A0A3Q0KN35_SCHMA Loading...

Tensin-related AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KN35, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,117 aa.

						>A0A3Q0KN35_SCHMA|A0A3Q0KN35
MIFNGALMKDETIYRHSLYVGSFPVDEQDNACRAQKVQRELESLRCFTRSKSVIVCVSISGIKICSDDLKVVYMAHALRRISYATCDAVHKQVAFLAREPTGFGNLQYCHVFVTESPCDAEELNRLIGNAFKFAYVRQRLIKLHQTGKHDFSTPVNIPQLSDCHPVWLPQTERNSNSLSLLSTFKLPPPPKFPPPVSIANGTTAEQQTNLSSPGIHYTNTDVISTCDDPVASISTTMSTLCHDSLESSAVNMYKKDTVKHESLPVTENPTTSSSSSDNDPNQLSVHSDSVLVRDKEGLNNISQSNKDASELEKKLHRISTPQAIDLAFLRRHFLRRSEGKGSENSKNVCGGSARQPRLRQGSTLSNLLSSARHSSFFPSSSSCVIDSTNILPKTSQSQETPDMSDILNTPNPTRRPPIFVDLRTFAGGSPVVALKERLDAQAIADAKASAFAEAAAVLAAAKQVSSRSLAPLQPTTNNTSKNVEQLTKPTMCPFTSRTPNSSSSGNSSSVETSDLSPPIPPVRMHSLRRSHEQFNSRNFSPHLSTSSPVPEGLFNELDKDEDREIVESIEAVMKAASYDSNSPKETKPKHQNTECNPSNITSYRNTTLLIDVPDVPCHSKDFKQQHIDGPRISQPGVYKQIQNSVRSSEFHGNIHGSSENSYLLGNMGSQPQSQYPFEQLIELNRNDTQQDKPHSYTPDMNCINSSLHDPLQVLADTTFQDTHRKQMFPSTVSSNVRVMPTPGSIMSTSSLSTDTPTPTATPTPTPEQTSQFQGCNKIASDSDNSLNQAPWFQAMLPREIAFELLAKEEVGSFLVRNSATHPGCCALSVRVPNKDNPIGITHYLIQKTNRGVRLKGLDKEWPSLQALVTHLTVIPEMLPCPLKLPQYTTNPIFTQSDLQLTNGPSNEIPKQQRNYNIRSSQTEAGENNRVTNSDLSSHHPQRILHSVADLPCRPVLPSCATISHFSPANPFDQNLSSHNMITKDPPVLGSYQVSNLSQCKSQIPNWLGNDNNHLSTKNSAESSNQISLKTDCVLWKQNSVDLACISQSEYTDEQRFMNETNNRNNRKLSYTTNDLPKNNACLLLDYSEEDEDYQRLSDFSSILADLNLAHERPLTSC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	33.2	Very low	44.8	Very low	240 Å²	240	117.5 Å²	117.5	100%	1.182	64%	0.636	S	S	*	*				0	119.2	0	-70.5	164.7	172.6	0	0	107.4
2	I	31.4	Very low	48.2	Very low	162 Å²	162	110.5 Å²	110.5	83%	0.831	60%	0.6	S	S	*	*			trans	-97.5	99.4	178.3	-59.5	172.2	0	0	0	106.8	N4	I2-N4 PolarHBondContact O-N 3.33Å
3	F	35.3	Very low	51.6	Low	180 Å²	180	102.1 Å²	102.1	79%	0.789	56%	0.555	S	S	*	*			trans	-69.6	122.4	161.7	-110.8	-93.5	0	0	0	107.1	G5	F3-G5 PolarHBondContact O-N 2.98Å
4	N	35	Very low	54.5	Low	141 Å²	141	99.8 Å²	99.8	75%	0.754	54%	0.535	S	S	*	.			trans	-62.8	105.3	170.3	-85.7	-29.9	0	0	0	108.1	I2 A6	I2-N4 PolarHBondContact O-N 3.33Å; N4-A6 PolarHBondContact O-N 3.47Å
5	G	32.9	Very low	57.2	Low	79 Å²	79	94.8 Å²	94.8	81%	0.814	51%	0.505	S	S	*	.			trans	-65	10.3	-178.1	0	0	0	0	0	115.2	F3 L7	F3-G5 PolarHBondContact O-N 2.98Å; G5-L7 PolarHBondContact O-N 3.3Å
6	A	38.7	Very low	59.5	Low	71 Å²	71	92.3 Å²	92.3	59%	0.587	49%	0.49	S	S	*	.			trans	-73	61.7	167.7	0	0	0	0	0	110.8	N4 M8	N4-A6 PolarHBondContact O-N 3.47Å; A6-M8 PolarHBondContact O-N 3.27Å
7	L	44	Very low	61.6	Low	124 Å²	124	86.9 Å²	86.9	65%	0.649	46%	0.461	S	S	*	.			trans	-51.7	113.6	154.7	171.4	65.9	0	0	0	106.1	G5 K9	G5-L7 PolarHBondContact O-N 3.3Å; L7-K9 PolarHBondContact O-N 3.09Å
8	M	51.4	Low	63.5	Low	25 Å²	25	85.4 Å²	85.4	12%	0.123	45%	0.453	C	S	.	.			trans	-28.3	115	-159.1	-55.5	-165.2	-54.2	0	0	112.5	A6 D10 I59 R137 I157	A6-M8 PolarHBondContact O-N 3.27Å; M8-D10 PolarHBondContact O-N 2.81Å; M8-I59 HydrophobicContact CB-CD1 3.89Å; M8-I59 HydrophobicContact CE-CD1 3.77Å; M8-R137 HydrophobicContact CE-CB 3.9Å; M8-R137 HydrophobicContact CE-CG 3.96Å; M8-R137 PolarHBondContact O-NH2 3.04Å; M8-I157 HydrophobicContact SD-CB 4.11Å; M8-I157 HydrophobicContact SD-CD1 4.19Å; M8-I157 HydrophobicContact SD-CG2 3.84Å
9	K	51.4	Low	65.3	Low	146 Å²	146	83.9 Å²	83.9	64%	0.635	44%	0.441	S	S	*	.			trans	-52.9	136.2	172.4	-75.3	179.6	178	174.2	0	106.8	L7 E11	L7-K9 PolarHBondContact O-N 3.09Å; K9-E11 PolarHBondContact O-N 2.99Å
10	D	60.9	Low	66.8	Low	77 Å²	77	80.8 Å²	80.8	41%	0.412	43%	0.425	S	S	.	.			trans	-73.4	69.2	-179.2	-84.4	14.8	0	0	0	109.7	M8 T12 S60 R137	M8-D10 PolarHBondContact O-N 2.81Å; D10-T12 PolarHBondContact O-N 3.49Å; D10-T12 PolarHBondContact O-OG1 3.41Å; D10-S60 VanDerWaalsContact CG-OG 3.29Å; D10-S60 PolarHBondContact OD1-OG 3.2Å; D10-S60 VanDerWaalsContact OD2-CB 3.31Å; D10-S60 WeakPolarHBondContact OD2-CB 3.43Å; D10-S60 PolarHBondContact OD2-OG 3.16Å; D10-R137 IonicContact OD1-CZ 2.76Å; D10-R137 IonicContact OD1-NH1 2.71Å; D10-R137 PolarHBondContact OD1-NH1 3.07Å; D10-R137 IonicContact OD1-NH2 2.9Å; D10-R137 PolarHBondContact OD1-NH2 2.91Å
11	E	78.2	Confident	68	Low	48 Å²	48	77.7 Å²	77.7	22%	0.224	41%	0.412	C	S	.	.			trans	-55.7	127.8	175.1	-67.5	-165.6	158.5	0	0	109.2	K9 S58 Q159 S161	K9-E11 PolarHBondContact O-N 2.99Å; E11-S58 WeakPolarHBondContact O-CA 3.28Å; E11-S58 VanDerWaalsContact O-CB 3.26Å; E11-S58 WeakPolarHBondContact O-CB 3.28Å; E11-Q159 PolarHBondContact OE1-NE2 3.03Å; E11-Q159 PolarHBondContact OE1-OE1 3.24Å; E11-Q159 VanDerWaalsContact OE2-CB 3.28Å; E11-Q159 WeakPolarHBondContact OE2-CB 3.1Å; E11-S161 VanDerWaalsContact CD-OG 3.25Å; E11-S161 PolarHBondContact OE1-OG 3.45Å; E11-S161 WeakPolarHBondContact OE2-CB 3.47Å; E11-S161 PolarHBondContact OE2-N 3.33Å; E11-S161 PolarHBondContact OE2-OG 2.76Å
12	T	86.2	Confident	70.9	Confident	33 Å²	33	68.6 Å²	68.6	20%	0.202	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.5	-176.8	-60	0	0	0	0	107.5	D10 Y14 C56 V57	D10-T12 PolarHBondContact O-N 3.49Å; D10-T12 PolarHBondContact O-OG1 3.41Å; T12-Y14 HydrophobicContact CG2-CE1 4.12Å; T12-Y14 HydrophobicContact CG2-CE2 4.44Å; T12-Y14 WeakPolarHBondContact O-CE2 3.15Å; T12-C56 HydrophobicContact CG2-CB 3.69Å; T12-V57 CarbonylContact C-O 3.57Å; T12-V57 WeakPolarHBondContact CA-O 3.13Å
13	I	91.7	Very high	73.9	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.4	-178.2	-62.1	-174.3	0	0	0	108.7	R15 C56 V57 L126 L160 H164	I13-R15 VanDerWaalsContact CG2-NH1 3.3Å; I13-C56 CarbonylContact O-C 3.48Å; I13-C56 WeakPolarHBondContact O-CA 3.47Å; I13-V57 PolarHBondContact N-O 2.99Å; I13-V57 PolarHBondContact O-N 2.89Å; I13-L126 HydrophobicContact CB-CD1 4.15Å; I13-L126 HydrophobicContact CB-CD2 4.09Å; I13-L126 HydrophobicContact CD1-CD1 3.93Å; I13-L126 HydrophobicContact CG2-CD1 4.29Å; I13-L126 HydrophobicContact CG2-CD2 3.74Å; I13-L160 HydrophobicContact CD1-CB 4.13Å; I13-L160 HydrophobicContact CD1-CD2 4.26Å; I13-L160 HydrophobicContact CD1-CG 3.86Å; I13-L160 VanDerWaalsContact CD1-O 3.31Å; I13-L160 WeakPolarHBondContact CD1-O 3.43Å; I13-L160 HydrophobicContact CG1-CD2 4.43Å; I13-H164 HydrophobicContact CD1-CB 3.67Å
14	Y	93.2	Very high	76.6	Confident	70 Å²	70	56 Å²	56	28%	0.275	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.4	-174.8	-55.7	-86.2	0	0	0	109.3	T12 I54 C56 L69 W167	T12-Y14 HydrophobicContact CG2-CE1 4.12Å; T12-Y14 HydrophobicContact CG2-CE2 4.44Å; T12-Y14 WeakPolarHBondContact O-CE2 3.15Å; Y14-I54 HydrophobicContact CD1-CG2 3.86Å; Y14-I54 HydrophobicContact CG-CG2 4.34Å; Y14-C56 HydrophobicContact CD1-CB 4.25Å; Y14-C56 WeakPolarHBondContact CD1-SG 3.4Å; Y14-C56 HydrophobicContact CE1-CB 4.25Å; Y14-L69 HydrophobicContact CD1-CD1 4.26Å; Y14-L69 HydrophobicContact CD1-CD2 4.18Å; Y14-L69 HydrophobicContact CE1-CD1 4.08Å; Y14-L69 HydrophobicContact CE1-CD2 4.26Å; Y14-W167 WeakPolarHBondContact O-CB 3.46Å
15	R	94.2	Very high	79.2	Confident	25 Å²	25	49.3 Å²	49.3	9%	0.094	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.6	169	-68.5	-67.4	176.4	-90.8	5.3	108.7	I13 I54 V55 E122 L123 L126 P165	I13-R15 VanDerWaalsContact CG2-NH1 3.3Å; R15-I54 CarbonylContact O-C 3.49Å; R15-I54 WeakPolarHBondContact O-CA 3.26Å; R15-V55 PolarHBondContact N-O 2.56Å; R15-V55 PolarHBondContact O-N 3.36Å; R15-E122 IonicContact CZ-OE1 2.86Å; R15-E122 IonicContact NE-OE1 2.87Å; R15-E122 PolarHBondContact NE-OE1 3.35Å; R15-E122 IonicContact NH2-OE1 3.86Å; R15-E122 PolarHBondContact NH2-OE1 2.86Å; R15-L123 HydrophobicContact CB-CD1 4.29Å; R15-L123 HydrophobicContact CG-CD1 4.34Å; R15-L126 HydrophobicContact CG-CD2 4.15Å; R15-P165 VanDerWaalsContact CZ-O 3.29Å; R15-P165 PolarHBondContact NH1-O 3.07Å; R15-P165 PolarHBondContact NH2-O 3.03Å
16	H	94.7	Very high	81.7	Confident	55 Å²	55	50.1 Å²	50.1	26%	0.255	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	143.9	173.9	-176.9	-83.9	0	0	0	110.1	S52 D67 E115	H16-S52 PolarHBondContact NE2-OG 3.04Å; H16-D67 IonicContact CD2-OD1 3.88Å; H16-D67 IonicContact NE2-OD1 3.52Å; H16-E115 IonicContact ND1-OE1 2.76Å
17	S	95.4	Very high	83.7	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	159.2	174.9	-60.4	0	0	0	0	111.7	V53 V113	S17-V53 PolarHBondContact N-O 3.2Å; S17-V53 VanDerWaalsContact O-CG2 3.24Å; S17-V53 WeakPolarHBondContact O-CG2 3.43Å; S17-V53 PolarHBondContact O-N 3.26Å; S17-V113 WeakPolarHBondContact CA-O 3.43Å
18	L	95.9	Very high	85.1	Confident	60 Å²	60	49.2 Å²	49.2	31%	0.314	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	110.2	165.9	-58.6	-179.1	0	0	0	109.1	V20 K51 F112 V113	L18-V20 PolarHBondContact O-N 2.8Å; L18-K51 CarbonylContact C-O 3.12Å; L18-K51 WeakPolarHBondContact CA-O 3.29Å; L18-F112 CarbonylContact O-C 3.6Å; L18-F112 WeakPolarHBondContact O-CA 3.29Å; L18-V113 HydrophobicContact CB-CB 4.41Å; L18-V113 PolarHBondContact N-O 3.01Å; L18-V113 PolarHBondContact O-N 3.45Å
19	Y	96.8	Very high	86.7	Confident	57 Å²	57	52.4 Å²	52.4	22%	0.224	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	122.2	170.5	173.8	-115.1	0	0	0	109.6	G21 S22 S50 K51 M74 V111 F112	Y19-G21 WeakPolarHBondContact CE2-O 3.46Å; Y19-G21 VanDerWaalsContact OH-C 3.29Å; Y19-S22 PolarHBondContact OH-OG 2.57Å; Y19-S50 CarbonylContact O-C 3.55Å; Y19-S50 VanDerWaalsContact O-CA 3.24Å; Y19-S50 WeakPolarHBondContact O-CA 3.3Å; Y19-K51 PolarHBondContact N-O 3.27Å; Y19-K51 PolarHBondContact O-N 3Å; Y19-M74 HydrophobicContact CD2-CE 4.07Å; Y19-M74 HydrophobicContact CE2-CE 3.63Å; Y19-V111 WeakPolarHBondContact CD2-O 3.47Å; Y19-F112 AromaticContact CD2-CD1 4Å; Y19-F112 HydrophobicContact CD2-CD1 4Å; Y19-F112 AromaticContact CD2-CE1 3.58Å; Y19-F112 HydrophobicContact CD2-CE1 3.58Å; Y19-F112 AromaticContact CD2-CZ 3.95Å; Y19-F112 HydrophobicContact CD2-CZ 3.95Å; Y19-F112 HydrophobicContact CE2-CE1 4.48Å; Y19-F112 HydrophobicContact CE2-CZ 4.44Å; Y19-F112 HydrophobicContact CG-CE1 4.23Å
20	V	94.6	Very high	88.2	Confident	21 Å²	21	50 Å²	50	13%	0.127	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-43.9	-177.6	174.5	0	0	0	0	110.9	L18 L44 F47 V111 V113	L18-V20 PolarHBondContact O-N 2.8Å; V20-L44 HydrophobicContact CG1-CD2 4.25Å; V20-F47 HydrophobicContact CG1-CB 3.61Å; V20-F47 HydrophobicContact CG1-CD1 4.38Å; V20-F47 HydrophobicContact CG1-CG 4Å; V20-F47 HydrophobicContact CG2-CD1 4.02Å; V20-F47 HydrophobicContact CG2-CD2 4.37Å; V20-F47 HydrophobicContact CG2-CE1 4.29Å; V20-F47 HydrophobicContact CG2-CG 4.07Å; V20-V111 HydrophobicContact CB-CB 4.45Å; V20-V111 HydrophobicContact CB-CG1 4.32Å; V20-V111 PolarHBondContact N-O 3.25Å; V20-V113 HydrophobicContact CG2-CB 4.32Å; V20-V113 HydrophobicContact CG2-CG2 3.64Å
21	G	93.5	Very high	89.4	Confident	16 Å²	16	49 Å²	49	17%	0.165	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.3	-166.8	-178.6	0	0	0	0	0	113.5	Y19 V111	Y19-G21 WeakPolarHBondContact CE2-O 3.46Å; Y19-G21 VanDerWaalsContact OH-C 3.29Å; G21-V111 PolarHBondContact O-N 2.9Å
22	S	93.6	Very high	89.8	Confident	50 Å²	50	49.2 Å²	49.2	35%	0.35	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	146.8	176.7	-65.3	0	0	0	0	112.6	Y19 C109 H110	Y19-S22 PolarHBondContact OH-OG 2.57Å; S22-C109 WeakPolarHBondContact CA-O 3.5Å; S22-C109 VanDerWaalsContact CB-O 3.31Å; S22-C109 WeakPolarHBondContact CB-O 3.44Å; S22-C109 PolarHBondContact OG-O 3.39Å; S22-H110 PolarHBondContact OG-ND1 3.02Å
23	F	93.4	Very high	89.9	Confident	17 Å²	17	48.8 Å²	48.8	8%	0.075	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	149.7	177.5	58.7	-93.3	0	0	0	111.4	V25 V37 E40 L44 Y108 C109 V111	F23-V25 HydrophobicContact CD2-CG2 3.72Å; F23-V25 HydrophobicContact CE2-CG2 3.57Å; F23-V37 HydrophobicContact CE2-CG2 4.25Å; F23-V37 HydrophobicContact CZ-CG1 4.4Å; F23-V37 HydrophobicContact CZ-CG2 4.37Å; F23-E40 HydrophobicContact CD1-CB 4Å; F23-E40 HydrophobicContact CD2-CB 3.99Å; F23-E40 HydrophobicContact CD2-CG 3.81Å; F23-E40 HydrophobicContact CE1-CB 3.57Å; F23-E40 HydrophobicContact CE1-CG 4.45Å; F23-E40 HydrophobicContact CE2-CB 3.56Å; F23-E40 HydrophobicContact CE2-CG 3.67Å; F23-E40 HydrophobicContact CG-CB 4.19Å; F23-E40 HydrophobicContact CG-CG 4.26Å; F23-E40 HydrophobicContact CZ-CB 3.33Å; F23-E40 HydrophobicContact CZ-CG 4.01Å; F23-L44 HydrophobicContact CD1-CD1 3.85Å; F23-L44 HydrophobicContact CE1-CD1 3.97Å; F23-Y108 WeakPolarHBondContact O-CA 3.47Å; F23-C109 HydrophobicContact CD1-CB 4.18Å; F23-C109 HydrophobicContact CD2-CB 3.92Å; F23-C109 HydrophobicContact CE1-CB 3.74Å; F23-C109 HydrophobicContact CE2-CB 3.44Å; F23-C109 VanDerWaalsContact CE2-CB 3.44Å; F23-C109 HydrophobicContact CG-CB 4.27Å; F23-C109 HydrophobicContact CZ-CB 3.35Å; F23-C109 VanDerWaalsContact CZ-SG 3.57Å; F23-C109 PolarHBondContact N-O 2.91Å; F23-C109 VanDerWaalsContact N-O 3.16Å; F23-C109 PolarHBondContact O-N 3.39Å; F23-V111 HydrophobicContact CD1-CG2 4.27Å; F23-V111 HydrophobicContact CE1-CG2 3.67Å
24	P	92	Very high	89.7	Confident	61 Å²	61	50.1 Å²	50.1	40%	0.396	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	147.7	177.8	32.1	-34.8	0	0	0	112.2	K36 L106 Q107 Y108	P24-K36 WeakPolarHBondContact O-CE 3.43Å; P24-K36 PolarHBondContact O-NZ 2.92Å; P24-L106 HydrophobicContact CB-CD1 4.1Å; P24-Q107 CarbonylContact C-O 3.5Å; P24-Y108 HydrophobicContact CB-CD1 4.4Å; P24-Y108 HydrophobicContact CB-CE1 4Å
25	V	89.5	Confident	89.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	122.9	179.3	-176	0	0	0	0	107.9	F23 E27 R33 V37 L96 Q107 C109	F23-V25 HydrophobicContact CD2-CG2 3.72Å; F23-V25 HydrophobicContact CE2-CG2 3.57Å; V25-E27 HydrophobicContact CG1-CB 4.5Å; V25-E27 VanDerWaalsContact CG1-OE2 3.32Å; V25-E27 WeakPolarHBondContact CG1-OE2 3.32Å; V25-R33 HydrophobicContact CG1-CG 3.6Å; V25-V37 HydrophobicContact CG2-CG2 4.25Å; V25-L96 HydrophobicContact CB-CD1 3.78Å; V25-L96 HydrophobicContact CG1-CD1 4.27Å; V25-L96 HydrophobicContact CG1-CD2 4.4Å; V25-L96 HydrophobicContact CG2-CD1 3.73Å; V25-Q107 PolarHBondContact N-O 3.42Å; V25-Q107 PolarHBondContact O-N 2.72Å; V25-C109 HydrophobicContact CG2-CB 4.04Å
26	D	85.8	Confident	89.4	Confident	96 Å²	96	52.7 Å²	52.7	51%	0.513	29%	0.289	S	S	.	.			trans	-118.9	-5.1	-167.7	-46.6	-76	0	0	0	110.9	Q28 K36 L106	D26-Q28 PolarHBondContact O-N 3.06Å; D26-K36 IonicContact OD2-NZ 2.66Å; D26-K36 PolarHBondContact OD2-NZ 2.93Å; D26-L106 WeakPolarHBondContact OD1-CD1 3.41Å
27	E	80.3	Confident	89.3	Confident	46 Å²	46	50.1 Å²	50.1	22%	0.215	28%	0.277	C	S	.	.			trans	-74.8	109.9	-170.5	-72.3	66	-159	0	0	111.1	V25 R33 K36	V25-E27 HydrophobicContact CG1-CB 4.5Å; V25-E27 VanDerWaalsContact CG1-OE2 3.32Å; V25-E27 WeakPolarHBondContact CG1-OE2 3.32Å; E27-R33 HydrophobicContact CB-CB 3.93Å; E27-R33 HydrophobicContact CB-CG 4.34Å; E27-R33 WeakPolarHBondContact O-CD 3.31Å; E27-K36 HydrophobicContact CG-CD 4.21Å; E27-K36 WeakPolarHBondContact OE1-CD 3.39Å; E27-K36 IonicContact OE1-NZ 3.17Å; E27-K36 PolarHBondContact OE1-NZ 2.83Å; E27-K36 WeakPolarHBondContact OE2-CD 3.25Å; E27-K36 WeakPolarHBondContact OE2-CE 3.19Å; E27-K36 IonicContact OE2-NZ 2.7Å; E27-K36 PolarHBondContact OE2-NZ 3.38Å
28	Q	75.4	Confident	89.2	Confident	130 Å²	130	55.5 Å²	55.5	61%	0.607	30%	0.302	S	S	*	.			trans	-71.2	-32.9	-178.5	-168.1	63.7	32.8	0	0	113.2	D26 N105	D26-Q28 PolarHBondContact O-N 3.06Å; Q28-N105 PolarHBondContact OE1-ND2 3.44Å
29	D	83.9	Confident	89	Confident	92 Å²	92	59.4 Å²	59.4	49%	0.492	31%	0.313	S	S	.	.	S	Bend	trans	-78.7	135.4	175.7	168.2	52.8	0	0	0	111.8	A31 C32 R33	D29-A31 PolarHBondContact O-N 3.02Å; D29-A31 PolarHBondContact OD1-N 3.43Å; D29-A31 WeakPolarHBondContact OD2-CB 3.27Å; D29-A31 PolarHBondContact OD2-N 3.2Å; D29-A31 VanDerWaalsContact OD2-N 3.15Å; D29-C32 HydrophobicContact CB-CB 4.17Å; D29-C32 WeakPolarHBondContact OD2-CB 3.32Å; D29-C32 PolarHBondContact OD2-N 3.24Å; D29-R33 WeakPolarHBondContact O-CB 3.3Å; D29-R33 PolarHBondContact O-N 3.31Å
30	N	82.8	Confident	88.8	Confident	95 Å²	95	60 Å²	60	51%	0.508	32%	0.318	S	S	.	.	H	α-helix	trans	-66	-35.9	-176.6	-65.1	-49.3	0	0	0	113.1	R33 A34	N30-R33 PolarHBondContact OD1-NH1 3.04Å; N30-R33 PolarHBondContact OD1-NH2 3.42Å; N30-A34 WeakPolarHBondContact O-CB 3.43Å; N30-A34 PolarHBondContact O-N 2.87Å
31	A	85.9	Confident	88.7	Confident	57 Å²	57	59.3 Å²	59.3	47%	0.471	31%	0.314	S	S	.	.	H	α-helix	trans	-74.4	-47.3	-178.4	0	0	0	0	0	111.4	D29 R33 A34 Q35	D29-A31 PolarHBondContact O-N 3.02Å; D29-A31 PolarHBondContact OD1-N 3.43Å; D29-A31 WeakPolarHBondContact OD2-CB 3.27Å; D29-A31 PolarHBondContact OD2-N 3.2Å; D29-A31 VanDerWaalsContact OD2-N 3.15Å; A31-R33 VanDerWaalsContact C-N 3.29Å; A31-R33 PolarHBondContact O-N 3.38Å; A31-A34 PolarHBondContact O-N 2.65Å; A31-Q35 WeakPolarHBondContact O-CG 3.38Å; A31-Q35 PolarHBondContact O-N 3.32Å
32	C	86.5	Confident	88.7	Confident	52 Å²	52	62.1 Å²	62.1	35%	0.351	32%	0.322	S	S	.	.	H	α-helix	trans	-57.9	-41.9	172.3	-172.2	0	0	0	0	111.7	D29 Q35 K36	D29-C32 HydrophobicContact CB-CB 4.17Å; D29-C32 WeakPolarHBondContact OD2-CB 3.32Å; D29-C32 PolarHBondContact OD2-N 3.24Å; C32-Q35 PolarHBondContact O-N 3.47Å; C32-K36 PolarHBondContact O-N 2.56Å
33	R	87.9	Confident	88.6	Confident	24 Å²	24	63.6 Å²	63.6	9%	0.091	33%	0.333	C	S	.	.	H	α-helix	trans	-60.9	-47.6	176.6	-168.3	169.8	84.1	-126.5	1	112.4	V25 E27 D29 N30 A31 K36 V37 S82 L96	V25-R33 HydrophobicContact CG1-CG 3.6Å; E27-R33 HydrophobicContact CB-CB 3.93Å; E27-R33 HydrophobicContact CB-CG 4.34Å; E27-R33 WeakPolarHBondContact O-CD 3.31Å; D29-R33 WeakPolarHBondContact O-CB 3.3Å; D29-R33 PolarHBondContact O-N 3.31Å; N30-R33 PolarHBondContact OD1-NH1 3.04Å; N30-R33 PolarHBondContact OD1-NH2 3.42Å; A31-R33 VanDerWaalsContact C-N 3.29Å; A31-R33 PolarHBondContact O-N 3.38Å; R33-K36 PolarHBondContact O-N 2.94Å; R33-V37 WeakPolarHBondContact O-CG2 3.47Å; R33-V37 PolarHBondContact O-N 3.26Å; R33-S82 PolarHBondContact NH2-O 2.9Å; R33-L96 VanDerWaalsContact CD-CD2 3.43Å; R33-L96 HydrophobicContact CG-CD2 4.03Å
34	A	89	Confident	88.4	Confident	28 Å²	28	65 Å²	65	23%	0.231	34%	0.341	C	S	.	.	H	α-helix	trans	-60.7	-44.8	175.2	0	0	0	0	0	111.6	N30 A31 K36 V37 Q38	N30-A34 WeakPolarHBondContact O-CB 3.43Å; N30-A34 PolarHBondContact O-N 2.87Å; A31-A34 PolarHBondContact O-N 2.65Å; A34-K36 VanDerWaalsContact C-N 3.34Å; A34-K36 PolarHBondContact O-N 3.2Å; A34-V37 PolarHBondContact O-N 3.22Å; A34-Q38 WeakPolarHBondContact O-CB 3.24Å; A34-Q38 PolarHBondContact O-N 3.47Å
35	Q	90.6	Very high	88.3	Confident	117 Å²	117	66.3 Å²	66.3	55%	0.547	34%	0.338	S	S	.	.	H	α-helix	trans	-64.2	-31.3	177.7	-71.6	176.1	4.7	0	0	113.8	A31 C32 R39	A31-Q35 WeakPolarHBondContact O-CG 3.38Å; A31-Q35 PolarHBondContact O-N 3.32Å; C32-Q35 PolarHBondContact O-N 3.47Å; Q35-R39 WeakPolarHBondContact O-CG 3.49Å; Q35-R39 PolarHBondContact O-N 2.91Å; Q35-R39 PolarHBondContact O-NE 2.87Å
36	K	91	Very high	88	Confident	32 Å²	32	71.9 Å²	71.9	14%	0.139	38%	0.375	C	S	.	.	H	α-helix	trans	-72.4	-48.8	171.3	-178	177.7	175.6	178.6	0	111.3	P24 D26 E27 C32 R33 A34 Q38 R39 E40	P24-K36 WeakPolarHBondContact O-CE 3.43Å; P24-K36 PolarHBondContact O-NZ 2.92Å; D26-K36 IonicContact OD2-NZ 2.66Å; D26-K36 PolarHBondContact OD2-NZ 2.93Å; E27-K36 HydrophobicContact CG-CD 4.21Å; E27-K36 WeakPolarHBondContact OE1-CD 3.39Å; E27-K36 IonicContact OE1-NZ 3.17Å; E27-K36 PolarHBondContact OE1-NZ 2.83Å; E27-K36 WeakPolarHBondContact OE2-CD 3.25Å; E27-K36 WeakPolarHBondContact OE2-CE 3.19Å; E27-K36 IonicContact OE2-NZ 2.7Å; E27-K36 PolarHBondContact OE2-NZ 3.38Å; C32-K36 PolarHBondContact O-N 2.56Å; R33-K36 PolarHBondContact O-N 2.94Å; A34-K36 VanDerWaalsContact C-N 3.34Å; A34-K36 PolarHBondContact O-N 3.2Å; K36-Q38 PolarHBondContact O-N 3.11Å; K36-R39 PolarHBondContact O-N 3.16Å; K36-R39 VanDerWaalsContact O-N 3.12Å; K36-E40 HydrophobicContact CG-CG 4.23Å; K36-E40 WeakPolarHBondContact O-CG 3.36Å; K36-E40 PolarHBondContact O-N 2.94Å
37	V	92.5	Very high	88	Confident	1 Å²	1	71 Å²	71	1%	0.006	37%	0.367	C	S	.	.	H	α-helix	trans	-56.6	-40.9	178.1	171.1	0	0	0	0	111.1	F23 V25 R33 A34 E40 L41 Y83 T85	F23-V37 HydrophobicContact CE2-CG2 4.25Å; F23-V37 HydrophobicContact CZ-CG1 4.4Å; F23-V37 HydrophobicContact CZ-CG2 4.37Å; V25-V37 HydrophobicContact CG2-CG2 4.25Å; R33-V37 WeakPolarHBondContact O-CG2 3.47Å; R33-V37 PolarHBondContact O-N 3.26Å; A34-V37 PolarHBondContact O-N 3.22Å; V37-E40 PolarHBondContact O-N 3.18Å; V37-L41 HydrophobicContact CG1-CD1 3.97Å; V37-L41 HydrophobicContact CG1-CG 4.43Å; V37-L41 WeakPolarHBondContact O-CB 3.27Å; V37-L41 VanDerWaalsContact O-CG 3.27Å; V37-L41 WeakPolarHBondContact O-CG 3.22Å; V37-L41 PolarHBondContact O-N 3.44Å; V37-Y83 HydrophobicContact CB-CE1 4.36Å; V37-Y83 HydrophobicContact CG1-CE1 4.08Å; V37-T85 HydrophobicContact CG1-CG2 3.99Å
38	Q	92.1	Very high	88.2	Confident	113 Å²	113	75.4 Å²	75.4	53%	0.528	40%	0.398	S	S	.	.	H	α-helix	trans	-61.7	-49.5	174.5	-177.1	177.7	-18	0	0	112.6	A34 K36 E40 L41 E42	A34-Q38 WeakPolarHBondContact O-CB 3.24Å; A34-Q38 PolarHBondContact O-N 3.47Å; K36-Q38 PolarHBondContact O-N 3.11Å; Q38-E40 VanDerWaalsContact C-N 3.31Å; Q38-E40 PolarHBondContact O-N 3.28Å; Q38-L41 WeakPolarHBondContact O-CB 3.24Å; Q38-L41 PolarHBondContact O-N 2.88Å; Q38-E42 HydrophobicContact CG-CG 4.44Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.44Å; Q38-E42 PolarHBondContact NE2-OE1 2.8Å; Q38-E42 WeakPolarHBondContact O-CB 3.32Å; Q38-E42 VanDerWaalsContact O-CG 3.25Å; Q38-E42 WeakPolarHBondContact O-CG 3.47Å; Q38-E42 PolarHBondContact O-N 2.78Å
39	R	92.5	Very high	88.8	Confident	142 Å²	142	79.3 Å²	79.3	54%	0.536	41%	0.407	S	S	.	.	H	α-helix	trans	-62.6	-35.4	179.1	-75.9	175	-70.5	155.2	-1.6	113.1	Q35 K36 S43	Q35-R39 WeakPolarHBondContact O-CG 3.49Å; Q35-R39 PolarHBondContact O-N 2.91Å; Q35-R39 PolarHBondContact O-NE 2.87Å; K36-R39 PolarHBondContact O-N 3.16Å; K36-R39 VanDerWaalsContact O-N 3.12Å; R39-S43 WeakPolarHBondContact O-CB 3.25Å; R39-S43 PolarHBondContact O-N 3.41Å
40	E	92.2	Very high	89.3	Confident	69 Å²	69	77.7 Å²	77.7	32%	0.322	40%	0.402	S	S	.	.	H	α-helix	trans	-73.4	-35.2	175.4	-66.1	-64.9	166	0	0	111.9	F23 K36 V37 Q38 S43 L44	F23-E40 HydrophobicContact CD1-CB 4Å; F23-E40 HydrophobicContact CD2-CB 3.99Å; F23-E40 HydrophobicContact CD2-CG 3.81Å; F23-E40 HydrophobicContact CE1-CB 3.57Å; F23-E40 HydrophobicContact CE1-CG 4.45Å; F23-E40 HydrophobicContact CE2-CB 3.56Å; F23-E40 HydrophobicContact CE2-CG 3.67Å; F23-E40 HydrophobicContact CG-CB 4.19Å; F23-E40 HydrophobicContact CG-CG 4.26Å; F23-E40 HydrophobicContact CZ-CB 3.33Å; F23-E40 HydrophobicContact CZ-CG 4.01Å; K36-E40 HydrophobicContact CG-CG 4.23Å; K36-E40 WeakPolarHBondContact O-CG 3.36Å; K36-E40 PolarHBondContact O-N 2.94Å; V37-E40 PolarHBondContact O-N 3.18Å; Q38-E40 VanDerWaalsContact C-N 3.31Å; Q38-E40 PolarHBondContact O-N 3.28Å; E40-S43 WeakPolarHBondContact O-CB 3.47Å; E40-S43 PolarHBondContact O-N 3.12Å; E40-L44 WeakPolarHBondContact O-CB 3.48Å; E40-L44 VanDerWaalsContact O-CG 3.22Å; E40-L44 WeakPolarHBondContact O-CG 3.45Å; E40-L44 PolarHBondContact O-N 2.9Å
41	L	92.6	Very high	89.8	Confident	8 Å²	8	77.7 Å²	77.7	4%	0.042	40%	0.398	C	S	.	.	H	α-helix	trans	-62.6	-44.7	169.8	-76.6	170	0	0	0	111.7	V37 Q38 S43 L44 R45 T85 Q92 A94 V111	V37-L41 HydrophobicContact CG1-CD1 3.97Å; V37-L41 HydrophobicContact CG1-CG 4.43Å; V37-L41 WeakPolarHBondContact O-CB 3.27Å; V37-L41 VanDerWaalsContact O-CG 3.27Å; V37-L41 WeakPolarHBondContact O-CG 3.22Å; V37-L41 PolarHBondContact O-N 3.44Å; Q38-L41 WeakPolarHBondContact O-CB 3.24Å; Q38-L41 PolarHBondContact O-N 2.88Å; L41-S43 VanDerWaalsContact C-N 3.32Å; L41-S43 PolarHBondContact O-N 2.79Å; L41-L44 CarbonylContact O-C 3.57Å; L41-L44 PolarHBondContact O-N 2.85Å; L41-L44 VanDerWaalsContact O-N 3.14Å; L41-R45 PolarHBondContact O-N 3.11Å; L41-R45 VanDerWaalsContact O-N 3.16Å; L41-T85 HydrophobicContact CD1-CG2 3.9Å; L41-Q92 HydrophobicContact CD2-CB 4.28Å; L41-Q92 PolarHBondContact O-NE2 2.94Å; L41-Q92 PolarHBondContact O-OE1 3.29Å; L41-A94 HydrophobicContact CD1-CB 4.44Å; L41-A94 HydrophobicContact CD2-CB 3.99Å; L41-V111 HydrophobicContact CD2-CB 4.47Å; L41-V111 HydrophobicContact CD2-CG1 3.7Å; L41-V111 HydrophobicContact CD2-CG2 3.91Å
42	E	92.7	Very high	90.2	Very high	74 Å²	74	76.8 Å²	76.8	35%	0.346	39%	0.388	S	S	.	.	H	α-helix	trans	-57.8	-42.7	174.7	-72	168.1	176.4	0	0	111.7	Q38 R45	Q38-E42 HydrophobicContact CG-CG 4.44Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.44Å; Q38-E42 PolarHBondContact NE2-OE1 2.8Å; Q38-E42 WeakPolarHBondContact O-CB 3.32Å; Q38-E42 VanDerWaalsContact O-CG 3.25Å; Q38-E42 WeakPolarHBondContact O-CG 3.47Å; Q38-E42 PolarHBondContact O-N 2.78Å; E42-R45 WeakPolarHBondContact O-CB 3.4Å; E42-R45 WeakPolarHBondContact O-CD 3.44Å; E42-R45 WeakPolarHBondContact O-CG 3.47Å
43	S	91.4	Very high	90.7	Very high	82 Å²	82	74.3 Å²	74.3	57%	0.573	37%	0.371	S	S	*	.	H	α-helix	trans	-62.5	-45.3	172.2	-176	0	0	0	0	112.4	R39 E40 L41 R45	R39-S43 WeakPolarHBondContact O-CB 3.25Å; R39-S43 PolarHBondContact O-N 3.41Å; E40-S43 WeakPolarHBondContact O-CB 3.47Å; E40-S43 PolarHBondContact O-N 3.12Å; L41-S43 VanDerWaalsContact C-N 3.32Å; L41-S43 PolarHBondContact O-N 2.79Å; S43-R45 PolarHBondContact O-N 2.91Å
44	L	89.6	Confident	91.1	Very high	45 Å²	45	73.2 Å²	73.2	24%	0.236	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-77.5	5	-177.5	-69.4	170.8	0	0	0	114.7	V20 F23 E40 L41 C46 Q92 V111	V20-L44 HydrophobicContact CG1-CD2 4.25Å; F23-L44 HydrophobicContact CD1-CD1 3.85Å; F23-L44 HydrophobicContact CE1-CD1 3.97Å; E40-L44 WeakPolarHBondContact O-CB 3.48Å; E40-L44 VanDerWaalsContact O-CG 3.22Å; E40-L44 WeakPolarHBondContact O-CG 3.45Å; E40-L44 PolarHBondContact O-N 2.9Å; L41-L44 CarbonylContact O-C 3.57Å; L41-L44 PolarHBondContact O-N 2.85Å; L41-L44 VanDerWaalsContact O-N 3.14Å; L44-C46 PolarHBondContact O-N 2.98Å; L44-Q92 PolarHBondContact O-NE2 3.12Å; L44-V111 HydrophobicContact CD1-CB 4.39Å; L44-V111 HydrophobicContact CD1-CG2 3.86Å
45	R	89.8	Confident	91.5	Very high	90 Å²	90	72 Å²	72	34%	0.34	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-60.8	-32.2	170.3	-70.8	172.2	178.3	163.8	-0.9	112.3	L41 E42 S43 D87 H90	L41-R45 PolarHBondContact O-N 3.11Å; L41-R45 VanDerWaalsContact O-N 3.16Å; E42-R45 WeakPolarHBondContact O-CB 3.4Å; E42-R45 WeakPolarHBondContact O-CD 3.44Å; E42-R45 WeakPolarHBondContact O-CG 3.47Å; S43-R45 PolarHBondContact O-N 2.91Å; R45-D87 IonicContact CZ-OD2 2.77Å; R45-D87 IonicContact NE-OD2 2.84Å; R45-D87 PolarHBondContact NE-OD2 3.31Å; R45-D87 IonicContact NH2-OD2 2.74Å; R45-D87 PolarHBondContact NH2-OD2 3.29Å; R45-H90 VanDerWaalsContact CD-CD2 3.44Å; R45-H90 WeakPolarHBondContact CD-CD2 3.26Å; R45-H90 WeakPolarHBondContact CD-NE2 3.5Å; R45-H90 HydrophobicContact CG-CB 4.2Å; R45-H90 PolarHBondContact NE-CE1 2.78Å; R45-H90 PolarHBondContact NE-ND1 3.34Å; R45-H90 VanDerWaalsContact NE-ND1 3.15Å; R45-H90 PolarHBondContact NE-NE2 3.39Å
46	C	84.2	Confident	91.7	Very high	117 Å²	117	66.5 Å²	66.5	79%	0.791	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-103.8	56.6	-178	-67.5	0	0	0	0	112.5	L44	L44-C46 PolarHBondContact O-N 2.98Å
47	F	86.2	Confident	91.9	Very high	76 Å²	76	65 Å²	65	33%	0.333	33%	0.325	S	S	.	.			trans	-75.7	137.5	-178.6	62.6	-88.8	0	0	0	113.2	V20 V113	V20-F47 HydrophobicContact CG1-CB 3.61Å; V20-F47 HydrophobicContact CG1-CD1 4.38Å; V20-F47 HydrophobicContact CG1-CG 4Å; V20-F47 HydrophobicContact CG2-CD1 4.02Å; V20-F47 HydrophobicContact CG2-CD2 4.37Å; V20-F47 HydrophobicContact CG2-CE1 4.29Å; V20-F47 HydrophobicContact CG2-CG 4.07Å; F47-V113 HydrophobicContact CE1-CG2 3.89Å; F47-V113 HydrophobicContact CZ-CG2 4.4Å
48	T	83.9	Confident	91.9	Very high	140 Å²	140	65.2 Å²	65.2	86%	0.859	33%	0.326	S	S	*	.	S	Bend	trans	-100.3	-10.9	177	56.2	0	0	0	0	113.6
49	R	88.6	Confident	91.8	Very high	211 Å²	211	60.5 Å²	60.5	80%	0.796	31%	0.305	S	S	*	.			trans	-139.4	138.5	179.2	-58.3	-179.6	74	-170.1	3.8	108.5
50	S	92.6	Very high	91.6	Very high	58 Å²	58	56.2 Å²	56.2	41%	0.406	30%	0.296	S	S	.	.			trans	-150.4	169.7	171.2	59.9	0	0	0	0	108.9	Y19	Y19-S50 CarbonylContact O-C 3.55Å; Y19-S50 VanDerWaalsContact O-CA 3.24Å; Y19-S50 WeakPolarHBondContact O-CA 3.3Å
51	K	94.2	Very high	91.7	Very high	96 Å²	96	53.2 Å²	53.2	42%	0.417	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	129.7	177.7	-171.6	176.5	-176.5	180	0	110.1	L18 Y19 V53 Y73	L18-K51 CarbonylContact C-O 3.12Å; L18-K51 WeakPolarHBondContact CA-O 3.29Å; Y19-K51 PolarHBondContact N-O 3.27Å; Y19-K51 PolarHBondContact O-N 3Å; K51-V53 PolarHBondContact O-N 3.39Å; K51-Y73 HydrophobicContact CD-CE2 4.17Å; K51-Y73 VanDerWaalsContact CE-CZ 3.44Å; K51-Y73 VanDerWaalsContact CE-OH 3.28Å; K51-Y73 WeakPolarHBondContact CE-OH 3.46Å; K51-Y73 PolarHBondContact NZ-OH 2.9Å; K51-Y73 VanDerWaalsContact NZ-OH 3.12Å
52	S	95.2	Very high	91.8	Very high	37 Å²	37	52.9 Å²	52.9	26%	0.259	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	130.4	171.7	-164.7	0	0	0	0	110.4	H16 D67	H16-S52 PolarHBondContact NE2-OG 3.04Å; S52-D67 VanDerWaalsContact CB-OD1 3.31Å; S52-D67 WeakPolarHBondContact CB-OD1 3.37Å; S52-D67 VanDerWaalsContact CB-OD2 3.3Å; S52-D67 WeakPolarHBondContact CB-OD2 3.1Å; S52-D67 VanDerWaalsContact OG-CG 3.23Å; S52-D67 PolarHBondContact OG-OD1 3.44Å; S52-D67 PolarHBondContact OG-OD2 2.93Å
