CG2 4.24Å
819	V	91.9	Very high	67.9	Low	2 Å²	2	82.7 Å²	82.7	1%	0.012	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.5	175.2	-72.3	0	0	0	0	111.1	F792 L795 M817 S846 Q847	F792-V819 HydrophobicContact CD1-CB 3.81Å; F792-V819 HydrophobicContact CD1-CG1 4.02Å; F792-V819 HydrophobicContact CE1-CB 3.76Å; F792-V819 HydrophobicContact CE1-CG1 3.82Å; F792-V819 HydrophobicContact CE1-CG2 4.2Å; L795-V819 HydrophobicContact CB-CG1 4.21Å; L795-V819 HydrophobicContact CD1-CG1 3.97Å; L795-V819 HydrophobicContact CG-CG1 3.95Å; M817-V819 HydrophobicContact CE-CG1 4.4Å; M817-V819 HydrophobicContact CG-CG1 3.93Å; M817-V819 HydrophobicContact SD-CG1 3.89Å; V819-S846 CarbonylContact O-C 3.6Å; V819-S846 WeakPolarHBondContact O-CA 3.49Å; V819-Q847 HydrophobicContact CG2-CB 4.04Å; V819-Q847 PolarHBondContact N-O 3.5Å; V819-Q847 PolarHBondContact O-N 2.96Å
820	V	89.9	Confident	68.1	Low	30 Å²	30	79.7 Å²	79.7	18%	0.182	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.5	173.5	-175.4	0	0	0	0	108.4	F792 R793 S794	F792-V820 CarbonylContact C-O 3.49Å; F792-V820 WeakPolarHBondContact CA-O 3.38Å; R793-V820 HydrophobicContact CB-CB 4.33Å; R793-V820 HydrophobicContact CB-CG1 4.13Å; R793-V820 PolarHBondContact N-O 3.28Å; S794-V820 PolarHBondContact N-O 3Å; S794-V820 PolarHBondContact O-N 2.74Å; S794-V820 WeakPolarHBondContact OG-CG2 3.2Å
821	T	85.3	Confident	68.6	Low	32 Å²	32	81.5 Å²	81.5	20%	0.196	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	144.7	-178.1	57	0	0	0	0	111.9	F792 E823 K845	F792-T821 HydrophobicContact CD1-CG2 3.84Å; F792-T821 HydrophobicContact CE1-CG2 3.92Å; T821-E823 PolarHBondContact O-N 3.03Å; T821-K845 PolarHBondContact N-O 2.85Å; T821-K845 PolarHBondContact OG1-O 2.88Å
822	K	70.9	Confident	68.4	Low	69 Å²	69	87.6 Å²	87.6	30%	0.3	45%	0.447	S	S	.	.			trans	-84.7	103.8	170.8	-171	168.4	-178.3	172.3	0	107.3	V756 D757 A758 A791 R793 K824 M842	V756-K822 PolarHBondContact O-NZ 2.91Å; D757-K822 IonicContact OD1-NZ 2.75Å; A758-K822 HydrophobicContact CB-CB 3.58Å; A758-K822 HydrophobicContact CB-CD 3.61Å; A758-K822 HydrophobicContact CB-CG 4.23Å; A791-K822 PolarHBondContact O-N 2.79Å; R793-K822 HydrophobicContact CG-CB 4.15Å; K822-K824 PolarHBondContact O-N 3.21Å; K822-M842 HydrophobicContact CG-SD 4.24Å
823	E	59.3	Low	67.7	Low	110 Å²	110	92.4 Å²	92.4	51%	0.514	47%	0.47	S	S	.	.			trans	-61.4	123.7	179.7	179.1	160	-153.1	0	0	110.3	T821 N825	T821-E823 PolarHBondContact O-N 3.03Å; E823-N825 VanDerWaalsContact C-N 3.32Å; E823-N825 PolarHBondContact O-N 2.99Å
824	K	55.3	Low	66.3	Low	194 Å²	194	92.9 Å²	92.9	84%	0.843	49%	0.492	S	S	*	.			trans	-74	94.7	160.8	-84.8	-167.2	173	-172.7	0	107.6	K822 K826	K822-K824 PolarHBondContact O-N 3.21Å; K824-K826 PolarHBondContact O-N 2.88Å
825	N	50.2	Low	64.1	Low	130 Å²	130	101.1 Å²	101.1	70%	0.695	53%	0.526	S	S	*	.			trans	-43.9	108.4	163.2	-115.1	-44.9	0	0	0	108.4	E823 K827	E823-N825 VanDerWaalsContact C-N 3.32Å; E823-N825 PolarHBondContact O-N 2.99Å; N825-K827 VanDerWaalsContact C-N 3.3Å; N825-K827 PolarHBondContact O-N 2.86Å
826	K	44	Very low	61.6	Low	193 Å²	193	110.7 Å²	110.7	84%	0.839	57%	0.568	S	S	*	*			trans	-68	94.5	174.6	-76.3	-176.5	179.6	177.8	0	106.7	K824 V828	K824-K826 PolarHBondContact O-N 2.88Å; K826-V828 PolarHBondContact O-N 2.99Å
827	K	46.6	Very low	58.9	Low	200 Å²	200	115.8 Å²	115.8	87%	0.87	60%	0.599	S	S	*	*			trans	-58.3	95.3	164.9	-76.7	-170.5	175.9	-176	0	107.5	N825	N825-K827 VanDerWaalsContact C-N 3.3Å; N825-K827 PolarHBondContact O-N 2.86Å
828	V	43.2	Very low	56.3	Low	106 Å²	106	125.3 Å²	125.3	64%	0.642	64%	0.641	S	S	*	*			trans	-52.8	127.7	156.6	179.6	0	0	0	0	105.2	K826 T830	K826-V828 PolarHBondContact O-N 2.99Å; V828-T830 HydrophobicContact CG1-CG2 4.14Å; V828-T830 PolarHBondContact O-N 2.66Å
829	P	40.6	Very low	53.5	Low	112 Å²	112	132.1 Å²	132.1	73%	0.727	67%	0.67	S	S	*	*			trans	-75.2	69.6	178.7	31.4	-34.7	0	0	0	109.4	I831	P829-I831 VanDerWaalsContact O-CG1 3.31Å; P829-I831 WeakPolarHBondContact O-CG1 3.47Å; P829-I831 PolarHBondContact O-N 2.66Å
830	T	46.1	Very low	51	Low	118 Å²	118	139.6 Å²	139.6	72%	0.724	70%	0.702	S	S	*	*			trans	-69.7	77.7	161.9	52.1	0	0	0	0	108.2	V828	V828-T830 HydrophobicContact CG1-CG2 4.14Å; V828-T830 PolarHBondContact O-N 2.66Å
831	I	55.1	Low	48.7	Very low	143 Å²	143	145 Å²	145	73%	0.733	73%	0.729	S	S	*	*			trans	-47.6	145	140.9	9.6	175.9	0	0	0	107.8	P829	P829-I831 VanDerWaalsContact O-CG1 3.31Å; P829-I831 WeakPolarHBondContact O-CG1 3.47Å; P829-I831 PolarHBondContact O-N 2.66Å
832	F	51.8	Low	46.9	Very low	184 Å²	184	147.5 Å²	147.5	81%	0.807	74%	0.74	S	S	*	*	S	Bend	trans	88.1	129.4	-172.9	-58	-74.5	0	0	0	118.4
833	L	44.6	Very low	45.8	Very low	161 Å²	161	149.1 Å²	149.1	84%	0.843	75%	0.752	S	S	*	*			trans	60.9	106.1	168.2	-84.1	68.2	0	0	0	118.3	K835	L833-K835 PolarHBondContact O-N 3.1Å
834	G	50.1	Low	45.9	Very low	84 Å²	84	146.3 Å²	146.3	87%	0.866	74%	0.744	S	S	*	*			trans	-74.6	115	170.4	0	0	0	0	0	113.2
835	K	46.2	Very low	46.6	Very low	192 Å²	192	144.1 Å²	144.1	84%	0.835	74%	0.735	S	S	*	*			trans	-126.1	138	148.2	-68	-175.8	179.1	179.6	0	106.7	L833 P837	L833-K835 PolarHBondContact O-N 3.1Å; K835-P837 WeakPolarHBondContact O-CD 3.48Å
836	K	40.2	Very low	48.2	Very low	206 Å²	206	141.2 Å²	141.2	90%	0.896	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-57.6	124	176.8	-73.7	-173.1	178.2	-177.3	0	108.3	K838	K836-K838 PolarHBondContact O-N 2.86Å
837	P	37.7	Very low	50.3	Low	123 Å²	123	136.6 Å²	136.6	80%	0.799	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-60.1	123.7	172.2	-21.1	33.1	0	0	0	108.5	K835 E839	K835-P837 WeakPolarHBondContact O-CD 3.48Å; P837-E839 PolarHBondContact O-N 3.06Å
838	K	39.1	Very low	52.4	Low	200 Å²	200	131 Å²	131	87%	0.87	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-63.6	125.1	161.8	-171.7	178.7	-178.4	-175.8	0	105.8	K836 K840	K836-K838 PolarHBondContact O-N 2.86Å; K838-K840 PolarHBondContact O-N 3.19Å
839	E	36.3	Very low	54.7	Low	186 Å²	186	126.8 Å²	126.8	87%	0.869	66%	0.662	S	S	*	*			trans	-61.6	112.9	-177.1	-164.1	156.8	-147.1	0	0	108.4	P837	P837-E839 PolarHBondContact O-N 3.06Å
840	K	38.4	Very low	57.2	Low	159 Å²	159	126.5 Å²	126.5	69%	0.691	65%	0.651	S	S	*	*			trans	-94.4	130.6	176.1	-172.6	-161.4	178.3	-122.1	0	106.8	K838 D843	K838-K840 PolarHBondContact O-N 3.19Å; K840-D843 IonicContact NZ-OD2 2.79Å; K840-D843 PolarHBondContact NZ-OD2 2.86Å
841	D	42.1	Very low	59.3	Low	142 Å²	142	121.6 Å²	121.6	76%	0.759	62%	0.624	S	S	*	*			trans	-49.2	139.5	-178.4	-74.7	-75.1	0	0	0	113.6	D843	D841-D843 VanDerWaalsContact C-N 3.35Å; D841-D843 PolarHBondContact O-N 2.89Å
842	M	46.7	Very low	61	Low	86 Å²	86	114.8 Å²	114.8	42%	0.424	59%	0.589	S	S	.	*			trans	-83.2	81	-170.9	-169.6	-169.5	-38.4	0	0	110	R793 K822 S844	R793-M842 PolarHBondContact NH2-SD 3.02Å; K822-M842 HydrophobicContact CG-SD 4.24Å; M842-S844 PolarHBondContact O-N 2.93Å; M842-S844 PolarHBondContact O-OG 2.87Å
843	D	48.1	Very low	63	Low	103 Å²	103	107.9 Å²	107.9	55%	0.551	56%	0.563	S	S	*	*			trans	-37.9	93.5	175.1	-74	-57.3	0	0	0	111.6	K840 D841 K845	K840-D843 IonicContact NZ-OD2 2.79Å; K840-D843 PolarHBondContact NZ-OD2 2.86Å; D841-D843 VanDerWaalsContact C-N 3.35Å; D841-D843 PolarHBondContact O-N 2.89Å; D843-K845 PolarHBondContact O-N 2.79Å; D843-K845 VanDerWaalsContact O-N 3.16Å
844	S	61.4	Low	65.4	Low	50 Å²	50	105.4 Å²	105.4	35%	0.35	54%	0.543	S	S	.	.			trans	-90.7	89.5	-167.9	-73.5	0	0	0	0	110.1	R793 M842 S846	R793-S844 PolarHBondContact NE-OG 3.39Å; M842-S844 PolarHBondContact O-N 2.93Å; M842-S844 PolarHBondContact O-OG 2.87Å; S844-S846 PolarHBondContact O-N 2.77Å
845	K	71.3	Confident	67.6	Low	149 Å²	149	101.4 Å²	101.4	65%	0.648	50%	0.502	S	S	*	.			trans	-58.3	108.3	-176	-169.7	170.9	-175.7	172.7	0	112	T821 D843	T821-K845 PolarHBondContact N-O 2.85Å; T821-K845 PolarHBondContact OG1-O 2.88Å; D843-K845 PolarHBondContact O-N 2.79Å; D843-K845 VanDerWaalsContact O-N 3.16Å
846	S	83.4	Confident	70	Confident	68 Å²	68	94 Å²	94	48%	0.476	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	146.3	169.4	-171.3	0	0	0	0	110.6	V819 S844	V819-S846 CarbonylContact O-C 3.6Å; V819-S846 WeakPolarHBondContact O-CA 3.49Å; S844-S846 PolarHBondContact O-N 2.77Å
847	Q	88.3	Confident	72.6	Confident	97 Å²	97	84.2 Å²	84.2	45%	0.453	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	135.4	173.7	177	179.8	-1.8	0	0	109.4	T818 V819 I849	T818-Q847 CarbonylContact C-O 3.57Å; T818-Q847 WeakPolarHBondContact CA-O 3.42Å; V819-Q847 HydrophobicContact CG2-CB 4.04Å; V819-Q847 PolarHBondContact N-O 3.5Å; V819-Q847 PolarHBondContact O-N 2.96Å; Q847-I849 HydrophobicContact CG-CG1 4.14Å
848	V	90.5	Very high	75.3	Confident	81 Å²	81	80 Å²	80	49%	0.491	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	141.8	170	-173.4	0	0	0	0	109.1	M817 T818 E850	M817-V848 CarbonylContact O-C 3.57Å; M817-V848 WeakPolarHBondContact O-CA 3.3Å; T818-V848 HydrophobicContact CG2-CG2 4.24Å; V848-E850 HydrophobicContact CG1-CG 4.02Å
849	I	91.4	Very high	77.8	Confident	19 Å²	19	71 Å²	71	10%	0.097	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	112.1	176	-54.9	-175.4	0	0	0	107.7	Y765 L767 L788 A816 M817 Q847 I852	Y765-I849 HydrophobicContact CE2-CG2 3.76Å; L767-I849 HydrophobicContact CD2-CG2 4.38Å; L788-I849 HydrophobicContact CD1-CD1 3.84Å; A816-I849 CarbonylContact C-O 3.57Å; A816-I849 WeakPolarHBondContact CA-O 3.01Å; M817-I849 HydrophobicContact CE-CD1 3.98Å; M817-I849 PolarHBondContact N-O 3.49Å; M817-I849 PolarHBondContact O-N 3.19Å; Q847-I849 HydrophobicContact CG-CG1 4.14Å; I849-I852 HydrophobicContact CB-CD1 4.29Å; I849-I852 HydrophobicContact CG2-CD1 4.07Å; I849-I852 HydrophobicContact CG2-CG1 4.23Å; I849-I852 WeakPolarHBondContact O-CD1 3.49Å
850	E	91.8	Very high	80.2	Confident	106 Å²	106	67.1 Å²	67.1	50%	0.495	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	175.8	-178	-56.4	-167	139.2	0	0	111.9	L767 A816 V848 I852	L767-E850 WeakPolarHBondContact CD2-O 3.4Å; A816-E850 HydrophobicContact CB-CG 4.05Å; V848-E850 HydrophobicContact CG1-CG 4.02Å; E850-I852 VanDerWaalsContact C-N 3.31Å; E850-I852 PolarHBondContact O-N 2.87Å
851	G	90.3	Very high	82.3	Confident	15 Å²	15	66.4 Å²	66.4	16%	0.155	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.3	14.7	175.4	0	0	0	0	0	115	L767 A768 M815 S853	L767-G851 CarbonylContact C-O 3.49Å; L767-G851 WeakPolarHBondContact CA-O 3.21Å; A768-G851 PolarHBondContact N-O 2.7Å; M815-G851 PolarHBondContact O-N 2.88Å; G851-S853 PolarHBondContact O-N 3.04Å
852	I	92.6	Very high	83.9	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	122.4	-174.9	-59.5	176	0	0	0	110.3	Y765 W766 L767 T814 M815 M817 I849 E850 R854 L855	Y765-I852 HydrophobicContact CD2-CD1 4.19Å; Y765-I852 HydrophobicContact CD2-CG1 4.1Å; W766-I852 CarbonylContact O-C 3.49Å; W766-I852 WeakPolarHBondContact O-CA 3.43Å; L767-I852 HydrophobicContact CD2-CG1 4.05Å; T814-I852 CarbonylContact C-O 3.58Å; T814-I852 WeakPolarHBondContact CA-O 3.29Å; M815-I852 HydrophobicContact CB-CB 4.36Å; M815-I852 HydrophobicContact CE-CG2 4.17Å; M815-I852 PolarHBondContact N-O 2.7Å; M815-I852 WeakPolarHBondContact O-CB 3.47Å; M815-I852 PolarHBondContact O-N 2.96Å; M817-I852 HydrophobicContact CB-CD1 3.46Å; M817-I852 VanDerWaalsContact CB-CD1 3.46Å; M817-I852 HydrophobicContact CE-CD1 4.17Å; I849-I852 HydrophobicContact CB-CD1 4.29Å; I849-I852 HydrophobicContact CG2-CD1 4.07Å; I849-I852 HydrophobicContact CG2-CG1 4.23Å; I849-I852 WeakPolarHBondContact O-CD1 3.49Å; E850-I852 VanDerWaalsContact C-N 3.31Å; E850-I852 PolarHBondContact O-N 2.87Å; I852-R854 WeakPolarHBondContact CG2-O 3.39Å; I852-L855 HydrophobicContact CG2-CB 4.23Å