53	V	96.8	Very high	92	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	157.5	-178.4	-63.9	0	0	0	0	110.9	S17 K51 V55 I64 C65 D67 Y73 F112	S17-V53 PolarHBondContact N-O 3.2Å; S17-V53 VanDerWaalsContact O-CG2 3.24Å; S17-V53 WeakPolarHBondContact O-CG2 3.43Å; S17-V53 PolarHBondContact O-N 3.26Å; K51-V53 PolarHBondContact O-N 3.39Å; V53-V55 HydrophobicContact CG2-CG2 4.41Å; V53-I64 HydrophobicContact CB-CG2 3.84Å; V53-I64 HydrophobicContact CG1-CG2 3.82Å; V53-I64 HydrophobicContact CG2-CG2 4.04Å; V53-C65 CarbonylContact C-O 3.58Å; V53-C65 WeakPolarHBondContact CA-O 3.48Å; V53-C65 VanDerWaalsContact CB-O 3.28Å; V53-C65 WeakPolarHBondContact CB-O 3.2Å; V53-D67 PolarHBondContact N-OD1 2.99Å; V53-Y73 HydrophobicContact CG1-CD2 3.88Å; V53-Y73 HydrophobicContact CG1-CE2 3.98Å; V53-F112 HydrophobicContact CG2-CD1 4.16Å; V53-F112 HydrophobicContact CG2-CE1 4.3Å
54	I	96.2	Very high	92.2	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.6	165	-61.8	169.4	0	0	0	108.7	Y14 R15 C65 D67 L69 W167	Y14-I54 HydrophobicContact CD1-CG2 3.86Å; Y14-I54 HydrophobicContact CG-CG2 4.34Å; R15-I54 CarbonylContact O-C 3.49Å; R15-I54 WeakPolarHBondContact O-CA 3.26Å; I54-C65 PolarHBondContact N-O 2.85Å; I54-C65 PolarHBondContact O-N 2.92Å; I54-D67 VanDerWaalsContact CD1-O 3.32Å; I54-D67 WeakPolarHBondContact CD1-O 3.15Å; I54-L69 HydrophobicContact CB-CD2 3.89Å; I54-L69 HydrophobicContact CD1-CD2 3.68Å; I54-L69 HydrophobicContact CD1-CG 3.98Å; I54-L69 HydrophobicContact CG1-CD2 4.37Å; I54-L69 HydrophobicContact CG2-CD2 3.98Å; I54-W167 HydrophobicContact CD1-CZ3 4.08Å
55	V	96.4	Very high	92.5	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	117.6	172.7	-173.1	0	0	0	0	108.1	R15 V53 V57 I62 F112 L123	R15-V55 PolarHBondContact N-O 2.56Å; R15-V55 PolarHBondContact O-N 3.36Å; V53-V55 HydrophobicContact CG2-CG2 4.41Å; V55-V57 HydrophobicContact CG1-CG2 4.12Å; V55-I62 HydrophobicContact CG1-CG2 3.65Å; V55-F112 HydrophobicContact CG2-CD1 3.86Å; V55-F112 HydrophobicContact CG2-CE1 4.04Å; V55-F112 HydrophobicContact CG2-CG 4.43Å; V55-L123 HydrophobicContact CB-CD1 4.45Å; V55-L123 HydrophobicContact CG1-CD1 4.07Å; V55-L123 HydrophobicContact CG2-CD2 4.48Å
56	C	95.1	Very high	92.7	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.02	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	100.3	-175.2	-53.6	0	0	0	0	108.7	T12 I13 Y14 I62 K63	T12-C56 HydrophobicContact CG2-CB 3.69Å; I13-C56 CarbonylContact O-C 3.48Å; I13-C56 WeakPolarHBondContact O-CA 3.47Å; Y14-C56 HydrophobicContact CD1-CB 4.25Å; Y14-C56 WeakPolarHBondContact CD1-SG 3.4Å; Y14-C56 HydrophobicContact CE1-CB 4.25Å; C56-I62 CarbonylContact O-C 3.59Å; C56-I62 WeakPolarHBondContact O-CA 3.44Å; C56-K63 HydrophobicContact CB-CB 4.13Å; C56-K63 WeakPolarHBondContact CB-O 3.28Å; C56-K63 PolarHBondContact N-O 3.14Å; C56-K63 PolarHBondContact O-N 3.19Å
57	V	94.6	Very high	93	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.9	-177.6	-173.6	0	0	0	0	110.4	T12 I13 V55 I62 L123 L126 I127 A130 L160	T12-V57 CarbonylContact C-O 3.57Å; T12-V57 WeakPolarHBondContact CA-O 3.13Å; I13-V57 PolarHBondContact N-O 2.99Å; I13-V57 PolarHBondContact O-N 2.89Å; V55-V57 HydrophobicContact CG1-CG2 4.12Å; V57-I62 HydrophobicContact CG1-CG1 4.42Å; V57-I62 HydrophobicContact CG2-CG1 4.44Å; V57-I62 HydrophobicContact CG2-CG2 4.33Å; V57-L123 HydrophobicContact CG2-CD1 3.97Å; V57-L126 HydrophobicContact CB-CD1 4.41Å; V57-L126 HydrophobicContact CB-CD2 3.92Å; V57-L126 HydrophobicContact CB-CG 3.85Å; V57-L126 HydrophobicContact CG1-CD1 4.42Å; V57-L126 HydrophobicContact CG1-CG 3.99Å; V57-L126 HydrophobicContact CG2-CD2 3.89Å; V57-L126 HydrophobicContact CG2-CG 4.06Å; V57-I127 HydrophobicContact CG1-CG1 4.4Å; V57-I127 HydrophobicContact CG2-CG1 4.15Å; V57-A130 HydrophobicContact CG1-CB 3.81Å; V57-L160 HydrophobicContact CG1-CD2 4.47Å
58	S	92.8	Very high	93.2	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.035	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	164.5	174.9	69.4	0	0	0	0	111.1	E11 S60 G61	E11-S58 WeakPolarHBondContact O-CA 3.28Å; E11-S58 VanDerWaalsContact O-CB 3.26Å; E11-S58 WeakPolarHBondContact O-CB 3.28Å; S58-S60 PolarHBondContact O-N 3.42Å; S58-S60 PolarHBondContact OG-N 2.87Å; S58-G61 PolarHBondContact N-O 3.33Å; S58-G61 PolarHBondContact O-N 2.86Å; S58-G61 VanDerWaalsContact O-N 3.09Å; S58-G61 PolarHBondContact OG-N 3.15Å; S58-G61 PolarHBondContact OG-O 3.02Å
59	I	90.1	Very high	93.5	Very high	15 Å²	15	39.1 Å²	39.1	8%	0.077	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-9.9	172.4	58.5	175.7	0	0	0	114.8	M8 F133 R137	M8-I59 HydrophobicContact CB-CD1 3.89Å; M8-I59 HydrophobicContact CE-CD1 3.77Å; I59-F133 HydrophobicContact CG2-CB 4.01Å; I59-R137 VanDerWaalsContact CD1-NH1 3.32Å
60	S	89.5	Confident	93.6	Very high	51 Å²	51	37 Å²	37	36%	0.357	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-22.3	176.6	-72.4	0	0	0	0	113.2	D10 S58 A77 L78	D10-S60 VanDerWaalsContact CG-OG 3.29Å; D10-S60 PolarHBondContact OD1-OG 3.2Å; D10-S60 VanDerWaalsContact OD2-CB 3.31Å; D10-S60 WeakPolarHBondContact OD2-CB 3.43Å; D10-S60 PolarHBondContact OD2-OG 3.16Å; S58-S60 PolarHBondContact O-N 3.42Å; S58-S60 PolarHBondContact OG-N 2.87Å; S60-A77 WeakPolarHBondContact O-CA 3.24Å; S60-L78 PolarHBondContact O-N 2.7Å
61	G	93.1	Very high	93.5	Very high	7 Å²	7	37.4 Å²	37.4	7%	0.072	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.3	175.1	-179.4	0	0	0	0	0	114.3	S58 H76	S58-G61 PolarHBondContact N-O 3.33Å; S58-G61 PolarHBondContact O-N 2.86Å; S58-G61 VanDerWaalsContact O-N 3.09Å; S58-G61 PolarHBondContact OG-N 3.15Å; S58-G61 PolarHBondContact OG-O 3.02Å; G61-H76 CarbonylContact C-O 3.53Å; G61-H76 WeakPolarHBondContact CA-O 3.28Å
62	I	96	Very high	93.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130.9	170.5	-48.4	-178.7	0	0	0	108.6	V55 C56 V57 I64 A75 H76 L78 I81 F95 I127	V55-I62 HydrophobicContact CG1-CG2 3.65Å; C56-I62 CarbonylContact O-C 3.59Å; C56-I62 WeakPolarHBondContact O-CA 3.44Å; V57-I62 HydrophobicContact CG1-CG1 4.42Å; V57-I62 HydrophobicContact CG2-CG1 4.44Å; V57-I62 HydrophobicContact CG2-CG2 4.33Å; I62-I64 HydrophobicContact CG2-CD1 3.83Å; I62-A75 WeakPolarHBondContact O-CA 3.39Å; I62-H76 PolarHBondContact N-O 2.9Å; I62-H76 PolarHBondContact O-N 2.91Å; I62-L78 HydrophobicContact CG1-CD2 4.31Å; I62-I81 HydrophobicContact CB-CD1 4.38Å; I62-I81 HydrophobicContact CD1-CD1 3.58Å; I62-I81 HydrophobicContact CG1-CD1 3.77Å; I62-F95 HydrophobicContact CD1-CD1 3.9Å; I62-F95 HydrophobicContact CD1-CE1 3.96Å; I62-F95 HydrophobicContact CD1-CG 4.28Å; I62-F95 HydrophobicContact CD1-CZ 4.4Å; I62-F95 HydrophobicContact CG2-CE1 4.25Å; I62-I127 HydrophobicContact CD1-CD1 3.81Å; I62-I127 HydrophobicContact CD1-CG1 3.75Å; I62-I127 HydrophobicContact CD1-CG2 4.31Å
63	K	95.7	Very high	93.5	Very high	103 Å²	103	38.8 Å²	38.8	45%	0.448	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141.9	169	-53.9	172.9	-173.9	167.6	0	108.8	C56 V72 A75	C56-K63 HydrophobicContact CB-CB 4.13Å; C56-K63 WeakPolarHBondContact CB-O 3.28Å; C56-K63 PolarHBondContact N-O 3.14Å; C56-K63 PolarHBondContact O-N 3.19Å; K63-V72 HydrophobicContact CB-CG1 4.27Å; K63-A75 HydrophobicContact CG-CB 4.13Å
64	I	96.5	Very high	93.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	116.1	177.7	-69.6	82	0	0	0	107	V53 I62 V72 Y73 M74 F95 F112	V53-I64 HydrophobicContact CB-CG2 3.84Å; V53-I64 HydrophobicContact CG1-CG2 3.82Å; V53-I64 HydrophobicContact CG2-CG2 4.04Å; I62-I64 HydrophobicContact CG2-CD1 3.83Å; I64-V72 CarbonylContact O-C 3.6Å; I64-Y73 HydrophobicContact CG2-CD2 4.5Å; I64-Y73 PolarHBondContact O-N 3Å; I64-M74 HydrophobicContact CB-CE 4.26Å; I64-M74 HydrophobicContact CB-CG 3.95Å; I64-M74 HydrophobicContact CD1-CE 4.04Å; I64-M74 HydrophobicContact CD1-CG 4.08Å; I64-M74 HydrophobicContact CG1-CE 3.96Å; I64-M74 HydrophobicContact CG1-CG 4.32Å; I64-M74 HydrophobicContact CG2-CE 4.37Å; I64-M74 PolarHBondContact N-O 2.92Å; I64-F95 HydrophobicContact CD1-CE1 4.21Å; I64-F95 HydrophobicContact CD1-CZ 3.91Å; I64-F112 HydrophobicContact CD1-CZ 4.14Å; I64-F112 HydrophobicContact CG1-CE1 3.74Å; I64-F112 HydrophobicContact CG1-CZ 3.72Å; I64-F112 HydrophobicContact CG2-CE1 4.2Å
65	C	95.3	Very high	93.2	Very high	8 Å²	8	43.2 Å²	43.2	5%	0.054	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	162.3	-171.4	-62.9	0	0	0	0	111.9	V53 I54 L69 V71	V53-C65 CarbonylContact C-O 3.58Å; V53-C65 WeakPolarHBondContact CA-O 3.48Å; V53-C65 VanDerWaalsContact CB-O 3.28Å; V53-C65 WeakPolarHBondContact CB-O 3.2Å; I54-C65 PolarHBondContact N-O 2.85Å; I54-C65 PolarHBondContact O-N 2.92Å; C65-L69 HydrophobicContact CB-CD2 3.71Å; C65-V71 CarbonylContact C-O 3.51Å; C65-V71 VanDerWaalsContact CA-O 3.29Å; C65-V71 WeakPolarHBondContact CA-O 3.37Å
66	S	93.9	Very high	93.1	Very high	18 Å²	18	43.8 Å²	43.8	13%	0.126	23%	0.234	C	C	.	.			trans	-63.1	158.8	160.4	-167	0	0	0	0	111.1	D68 L69 V71 Y73	S66-D68 VanDerWaalsContact CB-OD1 3.3Å; S66-D68 WeakPolarHBondContact CB-OD1 3.44Å; S66-D68 PolarHBondContact O-N 3.44Å; S66-D68 PolarHBondContact OG-OD1 3.16Å; S66-L69 WeakPolarHBondContact O-CA 3.42Å; S66-L69 PolarHBondContact O-N 3.4Å; S66-V71 PolarHBondContact N-O 2.66Å; S66-Y73 VanDerWaalsContact CB-OH 3.24Å; S66-Y73 WeakPolarHBondContact CB-OH 3.42Å; S66-Y73 PolarHBondContact OG-OH 2.88Å; S66-Y73 VanDerWaalsContact OG-OH 3.12Å
67	D	91.5	Very high	93	Very high	71 Å²	71	45.5 Å²	45.5	38%	0.38	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.8	177	-48.9	-63.9	0	0	0	112.9	H16 S52 V53 I54 L69	H16-D67 IonicContact CD2-OD1 3.88Å; H16-D67 IonicContact NE2-OD1 3.52Å; S52-D67 VanDerWaalsContact CB-OD1 3.31Å; S52-D67 WeakPolarHBondContact CB-OD1 3.37Å; S52-D67 VanDerWaalsContact CB-OD2 3.3Å; S52-D67 WeakPolarHBondContact CB-OD2 3.1Å; S52-D67 VanDerWaalsContact OG-CG 3.23Å; S52-D67 PolarHBondContact OG-OD1 3.44Å; S52-D67 PolarHBondContact OG-OD2 2.93Å; V53-D67 PolarHBondContact N-OD1 2.99Å; I54-D67 VanDerWaalsContact CD1-O 3.32Å; I54-D67 WeakPolarHBondContact CD1-O 3.15Å; D67-L69 VanDerWaalsContact C-N 3.29Å
68	D	90.3	Very high	92.8	Very high	73 Å²	73	45.7 Å²	45.7	39%	0.39	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	1.7	176.4	80	-13.3	0	0	0	114.1	S66 K70	S66-D68 VanDerWaalsContact CB-OD1 3.3Å; S66-D68 WeakPolarHBondContact CB-OD1 3.44Å; S66-D68 PolarHBondContact O-N 3.44Å; S66-D68 PolarHBondContact OG-OD1 3.16Å; D68-K70 HydrophobicContact CB-CG 4.4Å; D68-K70 PolarHBondContact O-N 3.37Å; D68-K70 WeakPolarHBondContact OD1-CB 3.38Å; D68-K70 PolarHBondContact OD1-N 2.8Å; D68-K70 WeakPolarHBondContact OD2-CD 3.46Å; D68-K70 VanDerWaalsContact OD2-CG 3.32Å; D68-K70 WeakPolarHBondContact OD2-CG 3.27Å; D68-K70 IonicContact OD2-NZ 3.94Å; D68-K70 PolarHBondContact OD2-NZ 2.85Å
69	L	89.3	Confident	92.7	Very high	61 Å²	61	54.4 Å²	54.4	32%	0.319	28%	0.282	S	S	.	.	S	Bend	trans	55.7	5.4	-175	-62.1	178	0	0	0	116.4	Y14 I54 C65 S66 D67 P169	Y14-L69 HydrophobicContact CD1-CD1 4.26Å; Y14-L69 HydrophobicContact CD1-CD2 4.18Å; Y14-L69 HydrophobicContact CE1-CD1 4.08Å; Y14-L69 HydrophobicContact CE1-CD2 4.26Å; I54-L69 HydrophobicContact CB-CD2 3.89Å; I54-L69 HydrophobicContact CD1-CD2 3.68Å; I54-L69 HydrophobicContact CD1-CG 3.98Å; I54-L69 HydrophobicContact CG1-CD2 4.37Å; I54-L69 HydrophobicContact CG2-CD2 3.98Å; C65-L69 HydrophobicContact CB-CD2 3.71Å; S66-L69 WeakPolarHBondContact O-CA 3.42Å; S66-L69 PolarHBondContact O-N 3.4Å; D67-L69 VanDerWaalsContact C-N 3.29Å; L69-P169 HydrophobicContact CD1-CG 3.88Å
70	K	90.2	Very high	92.7	Very high	166 Å²	166	56.5 Å²	56.5	72%	0.722	29%	0.288	S	S	*	.	S	Bend	trans	-78.4	-30.8	-177	-58.4	-167.5	-159	90.8	0	113.1	D68	D68-K70 HydrophobicContact CB-CG 4.4Å; D68-K70 PolarHBondContact O-N 3.37Å; D68-K70 WeakPolarHBondContact OD1-CB 3.38Å; D68-K70 PolarHBondContact OD1-N 2.8Å; D68-K70 WeakPolarHBondContact OD2-CD 3.46Å; D68-K70 VanDerWaalsContact OD2-CG 3.32Å; D68-K70 WeakPolarHBondContact OD2-CG 3.27Å; D68-K70 IonicContact OD2-NZ 3.94Å; D68-K70 PolarHBondContact OD2-NZ 2.85Å
71	V	91.5	Very high	92.8	Very high	67 Å²	67	54.2 Å²	54.2	41%	0.406	27%	0.272	S	S	.	.			trans	-113.9	125.7	-178.2	-174.3	0	0	0	0	110.3	C65 S66 Y73	C65-V71 CarbonylContact C-O 3.51Å; C65-V71 VanDerWaalsContact CA-O 3.29Å; C65-V71 WeakPolarHBondContact CA-O 3.37Å; S66-V71 PolarHBondContact N-O 2.66Å; V71-Y73 HydrophobicContact CB-CE1 4.02Å; V71-Y73 HydrophobicContact CG1-CD1 3.78Å; V71-Y73 HydrophobicContact CG1-CE1 3.54Å
72	V	94.1	Very high	92.6	Very high	74 Å²	74	54.4 Å²	54.4	45%	0.448	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119	167.8	-174.8	0	0	0	0	108.1	K63 I64 A75	K63-V72 HydrophobicContact CB-CG1 4.27Å; I64-V72 CarbonylContact O-C 3.6Å; V72-A75 HydrophobicContact CG1-CB 4.39Å
73	Y	93.9	Very high	92.4	Very high	89 Å²	89	56.1 Å²	56.1	35%	0.349	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-37.8	179.6	-59.3	-45.7	0	0	0	112.5	K51 V53 I64 S66 V71	K51-Y73 HydrophobicContact CD-CE2 4.17Å; K51-Y73 VanDerWaalsContact CE-CZ 3.44Å; K51-Y73 VanDerWaalsContact CE-OH 3.28Å; K51-Y73 WeakPolarHBondContact CE-OH 3.46Å; K51-Y73 PolarHBondContact NZ-OH 2.9Å; K51-Y73 VanDerWaalsContact NZ-OH 3.12Å; V53-Y73 HydrophobicContact CG1-CD2 3.88Å; V53-Y73 HydrophobicContact CG1-CE2 3.98Å; I64-Y73 HydrophobicContact CG2-CD2 4.5Å; I64-Y73 PolarHBondContact O-N 3Å; S66-Y73 VanDerWaalsContact CB-OH 3.24Å; S66-Y73 WeakPolarHBondContact CB-OH 3.42Å; S66-Y73 PolarHBondContact OG-OH 2.88Å; S66-Y73 VanDerWaalsContact OG-OH 3.12Å; V71-Y73 HydrophobicContact CB-CE1 4.02Å; V71-Y73 HydrophobicContact CG1-CD1 3.78Å; V71-Y73 HydrophobicContact CG1-CE1 3.54Å
74	M	93.5	Very high	92.2	Very high	39 Å²	39	51.9 Å²	51.9	19%	0.192	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	155.7	174.3	57.1	-172.6	-178	0	0	111.6	Y19 I64 H110 F112	Y19-M74 HydrophobicContact CD2-CE 4.07Å; Y19-M74 HydrophobicContact CE2-CE 3.63Å; I64-M74 HydrophobicContact CB-CE 4.26Å; I64-M74 HydrophobicContact CB-CG 3.95Å; I64-M74 HydrophobicContact CD1-CE 4.04Å; I64-M74 HydrophobicContact CD1-CG 4.08Å; I64-M74 HydrophobicContact CG1-CE 3.96Å; I64-M74 HydrophobicContact CG1-CG 4.32Å; I64-M74 HydrophobicContact CG2-CE 4.37Å; I64-M74 PolarHBondContact N-O 2.92Å; M74-H110 HydrophobicContact CE-CB 4.13Å; M74-F112 HydrophobicContact CE-CE1 4.32Å; M74-F112 HydrophobicContact CE-CZ 3.79Å
75	A	94.2	Very high	92.1	Very high	55 Å²	55	53 Å²	53	46%	0.455	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	133.2	-177.9	0	0	0	0	0	112	I62 K63 V72	I62-A75 WeakPolarHBondContact O-CA 3.39Å; K63-A75 HydrophobicContact CG-CB 4.13Å; V72-A75 HydrophobicContact CG1-CB 4.39Å
76	H	93.9	Very high	92	Very high	14 Å²	14	54 Å²	54	7%	0.065	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	110.5	-171.7	-53.4	-100.8	0	0	0	108.9	G61 I62 I81 F95 A97 H110	G61-H76 CarbonylContact C-O 3.53Å; G61-H76 WeakPolarHBondContact CA-O 3.28Å; I62-H76 PolarHBondContact N-O 2.9Å; I62-H76 PolarHBondContact O-N 2.91Å; H76-I81 HydrophobicContact CB-CD1 4Å; H76-I81 HydrophobicContact CB-CG1 4.03Å; H76-F95 HydrophobicContact CB-CE2 4.35Å; H76-F95 AromaticContact CG-CE2 3.96Å; H76-A97 HydrophobicContact CB-CB 4.5Å; H76-A97 VanDerWaalsContact ND1-CB 3.32Å; H76-A97 WeakPolarHBondContact ND1-CB 3.19Å; H76-H110 AromaticContact CE1-CD2 3.92Å; H76-H110 AromaticContact CE1-CE1 3.57Å; H76-H110 AromaticContact CE1-NE2 3.16Å; H76-H110 PolarHBondContact CE1-NE2 2.91Å; H76-H110 AromaticContact ND1-NE2 3.85Å; H76-H110 AromaticContact NE2-NE2 3.85Å
77	A	93.2	Very high	92	Very high	38 Å²	38	54.5 Å²	54.5	31%	0.314	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	141.1	171.5	0	0	0	0	0	109.9	S60 R79 R80	S60-A77 WeakPolarHBondContact O-CA 3.24Å; A77-R79 PolarHBondContact O-N 2.92Å; A77-R79 VanDerWaalsContact O-N 3.08Å; A77-R80 WeakPolarHBondContact O-CB 3.19Å; A77-R80 PolarHBondContact O-N 3.32Å
78	L	91.1	Very high	92	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.026	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-54	-37.8	-171.4	-68	-177.7	0	0	0	113.2	S60 I62 R80 I81 A130 F131 A134	S60-L78 PolarHBondContact O-N 2.7Å; I62-L78 HydrophobicContact CG1-CD2 4.31Å; L78-R80 PolarHBondContact O-N 2.8Å; L78-I81 HydrophobicContact CD2-CD1 4.32Å; L78-I81 PolarHBondContact O-N 2.93Å; L78-A130 HydrophobicContact CD1-CB 4.06Å; L78-A130 WeakPolarHBondContact CD1-O 3.39Å; L78-F131 HydrophobicContact CB-CD1 4.47Å; L78-F131 HydrophobicContact CB-CE1 4.35Å; L78-A134 HydrophobicContact CD1-CB 3.72Å
79	R	88.9	Confident	92.1	Very high	188 Å²	188	54.6 Å²	54.6	71%	0.709	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-58.5	-18.5	177.3	98.2	176	92.2	111.9	0.5	115.2	A77 Y1093	A77-R79 PolarHBondContact O-N 2.92Å; A77-R79 VanDerWaalsContact O-N 3.08Å; R79-Y1093 VanDerWaalsContact CB-OH 3.23Å; R79-Y1093 WeakPolarHBondContact CB-OH 3.39Å
80	R	90.6	Very high	92.3	Very high	58 Å²	58	55.1 Å²	55.1	22%	0.219	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-91	-14	177.5	-76.6	176.2	52.9	-139.7	-17.9	112.5	A77 L78 A97 R98	A77-R80 WeakPolarHBondContact O-CB 3.19Å; A77-R80 PolarHBondContact O-N 3.32Å; L78-R80 PolarHBondContact O-N 2.8Å; R80-A97 CarbonylContact O-C 3.59Å; R80-A97 WeakPolarHBondContact O-CA 3.45Å; R80-R98 VanDerWaalsContact CZ-O 3.26Å; R80-R98 PolarHBondContact NE-O 3.45Å; R80-R98 PolarHBondContact NH2-O 3.44Å; R80-R98 PolarHBondContact O-N 3.16Å
81	I	92.5	Very high	92.5	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.015	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.5	179.9	-54.5	178.1	0	0	0	108.1	I62 H76 L78 F95 L96 A97 F131	I62-I81 HydrophobicContact CB-CD1 4.38Å; I62-I81 HydrophobicContact CD1-CD1 3.58Å; I62-I81 HydrophobicContact CG1-CD1 3.77Å; H76-I81 HydrophobicContact CB-CD1 4Å; H76-I81 HydrophobicContact CB-CG1 4.03Å; L78-I81 HydrophobicContact CD2-CD1 4.32Å; L78-I81 PolarHBondContact O-N 2.93Å; I81-F95 HydrophobicContact CD1-CD2 3.94Å; I81-F95 HydrophobicContact CD1-CE2 4.11Å; I81-F95 HydrophobicContact CG1-CD2 4.13Å; I81-F95 HydrophobicContact CG1-CE2 4.41Å; I81-F95 HydrophobicContact CG2-CB 3.94Å; I81-F95 HydrophobicContact CG2-CD2 3.97Å; I81-F95 HydrophobicContact CG2-CG 4.3Å; I81-L96 CarbonylContact C-O 3.54Å; I81-L96 VanDerWaalsContact CA-O 3.23Å; I81-L96 WeakPolarHBondContact CA-O 3.29Å; I81-L96 WeakPolarHBondContact CG2-O 3.31Å; I81-A97 HydrophobicContact CG1-CB 4.33Å; I81-F131 HydrophobicContact CB-CE1 4.4Å; I81-F131 HydrophobicContact CB-CZ 3.71Å; I81-F131 HydrophobicContact CG2-CE2 4.22Å; I81-F131 HydrophobicContact CG2-CZ 3.68Å
82	S	88.6	Confident	92.7	Very high	12 Å²	12	48 Å²	48	8%	0.084	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-2.1	-166.5	58.4	0	0	0	0	114.5	R33 L96 Q107	R33-S82 PolarHBondContact NH2-O 2.9Å; S82-L96 PolarHBondContact N-O 3.13Å; S82-L96 WeakPolarHBondContact OG-CD2 3.46Å; S82-L96 PolarHBondContact OG-O 3.44Å; S82-Q107 PolarHBondContact OG-OE1 2.91Å
83	Y	90.6	Very high	92.8	Very high	35 Å²	35	44.5 Å²	44.5	14%	0.137	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	149.7	174.5	-179.1	-120.4	0	0	0	109.2	V37 T85 F95 L96 F1099	V37-Y83 HydrophobicContact CB-CE1 4.36Å; V37-Y83 HydrophobicContact CG1-CE1 4.08Å; Y83-T85 HydrophobicContact CE1-CG2 3.73Å; Y83-F95 WeakPolarHBondContact O-CA 3.38Å; Y83-L96 PolarHBondContact O-N 2.77Å; Y83-F1099 HydrophobicContact CE2-CE1 4.47Å
84	A	93.4	Very high	92.9	Very high	14 Å²	14	40.3 Å²	40.3	12%	0.116	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	145.9	170.7	0	0	0	0	0	109.1	A94 F95 I127	A84-A94 CarbonylContact C-O 3.57Å; A84-A94 WeakPolarHBondContact CA-O 3.38Å; A84-F95 HydrophobicContact CB-CB 4.31Å; A84-I127 HydrophobicContact CB-CG2 3.89Å
85	T	93.3	Very high	93	Very high	25 Å²	25	38.6 Å²	38.6	15%	0.153	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	162.5	-176.8	-168.4	0	0	0	0	111.5	V37 L41 Y83 A94	V37-T85 HydrophobicContact CG1-CG2 3.99Å; L41-T85 HydrophobicContact CD1-CG2 3.9Å; Y83-T85 HydrophobicContact CE1-CG2 3.73Å; T85-A94 HydrophobicContact CG2-CB 4.42Å; T85-A94 PolarHBondContact N-O 2.86Å; T85-A94 PolarHBondContact O-N 3.45Å
86	C	93.5	Very high	93	Very high	28 Å²	28	36 Å²	36	19%	0.189	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	140.4	173.8	57.6	0	0	0	0	111.8	Q92 V93 N124	C86-Q92 CarbonylContact C-O 3.54Å; C86-Q92 WeakPolarHBondContact CA-O 3.41Å; C86-Q92 WeakPolarHBondContact CB-O 3.22Å; C86-V93 HydrophobicContact CB-CG2 4.14Å; C86-N124 HydrophobicContact CB-CB 3.96Å; C86-N124 PolarHBondContact SG-ND2 3.49Å
87	D	94.1	Very high	93	Very high	29 Å²	29	35.3 Å²	35.3	16%	0.155	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	94.1	163.7	176.7	-22.2	0	0	0	106.7	R45 V89 H90 K91 Q92	R45-D87 IonicContact CZ-OD2 2.77Å; R45-D87 IonicContact NE-OD2 2.84Å; R45-D87 PolarHBondContact NE-OD2 3.31Å; R45-D87 IonicContact NH2-OD2 2.74Å; R45-D87 PolarHBondContact NH2-OD2 3.29Å; D87-V89 VanDerWaalsContact C-N 3.28Å; D87-V89 PolarHBondContact O-N 2.9Å; D87-V89 WeakPolarHBondContact OD1-CB 3.42Å; D87-V89 PolarHBondContact OD1-N 2.83Å; D87-H90 CarbonylContact O-C 3.49Å; D87-H90 PolarHBondContact O-N 3.01Å; D87-H90 IonicContact OD1-CE1 3.78Å; D87-H90 IonicContact OD1-CG 3.65Å; D87-H90 PolarHBondContact OD1-N 2.89Å; D87-H90 IonicContact OD1-ND1 3.62Å; D87-H90 PolarHBondContact OD1-ND1 2.86Å; D87-H90 IonicContact OD2-CE1 3.65Å; D87-H90 IonicContact OD2-CG 3.96Å; D87-H90 IonicContact OD2-ND1 2.65Å; D87-H90 PolarHBondContact OD2-ND1 2.98Å; D87-K91 PolarHBondContact O-N 3.19Å; D87-Q92 HydrophobicContact CB-CB 4.28Å; D87-Q92 PolarHBondContact N-O 2.89Å; D87-Q92 PolarHBondContact O-N 3.37Å
88	A	91.5	Very high	92.8	Very high	21 Å²	21	38.2 Å²	38.2	17%	0.174	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-36.8	-176.5	0	0	0	0	0	112	H90 K91 P117 E121	A88-H90 PolarHBondContact O-N 3.12Å; A88-K91 PolarHBondContact O-N 2.93Å; A88-P117 HydrophobicContact CB-CB 4.36Å; A88-P117 VanDerWaalsContact O-CB 3.25Å; A88-P117 WeakPolarHBondContact O-CB 3.44Å; A88-E121 HydrophobicContact CB-CG 3.89Å; A88-E121 WeakPolarHBondContact CB-OE1 3.21Å
89	V	92.4	Very high	92.4	Very high	125 Å²	125	41.3 Å²	41.3	76%	0.758	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-38.6	179.3	-177.4	0	0	0	0	111	D87	D87-V89 VanDerWaalsContact C-N 3.28Å; D87-V89 PolarHBondContact O-N 2.9Å; D87-V89 WeakPolarHBondContact OD1-CB 3.42Å; D87-V89 PolarHBondContact OD1-N 2.83Å
90	H	92.8	Very high	91.8	Very high	73 Å²	73	37 Å²	37	34%	0.338	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	8.7	178.2	-56.5	84.8	0	0	0	113.1	R45 D87 A88 Q92	R45-H90 VanDerWaalsContact CD-CD2 3.44Å; R45-H90 WeakPolarHBondContact CD-CD2 3.26Å; R45-H90 WeakPolarHBondContact CD-NE2 3.5Å; R45-H90 HydrophobicContact CG-CB 4.2Å; R45-H90 PolarHBondContact NE-CE1 2.78Å; R45-H90 PolarHBondContact NE-ND1 3.34Å; R45-H90 VanDerWaalsContact NE-ND1 3.15Å; R45-H90 PolarHBondContact NE-NE2 3.39Å; D87-H90 CarbonylContact O-C 3.49Å; D87-H90 PolarHBondContact O-N 3.01Å; D87-H90 IonicContact OD1-CE1 3.78Å; D87-H90 IonicContact OD1-CG 3.65Å; D87-H90 PolarHBondContact OD1-N 2.89Å; D87-H90 IonicContact OD1-ND1 3.62Å; D87-H90 PolarHBondContact OD1-ND1 2.86Å; D87-H90 IonicContact OD2-CE1 3.65Å; D87-H90 IonicContact OD2-CG 3.96Å; D87-H90 IonicContact OD2-ND1 2.65Å; D87-H90 PolarHBondContact OD2-ND1 2.98Å; A88-H90 PolarHBondContact O-N 3.12Å; H90-Q92 HydrophobicContact CB-CG 4.2Å; H90-Q92 PolarHBondContact O-N 3.49Å; H90-Q92 VanDerWaalsContact O-N 3.11Å
91	K	95.1	Very high	90.8	Very high	81 Å²	81	38.3 Å²	38.3	35%	0.352	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	19.5	-177.9	-44.2	179.8	-176.6	178.9	0	114	D87 A88 V113 T114 E115	D87-K91 PolarHBondContact O-N 3.19Å; A88-K91 PolarHBondContact O-N 2.93Å; K91-V113 HydrophobicContact CB-CG1 4.42Å; K91-V113 WeakPolarHBondContact O-CA 3.47Å; K91-T114 WeakPolarHBondContact CB-O 3.47Å; K91-T114 VanDerWaalsContact CD-O 3.29Å; K91-T114 WeakPolarHBondContact CD-O 3.46Å; K91-T114 PolarHBondContact O-N 2.83Å; K91-T114 PolarHBondContact O-OG1 2.88Å; K91-E115 WeakPolarHBondContact CD-O 3.07Å; K91-E115 WeakPolarHBondContact CE-O 3.28Å; K91-E115 PolarHBondContact NZ-O 2.78Å
92	Q	95.1	Very high	89.2	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	139.7	-174.8	-75.4	173.7	-17.3	0	0	110.7	L41 L44 C86 D87 H90 F112 V113	L41-Q92 HydrophobicContact CD2-CB 4.28Å; L41-Q92 PolarHBondContact O-NE2 2.94Å; L41-Q92 PolarHBondContact O-OE1 3.29Å; L44-Q92 PolarHBondContact O-NE2 3.12Å; C86-Q92 CarbonylContact C-O 3.54Å; C86-Q92 WeakPolarHBondContact CA-O 3.41Å; C86-Q92 WeakPolarHBondContact CB-O 3.22Å; D87-Q92 HydrophobicContact CB-CB 4.28Å; D87-Q92 PolarHBondContact N-O 2.89Å; D87-Q92 PolarHBondContact O-N 3.37Å; H90-Q92 HydrophobicContact CB-CG 4.2Å; H90-Q92 PolarHBondContact O-N 3.49Å; H90-Q92 VanDerWaalsContact O-N 3.11Å; Q92-F112 CarbonylContact C-O 3.55Å; Q92-F112 VanDerWaalsContact CA-O 3.27Å; Q92-F112 WeakPolarHBondContact CA-O 3.38Å; Q92-V113 HydrophobicContact CG-CG2 3.79Å
93	V	96.2	Very high	87.7	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.9	167.8	-173.8	0	0	0	0	108	C86 F112 T114 A120 L123 N124 I127	C86-V93 HydrophobicContact CB-CG2 4.14Å; V93-F112 PolarHBondContact N-O 3.5Å; V93-F112 PolarHBondContact O-N 2.89Å; V93-T114 HydrophobicContact CG2-CG2 4.31Å; V93-A120 HydrophobicContact CG2-CB 3.61Å; V93-A120 VanDerWaalsContact CG2-O 3.28Å; V93-A120 WeakPolarHBondContact CG2-O 3.3Å; V93-L123 HydrophobicContact CB-CD2 4.26Å; V93-L123 HydrophobicContact CG1-CD2 4.31Å; V93-L123 HydrophobicContact CG1-CG 4.26Å; V93-L123 HydrophobicContact CG2-CB 4.31Å; V93-L123 HydrophobicContact CG2-CD2 4.23Å; V93-N124 HydrophobicContact CG1-CB 4.43Å; V93-I127 HydrophobicContact CG1-CD1 4.49Å
94	A	96.1	Very high	86.2	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.008	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.3	175.5	0	0	0	0	0	112.6	L41 A84 T85 H110 V111	L41-A94 HydrophobicContact CD1-CB 4.44Å; L41-A94 HydrophobicContact CD2-CB 3.99Å; A84-A94 CarbonylContact C-O 3.57Å; A84-A94 WeakPolarHBondContact CA-O 3.38Å; T85-A94 HydrophobicContact CG2-CB 4.42Å; T85-A94 PolarHBondContact N-O 2.86Å; T85-A94 PolarHBondContact O-N 3.45Å; A94-H110 WeakPolarHBondContact CA-O 3.44Å; A94-H110 WeakPolarHBondContact CB-O 3.2Å; A94-V111 HydrophobicContact CB-CG2 4.07Å
95	F	95.7	Very high	85.1	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.009	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.2	171.1	69.7	-100.2	0	0	0	110.8	I62 I64 H76 I81 Y83 A84 A97 C109 H110 F112 I127	I62-F95 HydrophobicContact CD1-CD1 3.9Å; I62-F95 HydrophobicContact CD1-CE1 3.96Å; I62-F95 HydrophobicContact CD1-CG 4.28Å; I62-F95 HydrophobicContact CD1-CZ 4.4Å; I62-F95 HydrophobicContact CG2-CE1 4.25Å; I64-F95 HydrophobicContact CD1-CE1 4.21Å; I64-F95 HydrophobicContact CD1-CZ 3.91Å; H76-F95 HydrophobicContact CB-CE2 4.35Å; H76-F95 AromaticContact CG-CE2 3.96Å; I81-F95 HydrophobicContact CD1-CD2 3.94Å; I81-F95 HydrophobicContact CD1-CE2 4.11Å; I81-F95 HydrophobicContact CG1-CD2 4.13Å; I81-F95 HydrophobicContact CG1-CE2 4.41Å; I81-F95 HydrophobicContact CG2-CB 3.94Å; I81-F95 HydrophobicContact CG2-CD2 3.97Å; I81-F95 HydrophobicContact CG2-CG 4.3Å; Y83-F95 WeakPolarHBondContact O-CA 3.38Å; A84-F95 HydrophobicContact CB-CB 4.31Å; F95-A97 HydrophobicContact CD2-CB 4.33Å; F95-A97 HydrophobicContact CE2-CB 4.19Å; F95-C109 WeakPolarHBondContact O-CA 3.38Å; F95-H110 HydrophobicContact CE1-CB 4.33Å; F95-H110 HydrophobicContact CE2-CB 4.24Å; F95-H110 AromaticContact CE2-CD2 3.47Å; F95-H110 VanDerWaalsContact CE2-CD2 3.47Å; F95-H110 WeakPolarHBondContact CE2-CD2 3.46Å; F95-H110 HydrophobicContact CZ-CB 4.07Å; F95-H110 PolarHBondContact N-O 2.8Å; F95-H110 PolarHBondContact O-N 3.21Å; F95-F112 AromaticContact CD1-CE2 3.9Å; F95-F112 HydrophobicContact CD1-CE2 3.9Å; F95-F112 HydrophobicContact CE1-CD2 4.46Å; F95-F112 AromaticContact CE1-CE2 3.44Å; F95-F112 HydrophobicContact CE1-CE2 3.44Å; F95-F112 VanDerWaalsContact CE1-CE2 3.44Å; F95-F112 AromaticContact CE1-CZ 3.85Å; F95-F112 HydrophobicContact CE1-CZ 3.85Å; F95-F112 HydrophobicContact CZ-CE2 4.25Å; F95-F112 HydrophobicContact CZ-CZ 4.39Å; F95-I127 HydrophobicContact CD1-CD1 4.47Å
96	L	93.9	Very high	84.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123	-177.2	-172.6	69.1	0	0	0	109.8	V25 R33 I81 S82 Y83 Q107 C109	V25-L96 HydrophobicContact CB-CD1 3.78Å; V25-L96 HydrophobicContact CG1-CD1 4.27Å; V25-L96 HydrophobicContact CG1-CD2 4.4Å; V25-L96 HydrophobicContact CG2-CD1 3.73Å; R33-L96 VanDerWaalsContact CD-CD2 3.43Å; R33-L96 HydrophobicContact CG-CD2 4.03Å; I81-L96 CarbonylContact C-O 3.54Å; I81-L96 VanDerWaalsContact CA-O 3.23Å; I81-L96 WeakPolarHBondContact CA-O 3.29Å; I81-L96 WeakPolarHBondContact CG2-O 3.31Å; S82-L96 PolarHBondContact N-O 3.13Å; S82-L96 WeakPolarHBondContact OG-CD2 3.46Å; S82-L96 PolarHBondContact OG-O 3.44Å; Y83-L96 PolarHBondContact O-N 2.77Å; L96-Q107 HydrophobicContact CD1-CB 3.76Å; L96-Q107 HydrophobicContact CD2-CB 4.19Å; L96-Q107 HydrophobicContact CG-CB 3.84Å; L96-Q107 HydrophobicContact CG-CG 4.43Å; L96-C109 HydrophobicContact CD1-CB 3.81Å
97	A	93.5	Very high	84.3	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.8	-178.1	0	0	0	0	0	113	H76 R80 I81 F95 Q107 Y108	H76-A97 HydrophobicContact CB-CB 4.5Å; H76-A97 VanDerWaalsContact ND1-CB 3.32Å; H76-A97 WeakPolarHBondContact ND1-CB 3.19Å; R80-A97 CarbonylContact O-C 3.59Å; R80-A97 WeakPolarHBondContact O-CA 3.45Å; I81-A97 HydrophobicContact CG1-CB 4.33Å; F95-A97 HydrophobicContact CD2-CB 4.33Å; F95-A97 HydrophobicContact CE2-CB 4.19Å; A97-Q107 WeakPolarHBondContact O-CA 3.4Å; A97-Y108 PolarHBondContact N-O 3.24Å; A97-Y108 PolarHBondContact O-N 3.22Å