853	S	92.4	Very high	85.3	Confident	38 Å²	38	73 Å²	73	27%	0.266	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-38.9	176.9	56.8	0	0	0	0	112.3	W766 G851 A885	W766-S853 PolarHBondContact O-N 2.87Å; W766-S853 PolarHBondContact O-OG 3.04Å; G851-S853 PolarHBondContact O-N 3.04Å; S853-A885 WeakPolarHBondContact O-CB 3.17Å; S853-A885 PolarHBondContact O-N 2.92Å
854	R	94.6	Very high	87	Confident	109 Å²	109	70.5 Å²	70.5	41%	0.411	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	147.5	177.4	-171.1	-177.7	-178.5	-175.9	3.9	111	Y765 W766 I852 L883	Y765-R854 CarbonylContact C-O 3.57Å; Y765-R854 WeakPolarHBondContact CA-O 3.24Å; W766-R854 HydrophobicContact CB-CB 4.45Å; W766-R854 HydrophobicContact CE3-CB 4.1Å; W766-R854 HydrophobicContact CE3-CG 4.23Å; W766-R854 PolarHBondContact N-O 2.81Å; I852-R854 WeakPolarHBondContact CG2-O 3.39Å; R854-L883 CarbonylContact C-O 3.59Å; R854-L883 VanDerWaalsContact CA-O 3.31Å; R854-L883 WeakPolarHBondContact CA-O 3.42Å; R854-L883 WeakPolarHBondContact CG-O 3.44Å
855	L	96.7	Very high	88.3	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	148.4	174.7	177.4	149.3	0	0	0	110.7	V763 D764 V797 M817 I852 C857 F881 Q882 L883	V763-L855 HydrophobicContact CG1-CD1 3.62Å; V763-L855 HydrophobicContact CG1-CD2 4.24Å; V763-L855 HydrophobicContact CG1-CG 3.8Å; D764-L855 CarbonylContact O-C 3.54Å; D764-L855 WeakPolarHBondContact O-CA 3.36Å; V797-L855 HydrophobicContact CG2-CD1 4Å; M817-L855 HydrophobicContact CE-CD1 4.33Å; M817-L855 HydrophobicContact SD-CD1 3.5Å; M817-L855 VanDerWaalsContact SD-CD1 3.5Å; I852-L855 HydrophobicContact CG2-CB 4.23Å; L855-C857 HydrophobicContact CD2-CB 3.91Å; L855-F881 HydrophobicContact CD2-CE2 4.03Å; L855-Q882 CarbonylContact O-C 3.55Å; L855-Q882 VanDerWaalsContact O-CA 3.25Å; L855-Q882 WeakPolarHBondContact O-CA 3.36Å; L855-L883 HydrophobicContact CB-CB 4.39Å; L855-L883 HydrophobicContact CD2-CD1 4.19Å; L855-L883 HydrophobicContact CD2-CG 4.23Å; L855-L883 PolarHBondContact N-O 3.29Å; L855-L883 PolarHBondContact O-N 3.41Å
856	I	96.8	Very high	89.2	Confident	37 Å²	37	64.6 Å²	64.6	19%	0.19	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.1	171.8	-57.9	-178.2	0	0	0	107	V763 D764 W766 F881 Q882	V763-I856 CarbonylContact C-O 3.55Å; V763-I856 WeakPolarHBondContact CA-O 3.26Å; D764-I856 HydrophobicContact CB-CB 4.41Å; D764-I856 PolarHBondContact N-O 2.89Å; D764-I856 PolarHBondContact O-N 3.35Å; W766-I856 HydrophobicContact CH2-CD1 3.96Å; W766-I856 HydrophobicContact CH2-CG1 4.47Å; W766-I856 HydrophobicContact CZ3-CD1 4Å; W766-I856 HydrophobicContact CZ3-CG1 4.01Å; I856-F881 WeakPolarHBondContact CA-O 3.14Å; I856-Q882 HydrophobicContact CB-CG 4.33Å; I856-Q882 HydrophobicContact CD1-CG 4.28Å; I856-Q882 HydrophobicContact CG1-CB 4.19Å; I856-Q882 HydrophobicContact CG1-CG 3.78Å; I856-Q882 HydrophobicContact CG2-CG 4.12Å
857	C	95.9	Very high	89.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	126.8	-179.4	175.4	0	0	0	0	111.3	Q762 V763 L855 F880 F881	Q762-C857 WeakPolarHBondContact O-CA 3.49Å; V763-C857 HydrophobicContact CG2-CB 4.44Å; L855-C857 HydrophobicContact CD2-CB 3.91Å; C857-F880 WeakPolarHBondContact O-CA 3.45Å; C857-F880 WeakPolarHBondContact O-CB 3.39Å; C857-F881 HydrophobicContact CB-CD1 4.1Å; C857-F881 HydrophobicContact CB-CD2 4.49Å; C857-F881 HydrophobicContact CB-CE1 3.48Å; C857-F881 VanDerWaalsContact CB-CE1 3.48Å; C857-F881 HydrophobicContact CB-CE2 3.95Å; C857-F881 HydrophobicContact CB-CZ 3.41Å; C857-F881 VanDerWaalsContact CB-CZ 3.41Å; C857-F881 PolarHBondContact N-O 3.02Å; C857-F881 PolarHBondContact O-N 3.22Å; C857-F881 VanDerWaalsContact SG-CE1 3.55Å
858	S	93.8	Very high	90	Very high	35 Å²	35	60.7 Å²	60.7	25%	0.245	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	160.3	177.6	60.1	0	0	0	0	111.1	L761 Q762	L761-S858 CarbonylContact C-O 3.56Å; L761-S858 WeakPolarHBondContact CA-O 3.46Å; Q762-S858 PolarHBondContact N-O 3.47Å; Q762-S858 PolarHBondContact O-N 2.81Å
859	A	91.1	Very high	90.3	Very high	11 Å²	11	57.2 Å²	57.2	9%	0.091	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	148.2	167.6	0	0	0	0	0	111.1	Q861 T864 L866	A859-Q861 VanDerWaalsContact C-N 3.29Å; A859-Q861 PolarHBondContact O-N 3.49Å; A859-T864 HydrophobicContact CB-CG2 3.89Å; A859-L866 HydrophobicContact CB-CD2 4.08Å; A859-L866 HydrophobicContact CB-CG 4.48Å
860	K	86.5	Confident	90.5	Very high	104 Å²	104	56.6 Å²	56.6	45%	0.452	28%	0.278	S	S	.	.	S	Bend	trans	-66.8	-30.2	174.5	-76.4	179.9	173.4	179.5	0	113.1	G760 L761 K789 S790	G760-K860 PolarHBondContact O-N 3.14Å; L761-K860 VanDerWaalsContact O-CE 3.27Å; L761-K860 WeakPolarHBondContact O-CE 3.37Å; K789-K860 VanDerWaalsContact C-CE 3.4Å; K789-K860 WeakPolarHBondContact O-CE 3.2Å; K789-K860 PolarHBondContact O-NZ 2.86Å; S790-K860 WeakPolarHBondContact O-CE 3.38Å; S790-K860 PolarHBondContact O-NZ 3.31Å
861	Q	83	Confident	90.6	Very high	144 Å²	144	51.7 Å²	51.7	67%	0.673	26%	0.255	S	S	*	.	S	Bend	trans	-97.7	118.4	172.3	-74.9	171.2	-32	0	0	107.6	A859 Q863 T864	A859-Q861 VanDerWaalsContact C-N 3.29Å; A859-Q861 PolarHBondContact O-N 3.49Å; Q861-Q863 PolarHBondContact O-N 3.14Å; Q861-Q863 VanDerWaalsContact O-N 3.11Å; Q861-T864 WeakPolarHBondContact CB-OG1 3.28Å; Q861-T864 WeakPolarHBondContact O-CB 3.4Å; Q861-T864 PolarHBondContact O-N 3.1Å; Q861-T864 PolarHBondContact O-OG1 2.84Å
862	Q	74.6	Confident	90.6	Very high	195 Å²	195	53 Å²	53	91%	0.911	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.8	-171.2	-68.8	178.8	-17.4	0	0	114.5
863	Q	76.6	Confident	90.6	Very high	172 Å²	172	55.8 Å²	55.8	80%	0.804	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-20.1	177.5	-68.8	-180	-17.7	0	0	113.5	Q861 I865	Q861-Q863 PolarHBondContact O-N 3.14Å; Q861-Q863 VanDerWaalsContact O-N 3.11Å; Q863-I865 PolarHBondContact O-N 2.76Å
864	T	84.3	Confident	90.7	Very high	50 Å²	50	58 Å²	58	31%	0.307	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-66.6	129	-177.6	-58.8	0	0	0	0	110.9	A859 Q861	A859-T864 HydrophobicContact CB-CG2 3.89Å; Q861-T864 WeakPolarHBondContact CB-OG1 3.28Å; Q861-T864 WeakPolarHBondContact O-CB 3.4Å; Q861-T864 PolarHBondContact O-N 3.1Å; Q861-T864 PolarHBondContact O-OG1 2.84Å
865	I	87.9	Confident	90.6	Very high	73 Å²	73	55.2 Å²	55.2	37%	0.374	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-92	136.1	175	-52	176.9	0	0	0	108.3	K669 Q863 N876 D877	K669-I865 HydrophobicContact CD-CD1 3.86Å; K669-I865 HydrophobicContact CD-CG1 4.22Å; Q863-I865 PolarHBondContact O-N 2.76Å; I865-N876 WeakPolarHBondContact CG2-O 3.37Å; I865-D877 VanDerWaalsContact CG2-C 3.47Å
866	L	91.4	Very high	90.3	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.4	177.8	-62	179	0	0	0	111	V690 I759 L761 A859 V868 V878 F881	V690-L866 HydrophobicContact CG1-CD2 4.46Å; I759-L866 HydrophobicContact CG2-CD2 3.99Å; L761-L866 HydrophobicContact CD2-CD1 4.23Å; L761-L866 HydrophobicContact CD2-CD2 3.6Å; A859-L866 HydrophobicContact CB-CD2 4.08Å; A859-L866 HydrophobicContact CB-CG 4.48Å; L866-V868 HydrophobicContact CB-CG2 4.1Å; L866-V878 HydrophobicContact CB-CB 4.3Å; L866-V878 PolarHBondContact N-O 2.87Å; L866-V878 WeakPolarHBondContact O-CB 3.35Å; L866-V878 PolarHBondContact O-N 2.77Å; L866-F881 HydrophobicContact CD1-CD1 4.36Å; L866-F881 HydrophobicContact CD1-CE1 4.29Å
867	K	92.8	Very high	89.9	Confident	83 Å²	83	59.9 Å²	59.9	36%	0.361	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	122.3	159.3	-172.1	174.8	-172.7	-168.5	0	109.1	I693 E874 W875 N876	I693-K867 HydrophobicContact CD1-CD 4.12Å; I693-K867 HydrophobicContact CD1-CG 3.93Å; K867-E874 WeakPolarHBondContact CE-OE1 3.07Å; K867-E874 WeakPolarHBondContact CE-OE2 3.48Å; K867-E874 IonicContact NZ-OE1 3.67Å; K867-E874 PolarHBondContact NZ-OE1 2.78Å; K867-E874 IonicContact NZ-OE2 2.72Å; K867-E874 PolarHBondContact NZ-OE2 2.86Å; K867-W875 WeakPolarHBondContact CA-O 3.18Å; K867-N876 WeakPolarHBondContact CD-OD1 3.22Å; K867-N876 WeakPolarHBondContact CE-OD1 3.37Å; K867-N876 WeakPolarHBondContact CG-OD1 3.37Å
868	V	95.3	Very high	89.8	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.7	-178.8	-171.8	0	0	0	0	108.9	L666 V688 K689 V690 L866 I870 W875 V878 F881	L666-V868 HydrophobicContact CD2-CG1 4.39Å; V688-V868 HydrophobicContact CG1-CG1 3.7Å; K689-V868 CarbonylContact O-C 3.54Å; K689-V868 WeakPolarHBondContact O-CA 3.26Å; V690-V868 HydrophobicContact CG2-CB 4.36Å; V690-V868 HydrophobicContact CG2-CG1 4.06Å; V690-V868 HydrophobicContact CG2-CG2 4.03Å; L866-V868 HydrophobicContact CB-CG2 4.1Å; V868-I870 HydrophobicContact CG1-CG1 4.22Å; V868-W875 PolarHBondContact N-O 2.95Å; V868-W875 WeakPolarHBondContact O-CB 3.15Å; V868-W875 PolarHBondContact O-N 3.33Å; V868-V878 HydrophobicContact CB-CG2 4.37Å; V868-V878 HydrophobicContact CG2-CB 4.01Å; V868-V878 HydrophobicContact CG2-CG1 4.07Å; V868-V878 HydrophobicContact CG2-CG2 3.92Å; V868-F881 HydrophobicContact CG2-CD1 3.91Å; V868-F881 HydrophobicContact CG2-CE1 4.11Å
869	S	95.9	Very high	89.7	Confident	9 Å²	9	61.2 Å²	61.2	6%	0.063	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.5	168.1	-176.1	0	0	0	0	109.6	V688 K689 G872 V873	V688-S869 CarbonylContact C-O 3.54Å; V688-S869 VanDerWaalsContact CA-O 3.24Å; V688-S869 WeakPolarHBondContact CA-O 3.49Å; K689-S869 PolarHBondContact N-O 3.04Å; K689-S869 PolarHBondContact O-N 2.81Å; S869-G872 WeakPolarHBondContact OG-CA 3.38Å; S869-V873 CarbonylContact C-O 3.55Å; S869-V873 VanDerWaalsContact CA-O 3.3Å; S869-V873 WeakPolarHBondContact CA-O 3.41Å
870	I	96.3	Very high	89.9	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.026	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.7	175.6	-61.4	167.1	0	0	0	107.5	A664 L666 I682 F684 V688 V868 G872 V873	A664-I870 HydrophobicContact CB-CD1 3.73Å; A664-I870 HydrophobicContact CB-CG1 4.45Å; L666-I870 HydrophobicContact CD1-CD1 3.98Å; L666-I870 HydrophobicContact CD2-CD1 3.93Å; L666-I870 HydrophobicContact CG-CD1 4.02Å; I682-I870 HydrophobicContact CB-CD1 4.43Å; I682-I870 HydrophobicContact CD1-CD1 3.64Å; I682-I870 HydrophobicContact CG2-CD1 4.46Å; I682-I870 HydrophobicContact CG2-CG2 3.97Å; F684-I870 HydrophobicContact CB-CG2 3.65Å; F684-I870 HydrophobicContact CG-CG2 4.22Å; V688-I870 HydrophobicContact CG1-CG1 4.09Å; V688-I870 HydrophobicContact CG2-CG1 4.12Å; V688-I870 HydrophobicContact CG2-CG2 4.33Å; V868-I870 HydrophobicContact CG1-CG1 4.22Å; I870-G872 PolarHBondContact O-N 3.19Å; I870-V873 PolarHBondContact N-O 2.87Å; I870-V873 PolarHBondContact O-N 3.34Å
871	D	94.8	Very high	90.4	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.016	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	34.3	-174.5	-76.6	-5.8	0	0	0	113.5	Q568 S569 I685 G686 V687	Q568-D871 CarbonylContact C-O 3.52Å; Q568-D871 HydrophobicContact CG-CB 4.08Å; Q568-D871 WeakPolarHBondContact CG-O 3.37Å; S569-D871 WeakPolarHBondContact CA-O 3.43Å; S569-D871 PolarHBondContact N-O 3.01Å; I685-D871 PolarHBondContact N-OD2 3.12Å; G686-D871 VanDerWaalsContact C-OD1 3.29Å; G686-D871 WeakPolarHBondContact CA-OD1 3.48Å; G686-D871 PolarHBondContact N-OD1 3.23Å; G686-D871 PolarHBondContact N-OD2 3.45Å; G686-D871 VanDerWaalsContact N-OD2 3.14Å; V687-D871 PolarHBondContact N-OD1 3.08Å; V687-D871 PolarHBondContact O-N 2.95Å