98	R	89.5	Confident	84.2	Confident	98 Å²	98	55.9 Å²	55.9	37%	0.37	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	132.6	169.9	-67.6	176.6	-179.6	165.1	3.9	110	R80 Q107 D1092	R80-R98 VanDerWaalsContact CZ-O 3.26Å; R80-R98 PolarHBondContact NE-O 3.45Å; R80-R98 PolarHBondContact NH2-O 3.44Å; R80-R98 PolarHBondContact O-N 3.16Å; R98-Q107 HydrophobicContact CB-CG 4.17Å; R98-Q107 HydrophobicContact CG-CG 3.44Å; R98-Q107 VanDerWaalsContact CG-CG 3.44Å; R98-D1092 IonicContact NH2-OD2 2.76Å
99	E	83.3	Confident	84.4	Confident	71 Å²	71	54.9 Å²	54.9	33%	0.332	30%	0.295	S	S	.	.			trans	-66.4	144.4	171.6	-169.5	-176	156	0	0	110.3	T101 L106	E99-T101 VanDerWaalsContact C-N 3.32Å; E99-T101 WeakPolarHBondContact CG-OG1 3.26Å; E99-T101 WeakPolarHBondContact OE1-CB 3.16Å; E99-T101 PolarHBondContact OE1-OG1 2.85Å; E99-L106 PolarHBondContact N-O 2.88Å
100	P	75	Confident	84.5	Confident	96 Å²	96	49.7 Å²	49.7	62%	0.623	26%	0.262	S	S	*	.	S	Bend	trans	-84.3	-9.2	179	35.8	-33.3	0	0	0	113.2
101	T	70	Confident	84.7	Confident	86 Å²	86	46.2 Å²	46.2	53%	0.528	25%	0.246	S	C	.	.	S	Bend	trans	-121.6	-4	-168.7	30.1	0	0	0	0	114	E99	E99-T101 VanDerWaalsContact C-N 3.32Å; E99-T101 WeakPolarHBondContact CG-OG1 3.26Å; E99-T101 WeakPolarHBondContact OE1-CB 3.16Å; E99-T101 PolarHBondContact OE1-OG1 2.85Å
102	G	60.2	Low	84.8	Confident	31 Å²	31	42.4 Å²	42.4	32%	0.32	23%	0.23	S	C	.	.			trans	-78.1	138	-177.3	0	0	0	0	0	113.7	G104	G102-G104 PolarHBondContact O-N 3.23Å
103	F	55.8	Low	84.8	Confident	202 Å²	202	43.1 Å²	43.1	89%	0.886	23%	0.234	S	C	*	.	S	Bend	trans	-81.9	83.5	167.1	-75.7	-89.3	0	0	0	109.9
104	G	60.7	Low	84.8	Confident	54 Å²	54	43.5 Å²	43.5	56%	0.557	24%	0.237	S	C	*	.	S	Bend	trans	136.6	-176.1	177.4	0	0	0	0	0	113	G102 L106	G102-G104 PolarHBondContact O-N 3.23Å; G104-L106 PolarHBondContact O-N 2.76Å
105	N	68.3	Low	84.6	Confident	96 Å²	96	50.4 Å²	50.4	51%	0.513	27%	0.269	S	S	.	.	S	Bend	trans	-78.5	25.9	-177.3	-65.6	-18.8	0	0	0	113.7	Q28 Q107	Q28-N105 PolarHBondContact OE1-ND2 3.44Å; N105-Q107 WeakPolarHBondContact O-CG 3.47Å; N105-Q107 PolarHBondContact O-N 3.38Å; N105-Q107 PolarHBondContact O-NE2 3.45Å
106	L	82.6	Confident	84.5	Confident	44 Å²	44	52 Å²	52	23%	0.23	28%	0.28	C	S	.	.			trans	-61.2	124.4	-175.5	-179	61	0	0	0	110.9	P24 D26 E99 G104 Y108	P24-L106 HydrophobicContact CB-CD1 4.1Å; D26-L106 WeakPolarHBondContact OD1-CD1 3.41Å; E99-L106 PolarHBondContact N-O 2.88Å; G104-L106 PolarHBondContact O-N 2.76Å; L106-Y108 HydrophobicContact CD2-CE2 3.96Å; L106-Y108 HydrophobicContact CG-CE2 4.05Å
107	Q	88.6	Confident	84.6	Confident	5 Å²	5	54.7 Å²	54.7	2%	0.023	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.6	-178.7	-74.3	155.1	104.2	0	0	109.9	P24 V25 S82 L96 A97 R98 N105	P24-Q107 CarbonylContact C-O 3.5Å; V25-Q107 PolarHBondContact N-O 3.42Å; V25-Q107 PolarHBondContact O-N 2.72Å; S82-Q107 PolarHBondContact OG-OE1 2.91Å; L96-Q107 HydrophobicContact CD1-CB 3.76Å; L96-Q107 HydrophobicContact CD2-CB 4.19Å; L96-Q107 HydrophobicContact CG-CB 3.84Å; L96-Q107 HydrophobicContact CG-CG 4.43Å; A97-Q107 WeakPolarHBondContact O-CA 3.4Å; R98-Q107 HydrophobicContact CB-CG 4.17Å; R98-Q107 HydrophobicContact CG-CG 3.44Å; R98-Q107 VanDerWaalsContact CG-CG 3.44Å; N105-Q107 WeakPolarHBondContact O-CG 3.47Å; N105-Q107 PolarHBondContact O-N 3.38Å; N105-Q107 PolarHBondContact O-NE2 3.45Å
108	Y	92.8	Very high	84.6	Confident	84 Å²	84	58.4 Å²	58.4	33%	0.329	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129	173.8	-74.7	-80.5	0	0	0	109.7	F23 P24 A97 L106 H110	F23-Y108 WeakPolarHBondContact O-CA 3.47Å; P24-Y108 HydrophobicContact CB-CD1 4.4Å; P24-Y108 HydrophobicContact CB-CE1 4Å; A97-Y108 PolarHBondContact N-O 3.24Å; A97-Y108 PolarHBondContact O-N 3.22Å; L106-Y108 HydrophobicContact CD2-CE2 3.96Å; L106-Y108 HydrophobicContact CG-CE2 4.05Å; Y108-H110 PolarHBondContact O-CD2 2.89Å; Y108-H110 PolarHBondContact O-NE2 3.3Å
109	C	94.5	Very high	84.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.3	170.5	-162.3	0	0	0	0	108.2	S22 F23 V25 F95 L96	S22-C109 WeakPolarHBondContact CA-O 3.5Å; S22-C109 VanDerWaalsContact CB-O 3.31Å; S22-C109 WeakPolarHBondContact CB-O 3.44Å; S22-C109 PolarHBondContact OG-O 3.39Å; F23-C109 HydrophobicContact CD1-CB 4.18Å; F23-C109 HydrophobicContact CD2-CB 3.92Å; F23-C109 HydrophobicContact CE1-CB 3.74Å; F23-C109 HydrophobicContact CE2-CB 3.44Å; F23-C109 VanDerWaalsContact CE2-CB 3.44Å; F23-C109 HydrophobicContact CG-CB 4.27Å; F23-C109 HydrophobicContact CZ-CB 3.35Å; F23-C109 VanDerWaalsContact CZ-SG 3.57Å; F23-C109 PolarHBondContact N-O 2.91Å; F23-C109 VanDerWaalsContact N-O 3.16Å; F23-C109 PolarHBondContact O-N 3.39Å; V25-C109 HydrophobicContact CG2-CB 4.04Å; F95-C109 WeakPolarHBondContact O-CA 3.38Å; L96-C109 HydrophobicContact CD1-CB 3.81Å
110	H	95.7	Very high	85.3	Confident	15 Å²	15	53 Å²	53	7%	0.069	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121	-178.5	-56.3	-82.7	0	0	0	109.1	S22 M74 H76 A94 F95 Y108 F112	S22-H110 PolarHBondContact OG-ND1 3.02Å; M74-H110 HydrophobicContact CE-CB 4.13Å; H76-H110 AromaticContact CE1-CD2 3.92Å; H76-H110 AromaticContact CE1-CE1 3.57Å; H76-H110 AromaticContact CE1-NE2 3.16Å; H76-H110 PolarHBondContact CE1-NE2 2.91Å; H76-H110 AromaticContact ND1-NE2 3.85Å; H76-H110 AromaticContact NE2-NE2 3.85Å; A94-H110 WeakPolarHBondContact CA-O 3.44Å; A94-H110 WeakPolarHBondContact CB-O 3.2Å; F95-H110 HydrophobicContact CE1-CB 4.33Å; F95-H110 HydrophobicContact CE2-CB 4.24Å; F95-H110 AromaticContact CE2-CD2 3.47Å; F95-H110 VanDerWaalsContact CE2-CD2 3.47Å; F95-H110 WeakPolarHBondContact CE2-CD2 3.46Å; F95-H110 HydrophobicContact CZ-CB 4.07Å; F95-H110 PolarHBondContact N-O 2.8Å; F95-H110 PolarHBondContact O-N 3.21Å; Y108-H110 PolarHBondContact O-CD2 2.89Å; Y108-H110 PolarHBondContact O-NE2 3.3Å; H110-F112 HydrophobicContact CB-CE2 3.73Å; H110-F112 HydrophobicContact CB-CZ 4.05Å; H110-F112 WeakPolarHBondContact O-CE2 3.31Å
111	V	96.4	Very high	86.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.2	-172.7	-175.4	0	0	0	0	111.5	Y19 V20 G21 F23 L41 L44 A94	Y19-V111 WeakPolarHBondContact CD2-O 3.47Å; V20-V111 HydrophobicContact CB-CB 4.45Å; V20-V111 HydrophobicContact CB-CG1 4.32Å; V20-V111 PolarHBondContact N-O 3.25Å; G21-V111 PolarHBondContact O-N 2.9Å; F23-V111 HydrophobicContact CD1-CG2 4.27Å; F23-V111 HydrophobicContact CE1-CG2 3.67Å; L41-V111 HydrophobicContact CD2-CB 4.47Å; L41-V111 HydrophobicContact CD2-CG1 3.7Å; L41-V111 HydrophobicContact CD2-CG2 3.91Å; L44-V111 HydrophobicContact CD1-CB 4.39Å; L44-V111 HydrophobicContact CD1-CG2 3.86Å; A94-V111 HydrophobicContact CB-CG2 4.07Å
112	F	96.8	Very high	87.3	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.009	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.2	179.6	-53.2	-92.3	0	0	0	109.5	L18 Y19 V53 V55 I64 M74 Q92 V93 F95 H110	L18-F112 CarbonylContact O-C 3.6Å; L18-F112 WeakPolarHBondContact O-CA 3.29Å; Y19-F112 AromaticContact CD2-CD1 4Å; Y19-F112 HydrophobicContact CD2-CD1 4Å; Y19-F112 AromaticContact CD2-CE1 3.58Å; Y19-F112 HydrophobicContact CD2-CE1 3.58Å; Y19-F112 AromaticContact CD2-CZ 3.95Å; Y19-F112 HydrophobicContact CD2-CZ 3.95Å; Y19-F112 HydrophobicContact CE2-CE1 4.48Å; Y19-F112 HydrophobicContact CE2-CZ 4.44Å; Y19-F112 HydrophobicContact CG-CE1 4.23Å; V53-F112 HydrophobicContact CG2-CD1 4.16Å; V53-F112 HydrophobicContact CG2-CE1 4.3Å; V55-F112 HydrophobicContact CG2-CD1 3.86Å; V55-F112 HydrophobicContact CG2-CE1 4.04Å; V55-F112 HydrophobicContact CG2-CG 4.43Å; I64-F112 HydrophobicContact CD1-CZ 4.14Å; I64-F112 HydrophobicContact CG1-CE1 3.74Å; I64-F112 HydrophobicContact CG1-CZ 3.72Å; I64-F112 HydrophobicContact CG2-CE1 4.2Å; M74-F112 HydrophobicContact CE-CE1 4.32Å; M74-F112 HydrophobicContact CE-CZ 3.79Å; Q92-F112 CarbonylContact C-O 3.55Å; Q92-F112 VanDerWaalsContact CA-O 3.27Å; Q92-F112 WeakPolarHBondContact CA-O 3.38Å; V93-F112 PolarHBondContact N-O 3.5Å; V93-F112 PolarHBondContact O-N 2.89Å; F95-F112 AromaticContact CD1-CE2 3.9Å; F95-F112 HydrophobicContact CD1-CE2 3.9Å; F95-F112 HydrophobicContact CE1-CD2 4.46Å; F95-F112 AromaticContact CE1-CE2 3.44Å; F95-F112 HydrophobicContact CE1-CE2 3.44Å; F95-F112 VanDerWaalsContact CE1-CE2 3.44Å; F95-F112 AromaticContact CE1-CZ 3.85Å; F95-F112 HydrophobicContact CE1-CZ 3.85Å; F95-F112 HydrophobicContact CZ-CE2 4.25Å; F95-F112 HydrophobicContact CZ-CZ 4.39Å; H110-F112 HydrophobicContact CB-CE2 3.73Å; H110-F112 HydrophobicContact CB-CZ 4.05Å; H110-F112 WeakPolarHBondContact O-CE2 3.31Å
113	V	96.1	Very high	89	Confident	16 Å²	16	48.4 Å²	48.4	10%	0.097	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.8	171.8	169.2	0	0	0	0	108.2	S17 L18 V20 F47 K91 Q92	S17-V113 WeakPolarHBondContact CA-O 3.43Å; L18-V113 HydrophobicContact CB-CB 4.41Å; L18-V113 PolarHBondContact N-O 3.01Å; L18-V113 PolarHBondContact O-N 3.45Å; V20-V113 HydrophobicContact CG2-CB 4.32Å; V20-V113 HydrophobicContact CG2-CG2 3.64Å; F47-V113 HydrophobicContact CE1-CG2 3.89Å; F47-V113 HydrophobicContact CZ-CG2 4.4Å; K91-V113 HydrophobicContact CB-CG1 4.42Å; K91-V113 WeakPolarHBondContact O-CA 3.47Å; Q92-V113 HydrophobicContact CG-CG2 3.79Å
114	T	95.4	Very high	90.8	Very high	9 Å²	9	40.3 Å²	40.3	6%	0.055	23%	0.225	C	C	.	.			trans	-108	169.3	-176.4	56.4	0	0	0	0	111.8	K91 V93 S116 D119 A120 L123	K91-T114 WeakPolarHBondContact CB-O 3.47Å; K91-T114 VanDerWaalsContact CD-O 3.29Å; K91-T114 WeakPolarHBondContact CD-O 3.46Å; K91-T114 PolarHBondContact O-N 2.83Å; K91-T114 PolarHBondContact O-OG1 2.88Å; V93-T114 HydrophobicContact CG2-CG2 4.31Å; T114-S116 PolarHBondContact OG1-O 2.89Å; T114-S116 VanDerWaalsContact OG1-O 3.11Å; T114-D119 HydrophobicContact CG2-CB 4.28Å; T114-A120 WeakPolarHBondContact OG1-CB 3.21Å; T114-A120 PolarHBondContact OG1-N 3.28Å; T114-L123 HydrophobicContact CG2-CD2 4.28Å
115	E	92.5	Very high	92.4	Very high	146 Å²	146	42.7 Å²	42.7	68%	0.682	22%	0.218	S	C	*	.	S	Bend	trans	-70.5	-37	-176.6	-63.5	-166.4	166	0	0	113.1	H16 K91	H16-E115 IonicContact ND1-OE1 2.76Å; K91-E115 WeakPolarHBondContact CD-O 3.07Å; K91-E115 WeakPolarHBondContact CE-O 3.28Å; K91-E115 PolarHBondContact NZ-O 2.78Å
116	S	93.7	Very high	93.6	Very high	36 Å²	36	38.1 Å²	38.1	25%	0.252	19%	0.193	S	C	.	.	S	Bend	trans	-131.7	159.3	177.4	85.3	0	0	0	0	112.6	T114 C118 D119 A120	T114-S116 PolarHBondContact OG1-O 2.89Å; T114-S116 VanDerWaalsContact OG1-O 3.11Å; S116-C118 PolarHBondContact O-N 2.84Å; S116-C118 PolarHBondContact OG-N 3.36Å; S116-D119 WeakPolarHBondContact CA-OD2 3.26Å; S116-D119 WeakPolarHBondContact CB-OD2 3.38Å; S116-D119 PolarHBondContact N-OD2 2.89Å; S116-D119 PolarHBondContact O-N 2.9Å; S116-D119 PolarHBondContact OG-N 3.25Å; S116-D119 PolarHBondContact OG-OD2 2.88Å; S116-A120 PolarHBondContact O-N 3.02Å
117	P	94.6	Very high	94.2	Very high	56 Å²	56	36.1 Å²	36.1	36%	0.364	18%	0.183	S	C	.	.	H	α-helix	trans	-56.4	-35.5	173.5	23.8	-35.9	0	0	0	112.7	A88 D119 A120 E121	A88-P117 HydrophobicContact CB-CB 4.36Å; A88-P117 VanDerWaalsContact O-CB 3.25Å; A88-P117 WeakPolarHBondContact O-CB 3.44Å; P117-D119 VanDerWaalsContact C-N 3.33Å; P117-D119 PolarHBondContact O-N 2.89Å; P117-A120 WeakPolarHBondContact O-CB 3.42Å; P117-A120 PolarHBondContact O-N 3.38Å; P117-E121 PolarHBondContact O-N 3.44Å; P117-E121 VanDerWaalsContact O-N 3.16Å
118	C	93.1	Very high	94.3	Very high	80 Å²	80	36.2 Å²	36.2	54%	0.541	19%	0.185	S	C	.	.	H	α-helix	trans	-68.7	-31.9	-179.7	-57.9	0	0	0	0	112.3	S116 A120 E122	S116-C118 PolarHBondContact O-N 2.84Å; S116-C118 PolarHBondContact OG-N 3.36Å; C118-A120 VanDerWaalsContact C-N 3.33Å; C118-E122 VanDerWaalsContact O-CB 3.27Å; C118-E122 WeakPolarHBondContact O-CB 3.23Å; C118-E122 PolarHBondContact O-N 3.16Å
119	D	94.5	Very high	94.2	Very high	56 Å²	56	33.7 Å²	33.7	30%	0.299	18%	0.177	S	C	.	.	H	α-helix	trans	-68.8	-34	174.1	-57.9	-55.9	0	0	0	111.5	T114 S116 P117 E122 L123	T114-D119 HydrophobicContact CG2-CB 4.28Å; S116-D119 WeakPolarHBondContact CA-OD2 3.26Å; S116-D119 WeakPolarHBondContact CB-OD2 3.38Å; S116-D119 PolarHBondContact N-OD2 2.89Å; S116-D119 PolarHBondContact O-N 2.9Å; S116-D119 PolarHBondContact OG-N 3.25Å; S116-D119 PolarHBondContact OG-OD2 2.88Å; P117-D119 VanDerWaalsContact C-N 3.33Å; P117-D119 PolarHBondContact O-N 2.89Å; D119-E122 PolarHBondContact O-N 3.28Å; D119-L123 VanDerWaalsContact O-CB 3.26Å; D119-L123 WeakPolarHBondContact O-CB 3.44Å; D119-L123 PolarHBondContact O-N 2.86Å
120	A	94.5	Very high	94.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.1	-48.1	174.7	0	0	0	0	0	111.4	V93 T114 S116 P117 C118 E122 L123 N124	V93-A120 HydrophobicContact CG2-CB 3.61Å; V93-A120 VanDerWaalsContact CG2-O 3.28Å; V93-A120 WeakPolarHBondContact CG2-O 3.3Å; T114-A120 WeakPolarHBondContact OG1-CB 3.21Å; T114-A120 PolarHBondContact OG1-N 3.28Å; S116-A120 PolarHBondContact O-N 3.02Å; P117-A120 WeakPolarHBondContact O-CB 3.42Å; P117-A120 PolarHBondContact O-N 3.38Å; C118-A120 VanDerWaalsContact C-N 3.33Å; A120-E122 VanDerWaalsContact C-N 3.35Å; A120-L123 PolarHBondContact O-N 2.92Å; A120-N124 WeakPolarHBondContact O-CB 3.27Å; A120-N124 PolarHBondContact O-N 2.99Å
121	E	93.7	Very high	93.9	Very high	77 Å²	77	33.2 Å²	33.2	36%	0.36	18%	0.175	S	C	.	.	H	α-helix	trans	-62.7	-40.7	175.4	-68.2	173.4	177.3	0	0	111.8	A88 P117 R125	A88-E121 HydrophobicContact CB-CG 3.89Å; A88-E121 WeakPolarHBondContact CB-OE1 3.21Å; P117-E121 PolarHBondContact O-N 3.44Å; P117-E121 VanDerWaalsContact O-N 3.16Å; E121-R125 WeakPolarHBondContact O-CB 3.49Å; E121-R125 PolarHBondContact O-N 3.3Å
122	E	93.4	Very high	93.5	Very high	37 Å²	37	35.3 Å²	35.3	17%	0.173	18%	0.184	C	C	.	.	H	α-helix	trans	-65.8	-45.9	176.1	177.9	160.4	127	0	0	112.6	R15 C118 D119 A120 N124 R125 L126	R15-E122 IonicContact CZ-OE1 2.86Å; R15-E122 IonicContact NE-OE1 2.87Å; R15-E122 PolarHBondContact NE-OE1 3.35Å; R15-E122 IonicContact NH2-OE1 3.86Å; R15-E122 PolarHBondContact NH2-OE1 2.86Å; C118-E122 VanDerWaalsContact O-CB 3.27Å; C118-E122 WeakPolarHBondContact O-CB 3.23Å; C118-E122 PolarHBondContact O-N 3.16Å; D119-E122 PolarHBondContact O-N 3.28Å; A120-E122 VanDerWaalsContact C-N 3.35Å; E122-N124 VanDerWaalsContact C-N 3.31Å; E122-N124 PolarHBondContact O-N 3.47Å; E122-R125 VanDerWaalsContact CG-NH2 3.35Å; E122-R125 CarbonylContact O-C 3.53Å; E122-R125 WeakPolarHBondContact O-CB 3.47Å; E122-R125 PolarHBondContact O-N 2.94Å; E122-R125 IonicContact OE2-NH2 3.96Å; E122-R125 PolarHBondContact OE2-NH2 2.84Å; E122-L126 VanDerWaalsContact O-CB 3.26Å; E122-L126 WeakPolarHBondContact O-CB 3.46Å; E122-L126 PolarHBondContact O-N 2.79Å
123	L	94.7	Very high	93	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-38.3	178.4	179.3	58.1	0	0	0	111.2	R15 V55 V57 V93 T114 D119 A120 L126 I127	R15-L123 HydrophobicContact CB-CD1 4.29Å; R15-L123 HydrophobicContact CG-CD1 4.34Å; V55-L123 HydrophobicContact CB-CD1 4.45Å; V55-L123 HydrophobicContact CG1-CD1 4.07Å; V55-L123 HydrophobicContact CG2-CD2 4.48Å; V57-L123 HydrophobicContact CG2-CD1 3.97Å; V93-L123 HydrophobicContact CB-CD2 4.26Å; V93-L123 HydrophobicContact CG1-CD2 4.31Å; V93-L123 HydrophobicContact CG1-CG 4.26Å; V93-L123 HydrophobicContact CG2-CB 4.31Å; V93-L123 HydrophobicContact CG2-CD2 4.23Å; T114-L123 HydrophobicContact CG2-CD2 4.28Å; D119-L123 VanDerWaalsContact O-CB 3.26Å; D119-L123 WeakPolarHBondContact O-CB 3.44Å; D119-L123 PolarHBondContact O-N 2.86Å; A120-L123 PolarHBondContact O-N 2.92Å; L123-L126 HydrophobicContact CD1-CD2 4.26Å; L123-L126 PolarHBondContact O-N 3.5Å; L123-I127 HydrophobicContact CD1-CD1 4.45Å; L123-I127 HydrophobicContact CG-CD1 4.4Å; L123-I127 VanDerWaalsContact O-CG1 3.29Å; L123-I127 WeakPolarHBondContact O-CG1 3.41Å; L123-I127 PolarHBondContact O-N 3.3Å
124	N	95	Very high	92.6	Very high	31 Å²	31	36.3 Å²	36.3	17%	0.166	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-43.3	173.1	-168	43.4	0	0	0	111.8	C86 V93 A120 E122 L126 I127 G128	C86-N124 HydrophobicContact CB-CB 3.96Å; C86-N124 PolarHBondContact SG-ND2 3.49Å; V93-N124 HydrophobicContact CG1-CB 4.43Å; A120-N124 WeakPolarHBondContact O-CB 3.27Å; A120-N124 PolarHBondContact O-N 2.99Å; E122-N124 VanDerWaalsContact C-N 3.31Å; E122-N124 PolarHBondContact O-N 3.47Å; N124-L126 VanDerWaalsContact C-N 3.31Å; N124-L126 PolarHBondContact O-N 2.77Å; N124-I127 PolarHBondContact O-N 2.71Å; N124-G128 PolarHBondContact O-N 3.1Å
125	R	93.2	Very high	92.1	Very high	105 Å²	105	37 Å²	37	40%	0.396	19%	0.19	S	C	.	.	H	α-helix	trans	-62.1	-35.2	173.6	-176.6	176.2	68.8	-112.7	2.6	112.6	E121 E122 N129	E121-R125 WeakPolarHBondContact O-CB 3.49Å; E121-R125 PolarHBondContact O-N 3.3Å; E122-R125 VanDerWaalsContact CG-NH2 3.35Å; E122-R125 CarbonylContact O-C 3.53Å; E122-R125 WeakPolarHBondContact O-CB 3.47Å; E122-R125 PolarHBondContact O-N 2.94Å; E122-R125 IonicContact OE2-NH2 3.96Å; E122-R125 PolarHBondContact OE2-NH2 2.84Å; R125-N129 WeakPolarHBondContact O-CB 3.45Å; R125-N129 VanDerWaalsContact O-CG 3.26Å; R125-N129 PolarHBondContact O-N 3.26Å; R125-N129 PolarHBondContact O-OD1 2.63Å
126	L	94	Very high	91.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.2	-43.9	175.7	174.5	59.4	0	0	0	111.4	I13 R15 V57 E122 L123 N124 N129 A130 L160 H164	I13-L126 HydrophobicContact CB-CD1 4.15Å; I13-L126 HydrophobicContact CB-CD2 4.09Å; I13-L126 HydrophobicContact CD1-CD1 3.93Å; I13-L126 HydrophobicContact CG2-CD1 4.29Å; I13-L126 HydrophobicContact CG2-CD2 3.74Å; R15-L126 HydrophobicContact CG-CD2 4.15Å; V57-L126 HydrophobicContact CB-CD1 4.41Å; V57-L126 HydrophobicContact CB-CD2 3.92Å; V57-L126 HydrophobicContact CB-CG 3.85Å; V57-L126 HydrophobicContact CG1-CD1 4.42Å; V57-L126 HydrophobicContact CG1-CG 3.99Å; V57-L126 HydrophobicContact CG2-CD2 3.89Å; V57-L126 HydrophobicContact CG2-CG 4.06Å; E122-L126 VanDerWaalsContact O-CB 3.26Å; E122-L126 WeakPolarHBondContact O-CB 3.46Å; E122-L126 PolarHBondContact O-N 2.79Å; L123-L126 HydrophobicContact CD1-CD2 4.26Å; L123-L126 PolarHBondContact O-N 3.5Å; N124-L126 VanDerWaalsContact C-N 3.31Å; N124-L126 PolarHBondContact O-N 2.77Å; L126-N129 PolarHBondContact O-N 3.43Å; L126-A130 WeakPolarHBondContact O-CB 3.38Å; L126-A130 PolarHBondContact O-N 2.96Å; L126-L160 HydrophobicContact CD1-CD1 4.07Å; L126-L160 HydrophobicContact CD1-CD2 3.79Å; L126-L160 HydrophobicContact CD1-CG 3.78Å; L126-H164 WeakPolarHBondContact CA-NE2 3.37Å; L126-H164 HydrophobicContact CD1-CB 4.13Å; L126-H164 PolarHBondContact N-CE1 2.82Å
127	I	94.2	Very high	91.2	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-63	-46.5	173.3	-67.3	167.9	0	0	0	110.4	V57 I62 A84 V93 F95 L123 N124 N129 A130 F131	V57-I127 HydrophobicContact CG1-CG1 4.4Å; V57-I127 HydrophobicContact CG2-CG1 4.15Å; I62-I127 HydrophobicContact CD1-CD1 3.81Å; I62-I127 HydrophobicContact CD1-CG1 3.75Å; I62-I127 HydrophobicContact CD1-CG2 4.31Å; A84-I127 HydrophobicContact CB-CG2 3.89Å; V93-I127 HydrophobicContact CG1-CD1 4.49Å; F95-I127 HydrophobicContact CD1-CD1 4.47Å; L123-I127 HydrophobicContact CD1-CD1 4.45Å; L123-I127 HydrophobicContact CG-CD1 4.4Å; L123-I127 VanDerWaalsContact O-CG1 3.29Å; L123-I127 WeakPolarHBondContact O-CG1 3.41Å; L123-I127 PolarHBondContact O-N 3.3Å; N124-I127 PolarHBondContact O-N 2.71Å; I127-N129 PolarHBondContact O-N 3.24Å; I127-A130 PolarHBondContact O-N 2.98Å; I127-F131 HydrophobicContact CG2-CD2 3.94Å; I127-F131 HydrophobicContact CG2-CE2 3.69Å; I127-F131 VanDerWaalsContact O-CD2 3.27Å; I127-F131 WeakPolarHBondContact O-CD2 3.04Å; I127-F131 PolarHBondContact O-N 3.22Å
128	G	92	Very high	90.5	Very high	6 Å²	6	33.8 Å²	33.8	6%	0.062	17%	0.169	C	C	.	.	H	α-helix	trans	-58.4	-44.5	176	0	0	0	0	0	113.3	N124 F131 K132	N124-G128 PolarHBondContact O-N 3.1Å; G128-F131 PolarHBondContact O-N 3.04Å; G128-K132 WeakPolarHBondContact O-CG 3.48Å; G128-K132 PolarHBondContact O-N 3.46Å; G128-K132 VanDerWaalsContact O-N 3.08Å
129	N	90.6	Very high	89.8	Confident	32 Å²	32	33.4 Å²	33.4	17%	0.171	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-39.5	176.1	-73.5	2.6	0	0	0	112.1	R125 L126 I127 F131 K132 F133 L160 H164	R125-N129 WeakPolarHBondContact O-CB 3.45Å; R125-N129 VanDerWaalsContact O-CG 3.26Å; R125-N129 PolarHBondContact O-N 3.26Å; R125-N129 PolarHBondContact O-OD1 2.63Å; L126-N129 PolarHBondContact O-N 3.43Å; I127-N129 PolarHBondContact O-N 3.24Å; N129-F131 VanDerWaalsContact C-N 3.32Å; N129-F131 PolarHBondContact O-N 2.85Å; N129-K132 PolarHBondContact O-N 3.38Å; N129-F133 HydrophobicContact CB-CE2 4.48Å; N129-F133 WeakPolarHBondContact O-CG 3.32Å; N129-F133 PolarHBondContact O-N 3.46Å; N129-L160 HydrophobicContact CB-CD1 4.03Å; N129-H164 PolarHBondContact ND2-NE2 2.97Å
130	A	92	Very high	89.1	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-39.2	176	0	0	0	0	0	112	V57 L78 L126 I127 A134 L160	V57-A130 HydrophobicContact CG1-CB 3.81Å; L78-A130 HydrophobicContact CD1-CB 4.06Å; L78-A130 WeakPolarHBondContact CD1-O 3.39Å; L126-A130 WeakPolarHBondContact O-CB 3.38Å; L126-A130 PolarHBondContact O-N 2.96Å; I127-A130 PolarHBondContact O-N 2.98Å; A130-A134 VanDerWaalsContact O-CB 3.22Å; A130-A134 WeakPolarHBondContact O-CB 3.25Å; A130-A134 PolarHBondContact O-N 2.91Å; A130-L160 HydrophobicContact CB-CD1 4.2Å; A130-L160 HydrophobicContact CB-CD2 4.29Å
131	F	91.1	Very high	88.3	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.018	17%	0.17	C	C	.	.	H	α-helix	trans	-61.7	-49.5	170.8	-82	-68.2	0	0	0	112.7	L78 I81 I127 G128 N129 F133 A134 Y135 L1096	L78-F131 HydrophobicContact CB-CD1 4.47Å; L78-F131 HydrophobicContact CB-CE1 4.35Å; I81-F131 HydrophobicContact CB-CE1 4.4Å; I81-F131 HydrophobicContact CB-CZ 3.71Å; I81-F131 HydrophobicContact CG2-CE2 4.22Å; I81-F131 HydrophobicContact CG2-CZ 3.68Å; I127-F131 HydrophobicContact CG2-CD2 3.94Å; I127-F131 HydrophobicContact CG2-CE2 3.69Å; I127-F131 VanDerWaalsContact O-CD2 3.27Å; I127-F131 WeakPolarHBondContact O-CD2 3.04Å; I127-F131 PolarHBondContact O-N 3.22Å; G128-F131 PolarHBondContact O-N 3.04Å; N129-F131 VanDerWaalsContact C-N 3.32Å; N129-F131 PolarHBondContact O-N 2.85Å; F131-F133 PolarHBondContact O-N 2.89Å; F131-A134 PolarHBondContact O-N 2.87Å; F131-Y135 PolarHBondContact O-N 3.05Å; F131-L1096 HydrophobicContact CE1-CD1 4.15Å
132	K	88	Confident	87.6	Confident	45 Å²	45	36.2 Å²	36.2	20%	0.196	17%	0.168	C	C	.	.	H	α-helix	trans	-58.7	-46.7	-179.8	-67.6	175.9	-163.8	-170.2	0	111.2	G128 N129 Y135 V136 S1100 S1101	G128-K132 WeakPolarHBondContact O-CG 3.48Å; G128-K132 PolarHBondContact O-N 3.46Å; G128-K132 VanDerWaalsContact O-N 3.08Å; N129-K132 PolarHBondContact O-N 3.38Å; K132-Y135 PolarHBondContact O-N 2.7Å; K132-V136 WeakPolarHBondContact O-CG2 3.49Å; K132-V136 PolarHBondContact O-N 3.23Å; K132-S1100 VanDerWaalsContact CE-O 3.3Å; K132-S1100 WeakPolarHBondContact CE-O 3.18Å; K132-S1100 PolarHBondContact NZ-O 3.23Å; K132-S1101 VanDerWaalsContact CE-OG 3.23Å; K132-S1101 WeakPolarHBondContact CE-OG 3.19Å; K132-S1101 PolarHBondContact NZ-OG 3.47Å
133	F	87.4	Confident	86.6	Confident	29 Å²	29	38.7 Å²	38.7	13%	0.127	18%	0.182	C	C	.	.	H	α-helix	trans	-69.2	-34.5	177.9	-62.6	-22	0	0	0	113.1	I59 N129 F131 V136 R137 P158 L160	I59-F133 HydrophobicContact CG2-CB 4.01Å; N129-F133 HydrophobicContact CB-CE2 4.48Å; N129-F133 WeakPolarHBondContact O-CG 3.32Å; N129-F133 PolarHBondContact O-N 3.46Å; F131-F133 PolarHBondContact O-N 2.89Å; F133-V136 PolarHBondContact O-N 2.99Å; F133-R137 VanDerWaalsContact O-CB 3.3Å; F133-R137 WeakPolarHBondContact O-CB 3.23Å; F133-R137 PolarHBondContact O-N 2.82Å; F133-P158 HydrophobicContact CE1-CB 4.42Å; F133-P158 HydrophobicContact CZ-CB 4.02Å; F133-L160 HydrophobicContact CD2-CD1 3.79Å; F133-L160 HydrophobicContact CE2-CD1 3.98Å
134	A	87	Confident	85.4	Confident	10 Å²	10	44.9 Å²	44.9	8%	0.083	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-40.7	173.4	0	0	0	0	0	112.5	L78 A130 F131 R137 Q138	L78-A134 HydrophobicContact CD1-CB 3.72Å; A130-A134 VanDerWaalsContact O-CB 3.22Å; A130-A134 WeakPolarHBondContact O-CB 3.25Å; A130-A134 PolarHBondContact O-N 2.91Å; F131-A134 PolarHBondContact O-N 2.87Å; A134-R137 PolarHBondContact O-N 3.01Å; A134-Q138 WeakPolarHBondContact O-CB 3.35Å; A134-Q138 PolarHBondContact O-N 3.09Å
135	Y	84.2	Confident	84.1	Confident	23 Å²	23	50.4 Å²	50.4	9%	0.09	24%	0.236	C	C	.	.	H	α-helix	trans	-63.1	-46.5	173.7	174.9	-105.6	0	0	0	111.8	F131 K132 R137 Q138 R139 D1090 Y1093 Q1094	F131-Y135 PolarHBondContact O-N 3.05Å; K132-Y135 PolarHBondContact O-N 2.7Å; Y135-R137 PolarHBondContact O-N 2.99Å; Y135-Q138 PolarHBondContact O-N 3.08Å; Y135-R139 PolarHBondContact O-N 3.35Å; Y135-R139 WeakPolarHBondContact OH-CD 3.47Å; Y135-R139 PolarHBondContact OH-NH1 3.31Å; Y135-D1090 HydrophobicContact CE2-CB 4.26Å; Y135-Y1093 HydrophobicContact CD2-CG 4.35Å; Y135-Q1094 PolarHBondContact OH-OE1 3.44Å
136	V	85.5	Confident	82.5	Confident	59 Å²	59	50.4 Å²	50.4	36%	0.358	25%	0.248	S	C	.	.	H	α-helix	trans	-60.1	-45.3	175.3	171	0	0	0	0	111.3	K132 F133 Q138 R139 L140	K132-V136 WeakPolarHBondContact O-CG2 3.49Å; K132-V136 PolarHBondContact O-N 3.23Å; F133-V136 PolarHBondContact O-N 2.99Å; V136-Q138 VanDerWaalsContact C-N 3.33Å; V136-Q138 PolarHBondContact O-N 2.85Å; V136-R139 PolarHBondContact O-N 2.82Å; V136-L140 HydrophobicContact CG1-CD1 3.77Å; V136-L140 HydrophobicContact CG1-CG 4.37Å; V136-L140 WeakPolarHBondContact O-CB 3.49Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.16Å; V136-L140 PolarHBondContact O-N 3.06Å
137	R	82.1	Confident	80.4	Confident	47 Å²	47	53.2 Å²	53.2	18%	0.177	28%	0.277	C	S	.	.	H	α-helix	trans	-55.3	-47.1	173.7	-167.5	-173	-161.3	176.6	13	110.9	M8 D10 I59 F133 A134 Y135 I141	M8-R137 HydrophobicContact CE-CB 3.9Å; M8-R137 HydrophobicContact CE-CG 3.96Å; M8-R137 PolarHBondContact O-NH2 3.04Å; D10-R137 IonicContact OD1-CZ 2.76Å; D10-R137 IonicContact OD1-NH1 2.71Å; D10-R137 PolarHBondContact OD1-NH1 3.07Å; D10-R137 IonicContact OD1-NH2 2.9Å; D10-R137 PolarHBondContact OD1-NH2 2.91Å; I59-R137 VanDerWaalsContact CD1-NH1 3.32Å; F133-R137 VanDerWaalsContact O-CB 3.3Å; F133-R137 WeakPolarHBondContact O-CB 3.23Å; F133-R137 PolarHBondContact O-N 2.82Å; A134-R137 PolarHBondContact O-N 3.01Å; Y135-R137 PolarHBondContact O-N 2.99Å; R137-I141 HydrophobicContact CG-CD1 4.11Å; R137-I141 WeakPolarHBondContact O-CB 3.33Å; R137-I141 WeakPolarHBondContact O-CD1 3.37Å; R137-I141 WeakPolarHBondContact O-CG1 3.02Å; R137-I141 PolarHBondContact O-N 3.44Å
138	Q	80.8	Confident	77.8	Confident	65 Å²	65	62.5 Å²	62.5	30%	0.304	32%	0.317	S	S	.	.	H	α-helix	trans	-67.3	-44.4	-179.4	-174.6	171	-51.2	0	0	112.5	A134 Y135 V136 I141 K142	A134-Q138 WeakPolarHBondContact O-CB 3.35Å; A134-Q138 PolarHBondContact O-N 3.09Å; Y135-Q138 PolarHBondContact O-N 3.08Å; V136-Q138 VanDerWaalsContact C-N 3.33Å; V136-Q138 PolarHBondContact O-N 2.85Å; Q138-I141 PolarHBondContact O-N 3.07Å; Q138-K142 PolarHBondContact O-N 3.03Å
139	R	78.3	Confident	75.5	Confident	72 Å²	72	70 Å²	70	27%	0.272	35%	0.35	S	S	.	.	H	α-helix	trans	-66.7	-39.4	179	-169.3	166	177.8	176	-6.6	111.7	Y135 V136 K142 L143 L1084	Y135-R139 PolarHBondContact O-N 3.35Å; Y135-R139 WeakPolarHBondContact OH-CD 3.47Å; Y135-R139 PolarHBondContact OH-NH1 3.31Å; V136-R139 PolarHBondContact O-N 2.82Å; R139-K142 PolarHBondContact O-N 3.06Å; R139-L143 HydrophobicContact CG-CD1 4.46Å; R139-L143 WeakPolarHBondContact O-CG 3.46Å; R139-L143 PolarHBondContact O-N 3.5Å; R139-L1084 PolarHBondContact NH2-O 3.47Å
140	L	80.1	Confident	72.9	Confident	45 Å²	45	75 Å²	75	24%	0.236	38%	0.377	C	S	.	.	H	α-helix	trans	-64.2	-40.9	172.5	-71.9	170	0	0	0	112.3	V136 L143 H144 I157	V136-L140 HydrophobicContact CG1-CD1 3.77Å; V136-L140 HydrophobicContact CG1-CG 4.37Å; V136-L140 WeakPolarHBondContact O-CB 3.49Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.16Å; V136-L140 PolarHBondContact O-N 3.06Å; L140-L143 PolarHBondContact O-N 3.08Å; L140-H144 PolarHBondContact O-N 2.84Å; L140-H144 PolarHBondContact O-ND1 2.9Å; L140-I157 HydrophobicContact CD1-CD1 3.44Å; L140-I157 VanDerWaalsContact CD1-CD1 3.44Å; L140-I157 HydrophobicContact CD1-CG1 4.33Å
141	I	77.9	Confident	70.5	Confident	71 Å²	71	82.1 Å²	82.1	36%	0.364	41%	0.408	S	S	.	.	H	α-helix	trans	-62.7	-42.8	174.8	-71.3	165.4	0	0	0	111	R137 Q138 H144 Q145	R137-I141 HydrophobicContact CG-CD1 4.11Å; R137-I141 WeakPolarHBondContact O-CB 3.33Å; R137-I141 WeakPolarHBondContact O-CD1 3.37Å; R137-I141 WeakPolarHBondContact O-CG1 3.02Å; R137-I141 PolarHBondContact O-N 3.44Å; Q138-I141 PolarHBondContact O-N 3.07Å; I141-H144 PolarHBondContact O-N 2.86Å; I141-Q145 VanDerWaalsContact O-CG 3.31Å; I141-Q145 WeakPolarHBondContact O-CG 3.41Å; I141-Q145 PolarHBondContact O-N 2.86Å
142	K	77.1	Confident	68.1	Low	75 Å²	75	87.4 Å²	87.4	33%	0.326	45%	0.445	S	S	.	.	H	α-helix	trans	-59.1	-48	173.3	-73.4	-171.9	-179.6	-176.3	0	111.7	Q138 R139 H144 Q145 T146 D1090	Q138-K142 PolarHBondContact O-N 3.03Å; R139-K142 PolarHBondContact O-N 3.06Å; K142-H144 PolarHBondContact O-N 3.46Å; K142-Q145 WeakPolarHBondContact O-CB 3.41Å; K142-Q145 PolarHBondContact O-N 3.41Å; K142-T146 PolarHBondContact O-N 3.35Å; K142-T146 PolarHBondContact O-OG1 2.79Å; K142-D1090 IonicContact NZ-OD1 3.81Å; K142-D1090 PolarHBondContact NZ-OD1 3.16Å; K142-D1090 IonicContact NZ-OD2 2.68Å; K142-D1090 PolarHBondContact NZ-OD2 2.69Å