872	G	90.1	Very high	91.1	Very high	43 Å²	43	53.6 Å²	53.6	44%	0.443	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	-8.5	-179.8	0	0	0	0	0	115.3	S869 I870	S869-G872 WeakPolarHBondContact OG-CA 3.38Å; I870-G872 PolarHBondContact O-N 3.19Å
873	V	92.3	Very high	92.2	Very high	59 Å²	59	44.4 Å²	44.4	36%	0.358	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	127.1	172.9	-177	0	0	0	0	109.7	S869 I870 W875	S869-V873 CarbonylContact C-O 3.55Å; S869-V873 VanDerWaalsContact CA-O 3.3Å; S869-V873 WeakPolarHBondContact CA-O 3.41Å; I870-V873 PolarHBondContact N-O 2.87Å; I870-V873 PolarHBondContact O-N 3.34Å; V873-W875 HydrophobicContact CG1-CZ2 4.25Å; V873-W875 VanDerWaalsContact O-CD1 3.3Å
874	E	93.6	Very high	93.1	Very high	84 Å²	84	37.4 Å²	37.4	39%	0.393	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	140.3	-176.9	-57.5	-159	122.9	0	0	113.9	K867	K867-E874 WeakPolarHBondContact CE-OE1 3.07Å; K867-E874 WeakPolarHBondContact CE-OE2 3.48Å; K867-E874 IonicContact NZ-OE1 3.67Å; K867-E874 PolarHBondContact NZ-OE1 2.78Å; K867-E874 IonicContact NZ-OE2 2.72Å; K867-E874 PolarHBondContact NZ-OE2 2.86Å
875	W	92.7	Very high	93.5	Very high	50 Å²	50	35.2 Å²	35.2	19%	0.189	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	111.6	-179	-59	85.7	0	0	0	109.3	L666 K680 I682 K867 V868 V873 V878	L666-W875 HydrophobicContact CD1-CB 3.72Å; L666-W875 HydrophobicContact CD1-CD2 3.42Å; L666-W875 VanDerWaalsContact CD1-CD2 3.42Å; L666-W875 HydrophobicContact CD1-CE3 3.74Å; L666-W875 HydrophobicContact CD1-CG 3.39Å; K680-W875 HydrophobicContact CD-CH2 3.98Å; K680-W875 HydrophobicContact CD-CZ3 3.56Å; I682-W875 HydrophobicContact CD1-CD2 4.18Å; I682-W875 HydrophobicContact CD1-CH2 3.92Å; I682-W875 HydrophobicContact CD1-CZ2 3.38Å; I682-W875 HydrophobicContact CD1-CZ3 4.5Å; I682-W875 HydrophobicContact CG1-CZ2 4.25Å; K867-W875 WeakPolarHBondContact CA-O 3.18Å; V868-W875 PolarHBondContact N-O 2.95Å; V868-W875 WeakPolarHBondContact O-CB 3.15Å; V868-W875 PolarHBondContact O-N 3.33Å; V873-W875 HydrophobicContact CG1-CZ2 4.25Å; V873-W875 VanDerWaalsContact O-CD1 3.3Å; W875-V878 HydrophobicContact CB-CG2 3.94Å
876	N	90.2	Very high	93.8	Very high	88 Å²	88	35.2 Å²	35.2	47%	0.471	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-13.4	-168.3	-63.9	-58.6	0	0	0	114.9	I865 K867	I865-N876 WeakPolarHBondContact CG2-O 3.37Å; K867-N876 WeakPolarHBondContact CD-OD1 3.22Å; K867-N876 WeakPolarHBondContact CE-OD1 3.37Å; K867-N876 WeakPolarHBondContact CG-OD1 3.37Å
877	D	89.7	Confident	93.9	Very high	48 Å²	48	36.3 Å²	36.3	26%	0.257	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	21.6	-166.2	-60.4	-56	0	0	0	114.1	C668 K669 K671 I865	C668-D877 CarbonylContact C-O 3.55Å; C668-D877 VanDerWaalsContact CA-O 3.24Å; C668-D877 WeakPolarHBondContact CA-O 3.33Å; C668-D877 HydrophobicContact CB-CB 4.49Å; K669-D877 PolarHBondContact N-O 2.8Å; K671-D877 WeakPolarHBondContact CE-OD2 3.36Å; K671-D877 IonicContact NZ-OD2 2.84Å; I865-D877 VanDerWaalsContact CG2-C 3.47Å
878	V	93.2	Very high	93.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122.9	-166	-175	0	0	0	0	112.5	L666 L866 V868 W875 F880 F881	L666-V878 HydrophobicContact CD1-CG2 4.11Å; L666-V878 HydrophobicContact CD2-CG1 4.14Å; L666-V878 HydrophobicContact CD2-CG2 4.11Å; L866-V878 HydrophobicContact CB-CB 4.3Å; L866-V878 PolarHBondContact N-O 2.87Å; L866-V878 WeakPolarHBondContact O-CB 3.35Å; L866-V878 PolarHBondContact O-N 2.77Å; V868-V878 HydrophobicContact CB-CG2 4.37Å; V868-V878 HydrophobicContact CG2-CB 4.01Å; V868-V878 HydrophobicContact CG2-CG1 4.07Å; V868-V878 HydrophobicContact CG2-CG2 3.92Å; W875-V878 HydrophobicContact CB-CG2 3.94Å; V878-F880 VanDerWaalsContact CG1-O 3.23Å; V878-F880 WeakPolarHBondContact CG1-O 3.36Å; V878-F881 HydrophobicContact CG1-CB 4.36Å
879	K	92	Very high	93.5	Very high	62 Å²	62	38.3 Å²	38.3	27%	0.27	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-48.6	169.9	-65.7	-176.3	179	177.1	0	111	T667 K669 S677	T667-K879 PolarHBondContact O-N 2.84Å; K669-K879 HydrophobicContact CG-CD 4.39Å; K669-K879 HydrophobicContact CG-CG 3.96Å; S677-K879 VanDerWaalsContact CB-NZ 3.3Å; S677-K879 PolarHBondContact OG-NZ 3.4Å
880	F	94.4	Very high	93.2	Very high	61 Å²	61	41.1 Å²	41.1	27%	0.268	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	165.1	174.5	68.5	-94.4	0	0	0	109.6	M665 T667 C857 V878 Q882	M665-F880 HydrophobicContact CE-CE2 4.09Å; T667-F880 HydrophobicContact CG2-CD1 4.35Å; T667-F880 HydrophobicContact CG2-CE1 3.75Å; T667-F880 HydrophobicContact CG2-CZ 4Å; T667-F880 PolarHBondContact N-O 3.38Å; T667-F880 VanDerWaalsContact OG1-CE2 3.29Å; T667-F880 WeakPolarHBondContact OG1-CE2 3.47Å; T667-F880 WeakPolarHBondContact OG1-CZ 3.41Å; C857-F880 WeakPolarHBondContact O-CA 3.45Å; C857-F880 WeakPolarHBondContact O-CB 3.39Å; V878-F880 VanDerWaalsContact CG1-O 3.23Å; V878-F880 WeakPolarHBondContact CG1-O 3.36Å; F880-Q882 HydrophobicContact CD2-CG 4.32Å; F880-Q882 HydrophobicContact CE2-CG 4.17Å