143	L	73.5	Confident	65.8	Low	89 Å²	89	90 Å²	90	47%	0.466	47%	0.465	S	S	.	.	H	α-helix	trans	-62.1	-38.5	-179.3	-72.6	170.1	0	0	0	113.2	R139 L140 Q145 T146	R139-L143 HydrophobicContact CG-CD1 4.46Å; R139-L143 WeakPolarHBondContact O-CG 3.46Å; R139-L143 PolarHBondContact O-N 3.5Å; L140-L143 PolarHBondContact O-N 3.08Å; L143-Q145 VanDerWaalsContact C-N 3.28Å; L143-Q145 PolarHBondContact O-N 2.63Å; L143-T146 PolarHBondContact O-N 2.87Å; L143-T146 PolarHBondContact O-OG1 3.4Å
144	H	68.6	Low	63.6	Low	132 Å²	132	94.2 Å²	94.2	61%	0.611	50%	0.496	S	S	*	.	H	α-helix	trans	-68.3	-26.1	173.6	-66.1	129.3	0	0	0	113.1	L140 I141 K142	L140-H144 PolarHBondContact O-N 2.84Å; L140-H144 PolarHBondContact O-ND1 2.9Å; I141-H144 PolarHBondContact O-N 2.86Å; K142-H144 PolarHBondContact O-N 3.46Å
145	Q	68	Low	61.8	Low	148 Å²	148	98.1 Å²	98.1	69%	0.692	52%	0.518	S	S	*	.	H	α-helix	trans	-79.9	-29.4	176.4	-71.5	171.2	2.9	0	0	113	I141 K142 L143 G147	I141-Q145 VanDerWaalsContact O-CG 3.31Å; I141-Q145 WeakPolarHBondContact O-CG 3.41Å; I141-Q145 PolarHBondContact O-N 2.86Å; K142-Q145 WeakPolarHBondContact O-CB 3.41Å; K142-Q145 PolarHBondContact O-N 3.41Å; L143-Q145 VanDerWaalsContact C-N 3.28Å; L143-Q145 PolarHBondContact O-N 2.63Å; Q145-G147 VanDerWaalsContact C-N 3.33Å; Q145-G147 PolarHBondContact O-N 2.88Å
146	T	60.9	Low	60.3	Low	105 Å²	105	103.3 Å²	103.3	64%	0.644	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	25.4	178.1	61.4	0	0	0	0	113.3	K142 L143 K148	K142-T146 PolarHBondContact O-N 3.35Å; K142-T146 PolarHBondContact O-OG1 2.79Å; L143-T146 PolarHBondContact O-N 2.87Å; L143-T146 PolarHBondContact O-OG1 3.4Å; T146-K148 PolarHBondContact O-N 2.75Å
147	G	48.9	Very low	58.9	Low	59 Å²	59	102.5 Å²	102.5	61%	0.608	54%	0.541	S	S	*	.			trans	-57.7	120.7	-158.4	0	0	0	0	0	116.7	Q145	Q145-G147 VanDerWaalsContact C-N 3.33Å; Q145-G147 PolarHBondContact O-N 2.88Å
148	K	40.6	Very low	58	Low	197 Å²	197	103.3 Å²	103.3	86%	0.857	55%	0.552	S	S	*	*			trans	-119	112	154	-75.4	-176.6	177.8	175.9	0	109.2	T146	T146-K148 PolarHBondContact O-N 2.75Å
149	H	42.1	Very low	57.3	Low	163 Å²	163	103.3 Å²	103.3	76%	0.755	55%	0.552	S	S	*	*	S	Bend	trans	55.6	126.3	164.9	-82.4	-91.8	0	0	0	120.5
150	D	36	Very low	57.2	Low	137 Å²	137	100 Å²	100	73%	0.733	54%	0.54	S	S	*	.			trans	60.2	56.6	131.6	-49.6	-14	0	0	0	120.3
151	F	42.4	Very low	56.8	Low	149 Å²	149	99.6 Å²	99.6	65%	0.654	54%	0.54	S	S	*	.			trans	-90.6	100.5	150.7	-89.2	-93.1	0	0	0	110.7
152	S	40.2	Very low	56	Low	115 Å²	115	101.1 Å²	101.1	80%	0.804	55%	0.549	S	S	*	.			trans	-94.1	-13	173.7	58.5	0	0	0	0	113.7
153	T	40.3	Very low	55.5	Low	99 Å²	99	100.3 Å²	100.3	61%	0.607	55%	0.553	S	S	*	*	S	Bend	trans	-77.9	125.8	179.2	-43.8	0	0	0	0	110.9	V155	T153-V155 PolarHBondContact O-N 2.72Å; T153-V155 VanDerWaalsContact O-N 3.08Å
154	P	41.6	Very low	55.3	Low	119 Å²	119	96.2 Å²	96.2	77%	0.773	53%	0.531	S	S	*	.			trans	-69.4	107.2	173.4	28.3	-33	0	0	0	109.9	N156	P154-N156 PolarHBondContact O-N 2.91Å
155	V	48.8	Very low	55.1	Low	92 Å²	92	94.1 Å²	94.1	56%	0.558	53%	0.53	S	S	*	.			trans	-69.6	102.2	175.6	-174.7	0	0	0	0	108.7	T153 I157	T153-V155 PolarHBondContact O-N 2.72Å; T153-V155 VanDerWaalsContact O-N 3.08Å; V155-I157 HydrophobicContact CG1-CG1 3.86Å; V155-I157 PolarHBondContact O-N 2.79Å
156	N	52.2	Low	54.8	Low	132 Å²	132	90.7 Å²	90.7	71%	0.706	52%	0.519	S	S	*	.			trans	-76.8	101.8	171.2	-168.8	-34.2	0	0	0	108.5	P154	P154-N156 PolarHBondContact O-N 2.91Å
157	I	56.6	Low	54.6	Low	42 Å²	42	90.7 Å²	90.7	22%	0.215	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-92	125	177.3	-50.6	169.7	0	0	0	107.1	M8 L140 V155 Q159	M8-I157 HydrophobicContact SD-CB 4.11Å; M8-I157 HydrophobicContact SD-CD1 4.19Å; M8-I157 HydrophobicContact SD-CG2 3.84Å; L140-I157 HydrophobicContact CD1-CD1 3.44Å; L140-I157 VanDerWaalsContact CD1-CD1 3.44Å; L140-I157 HydrophobicContact CD1-CG1 4.33Å; V155-I157 HydrophobicContact CG1-CG1 3.86Å; V155-I157 PolarHBondContact O-N 2.79Å; I157-Q159 PolarHBondContact O-N 3.31Å
158	P	62.3	Low	54.7	Low	63 Å²	63	94.4 Å²	94.4	41%	0.409	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-55.2	135.3	173.9	-25.3	34.6	0	0	0	111.5	F133	F133-P158 HydrophobicContact CE1-CB 4.42Å; F133-P158 HydrophobicContact CZ-CB 4.02Å
159	Q	67.3	Low	54.8	Low	65 Å²	65	87.3 Å²	87.3	30%	0.304	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-81.7	169.5	173	-52.5	-164.3	110.5	0	0	110.6	E11 I157 S161 D162	E11-Q159 PolarHBondContact OE1-NE2 3.03Å; E11-Q159 PolarHBondContact OE1-OE1 3.24Å; E11-Q159 VanDerWaalsContact OE2-CB 3.28Å; E11-Q159 WeakPolarHBondContact OE2-CB 3.1Å; I157-Q159 PolarHBondContact O-N 3.31Å; Q159-S161 VanDerWaalsContact C-N 3.32Å; Q159-S161 PolarHBondContact O-N 3.4Å; Q159-D162 PolarHBondContact N-OD2 2.77Å; Q159-D162 PolarHBondContact O-N 3.4Å
160	L	76.2	Confident	54.7	Low	4 Å²	4	87.7 Å²	87.7	2%	0.021	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-32.8	-177.8	-159.2	66	0	0	0	111.5	I13 V57 L126 N129 A130 F133 C163 H164	I13-L160 HydrophobicContact CD1-CB 4.13Å; I13-L160 HydrophobicContact CD1-CD2 4.26Å; I13-L160 HydrophobicContact CD1-CG 3.86Å; I13-L160 VanDerWaalsContact CD1-O 3.31Å; I13-L160 WeakPolarHBondContact CD1-O 3.43Å; I13-L160 HydrophobicContact CG1-CD2 4.43Å; V57-L160 HydrophobicContact CG1-CD2 4.47Å; L126-L160 HydrophobicContact CD1-CD1 4.07Å; L126-L160 HydrophobicContact CD1-CD2 3.79Å; L126-L160 HydrophobicContact CD1-CG 3.78Å; N129-L160 HydrophobicContact CB-CD1 4.03Å; A130-L160 HydrophobicContact CB-CD1 4.2Å; A130-L160 HydrophobicContact CB-CD2 4.29Å; F133-L160 HydrophobicContact CD2-CD1 3.79Å; F133-L160 HydrophobicContact CE2-CD1 3.98Å; L160-C163 PolarHBondContact O-N 3.22Å; L160-H164 PolarHBondContact O-N 2.94Å
161	S	71.3	Confident	54.5	Low	35 Å²	35	87 Å²	87	25%	0.245	49%	0.489	C	S	.	.	G	3₁₀ helix	trans	-71.2	-27.2	177.7	61.5	0	0	0	0	114.2	E11 Q159 C163 H164	E11-S161 VanDerWaalsContact CD-OG 3.25Å; E11-S161 PolarHBondContact OE1-OG 3.45Å; E11-S161 WeakPolarHBondContact OE2-CB 3.47Å; E11-S161 PolarHBondContact OE2-N 3.33Å; E11-S161 PolarHBondContact OE2-OG 2.76Å; Q159-S161 VanDerWaalsContact C-N 3.32Å; Q159-S161 PolarHBondContact O-N 3.4Å; S161-C163 PolarHBondContact O-N 3.15Å; S161-C163 VanDerWaalsContact O-N 3.16Å; S161-H164 CarbonylContact O-C 3.51Å; S161-H164 PolarHBondContact O-N 3.49Å; S161-H164 VanDerWaalsContact O-O 3.05Å
162	D	61.9	Low	54	Low	103 Å²	103	88.5 Å²	88.5	55%	0.551	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-61.3	-25.1	176.3	-59.6	-28.3	0	0	0	112	Q159	Q159-D162 PolarHBondContact N-OD2 2.77Å; Q159-D162 PolarHBondContact O-N 3.4Å
163	C	65.1	Low	53.4	Low	59 Å²	59	92 Å²	92	40%	0.399	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-103	-12.9	-179.8	-63.2	0	0	0	0	114.6	L160 S161	L160-C163 PolarHBondContact O-N 3.22Å; S161-C163 PolarHBondContact O-N 3.15Å; S161-C163 VanDerWaalsContact O-N 3.16Å
164	H	70.3	Confident	53	Low	2 Å²	2	93.3 Å²	93.3	1%	0.009	50%	0.497	C	S	.	.	S	Bend	trans	-150.2	122.7	-169.7	-71.3	-85.9	0	0	0	110.8	I13 L126 N129 L160 S161 V166	I13-H164 HydrophobicContact CD1-CB 3.67Å; L126-H164 WeakPolarHBondContact CA-NE2 3.37Å; L126-H164 HydrophobicContact CD1-CB 4.13Å; L126-H164 PolarHBondContact N-CE1 2.82Å; N129-H164 PolarHBondContact ND2-NE2 2.97Å; L160-H164 PolarHBondContact O-N 2.94Å; S161-H164 CarbonylContact O-C 3.51Å; S161-H164 PolarHBondContact O-N 3.49Å; S161-H164 VanDerWaalsContact O-O 3.05Å; H164-V166 PolarHBondContact O-N 2.85Å
165	P	64.6	Low	52.5	Low	89 Å²	89	93 Å²	93	58%	0.578	50%	0.498	S	S	*	.			trans	-63.7	133.8	-174.5	24.3	-33.1	0	0	0	111.8	R15 W167	R15-P165 VanDerWaalsContact CZ-O 3.29Å; R15-P165 PolarHBondContact NH1-O 3.07Å; R15-P165 PolarHBondContact NH2-O 3.03Å; P165-W167 PolarHBondContact O-N 3.41Å; P165-W167 VanDerWaalsContact O-N 3.16Å
166	V	61.8	Low	52.1	Low	76 Å²	76	95.5 Å²	95.5	46%	0.461	51%	0.508	S	S	.	.			trans	-72.7	108.9	176.8	-179.1	0	0	0	0	109.1	H164 L168	H164-V166 PolarHBondContact O-N 2.85Å; V166-L168 PolarHBondContact O-N 3.17Å
167	W	56.6	Low	51.4	Low	104 Å²	104	94.2 Å²	94.2	39%	0.394	51%	0.509	S	S	.	.			trans	-74.6	118.1	172.1	-173.6	87.4	0	0	0	109.1	Y14 I54 P165 P169	Y14-W167 WeakPolarHBondContact O-CB 3.46Å; I54-W167 HydrophobicContact CD1-CZ3 4.08Å; P165-W167 PolarHBondContact O-N 3.41Å; P165-W167 VanDerWaalsContact O-N 3.16Å; W167-P169 HydrophobicContact CE3-CB 4.48Å; W167-P169 HydrophobicContact CE3-CG 4.13Å; W167-P169 HydrophobicContact CH2-CB 4.2Å; W167-P169 VanDerWaalsContact CZ3-CA 3.49Å; W167-P169 HydrophobicContact CZ3-CB 3.78Å; W167-P169 HydrophobicContact CZ3-CG 3.75Å
168	L	49.7	Very low	50.5	Low	138 Å²	138	96.2 Å²	96.2	72%	0.723	52%	0.52	S	S	*	.			trans	-88.3	126	171.6	-72	171	0	0	0	108.9	V166 Q170	V166-L168 PolarHBondContact O-N 3.17Å; L168-Q170 PolarHBondContact O-N 3.02Å
169	P	44.1	Very low	49.4	Very low	47 Å²	47	97.7 Å²	97.7	31%	0.305	53%	0.531	S	S	.	.			trans	-58.2	113.6	175.2	-22.2	31.3	0	0	0	111.1	L69 W167 T171	L69-P169 HydrophobicContact CD1-CG 3.88Å; W167-P169 HydrophobicContact CE3-CB 4.48Å; W167-P169 HydrophobicContact CE3-CG 4.13Å; W167-P169 HydrophobicContact CH2-CB 4.2Å; W167-P169 VanDerWaalsContact CZ3-CA 3.49Å; W167-P169 HydrophobicContact CZ3-CB 3.78Å; W167-P169 HydrophobicContact CZ3-CG 3.75Å; P169-T171 PolarHBondContact O-N 3.34Å
170	Q	39	Very low	48.3	Very low	172 Å²	172	101.2 Å²	101.2	80%	0.804	55%	0.552	S	S	*	*			trans	-68.8	99.9	172.5	-66.9	-161.5	22.2	0	0	108.6	L168 E172	L168-Q170 PolarHBondContact O-N 3.02Å; Q170-E172 PolarHBondContact O-N 3.21Å
171	T	33.5	Very low	46.5	Very low	121 Å²	121	107 Å²	107	74%	0.742	58%	0.582	S	S	*	*			trans	-68.8	102.6	169.5	-54.4	0	0	0	0	107.8	P169 R173	P169-T171 PolarHBondContact O-N 3.34Å; T171-R173 PolarHBondContact O-N 2.97Å
172	E	31.2	Very low	44.8	Very low	181 Å²	181	109.5 Å²	109.5	85%	0.846	60%	0.599	S	S	*	*			trans	-61	99.4	175.1	-71.6	-143.1	147.8	0	0	110.3	Q170 N174	Q170-E172 PolarHBondContact O-N 3.21Å; E172-N174 PolarHBondContact O-N 3.06Å
173	R	27.6	Very low	43.8	Very low	188 Å²	188	109.8 Å²	109.8	71%	0.709	61%	0.605	S	S	*	*			trans	-72.6	84.5	167.7	-94.1	-177.2	-82	119.6	-4.2	108.4	T171 S175	T171-R173 PolarHBondContact O-N 2.97Å; R173-S175 PolarHBondContact O-N 3.06Å; R173-S175 PolarHBondContact O-OG 3.17Å
174	N	31.4	Very low	42.4	Very low	127 Å²	127	115.6 Å²	115.6	68%	0.679	62%	0.624	S	S	*	*			trans	-32.1	107.2	-177.9	-166.6	-13.7	0	0	0	112.5	E172 N176	E172-N174 PolarHBondContact O-N 3.06Å; N174-N176 PolarHBondContact O-N 2.58Å
175	S	31.7	Very low	41	Very low	114 Å²	114	124.5 Å²	124.5	80%	0.797	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	39.3	-156	-58.5	0	0	0	0	115.4	R173	R173-S175 PolarHBondContact O-N 3.06Å; R173-S175 PolarHBondContact O-OG 3.17Å
176	N	39.5	Very low	39.7	Very low	144 Å²	144	127.6 Å²	127.6	77%	0.77	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.8	0.7	-177.4	-74.7	-65.7	0	0	0	114.8	N174	N174-N176 PolarHBondContact O-N 2.58Å
177	S	37	Very low	39.3	Very low	104 Å²	104	129.1 Å²	129.1	73%	0.727	69%	0.685	S	S	*	*	S	Bend	trans	-124.8	11.3	-176.4	-164.7	0	0	0	0	115.4
178	L	37.6	Very low	39.4	Very low	84 Å²	84	129.8 Å²	129.8	44%	0.44	70%	0.703	S	S	.	*			trans	-113.4	18.3	-179.9	-65.9	-178.4	0	0	0	114.2	L180 L181	L178-L180 PolarHBondContact O-N 3.48Å; L178-L180 VanDerWaalsContact O-N 3.09Å; L178-L181 HydrophobicContact CD2-CB 4.39Å; L178-L181 HydrophobicContact CD2-CD1 4.42Å; L178-L181 HydrophobicContact CD2-CD2 4.22Å; L178-L181 PolarHBondContact O-N 2.89Å
179	S	40.6	Very low	39.3	Very low	94 Å²	94	128.5 Å²	128.5	66%	0.657	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-8.4	173.6	43.2	0	0	0	0	114.8	S182	S179-S182 PolarHBondContact O-OG 3.01Å
180	L	44.4	Very low	39.5	Very low	140 Å²	140	132.1 Å²	132.1	73%	0.733	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-14.6	170.8	-65.6	178.8	0	0	0	114.3	L178	L178-L180 PolarHBondContact O-N 3.48Å; L178-L180 VanDerWaalsContact O-N 3.09Å
181	L	37.9	Very low	39.5	Very low	124 Å²	124	133.3 Å²	133.3	65%	0.649	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-83.2	-16.3	177.6	-110.6	73.8	0	0	0	113.4	L178 T183	L178-L181 HydrophobicContact CD2-CB 4.39Å; L178-L181 HydrophobicContact CD2-CD1 4.42Å; L178-L181 HydrophobicContact CD2-CD2 4.22Å; L178-L181 PolarHBondContact O-N 2.89Å; L181-T183 PolarHBondContact O-N 2.95Å
182	S	35.5	Very low	40	Very low	88 Å²	88	137 Å²	137	62%	0.615	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-67.3	-13	174.1	51.4	0	0	0	0	114.4	S179	S179-S182 PolarHBondContact O-OG 3.01Å
183	T	41.5	Very low	41.6	Very low	110 Å²	110	133.7 Å²	133.7	68%	0.675	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-84.1	-18.9	-175.7	-58.9	0	0	0	0	113.3	L181 K185	L181-T183 PolarHBondContact O-N 2.95Å; T183-K185 PolarHBondContact O-N 3.25Å
184	F	34.9	Very low	42.7	Very low	180 Å²	180	130.3 Å²	130.3	79%	0.789	73%	0.732	S	S	*	*			trans	-83.2	49.5	175.4	-72.6	-71.3	0	0	0	113.2	L186	F184-L186 VanDerWaalsContact C-N 3.31Å; F184-L186 PolarHBondContact O-N 2.92Å
185	K	41.9	Very low	43.5	Very low	189 Å²	189	129.8 Å²	129.8	82%	0.822	74%	0.735	S	S	*	*			trans	-75.1	87.6	166.9	-170.5	168.7	-174.7	172.4	0	108.9	T183	T183-K185 PolarHBondContact O-N 3.25Å
186	L	36.1	Very low	44.1	Very low	155 Å²	155	130.7 Å²	130.7	81%	0.812	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-48.5	128.4	171.3	-78.6	166.5	0	0	0	109.5	F184	F184-L186 VanDerWaalsContact C-N 3.31Å; F184-L186 PolarHBondContact O-N 2.92Å
187	P	52.9	Low	44.2	Very low	107 Å²	107	129.2 Å²	129.2	70%	0.695	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-64.8	146.7	177.5	27.6	-34	0	0	0	109.8
188	P	59.2	Low	44	Very low	118 Å²	118	131.3 Å²	131.3	77%	0.766	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-59.5	141.2	173.7	26.8	-34.2	0	0	0	109.8
189	P	47.3	Very low	44.1	Very low	111 Å²	111	132 Å²	132	72%	0.721	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-60.6	139.6	-177.1	24.3	-33.8	0	0	0	111	K191	P189-K191 PolarHBondContact O-N 3.44Å
190	P	47.9	Very low	43.8	Very low	123 Å²	123	135 Å²	135	80%	0.799	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-64.6	121.2	-175.3	25.3	-33.8	0	0	0	111.3	F192	P190-F192 VanDerWaalsContact C-N 3.32Å; P190-F192 PolarHBondContact O-N 3.22Å
191	K	39.9	Very low	43.4	Very low	198 Å²	198	131.7 Å²	131.7	86%	0.861	76%	0.764	S	S	*	*			trans	-80	67.9	-179.1	-69	-173.6	176.3	-177.3	0	112.7	P189	P189-K191 PolarHBondContact O-N 3.44Å
192	F	43.2	Very low	43.3	Very low	197 Å²	197	131.8 Å²	131.8	86%	0.864	77%	0.77	S	S	*	*			trans	-141.5	126.3	164.2	-78.7	-74.4	0	0	0	111.4	P190	P190-F192 VanDerWaalsContact C-N 3.32Å; P190-F192 PolarHBondContact O-N 3.22Å
193	P	65.6	Low	43.3	Very low	113 Å²	113	134.1 Å²	134.1	73%	0.734	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-73.5	150.1	168.9	32.1	-33.8	0	0	0	110.5
194	P	50.8	Low	43	Very low	117 Å²	117	132.4 Å²	132.4	76%	0.76	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-67.8	147.4	174.1	29.2	-34.5	0	0	0	111.3
195	P	48.3	Very low	43	Very low	116 Å²	116	132 Å²	132	75%	0.753	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-73.3	138.7	-176.1	29.5	-35	0	0	0	112.7	S197	P195-S197 PolarHBondContact O-N 3.42Å
196	V	44.1	Very low	42.8	Very low	133 Å²	133	129.4 Å²	129.4	81%	0.806	77%	0.769	S	S	*	*			trans	-68.7	115	174.9	-177.2	0	0	0	0	109.7	I198	V196-I198 HydrophobicContact CG1-CG1 4.17Å
197	S	40.7	Very low	42.9	Very low	112 Å²	112	129.1 Å²	129.1	78%	0.783	76%	0.764	S	S	*	*			trans	-91.2	104.2	173.9	-64.3	0	0	0	0	110.2	P195	P195-S197 PolarHBondContact O-N 3.42Å
198	I	33.6	Very low	42.1	Very low	148 Å²	148	129.4 Å²	129.4	76%	0.759	76%	0.763	S	S	*	*			trans	-84.3	121.4	175.2	-61.1	172.9	0	0	0	108.7	V196	V196-I198 HydrophobicContact CG1-CG1 4.17Å
199	A	40.3	Very low	41	Very low	98 Å²	98	130.1 Å²	130.1	81%	0.81	76%	0.761	S	S	*	*			trans	-136.2	103.3	177.4	0	0	0	0	0	111.1
200	N	34.9	Very low	40.6	Very low	158 Å²	158	131.2 Å²	131.2	85%	0.845	76%	0.76	S	S	*	*			trans	-51.8	147.6	-170.3	-54.1	-31.8	0	0	0	117.4
201	G	35.3	Very low	40	Very low	70 Å²	70	130.2 Å²	130.2	72%	0.722	76%	0.756	S	S	*	*			trans	146.1	132.7	155.3	0	0	0	0	0	113.5
202	T	36.2	Very low	39.9	Very low	127 Å²	127	125.8 Å²	125.8	78%	0.779	75%	0.75	S	S	*	*			cis	-159.9	145.3	-2.1	-59.5	0	0	0	0	109.2
203	T	35.8	Very low	39.6	Very low	136 Å²	136	122.8 Å²	122.8	83%	0.834	75%	0.75	S	S	*	*			trans	61.3	141.8	169.6	37.9	0	0	0	0	118.1
204	A	35.2	Very low	38.3	Very low	75 Å²	75	120.9 Å²	120.9	62%	0.62	75%	0.751	S	S	*	*			cis	-158.5	156.4	-7.4	0	0	0	0	0	111.2
205	E	34.3	Very low	37.5	Very low	171 Å²	171	122.2 Å²	122.2	80%	0.799	75%	0.75	S	S	*	*			trans	63.4	138.8	152.7	-72.5	-179.2	143.3	0	0	120.2
206	Q	37.4	Very low	37	Very low	134 Å²	134	122.7 Å²	122.7	63%	0.626	74%	0.742	S	S	*	*			cis	-160.7	145	-9	-153.1	168.5	84.7	0	0	111.5
207	Q	37.1	Very low	36.6	Very low	150 Å²	150	125.5 Å²	125.5	70%	0.701	74%	0.74	S	S	*	*			trans	63	104.7	158	-81.1	165.2	34.3	0	0	120.7
208	T	36.2	Very low	36.4	Very low	112 Å²	112	125.2 Å²	125.2	69%	0.687	73%	0.734	S	S	*	*				72	147.2	98.3	55.7	0	0	0	0	116.3
209	N	37.1	Very low	36.4	Very low	133 Å²	133	125.1 Å²	125.1	71%	0.711	74%	0.735	S	S	*	*			cis	-172.6	172.8	2.9	-100	-4.9	0	0	0	107.9
210	L	38.1	Very low	36.2	Very low	135 Å²	135	125.5 Å²	125.5	71%	0.707	73%	0.727	S	S	*	*			cis	-169	157.5	-16.6	-110.5	171.5	0	0	0	110
211	S	34.9	Very low	36.2	Very low	101 Å²	101	124.4 Å²	124.4	71%	0.706	72%	0.721	S	S	*	*			trans	47	153.4	146.8	-79.7	0	0	0	0	124.1
212	S	38.2	Very low	36.3	Very low	105 Å²	105	126.9 Å²	126.9	73%	0.734	72%	0.722	S	S	*	*			cis	-166	160.4	-6.2	-93.4	0	0	0	0	111.2
213	P	37.5	Very low	36.3	Very low	134 Å²	134	127.9 Å²	127.9	87%	0.87	72%	0.721	S	S	*	*			trans	-107.9	174.1	173.8	39.8	-33.2	0	0	0	115.6
214	G	37.6	Very low	36.3	Very low	74 Å²	74	126.1 Å²	126.1	76%	0.763	71%	0.714	S	S	*	*			trans	-152.9	172.4	178.9	0	0	0	0	0	114.5
215	I	34.3	Very low	36.3	Very low	145 Å²	145	127.9 Å²	127.9	74%	0.744	72%	0.718	S	S	*	*			trans	-141.7	150.3	-159	-38.8	174.2	0	0	0	112
216	H	37.4	Very low	36.3	Very low	126 Å²	126	124.8 Å²	124.8	58%	0.583	71%	0.714	S	S	*	*				146.2	144	126.2	-87.2	-68	0	0	0	121.4
217	Y	36.3	Very low	36.3	Very low	192 Å²	192	126.2 Å²	126.2	75%	0.753	73%	0.725	S	S	*	*			trans	65.2	158.1	142.8	-63.8	-37	0	0	0	121.9
218	T	36.2	Very low	36.2	Very low	106 Å²	106	126.4 Å²	126.4	65%	0.65	73%	0.731	S	S	*	*				-172	164.8	-50.5	20.4	0	0	0	0	111.3
219	N	34.4	Very low	36.6	Very low	146 Å²	146	126.1 Å²	126.1	78%	0.781	73%	0.731	S	S	*	*			trans	75.1	168.7	158.8	-62.1	-5.3	0	0	0	120.2
220	T	35.2	Very low	36.5	Very low	105 Å²	105	125.9 Å²	125.9	64%	0.644	73%	0.734	S	S	*	*				-158.9	172.8	-62.1	-30.5	0	0	0	0	110
221	D	35.9	Very low	36.5	Very low	135 Å²	135	123.9 Å²	123.9	72%	0.722	74%	0.737	S	S	*	*			trans	92.8	101	143.6	-66.2	-30.5	0	0	0	125.9
222	V	36.4	Very low	36.6	Very low	123 Å²	123	124 Å²	124	75%	0.745	74%	0.738	S	S	*	*				56.7	144.8	126.7	-143.1	0	0	0	0	125.2
223	I	37.7	Very low	36.6	Very low	147 Å²	147	126.4 Å²	126.4	75%	0.754	74%	0.741	S	S	*	*			trans	111.5	122.9	146.7	-53.3	176.7	0	0	0	118.7
224	S	35.5	Very low	36.5	Very low	100 Å²	100	124.6 Å²	124.6	70%	0.699	73%	0.732	S	S	*	*			trans	58.4	165.8	157.5	-87.4	0	0	0	0	122.1
225	T	34.8	Very low	36.4	Very low	112 Å²	112	125.1 Å²	125.1	69%	0.687	72%	0.72	S	S	*	*			cis	-169.7	144.9	-45.5	27.1	0	0	0	0	106.5
226	C	34.3	Very low	36.5	Very low	106 Å²	106	122.5 Å²	122.5	72%	0.716	71%	0.711	S	S	*	*			trans	36.9	115.8	163.6	59.1	0	0	0	0	120.5
227	D	37.7	Very low	36.2	Very low	163 Å²	163	122.7 Å²	122.7	87%	0.872	71%	0.714	S	S	*	*				-172.1	164	103.2	-90.2	-19.9	0	0	0	112.4
228	D	35.4	Very low	35.8	Very low	154 Å²	154	117.9 Å²	117.9	82%	0.824	71%	0.708	S	S	*	*			trans	-89.4	177.9	-177.3	-101.6	-47.7	0	0	0	112.6
229	P	42.8	Very low	35.6	Very low	106 Å²	106	118.6 Å²	118.6	69%	0.688	71%	0.713	S	S	*	*			cis	-136.8	-160.9	-18.1	26.2	-0.8	0	0	0	113.7
230	V	36.5	Very low	35.4	Very low	128 Å²	128	119 Å²	119	78%	0.776	71%	0.714	S	S	*	*			trans	101.9	101.5	151.1	-169.5	0	0	0	0	120.3
231	A	38.2	Very low	35.2	Very low	93 Å²	93	119 Å²	119	77%	0.769	72%	0.717	S	S	*	*			trans	64.7	113.9	138.4	0	0	0	0	0	124
232	S	36.9	Very low	34.9	Very low	104 Å²	104	120.3 Å²	120.3	73%	0.727	72%	0.719	S	S	*	*				118.6	136	118.3	-146.4	0	0	0	0	120
233	I	37.4	Very low	34.5	Very low	155 Å²	155	120.8 Å²	120.8	80%	0.795	72%	0.717	S	S	*	*			trans	55.1	95.4	157.6	55.7	176.5	0	0	0	123.6
234	S	34.7	Very low	34.1	Very low	97 Å²	97	118.6 Å²	118.6	68%	0.678	72%	0.715	S	S	*	*				100.9	95.7	108.3	-155.6	0	0	0	0	123.3
235	T	36.3	Very low	33.8	Very low	84 Å²	84	121.3 Å²	121.3	52%	0.515	72%	0.72	S	S	.	*				98.6	142.1	118.5	-56.6	0	0	0	0	123.2	T1060 N1061	T235-T1060 CarbonylContact O-C 3.59Å; T235-T1060 VanDerWaalsContact O-CA 3.28Å; T235-T1060 WeakPolarHBondContact O-CA 3.41Å; T235-T1060 PolarHBondContact O-N 2.93Å; T235-N1061 PolarHBondContact O-N 3.35Å
236	T	35.7	Very low	33.5	Very low	90 Å²	90	124.5 Å²	124.5	55%	0.552	73%	0.728	S	S	*	*			trans	84.2	90.1	163.1	22.4	0	0	0	0	123.2	T1060	T236-T1060 WeakPolarHBondContact O-CA 3.33Å
237	M	32	Very low	33.4	Very low	130 Å²	130	124.4 Å²	124.4	64%	0.64	73%	0.728	S	S	*	*				53.7	133.9	121	-69.3	-65.4	102.6	0	0	125.5
238	S	28.2	Very low	32.9	Very low	91 Å²	91	121.5 Å²	121.5	64%	0.636	72%	0.721	S	S	*	*			trans	-171	137.9	151.3	-86.4	0	0	0	0	113.8
239	T	32.5	Very low	32.6	Very low	122 Å²	122	118.7 Å²	118.7	75%	0.748	72%	0.719	S	S	*	*			trans	60	162	153.7	61	0	0	0	0	120.7
240	L	28.7	Very low	32	Very low	153 Å²	153	119.6 Å²	119.6	80%	0.801	72%	0.722	S	S	*	*			cis	-168.6	172.9	-32	-108	170.6	0	0	0	109.4
241	C	31.2	Very low	31.6	Very low	106 Å²	106	120 Å²	120	72%	0.716	72%	0.72	S	S	*	*			trans	76.1	111.6	155.9	-67.2	0	0	0	0	123.7
242	H	30.5	Very low	31.3	Very low	163 Å²	163	124.6 Å²	124.6	76%	0.755	73%	0.728	S	S	*	*				58.2	131.6	118.2	-81.5	-80.1	0	0	0	126.3
243	D	28	Very low	30.9	Very low	132 Å²	132	129.9 Å²	129.9	71%	0.706	73%	0.733	S	S	*	*			trans	81.9	115.1	133.4	-64.7	-3	0	0	0	125.2
244	S	28.9	Very low	30.6	Very low	101 Å²	101	131 Å²	131	71%	0.706	73%	0.732	S	S	*	*				83.1	126.8	126.8	-73.2	0	0	0	0	124.2
245	L	29.8	Very low	30.4	Very low	157 Å²	157	134.1 Å²	134.1	82%	0.822	73%	0.734	S	S	*	*			trans	87.2	151.2	134.5	-75.8	168.4	0	0	0	122.9
246	E	28.3	Very low	30.2	Very low	180 Å²	180	135.7 Å²	135.7	84%	0.841	74%	0.739	S	S	*	*			trans	85.7	144.3	152.9	-83.4	177.9	-176.9	0	0	124.1
247	S	31.2	Very low	29.9	Very low	104 Å²	104	137 Å²	137	73%	0.727	75%	0.747	S	S	*	*			trans	47.5	127.8	173.6	-87.7	0	0	0	0	120.6
248	S	27.8	Very low	29.7	Very low	102 Å²	102	136.7 Å²	136.7	71%	0.713	75%	0.752	S	S	*	*			cis	76.8	120.1	25	105.1	0	0	0	0	115.9
249	A	28.7	Very low	29.8	Very low	95 Å²	95	142.1 Å²	142.1	79%	0.785	77%	0.765	S	S	*	*			trans	55.2	128.6	169.3	0	0	0	0	0	119.8
250	V	30.6	Very low	29.7	Very low	125 Å²	125	144.9 Å²	144.9	76%	0.758	77%	0.768	S	S	*	*				171.2	122.1	106.7	157.4	0	0	0	0	111.1
251	N	29.3	Very low	29.6	Very low	136 Å²	136	146.1 Å²	146.1	73%	0.727	77%	0.77	S	S	*	*			trans	22.4	134.4	150	-50.6	-22.9	0	0	0	121.6
252	M	30	Very low	29.6	Very low	190 Å²	190	145.4 Å²	145.4	94%	0.936	77%	0.766	S	S	*	*				-151.1	160.5	100.5	-136.9	158.3	62.6	0	0	113
253	Y	28.4	Very low	29.7	Very low	214 Å²	214	145.4 Å²	145.4	84%	0.839	77%	0.771	S	S	*	*			trans	-133.7	177.2	-165	-114.3	-89.5	0	0	0	111.2
254	K	31.2	Very low	30	Very low	179 Å²	179	144.3 Å²	144.3	78%	0.778	77%	0.771	S	S	*	*			trans	91.3	114.3	155.8	-129.7	160.7	-177.3	-179.7	0	114.4
255	K	31.3	Very low	30	Very low	162 Å²	162	145.6 Å²	145.6	70%	0.704	78%	0.775	S	S	*	*				71	147.2	78.1	-105	173.9	154.3	-77.1	0	111.8
256	D	31.9	Very low	29.9	Very low	117 Å²	117	142.8 Å²	142.8	63%	0.626	76%	0.764	S	S	*	*			cis	-140	168.2	25.6	-126.6	-52.3	0	0	0	115.5
257	T	29.5	Very low	30.2	Very low	119 Å²	119	142.2 Å²	142.2	73%	0.73	76%	0.761	S	S	*	*			trans	-111.3	132.2	-170.2	-61	0	0	0	0	112
258	V	28.5	Very low	30.2	Very low	122 Å²	122	144.4 Å²	144.4	74%	0.739	77%	0.765	S	S	*	*			trans	44.8	122.3	159.2	178.9	0	0	0	0	118.7
259	K	29.8	Very low	30.7	Very low	206 Å²	206	144.6 Å²	144.6	90%	0.896	76%	0.763	S	S	*	*			trans	-129.8	127.3	137.6	-74	-169	175.5	-173.4	0	108.8
260	H	29.3	Very low	30.9	Very low	179 Å²	179	146.1 Å²	146.1	83%	0.829	76%	0.763	S	S	*	*			trans	-153	93.2	175.8	-145.2	-69.5	0	0	0	110.7
261	E	28.5	Very low	30.8	Very low	180 Å²	180	146.2 Å²	146.2	84%	0.841	76%	0.764	S	S	*	*			trans	-152.5	117.8	169.5	-115.1	-173.6	125.3	0	0	105.8
262	S	30.6	Very low	31.1	Very low	91 Å²	91	144.2 Å²	144.2	64%	0.636	76%	0.761	S	S	*	*				79.5	131.6	102.6	71.6	0	0	0	0	113
263	L	31.5	Very low	31.3	Very low	163 Å²	163	140.1 Å²	140.1	85%	0.853	75%	0.751	S	S	*	*			cis	-148.8	-171.6	-3.7	-107.1	168	0	0	0	107.4
264	P	34.1	Very low	31.7	Very low	108 Å²	108	134.5 Å²	134.5	70%	0.701	74%	0.743	S	S	*	*			trans	-111.9	-136.8	-146.1	44.1	-31.6	0	0	0	112.8
265	V	29.8	Very low	31.9	Very low	129 Å²	129	131 Å²	131	78%	0.782	74%	0.741	S	S	*	*			trans	91.8	127.1	171	-178.8	0	0	0	0	114.3
266	T	28.7	Very low	32.1	Very low	97 Å²	97	127.8 Å²	127.8	60%	0.595	74%	0.739	S	S	*	*			cis	-172.2	159	-11.5	-100.9	0	0	0	0	110.1
267	E	33.6	Very low	32.4	Very low	169 Å²	169	128.4 Å²	128.4	79%	0.79	74%	0.742	S	S	*	*			trans	60	153	162.5	-82.2	149.8	-137.2	0	0	119.4
268	N	30.5	Very low	32.7	Very low	149 Å²	149	130.1 Å²	130.1	80%	0.797	75%	0.747	S	S	*	*			cis	-165.2	165.3	-34.4	-117.4	-15.9	0	0	0	107.5
269	P	40	Very low	33.1	Very low	106 Å²	106	131.5 Å²	131.5	69%	0.688	75%	0.75	S	S	*	*			trans	-108	162.1	-168.9	39.5	-34.3	0	0	0	115.1
270	T	30.9	Very low	33.7	Very low	127 Å²	127	125.8 Å²	125.8	78%	0.779	73%	0.734	S	S	*	*			trans	-162.6	146.6	150.8	7.9	0	0	0	0	114.2
271	T	30	Very low	34	Very low	128 Å²	128	123.9 Å²	123.9	79%	0.785	73%	0.73	S	S	*	*			trans	62.9	145	150.8	50.1	0	0	0	0	120.5
272	S	34.8	Very low	34.2	Very low	94 Å²	94	123.4 Å²	123.4	66%	0.657	73%	0.728	S	S	*	*			cis	-170.8	170	-10.3	50.1	0	0	0	0	111.8
273	S	35.3	Very low	34.3	Very low	104 Å²	104	126 Å²	126	73%	0.727	73%	0.734	S	S	*	*			trans	64.2	146	145.6	48.9	0	0	0	0	120.1
274	S	35.5	Very low	34.1	Very low	96 Å²	96	123 Å²	123	67%	0.671	73%	0.727	S	S	*	*			cis	-176.9	161.1	-10.1	48.7	0	0	0	0	110.8
275	S	35.2	Very low	34.2	Very low	104 Å²	104	123.3 Å²	123.3	73%	0.727	73%	0.726	S	S	*	*			trans	60.7	162.2	149.3	55.5	0	0	0	0	118.3
276	S	37	Very low	34.3	Very low	95 Å²	95	125.9 Å²	125.9	66%	0.664	73%	0.729	S	S	*	*			cis	-170.1	170.5	-9.2	36.5	0	0	0	0	108.3
277	D	36.8	Very low	34.3	Very low	131 Å²	131	126 Å²	126	70%	0.701	73%	0.734	S	S	*	*			cis	-168.9	172.2	-29.6	-83.4	-31.9	0	0	0	107.5
278	N	36	Very low	34.1	Very low	155 Å²	155	125 Å²	125	83%	0.829	73%	0.734	S	S	*	*			trans	78.7	125.5	172.5	-41.3	-80.9	0	0	0	115.6
279	D	37.7	Very low	34	Very low	151 Å²	151	123.1 Å²	123.1	81%	0.807	73%	0.732	S	S	*	*			cis	84.7	158.5	28.8	-138.5	40.2	0	0	0	113.4
280	P	42.9	Very low	33.5	Very low	85 Å²	85	123.5 Å²	123.5	55%	0.552	73%	0.733	S	S	*	*				-134.7	-158	-90.8	43.3	-26.4	0	0	0	115.1
281	N	33.9	Very low	33.4	Very low	140 Å²	140	124.7 Å²	124.7	75%	0.749	73%	0.734	S	S	*	*			trans	92.1	124.4	167.8	-49.8	-74.5	0	0	0	118.6
282	Q	33.6	Very low	33.4	Very low	169 Å²	169	123 Å²	123	79%	0.79	72%	0.722	S	S	*	*				171.6	146.9	96.9	-91.7	-167.6	90.5	0	0	113.5
283	L	33.3	Very low	33.1	Very low	146 Å²	146	128.1 Å²	128.1	76%	0.764	73%	0.728	S	S	*	*			trans	60.4	124.3	161.7	-57.6	158.5	0	0	0	116.8
284	S	27.5	Very low	33.1	Very low	101 Å²	101	127.7 Å²	127.7	71%	0.706	72%	0.717	S	S	*	*			cis	60.9	106	13.4	-164.7	0	0	0	0	116.4
285	V	34.4	Very low	33.2	Very low	114 Å²	114	131.1 Å²	131.1	69%	0.691	72%	0.72	S	S	*	*				-173.9	137.5	105.5	-89	0	0	0	0	115.1
286	H	33.9	Very low	33.1	Very low	182 Å²	182	134.5 Å²	134.5	84%	0.843	72%	0.724	S	S	*	*			trans	66.1	167.1	141.5	-65.8	-46.2	0	0	0	124.3
287	S	27.6	Very low	33	Very low	99 Å²	99	133.5 Å²	133.5	69%	0.692	73%	0.729	S	S	*	*			trans	-127.5	-179.3	-159.1	-46.1	0	0	0	0	112.4
288	D	29	Very low	33	Very low	150 Å²	150	134.5 Å²	134.5	80%	0.802	73%	0.734	S	S	*	*			trans	70.7	107.6	153.2	-58.4	-23.5	0	0	0	119.4
289	S	28.7	Very low	32.9	Very low	108 Å²	108	133.2 Å²	133.2	76%	0.755	73%	0.727	S	S	*	*				142.4	168.5	96.8	70.4	0	0	0	0	116.5
290	V	30	Very low	32.6	Very low	114 Å²	114	132.2 Å²	132.2	69%	0.691	72%	0.721	S	S	*	*			trans	78.7	108.6	146.2	163.6	0	0	0	0	120.8
291	L	27.6	Very low	32.1	Very low	153 Å²	153	135.6 Å²	135.6	80%	0.801	73%	0.733	S	S	*	*				51.6	153.7	121.7	-48.1	-176.5	0	0	0	120.1
292	V	30	Very low	32.1	Very low	91 Å²	91	133.4 Å²	133.4	55%	0.552	73%	0.729	S	S	*	*			cis	-178.3	162.7	-0.2	120.7	0	0	0	0	112.4
293	R	29.1	Very low	32	Very low	203 Å²	203	134.4 Å²	134.4	77%	0.766	73%	0.734	S	S	*	*			trans	69.7	164.8	160.4	-94.4	176.8	-69.9	145.8	-2.3	118.3
294	D	35.2	Very low	31.8	Very low	95 Å²	95	132.4 Å²	132.4	51%	0.508	73%	0.732	S	S	.	*			cis	-134.6	140.8	-3.6	-96.2	-58.9	0	0	0	107.8
295	K	38.1	Very low	32.1	Very low	168 Å²	168	134.8 Å²	134.8	73%	0.73	74%	0.736	S	S	*	*				59.1	159.8	98.4	-50.1	180	-174.4	166.8	0	117.8
296	E	33.2	Very low	32.2	Very low	174 Å²	174	137.7 Å²	137.7	81%	0.813	74%	0.74	S	S	*	*			cis	-135.5	145.9	7.2	-69.7	-178	157.4	0	0	110.7
297	G	34.5	Very low	32.4	Very low	74 Å²	74	135.6 Å²	135.6	76%	0.763	74%	0.735	S	S	*	*				115.2	149.4	101	0	0	0	0	0	111.1
298	L	36.5	Very low	33.1	Very low	153 Å²	153	134.2 Å²	134.2	80%	0.801	73%	0.729	S	S	*	*			cis	-149.8	144.2	1.7	-79.6	164.8	0	0	0	110.4
299	N	34.7	Very low	33.8	Very low	128 Å²	128	130.3 Å²	130.3	68%	0.684	71%	0.714	S	S	*	*			trans	49.9	151.1	143.3	-55	-12.9	0	0	0	121.8
300	N	30.6	Very low	34.4	Very low	130 Å²	130	130.7 Å²	130.7	70%	0.695	70%	0.704	S	S	*	*			cis	-173	138.8	-19.1	-95.6	-23	0	0	0	105.4