881	F	97.3	Very high	93.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	158.3	172.8	64.8	-80.8	0	0	0	112.3	M665 L666 V688 V690 L795 L855 I856 C857 L866 V868 V878 L883	M665-F881 CarbonylContact O-C 3.53Å; M665-F881 VanDerWaalsContact O-CA 3.28Å; M665-F881 WeakPolarHBondContact O-CA 3.34Å; L666-F881 HydrophobicContact CD2-CB 3.55Å; L666-F881 HydrophobicContact CD2-CG 4.38Å; V688-F881 HydrophobicContact CG1-CE2 4.12Å; V690-F881 HydrophobicContact CG2-CE1 3.61Å; V690-F881 HydrophobicContact CG2-CZ 3.65Å; L795-F881 HydrophobicContact CD2-CZ 4.39Å; L855-F881 HydrophobicContact CD2-CE2 4.03Å; I856-F881 WeakPolarHBondContact CA-O 3.14Å; C857-F881 HydrophobicContact CB-CD1 4.1Å; C857-F881 HydrophobicContact CB-CD2 4.49Å; C857-F881 HydrophobicContact CB-CE1 3.48Å; C857-F881 VanDerWaalsContact CB-CE1 3.48Å; C857-F881 HydrophobicContact CB-CE2 3.95Å; C857-F881 HydrophobicContact CB-CZ 3.41Å; C857-F881 VanDerWaalsContact CB-CZ 3.41Å; C857-F881 PolarHBondContact N-O 3.02Å; C857-F881 PolarHBondContact O-N 3.22Å; C857-F881 VanDerWaalsContact SG-CE1 3.55Å; L866-F881 HydrophobicContact CD1-CD1 4.36Å; L866-F881 HydrophobicContact CD1-CE1 4.29Å; V868-F881 HydrophobicContact CG2-CD1 3.91Å; V868-F881 HydrophobicContact CG2-CE1 4.11Å; V878-F881 HydrophobicContact CG1-CB 4.36Å; F881-L883 HydrophobicContact CD2-CD2 3.84Å; F881-L883 HydrophobicContact CD2-CG 3.94Å; F881-L883 HydrophobicContact CE2-CD1 4.11Å; F881-L883 HydrophobicContact CE2-CD2 4.21Å; F881-L883 HydrophobicContact CE2-CG 4.01Å
882	Q	97.5	Very high	93	Very high	38 Å²	38	43.1 Å²	43.1	18%	0.178	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.1	171.6	-49.4	-167.5	9.6	0	0	109.3	A664 M665 L855 I856 F880	A664-Q882 CarbonylContact C-O 3.5Å; A664-Q882 WeakPolarHBondContact CA-O 3.42Å; M665-Q882 HydrophobicContact CB-CB 4.43Å; M665-Q882 HydrophobicContact CE-CB 4.33Å; M665-Q882 HydrophobicContact CE-CG 3.76Å; M665-Q882 PolarHBondContact N-O 3.23Å; M665-Q882 PolarHBondContact O-N 2.94Å; L855-Q882 CarbonylContact O-C 3.55Å; L855-Q882 VanDerWaalsContact O-CA 3.25Å; L855-Q882 WeakPolarHBondContact O-CA 3.36Å; I856-Q882 HydrophobicContact CB-CG 4.33Å; I856-Q882 HydrophobicContact CD1-CG 4.28Å; I856-Q882 HydrophobicContact CG1-CB 4.19Å; I856-Q882 HydrophobicContact CG1-CG 3.78Å; I856-Q882 HydrophobicContact CG2-CG 4.12Å; F880-Q882 HydrophobicContact CD2-CG 4.32Å; F880-Q882 HydrophobicContact CE2-CG 4.17Å
883	L	98.1	Very high	93.2	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.9	174.6	-52.5	-178.8	0	0	0	109.7	E663 A664 F684 V688 V797 M815 R854 L855 F881	E663-L883 CarbonylContact O-C 3.39Å; E663-L883 VanDerWaalsContact O-CA 3.29Å; E663-L883 WeakPolarHBondContact O-CA 3.47Å; A664-L883 HydrophobicContact CB-CD2 3.5Å; A664-L883 VanDerWaalsContact CB-CD2 3.5Å; F684-L883 HydrophobicContact CE1-CD2 4.04Å; F684-L883 HydrophobicContact CZ-CD1 4.41Å; F684-L883 HydrophobicContact CZ-CD2 4.32Å; V688-L883 HydrophobicContact CB-CD1 4.18Å; V688-L883 HydrophobicContact CG1-CD1 4.44Å; V688-L883 HydrophobicContact CG1-CD2 4.37Å; V688-L883 HydrophobicContact CG2-CD1 4.14Å; V688-L883 HydrophobicContact CG2-CD2 3.92Å; V797-L883 HydrophobicContact CB-CD1 3.68Å; V797-L883 HydrophobicContact CG1-CD1 3.77Å; V797-L883 HydrophobicContact CG2-CD1 3.75Å; M815-L883 HydrophobicContact CE-CB 3.99Å; M815-L883 HydrophobicContact SD-CB 4.14Å; R854-L883 CarbonylContact C-O 3.59Å; R854-L883 VanDerWaalsContact CA-O 3.31Å; R854-L883 WeakPolarHBondContact CA-O 3.42Å; R854-L883 WeakPolarHBondContact CG-O 3.44Å; L855-L883 HydrophobicContact CB-CB 4.39Å; L855-L883 HydrophobicContact CD2-CD1 4.19Å; L855-L883 HydrophobicContact CD2-CG 4.23Å; L855-L883 PolarHBondContact N-O 3.29Å; L855-L883 PolarHBondContact O-N 3.41Å; F881-L883 HydrophobicContact CD2-CD2 3.84Å; F881-L883 HydrophobicContact CD2-CG 3.94Å; F881-L883 HydrophobicContact CE2-CD1 4.11Å; F881-L883 HydrophobicContact CE2-CD2 4.21Å; F881-L883 HydrophobicContact CE2-CG 4.01Å
884	A	95.5	Very high	93.4	Very high	25 Å²	25	41.9 Å²	41.9	21%	0.207	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.7	169.1	0	0	0	0	0	109.8	A662 E663 Q886	A662-A884 WeakPolarHBondContact CA-O 3.34Å; A662-A884 VanDerWaalsContact CB-O 3.29Å; A662-A884 WeakPolarHBondContact CB-O 3.31Å; E663-A884 HydrophobicContact CB-CB 4.45Å; E663-A884 PolarHBondContact N-O 3.46Å; E663-A884 PolarHBondContact O-N 3.37Å; A884-Q886 PolarHBondContact O-N 2.91Å
885	A	93.6	Very high	93.5	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.033	19%	0.19	C	C	.	.	S	Bend	trans	-67.1	-3	-174.8	0	0	0	0	0	114.7	R799 N813 M815 S853	R799-A885 VanDerWaalsContact CZ-O 3.23Å; R799-A885 PolarHBondContact NE-O 3.48Å; R799-A885 PolarHBondContact NH2-O 3.29Å; N813-A885 VanDerWaalsContact O-CB 3.29Å; N813-A885 WeakPolarHBondContact O-CB 3.46Å; M815-A885 HydrophobicContact CE-CB 4.08Å; M815-A885 HydrophobicContact CG-CB 3.86Å; M815-A885 HydrophobicContact SD-CB 4.32Å; S853-A885 WeakPolarHBondContact O-CB 3.17Å; S853-A885 PolarHBondContact O-N 2.92Å
886	Q	92.3	Very high	93.7	Very high	73 Å²	73	35.8 Å²	35.8	34%	0.341	18%	0.181	S	C	.	.	S	Bend	trans	-145.3	130.9	-179	-169.8	179.7	61.7	0	0	110.4	I661 N813 A884 K892	I661-Q886 CarbonylContact O-C 3.57Å; I661-Q886 WeakPolarHBondContact O-CA 3.27Å; N813-Q886 PolarHBondContact OD1-NE2 2.64Å; A884-Q886 PolarHBondContact O-N 2.91Å; Q886-K892 HydrophobicContact CG-CD 3.75Å