301	I	33.5	Very low	34.8	Very low	156 Å²	156	130.9 Å²	130.9	80%	0.8	70%	0.7	S	S	*	*				179.2	158	81.4	-113.4	140.5	0	0	0	110.3
302	S	33.7	Very low	35.5	Very low	94 Å²	94	129.7 Å²	129.7	66%	0.657	69%	0.69	S	S	*	*			trans	4.3	120.9	174.5	61.1	0	0	0	0	120.4
303	Q	31.1	Very low	36.3	Very low	190 Å²	190	133.3 Å²	133.3	89%	0.888	70%	0.699	S	S	*	*				81.3	88.1	51.7	-65.1	179.4	-4.7	0	0	116.8
304	S	28.8	Very low	36.9	Very low	104 Å²	104	129.3 Å²	129.3	73%	0.727	69%	0.687	S	S	*	*			trans	-149.3	168.7	143	61.5	0	0	0	0	108.7
305	N	34.1	Very low	37.1	Very low	150 Å²	150	130 Å²	130	80%	0.802	69%	0.69	S	S	*	*			trans	60.1	73.2	178.7	-55.4	-20.9	0	0	0	115.9
306	K	36.8	Very low	37.1	Very low	175 Å²	175	129.3 Å²	129.3	76%	0.761	69%	0.689	S	S	*	*			trans	-98.3	-18.7	177.8	-144.3	172.4	-174.7	-179.3	0	114.9	S309	K306-S309 PolarHBondContact O-OG 2.96Å
307	D	38.7	Very low	37.3	Very low	139 Å²	139	131.8 Å²	131.8	74%	0.743	69%	0.691	S	S	*	*	S	Bend	trans	-82.4	-23	-169.8	-47.8	-63	0	0	0	114.2	S309 E310	D307-S309 VanDerWaalsContact C-N 3.33Å; D307-S309 PolarHBondContact O-N 3.14Å; D307-E310 PolarHBondContact O-N 2.91Å
308	A	40.7	Very low	37.3	Very low	69 Å²	69	133.8 Å²	133.8	57%	0.57	68%	0.683	S	S	*	*	H	α-helix	trans	-61.5	-39.2	-179.6	0	0	0	0	0	112.9	E310 L311 E312	A308-E310 VanDerWaalsContact C-N 3.28Å; A308-E310 PolarHBondContact O-N 3.2Å; A308-L311 PolarHBondContact O-N 3.05Å; A308-E312 PolarHBondContact O-N 3.33Å
309	S	43.5	Very low	37.2	Very low	68 Å²	68	131.3 Å²	131.3	48%	0.476	68%	0.678	S	S	.	*	H	α-helix	trans	-72	-15.7	-173.8	71.7	0	0	0	0	115	K306 D307	K306-S309 PolarHBondContact O-OG 2.96Å; D307-S309 VanDerWaalsContact C-N 3.33Å; D307-S309 PolarHBondContact O-N 3.14Å
310	E	42.2	Very low	37.1	Very low	117 Å²	117	129 Å²	129	55%	0.547	67%	0.669	S	S	.	*	H	α-helix	trans	-86.6	-26.2	173.5	-149.9	-170.6	131.2	0	0	111.8	D307 A308 K314	D307-E310 PolarHBondContact O-N 2.91Å; A308-E310 VanDerWaalsContact C-N 3.28Å; A308-E310 PolarHBondContact O-N 3.2Å; E310-K314 WeakPolarHBondContact O-CG 3.48Å; E310-K314 PolarHBondContact O-N 3.14Å; E310-K314 VanDerWaalsContact O-N 3.12Å; E310-K314 WeakPolarHBondContact OE1-CE 3.32Å; E310-K314 IonicContact OE1-NZ 2.72Å; E310-K314 PolarHBondContact OE1-NZ 3.34Å
311	L	37.8	Very low	37.4	Very low	117 Å²	117	128.6 Å²	128.6	61%	0.613	67%	0.674	S	S	*	*	H	α-helix	trans	-71.1	-45.9	177.3	-136	80.2	0	0	0	111.5	A308 K313 K314 L315	A308-L311 PolarHBondContact O-N 3.05Å; L311-K313 VanDerWaalsContact C-N 3.29Å; L311-K313 PolarHBondContact O-N 2.9Å; L311-K314 PolarHBondContact O-N 2.86Å; L311-K314 VanDerWaalsContact O-N 3.13Å; L311-L315 WeakPolarHBondContact O-CG 3.41Å; L311-L315 PolarHBondContact O-N 2.86Å
312	E	42.9	Very low	37.5	Very low	128 Å²	128	129.4 Å²	129.4	60%	0.598	67%	0.674	S	S	*	*	H	α-helix	trans	-60.4	-37.3	176.9	-74	-174.9	120	0	0	112.8	A308 L315 H316	A308-E312 PolarHBondContact O-N 3.33Å; E312-L315 PolarHBondContact O-N 3.48Å; E312-H316 PolarHBondContact O-N 3.48Å; E312-H316 PolarHBondContact O-ND1 3.37Å
313	K	46.2	Very low	37.6	Very low	167 Å²	167	127 Å²	127	73%	0.726	66%	0.66	S	S	*	*	H	α-helix	trans	-77	-21	177.5	-71.5	-179.1	178.3	176.4	0	113.6	L311	L311-K313 VanDerWaalsContact C-N 3.29Å; L311-K313 PolarHBondContact O-N 2.9Å
314	K	43.1	Very low	37.8	Very low	120 Å²	120	123.9 Å²	123.9	52%	0.522	65%	0.648	S	S	.	*	H	α-helix	trans	-79.6	-38.8	167.2	-77.6	171.9	-179.2	167.3	0	111.7	E310 L311 R317	E310-K314 WeakPolarHBondContact O-CG 3.48Å; E310-K314 PolarHBondContact O-N 3.14Å; E310-K314 VanDerWaalsContact O-N 3.12Å; E310-K314 WeakPolarHBondContact OE1-CE 3.32Å; E310-K314 IonicContact OE1-NZ 2.72Å; E310-K314 PolarHBondContact OE1-NZ 3.34Å; L311-K314 PolarHBondContact O-N 2.86Å; L311-K314 VanDerWaalsContact O-N 3.13Å; K314-R317 PolarHBondContact O-N 3.38Å
315	L	38.6	Very low	38.1	Very low	108 Å²	108	125.5 Å²	125.5	57%	0.565	65%	0.649	S	S	*	*	H	α-helix	trans	-62.9	-42.9	175.7	-77.4	162.7	0	0	0	112.4	L311 E312 R317 I318	L311-L315 WeakPolarHBondContact O-CG 3.41Å; L311-L315 PolarHBondContact O-N 2.86Å; E312-L315 PolarHBondContact O-N 3.48Å; L315-R317 PolarHBondContact O-N 3Å; L315-I318 PolarHBondContact O-N 2.88Å
316	H	38.9	Very low	38.2	Very low	155 Å²	155	124.8 Å²	124.8	72%	0.718	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-8.4	175.5	-86.3	79.6	0	0	0	114.9	E312	E312-H316 PolarHBondContact O-N 3.48Å; E312-H316 PolarHBondContact O-ND1 3.37Å
317	R	36.5	Very low	38	Very low	225 Å²	225	120 Å²	120	85%	0.849	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-0.2	174.2	-145.1	177.9	-170.1	178.5	3.6	114.1	K314 L315	K314-R317 PolarHBondContact O-N 3.38Å; L315-R317 PolarHBondContact O-N 3Å
318	I	34.4	Very low	37.8	Very low	116 Å²	116	122.5 Å²	122.5	60%	0.595	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-12.7	174.7	-60.5	170.6	0	0	0	110.7	L315 T320	L315-I318 PolarHBondContact O-N 2.88Å; I318-T320 PolarHBondContact O-N 2.68Å
319	S	33.7	Very low	37.6	Very low	101 Å²	101	125.6 Å²	125.6	71%	0.706	65%	0.648	S	S	*	*			trans	-76.2	64	174.7	-175.6	0	0	0	0	113
320	T	34.5	Very low	36.9	Very low	79 Å²	79	133.3 Å²	133.3	49%	0.485	67%	0.666	S	S	.	*			trans	-125.2	136.5	163.9	52.9	0	0	0	0	110.1	I318 Q322 A323	I318-T320 PolarHBondContact O-N 2.68Å; T320-Q322 PolarHBondContact O-N 3.01Å; T320-A323 PolarHBondContact O-N 2.89Å; T320-A323 VanDerWaalsContact O-N 3.14Å
321	P	36.7	Very low	36.4	Very low	123 Å²	123	139.5 Å²	139.5	80%	0.799	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-17.4	-172.2	-27.4	35.9	0	0	0	115.7
322	Q	33.9	Very low	36.1	Very low	172 Å²	172	141.1 Å²	141.1	80%	0.804	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-7.5	-177.3	-66.2	170.9	-19.7	0	0	114	T320	T320-Q322 PolarHBondContact O-N 3.01Å
323	A	35.8	Very low	35.5	Very low	44 Å²	44	144 Å²	144	36%	0.364	70%	0.7	S	S	.	*	S	Bend	trans	-84	-23.8	-177.9	0	0	0	0	0	114	T320	T320-A323 PolarHBondContact O-N 2.89Å; T320-A323 VanDerWaalsContact O-N 3.14Å
324	I	35.6	Very low	34.9	Very low	125 Å²	125	144 Å²	144	64%	0.641	71%	0.707	S	S	*	*	S	Bend	trans	-78.9	-38.7	-172.1	-65.2	173.8	0	0	0	111.4	L326 A327	I324-L326 VanDerWaalsContact C-N 3.3Å; I324-L326 PolarHBondContact O-N 3.08Å; I324-A327 PolarHBondContact O-N 2.92Å
325	D	35.8	Very low	34.2	Very low	138 Å²	138	146.1 Å²	146.1	74%	0.738	71%	0.712	S	S	*	*	H	α-helix	trans	-67.2	-30.2	-177.6	-153.4	16.5	0	0	0	112.6
326	L	36.5	Very low	33.9	Very low	134 Å²	134	151.8 Å²	151.8	70%	0.702	73%	0.725	S	S	*	*	H	α-helix	trans	-81.7	-14.1	-177.7	-160.8	61.6	0	0	0	113.9	I324	I324-L326 VanDerWaalsContact C-N 3.3Å; I324-L326 PolarHBondContact O-N 3.08Å
327	A	33	Very low	33.7	Very low	74 Å²	74	149.5 Å²	149.5	61%	0.612	73%	0.727	S	S	*	*	H	α-helix	trans	-82.1	-34.1	-179.9	0	0	0	0	0	113	I324 L329	I324-A327 PolarHBondContact O-N 2.92Å; A327-L329 VanDerWaalsContact C-N 3.35Å; A327-L329 PolarHBondContact O-N 3.17Å
328	F	34	Very low	33.4	Very low	193 Å²	193	146.5 Å²	146.5	85%	0.846	72%	0.722	S	S	*	*	H	α-helix	trans	-76.9	-17.2	-176.9	-97.7	-94.8	0	0	0	114.3	R330	F328-R330 PolarHBondContact O-N 3.29Å
329	L	35.2	Very low	33.3	Very low	133 Å²	133	144.3 Å²	144.3	70%	0.696	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	9	-173.5	-151.6	65.8	0	0	0	114.9	A327	A327-L329 VanDerWaalsContact C-N 3.35Å; A327-L329 PolarHBondContact O-N 3.17Å
330	R	30	Very low	33.3	Very low	230 Å²	230	148.7 Å²	148.7	87%	0.868	74%	0.735	S	S	*	*			trans	-129.2	46.9	-172.6	-90.9	-173.1	171.4	-175.9	-0.6	116.7	F328	F328-R330 PolarHBondContact O-N 3.29Å
331	R	32.5	Very low	33.1	Very low	248 Å²	248	148.6 Å²	148.6	94%	0.936	75%	0.75	S	S	*	*			trans	-121.9	39	155	-145.3	172	-170.5	170	2	114.1
332	H	31.1	Very low	32.8	Very low	151 Å²	151	147.3 Å²	147.3	70%	0.699	74%	0.743	S	S	*	*			trans	-64.2	147	164.8	-108	-70.6	0	0	0	111.9
333	F	30.7	Very low	32.8	Very low	187 Å²	187	147.6 Å²	147.6	82%	0.82	75%	0.745	S	S	*	*				171.5	157	107.7	-99.2	-70.7	0	0	0	113.4
334	L	31.8	Very low	32.4	Very low	167 Å²	167	153.1 Å²	153.1	87%	0.874	77%	0.768	S	S	*	*			trans	62.8	104.7	173.3	-60.8	162.5	0	0	0	115.1
335	R	30.1	Very low	32.4	Very low	166 Å²	166	153 Å²	153	63%	0.626	78%	0.778	S	S	*	*				-143.5	129.4	55.8	-174	-178.1	-69.4	179.6	-4.6	111.9	S429	R335-S429 PolarHBondContact NH1-OG 3.08Å; R335-S429 PolarHBondContact NH2-OG 3.27Å
336	R	31.3	Very low	32.2	Very low	227 Å²	227	155.8 Å²	155.8	86%	0.857	78%	0.784	S	S	*	*			trans	-139.8	135.4	177.2	-161.1	-174.1	-155.1	173.1	7.5	109.3
337	S	35.3	Very low	32	Very low	107 Å²	107	156.9 Å²	156.9	75%	0.748	79%	0.791	S	S	*	*			trans	-161.4	92.7	171.5	51.3	0	0	0	0	106.2
338	E	28.9	Very low	31.9	Very low	161 Å²	161	159.5 Å²	159.5	75%	0.752	80%	0.799	S	S	*	*				72.8	133.7	68.6	-63.4	-148.8	177.6	0	0	114.2
339	G	33.8	Very low	31.5	Very low	70 Å²	70	156.4 Å²	156.4	72%	0.722	80%	0.799	S	S	*	*			trans	118.9	66.7	-166.2	0	0	0	0	0	111.1
340	K	32.1	Very low	31.2	Very low	193 Å²	193	153.7 Å²	153.7	84%	0.839	80%	0.804	S	S	*	*				69.8	124.7	64	-76.1	-169.7	174.9	177	0	115.1
341	G	31.6	Very low	31.2	Very low	78 Å²	78	146.3 Å²	146.3	80%	0.804	80%	0.8	S	S	*	*			trans	82.7	152.1	164.8	0	0	0	0	0	115.7
342	S	30.7	Very low	31	Very low	95 Å²	95	140.5 Å²	140.5	66%	0.664	80%	0.797	S	S	*	*			cis	-177.5	148.7	-27.1	-161.2	0	0	0	0	106.9
343	E	32.5	Very low	31	Very low	178 Å²	178	137.6 Å²	137.6	83%	0.832	80%	0.799	S	S	*	*			trans	62.9	150.5	157.5	-76.2	149.3	123.9	0	0	121.7
344	N	28.2	Very low	31.1	Very low	160 Å²	160	140.2 Å²	140.2	86%	0.856	80%	0.803	S	S	*	*			trans	-83.5	149.7	177.4	-64.4	-68	0	0	0	111.1
345	S	35.3	Very low	31	Very low	122 Å²	122	138.5 Å²	138.5	85%	0.853	79%	0.791	S	S	*	*				-164.4	134.7	123.1	-86.5	0	0	0	0	112
346	K	32.2	Very low	30.9	Very low	197 Å²	197	136.4 Å²	136.4	86%	0.857	80%	0.799	S	S	*	*			trans	-85.8	125	162.6	-59.8	173.1	-177.1	175.4	0	107.5
347	N	31.7	Very low	30.6	Very low	157 Å²	157	134.1 Å²	134.1	84%	0.84	79%	0.79	S	S	*	*			trans	173.1	155.3	147.8	-94.2	-22.3	0	0	0	112.3
348	V	30.3	Very low	30.5	Very low	130 Å²	130	135.4 Å²	135.4	79%	0.788	79%	0.788	S	S	*	*			trans	53.4	103.1	154.4	175.6	0	0	0	0	116.2
349	C	26.7	Very low	30.6	Very low	127 Å²	127	137.5 Å²	137.5	86%	0.858	79%	0.789	S	S	*	*				67.8	115.9	65.6	-168	0	0	0	0	115.2
350	G	28	Very low	30.4	Very low	76 Å²	76	141.5 Å²	141.5	78%	0.784	79%	0.789	S	S	*	*			trans	108.5	150.1	161.9	0	0	0	0	0	116.7
351	G	29.7	Very low	30.4	Very low	76 Å²	76	135.6 Å²	135.6	78%	0.784	78%	0.783	S	S	*	*			trans	75.2	107.3	176.1	0	0	0	0	0	113.9
352	S	28.9	Very low	30.6	Very low	125 Å²	125	137.7 Å²	137.7	87%	0.874	79%	0.785	S	S	*	*			cis	68.4	138.5	26.5	-156.5	0	0	0	0	115.3
353	A	31.2	Very low	30.6	Very low	91 Å²	91	139.6 Å²	139.6	75%	0.752	79%	0.793	S	S	*	*			trans	67	127.4	-164.9	0	0	0	0	0	114.3
354	R	33.4	Very low	30.6	Very low	241 Å²	241	138.8 Å²	138.8	91%	0.909	79%	0.793	S	S	*	*			cis	-130.4	130.3	5.9	-65.1	-177.7	176.2	-156.5	-3	112
355	Q	29.4	Very low	30.9	Very low	132 Å²	132	135.4 Å²	135.4	62%	0.617	78%	0.783	S	S	*	*			trans	-85.2	158.4	154.8	-73.3	-123.3	-77.3	0	0	109	R357	Q355-R357 HydrophobicContact CB-CB 4.38Å; Q355-R357 HydrophobicContact CB-CG 4.27Å
356	P	27.9	Very low	31.1	Very low	121 Å²	121	136.7 Å²	136.7	79%	0.786	78%	0.78	S	S	*	*				-101.8	146.2	82.2	-10.1	28.1	0	0	0	110.8
357	R	25.2	Very low	31.2	Very low	180 Å²	180	134.7 Å²	134.7	68%	0.679	78%	0.778	S	S	*	*			cis	50	84.4	30.5	-75.1	-124.9	162	79.9	1.7	112.4	Q355	Q355-R357 HydrophobicContact CB-CB 4.38Å; Q355-R357 HydrophobicContact CB-CG 4.27Å
358	L	33.2	Very low	31.5	Very low	134 Å²	134	134.3 Å²	134.3	70%	0.702	78%	0.775	S	S	*	*				76.3	130.4	93.7	-91.4	164.3	0	0	0	112.7
359	R	30.5	Very low	31.6	Very low	205 Å²	205	133.6 Å²	133.6	77%	0.774	78%	0.775	S	S	*	*			trans	67.3	167.3	161.9	-65.3	177.9	167.3	-166.8	-2.9	113.6
360	Q	29.1	Very low	31.7	Very low	153 Å²	153	132.8 Å²	132.8	72%	0.715	77%	0.771	S	S	*	*			cis	-150.4	124	0.5	-141.3	151.7	-21.1	0	0	111.5
361	G	33.4	Very low	31.7	Very low	69 Å²	69	132 Å²	132	71%	0.711	76%	0.757	S	S	*	*			trans	56.1	-170.8	157	0	0	0	0	0	119	T363	G361-T363 PolarHBondContact O-N 2.89Å
362	S	35.7	Very low	31.6	Very low	122 Å²	122	139.2 Å²	139.2	85%	0.853	76%	0.761	S	S	*	*			trans	31.4	74.3	151.7	59.3	0	0	0	0	119.2
363	T	30.9	Very low	31.5	Very low	135 Å²	135	141.2 Å²	141.2	83%	0.828	76%	0.756	S	S	*	*			trans	-120.8	124.6	134.4	21	0	0	0	0	109.8	G361	G361-T363 PolarHBondContact O-N 2.89Å
364	L	32.4	Very low	31.1	Very low	161 Å²	161	141.2 Å²	141.2	84%	0.843	75%	0.75	S	S	*	*			trans	-66.2	150.1	148.3	-84.3	169	0	0	0	108.2
365	S	34	Very low	30.8	Very low	90 Å²	90	133.5 Å²	133.5	63%	0.629	73%	0.734	S	S	*	*			trans	56.1	110.2	161.7	55.7	0	0	0	0	118.8
366	N	39.1	Very low	30.7	Very low	148 Å²	148	136.4 Å²	136.4	79%	0.791	75%	0.745	S	S	*	*				56.8	132.6	118.8	-49.4	-17.3	0	0	0	120
367	L	35.5	Very low	30.9	Very low	156 Å²	156	139 Å²	139	82%	0.817	74%	0.744	S	S	*	*				-170.3	146.4	97.7	-98.5	162.3	0	0	0	112.3
368	L	37	Very low	31.1	Very low	148 Å²	148	136.2 Å²	136.2	78%	0.775	75%	0.749	S	S	*	*			trans	59.8	70.1	165.3	-59.2	173.9	0	0	0	117.4
369	S	32.7	Very low	30.7	Very low	115 Å²	115	133.1 Å²	133.1	80%	0.804	74%	0.739	S	S	*	*	S	Bend		-72.2	129.6	105	-71.3	0	0	0	0	108.9	A371	S369-A371 VanDerWaalsContact C-N 3.35Å; S369-A371 PolarHBondContact O-N 2.85Å
370	S	29	Very low	30.6	Very low	110 Å²	110	130 Å²	130	77%	0.769	75%	0.748	S	S	*	*			trans	-76.1	93.8	157.6	-165.7	0	0	0	0	105.9
371	A	27.5	Very low	30.6	Very low	59 Å²	59	126.5 Å²	126.5	49%	0.488	74%	0.741	S	S	.	*				60.4	113	84.1	0	0	0	0	0	110.2	S369	S369-A371 VanDerWaalsContact C-N 3.35Å; S369-A371 PolarHBondContact O-N 2.85Å
372	R	28.4	Very low	30.3	Very low	229 Å²	229	128.3 Å²	128.3	86%	0.864	74%	0.742	S	S	*	*			cis	-114.5	150	34.7	-59.8	98.5	-175.7	-118	-0.5	111.4
373	H	25.9	Very low	29.7	Very low	166 Å²	166	127.7 Å²	127.7	77%	0.769	74%	0.737	S	S	*	*				47.3	93	69.2	-83.9	-91.9	0	0	0	110.3
374	S	23.5	Very low	29.5	Very low	91 Å²	91	126.6 Å²	126.6	64%	0.636	73%	0.73	S	S	*	*				96.7	173	91.2	68	0	0	0	0	110.4
375	S	25.6	Very low	29.2	Very low	80 Å²	80	125.5 Å²	125.5	56%	0.559	72%	0.723	S	S	*	*			trans	25.4	111.7	149.9	59	0	0	0	0	117.8
376	F	27.2	Very low	28.8	Very low	192 Å²	192	127.9 Å²	127.9	84%	0.842	73%	0.729	S	S	*	*				-176.1	128.1	95.2	-102.7	-72.8	0	0	0	112
377	F	32.7	Very low	28.2	Very low	176 Å²	176	124.8 Å²	124.8	77%	0.772	72%	0.719	S	S	*	*			trans	-59.5	146.6	146.3	-75.8	-103.8	0	0	0	108
378	P	29.9	Very low	28.1	Very low	122 Å²	122	122.9 Å²	122.9	79%	0.792	71%	0.714	S	S	*	*				-114.2	120.5	92.2	-9.6	28.4	0	0	0	110.7
379	S	25.3	Very low	27.8	Very low	69 Å²	69	122.7 Å²	122.7	48%	0.483	71%	0.714	S	S	.	*				72.9	75.4	66.9	-60.3	0	0	0	0	112.3	S381	S379-S381 PolarHBondContact O-N 2.8Å
380	S	28.7	Very low	27.9	Very low	138 Å²	138	124.1 Å²	124.1	97%	0.965	71%	0.711	S	S	*	*	S	Bend	trans	-71	72.4	156.2	-56.2	0	0	0	0	109.3
381	S	28.9	Very low	28.2	Very low	81 Å²	81	125.2 Å²	125.2	57%	0.566	71%	0.707	S	S	*	*			trans	-151.2	139.3	-175.2	63.8	0	0	0	0	112	S379	S379-S381 PolarHBondContact O-N 2.8Å
382	S	25.8	Very low	28.6	Very low	106 Å²	106	127.4 Å²	127.4	74%	0.741	72%	0.717	S	S	*	*			trans	66.8	116.5	170.6	-99.4	0	0	0	0	115.2
383	C	24	Very low	28.7	Very low	109 Å²	109	124.4 Å²	124.4	74%	0.736	71%	0.71	S	S	*	*				82	151.8	83.3	97	0	0	0	0	111.6
384	V	25.3	Very low	28.9	Very low	112 Å²	112	122.4 Å²	122.4	68%	0.679	71%	0.709	S	S	*	*			cis	-163.4	142.2	-5.1	99	0	0	0	0	107.5
385	I	26.3	Very low	29.2	Very low	138 Å²	138	122.1 Å²	122.1	71%	0.708	71%	0.707	S	S	*	*			trans	62.7	148.6	156.2	-66.1	169.2	0	0	0	118.6
386	D	26.5	Very low	29.3	Very low	140 Å²	140	127.3 Å²	127.3	75%	0.749	72%	0.723	S	S	*	*			trans	63.5	151.7	163.8	-76.4	-23.8	0	0	0	120.8
387	S	27.3	Very low	29.3	Very low	84 Å²	84	122.3 Å²	122.3	59%	0.587	71%	0.712	S	S	*	*			cis	179.4	161.6	-34.8	-103.7	0	0	0	0	108.7
388	T	32.1	Very low	29	Very low	116 Å²	116	121 Å²	121	71%	0.712	71%	0.708	S	S	*	*			trans	76.7	140.9	161.8	83.2	0	0	0	0	119.5
389	N	30.6	Very low	28.9	Very low	144 Å²	144	122.8 Å²	122.8	77%	0.77	71%	0.706	S	S	*	*			trans	68.2	130.6	136.5	-66.1	-9.1	0	0	0	118.9
390	I	35.7	Very low	29.1	Very low	144 Å²	144	125.8 Å²	125.8	74%	0.738	72%	0.722	S	S	*	*			cis	-148.9	128.2	13.3	-63.7	-167.6	0	0	0	107.7
391	L	35.2	Very low	29.2	Very low	133 Å²	133	124.9 Å²	124.9	70%	0.696	71%	0.712	S	S	*	*				52.7	151.8	98.1	-145.8	62.9	0	0	0	115.8	K393	L391-K393 HydrophobicContact CD1-CG 4.2Å
392	P	35.7	Very low	29.2	Very low	106 Å²	106	128.4 Å²	128.4	69%	0.688	73%	0.725	S	S	*	*			cis	-109.9	165.4	0.3	2.5	24.4	0	0	0	115.5
393	K	30.4	Very low	29.4	Very low	166 Å²	166	131.5 Å²	131.5	72%	0.722	73%	0.729	S	S	*	*				59	146.2	77	-50.3	-177.5	178.2	179.8	0	113.6	L391	L391-K393 HydrophobicContact CD1-CG 4.2Å
394	T	30.8	Very low	29.6	Very low	123 Å²	123	130.3 Å²	130.3	76%	0.755	72%	0.723	S	S	*	*			cis	-168.1	161.4	16.1	2.6	0	0	0	0	105.1
395	S	28.7	Very low	29.9	Very low	85 Å²	85	131.8 Å²	131.8	59%	0.594	73%	0.727	S	S	*	*			cis	159.4	142.2	-6.9	52.1	0	0	0	0	106.6
396	Q	27.9	Very low	30.3	Very low	189 Å²	189	133.4 Å²	133.4	88%	0.883	74%	0.735	S	S	*	*			trans	64.6	158.4	161.5	-67.7	174.4	11.9	0	0	116.4
397	S	26.6	Very low	30.5	Very low	87 Å²	87	133.4 Å²	133.4	61%	0.608	73%	0.734	S	S	*	*			cis	-160.6	166.6	-9.5	37.8	0	0	0	0	111.2
398	Q	26.8	Very low	30.6	Very low	149 Å²	149	136 Å²	136	70%	0.696	74%	0.741	S	S	*	*			trans	69.3	137.7	154.1	-83.3	166.7	-83.1	0	0	122.1
399	E	29.1	Very low	30.5	Very low	160 Å²	160	136.7 Å²	136.7	75%	0.748	75%	0.746	S	S	*	*			trans	72.6	123.8	138.1	-75.1	151.9	-149.9	0	0	123
400	T	28.3	Very low	30.7	Very low	132 Å²	132	135.4 Å²	135.4	81%	0.81	75%	0.745	S	S	*	*			trans	-61.3	152	160.2	51.9	0	0	0	0	111.6
401	P	31.9	Very low	30.3	Very low	119 Å²	119	135.3 Å²	135.3	77%	0.773	75%	0.746	S	S	*	*				-137.2	164.3	90.8	38.7	-28.4	0	0	0	115
402	D	27.9	Very low	30.1	Very low	154 Å²	154	134.5 Å²	134.5	82%	0.824	75%	0.749	S	S	*	*			trans	-78.4	143.4	163.4	-171.4	12.8	0	0	0	109.8
403	M	30.5	Very low	29.9	Very low	171 Å²	171	135.6 Å²	135.6	84%	0.842	75%	0.754	S	S	*	*			trans	-157.2	124.3	173.7	-97.8	-60.5	-172.2	0	0	110.7
404	S	28.9	Very low	29.7	Very low	85 Å²	85	139.2 Å²	139.2	59%	0.594	76%	0.763	S	S	*	*			trans	-83.5	-179.6	172.6	52.7	0	0	0	0	112.7
405	D	30.5	Very low	29.8	Very low	143 Å²	143	144.4 Å²	144.4	77%	0.765	77%	0.769	S	S	*	*			trans	72.1	67.4	156.1	-51.4	-49.8	0	0	0	119.5
406	I	34.8	Very low	29.9	Very low	172 Å²	172	145.4 Å²	145.4	88%	0.882	77%	0.773	S	S	*	*			trans	-124.5	87.1	141.7	-54.2	-176.5	0	0	0	111.2
407	L	30.2	Very low	30.3	Very low	139 Å²	139	141 Å²	141	73%	0.728	76%	0.762	S	S	*	*			trans	10.5	131.2	140	-64	163.9	0	0	0	119.8
408	N	30.3	Very low	30.8	Very low	138 Å²	138	143.6 Å²	143.6	74%	0.738	77%	0.767	S	S	*	*			trans	66	114.8	142.1	-57.9	-21.1	0	0	0	120.6
409	T	29.1	Very low	31	Very low	131 Å²	131	145.4 Å²	145.4	80%	0.804	77%	0.773	S	S	*	*			trans	15.6	145.6	140	56.2	0	0	0	0	121.4
410	P	35.6	Very low	31.6	Very low	118 Å²	118	141.4 Å²	141.4	77%	0.766	76%	0.759	S	S	*	*			cis	-141.4	174.3	16.1	41.2	-22.4	0	0	0	117.8
411	N	26.2	Very low	32	Very low	141 Å²	141	138.9 Å²	138.9	75%	0.754	74%	0.741	S	S	*	*			trans	60	92.8	144.8	-170.2	16.3	0	0	0	120.1	T413	N411-T413 PolarHBondContact O-N 2.86Å
412	P	31	Very low	32.7	Very low	117 Å²	117	138.5 Å²	138.5	76%	0.76	73%	0.731	S	S	*	*			trans	-79.3	103.4	168.6	32	-32.5	0	0	0	113.4
413	T	32.5	Very low	33.6	Very low	129 Å²	129	141.2 Å²	141.2	79%	0.791	73%	0.73	S	S	*	*			trans	50.6	105	142.6	14.5	0	0	0	0	119.7	N411 R415	N411-T413 PolarHBondContact O-N 2.86Å; T413-R415 PolarHBondContact O-N 2.83Å
414	R	27.1	Very low	34.3	Very low	241 Å²	241	138.9 Å²	138.9	91%	0.909	73%	0.726	S	S	*	*			trans	-44.3	123.9	161.6	-65.1	172.6	174.9	164.1	-3	112.1
415	R	31.2	Very low	35.1	Very low	232 Å²	232	139.3 Å²	139.3	88%	0.875	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-68.8	141.7	148.5	-67.8	-179.2	179.7	172.5	0.4	107.9	T413	T413-R415 PolarHBondContact O-N 2.83Å
416	P	32.2	Very low	35.5	Very low	106 Å²	106	137.5 Å²	137.5	69%	0.688	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-64.2	140.6	174.8	27.8	-33.9	0	0	0	109.6	I418	P416-I418 PolarHBondContact O-N 2.64Å
417	P	35.9	Very low	35.9	Very low	98 Å²	98	133.6 Å²	133.6	64%	0.636	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-61.6	124.8	166	27.6	-32.6	0	0	0	107.8	F419	P417-F419 VanDerWaalsContact C-N 3.3Å; P417-F419 HydrophobicContact CG-CD2 4.21Å; P417-F419 HydrophobicContact CG-CE2 3.82Å; P417-F419 PolarHBondContact O-N 2.72Å
418	I	36.3	Very low	37.1	Very low	141 Å²	141	129 Å²	129	72%	0.723	71%	0.711	S	S	*	*			trans	-70.9	94.9	172.3	-59.3	176.2	0	0	0	106.5	P416 V420	P416-I418 PolarHBondContact O-N 2.64Å; I418-V420 VanDerWaalsContact C-N 3.3Å; I418-V420 HydrophobicContact CG2-CG2 4.11Å; I418-V420 PolarHBondContact O-N 3.19Å
419	F	31.8	Very low	38.5	Very low	186 Å²	186	124.7 Å²	124.7	82%	0.816	69%	0.691	S	S	*	*			trans	-63.4	94.4	167.5	-81.2	-84.6	0	0	0	108.2	P417 D421	P417-F419 VanDerWaalsContact C-N 3.3Å; P417-F419 HydrophobicContact CG-CD2 4.21Å; P417-F419 HydrophobicContact CG-CE2 3.82Å; P417-F419 PolarHBondContact O-N 2.72Å; F419-D421 VanDerWaalsContact C-N 3.35Å; F419-D421 PolarHBondContact O-N 2.86Å
420	V	41.1	Very low	40.3	Very low	76 Å²	76	121.1 Å²	121.1	46%	0.461	67%	0.67	S	S	.	*			trans	-71.5	95.2	171.2	-179.3	0	0	0	0	107.2	I418 L422	I418-V420 VanDerWaalsContact C-N 3.3Å; I418-V420 HydrophobicContact CG2-CG2 4.11Å; I418-V420 PolarHBondContact O-N 3.19Å; V420-L422 PolarHBondContact O-N 3.1Å; V420-L422 VanDerWaalsContact O-N 3.08Å
421	D	37.8	Very low	42.1	Very low	79 Å²	79	119.9 Å²	119.9	42%	0.422	66%	0.66	S	S	.	*			trans	-66.5	108	174.7	-166	-16.5	0	0	0	109.4	F419 R423	F419-D421 VanDerWaalsContact C-N 3.35Å; F419-D421 PolarHBondContact O-N 2.86Å; D421-R423 PolarHBondContact O-N 2.86Å; D421-R423 WeakPolarHBondContact OD1-CB 3.39Å; D421-R423 WeakPolarHBondContact OD1-CG 3.31Å; D421-R423 IonicContact OD1-CZ 3.35Å; D421-R423 PolarHBondContact OD1-N 2.99Å; D421-R423 IonicContact OD1-NE 3.23Å; D421-R423 PolarHBondContact OD1-NE 3.46Å; D421-R423 IonicContact OD1-NH2 2.69Å; D421-R423 PolarHBondContact OD1-NH2 2.63Å; D421-R423 IonicContact OD2-CZ 3.58Å; D421-R423 IonicContact OD2-NE 2.67Å; D421-R423 PolarHBondContact OD2-NE 2.74Å; D421-R423 IonicContact OD2-NH2 3.04Å; D421-R423 PolarHBondContact OD2-NH2 2.62Å
422	L	46.1	Very low	44.3	Very low	111 Å²	111	117.8 Å²	117.8	58%	0.581	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-69	0.7	-174.5	-80.4	153.9	0	0	0	113.8	V420 T424 F425 P430	V420-L422 PolarHBondContact O-N 3.1Å; V420-L422 VanDerWaalsContact O-N 3.08Å; L422-T424 PolarHBondContact O-N 3.26Å; L422-F425 HydrophobicContact CD2-CD2 4.4Å; L422-F425 HydrophobicContact CD2-CE2 4.41Å; L422-P430 HydrophobicContact CD2-CB 4.18Å
423	R	45.9	Very low	46	Very low	211 Å²	211	113.5 Å²	113.5	80%	0.796	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-81.4	0.3	-174.8	-70.3	177.5	-73.3	-169.9	0.7	115.8	D421	D421-R423 PolarHBondContact O-N 2.86Å; D421-R423 WeakPolarHBondContact OD1-CB 3.39Å; D421-R423 WeakPolarHBondContact OD1-CG 3.31Å; D421-R423 IonicContact OD1-CZ 3.35Å; D421-R423 PolarHBondContact OD1-N 2.99Å; D421-R423 IonicContact OD1-NE 3.23Å; D421-R423 PolarHBondContact OD1-NE 3.46Å; D421-R423 IonicContact OD1-NH2 2.69Å; D421-R423 PolarHBondContact OD1-NH2 2.63Å; D421-R423 IonicContact OD2-CZ 3.58Å; D421-R423 IonicContact OD2-NE 2.67Å; D421-R423 PolarHBondContact OD2-NE 2.74Å; D421-R423 IonicContact OD2-NH2 3.04Å; D421-R423 PolarHBondContact OD2-NH2 2.62Å
424	T	46.7	Very low	47.9	Very low	122 Å²	122	112.4 Å²	112.4	75%	0.748	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-98.8	-1.5	179.9	-32.5	0	0	0	0	114.3	L422 A426	L422-T424 PolarHBondContact O-N 3.26Å; T424-A426 PolarHBondContact O-N 3.3Å; T424-A426 VanDerWaalsContact O-N 3.09Å
425	F	43.9	Very low	50.4	Low	94 Å²	94	106.6 Å²	106.6	41%	0.412	60%	0.597	S	S	.	*			trans	-84.4	82.8	-178.1	-72	-76.2	0	0	0	113.2	L422 G427 A433	L422-F425 HydrophobicContact CD2-CD2 4.4Å; L422-F425 HydrophobicContact CD2-CE2 4.41Å; F425-G427 PolarHBondContact O-N 3.43Å; F425-A433 HydrophobicContact CD1-CB 4.47Å; F425-A433 HydrophobicContact CE1-CB 3.76Å; F425-A433 HydrophobicContact CZ-CB 3.96Å
426	A	40.8	Very low	52.4	Low	105 Å²	105	101.9 Å²	101.9	87%	0.868	59%	0.585	S	S	*	*	S	Bend	trans	-68.3	107.9	163.7	0	0	0	0	0	110.3	T424 G428	T424-A426 PolarHBondContact O-N 3.3Å; T424-A426 VanDerWaalsContact O-N 3.09Å; A426-G428 PolarHBondContact O-N 3.43Å
427	G	42.7	Very low	54.3	Low	91 Å²	91	104.4 Å²	104.4	94%	0.938	58%	0.581	S	S	*	*	S	Bend	trans	86.2	-9.5	166.4	0	0	0	0	0	118.2	F425	F425-G427 PolarHBondContact O-N 3.43Å
428	G	54.4	Low	56.5	Low	42 Å²	42	105 Å²	105	43%	0.433	58%	0.578	S	S	.	*			trans	-98.7	142.4	-179.3	0	0	0	0	0	114.2	A426	A426-G428 PolarHBondContact O-N 3.43Å
429	S	59.8	Low	58.7	Low	48 Å²	48	101.8 Å²	101.8	34%	0.336	56%	0.562	S	S	.	*			trans	-75.7	127.3	174.2	-155.9	0	0	0	0	111.1	R335 V431 V432 A433	R335-S429 PolarHBondContact NH1-OG 3.08Å; R335-S429 PolarHBondContact NH2-OG 3.27Å; S429-V431 PolarHBondContact O-N 3.19Å; S429-V432 PolarHBondContact O-N 2.95Å; S429-A433 PolarHBondContact O-N 3.01Å
430	P	68.3	Low	60.9	Low	55 Å²	55	95.6 Å²	95.6	36%	0.357	55%	0.546	S	S	.	.	H	α-helix	trans	-58.1	-23.5	-175.8	-29.5	36.1	0	0	0	115.6	L422 L434	L422-P430 HydrophobicContact CD2-CB 4.18Å; P430-L434 WeakPolarHBondContact O-CB 3.22Å; P430-L434 PolarHBondContact O-N 3.42Å
431	V	72.2	Confident	63	Low	93 Å²	93	96.8 Å²	96.8	56%	0.564	55%	0.546	S	S	*	.	H	α-helix	trans	-72.1	-35.2	177.1	171	0	0	0	0	111.7	S429 L434 K435	S429-V431 PolarHBondContact O-N 3.19Å; V431-L434 PolarHBondContact O-N 3.06Å; V431-K435 PolarHBondContact O-N 3.29Å
432	V	71.9	Confident	65.1	Low	96 Å²	96	95.9 Å²	95.9	58%	0.582	55%	0.55	S	S	*	.	H	α-helix	trans	-69.2	-47.6	175.9	-179.6	0	0	0	0	109.5	S429 L434 K435 E436	S429-V432 PolarHBondContact O-N 2.95Å; V432-L434 VanDerWaalsContact C-N 3.28Å; V432-L434 PolarHBondContact O-N 3.32Å; V432-K435 PolarHBondContact O-N 2.82Å; V432-K435 VanDerWaalsContact O-N 3.17Å; V432-E436 WeakPolarHBondContact O-CB 3.41Å; V432-E436 PolarHBondContact O-N 3.43Å
433	A	67.6	Low	66.8	Low	27 Å²	27	95.2 Å²	95.2	22%	0.223	55%	0.546	C	S	.	.	H	α-helix	trans	-62.1	-32.3	175.9	0	0	0	0	0	113.1	F425 S429 R437	F425-A433 HydrophobicContact CD1-CB 4.47Å; F425-A433 HydrophobicContact CE1-CB 3.76Å; F425-A433 HydrophobicContact CZ-CB 3.96Å; S429-A433 PolarHBondContact O-N 3.01Å; A433-R437 VanDerWaalsContact O-CB 3.22Å; A433-R437 WeakPolarHBondContact O-CB 3.38Å; A433-R437 PolarHBondContact O-N 2.9Å
434	L	72.7	Confident	68.5	Low	107 Å²	107	87.3 Å²	87.3	56%	0.56	53%	0.525	S	S	*	.	H	α-helix	trans	-70.5	-46.1	171.4	-99.1	167.4	0	0	0	112.2	P430 V431 V432 R437 L438	P430-L434 WeakPolarHBondContact O-CB 3.22Å; P430-L434 PolarHBondContact O-N 3.42Å; V431-L434 PolarHBondContact O-N 3.06Å; V432-L434 VanDerWaalsContact C-N 3.28Å; V432-L434 PolarHBondContact O-N 3.32Å; L434-R437 PolarHBondContact O-N 2.98Å; L434-L438 WeakPolarHBondContact O-CB 3.41Å; L434-L438 WeakPolarHBondContact O-CG 3.43Å; L434-L438 PolarHBondContact O-N 3.02Å
435	K	78.6	Confident	70.2	Confident	118 Å²	118	85.4 Å²	85.4	51%	0.513	51%	0.511	S	S	.	.	H	α-helix	trans	-64.6	-46.8	179.2	-168.7	-176.1	-174.8	-53.5	0	111.5	V431 V432 R437 L438 D439	V431-K435 PolarHBondContact O-N 3.29Å; V432-K435 PolarHBondContact O-N 2.82Å; V432-K435 VanDerWaalsContact O-N 3.17Å; K435-R437 PolarHBondContact O-N 3.03Å; K435-L438 CarbonylContact O-C 3.6Å; K435-L438 PolarHBondContact O-N 3.21Å; K435-L438 VanDerWaalsContact O-N 3.07Å; K435-D439 IonicContact NZ-OD1 2.59Å; K435-D439 PolarHBondContact NZ-OD1 3.39Å; K435-D439 IonicContact NZ-OD2 3.65Å; K435-D439 PolarHBondContact NZ-OD2 3.34Å; K435-D439 WeakPolarHBondContact O-CB 3.14Å; K435-D439 VanDerWaalsContact O-CG 3.23Å; K435-D439 PolarHBondContact O-N 2.88Å
436	E	73.5	Confident	72	Confident	134 Å²	134	83.9 Å²	83.9	63%	0.626	52%	0.515	S	S	*	.	H	α-helix	trans	-57.7	-36.8	177.2	-174.4	176.3	-156.3	0	0	111.7	V432 A440	V432-E436 WeakPolarHBondContact O-CB 3.41Å; V432-E436 PolarHBondContact O-N 3.43Å; E436-A440 VanDerWaalsContact O-CB 3.22Å; E436-A440 WeakPolarHBondContact O-CB 3.44Å; E436-A440 PolarHBondContact O-N 2.9Å
437	R	73	Confident	74.2	Confident	158 Å²	158	85 Å²	85	60%	0.596	50%	0.501	S	S	*	.	H	α-helix	trans	-75.3	-31.7	176.2	-162.4	172.6	-166.5	131.6	1.5	113.5	A433 L434 K435 Q441	A433-R437 VanDerWaalsContact O-CB 3.22Å; A433-R437 WeakPolarHBondContact O-CB 3.38Å; A433-R437 PolarHBondContact O-N 2.9Å; L434-R437 PolarHBondContact O-N 2.98Å; K435-R437 PolarHBondContact O-N 3.03Å; R437-Q441 WeakPolarHBondContact O-CB 3.48Å; R437-Q441 PolarHBondContact O-N 3.25Å
438	L	81.4	Confident	76.1	Confident	112 Å²	112	83.3 Å²	83.3	59%	0.586	48%	0.478	S	S	*	.	H	α-helix	trans	-71.4	-44.6	171.8	-75.7	165.8	0	0	0	111.4	L434 K435 A440 Q441 A442	L434-L438 WeakPolarHBondContact O-CB 3.41Å; L434-L438 WeakPolarHBondContact O-CG 3.43Å; L434-L438 PolarHBondContact O-N 3.02Å; K435-L438 CarbonylContact O-C 3.6Å; K435-L438 PolarHBondContact O-N 3.21Å; K435-L438 VanDerWaalsContact O-N 3.07Å; L438-A440 VanDerWaalsContact C-N 3.32Å; L438-A440 PolarHBondContact O-N 3.24Å; L438-Q441 PolarHBondContact O-N 3.13Å; L438-Q441 VanDerWaalsContact O-N 3.16Å; L438-A442 WeakPolarHBondContact O-CB 3.27Å; L438-A442 PolarHBondContact O-N 3.44Å
439	D	82.8	Confident	77.5	Confident	72 Å²	72	84.8 Å²	84.8	39%	0.385	48%	0.482	S	S	.	.	H	α-helix	trans	-59.3	-44.1	173.9	-66.1	-20.8	0	0	0	110.2	K435 Q441 A442 I443	K435-D439 IonicContact NZ-OD1 2.59Å; K435-D439 PolarHBondContact NZ-OD1 3.39Å; K435-D439 IonicContact NZ-OD2 3.65Å; K435-D439 PolarHBondContact NZ-OD2 3.34Å; K435-D439 WeakPolarHBondContact O-CB 3.14Å; K435-D439 VanDerWaalsContact O-CG 3.23Å; K435-D439 PolarHBondContact O-N 2.88Å; D439-Q441 PolarHBondContact O-N 3.13Å; D439-A442 PolarHBondContact O-N 3.12Å; D439-I443 WeakPolarHBondContact O-CB 3.39Å; D439-I443 WeakPolarHBondContact O-CD1 3.38Å; D439-I443 VanDerWaalsContact O-CG1 3.22Å; D439-I443 WeakPolarHBondContact O-CG1 3.46Å; D439-I443 PolarHBondContact O-N 3.46Å
440	A	78.7	Confident	78.5	Confident	57 Å²	57	85.1 Å²	85.1	47%	0.471	49%	0.487	S	S	.	.	H	α-helix	trans	-64	-37.7	174.8	0	0	0	0	0	113.2	E436 L438 A444	E436-A440 VanDerWaalsContact O-CB 3.22Å; E436-A440 WeakPolarHBondContact O-CB 3.44Å; E436-A440 PolarHBondContact O-N 2.9Å; L438-A440 VanDerWaalsContact C-N 3.32Å; L438-A440 PolarHBondContact O-N 3.24Å; A440-A444 PolarHBondContact O-N 3.14Å
441	Q	84	Confident	79.2	Confident	101 Å²	101	90.1 Å²	90.1	47%	0.472	50%	0.504	S	S	.	.	H	α-helix	trans	-67.8	-45.7	175.4	-176.7	60.3	46.4	0	0	111.2	R437 L438 D439 I443 A444 D445	R437-Q441 WeakPolarHBondContact O-CB 3.48Å; R437-Q441 PolarHBondContact O-N 3.25Å; L438-Q441 PolarHBondContact O-N 3.13Å; L438-Q441 VanDerWaalsContact O-N 3.16Å; D439-Q441 PolarHBondContact O-N 3.13Å; Q441-I443 VanDerWaalsContact C-N 3.3Å; Q441-I443 PolarHBondContact O-N 3.37Å; Q441-A444 CarbonylContact O-C 3.59Å; Q441-A444 WeakPolarHBondContact O-CA 3.28Å; Q441-A444 WeakPolarHBondContact O-CB 3.43Å; Q441-A444 PolarHBondContact O-N 3.22Å; Q441-D445 PolarHBondContact NE2-OD1 3.01Å; Q441-D445 PolarHBondContact NE2-OD2 2.85Å; Q441-D445 PolarHBondContact O-N 3.43Å
442	A	81.2	Confident	79.7	Confident	60 Å²	60	88.7 Å²	88.7	50%	0.496	50%	0.502	S	S	.	.	H	α-helix	trans	-59.2	-40.5	174.7	0	0	0	0	0	111.9	L438 D439 A444 D445 A446	L438-A442 WeakPolarHBondContact O-CB 3.27Å; L438-A442 PolarHBondContact O-N 3.44Å; D439-A442 PolarHBondContact O-N 3.12Å; A442-A444 VanDerWaalsContact C-N 3.3Å; A442-A444 PolarHBondContact O-N 3.48Å; A442-D445 PolarHBondContact O-N 2.88Å; A442-A446 VanDerWaalsContact O-CB 3.23Å; A442-A446 WeakPolarHBondContact O-CB 3.39Å; A442-A446 PolarHBondContact O-N 3.19Å
443	I	82.9	Confident	80.1	Confident	96 Å²	96	90.9 Å²	90.9	49%	0.492	51%	0.505	S	S	.	.	H	α-helix	trans	-64.7	-32.8	173.1	-70.9	165.1	0	0	0	111.9	D439 Q441 K447	D439-I443 WeakPolarHBondContact O-CB 3.39Å; D439-I443 WeakPolarHBondContact O-CD1 3.38Å; D439-I443 VanDerWaalsContact O-CG1 3.22Å; D439-I443 WeakPolarHBondContact O-CG1 3.46Å; D439-I443 PolarHBondContact O-N 3.46Å; Q441-I443 VanDerWaalsContact C-N 3.3Å; Q441-I443 PolarHBondContact O-N 3.37Å; I443-K447 HydrophobicContact CG2-CD 4.34Å; I443-K447 WeakPolarHBondContact O-CB 3.49Å; I443-K447 WeakPolarHBondContact O-CD 3.35Å; I443-K447 WeakPolarHBondContact O-CG 3.37Å; I443-K447 PolarHBondContact O-N 3.4Å
444	A	81.2	Confident	80.8	Confident	45 Å²	45	92.4 Å²	92.4	37%	0.372	52%	0.518	S	S	.	.	H	α-helix	trans	-72.5	-44.8	175.6	0	0	0	0	0	112	A440 Q441 A442 K447 A448	A440-A444 PolarHBondContact O-N 3.14Å; Q441-A444 CarbonylContact O-C 3.59Å; Q441-A444 WeakPolarHBondContact O-CA 3.28Å; Q441-A444 WeakPolarHBondContact O-CB 3.43Å; Q441-A444 PolarHBondContact O-N 3.22Å; A442-A444 VanDerWaalsContact C-N 3.3Å; A442-A444 PolarHBondContact O-N 3.48Å; A444-K447 WeakPolarHBondContact O-CB 3.36Å; A444-K447 PolarHBondContact O-N 2.92Å; A444-A448 WeakPolarHBondContact O-CB 3.4Å; A444-A448 PolarHBondContact O-N 2.93Å
445	D	82.5	Confident	81.3	Confident	82 Å²	82	90 Å²	90	44%	0.439	51%	0.514	S	S	.	.	H	α-helix	trans	-72	-34.1	-179	-66.1	-34.7	0	0	0	112.2	Q441 A442 A448 S449	Q441-D445 PolarHBondContact NE2-OD1 3.01Å; Q441-D445 PolarHBondContact NE2-OD2 2.85Å; Q441-D445 PolarHBondContact O-N 3.43Å; A442-D445 PolarHBondContact O-N 2.88Å; D445-A448 PolarHBondContact O-N 3.49Å; D445-S449 WeakPolarHBondContact O-CB 3.45Å; D445-S449 PolarHBondContact O-N 3.41Å; D445-S449 PolarHBondContact O-OG 2.91Å
446	A	82	Confident	81.5	Confident	62 Å²	62	87.3 Å²	87.3	51%	0.512	51%	0.513	S	S	.	.	H	α-helix	trans	-62.9	-41.9	169.5	0	0	0	0	0	111.9	A442 S449 A450	A442-A446 VanDerWaalsContact O-CB 3.23Å; A442-A446 WeakPolarHBondContact O-CB 3.39Å; A442-A446 PolarHBondContact O-N 3.19Å; A446-S449 PolarHBondContact O-N 3.06Å; A446-A450 WeakPolarHBondContact O-CB 3.28Å; A446-A450 PolarHBondContact O-N 2.87Å
447	K	86.2	Confident	82.1	Confident	129 Å²	129	85.9 Å²	85.9	56%	0.561	51%	0.514	S	S	*	.	H	α-helix	trans	-64.5	-44	173.2	-75.7	168.7	-176.2	172.2	0	111.8	I443 A444 S449 A450 F451	I443-K447 HydrophobicContact CG2-CD 4.34Å; I443-K447 WeakPolarHBondContact O-CB 3.49Å; I443-K447 WeakPolarHBondContact O-CD 3.35Å; I443-K447 WeakPolarHBondContact O-CG 3.37Å; I443-K447 PolarHBondContact O-N 3.4Å; A444-K447 WeakPolarHBondContact O-CB 3.36Å; A444-K447 PolarHBondContact O-N 2.92Å; K447-S449 VanDerWaalsContact C-N 3.32Å; K447-S449 PolarHBondContact O-N 3.13Å; K447-A450 PolarHBondContact O-N 3.14Å; K447-F451 VanDerWaalsContact O-CD2 3.28Å; K447-F451 WeakPolarHBondContact O-CD2 3.33Å; K447-F451 PolarHBondContact O-N 2.87Å
448	A	84.1	Confident	82.5	Confident	56 Å²	56	83.6 Å²	83.6	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-61.2	-41.8	177.9	0	0	0	0	0	111.5	A444 D445 F451 A452	A444-A448 WeakPolarHBondContact O-CB 3.4Å; A444-A448 PolarHBondContact O-N 2.93Å; D445-A448 PolarHBondContact O-N 3.49Å; A448-F451 PolarHBondContact O-N 2.81Å; A448-A452 WeakPolarHBondContact O-CB 3.48Å; A448-A452 PolarHBondContact O-N 3.04Å
449	S	82.8	Confident	82.4	Confident	73 Å²	73	80.7 Å²	80.7	51%	0.51	51%	0.505	S	S	.	.	H	α-helix	trans	-63.4	-45.9	175.8	-56.9	0	0	0	0	112	D445 A446 K447 F451 A452 E453	D445-S449 WeakPolarHBondContact O-CB 3.45Å; D445-S449 PolarHBondContact O-N 3.41Å; D445-S449 PolarHBondContact O-OG 2.91Å; A446-S449 PolarHBondContact O-N 3.06Å; K447-S449 VanDerWaalsContact C-N 3.32Å; K447-S449 PolarHBondContact O-N 3.13Å; S449-F451 VanDerWaalsContact C-N 3.34Å; S449-F451 PolarHBondContact O-N 3.46Å; S449-A452 WeakPolarHBondContact O-CB 3.15Å; S449-A452 PolarHBondContact O-N 3.25Å; S449-A452 VanDerWaalsContact O-N 3.1Å; S449-E453 PolarHBondContact O-N 2.85Å
450	A	81.8	Confident	82.3	Confident	54 Å²	54	80 Å²	80	45%	0.446	51%	0.508	S	S	.	.	H	α-helix	trans	-63.2	-36.4	175.8	0	0	0	0	0	113	A446 K447 A454	A446-A450 WeakPolarHBondContact O-CB 3.28Å; A446-A450 PolarHBondContact O-N 2.87Å; K447-A450 PolarHBondContact O-N 3.14Å; A450-A454 WeakPolarHBondContact O-CB 3.29Å; A450-A454 PolarHBondContact O-N 3.24Å
451	F	83.4	Confident	82.3	Confident	161 Å²	161	79.9 Å²	79.9	71%	0.706	51%	0.508	S	S	*	.	H	α-helix	trans	-67.4	-36	171.6	-87.2	-66.3	0	0	0	112.5	K447 A448 S449 A455	K447-F451 VanDerWaalsContact O-CD2 3.28Å; K447-F451 WeakPolarHBondContact O-CD2 3.33Å; K447-F451 PolarHBondContact O-N 2.87Å; A448-F451 PolarHBondContact O-N 2.81Å; S449-F451 VanDerWaalsContact C-N 3.34Å; S449-F451 PolarHBondContact O-N 3.46Å; F451-A455 WeakPolarHBondContact O-CB 3.17Å; F451-A455 PolarHBondContact O-N 3.14Å
452	A	82.4	Confident	82.1	Confident	63 Å²	63	82 Å²	82	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-67.4	-43.7	176.1	0	0	0	0	0	112.1	A448 S449 A455 A456	A448-A452 WeakPolarHBondContact O-CB 3.48Å; A448-A452 PolarHBondContact O-N 3.04Å; S449-A452 WeakPolarHBondContact O-CB 3.15Å; S449-A452 PolarHBondContact O-N 3.25Å; S449-A452 VanDerWaalsContact O-N 3.1Å; A452-A455 PolarHBondContact O-N 3.01Å; A452-A456 WeakPolarHBondContact O-CB 3.21Å; A452-A456 PolarHBondContact O-N 3.36Å
453	E	78.8	Confident	81.6	Confident	142 Å²	142	85.8 Å²	85.8	66%	0.664	52%	0.523	S	S	*	.	H	α-helix	trans	-60.7	-47.4	172	-73.3	-164.8	131.9	0	0	111.7	S449 A455 A456 V457	S449-E453 PolarHBondContact O-N 2.85Å; E453-A455 VanDerWaalsContact C-N 3.29Å; E453-A455 PolarHBondContact O-N 3.5Å; E453-A456 PolarHBondContact O-N 3.39Å; E453-A456 VanDerWaalsContact O-N 3.14Å; E453-V457 WeakPolarHBondContact O-CG2 3.41Å; E453-V457 PolarHBondContact O-N 3.07Å
454	A	83.3	Confident	80.8	Confident	58 Å²	58	86.7 Å²	86.7	48%	0.479	53%	0.533	S	S	.	.	H	α-helix	trans	-59.8	-39.6	178.1	0	0	0	0	0	112.1	A450 L458	A450-A454 WeakPolarHBondContact O-CB 3.29Å; A450-A454 PolarHBondContact O-N 3.24Å; A454-L458 WeakPolarHBondContact O-CB 3.21Å; A454-L458 PolarHBondContact O-N 3.29Å
455	A	84	Confident	79.7	Confident	58 Å²	58	89.3 Å²	89.3	48%	0.479	55%	0.548	S	S	.	.	H	α-helix	trans	-67.1	-40.8	174.6	0	0	0	0	0	112.5	F451 A452 E453 L458 A459	F451-A455 WeakPolarHBondContact O-CB 3.17Å; F451-A455 PolarHBondContact O-N 3.14Å; A452-A455 PolarHBondContact O-N 3.01Å; E453-A455 VanDerWaalsContact C-N 3.29Å; E453-A455 PolarHBondContact O-N 3.5Å; A455-L458 PolarHBondContact O-N 3.42Å; A455-A459 WeakPolarHBondContact O-CB 3.5Å; A455-A459 PolarHBondContact O-N 3.08Å
456	A	82.3	Confident	78.5	Confident	61 Å²	61	89.9 Å²	89.9	50%	0.504	56%	0.559	S	S	.	*	H	α-helix	trans	-64.8	-43.4	176.4	0	0	0	0	0	112	A452 E453 L458 A459 A460	A452-A456 WeakPolarHBondContact O-CB 3.21Å; A452-A456 PolarHBondContact O-N 3.36Å; E453-A456 PolarHBondContact O-N 3.39Å; E453-A456 VanDerWaalsContact O-N 3.14Å; A456-L458 PolarHBondContact O-N 2.97Å; A456-A459 PolarHBondContact O-N 2.84Å; A456-A460 WeakPolarHBondContact O-CB 3.5Å; A456-A460 PolarHBondContact O-N 3.31Å
457	V	84.7	Confident	76.9	Confident	104 Å²	104	97.7 Å²	97.7	63%	0.63	58%	0.575	S	S	*	*	H	α-helix	trans	-63	-40.7	174.1	172.6	0	0	0	0	111.1	E453 A460 A461	E453-V457 WeakPolarHBondContact O-CG2 3.41Å; E453-V457 PolarHBondContact O-N 3.07Å; V457-A460 PolarHBondContact O-N 3.16Å; V457-A461 WeakPolarHBondContact O-CB 3.39Å; V457-A461 PolarHBondContact O-N 2.83Å
458	L	83	Confident	74.7	Confident	110 Å²	110	96.3 Å²	96.3	58%	0.576	58%	0.581	S	S	*	*	H	α-helix	trans	-65.5	-37.5	175.5	-160.4	85.9	0	0	0	112.2	A454 A455 A456 K462	A454-L458 WeakPolarHBondContact O-CB 3.21Å; A454-L458 PolarHBondContact O-N 3.29Å; A455-L458 PolarHBondContact O-N 3.42Å; A456-L458 PolarHBondContact O-N 2.97Å; L458-K462 WeakPolarHBondContact O-CG 3.46Å; L458-K462 PolarHBondContact O-N 3.46Å
459	A	79.4	Confident	72.6	Confident	51 Å²	51	101.8 Å²	101.8	42%	0.421	60%	0.602	S	S	.	*	H	α-helix	trans	-67.7	-43	175.5	0	0	0	0	0	111.9	A455 A456 K462 Q463	A455-A459 WeakPolarHBondContact O-CB 3.5Å; A455-A459 PolarHBondContact O-N 3.08Å; A456-A459 PolarHBondContact O-N 2.84Å; A459-K462 PolarHBondContact O-N 3.47Å; A459-Q463 PolarHBondContact O-N 2.83Å
460	A	80.8	Confident	70.2	Confident	56 Å²	56	103 Å²	103	46%	0.463	62%	0.617	S	S	.	*	H	α-helix	trans	-62.2	-45	173.9	0	0	0	0	0	111.6	A456 V457 K462 Q463 V464	A456-A460 WeakPolarHBondContact O-CB 3.5Å; A456-A460 PolarHBondContact O-N 3.31Å; V457-A460 PolarHBondContact O-N 3.16Å; A460-K462 VanDerWaalsContact C-N 3.31Å; A460-K462 PolarHBondContact O-N 3.07Å; A460-Q463 PolarHBondContact O-N 2.98Å; A460-Q463 VanDerWaalsContact O-N 3.1Å; A460-V464 WeakPolarHBondContact O-CG2 3.45Å; A460-V464 PolarHBondContact O-N 3.26Å
461	A	78.2	Confident	68	Low	56 Å²	56	106.1 Å²	106.1	46%	0.463	63%	0.632	S	S	.	*	H	α-helix	trans	-59.8	-39.1	175.1	0	0	0	0	0	112.3	V457 V464 S465	V457-A461 WeakPolarHBondContact O-CB 3.39Å; V457-A461 PolarHBondContact O-N 2.83Å; A461-V464 PolarHBondContact O-N 3.43Å; A461-S465 WeakPolarHBondContact O-CB 3.12Å; A461-S465 PolarHBondContact O-N 3.02Å
462	K	79	Confident	65.7	Low	145 Å²	145	107 Å²	107	63%	0.63	64%	0.644	S	S	*	*	H	α-helix	trans	-63	-41.8	172.2	-79.8	-176.9	175.9	-175.7	0	112.7	L458 A459 A460 S465 S466	L458-K462 WeakPolarHBondContact O-CG 3.46Å; L458-K462 PolarHBondContact O-N 3.46Å; A459-K462 PolarHBondContact O-N 3.47Å; A460-K462 VanDerWaalsContact C-N 3.31Å; A460-K462 PolarHBondContact O-N 3.07Å; K462-S465 PolarHBondContact O-N 3.28Å; K462-S466 WeakPolarHBondContact O-CB 3.19Å; K462-S466 PolarHBondContact O-N 2.84Å; K462-S466 PolarHBondContact O-OG 3.13Å
463	Q	71.7	Confident	63.3	Low	140 Å²	140	112.9 Å²	112.9	65%	0.654	66%	0.66	S	S	*	*	H	α-helix	trans	-68.5	-33.7	177.2	-70.8	-161.6	28.1	0	0	113.4	A459 A460 S466	A459-Q463 PolarHBondContact O-N 2.83Å; A460-Q463 PolarHBondContact O-N 2.98Å; A460-Q463 VanDerWaalsContact O-N 3.1Å; Q463-S466 PolarHBondContact O-OG 2.92Å
464	V	65.8	Low	61.1	Low	114 Å²	114	111.5 Å²	111.5	69%	0.691	66%	0.664	S	S	*	*	H	α-helix	trans	-67.9	-43.5	171.6	176	0	0	0	0	110.2	A460 A461 S466 R467	A460-V464 WeakPolarHBondContact O-CG2 3.45Å; A460-V464 PolarHBondContact O-N 3.26Å; A461-V464 PolarHBondContact O-N 3.43Å; V464-S466 VanDerWaalsContact C-N 3.34Å; V464-S466 PolarHBondContact O-N 3.12Å; V464-R467 PolarHBondContact O-N 3.3Å
465	S	57.4	Low	58.6	Low	100 Å²	100	114.7 Å²	114.7	70%	0.699	68%	0.677	S	S	*	*	H	α-helix	trans	-71.1	-21.5	-179.2	-168.8	0	0	0	0	114.6	A461 K462	A461-S465 WeakPolarHBondContact O-CB 3.12Å; A461-S465 PolarHBondContact O-N 3.02Å; K462-S465 PolarHBondContact O-N 3.28Å
466	S	57.5	Low	56.3	Low	94 Å²	94	117.7 Å²	117.7	66%	0.657	69%	0.69	S	S	*	*	H	α-helix	trans	-90.8	-8	178.1	64.6	0	0	0	0	114.1	K462 Q463 V464	K462-S466 WeakPolarHBondContact O-CB 3.19Å; K462-S466 PolarHBondContact O-N 2.84Å; K462-S466 PolarHBondContact O-OG 3.13Å; Q463-S466 PolarHBondContact O-OG 2.92Å; V464-S466 VanDerWaalsContact C-N 3.34Å; V464-S466 PolarHBondContact O-N 3.12Å
467	R	48.7	Very low	54	Low	226 Å²	226	121.5 Å²	121.5	85%	0.853	70%	0.702	S	S	*	*	S	Bend	trans	-95.1	10.2	-176	-135	172.5	-170.5	169.9	3	114.8	V464	V464-R467 PolarHBondContact O-N 3.3Å
468	S	40.7	Very low	51.6	Low	100 Å²	100	123.4 Å²	123.4	70%	0.699	71%	0.708	S	S	*	*	S	Bend	trans	-137.2	53.9	-175.2	-178.3	0	0	0	0	112.7
469	L	38.2	Very low	49.2	Very low	172 Å²	172	124.1 Å²	124.1	90%	0.901	72%	0.718	S	S	*	*			trans	-162.4	83.6	167	-110	165.9	0	0	0	111.2
470	A	33.3	Very low	47.1	Very low	98 Å²	98	126.1 Å²	126.1	81%	0.81	73%	0.728	S	S	*	*			trans	-146.6	146.4	167.2	0	0	0	0	0	109.4
471	P	35.6	Very low	45	Very low	120 Å²	120	132.3 Å²	132.3	78%	0.779	75%	0.745	S	S	*	*			trans	-112.9	158.9	-138.9	39	-32.8	0	0	0	116.1
472	L	34	Very low	42.9	Very low	180 Å²	180	136.6 Å²	136.6	94%	0.942	76%	0.76	S	S	*	*			trans	-113.9	123.3	162.2	-70.6	172.6	0	0	0	109.5
473	Q	32.8	Very low	40.8	Very low	185 Å²	185	135.2 Å²	135.2	86%	0.864	76%	0.764	S	S	*	*			trans	-106.7	143	170.9	-76.8	-171.7	-23.4	0	0	110.9
474	P	33	Very low	39	Very low	114 Å²	114	136.1 Å²	136.1	74%	0.74	77%	0.768	S	S	*	*			trans	-97.3	121.8	160.1	33.7	-26.8	0	0	0	111.8
475	T	30.3	Very low	37.5	Very low	125 Å²	125	138 Å²	138	77%	0.767	77%	0.769	S	S	*	*			trans	31	120.3	143.4	58	0	0	0	0	120.6
476	T	36	Very low	36.3	Very low	121 Å²	121	139.3 Å²	139.3	74%	0.742	77%	0.768	S	S	*	*				-168	129.6	101.8	41.2	0	0	0	0	113.3
477	N	33.1	Very low	35.3	Very low	141 Å²	141	140.2 Å²	140.2	75%	0.754	77%	0.769	S	S	*	*			trans	62.6	136.2	138.8	-57.3	-5.3	0	0	0	123.2
478	N	34.7	Very low	34.5	Very low	143 Å²	143	138.8 Å²	138.8	77%	0.765	77%	0.769	S	S	*	*			trans	86.8	88.8	148.3	-61.9	-8.6	0	0	0	121.9
479	T	34.1	Very low	34.6	Very low	126 Å²	126	139 Å²	139	77%	0.773	77%	0.768	S	S	*	*				89.5	124.8	112.6	-58.9	0	0	0	0	121.6
480	S	34.4	Very low	34.6	Very low	93 Å²	93	137.6 Å²	137.6	65%	0.65	77%	0.767	S	S	*	*			trans	91.8	94.8	152.7	-75.8	0	0	0	0	123
481	K	36.8	Very low	34.8	Very low	185 Å²	185	140.2 Å²	140.2	80%	0.804	76%	0.764	S	S	*	*				55.4	102	115.3	-62.6	171.2	-178	-178.9	0	121
482	N	34.4	Very low	34.6	Very low	147 Å²	147	138.8 Å²	138.8	79%	0.786	76%	0.756	S	S	*	*				176.1	140.9	112.7	-90.2	-35.6	0	0	0	108.7
483	V	34.2	Very low	34.8	Very low	116 Å²	116	135.8 Å²	135.8	70%	0.703	75%	0.748	S	S	*	*				64.5	126.8	66	-177.5	0	0	0	0	110.6
484	E	35	Very low	34.8	Very low	158 Å²	158	135.6 Å²	135.6	74%	0.738	74%	0.744	S	S	*	*			cis	-118.1	161.9	12.1	-110.9	132.1	132.1	0	0	112
485	Q	34	Very low	34.9	Very low	155 Å²	155	136.2 Å²	136.2	72%	0.724	75%	0.746	S	S	*	*				58.9	144.7	71	-114	-163.6	106.6	0	0	113.6
486	L	31.5	Very low	35.2	Very low	127 Å²	127	134.4 Å²	134.4	67%	0.665	74%	0.738	S	S	*	*			cis	-160.9	147.1	2.2	-171.4	71.7	0	0	0	106.3
487	T	35.9	Very low	35.1	Very low	113 Å²	113	139.1 Å²	139.1	69%	0.693	74%	0.743	S	S	*	*				160.5	98.7	91	-51.1	0	0	0	0	108.8
488	K	33.7	Very low	35	Very low	195 Å²	195	138.2 Å²	138.2	85%	0.848	74%	0.742	S	S	*	*				82.2	149.4	106.3	-92.5	-170.3	174.3	-176.7	0	119.9
489	P	41.4	Very low	35.4	Very low	104 Å²	104	136 Å²	136	68%	0.675	74%	0.736	S	S	*	*			trans	-129.2	-174.3	-172.4	46.1	-31.2	0	0	0	115.6
490	T	39.1	Very low	35.4	Very low	144 Å²	144	137.2 Å²	137.2	88%	0.883	74%	0.737	S	S	*	*			trans	-153.9	148.9	165.9	-62.3	0	0	0	0	109.8
491	M	36.5	Very low	35.5	Very low	152 Å²	152	138.1 Å²	138.1	75%	0.749	74%	0.744	S	S	*	*				-163.3	168.4	-52.4	-109.9	-80.4	85.8	0	0	109.7
492	C	31.6	Very low	35.6	Very low	90 Å²	90	134.1 Å²	134.1	61%	0.608	74%	0.739	S	S	*	*			trans	-90.7	176.6	-179.7	-51.5	0	0	0	0	112.9	F494	C492-F494 HydrophobicContact CB-CD2 4.45Å
493	P	37.8	Very low	35.8	Very low	118 Å²	118	132.5 Å²	132.5	77%	0.766	74%	0.739	S	S	*	*				-127.9	156.4	91	7.1	16	0	0	0	113.2
494	F	33	Very low	35.9	Very low	181 Å²	181	132.7 Å²	132.7	79%	0.794	75%	0.746	S	S	*	*				64.9	147.3	55.5	-71.1	-66.7	0	0	0	113.8	C492	C492-F494 HydrophobicContact CB-CD2 4.45Å
495	T	35.7	Very low	36.1	Very low	126 Å²	126	129 Å²	129	77%	0.773	75%	0.75	S	S	*	*			cis	-157.6	166.3	2.6	2.6	0	0	0	0	106.8
496	S	36.5	Very low	36.1	Very low	87 Å²	87	129.3 Å²	129.3	61%	0.608	76%	0.757	S	S	*	*			cis	-155	-165.7	-3.6	53.1	0	0	0	0	106.5
497	R	34.2	Very low	36.2	Very low	221 Å²	221	128 Å²	128	83%	0.834	76%	0.758	S	S	*	*			cis	-159.3	178.8	11.1	-154.4	173.4	-76.5	-150.9	-3.6	110.2
498	T	31.5	Very low	36.2	Very low	121 Å²	121	128 Å²	128	74%	0.742	76%	0.763	S	S	*	*			trans	-134.5	-153.4	175.7	53.3	0	0	0	0	107.8
499	P	42.4	Very low	36.2	Very low	97 Å²	97	123.7 Å²	123.7	63%	0.63	76%	0.757	S	S	*	*			cis	-146	169.4	-9.1	36.7	-14.2	0	0	0	119.6
500	N	33.6	Very low	35.9	Very low	151 Å²	151	125.6 Å²	125.6	81%	0.807	77%	0.766	S	S	*	*			trans	75.7	150.8	135.1	-72.9	0.5	0	0	0	127
501	S	37.3	Very low	35.5	Very low	112 Å²	112	127.1 Å²	127.1	78%	0.783	76%	0.763	S	S	*	*			trans	94.6	142	147.8	74.4	0	0	0	0	119.8
502	S	38.2	Very low	35.1	Very low	102 Å²	102	126.7 Å²	126.7	71%	0.713	77%	0.77	S	S	*	*			cis	-169.9	160.8	-24.9	48.4	0	0	0	0	112
503	S	38.5	Very low	35.2	Very low	113 Å²	113	127.4 Å²	127.4	79%	0.79	78%	0.775	S	S	*	*			trans	66.6	159.7	163.7	76.2	0	0	0	0	118.3
504	S	37.2	Very low	34.8	Very low	120 Å²	120	129.3 Å²	129.3	84%	0.839	78%	0.779	S	S	*	*			cis	-169	138.7	-36	52.8	0	0	0	0	109
505	G	38.6	Very low	35	Very low	79 Å²	79	129 Å²	129	81%	0.814	79%	0.785	S	S	*	*			trans	-174.7	109.2	179.9	0	0	0	0	0	116
506	N	33.5	Very low	34.8	Very low	163 Å²	163	128.2 Å²	128.2	87%	0.872	79%	0.785	S	S	*	*			trans	-68.8	161.1	170.3	-60	-17.2	0	0	0	110.9
507	S	34.4	Very low	35	Very low	98 Å²	98	129.7 Å²	129.7	69%	0.685	79%	0.792	S	S	*	*			cis	-178.1	162.8	-11.4	47.7	0	0	0	0	109.2
508	S	35.5	Very low	35.1	Very low	115 Å²	115	124.8 Å²	124.8	80%	0.804	79%	0.789	S	S	*	*			trans	69.4	144	171.7	75.4	0	0	0	0	116.6
509	S	33.2	Very low	35.3	Very low	103 Å²	103	126.8 Å²	126.8	72%	0.72	79%	0.793	S	S	*	*			cis	-162.7	164.8	-11	43.2	0	0	0	0	112.2
510	V	34.9	Very low	35.3	Very low	145 Å²	145	126.1 Å²	126.1	88%	0.879	79%	0.789	S	S	*	*			trans	77	141.5	175.7	-167	0	0	0	0	114.3
511	E	30.6	Very low	35.5	Very low	175 Å²	175	124.9 Å²	124.9	82%	0.818	79%	0.79	S	S	*	*			trans	-103	146.9	-153.1	-63.1	169.1	113.7	0	0	114.6
512	T	28.5	Very low	35.3	Very low	144 Å²	144	125.9 Å²	125.9	88%	0.883	79%	0.791	S	S	*	*			trans	-126.2	119.9	160.5	53.2	0	0	0	0	108.7
513	S	33.5	Very low	35.1	Very low	104 Å²	104	130.8 Å²	130.8	73%	0.727	79%	0.793	S	S	*	*			trans	-158.3	127.9	173.1	40.2	0	0	0	0	112.1
514	D	30.1	Very low	34.9	Very low	158 Å²	158	133.3 Å²	133.3	85%	0.845	80%	0.795	S	S	*	*			trans	-58.1	156.5	162.9	-58.2	-89.1	0	0	0	111.9
515	L	36.5	Very low	35	Very low	174 Å²	174	133.8 Å²	133.8	91%	0.911	78%	0.784	S	S	*	*			trans	-167.7	130.3	140.4	-106.6	165.1	0	0	0	110.5
516	S	32	Very low	34.7	Very low	111 Å²	111	135.2 Å²	135.2	78%	0.776	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-72.1	136.7	-177.1	-50.9	0	0	0	0	112.6
517	P	40.9	Very low	34.6	Very low	117 Å²	117	135.9 Å²	135.9	76%	0.76	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-75.2	144	174.5	30.8	-34.4	0	0	0	111.9
518	P	35.6	Very low	34.4	Very low	118 Å²	118	142 Å²	142	77%	0.766	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-76.6	160.7	-175.4	31.1	-36.3	0	0	0	114	P520	P518-P520 WeakPolarHBondContact O-CD 3.46Å
519	I	36.9	Very low	34.1	Very low	163 Å²	163	147.4 Å²	147.4	84%	0.836	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-78.1	122.2	176.2	-60.6	170	0	0	0	109.8
520	P	42.3	Very low	33.8	Very low	83 Å²	83	146.7 Å²	146.7	54%	0.539	79%	0.79	S	S	.	*	P	Polyproline II helix	trans	-79	149.3	170.7	32.8	-33.8	0	0	0	111.5	P518	P518-P520 WeakPolarHBondContact O-CD 3.46Å
521	P	37.4	Very low	33.5	Very low	126 Å²	126	147.1 Å²	147.1	82%	0.818	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-74.2	145.8	-174.3	29.7	-35.6	0	0	0	113.7
522	V	33.5	Very low	33.3	Very low	133 Å²	133	146.2 Å²	146.2	81%	0.806	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-65.9	139.4	175.8	177.8	0	0	0	0	110.9	M524	V522-M524 HydrophobicContact CG1-CG 4.09Å
523	R	34.2	Very low	33.3	Very low	204 Å²	204	145 Å²	145	77%	0.77	76%	0.762	S	S	*	*			trans	-129.2	78.7	177.4	-172	179.5	176	86.3	1	110.8	H525	R523-H525 WeakPolarHBondContact CG-NE2 3.48Å; R523-H525 PolarHBondContact NE-NE2 3.24Å; R523-H525 VanDerWaalsContact NE-NE2 3.12Å
524	M	33.3	Very low	32.9	Very low	166 Å²	166	145.8 Å²	145.8	82%	0.818	75%	0.752	S	S	*	*			trans	-65.4	135.2	173.2	-69.2	-155.2	-65	0	0	111.3	V522	V522-M524 HydrophobicContact CG1-CG 4.09Å
525	H	38.5	Very low	32.8	Very low	131 Å²	131	144.4 Å²	144.4	61%	0.606	75%	0.745	S	S	*	*			trans	-132.5	103.8	167.3	-79.2	-67	0	0	0	111.7	R523	R523-H525 WeakPolarHBondContact CG-NE2 3.48Å; R523-H525 PolarHBondContact NE-NE2 3.24Å; R523-H525 VanDerWaalsContact NE-NE2 3.12Å
526	S	33.4	Very low	32.4	Very low	108 Å²	108	140.7 Å²	140.7	76%	0.755	73%	0.733	S	S	*	*			trans	40.7	96.3	146.9	-59.4	0	0	0	0	119.3	R528	S526-R528 PolarHBondContact O-N 2.97Å
527	L	30.3	Very low	32.2	Very low	178 Å²	178	146.1 Å²	146.1	93%	0.932	74%	0.737	S	S	*	*			trans	-58.9	117.9	144.5	-74.7	163	0	0	0	110.4
528	R	30.9	Very low	31.5	Very low	225 Å²	225	147.6 Å²	147.6	85%	0.849	74%	0.738	S	S	*	*			trans	-120.3	121.3	148.2	-89.5	-176.6	165.5	-179.8	-6.2	105.7	S526	S526-R528 PolarHBondContact O-N 2.97Å
529	R	29.6	Very low	31	Very low	229 Å²	229	152.2 Å²	152.2	86%	0.864	75%	0.747	S	S	*	*				58.3	132.4	78.6	-73.6	-169.7	-175.4	-127.2	-0.2	112.4
530	S	25.9	Very low	30.7	Very low	89 Å²	89	149.8 Å²	149.8	62%	0.622	74%	0.744	S	S	*	*			cis	163.1	152.3	-17	41.8	0	0	0	0	106.1
531	H	29.1	Very low	30.4	Very low	153 Å²	153	150.4 Å²	150.4	71%	0.708	75%	0.748	S	S	*	*			trans	67.1	114.6	-175.1	-78.9	-102	0	0	0	112.6
532	E	27.2	Very low	30	Very low	157 Å²	157	152.9 Å²	152.9	73%	0.734	75%	0.748	S	S	*	*				79	123.4	77.4	-80.2	-175.6	175.5	0	0	112.6
533	Q	27.2	Very low	29.7	Very low	118 Å²	118	154.1 Å²	154.1	55%	0.551	75%	0.75	S	S	*	*				175.4	137.3	115.7	-98.2	-172.9	-7.2	0	0	111.5	I569	Q533-I569 VanDerWaalsContact OE1-CG2 3.3Å
534	F	26.3	Very low	29.4	Very low	120 Å²	120	149.1 Å²	149.1	53%	0.526	75%	0.746	S	S	.	*			trans	60.6	143.8	158.7	-71	-119.5	0	0	0	116.7	I565 V566 I569	F534-I565 HydrophobicContact CZ-CG2 4.24Å; F534-V566 HydrophobicContact CE1-CG2 3.93Å; F534-I569 HydrophobicContact CD2-CD1 4.38Å; F534-I569 HydrophobicContact CE2-CD1 3.42Å; F534-I569 VanDerWaalsContact CE2-CD1 3.42Å; F534-I569 HydrophobicContact CZ-CD1 3.55Å
535	N	26.9	Very low	29.2	Very low	129 Å²	129	147.5 Å²	147.5	69%	0.69	75%	0.746	S	S	*	*			cis	-157.2	152.8	32.1	-138.4	-33.7	0	0	0	113.6
536	S	29.9	Very low	28.9	Very low	96 Å²	96	147.2 Å²	147.2	67%	0.671	76%	0.759	S	S	*	*			trans	23.6	117.6	152.2	35.4	0	0	0	0	121.8
537	R	26.6	Very low	29	Very low	226 Å²	226	147.7 Å²	147.7	85%	0.853	76%	0.762	S	S	*	*			trans	-61.1	150.1	133.2	-60.3	176.3	175.8	162.5	-2.5	108.1
538	N	26.1	Very low	29.3	Very low	148 Å²	148	144.3 Å²	144.3	79%	0.791	75%	0.751	S	S	*	*			cis	-137.7	143.5	18	-60.6	-87.3	0	0	0	111.4
539	F	26.3	Very low	29.5	Very low	215 Å²	215	139.8 Å²	139.8	94%	0.943	75%	0.747	S	S	*	*			trans	-100.4	111.8	159.2	-107.2	-85.1	0	0	0	109
540	S	30.4	Very low	29.8	Very low	111 Å²	111	134.6 Å²	134.6	78%	0.776	74%	0.744	S	S	*	*			trans	167.9	162.2	159.3	-87	0	0	0	0	111.5
541	P	36.1	Very low	30.2	Very low	96 Å²	96	139.8 Å²	139.8	62%	0.623	76%	0.758	S	S	*	*			cis	-112.6	-149.9	-20.2	36.2	-19.3	0	0	0	109.6
542	H	28.7	Very low	30.5	Very low	178 Å²	178	135.8 Å²	135.8	82%	0.824	76%	0.758	S	S	*	*				-151.7	135.8	60.5	-84.2	-85.6	0	0	0	112.7
543	L	27.6	Very low	30.8	Very low	159 Å²	159	134.8 Å²	134.8	83%	0.832	76%	0.757	S	S	*	*			trans	-99.2	136.2	154.8	-93.3	147.7	0	0	0	109
544	S	27.4	Very low	31.1	Very low	99 Å²	99	137.4 Å²	137.4	69%	0.692	77%	0.767	S	S	*	*			trans	25.5	93.4	153.8	-52.2	0	0	0	0	120.7
545	T	28.7	Very low	31.5	Very low	133 Å²	133	137.9 Å²	137.9	82%	0.816	78%	0.775	S	S	*	*				36.6	111	124.9	57.3	0	0	0	0	121.3
546	S	32.5	Very low	31.7	Very low	125 Å²	125	139.6 Å²	139.6	87%	0.874	78%	0.779	S	S	*	*			trans	-163.5	153.9	133.3	60.4	0	0	0	0	113.7
547	S	35.2	Very low	32	Very low	118 Å²	118	141.9 Å²	141.9	83%	0.825	78%	0.783	S	S	*	*			trans	-60.7	167	-172.8	-87.3	0	0	0	0	118.7
548	P	36.1	Very low	32.8	Very low	107 Å²	107	137.3 Å²	137.3	70%	0.695	78%	0.775	S	S	*	*			trans	-137.4	-162.7	-136.4	30.9	-5.2	0	0	0	117.2
549	V	36.2	Very low	33.6	Very low	129 Å²	129	138.6 Å²	138.6	78%	0.782	77%	0.774	S	S	*	*			trans	84.3	144.3	157.1	-166.4	0	0	0	0	117.3
550	P	36.7	Very low	34.6	Very low	121 Å²	121	134.7 Å²	134.7	79%	0.786	76%	0.763	S	S	*	*			cis	-126.7	-177	-21.9	35.3	-17	0	0	0	116.4
551	E	33.4	Very low	35.5	Very low	197 Å²	197	137.1 Å²	137.1	92%	0.921	76%	0.762	S	S	*	*			trans	-93.9	175.9	-170.8	-49.1	162.4	132.9	0	0	116.9
552	G	34.8	Very low	36.2	Very low	69 Å²	69	138.3 Å²	138.3	71%	0.711	76%	0.763	S	S	*	*			trans	164.9	141.9	141.6	0	0	0	0	0	114.6
553	L	33.1	Very low	37.6	Very low	136 Å²	136	138 Å²	138	71%	0.712	76%	0.755	S	S	*	*			cis	-166.8	151.1	-6.9	-119.2	178.3	0	0	0	111
554	F	34.7	Very low	39.1	Very low	174 Å²	174	137.9 Å²	137.9	76%	0.763	75%	0.75	S	S	*	*			trans	65.3	141.7	169.3	-51	-57.1	0	0	0	117.8
555	N	34.7	Very low	40.6	Very low	130 Å²	130	137 Å²	137	70%	0.695	74%	0.736	S	S	*	*			cis	-152.5	165.8	-6.8	-100.4	13.6	0	0	0	107.4
556	E	30.8	Very low	42.4	Very low	165 Å²	165	134.1 Å²	134.1	77%	0.771	72%	0.719	S	S	*	*			cis	97.4	145.2	12.2	-158.2	141.1	-101	0	0	117.4
557	L	35.3	Very low	44	Very low	144 Å²	144	133.9 Å²	133.9	75%	0.754	70%	0.704	S	S	*	*			trans	69	138.6	-154	-84.6	71	0	0	0	114.3
558	D	43.2	Very low	45.4	Very low	130 Å²	130	131.1 Å²	131.1	70%	0.695	68%	0.684	S	S	*	*			cis	-123.9	163.1	-0.9	-79.8	-56.7	0	0	0	111.7
559	K	43.4	Very low	46.8	Very low	174 Å²	174	127.5 Å²	127.5	76%	0.757	66%	0.659	S	S	*	*			trans	-141.5	3.2	-176	-91.9	-177.4	179.8	168.7	0	116.9
560	D	47	Very low	48	Very low	134 Å²	134	126 Å²	126	72%	0.717	64%	0.643	S	S	*	*	S	Bend	trans	-94.1	-21.2	-169.3	-68.2	-52.4	0	0	0	115.1	D562 R563	D560-D562 VanDerWaalsContact C-N 3.32Å; D560-D562 PolarHBondContact O-N 2.87Å; D560-R563 PolarHBondContact O-N 3.5Å
561	E	50.7	Low	49.4	Very low	161 Å²	161	123 Å²	123	75%	0.752	63%	0.629	S	S	*	*	H	α-helix	trans	-62.7	-35.2	179.5	-63.5	-166.5	150.9	0	0	113	R563 E564 I565	E561-R563 PolarHBondContact O-N 3.39Å; E561-R563 VanDerWaalsContact O-N 3.13Å; E561-E564 PolarHBondContact O-N 3Å; E561-I565 WeakPolarHBondContact O-CG1 3.46Å; E561-I565 PolarHBondContact O-N 3.17Å
562	D	51.2	Low	50.9	Low	121 Å²	121	118.7 Å²	118.7	65%	0.647	62%	0.615	S	S	*	*	H	α-helix	trans	-60	-25.4	-179.9	-78.6	-33.2	0	0	0	113.2	D560 V566	D560-D562 VanDerWaalsContact C-N 3.32Å; D560-D562 PolarHBondContact O-N 2.87Å; D562-V566 VanDerWaalsContact O-CG2 3.29Å; D562-V566 WeakPolarHBondContact O-CG2 3.3Å; D562-V566 PolarHBondContact O-N 2.97Å
563	R	56.2	Low	51.9	Low	172 Å²	172	120.9 Å²	120.9	65%	0.649	61%	0.608	S	S	*	*	H	α-helix	trans	-81.7	-42.8	-177.3	-178.6	173.8	-80.7	-94.3	1.9	112.7	D560 E561 I565 V566 E567	D560-R563 PolarHBondContact O-N 3.5Å; E561-R563 PolarHBondContact O-N 3.39Å; E561-R563 VanDerWaalsContact O-N 3.13Å; R563-I565 VanDerWaalsContact C-N 3.3Å; R563-I565 PolarHBondContact O-N 2.78Å; R563-V566 PolarHBondContact O-N 3.41Å; R563-E567 IonicContact NH1-OE1 2.78Å; R563-E567 PolarHBondContact O-N 3.41Å
564	E	59.9	Low	53.3	Low	157 Å²	157	120.9 Å²	120.9	73%	0.734	60%	0.603	S	S	*	*	H	α-helix	trans	-67.2	-34.7	178.2	-171.6	170.5	-174.2	0	0	111.3	E561 S568	E561-E564 PolarHBondContact O-N 3Å; E564-S568 WeakPolarHBondContact O-CB 3.39Å; E564-S568 PolarHBondContact O-N 3.36Å; E564-S568 PolarHBondContact O-OG 2.84Å
565	I	59.8	Low	54.2	Low	80 Å²	80	116.2 Å²	116.2	41%	0.41	60%	0.596	S	S	.	*	H	α-helix	trans	-64.3	-41.5	173.6	-65.4	169.9	0	0	0	111.2	F534 E561 R563 S568 I569	F534-I565 HydrophobicContact CZ-CG2 4.24Å; E561-I565 WeakPolarHBondContact O-CG1 3.46Å; E561-I565 PolarHBondContact O-N 3.17Å; R563-I565 VanDerWaalsContact C-N 3.3Å; R563-I565 PolarHBondContact O-N 2.78Å; I565-S568 PolarHBondContact O-OG 2.95Å; I565-S568 VanDerWaalsContact O-OG 3.11Å; I565-I569 HydrophobicContact CG2-CD1 3.78Å; I565-I569 WeakPolarHBondContact O-CB 3.35Å; I565-I569 WeakPolarHBondContact O-CD1 3.48Å; I565-I569 VanDerWaalsContact O-CG1 3.22Å; I565-I569 WeakPolarHBondContact O-CG1 3.47Å; I565-I569 PolarHBondContact O-N 3.08Å