887	W	94.1	Very high	94	Very high	25 Å²	25	31.6 Å²	31.6	10%	0.095	16%	0.158	C	C	.	.			trans	-63.4	141.8	172.6	-174.9	-102.4	0	0	0	111.8	V579 I661 E663 F681 P683 T889 K892	V579-W887 HydrophobicContact CG1-CD2 4.09Å; V579-W887 HydrophobicContact CG1-CG 4.39Å; V579-W887 HydrophobicContact CG1-CZ2 3.63Å; I661-W887 HydrophobicContact CB-CB 4.16Å; I661-W887 HydrophobicContact CG2-CB 3.89Å; I661-W887 HydrophobicContact CG2-CG 4.31Å; I661-W887 PolarHBondContact O-N 3.29Å; E663-W887 HydrophobicContact CB-CE3 3.78Å; E663-W887 HydrophobicContact CB-CZ3 4.13Å; E663-W887 HydrophobicContact CG-CE3 4.05Å; E663-W887 HydrophobicContact CG-CZ3 3.9Å; F681-W887 HydrophobicContact CB-CH2 4.23Å; P683-W887 HydrophobicContact CB-CD2 4.13Å; P683-W887 HydrophobicContact CB-CE3 3.68Å; P683-W887 HydrophobicContact CB-CH2 4.29Å; P683-W887 HydrophobicContact CB-CZ3 3.78Å; P683-W887 HydrophobicContact CG-CH2 4.38Å; P683-W887 HydrophobicContact CG-CZ3 4.27Å; P683-W887 VanDerWaalsContact N-CZ3 3.32Å; W887-T889 VanDerWaalsContact CD1-OG1 3.23Å; W887-T889 PolarHBondContact NE1-OG1 3.48Å; W887-T889 VanDerWaalsContact NE1-OG1 3.14Å; W887-K892 WeakPolarHBondContact O-CD 3.29Å; W887-K892 PolarHBondContact O-NZ 2.82Å
888	P	88.8	Confident	94.4	Very high	81 Å²	81	29.3 Å²	29.3	53%	0.526	15%	0.146	S	C	.	.	S	Bend	trans	-70.3	-37.8	-171.5	24.2	-35.9	0	0	0	115.2	E663 K892	E663-P888 WeakPolarHBondContact OE2-CD 3.1Å; E663-P888 VanDerWaalsContact OE2-CG 3.29Å; E663-P888 WeakPolarHBondContact OE2-CG 3.34Å; P888-K892 VanDerWaalsContact C-NZ 3.35Å; P888-K892 PolarHBondContact O-NZ 2.91Å
889	T	91.4	Very high	94.5	Very high	45 Å²	45	29.8 Å²	29.8	28%	0.276	15%	0.148	S	C	.	.	S	Bend	trans	-69.8	178.8	-176.4	76.4	0	0	0	0	112.3	A583 W887 V891 K892	A583-T889 HydrophobicContact CB-CG2 4.12Å; W887-T889 VanDerWaalsContact CD1-OG1 3.23Å; W887-T889 PolarHBondContact NE1-OG1 3.48Å; W887-T889 VanDerWaalsContact NE1-OG1 3.14Å; T889-V891 PolarHBondContact O-N 3.26Å; T889-V891 PolarHBondContact OG1-N 2.89Å; T889-K892 VanDerWaalsContact O-CD 3.25Å; T889-K892 WeakPolarHBondContact O-CD 3.23Å; T889-K892 WeakPolarHBondContact O-CE 3.24Å; T889-K892 PolarHBondContact O-NZ 3.4Å
890	H	89.8	Confident	94.5	Very high	68 Å²	68	27.7 Å²	27.7	32%	0.315	14%	0.144	S	C	.	.	S	Bend	trans	-67	-13.5	175.4	73.8	-95.9	0	0	0	113.4	L582 A583 K585 K892	L582-H890 PolarHBondContact O-CE1 3.43Å; L582-H890 PolarHBondContact O-NE2 3.46Å; A583-H890 PolarHBondContact O-CE1 3.11Å; K585-H890 PolarHBondContact O-CE1 3.05Å; H890-K892 VanDerWaalsContact C-N 3.25Å; H890-K892 PolarHBondContact O-N 3.08Å
891	V	94.5	Very high	94.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.			trans	-77.7	74	177.8	-169.9	0	0	0	0	109.4	F578 V579 L582 L590 I661 T889	F578-V891 HydrophobicContact CD1-CG1 4.13Å; F578-V891 HydrophobicContact CE1-CG1 3.7Å; F578-V891 HydrophobicContact CZ-CG1 4.5Å; V579-V891 HydrophobicContact CG2-CG1 3.98Å; L582-V891 HydrophobicContact CB-CG2 3.92Å; L590-V891 HydrophobicContact CD2-CB 4.42Å; L590-V891 HydrophobicContact CD2-CG1 3.87Å; L590-V891 HydrophobicContact CD2-CG2 4.27Å; I661-V891 HydrophobicContact CD1-CG1 4.08Å; T889-V891 PolarHBondContact O-N 3.26Å; T889-V891 PolarHBondContact OG1-N 2.89Å
892	K	92.8	Very high	93.5	Very high	49 Å²	49	32.2 Å²	32.2	21%	0.213	17%	0.166	C	C	.	.			trans	-81.3	-21.4	-176.5	-59.1	-50.8	-166.7	-161.2	0	114.3	I661 Q886 W887 P888 T889 H890	I661-K892 PolarHBondContact N-O 3.28Å; Q886-K892 HydrophobicContact CG-CD 3.75Å; W887-K892 WeakPolarHBondContact O-CD 3.29Å; W887-K892 PolarHBondContact O-NZ 2.82Å; P888-K892 VanDerWaalsContact C-NZ 3.35Å; P888-K892 PolarHBondContact O-NZ 2.91Å; T889-K892 VanDerWaalsContact O-CD 3.25Å; T889-K892 WeakPolarHBondContact O-CD 3.23Å; T889-K892 WeakPolarHBondContact O-CE 3.24Å; T889-K892 PolarHBondContact O-NZ 3.4Å; H890-K892 VanDerWaalsContact C-N 3.25Å; H890-K892 PolarHBondContact O-N 3.08Å
893	Y	94.3	Very high	92.3	Very high	77 Å²	77	39.5 Å²	39.5	30%	0.302	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147.9	-171.4	-53.2	-83.2	0	0	0	112.2	Q658 L659 P660 I661	Q658-Y893 HydrophobicContact CB-CD1 3.84Å; Q658-Y893 HydrophobicContact CB-CG 3.89Å; L659-Y893 CarbonylContact O-C 3.48Å; L659-Y893 VanDerWaalsContact O-CA 3.24Å; L659-Y893 WeakPolarHBondContact O-CA 3.26Å; P660-Y893 HydrophobicContact CB-CD1 3.97Å; P660-Y893 HydrophobicContact CB-CE1 3.96Å; I661-Y893 VanDerWaalsContact CD1-C 3.44Å
894	L	96.1	Very high	90.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.2	167	-175.1	73.7	0	0	0	108.7	L571 L575 F578 F595 L659 I661 I685 V896	L571-L894 HydrophobicContact CD1-CD2 4.38Å; L575-L894 HydrophobicContact CD1-CB 4.31Å; L575-L894 HydrophobicContact CD1-CD1 4.14Å; L575-L894 HydrophobicContact CD1-CD2 4.44Å; F578-L894 HydrophobicContact CD1-CD1 3.56Å; F578-L894 HydrophobicContact CE1-CD1 3.8Å; F578-L894 HydrophobicContact CG-CD1 4.05Å; F578-L894 HydrophobicContact CZ-CD1 4.46Å; F595-L894 HydrophobicContact CD2-CD1 3.47Å; F595-L894 VanDerWaalsContact CD2-CD1 3.47Å; F595-L894 HydrophobicContact CD2-CG 4Å; F595-L894 HydrophobicContact CE2-CD1 3.55Å; F595-L894 HydrophobicContact CG-CD1 4.11Å; F595-L894 HydrophobicContact CG-CG 4.47Å; F595-L894 HydrophobicContact CZ-CD1 4.25Å; L659-L894 HydrophobicContact CB-CB 4.37Å; L659-L894 PolarHBondContact N-O 2.88Å; L659-L894 PolarHBondContact O-N 2.98Å; I661-L894 HydrophobicContact CD1-CB 4.38Å; I661-L894 HydrophobicContact CG1-CB 4.44Å; I685-L894 HydrophobicContact CD1-CD2 3.8Å; L894-V896 HydrophobicContact CD2-CG2 4.1Å; L894-V896 HydrophobicContact CG-CG2 4.24Å; L894-V896 PolarHBondContact O-N 3.44Å; L894-V896 VanDerWaalsContact O-N 3.12Å
895	P	95.8	Very high	87.7	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.032	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	98	-176.9	30.3	-34.5	0	0	0	110.9	F578 M593 R594 F595 T656	F578-P895 HydrophobicContact CZ-CG 4.19Å; M593-P895 WeakPolarHBondContact O-CG 3.15Å; R594-P895 CarbonylContact C-O 3.53Å; R594-P895 WeakPolarHBondContact CA-O 3.43Å; F595-P895 HydrophobicContact CD2-CG 4.33Å; F595-P895 PolarHBondContact N-O 3.43Å; T656-P895 HydrophobicContact CG2-CB 3.78Å