566	V	65	Low	54.7	Low	73 Å²	73	114 Å²	114	44%	0.442	60%	0.596	S	S	.	*	H	α-helix	trans	-70.1	-44.7	178.9	168.6	0	0	0	0	112.3	F534 D562 R563 S568 I569 E570	F534-V566 HydrophobicContact CE1-CG2 3.93Å; D562-V566 VanDerWaalsContact O-CG2 3.29Å; D562-V566 WeakPolarHBondContact O-CG2 3.3Å; D562-V566 PolarHBondContact O-N 2.97Å; R563-V566 PolarHBondContact O-N 3.41Å; V566-S568 PolarHBondContact O-N 3.38Å; V566-I569 PolarHBondContact O-N 3.17Å; V566-E570 PolarHBondContact O-N 2.85Å
567	E	66.2	Low	55.3	Low	120 Å²	120	110.8 Å²	110.8	56%	0.561	59%	0.592	S	S	*	*	H	α-helix	trans	-66.8	-35.9	179.1	-72.5	-176.6	-173	0	0	112.2	R563 A571	R563-E567 IonicContact NH1-OE1 2.78Å; R563-E567 PolarHBondContact O-N 3.41Å; E567-A571 WeakPolarHBondContact O-CB 3.48Å; E567-A571 PolarHBondContact O-N 3.14Å
568	S	65.8	Low	55.4	Low	60 Å²	60	113.9 Å²	113.9	42%	0.42	60%	0.595	S	S	.	*	H	α-helix	trans	-70.9	-35	174.6	57.2	0	0	0	0	113.3	E564 I565 V566 A571 V572	E564-S568 WeakPolarHBondContact O-CB 3.39Å; E564-S568 PolarHBondContact O-N 3.36Å; E564-S568 PolarHBondContact O-OG 2.84Å; I565-S568 PolarHBondContact O-OG 2.95Å; I565-S568 VanDerWaalsContact O-OG 3.11Å; V566-S568 PolarHBondContact O-N 3.38Å; S568-A571 PolarHBondContact O-N 2.94Å; S568-V572 WeakPolarHBondContact O-CG2 3.38Å; S568-V572 PolarHBondContact O-N 3.04Å
569	I	64.8	Low	55	Low	30 Å²	30	113.8 Å²	113.8	15%	0.154	60%	0.595	C	S	.	*	H	α-helix	trans	-66.8	-43.4	171.8	-73.1	167.4	0	0	0	111.4	Q533 F534 I565 V566 A571 V572 M573	Q533-I569 VanDerWaalsContact OE1-CG2 3.3Å; F534-I569 HydrophobicContact CD2-CD1 4.38Å; F534-I569 HydrophobicContact CE2-CD1 3.42Å; F534-I569 VanDerWaalsContact CE2-CD1 3.42Å; F534-I569 HydrophobicContact CZ-CD1 3.55Å; I565-I569 HydrophobicContact CG2-CD1 3.78Å; I565-I569 WeakPolarHBondContact O-CB 3.35Å; I565-I569 WeakPolarHBondContact O-CD1 3.48Å; I565-I569 VanDerWaalsContact O-CG1 3.22Å; I565-I569 WeakPolarHBondContact O-CG1 3.47Å; I565-I569 PolarHBondContact O-N 3.08Å; V566-I569 PolarHBondContact O-N 3.17Å; I569-A571 VanDerWaalsContact C-N 3.33Å; I569-A571 PolarHBondContact O-N 3.29Å; I569-V572 PolarHBondContact O-N 3.46Å; I569-M573 HydrophobicContact CG2-CE 4.47Å; I569-M573 PolarHBondContact O-N 2.59Å
570	E	61.8	Low	54.7	Low	99 Å²	99	111.4 Å²	111.4	46%	0.463	60%	0.6	S	S	.	*	H	α-helix	trans	-61.8	-43.3	175.3	-160.6	-164.8	138	0	0	110.6	V566 V572 M573 K574	V566-E570 PolarHBondContact O-N 2.85Å; E570-V572 VanDerWaalsContact C-N 3.34Å; E570-V572 PolarHBondContact O-N 2.89Å; E570-M573 PolarHBondContact O-N 2.89Å; E570-K574 WeakPolarHBondContact O-CB 3.43Å; E570-K574 PolarHBondContact O-N 2.95Å; E570-K574 IonicContact OE1-NZ 2.76Å; E570-K574 PolarHBondContact OE1-NZ 3.04Å
571	A	66.4	Low	54	Low	58 Å²	58	112.3 Å²	112.3	48%	0.479	60%	0.604	S	S	.	*	H	α-helix	trans	-58.4	-42.5	175.9	0	0	0	0	0	112.8	E567 S568 I569 K574 A575	E567-A571 WeakPolarHBondContact O-CB 3.48Å; E567-A571 PolarHBondContact O-N 3.14Å; S568-A571 PolarHBondContact O-N 2.94Å; I569-A571 VanDerWaalsContact C-N 3.33Å; I569-A571 PolarHBondContact O-N 3.29Å; A571-K574 PolarHBondContact O-N 2.98Å; A571-A575 WeakPolarHBondContact O-CB 3.46Å; A571-A575 PolarHBondContact O-N 3.15Å
572	V	63.8	Low	53.2	Low	105 Å²	105	109.9 Å²	109.9	64%	0.636	61%	0.606	S	S	*	*	H	α-helix	trans	-66.2	-44.1	177.1	168.7	0	0	0	0	111.9	S568 I569 E570 K574 A575 A576	S568-V572 WeakPolarHBondContact O-CG2 3.38Å; S568-V572 PolarHBondContact O-N 3.04Å; I569-V572 PolarHBondContact O-N 3.46Å; E570-V572 VanDerWaalsContact C-N 3.34Å; E570-V572 PolarHBondContact O-N 2.89Å; V572-K574 VanDerWaalsContact C-N 3.32Å; V572-K574 PolarHBondContact O-N 3.3Å; V572-A575 PolarHBondContact O-N 2.95Å; V572-A576 WeakPolarHBondContact O-CB 3.42Å; V572-A576 PolarHBondContact O-N 3.38Å
573	M	55.2	Low	52.5	Low	115 Å²	115	109.9 Å²	109.9	57%	0.567	61%	0.612	S	S	*	*	H	α-helix	trans	-64.2	-36.8	176	-69.7	-160.7	-62.2	0	0	112.7	I569 E570 A576 S577	I569-M573 HydrophobicContact CG2-CE 4.47Å; I569-M573 PolarHBondContact O-N 2.59Å; E570-M573 PolarHBondContact O-N 2.89Å; M573-A576 PolarHBondContact O-N 2.96Å; M573-S577 PolarHBondContact O-OG 3.4Å
574	K	63.3	Low	51.2	Low	136 Å²	136	110.8 Å²	110.8	59%	0.591	62%	0.621	S	S	*	*	H	α-helix	trans	-71.4	-34.4	179.6	-150.8	168.5	-151.5	152	0	111.8	E570 A571 V572	E570-K574 WeakPolarHBondContact O-CB 3.43Å; E570-K574 PolarHBondContact O-N 2.95Å; E570-K574 IonicContact OE1-NZ 2.76Å; E570-K574 PolarHBondContact OE1-NZ 3.04Å; A571-K574 PolarHBondContact O-N 2.98Å; V572-K574 VanDerWaalsContact C-N 3.32Å; V572-K574 PolarHBondContact O-N 3.3Å
575	A	54.2	Low	50	Low	76 Å²	76	112.8 Å²	112.8	63%	0.628	63%	0.63	S	S	*	*	H	α-helix	trans	-70.8	-33.3	170.8	0	0	0	0	0	113	A571 V572 S577	A571-A575 WeakPolarHBondContact O-CB 3.46Å; A571-A575 PolarHBondContact O-N 3.15Å; V572-A575 PolarHBondContact O-N 2.95Å; A575-S577 PolarHBondContact O-N 2.99Å
576	A	45.7	Very low	48.6	Very low	83 Å²	83	114.2 Å²	114.2	69%	0.686	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-3.2	-178.3	0	0	0	0	0	115.1	V572 M573	V572-A576 WeakPolarHBondContact O-CB 3.42Å; V572-A576 PolarHBondContact O-N 3.38Å; M573-A576 PolarHBondContact O-N 2.96Å
577	S	43.5	Very low	46.9	Very low	98 Å²	98	119.8 Å²	119.8	69%	0.685	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	18.1	-175	-59.9	0	0	0	0	114.4	M573 A575	M573-S577 PolarHBondContact O-OG 3.4Å; A575-S577 PolarHBondContact O-N 2.99Å
578	Y	37	Very low	45.4	Very low	209 Å²	209	119.4 Å²	119.4	82%	0.82	67%	0.668	S	S	*	*			trans	-124.1	146	176.5	-91.9	-89.3	0	0	0	114
579	D	34.2	Very low	43.8	Very low	129 Å²	129	124.9 Å²	124.9	69%	0.69	69%	0.685	S	S	*	*			trans	74	110.6	168.1	-152.7	14	0	0	0	120.5	N581	D579-N581 PolarHBondContact OD1-N 3.42Å
580	S	37.1	Very low	42.2	Very low	123 Å²	123	129.6 Å²	129.6	86%	0.86	71%	0.706	S	S	*	*			trans	-168	53.1	150.1	-79.8	0	0	0	0	109.1	S582	S580-S582 PolarHBondContact O-N 3.04Å
581	N	32.6	Very low	40.8	Very low	153 Å²	153	132.1 Å²	132.1	82%	0.818	72%	0.718	S	S	*	*			trans	-74.1	122.9	178.3	-78	-64.6	0	0	0	111.2	D579	D579-N581 PolarHBondContact OD1-N 3.42Å
582	S	33.1	Very low	39.1	Very low	111 Å²	111	136 Å²	136	78%	0.776	73%	0.731	S	S	*	*			trans	-113.8	116.1	177.6	-174	0	0	0	0	111.2	S580	S580-S582 PolarHBondContact O-N 3.04Å
583	P	36.5	Very low	37.6	Very low	120 Å²	120	135.4 Å²	135.4	78%	0.779	73%	0.727	S	S	*	*			trans	-78.5	148.9	-178.9	31.5	-34.4	0	0	0	112.4
584	K	30.1	Very low	36.5	Very low	192 Å²	192	138.4 Å²	138.4	84%	0.835	74%	0.74	S	S	*	*			trans	-118.9	121.4	175.2	-69.8	-179.1	178.1	177.1	0	111.1	T586	K584-T586 PolarHBondContact O-N 3.33Å; K584-T586 PolarHBondContact O-OG1 2.93Å
585	E	33.4	Very low	34.9	Very low	199 Å²	199	136.7 Å²	136.7	93%	0.93	74%	0.744	S	S	*	*			trans	-93.9	85.3	173	-69.2	-158.1	115.3	0	0	113.3
586	T	30.6	Very low	33.9	Very low	109 Å²	109	139.8 Å²	139.8	67%	0.669	75%	0.75	S	S	*	*				41.7	95.6	116.6	-48.2	0	0	0	0	121	K584	K584-T586 PolarHBondContact O-N 3.33Å; K584-T586 PolarHBondContact O-OG1 2.93Å
587	K	29.9	Very low	33.3	Very low	191 Å²	191	141.7 Å²	141.7	83%	0.83	76%	0.755	S	S	*	*			trans	67.6	-176.6	132	-67	-175.8	-178.2	174.8	0	117.5
588	P	35.3	Very low	32.6	Very low	111 Å²	111	141.4 Å²	141.4	72%	0.721	75%	0.753	S	S	*	*			cis	-127.8	-173.1	-9	20.3	5	0	0	0	115.9
589	K	31.4	Very low	32.2	Very low	175 Å²	175	137.9 Å²	137.9	76%	0.761	75%	0.749	S	S	*	*			trans	99.8	136	161.2	-60.2	-176.6	168.8	-176.7	0	115.5
590	H	32.6	Very low	31.9	Very low	130 Å²	130	138.3 Å²	138.3	60%	0.602	75%	0.749	S	S	*	*			cis	-153.8	156.5	-8.9	-111.4	-53.9	0	0	0	108.9
591	Q	30.9	Very low	31.5	Very low	152 Å²	152	136.9 Å²	136.9	71%	0.71	74%	0.735	S	S	*	*			trans	47.4	138.6	143.1	-67.2	160.9	-26.8	0	0	118.5
592	N	30.3	Very low	31.2	Very low	140 Å²	140	134.5 Å²	134.5	75%	0.749	73%	0.731	S	S	*	*			cis	-168.7	167.5	18.9	-110.9	3.8	0	0	0	105.8
593	T	33.3	Very low	31.1	Very low	91 Å²	91	137.6 Å²	137.6	56%	0.558	73%	0.727	S	S	*	*			cis	-163.6	145.3	14.7	-106.9	0	0	0	0	108.6
594	E	32.5	Very low	30.7	Very low	178 Å²	178	140.9 Å²	140.9	83%	0.832	72%	0.724	S	S	*	*			trans	53.6	150.5	157.8	-71.8	171.4	138	0	0	122.5
595	C	29.2	Very low	30.5	Very low	101 Å²	101	138.7 Å²	138.7	68%	0.682	72%	0.721	S	S	*	*			cis	-163.9	178.1	-33.3	-140.1	0	0	0	0	112.2
596	N	33.1	Very low	30.3	Very low	140 Å²	140	134.9 Å²	134.9	75%	0.749	71%	0.712	S	S	*	*			trans	65.7	69.2	158.8	-61.3	-16.2	0	0	0	120.4
597	P	34	Very low	30.2	Very low	123 Å²	123	134.4 Å²	134.4	80%	0.799	71%	0.709	S	S	*	*			trans	-81.9	141.1	136.6	35.1	-29.4	0	0	0	110.7
598	S	27.8	Very low	30.2	Very low	93 Å²	93	132 Å²	132	65%	0.65	70%	0.704	S	S	*	*			trans	177.6	169	154.7	47.5	0	0	0	0	111.6
599	N	28.3	Very low	29.8	Very low	135 Å²	135	133.7 Å²	133.7	72%	0.722	71%	0.707	S	S	*	*			trans	75.1	136.5	152.9	-69.1	-15.1	0	0	0	118.7
600	I	27.5	Very low	29.7	Very low	137 Å²	137	131.2 Å²	131.2	70%	0.703	70%	0.7	S	S	*	*			cis	-164.4	162.7	-12.5	-143.6	170.6	0	0	0	111.2
601	T	29.6	Very low	29.3	Very low	93 Å²	93	131.2 Å²	131.2	57%	0.571	71%	0.705	S	S	*	*			trans	50.7	101.3	151.6	-57.4	0	0	0	0	117.9	Y603	T601-Y603 HydrophobicContact CG2-CD2 4.22Å; T601-Y603 HydrophobicContact CG2-CE2 4.23Å
602	S	25.7	Very low	29.3	Very low	104 Å²	104	130.9 Å²	130.9	73%	0.727	71%	0.713	S	S	*	*				49.6	105.5	80.1	-175.5	0	0	0	0	115.4
603	Y	30.7	Very low	29.2	Very low	175 Å²	175	128.6 Å²	128.6	69%	0.686	71%	0.705	S	S	*	*			trans	-161.2	128.5	143.9	-99.7	-49.7	0	0	0	113.3	T601	T601-Y603 HydrophobicContact CG2-CD2 4.22Å; T601-Y603 HydrophobicContact CG2-CE2 4.23Å
604	R	29.1	Very low	28.8	Very low	189 Å²	189	131 Å²	131	71%	0.713	72%	0.715	S	S	*	*			trans	51.8	130.4	142	-75.3	163.9	-176.5	154.6	-1.1	118.4
605	N	26.4	Very low	28.9	Very low	146 Å²	146	127.2 Å²	127.2	78%	0.781	70%	0.704	S	S	*	*				48.4	124	79.6	-53.8	1.6	0	0	0	111.1
606	T	28	Very low	29	Very low	119 Å²	119	129.1 Å²	129.1	73%	0.73	72%	0.715	S	S	*	*			cis	-139.1	158.7	34.4	44.9	0	0	0	0	111.5
607	T	27.8	Very low	28.8	Very low	100 Å²	100	127.2 Å²	127.2	61%	0.613	71%	0.711	S	S	*	*				45.4	125.8	82.7	-13.7	0	0	0	0	111.6
608	L	31.3	Very low	28.6	Very low	140 Å²	140	129.7 Å²	129.7	73%	0.733	71%	0.712	S	S	*	*			cis	-131.1	158.1	29.1	-49.2	113.6	0	0	0	111.1	I610	L608-I610 HydrophobicContact CD2-CD1 4.18Å
609	L	26.4	Very low	28.6	Very low	147 Å²	147	129.6 Å²	129.6	77%	0.77	71%	0.711	S	S	*	*			cis	70.8	150.4	31.9	-142	154.4	0	0	0	112.6
610	I	28.4	Very low	28.8	Very low	122 Å²	122	131.1 Å²	131.1	63%	0.626	71%	0.712	S	S	*	*			trans	89.2	98.2	-177.8	-50.9	162.6	0	0	0	114.2	L608	L608-I610 HydrophobicContact CD2-CD1 4.18Å
611	D	25.1	Very low	28.8	Very low	131 Å²	131	130.4 Å²	130.4	70%	0.701	71%	0.709	S	S	*	*				24.8	126.3	126.8	-40.8	-53.3	0	0	0	120.2
612	V	30.7	Very low	28.8	Very low	145 Å²	145	133.5 Å²	133.5	88%	0.879	72%	0.715	S	S	*	*				-137.7	109.4	129.7	-177.5	0	0	0	0	108.5
613	P	28.5	Very low	29	Very low	91 Å²	91	136 Å²	136	59%	0.591	71%	0.713	S	S	*	*			trans	-84.7	177.6	167.8	37.2	-35.2	0	0	0	111.2
614	D	25.2	Very low	28.8	Very low	141 Å²	141	136.4 Å²	136.4	75%	0.754	72%	0.721	S	S	*	*			trans	64.5	104	150.6	-69.8	-30	0	0	0	120.6
615	V	34.3	Very low	28.6	Very low	100 Å²	100	135.5 Å²	135.5	61%	0.606	73%	0.725	S	S	*	*				64.2	132.8	106.4	166.4	0	0	0	0	119.1	C617	V615-C617 HydrophobicContact CG1-CB 3.76Å; V615-C617 VanDerWaalsContact CG1-SG 3.56Å
616	P	32	Very low	28.5	Very low	140 Å²	140	135.9 Å²	135.9	91%	0.909	72%	0.722	S	S	*	*			trans	-110.5	92	143.3	0	20.9	0	0	0	111.3
617	C	27.6	Very low	28.5	Very low	100 Å²	100	136.3 Å²	136.3	68%	0.676	72%	0.718	S	S	*	*			trans	-79.2	128	159.9	-87.1	0	0	0	0	107.4	V615	V615-C617 HydrophobicContact CG1-CB 3.76Å; V615-C617 VanDerWaalsContact CG1-SG 3.56Å
618	H	29.2	Very low	28.5	Very low	175 Å²	175	139 Å²	139	81%	0.81	73%	0.729	S	S	*	*			trans	175.6	114.9	142.4	-95.2	-59.4	0	0	0	107.2
619	S	29.5	Very low	28.5	Very low	91 Å²	91	135.1 Å²	135.1	64%	0.636	72%	0.722	S	S	*	*				179.6	162.3	83.4	-76.2	0	0	0	0	107.9
620	K	31.2	Very low	28.8	Very low	168 Å²	168	132.7 Å²	132.7	73%	0.73	72%	0.716	S	S	*	*			cis	-177.9	161.3	-7.8	-97.4	168.9	-169.1	167.7	0	102.9
621	D	29	Very low	28.7	Very low	122 Å²	122	137.3 Å²	137.3	65%	0.652	73%	0.725	S	S	*	*			cis	-165.2	-178.5	2.5	-121.8	-41	0	0	0	107.5
622	F	28.6	Very low	28.8	Very low	158 Å²	158	138.4 Å²	138.4	69%	0.693	73%	0.729	S	S	*	*			trans	70	118.3	149.6	-91	-140.7	0	0	0	121.9
623	K	30.5	Very low	28.5	Very low	157 Å²	157	136.5 Å²	136.5	68%	0.683	72%	0.722	S	S	*	*			trans	62.5	125.8	137.1	-59.4	-177.2	-177.8	-178.8	0	118.9
624	Q	25	Very low	28.9	Very low	182 Å²	182	141 Å²	141	85%	0.85	74%	0.735	S	S	*	*			cis	64.1	63	33.2	-159	85.8	43	0	0	114.7
625	Q	26.8	Very low	29.1	Very low	171 Å²	171	140.3 Å²	140.3	80%	0.799	74%	0.739	S	S	*	*			trans	-165.3	121.4	140.3	-101.9	148.6	-1	0	0	107.2
626	H	24.4	Very low	28.6	Very low	154 Å²	154	138.5 Å²	138.5	71%	0.713	74%	0.741	S	S	*	*				92.2	104.3	52.5	177.7	-78.6	0	0	0	111.7
627	I	26.1	Very low	28.2	Very low	128 Å²	128	138.2 Å²	138.2	66%	0.656	74%	0.736	S	S	*	*			trans	54.9	106	160.5	-54.7	-174	0	0	0	115.2
628	D	29.2	Very low	28	Very low	156 Å²	156	143.3 Å²	143.3	83%	0.834	74%	0.742	S	S	*	*				-146.3	161.6	99.1	-126.5	-37.2	0	0	0	112.5
629	G	30.2	Very low	27.8	Very low	58 Å²	58	143 Å²	143	60%	0.598	74%	0.739	S	S	*	*			trans	-113.2	-138.8	176	0	0	0	0	0	111.2
630	P	34.1	Very low	27.6	Very low	97 Å²	97	145.8 Å²	145.8	63%	0.63	74%	0.742	S	S	*	*			cis	-145.5	171.8	-4.7	43	-25.6	0	0	0	116.5
631	R	26.2	Very low	27.3	Very low	219 Å²	219	144.7 Å²	144.7	83%	0.826	74%	0.742	S	S	*	*			trans	71	154	137.7	-83.2	167	-151.8	178.9	7.6	121.3
632	I	26.7	Very low	27.2	Very low	153 Å²	153	146.3 Å²	146.3	79%	0.785	75%	0.746	S	S	*	*			trans	75.9	122.8	158.5	-66.4	146.5	0	0	0	115
633	S	25.2	Very low	27.2	Very low	105 Å²	105	145.9 Å²	145.9	73%	0.734	75%	0.751	S	S	*	*			cis	168.2	155.5	-21.6	-98	0	0	0	0	104.6
634	Q	35.9	Very low	26.9	Very low	185 Å²	185	143.5 Å²	143.5	86%	0.864	75%	0.754	S	S	*	*			trans	-60.4	151.3	154.4	-68.3	-172.1	9.8	0	0	109.1
635	P	28.5	Very low	27.3	Very low	127 Å²	127	141.2 Å²	141.2	83%	0.825	75%	0.752	S	S	*	*			cis	-151.9	-156	47.1	44.4	-23.3	0	0	0	114.2
636	G	25.5	Very low	27.3	Very low	63 Å²	63	143.6 Å²	143.6	65%	0.649	75%	0.754	S	S	*	*			trans	115	109.8	145.3	0	0	0	0	0	113.3
637	V	23.3	Very low	27.6	Very low	133 Å²	133	141.5 Å²	141.5	81%	0.806	76%	0.757	S	S	*	*				68	92.3	55.3	-175.7	0	0	0	0	112.7
638	Y	22.3	Very low	27.9	Very low	208 Å²	208	139.3 Å²	139.3	82%	0.816	75%	0.753	S	S	*	*			trans	65.6	147.7	142.1	-90.1	-99.6	0	0	0	121.7
639	K	25.5	Very low	28	Very low	168 Å²	168	139.7 Å²	139.7	73%	0.73	75%	0.75	S	S	*	*			trans	75	122.4	159.7	-69.7	176.6	-179.9	179.6	0	116.1
640	Q	26.2	Very low	28	Very low	150 Å²	150	146.1 Å²	146.1	70%	0.701	76%	0.761	S	S	*	*				81.4	97.9	51.3	-177.5	-163.6	-1.9	0	0	112.1
641	I	25.2	Very low	27.7	Very low	144 Å²	144	150.3 Å²	150.3	74%	0.738	77%	0.772	S	S	*	*			trans	-164.1	109.7	148	-94.1	141.9	0	0	0	102.3
642	Q	25.5	Very low	28.1	Very low	157 Å²	157	142.9 Å²	142.9	73%	0.734	76%	0.763	S	S	*	*				66.2	147.8	81.5	-73.3	-175.4	-42.8	0	0	113.8
643	N	30.1	Very low	28.3	Very low	148 Å²	148	142.9 Å²	142.9	79%	0.791	77%	0.765	S	S	*	*			trans	91.7	96.1	-170.6	-52.3	-20.1	0	0	0	112.4
644	S	24.1	Very low	28.7	Very low	108 Å²	108	144.6 Å²	144.6	76%	0.755	77%	0.765	S	S	*	*			cis	71.5	69.6	27.2	-175.3	0	0	0	0	115.9
645	V	33.2	Very low	28.6	Very low	133 Å²	133	144.7 Å²	144.7	81%	0.806	76%	0.764	S	S	*	*			trans	-141.4	101.9	159.1	-176.9	0	0	0	0	104.4
646	R	25.2	Very low	28.8	Very low	221 Å²	221	141.6 Å²	141.6	83%	0.834	76%	0.756	S	S	*	*				48.8	124.4	78.5	-69.4	-168.1	173.9	-165.8	-1.6	111.8
647	S	31.2	Very low	29.1	Very low	111 Å²	111	144 Å²	144	78%	0.776	76%	0.763	S	S	*	*				-173.3	167.7	69.9	-79.6	0	0	0	0	109
648	S	32.4	Very low	29.4	Very low	82 Å²	82	142.2 Å²	142.2	57%	0.573	76%	0.756	S	S	*	*			cis	-167.7	149.2	-1.3	31.8	0	0	0	0	109.9
649	E	31.1	Very low	29.8	Very low	164 Å²	164	139.4 Å²	139.4	77%	0.766	75%	0.751	S	S	*	*			trans	57.4	153.6	153.2	-73.3	121.9	-120.8	0	0	119.8
650	F	30.6	Very low	30.1	Very low	192 Å²	192	136.1 Å²	136.1	84%	0.842	74%	0.741	S	S	*	*			cis	-115.3	165	15.5	-109.7	-95.5	0	0	0	115
651	H	28.6	Very low	30.1	Very low	186 Å²	186	133 Å²	133	86%	0.861	74%	0.736	S	S	*	*			trans	-137.6	149.4	175.4	-129.1	66	0	0	0	110.3
652	G	33.9	Very low	30.3	Very low	62 Å²	62	135.1 Å²	135.1	64%	0.639	74%	0.736	S	S	*	*			trans	171.4	100.6	170.4	0	0	0	0	0	110.4
653	N	30.5	Very low	30.4	Very low	154 Å²	154	134.8 Å²	134.8	82%	0.824	74%	0.738	S	S	*	*				66.2	125.7	87.3	-84.4	2.4	0	0	0	111.9
654	I	33.9	Very low	30.3	Very low	141 Å²	141	136 Å²	136	72%	0.723	74%	0.743	S	S	*	*			cis	-149.7	144.7	31.3	-74.4	-167.3	0	0	0	111.9
655	H	33.8	Very low	30.5	Very low	186 Å²	186	134.2 Å²	134.2	86%	0.861	74%	0.743	S	S	*	*			trans	34.7	148.3	155.7	-69	-134.2	0	0	0	122
656	G	33.3	Very low	30.4	Very low	63 Å²	63	135.2 Å²	135.2	65%	0.649	74%	0.743	S	S	*	*			cis	169.3	172.1	-1.6	0	0	0	0	0	113.8
657	S	30.7	Very low	30.6	Very low	113 Å²	113	133.4 Å²	133.4	79%	0.79	75%	0.747	S	S	*	*			trans	10.5	141.4	158.2	54.8	0	0	0	0	121.3
658	S	30.5	Very low	30.6	Very low	95 Å²	95	131.4 Å²	131.4	66%	0.664	74%	0.743	S	S	*	*			cis	-172.1	-165.3	-5	50.2	0	0	0	0	108
659	E	31.1	Very low	30.6	Very low	150 Å²	150	133.5 Å²	133.5	70%	0.701	76%	0.758	S	S	*	*			cis	-164.9	-157.8	8.8	-143	159	-77.3	0	0	112.4
660	N	31.4	Very low	30.4	Very low	99 Å²	99	133.6 Å²	133.6	53%	0.529	76%	0.759	S	S	.	*			trans	2.6	131	162.1	-49.2	-47.5	0	0	0	119.9	Y662	N660-Y662 HydrophobicContact CB-CD2 4.45Å; N660-Y662 HydrophobicContact CB-CE2 4.24Å
661	S	26.6	Very low	30.5	Very low	84 Å²	84	129.5 Å²	129.5	59%	0.587	75%	0.751	S	S	*	*			cis	82.3	157.9	26.7	90.1	0	0	0	0	117.4
662	Y	29.1	Very low	30.3	Very low	188 Å²	188	127.9 Å²	127.9	74%	0.737	74%	0.744	S	S	*	*			trans	73.8	153.4	179.9	-36.8	-60.6	0	0	0	115.9	N660	N660-Y662 HydrophobicContact CB-CD2 4.45Å; N660-Y662 HydrophobicContact CB-CE2 4.24Å
663	L	26.9	Very low	30	Very low	151 Å²	151	129.7 Å²	129.7	79%	0.791	75%	0.747	S	S	*	*			cis	-168.8	146.4	-42.9	-123.9	170.8	0	0	0	108.8
664	L	27.4	Very low	29.8	Very low	172 Å²	172	130.3 Å²	130.3	90%	0.901	75%	0.745	S	S	*	*			trans	64.1	141	151.3	-151.7	72.1	0	0	0	119.8
665	G	30	Very low	29.7	Very low	72 Å²	72	134.6 Å²	134.6	74%	0.742	75%	0.754	S	S	*	*			trans	152.1	103	161.4	0	0	0	0	0	116.5
666	N	30.3	Very low	29.5	Very low	153 Å²	153	131.5 Å²	131.5	82%	0.818	75%	0.75	S	S	*	*			trans	-65.1	154.7	172.9	-65.7	-13	0	0	0	112.9
667	M	29.9	Very low	29.1	Very low	183 Å²	183	137.1 Å²	137.1	90%	0.901	76%	0.757	S	S	*	*				163.8	139.9	107.5	-83.9	-62.9	-108.2	0	0	112.5
668	G	30.1	Very low	28.8	Very low	69 Å²	69	138 Å²	138	71%	0.711	75%	0.748	S	S	*	*			trans	111.4	126.6	148.6	0	0	0	0	0	120
669	S	31.9	Very low	28.7	Very low	126 Å²	126	140.4 Å²	140.4	88%	0.881	75%	0.75	S	S	*	*			trans	75.6	102.3	138.2	-52.8	0	0	0	0	122.6
670	Q	28.4	Very low	28.4	Very low	167 Å²	167	139.9 Å²	139.9	78%	0.78	75%	0.751	S	S	*	*			trans	-20.2	173.4	134.7	-104.2	-168	-43.7	0	0	119.4
671	P	31.8	Very low	28.4	Very low	105 Å²	105	141.7 Å²	141.7	68%	0.682	76%	0.759	S	S	*	*			cis	-138.1	-167	4.5	32.5	-8.2	0	0	0	117.3
672	Q	25.5	Very low	28.4	Very low	152 Å²	152	143.7 Å²	143.7	71%	0.71	76%	0.759	S	S	*	*			trans	-40.8	164.6	162	-55.7	148.4	-91.7	0	0	114.1
673	S	26.1	Very low	28.4	Very low	101 Å²	101	141.3 Å²	141.3	71%	0.706	76%	0.758	S	S	*	*				176.5	144.2	64.9	63.1	0	0	0	0	110
674	Q	28	Very low	28.4	Very low	167 Å²	167	138.9 Å²	138.9	78%	0.78	75%	0.746	S	S	*	*				83.8	117	93.4	-175.1	173.2	-26.4	0	0	115.7
675	Y	30.3	Very low	28.6	Very low	230 Å²	230	139.6 Å²	139.6	90%	0.902	74%	0.737	S	S	*	*			trans	-65.2	144.2	161.4	-77.3	-87.6	0	0	0	110.6
676	P	31.2	Very low	28.5	Very low	121 Å²	121	142.3 Å²	142.3	79%	0.786	73%	0.734	S	S	*	*				-141.3	-167.1	121	38.1	-23.4	0	0	0	114.4
677	F	23.1	Very low	28.6	Very low	181 Å²	181	141.4 Å²	141.4	79%	0.794	73%	0.73	S	S	*	*			trans	-111.6	165.3	-163.1	178.7	-116.9	0	0	0	111.3
678	E	26.1	Very low	28.4	Very low	131 Å²	131	138 Å²	138	61%	0.612	72%	0.719	S	S	*	*			trans	70.1	162	177.9	-53.5	-133.8	-156.9	0	0	116.1
679	Q	26.8	Very low	28.4	Very low	147 Å²	147	141.9 Å²	141.9	69%	0.687	72%	0.719	S	S	*	*			cis	-156.3	141.6	16.6	-157	148.5	56.6	0	0	115.6
680	L	25.1	Very low	28.3	Very low	138 Å²	138	143.2 Å²	143.2	72%	0.723	71%	0.711	S	S	*	*			trans	58.3	160.2	146.8	-79.8	176.7	0	0	0	125.5
681	I	30.9	Very low	28.5	Very low	137 Å²	137	141.9 Å²	141.9	70%	0.703	71%	0.709	S	S	*	*			trans	70.1	118.5	160.4	-65.1	143.3	0	0	0	116.3
682	E	26.7	Very low	28.4	Very low	127 Å²	127	145.6 Å²	145.6	59%	0.593	72%	0.715	S	S	*	*			cis	100.6	153.7	26.8	-166.3	169.9	-132.1	0	0	114.5	S1116	E682-S1116 WeakPolarHBondContact OE1-CB 3.44Å; E682-S1116 PolarHBondContact OE1-OG 3.45Å
683	L	30.6	Very low	28.8	Very low	138 Å²	138	142.4 Å²	142.4	72%	0.723	71%	0.707	S	S	*	*			trans	88.6	68.8	173.4	-53.3	-179.9	0	0	0	119.9
684	N	26.2	Very low	29.1	Very low	99 Å²	99	146 Å²	146	53%	0.529	71%	0.713	S	S	.	*				11.8	156.3	117.3	-158.2	2.6	0	0	0	121.5
685	R	30.9	Very low	29	Very low	187 Å²	187	142.5 Å²	142.5	71%	0.706	71%	0.706	S	S	*	*			trans	98.6	110.2	172.7	-60.4	-178.8	172.6	95.2	2.8	115.5
686	N	28.5	Very low	29	Very low	130 Å²	130	142.4 Å²	142.4	70%	0.695	71%	0.706	S	S	*	*				80.3	140.1	88.6	-61.4	2.8	0	0	0	112.1
687	D	32	Very low	29	Very low	134 Å²	134	142.2 Å²	142.2	72%	0.717	70%	0.703	S	S	*	*			cis	-155.4	136.7	39.8	-111.6	-59.4	0	0	0	116.6
688	T	27	Very low	29.6	Very low	111 Å²	111	139.5 Å²	139.5	68%	0.681	70%	0.703	S	S	*	*			trans	21.2	149.9	130.7	-24.7	0	0	0	0	125.5
689	Q	30.4	Very low	29.6	Very low	151 Å²	151	139.5 Å²	139.5	71%	0.706	71%	0.708	S	S	*	*			trans	87.4	114.5	157.4	-54.9	-163.1	-1.1	0	0	118.3
690	Q	29.1	Very low	30	Very low	154 Å²	154	140.7 Å²	140.7	72%	0.72	72%	0.715	S	S	*	*				111.6	152.8	92.1	-92.8	177.8	-25	0	0	110.1
691	D	32.7	Very low	30.4	Very low	138 Å²	138	139.6 Å²	139.6	74%	0.738	71%	0.71	S	S	*	*			cis	-143.2	-166.2	2.6	-139.9	-46.1	0	0	0	113.2
692	K	29.5	Very low	30.4	Very low	184 Å²	184	139.2 Å²	139.2	80%	0.8	72%	0.718	S	S	*	*			trans	-110.1	-155.1	-156.3	-147.1	-171.1	179.6	176.9	0	115.3
693	P	34.5	Very low	30.7	Very low	84 Å²	84	139.6 Å²	139.6	55%	0.545	72%	0.723	S	S	.	*				-113.1	-171.6	-124	43.7	-28.4	0	0	0	115.5
694	H	32.2	Very low	30.5	Very low	178 Å²	178	140 Å²	140	82%	0.824	73%	0.726	S	S	*	*				177.9	131.4	119.5	-92	-65.6	0	0	0	115.4
695	S	26.1	Very low	30.8	Very low	93 Å²	93	141.5 Å²	141.5	65%	0.65	74%	0.744	S	S	*	*			trans	47.9	125.7	136.5	-163.3	0	0	0	0	123.6
696	Y	30.5	Very low	30.7	Very low	227 Å²	227	137.6 Å²	137.6	89%	0.89	75%	0.745	S	S	*	*				-159.5	164.8	120.5	-116.9	-78.9	0	0	0	111.8
697	T	31.2	Very low	30.8	Very low	118 Å²	118	138.9 Å²	138.9	72%	0.724	75%	0.751	S	S	*	*			trans	-111.4	164.4	-161.4	42.9	0	0	0	0	115.7
698	P	34.4	Very low	30.9	Very low	124 Å²	124	140.2 Å²	140.2	81%	0.805	75%	0.753	S	S	*	*			trans	-100.9	166.2	-177.4	39.9	-35.4	0	0	0	114.1
699	D	27	Very low	31	Very low	131 Å²	131	142 Å²	142	70%	0.701	76%	0.758	S	S	*	*			trans	-164.2	155.9	151.9	-144.2	-20.4	0	0	0	112.9
700	M	35.5	Very low	31.3	Very low	172 Å²	172	140 Å²	140	85%	0.847	76%	0.758	S	S	*	*			trans	165.3	148.5	138	-89.9	-61.7	151.3	0	0	113.8
701	N	32.5	Very low	31.4	Very low	114 Å²	114	141.4 Å²	141.4	61%	0.61	77%	0.77	S	S	*	*			trans	-114.5	162.2	-161	-72.7	-85.1	0	0	0	114.7	I703	N701-I703 HydrophobicContact CB-CD1 4.13Å; N701-I703 HydrophobicContact CB-CG1 4.44Å
702	C	31.8	Very low	31.1	Very low	129 Å²	129	143.2 Å²	143.2	87%	0.872	77%	0.774	S	S	*	*			trans	178.4	144.8	135.9	-94.7	0	0	0	0	111.3
703	I	32.8	Very low	31.2	Very low	135 Å²	135	141.1 Å²	141.1	69%	0.692	78%	0.776	S	S	*	*				-175.3	138.4	-51.9	-95.1	158.3	0	0	0	106.1	N701	N701-I703 HydrophobicContact CB-CD1 4.13Å; N701-I703 HydrophobicContact CB-CG1 4.44Å
704	N	25.6	Very low	30.8	Very low	148 Å²	148	143.5 Å²	143.5	79%	0.791	78%	0.784	S	S	*	*			trans	-34.3	156.8	179.2	-52.5	-23.2	0	0	0	120.8
705	S	32.8	Very low	30.8	Very low	129 Å²	129	140 Å²	140	90%	0.902	79%	0.785	S	S	*	*				-162.6	161.2	123.6	14.8	0	0	0	0	112.1
706	S	28.8	Very low	30.9	Very low	106 Å²	106	141.8 Å²	141.8	74%	0.741	79%	0.788	S	S	*	*			trans	-153.5	163.8	-169.2	54.9	0	0	0	0	112.8
707	L	30.2	Very low	31	Very low	157 Å²	157	137.2 Å²	137.2	82%	0.822	78%	0.783	S	S	*	*			trans	151.2	155.3	138.1	-82	160.4	0	0	0	116.8
708	H	34.9	Very low	30.8	Very low	162 Å²	162	136.8 Å²	136.8	75%	0.75	78%	0.781	S	S	*	*			trans	73.4	95.2	151.2	-95.7	-74.5	0	0	0	124.4
709	D	29.2	Very low	30.5	Very low	148 Å²	148	139.5 Å²	139.5	79%	0.791	78%	0.78	S	S	*	*				49.4	160	110.8	-85.8	13.2	0	0	0	126
710	P	35.9	Very low	30.6	Very low	109 Å²	109	141 Å²	141	71%	0.708	78%	0.783	S	S	*	*			trans	-117.5	169.4	-157.3	43.3	-33.5	0	0	0	117.2
711	L	31	Very low	30.3	Very low	183 Å²	183	139.2 Å²	139.2	96%	0.958	78%	0.777	S	S	*	*			trans	-145.7	164.1	163.2	-82.5	-176.1	0	0	0	113.8
712	Q	27.5	Very low	30.2	Very low	177 Å²	177	138.2 Å²	138.2	83%	0.827	78%	0.775	S	S	*	*			trans	-103.7	142.3	-175.8	-55.7	170.5	-7.8	0	0	113.5
713	V	31.4	Very low	30.2	Very low	140 Å²	140	140 Å²	140	85%	0.848	77%	0.77	S	S	*	*			trans	-161	122.2	144.9	177.6	0	0	0	0	104.9
714	L	25.6	Very low	30	Very low	134 Å²	134	141.1 Å²	141.1	70%	0.702	77%	0.766	S	S	*	*			cis	85.2	93.6	27.3	-147.3	178.3	0	0	0	114.6
715	A	33	Very low	30.2	Very low	103 Å²	103	140.7 Å²	140.7	85%	0.851	76%	0.757	S	S	*	*			trans	-153	110.4	165.4	0	0	0	0	0	110.7
716	D	27.3	Very low	30	Very low	132 Å²	132	140 Å²	140	71%	0.706	74%	0.739	S	S	*	*			trans	-93.6	153.5	177.2	-69.3	-70.5	0	0	0	112.7
717	T	33	Very low	30	Very low	131 Å²	131	141.5 Å²	141.5	80%	0.804	74%	0.736	S	S	*	*			trans	-174.8	104.7	141.1	27.6	0	0	0	0	107.4
718	T	26.3	Very low	29.8	Very low	108 Å²	108	142.8 Å²	142.8	66%	0.663	74%	0.736	S	S	*	*				69.1	140.7	66.7	68.6	0	0	0	0	116.1
719	F	29	Very low	29.7	Very low	181 Å²	181	140.1 Å²	140.1	79%	0.794	73%	0.732	S	S	*	*			trans	100.9	97.1	-176.6	-73.1	-78.3	0	0	0	113.8
720	Q	28.8	Very low	29.5	Very low	163 Å²	163	137.8 Å²	137.8	76%	0.762	73%	0.728	S	S	*	*				87.5	148.8	50.8	-70.8	-165.4	-15.5	0	0	115.2
721	D	28.2	Very low	29.1	Very low	135 Å²	135	138.7 Å²	138.7	72%	0.722	73%	0.731	S	S	*	*			trans	69.4	146.3	169	-75.5	-34.3	0	0	0	120.7
722	T	30.8	Very low	29.1	Very low	93 Å²	93	136.5 Å²	136.5	57%	0.571	73%	0.725	S	S	*	*			cis	-168.5	165.8	-48.8	22.5	0	0	0	0	109
723	H	32.6	Very low	29.1	Very low	165 Å²	165	133.2 Å²	133.2	76%	0.764	72%	0.722	S	S	*	*			trans	71.4	154.6	152.6	-67.7	-22.1	0	0	0	118.7
724	R	27.8	Very low	29.2	Very low	159 Å²	159	132 Å²	132	60%	0.6	72%	0.72	S	S	*	*			cis	-175.1	121.4	-13.3	162.8	-179.7	175.7	155	0.5	113	N1005	R724-N1005 PolarHBondContact NH2-OD1 2.88Å
725	K	30.3	Very low	29.4	Very low	139 Å²	139	133.4 Å²	133.4	60%	0.604	73%	0.728	S	S	*	*			trans	63.6	166.7	147.8	-66.8	178.9	175.6	-165.6	0	118.2
726	Q	29.3	Very low	29.4	Very low	115 Å²	115	135.1 Å²	135.1	54%	0.537	73%	0.727	S	S	.	*			cis	-159	144.6	-10	-115.9	170.3	-33.4	0	0	110.6
727	M	27.2	Very low	29.5	Very low	138 Å²	138	140 Å²	140	68%	0.68	74%	0.736	S	S	*	*				52.8	113.7	106.2	-61.1	-179.6	71.8	0	0	117.1
728	F	26.7	Very low	29.6	Very low	184 Å²	184	139.9 Å²	139.9	81%	0.807	74%	0.735	S	S	*	*				97.2	175.1	81	-74	-46.9	0	0	0	113.1
729	P	33.3	Very low	30	Very low	105 Å²	105	142.7 Å²	142.7	68%	0.682	74%	0.742	S	S	*	*				-137.6	-177.2	-105.6	34.2	-7.8	0	0	0	116.8
730	S	25.5	Very low	30.4	Very low	99 Å²	99	139 Å²	139	69%	0.692	74%	0.737	S	S	*	*			trans	46.3	134.4	142.1	63.2	0	0	0	0	123.6
731	T	26.8	Very low	30.7	Very low	128 Å²	128	137 Å²	137	79%	0.785	74%	0.736	S	S	*	*			trans	120.3	153.2	134.2	-38.5	0	0	0	0	117.2
732	V	30.2	Very low	31	Very low	137 Å²	137	137 Å²	137	83%	0.83	74%	0.743	S	S	*	*			trans	96.8	125.9	162.5	-167.1	0	0	0	0	117.6
733	S	28.3	Very low	31.2	Very low	109 Å²	109	136.4 Å²	136.4	76%	0.762	76%	0.755	S	S	*	*			trans	-82.5	157.8	-178.1	-36.8	0	0	0	0	114.2
734	S	33.1	Very low	31.2	Very low	114 Å²	114	134 Å²	134	80%	0.797	76%	0.758	S	S	*	*			trans	-153.5	134.9	145.1	60.6	0	0	0	0	111.3
735	N	29.3	Very low	31.7	Very low	164 Å²	164	134.5 Å²	134.5	88%	0.877	77%	0.77	S	S	*	*			trans	-82.6	138.1	-177	-51	-65.2	0	0	0	111.9
736	V	34.3	Very low	31.7	Very low	138 Å²	138	135.6 Å²	135.6	84%	0.836	78%	0.779	S	S	*	*			trans	-133	134.3	157.3	-177.5	0	0	0	0	109.4
737	R	28.5	Very low	32.1	Very low	236 Å²	236	135 Å²	135	89%	0.891	79%	0.787	S	S	*	*			trans	-100	120.6	-175.5	170.9	-158.4	-67.6	-156.7	-3.4	110.3
738	V	35.8	Very low	32.6	Very low	127 Å²	127	134.4 Å²	134.4	77%	0.77	79%	0.792	S	S	*	*			trans	-142.7	125.4	156.4	-173.1	0	0	0	0	110.3
739	M	34.2	Very low	33.1	Very low	167 Å²	167	130.5 Å²	130.5	82%	0.823	79%	0.788	S	S	*	*			trans	-116.8	157.1	150.2	-80.9	-165.4	73.4	0	0	107.1
740	P	36.8	Very low	33.2	Very low	104 Å²	104	130 Å²	130	68%	0.675	79%	0.786	S	S	*	*				-145.3	143.8	115.9	36.8	-22.2	0	0	0	116
741	T	37	Very low	33.8	Very low	121 Å²	121	132.6 Å²	132.6	74%	0.742	79%	0.792	S	S	*	*			trans	37.8	135.2	145.7	53.4	0	0	0	0	123.1
742	P	33.1	Very low	34.1	Very low	134 Å²	134	131.3 Å²	131.3	87%	0.87	79%	0.788	S	S	*	*			trans	-82.9	160.7	165.3	37	-35.1	0	0	0	112.9