896	V	96.9	Very high	84.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	138.3	-179.7	174.7	0	0	0	0	111.2	F595 V597 L609 T656 H657 L659 L894	F595-V896 HydrophobicContact CB-CG2 4.38Å; F595-V896 CarbonylContact O-C 3.5Å; F595-V896 VanDerWaalsContact O-CA 3.25Å; F595-V896 WeakPolarHBondContact O-CA 3.33Å; V597-V896 HydrophobicContact CG2-CG1 4.27Å; V597-V896 HydrophobicContact CG2-CG2 4.4Å; L609-V896 HydrophobicContact CD1-CG1 3.84Å; L609-V896 HydrophobicContact CD2-CG1 3.86Å; T656-V896 CarbonylContact C-O 3.51Å; T656-V896 WeakPolarHBondContact CA-O 3.39Å; H657-V896 PolarHBondContact N-O 2.66Å; H657-V896 PolarHBondContact O-N 2.94Å; L659-V896 HydrophobicContact CD1-CB 4.4Å; L659-V896 HydrophobicContact CD1-CG2 3.6Å; L659-V896 HydrophobicContact CG-CB 4.48Å; L659-V896 HydrophobicContact CG-CG2 4.02Å; L894-V896 HydrophobicContact CD2-CG2 4.1Å; L894-V896 HydrophobicContact CG-CG2 4.24Å; L894-V896 PolarHBondContact O-N 3.44Å; L894-V896 VanDerWaalsContact O-N 3.12Å
897	G	96.8	Very high	84.5	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	140.5	175.3	0	0	0	0	0	113.4	F595 Y649 V655	F595-G897 PolarHBondContact O-N 3.18Å; Y649-G897 PolarHBondContact OH-O 2.79Å; V655-G897 WeakPolarHBondContact O-CA 3.46Å
898	L	96.6	Very high	83.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	152.9	172.2	-72.1	-179.7	0	0	0	110.6	L609 L612 D613 T653 S654 V655 H657 G900 Y901	L609-L898 HydrophobicContact CB-CD2 4.17Å; L609-L898 HydrophobicContact CD2-CD2 4.06Å; L612-L898 HydrophobicContact CB-CD1 4.07Å; L612-L898 HydrophobicContact CD1-CD1 4.43Å; D613-L898 HydrophobicContact CB-CB 4.5Å; D613-L898 HydrophobicContact CB-CD1 4.27Å; D613-L898 HydrophobicContact CB-CD2 3.89Å; D613-L898 HydrophobicContact CB-CG 4.45Å; D613-L898 WeakPolarHBondContact OD2-CB 3.3Å; T653-L898 WeakPolarHBondContact CA-O 2.94Å; S654-L898 PolarHBondContact N-O 2.84Å; V655-L898 HydrophobicContact CB-CB 4.26Å; V655-L898 HydrophobicContact CG1-CB 4.4Å; V655-L898 PolarHBondContact N-O 3.19Å; V655-L898 PolarHBondContact O-N 2.96Å; H657-L898 HydrophobicContact CB-CD1 3.81Å; H657-L898 HydrophobicContact CB-CG 4.28Å; L898-G900 VanDerWaalsContact C-N 3.25Å; L898-Y901 HydrophobicContact CD1-CD1 4.27Å; L898-Y901 HydrophobicContact CD1-CE1 3.97Å
899	F	95.6	Very high	83.7	Confident	10 Å²	10	58.6 Å²	58.6	4%	0.044	32%	0.324	C	S	.	.	S	Bend	trans	-65.3	-33.1	169.9	-67.7	-87.2	0	0	0	111.4	D613 R615 Q648 Y649 S654	D613-F899 WeakPolarHBondContact OD2-CA 3.39Å; D613-F899 VanDerWaalsContact OD2-CB 3.24Å; D613-F899 WeakPolarHBondContact OD2-CB 3.38Å; D613-F899 PolarHBondContact OD2-N 3.12Å; R615-F899 HydrophobicContact CB-CB 4.01Å; R615-F899 HydrophobicContact CB-CD2 3.91Å; R615-F899 HydrophobicContact CB-CE2 4.43Å; R615-F899 HydrophobicContact CB-CG 3.99Å; R615-F899 PolarHBondContact NH2-O 2.78Å; Q648-F899 WeakPolarHBondContact O-CE1 2.98Å; Y649-F899 VanDerWaalsContact CA-CZ 3.46Å; Y649-F899 AromaticContact CD2-CD2 3.99Å; Y649-F899 HydrophobicContact CD2-CD2 3.99Å; Y649-F899 HydrophobicContact CD2-CE1 4.45Å; Y649-F899 AromaticContact CD2-CE2 3.61Å; Y649-F899 HydrophobicContact CD2-CE2 3.61Å; Y649-F899 AromaticContact CD2-CZ 3.89Å; Y649-F899 HydrophobicContact CD2-CZ 3.89Å; Y649-F899 HydrophobicContact CE2-CD2 4.41Å; Y649-F899 HydrophobicContact CE2-CE2 4.35Å; Y649-F899 HydrophobicContact CG-CE2 4.14Å; Y649-F899 HydrophobicContact CG-CZ 4.18Å; S654-F899 PolarHBondContact OG-O 3.18Å
900	G	91.9	Very high	83.2	Confident	18 Å²	18	59.4 Å²	59.4	19%	0.186	33%	0.327	C	S	.	.			trans	160.5	153.3	173.2	0	0	0	0	0	111.7	D613 L898 S902	D613-G900 WeakPolarHBondContact CB-O 3.12Å; D613-G900 PolarHBondContact OD2-N 2.89Å; L898-G900 VanDerWaalsContact C-N 3.25Å; G900-S902 PolarHBondContact O-N 3.44Å
901	Y	88.8	Confident	82.8	Confident	122 Å²	122	58.9 Å²	58.9	48%	0.478	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-64.8	134.3	176.7	-67.2	-63.8	0	0	0	111.4	L612 V655 H657 L898 K903	L612-Y901 HydrophobicContact CB-CD1 4.32Å; L612-Y901 CarbonylContact O-C 3.55Å; L612-Y901 VanDerWaalsContact O-CA 3.32Å; L612-Y901 WeakPolarHBondContact O-CA 3.36Å; V655-Y901 HydrophobicContact CG1-CD2 4.05Å; V655-Y901 HydrophobicContact CG1-CE2 3.54Å; H657-Y901 HydrophobicContact CB-CE1 4.45Å; H657-Y901 AromaticContact ND1-CE1 3.67Å; H657-Y901 AromaticContact ND1-CZ 3.77Å; H657-Y901 PolarHBondContact ND1-OH 3.2Å; L898-Y901 HydrophobicContact CD1-CD1 4.27Å; L898-Y901 HydrophobicContact CD1-CE1 3.97Å; Y901-K903 PolarHBondContact O-N 2.66Å
902	S	83.3	Confident	82	Confident	35 Å²	35	62.8 Å²	62.8	25%	0.245	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-54.9	132	165.5	-68.8	0	0	0	0	109.6	L612 D613 N614 G900	L612-S902 PolarHBondContact O-N 3.5Å; D613-S902 WeakPolarHBondContact CA-OG 3.04Å; N614-S902 PolarHBondContact N-OG 2.65Å; N614-S902 PolarHBondContact OD1-OG 2.68Å; G900-S902 PolarHBondContact O-N 3.44Å
903	K	70.5	Confident	81.3	Confident	191 Å²	191	63.8 Å²	63.8	83%	0.83	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-62.1	137.6	166.9	-67	-177.1	178.4	-178.4	0	108	Y901	Y901-K903 PolarHBondContact O-N 2.66Å
904	P	52.6	Low	80.3	Confident	112 Å²	112	62.8 Å²	62.8	73%	0.727	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-58.8	149.6	167.1	27.8	-34.3	0	0	0	109.2	S906	P904-S906 PolarHBondContact O-N 3.17Å
905	P	44.8	Very low	78.9	Confident	133 Å²	133	68 Å²	68	86%	0.864	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-58	132.5	167	27	-33.5	0	0	0	109
906	S	33.9	Very low	77.4	Confident	190 Å²	190	73.7 Å²	73.7	100%	1.329	43%	0.428	S	S	*	.			trans	-87.6	0	-177.1	57.9	0	0	0	0	112.4	P904	P904-S906 PolarHBondContact O-N 3.17Å

Retrieved 906 of 906 residues in 946 ms (Link to these results)

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