743	G	36.3	Very low	34.4	Very low	81 Å²	81	131 Å²	131	84%	0.835	79%	0.787	S	S	*	*			trans	-122.4	138.3	170.3	0	0	0	0	0	111.7
744	S	30.8	Very low	35	Very low	116 Å²	116	131.9 Å²	131.9	81%	0.811	78%	0.783	S	S	*	*			trans	-114.9	139.4	179.9	-178.5	0	0	0	0	110.5
745	I	39.2	Very low	35.1	Very low	169 Å²	169	132.8 Å²	132.8	87%	0.867	78%	0.784	S	S	*	*			trans	-138.5	136.7	171	-44	179.3	0	0	0	108.8
746	M	30.5	Very low	35.8	Very low	162 Å²	162	129.6 Å²	129.6	80%	0.798	77%	0.772	S	S	*	*			trans	-87.7	164	-174.9	-58.1	152.8	56.3	0	0	112.3
747	S	38.1	Very low	35.9	Very low	101 Å²	101	128.7 Å²	128.7	71%	0.706	77%	0.767	S	S	*	*				175.8	139.8	107.6	-73.7	0	0	0	0	113.9
748	T	36.8	Very low	36.4	Very low	126 Å²	126	122.8 Å²	122.8	77%	0.773	76%	0.759	S	S	*	*			trans	25.8	144.2	141.3	63.8	0	0	0	0	120.2
749	S	37.9	Very low	36.4	Very low	103 Å²	103	122.8 Å²	122.8	72%	0.72	76%	0.759	S	S	*	*			cis	177.1	170.4	29.4	14.1	0	0	0	0	108.3
750	S	35.1	Very low	36.7	Very low	93 Å²	93	119.3 Å²	119.3	65%	0.65	76%	0.758	S	S	*	*			cis	179.2	172.3	-27.3	52.4	0	0	0	0	108.4
751	L	36.6	Very low	36.6	Very low	154 Å²	154	120.1 Å²	120.1	81%	0.806	76%	0.761	S	S	*	*			trans	70.8	113.7	-173.6	-61.5	86.2	0	0	0	113.5
752	S	34.4	Very low	36.5	Very low	101 Å²	101	119.5 Å²	119.5	71%	0.706	76%	0.759	S	S	*	*			cis	86.7	112.8	12	-39.8	0	0	0	0	117
753	T	36.5	Very low	36.5	Very low	131 Å²	131	120 Å²	120	80%	0.804	76%	0.759	S	S	*	*			trans	177.6	96.9	144.4	-63.9	0	0	0	0	104.6
754	D	40.9	Very low	36.3	Very low	127 Å²	127	120.8 Å²	120.8	68%	0.679	75%	0.75	S	S	*	*				60.4	131.6	78.8	-60.4	-58.4	0	0	0	112.8
755	T	35.4	Very low	36.4	Very low	134 Å²	134	121.4 Å²	121.4	82%	0.822	75%	0.749	S	S	*	*				-161.4	170.6	56.1	13.5	0	0	0	0	111.5
756	P	42.4	Very low	36.2	Very low	96 Å²	96	118.1 Å²	118.1	62%	0.623	74%	0.739	S	S	*	*				-144.4	-168.7	-126.7	42.5	-21.3	0	0	0	118.9
757	T	36.8	Very low	36.2	Very low	119 Å²	119	118.8 Å²	118.8	73%	0.73	74%	0.74	S	S	*	*			trans	68	171.1	151.5	45.1	0	0	0	0	120.4
758	P	40	Very low	35.8	Very low	112 Å²	112	123 Å²	123	73%	0.727	75%	0.748	S	S	*	*			cis	-123.8	139.5	-21.3	16.5	6.7	0	0	0	113.6
759	T	36.1	Very low	35.4	Very low	127 Å²	127	123.9 Å²	123.9	78%	0.779	75%	0.754	S	S	*	*				74.5	110.2	83.8	-53.6	0	0	0	0	117.8
760	A	39	Very low	34.9	Very low	95 Å²	95	124 Å²	124	79%	0.785	76%	0.755	S	S	*	*			trans	-173.8	139.1	134.3	0	0	0	0	0	110.7
761	T	35.2	Very low	34.6	Very low	120 Å²	120	128.3 Å²	128.3	74%	0.736	77%	0.765	S	S	*	*			cis	-152.4	128.9	-27.3	-67.6	0	0	0	0	107
762	P	34.5	Very low	34.1	Very low	109 Å²	109	130.5 Å²	130.5	71%	0.708	77%	0.768	S	S	*	*			trans	-95.1	163	179.3	37.1	-34.7	0	0	0	113.5
763	T	34.7	Very low	33.6	Very low	143 Å²	143	134.9 Å²	134.9	88%	0.877	78%	0.777	S	S	*	*			trans	-139.4	108.2	168.3	-52.7	0	0	0	0	110.6
764	P	32.1	Very low	33.1	Very low	98 Å²	98	132.4 Å²	132.4	64%	0.636	78%	0.778	S	S	*	*			trans	-114.7	168.5	-179.2	38.7	-30	0	0	0	114.4
765	T	31.9	Very low	32.3	Very low	129 Å²	129	132.1 Å²	132.1	79%	0.791	78%	0.784	S	S	*	*			trans	67.1	167.7	157.5	24.7	0	0	0	0	117.5
766	P	34.9	Very low	31.9	Very low	100 Å²	100	133.1 Å²	133.1	65%	0.649	79%	0.785	S	S	*	*			cis	-133.4	-166.4	-2.1	27.4	-1.6	0	0	0	115.6
767	E	31.8	Very low	31.2	Very low	176 Å²	176	137.8 Å²	137.8	82%	0.822	80%	0.795	S	S	*	*			trans	69.5	102.4	158	-38.3	-162.7	165.9	0	0	117.4
768	Q	28.6	Very low	30.9	Very low	189 Å²	189	140.1 Å²	140.1	88%	0.883	80%	0.801	S	S	*	*				50.3	98.8	73.9	-67.1	-160.2	17.4	0	0	115.4
769	T	29	Very low	30.3	Very low	146 Å²	146	139.3 Å²	139.3	90%	0.896	80%	0.804	S	S	*	*			trans	-144.4	141.8	139.4	-76	0	0	0	0	108.3
770	S	26.2	Very low	30.1	Very low	105 Å²	105	137.2 Å²	137.2	73%	0.734	80%	0.795	S	S	*	*			trans	-82.2	133.8	-172.4	53.7	0	0	0	0	113.3
771	Q	29.5	Very low	30	Very low	184 Å²	184	139.7 Å²	139.7	86%	0.86	80%	0.795	S	S	*	*			trans	-151.5	114.4	147.6	-115.2	161	43.9	0	0	111.7
772	F	25.3	Very low	30.5	Very low	199 Å²	199	137.3 Å²	137.3	87%	0.873	78%	0.783	S	S	*	*			trans	-73.5	155.2	155.1	-95.3	-113.5	0	0	0	108.5
773	Q	25.5	Very low	31.3	Very low	193 Å²	193	135.5 Å²	135.5	90%	0.902	77%	0.767	S	S	*	*			trans	72.6	134.7	177.8	-49.5	171.8	-9.9	0	0	114.8
774	G	24.4	Very low	31.9	Very low	79 Å²	79	134.2 Å²	134.2	81%	0.814	76%	0.755	S	S	*	*			trans	127.2	61.5	160.9	0	0	0	0	0	118.6
775	C	25.8	Very low	33.2	Very low	121 Å²	121	133.2 Å²	133.2	82%	0.818	75%	0.751	S	S	*	*			trans	-143.1	39.7	147.7	-151.8	0	0	0	0	112.4
776	N	27.2	Very low	34.8	Very low	156 Å²	156	128 Å²	128	83%	0.834	72%	0.717	S	S	*	*			trans	-94.7	136.9	152.3	-74.3	-13.4	0	0	0	106.4
777	K	26.6	Very low	36.1	Very low	194 Å²	194	128 Å²	128	84%	0.843	71%	0.712	S	S	*	*			trans	72.3	124.4	-162	-45.3	167.3	-174.9	-177.9	0	109.6
778	I	30.7	Very low	37.7	Very low	167 Å²	167	125.9 Å²	125.9	86%	0.856	70%	0.702	S	S	*	*			cis	-133	154.1	37.7	-73.7	158.5	0	0	0	111.8
779	A	27.9	Very low	40	Very low	95 Å²	95	117.4 Å²	117.4	79%	0.785	66%	0.664	S	S	*	*			trans	-1.3	136.7	170.2	0	0	0	0	0	119.4
780	S	31.5	Very low	42.4	Very low	83 Å²	83	113.7 Å²	113.7	58%	0.58	64%	0.643	S	S	*	*			cis	-140.3	171.3	39.2	59.8	0	0	0	0	114.6	S782	S780-S782 PolarHBondContact O-N 2.67Å
781	D	37.4	Very low	45.3	Very low	147 Å²	147	109.1 Å²	109.1	79%	0.786	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	0.8	-169.9	-52.8	-80.4	0	0	0	116.5
782	S	44.2	Very low	48.1	Very low	70 Å²	70	101.4 Å²	101.4	49%	0.49	57%	0.573	S	S	.	*	H	α-helix	trans	-72.8	-36.5	-173	57	0	0	0	0	115.2	S780 N784	S780-S782 PolarHBondContact O-N 2.67Å; S782-N784 VanDerWaalsContact C-N 3.26Å; S782-N784 PolarHBondContact O-N 2.76Å
783	D	52.9	Low	51	Low	72 Å²	72	95.8 Å²	95.8	39%	0.385	55%	0.55	S	S	.	.	H	α-helix	trans	-70.5	-22.6	-179.6	-82	-32.6	0	0	0	111.8	L786 N787 K847	D783-L786 PolarHBondContact O-N 3.08Å; D783-N787 PolarHBondContact O-N 3.19Å; D783-N787 VanDerWaalsContact O-N 3.14Å; D783-N787 PolarHBondContact O-ND2 2.87Å; D783-K847 IonicContact OD1-NZ 3.95Å; D783-K847 PolarHBondContact OD1-NZ 2.94Å; D783-K847 IonicContact OD2-NZ 3.72Å
784	N	46.1	Very low	53.6	Low	116 Å²	116	87.6 Å²	87.6	62%	0.62	52%	0.515	S	S	*	.	H	α-helix	trans	-67.8	-38.6	179.6	-131.7	20.1	0	0	0	112	S782 L786 N787	S782-N784 VanDerWaalsContact C-N 3.26Å; S782-N784 PolarHBondContact O-N 2.76Å; N784-L786 VanDerWaalsContact C-N 3.31Å; N784-N787 PolarHBondContact O-N 2.75Å
785	S	59.4	Low	56.2	Low	77 Å²	77	91.4 Å²	91.4	54%	0.538	51%	0.513	S	S	.	.	H	α-helix	trans	-70.5	-26.1	174.1	-50.9	0	0	0	0	112.9
786	L	66.4	Low	59	Low	18 Å²	18	86.4 Å²	86.4	9%	0.094	48%	0.478	C	S	.	.	H	α-helix	trans	-74.2	-36.6	175.6	-63.5	178.8	0	0	0	111.7	D783 N784 Q788 A789 F792 L864	D783-L786 PolarHBondContact O-N 3.08Å; N784-L786 VanDerWaalsContact C-N 3.31Å; L786-Q788 PolarHBondContact O-N 3.08Å; L786-A789 WeakPolarHBondContact O-CB 3.32Å; L786-A789 PolarHBondContact O-N 3.3Å; L786-F792 HydrophobicContact CB-CD1 4.11Å; L786-F792 HydrophobicContact CB-CE1 4.26Å; L786-F792 WeakPolarHBondContact O-CB 3.23Å; L786-F792 WeakPolarHBondContact O-CD1 3.39Å; L786-L864 HydrophobicContact CD1-CB 4.06Å; L786-L864 HydrophobicContact CD1-CD2 4.2Å; L786-L864 HydrophobicContact CD2-CB 3.92Å; L786-L864 HydrophobicContact CD2-CD2 4.36Å; L786-L864 HydrophobicContact CD2-CG 4.45Å
787	N	61.5	Low	61.9	Low	100 Å²	100	81.5 Å²	81.5	54%	0.535	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-14.9	176	-65.8	-32.9	0	0	0	113.9	D783 N784	D783-N787 PolarHBondContact O-N 3.19Å; D783-N787 VanDerWaalsContact O-N 3.14Å; D783-N787 PolarHBondContact O-ND2 2.87Å; N784-N787 PolarHBondContact O-N 2.75Å
788	Q	66.2	Low	64.8	Low	132 Å²	132	77.5 Å²	77.5	62%	0.617	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-15.4	173.4	-65.5	174.9	0.3	0	0	112.8	L786 P790	L786-Q788 PolarHBondContact O-N 3.08Å; Q788-P790 WeakPolarHBondContact O-CD 3.27Å
789	A	76.1	Confident	67.6	Low	11 Å²	11	75.7 Å²	75.7	9%	0.091	42%	0.423	C	S	.	.	S	Bend	trans	-75.7	118.4	-179.5	0	0	0	0	0	109.9	L786 W791 F792	L786-A789 WeakPolarHBondContact O-CB 3.32Å; L786-A789 PolarHBondContact O-N 3.3Å; A789-W791 HydrophobicContact CB-CD2 4.22Å; A789-W791 HydrophobicContact CB-CH2 4.25Å; A789-W791 HydrophobicContact CB-CZ2 3.83Å; A789-W791 PolarHBondContact O-N 2.89Å; A789-F792 HydrophobicContact CB-CB 4.3Å; A789-F792 PolarHBondContact O-N 2.83Å
790	P	80.4	Confident	70.3	Confident	68 Å²	68	74.7 Å²	74.7	44%	0.442	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.9	-170.1	24.7	-34.9	0	0	0	113.6	Q788 P885 F893	Q788-P790 WeakPolarHBondContact O-CD 3.27Å; P790-P885 HydrophobicContact CG-CG 4.39Å; P790-F893 HydrophobicContact CB-CB 4.47Å; P790-F893 HydrophobicContact CB-CD1 4.12Å; P790-F893 VanDerWaalsContact O-CD1 3.27Å; P790-F893 WeakPolarHBondContact O-CD1 3.44Å
791	W	86.5	Confident	73.1	Confident	10 Å²	10	70.8 Å²	70.8	4%	0.038	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.8	174.2	52.7	-103.9	0	0	0	114.9	A789 F813 L814 V815 L864 Q865 V868 P885 F893	A789-W791 HydrophobicContact CB-CD2 4.22Å; A789-W791 HydrophobicContact CB-CH2 4.25Å; A789-W791 HydrophobicContact CB-CZ2 3.83Å; A789-W791 PolarHBondContact O-N 2.89Å; W791-F813 HydrophobicContact CB-CD2 4.45Å; W791-F813 HydrophobicContact CB-CE2 3.72Å; W791-F813 HydrophobicContact CB-CZ 3.91Å; W791-F813 AromaticContact CD1-CZ 3.96Å; W791-F813 AromaticContact CD2-CE2 3.87Å; W791-F813 HydrophobicContact CD2-CE2 3.87Å; W791-F813 HydrophobicContact CD2-CZ 4.14Å; W791-F813 HydrophobicContact CE3-CE2 4.1Å; W791-F813 AromaticContact CG-CE2 3.71Å; W791-F813 HydrophobicContact CG-CE2 3.71Å; W791-F813 AromaticContact CG-CZ 3.71Å; W791-F813 HydrophobicContact CG-CZ 3.71Å; W791-L814 CarbonylContact O-C 3.51Å; W791-L814 WeakPolarHBondContact O-CA 3.36Å; W791-V815 HydrophobicContact CE3-CB 4.17Å; W791-V815 HydrophobicContact CE3-CG2 3.92Å; W791-V815 HydrophobicContact CZ3-CB 4.28Å; W791-V815 HydrophobicContact CZ3-CG2 4.03Å; W791-V815 PolarHBondContact O-N 2.77Å; W791-L864 HydrophobicContact CH2-CD2 4.4Å; W791-L864 HydrophobicContact CH2-CG 4.01Å; W791-L864 HydrophobicContact CZ3-CD2 4.01Å; W791-L864 HydrophobicContact CZ3-CG 3.94Å; W791-Q865 VanDerWaalsContact CZ2-OE1 3.32Å; W791-V868 HydrophobicContact CD2-CG1 4.3Å; W791-V868 HydrophobicContact CE3-CG2 4.14Å; W791-V868 HydrophobicContact CH2-CB 4.08Å; W791-V868 HydrophobicContact CH2-CG1 4.41Å; W791-V868 HydrophobicContact CH2-CG2 3.73Å; W791-V868 HydrophobicContact CZ2-CB 4.01Å; W791-V868 HydrophobicContact CZ2-CG1 3.95Å; W791-V868 HydrophobicContact CZ2-CG2 4.12Å; W791-V868 HydrophobicContact CZ3-CG2 3.73Å; W791-P885 HydrophobicContact CB-CG 4.09Å; W791-F893 HydrophobicContact CB-CE1 4.14Å
792	F	89.3	Confident	75.5	Confident	21 Å²	21	66.2 Å²	66.2	9%	0.092	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-101.7	91.2	177.6	-176.5	-108	0	0	0	111	L786 A789 A794 V815 L864	L786-F792 HydrophobicContact CB-CD1 4.11Å; L786-F792 HydrophobicContact CB-CE1 4.26Å; L786-F792 WeakPolarHBondContact O-CB 3.23Å; L786-F792 WeakPolarHBondContact O-CD1 3.39Å; A789-F792 HydrophobicContact CB-CB 4.3Å; A789-F792 PolarHBondContact O-N 2.83Å; F792-A794 HydrophobicContact CE1-CB 3.78Å; F792-A794 HydrophobicContact CZ-CB 3.89Å; F792-V815 CarbonylContact C-O 3.52Å; F792-V815 WeakPolarHBondContact CA-O 3.49Å; F792-V815 HydrophobicContact CD2-CB 4.03Å; F792-V815 HydrophobicContact CD2-CG1 3.89Å; F792-V815 HydrophobicContact CE2-CG1 4.12Å; F792-L864 HydrophobicContact CD2-CD2 3.57Å; F792-L864 HydrophobicContact CE2-CD2 3.67Å; F792-L864 HydrophobicContact CG-CD2 4.45Å
793	Q	85.4	Confident	77.5	Confident	82 Å²	82	68.3 Å²	68.3	38%	0.383	35%	0.351	S	S	.	.			trans	-104.4	80.7	175.6	-175.4	61.9	-57.5	0	0	109.7	M795 L796 V815 R816 I892	Q793-M795 PolarHBondContact O-N 2.74Å; Q793-M795 VanDerWaalsContact O-N 3.08Å; Q793-L796 HydrophobicContact CB-CB 4.25Å; Q793-L796 HydrophobicContact CG-CB 3.82Å; Q793-L796 HydrophobicContact CG-CD1 4.19Å; Q793-L796 HydrophobicContact CG-CD2 4.46Å; Q793-L796 HydrophobicContact CG-CG 4.39Å; Q793-L796 WeakPolarHBondContact O-CB 3.37Å; Q793-L796 PolarHBondContact O-N 3.21Å; Q793-V815 PolarHBondContact N-O 2.84Å; Q793-R816 WeakPolarHBondContact O-CA 3.41Å; Q793-R816 WeakPolarHBondContact O-CB 3.45Å; Q793-I892 HydrophobicContact CG-CG2 4.41Å
794	A	79.2	Confident	79.2	Confident	21 Å²	21	65.9 Å²	65.9	17%	0.174	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-39.8	-173.4	0	0	0	0	0	114	F792 N817	F792-A794 HydrophobicContact CE1-CB 3.78Å; F792-A794 HydrophobicContact CZ-CB 3.89Å; A794-N817 WeakPolarHBondContact O-CB 3.37Å; A794-N817 PolarHBondContact O-N 2.85Å; A794-N817 PolarHBondContact O-ND2 2.71Å
795	M	80.2	Confident	81.1	Confident	158 Å²	158	60.4 Å²	60.4	78%	0.778	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	2.7	-174.2	-65.3	-96.6	61.5	0	0	114.8	Q793 P797	Q793-M795 PolarHBondContact O-N 2.74Å; Q793-M795 VanDerWaalsContact O-N 3.08Å; M795-P797 WeakPolarHBondContact O-CD 3.48Å
796	L	84.8	Confident	82.5	Confident	16 Å²	16	59 Å²	59	8%	0.084	30%	0.302	C	S	.	.			trans	-73	127.1	-173.5	-156.2	64.5	0	0	0	112.9	Q793 I800 A801 L804 L814 R816	Q793-L796 HydrophobicContact CB-CB 4.25Å; Q793-L796 HydrophobicContact CG-CB 3.82Å; Q793-L796 HydrophobicContact CG-CD1 4.19Å; Q793-L796 HydrophobicContact CG-CD2 4.46Å; Q793-L796 HydrophobicContact CG-CG 4.39Å; Q793-L796 WeakPolarHBondContact O-CB 3.37Å; Q793-L796 PolarHBondContact O-N 3.21Å; L796-I800 HydrophobicContact CD1-CB 3.95Å; L796-I800 HydrophobicContact CD1-CG2 3.9Å; L796-I800 HydrophobicContact CG-CB 4.37Å; L796-A801 HydrophobicContact CD2-CB 3.85Å; L796-A801 HydrophobicContact CG-CB 4.38Å; L796-L804 HydrophobicContact CD1-CD1 4.22Å; L796-L804 HydrophobicContact CD2-CD1 3.8Å; L796-L814 HydrophobicContact CD2-CD1 3.73Å; L796-L814 HydrophobicContact CD2-CD2 3.58Å; L796-L814 HydrophobicContact CD2-CG 4.31Å; L796-R816 HydrophobicContact CB-CB 3.86Å; L796-R816 WeakPolarHBondContact O-CD 3.45Å
797	P	86.8	Confident	83.3	Confident	53 Å²	53	64.7 Å²	64.7	34%	0.344	33%	0.326	S	S	.	.			trans	-63.4	166.4	167.4	-20.2	33.6	0	0	0	112.3	M795 E799 I800 A801	M795-P797 WeakPolarHBondContact O-CD 3.48Å; P797-E799 VanDerWaalsContact C-N 3.3Å; P797-E799 WeakPolarHBondContact CB-OE2 3.4Å; P797-I800 HydrophobicContact CB-CG1 4.25Å; P797-I800 HydrophobicContact CG-CD1 3.91Å; P797-I800 HydrophobicContact CG-CG1 4.09Å; P797-A801 WeakPolarHBondContact O-CB 3.23Å; P797-A801 PolarHBondContact O-N 3.03Å
798	R	88.6	Confident	84.4	Confident	110 Å²	110	60.6 Å²	60.6	42%	0.415	30%	0.304	S	S	.	.	H	α-helix	trans	-71.6	-32.1	179.3	179.9	178.2	-171.2	178	-3.9	111.6	A801 F802 H842	R798-A801 WeakPolarHBondContact O-CB 3.35Å; R798-A801 PolarHBondContact O-N 2.9Å; R798-F802 HydrophobicContact CG-CD2 4.05Å; R798-F802 HydrophobicContact CG-CE2 3.96Å; R798-F802 VanDerWaalsContact O-CD2 3.31Å; R798-F802 WeakPolarHBondContact O-CD2 3.22Å; R798-F802 PolarHBondContact O-N 3.19Å; R798-H842 PolarHBondContact NE-CD2 2.91Å; R798-H842 VanDerWaalsContact NE-CD2 3.29Å; R798-H842 PolarHBondContact NE-NE2 3.02Å; R798-H842 PolarHBondContact NH2-CD2 2.7Å; R798-H842 VanDerWaalsContact NH2-CD2 3.29Å
799	E	88.4	Confident	85.5	Confident	129 Å²	129	58.6 Å²	58.6	60%	0.603	29%	0.294	S	S	*	.	H	α-helix	trans	-71.9	-48.1	-172.6	-59.3	63.6	-138.3	0	0	109.6	P797 A801 F802 E803	P797-E799 VanDerWaalsContact C-N 3.3Å; P797-E799 WeakPolarHBondContact CB-OE2 3.4Å; E799-A801 VanDerWaalsContact C-N 3.35Å; E799-F802 WeakPolarHBondContact O-CB 3.34Å; E799-F802 PolarHBondContact O-N 2.84Å; E799-E803 PolarHBondContact O-N 2.93Å; E799-E803 VanDerWaalsContact O-N 3.13Å
800	I	86	Confident	86.2	Confident	75 Å²	75	60.7 Å²	60.7	39%	0.385	31%	0.306	S	S	.	.	H	α-helix	trans	-66.1	-40.3	173.8	-44.3	-172.1	0	0	0	109.9	L796 P797 F802 E803 L804	L796-I800 HydrophobicContact CD1-CB 3.95Å; L796-I800 HydrophobicContact CD1-CG2 3.9Å; L796-I800 HydrophobicContact CG-CB 4.37Å; P797-I800 HydrophobicContact CB-CG1 4.25Å; P797-I800 HydrophobicContact CG-CD1 3.91Å; P797-I800 HydrophobicContact CG-CG1 4.09Å; I800-F802 VanDerWaalsContact C-N 3.27Å; I800-F802 PolarHBondContact O-N 2.91Å; I800-E803 PolarHBondContact O-N 2.83Å; I800-E803 VanDerWaalsContact O-N 3.12Å; I800-L804 HydrophobicContact CG2-CD1 3.81Å; I800-L804 HydrophobicContact CG2-CG 4.21Å; I800-L804 VanDerWaalsContact O-CD1 3.29Å; I800-L804 WeakPolarHBondContact O-CD1 3.48Å; I800-L804 WeakPolarHBondContact O-CG 3.2Å; I800-L804 PolarHBondContact O-N 3.23Å
801	A	89.1	Confident	86.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.5	-34	174.8	0	0	0	0	0	113.5	L796 P797 R798 E799 L805 L814	L796-A801 HydrophobicContact CD2-CB 3.85Å; L796-A801 HydrophobicContact CG-CB 4.38Å; P797-A801 WeakPolarHBondContact O-CB 3.23Å; P797-A801 PolarHBondContact O-N 3.03Å; R798-A801 WeakPolarHBondContact O-CB 3.35Å; R798-A801 PolarHBondContact O-N 2.9Å; E799-A801 VanDerWaalsContact C-N 3.35Å; A801-L805 WeakPolarHBondContact O-CB 3.3Å; A801-L805 WeakPolarHBondContact O-CG 3.2Å; A801-L805 PolarHBondContact O-N 2.84Å; A801-L814 HydrophobicContact CB-CD1 3.98Å; A801-L814 HydrophobicContact CB-CD2 4.15Å
802	F	88.8	Confident	86.8	Confident	52 Å²	52	57.1 Å²	57.1	23%	0.228	28%	0.284	C	S	.	.	H	α-helix	trans	-64.8	-51.9	169.9	-90.6	-68.1	0	0	0	111.4	R798 E799 I800 L804 L805 A806 I838 I840 H842	R798-F802 HydrophobicContact CG-CD2 4.05Å; R798-F802 HydrophobicContact CG-CE2 3.96Å; R798-F802 VanDerWaalsContact O-CD2 3.31Å; R798-F802 WeakPolarHBondContact O-CD2 3.22Å; R798-F802 PolarHBondContact O-N 3.19Å; E799-F802 WeakPolarHBondContact O-CB 3.34Å; E799-F802 PolarHBondContact O-N 2.84Å; I800-F802 VanDerWaalsContact C-N 3.27Å; I800-F802 PolarHBondContact O-N 2.91Å; F802-L804 VanDerWaalsContact C-N 3.28Å; F802-L804 PolarHBondContact O-N 2.93Å; F802-L805 PolarHBondContact O-N 3.01Å; F802-A806 VanDerWaalsContact O-CB 3.25Å; F802-A806 WeakPolarHBondContact O-CB 3.4Å; F802-A806 PolarHBondContact O-N 3.46Å; F802-I838 HydrophobicContact CD1-CG2 4.21Å; F802-I838 HydrophobicContact CE1-CG2 3.7Å; F802-I840 HydrophobicContact CD1-CB 3.75Å; F802-I840 HydrophobicContact CD1-CD1 3.82Å; F802-I840 HydrophobicContact CD1-CG1 4.39Å; F802-I840 HydrophobicContact CD1-CG2 3.68Å; F802-I840 HydrophobicContact CE1-CB 3.77Å; F802-I840 HydrophobicContact CE1-CG2 3.79Å; F802-I840 WeakPolarHBondContact O-CD1 3.42Å; F802-H842 AromaticContact CD2-NE2 3.82Å; F802-H842 AromaticContact CE1-NE2 3.82Å; F802-H842 AromaticContact CE2-CE1 3.93Å; F802-H842 AromaticContact CE2-NE2 3.19Å; F802-H842 WeakPolarHBondContact CE2-NE2 3.25Å; F802-H842 AromaticContact CZ-NE2 3.19Å; F802-H842 WeakPolarHBondContact CZ-NE2 3.46Å
803	E	86.7	Confident	86.9	Confident	113 Å²	113	56.2 Å²	56.2	53%	0.528	28%	0.28	S	S	.	.	H	α-helix	trans	-61.3	-36.2	-175	-158.8	-151.5	133.5	0	0	113	E799 I800 K807	E799-E803 PolarHBondContact O-N 2.93Å; E799-E803 VanDerWaalsContact O-N 3.13Å; I800-E803 PolarHBondContact O-N 2.83Å; I800-E803 VanDerWaalsContact O-N 3.12Å; E803-K807 WeakPolarHBondContact O-CE 3.49Å; E803-K807 IonicContact OE1-NZ 2.65Å; E803-K807 PolarHBondContact OE1-NZ 3.15Å
804	L	86.9	Confident	87.2	Confident	22 Å²	22	52.5 Å²	52.5	12%	0.115	26%	0.263	C	S	.	.	H	α-helix	trans	-70.8	-54.7	178.1	-64.4	158.6	0	0	0	111.3	L796 I800 F802 A806 K807 L814 I892	L796-L804 HydrophobicContact CD1-CD1 4.22Å; L796-L804 HydrophobicContact CD2-CD1 3.8Å; I800-L804 HydrophobicContact CG2-CD1 3.81Å; I800-L804 HydrophobicContact CG2-CG 4.21Å; I800-L804 VanDerWaalsContact O-CD1 3.29Å; I800-L804 WeakPolarHBondContact O-CD1 3.48Å; I800-L804 WeakPolarHBondContact O-CG 3.2Å; I800-L804 PolarHBondContact O-N 3.23Å; F802-L804 VanDerWaalsContact C-N 3.28Å; F802-L804 PolarHBondContact O-N 2.93Å; L804-A806 PolarHBondContact O-N 3.34Å; L804-K807 PolarHBondContact O-N 3.23Å; L804-K807 VanDerWaalsContact O-N 3.08Å; L804-L814 HydrophobicContact CD1-CD2 4.45Å; L804-I892 HydrophobicContact CD1-CD1 3.4Å; L804-I892 VanDerWaalsContact CD1-CD1 3.4Å; L804-I892 HydrophobicContact CD2-CD1 3.64Å; L804-I892 HydrophobicContact CD2-CG1 4.39Å; L804-I892 HydrophobicContact CG-CD1 4.16Å
805	L	87.6	Confident	87.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-19.1	-179	-67.6	174.4	0	0	0	112.4	A801 F802 K807 E808 L814 S828 R830 I840	A801-L805 WeakPolarHBondContact O-CB 3.3Å; A801-L805 WeakPolarHBondContact O-CG 3.2Å; A801-L805 PolarHBondContact O-N 2.84Å; F802-L805 PolarHBondContact O-N 3.01Å; L805-K807 PolarHBondContact O-N 2.96Å; L805-E808 PolarHBondContact O-N 3.36Å; L805-L814 HydrophobicContact CD1-CD2 4.27Å; L805-L814 HydrophobicContact CD1-CG 4.27Å; L805-L814 HydrophobicContact CD2-CD2 4.39Å; L805-L814 HydrophobicContact CG-CD2 4.11Å; L805-S828 WeakPolarHBondContact CD1-O 3.45Å; L805-R830 HydrophobicContact CB-CB 4.39Å; L805-R830 WeakPolarHBondContact O-CD 3.28Å; L805-R830 WeakPolarHBondContact O-CG 3.35Å; L805-R830 PolarHBondContact O-NE 3.41Å; L805-I840 HydrophobicContact CB-CD1 3.8Å; L805-I840 HydrophobicContact CB-CG1 4.07Å; L805-I840 HydrophobicContact CD1-CG2 4.22Å
806	A	86.9	Confident	88.4	Confident	49 Å²	49	44.4 Å²	44.4	41%	0.405	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-21.9	174.8	0	0	0	0	0	113.1	F802 L804 R830 I840	F802-A806 VanDerWaalsContact O-CB 3.25Å; F802-A806 WeakPolarHBondContact O-CB 3.4Å; F802-A806 PolarHBondContact O-N 3.46Å; L804-A806 PolarHBondContact O-N 3.34Å; A806-R830 PolarHBondContact O-NH2 3.27Å; A806-I840 HydrophobicContact CB-CD1 3.99Å
807	K	84.5	Confident	88.7	Confident	137 Å²	137	47 Å²	47	60%	0.596	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-18.9	178.4	-60.7	168.1	-166.3	173.4	0	112.3	E803 L804 L805	E803-K807 WeakPolarHBondContact O-CE 3.49Å; E803-K807 IonicContact OE1-NZ 2.65Å; E803-K807 PolarHBondContact OE1-NZ 3.15Å; L804-K807 PolarHBondContact O-N 3.23Å; L804-K807 VanDerWaalsContact O-N 3.08Å; L805-K807 PolarHBondContact O-N 2.96Å
808	E	85.2	Confident	88.7	Confident	13 Å²	13	45.1 Å²	45.1	6%	0.061	22%	0.221	C	C	.	.	S	Bend	trans	-89.4	165	-179	-63.5	-63.9	116.3	0	0	113.3	L805 R830 T888 T889 N890	L805-E808 PolarHBondContact O-N 3.36Å; E808-R830 WeakPolarHBondContact O-CG 3.48Å; E808-R830 PolarHBondContact O-NE 3.49Å; E808-T888 WeakPolarHBondContact OE2-CA 3.4Å; E808-T888 WeakPolarHBondContact OE2-CB 3.34Å; E808-T889 VanDerWaalsContact OE1-C 3.3Å; E808-T889 WeakPolarHBondContact OE1-CB 3.36Å; E808-T889 PolarHBondContact OE1-N 3.21Å; E808-T889 PolarHBondContact OE1-OG1 3.07Å; E808-T889 PolarHBondContact OE2-N 3.42Å; E808-N890 HydrophobicContact CG-CB 3.91Å; E808-N890 WeakPolarHBondContact OE1-CA 3.43Å; E808-N890 WeakPolarHBondContact OE1-CB 3.43Å; E808-N890 PolarHBondContact OE1-N 2.95Å; E808-N890 PolarHBondContact OE2-N 2.99Å
809	E	87.7	Confident	88.5	Confident	90 Å²	90	44.4 Å²	44.4	42%	0.421	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-80.1	162.4	178.4	59.8	147.6	-160.3	0	0	114.2	G811 S812 R830 K883	E809-G811 PolarHBondContact O-N 3.35Å; E809-S812 WeakPolarHBondContact O-CB 3.39Å; E809-S812 PolarHBondContact O-N 2.83Å; E809-S812 VanDerWaalsContact O-N 3.1Å; E809-S812 PolarHBondContact O-OG 2.84Å; E809-R830 WeakPolarHBondContact O-CG 3.38Å; E809-K883 WeakPolarHBondContact OE1-CD 3.42Å; E809-K883 WeakPolarHBondContact OE1-CE 3.13Å; E809-K883 IonicContact OE1-NZ 3.47Å; E809-K883 PolarHBondContact OE1-NZ 3.01Å; E809-K883 IonicContact OE2-NZ 3.42Å; E809-K883 PolarHBondContact OE2-NZ 2.94Å
810	V	90.5	Very high	88.3	Confident	56 Å²	56	42.9 Å²	42.9	34%	0.339	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	133	178.2	175.3	0	0	0	0	111.5	R830 P832 C880 K883	V810-R830 WeakPolarHBondContact CA-O 3.31Å; V810-P832 HydrophobicContact CG1-CB 4.49Å; V810-P832 HydrophobicContact CG1-CG 3.78Å; V810-P832 HydrophobicContact CG2-CB 4.46Å; V810-C880 HydrophobicContact CG1-CB 4.37Å; V810-K883 WeakPolarHBondContact O-CD 3.23Å; V810-K883 WeakPolarHBondContact O-CE 3.37Å; V810-K883 PolarHBondContact O-NZ 3.27Å
811	G	89.4	Confident	88.2	Confident	2 Å²	2	43.2 Å²	43.2	2%	0.021	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	98	-18.6	-172.7	0	0	0	0	0	113.6	E809 R830 K883	E809-G811 PolarHBondContact O-N 3.35Å; G811-R830 PolarHBondContact N-O 2.94Å; G811-K883 PolarHBondContact O-N 3.5Å
812	S	90.5	Very high	88	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-64.5	142.8	177	-53.9	0	0	0	0	111.4	E809 R830	E809-S812 WeakPolarHBondContact O-CB 3.39Å; E809-S812 PolarHBondContact O-N 2.83Å; E809-S812 VanDerWaalsContact O-N 3.1Å; E809-S812 PolarHBondContact O-OG 2.84Å; S812-R830 WeakPolarHBondContact O-CB 3.42Å; S812-R830 PolarHBondContact O-N 3.45Å
813	F	92.5	Very high	87.7	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.009	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	166.1	-174.3	77	-81.3	0	0	0	113.3	W791 L827 S828 V829 V868 L882 K883 L884	W791-F813 HydrophobicContact CB-CD2 4.45Å; W791-F813 HydrophobicContact CB-CE2 3.72Å; W791-F813 HydrophobicContact CB-CZ 3.91Å; W791-F813 AromaticContact CD1-CZ 3.96Å; W791-F813 AromaticContact CD2-CE2 3.87Å; W791-F813 HydrophobicContact CD2-CE2 3.87Å; W791-F813 HydrophobicContact CD2-CZ 4.14Å; W791-F813 HydrophobicContact CE3-CE2 4.1Å; W791-F813 AromaticContact CG-CE2 3.71Å; W791-F813 HydrophobicContact CG-CE2 3.71Å; W791-F813 AromaticContact CG-CZ 3.71Å; W791-F813 HydrophobicContact CG-CZ 3.71Å; F813-L827 HydrophobicContact CB-CD1 4.17Å; F813-L827 HydrophobicContact CD2-CD1 3.64Å; F813-L827 HydrophobicContact CG-CD1 4.25Å; F813-S828 CarbonylContact C-O 3.56Å; F813-S828 VanDerWaalsContact CA-O 3.23Å; F813-S828 WeakPolarHBondContact CA-O 3.38Å; F813-S828 WeakPolarHBondContact CB-O 3.22Å; F813-V829 HydrophobicContact CB-CG1 4.48Å; F813-V829 HydrophobicContact CB-CG2 4.27Å; F813-V868 HydrophobicContact CE1-CG1 4.41Å; F813-V868 HydrophobicContact CE2-CG1 3.68Å; F813-V868 HydrophobicContact CE2-CG2 4.19Å; F813-V868 HydrophobicContact CZ-CG1 3.4Å; F813-L882 HydrophobicContact CB-CD2 3.87Å; F813-L882 HydrophobicContact CD1-CB 3.69Å; F813-L882 HydrophobicContact CD1-CD1 4.13Å; F813-L882 HydrophobicContact CD1-CD2 4.12Å; F813-L882 HydrophobicContact CD1-CG 4.19Å; F813-L882 HydrophobicContact CD2-CD1 4.06Å; F813-L882 HydrophobicContact CE1-CB 3.85Å; F813-L882 HydrophobicContact CE1-CD1 4.27Å; F813-L882 HydrophobicContact CE2-CD1 4.22Å; F813-L882 HydrophobicContact CG-CB 4.33Å; F813-L882 HydrophobicContact CG-CD1 4.03Å; F813-L882 HydrophobicContact CG-CD2 3.97Å; F813-L882 HydrophobicContact CG-CG 4.34Å; F813-L882 HydrophobicContact CZ-CD1 4.33Å; F813-K883 VanDerWaalsContact CD1-O 3.28Å; F813-K883 WeakPolarHBondContact CD1-O 3.36Å; F813-K883 WeakPolarHBondContact CE1-O 3.48Å; F813-L884 HydrophobicContact CE1-CD2 4.33Å; F813-L884 HydrophobicContact CZ-CD2 4.23Å
814	L	91.6	Very high	87.8	Confident	5 Å²	5	45.6 Å²	45.6	3%	0.026	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.5	164.7	63	87.7	0	0	0	110.3	W791 L796 A801 L804 L805 R816 S828	W791-L814 CarbonylContact O-C 3.51Å; W791-L814 WeakPolarHBondContact O-CA 3.36Å; L796-L814 HydrophobicContact CD2-CD1 3.73Å; L796-L814 HydrophobicContact CD2-CD2 3.58Å; L796-L814 HydrophobicContact CD2-CG 4.31Å; A801-L814 HydrophobicContact CB-CD1 3.98Å; A801-L814 HydrophobicContact CB-CD2 4.15Å; L804-L814 HydrophobicContact CD1-CD2 4.45Å; L805-L814 HydrophobicContact CD1-CD2 4.27Å; L805-L814 HydrophobicContact CD1-CG 4.27Å; L805-L814 HydrophobicContact CD2-CD2 4.39Å; L805-L814 HydrophobicContact CG-CD2 4.11Å; L814-R816 HydrophobicContact CD1-CB 4.06Å; L814-R816 HydrophobicContact CD1-CG 4.11Å; L814-S828 PolarHBondContact N-O 2.82Å; L814-S828 PolarHBondContact O-N 2.76Å
815	V	93	Very high	88	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.4	170.2	-176.9	0	0	0	0	108.8	W791 F792 Q793 C825 L827 I845 L864 V868	W791-V815 HydrophobicContact CE3-CB 4.17Å; W791-V815 HydrophobicContact CE3-CG2 3.92Å; W791-V815 HydrophobicContact CZ3-CB 4.28Å; W791-V815 HydrophobicContact CZ3-CG2 4.03Å; W791-V815 PolarHBondContact O-N 2.77Å; F792-V815 CarbonylContact C-O 3.52Å; F792-V815 WeakPolarHBondContact CA-O 3.49Å; F792-V815 HydrophobicContact CD2-CB 4.03Å; F792-V815 HydrophobicContact CD2-CG1 3.89Å; F792-V815 HydrophobicContact CE2-CG1 4.12Å; Q793-V815 PolarHBondContact N-O 2.84Å; V815-C825 HydrophobicContact CG1-CB 3.9Å; V815-L827 HydrophobicContact CG2-CB 4.49Å; V815-L827 HydrophobicContact CG2-CD1 3.78Å; V815-I845 HydrophobicContact CG1-CD1 4.25Å; V815-I845 HydrophobicContact CG2-CD1 4.42Å; V815-L864 HydrophobicContact CG1-CD1 4.28Å; V815-L864 HydrophobicContact CG1-CD2 4.08Å; V815-V868 HydrophobicContact CG2-CG2 4.26Å
816	R	91.7	Very high	88.3	Confident	9 Å²	9	45 Å²	45	3%	0.034	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	169	-178.2	63.4	-171.4	-177	76.4	6.8	110.3	Q793 L796 L814 C825 A826 S828	Q793-R816 WeakPolarHBondContact O-CA 3.41Å; Q793-R816 WeakPolarHBondContact O-CB 3.45Å; L796-R816 HydrophobicContact CB-CB 3.86Å; L796-R816 WeakPolarHBondContact O-CD 3.45Å; L814-R816 HydrophobicContact CD1-CB 4.06Å; L814-R816 HydrophobicContact CD1-CG 4.11Å; R816-C825 CarbonylContact O-C 3.56Å; R816-C825 WeakPolarHBondContact O-CA 3.14Å; R816-A826 HydrophobicContact CG-CB 4.22Å; R816-A826 PolarHBondContact N-O 3.29Å; R816-A826 VanDerWaalsContact N-O 3.08Å; R816-A826 PolarHBondContact O-N 2.94Å; R816-S828 PolarHBondContact NE-OG 2.97Å
817	N	90	Very high	88.6	Confident	71 Å²	71	42.6 Å²	42.6	38%	0.38	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	147.2	171.2	-68.8	-23.8	0	0	0	111.4	A794 A819	A794-N817 WeakPolarHBondContact O-CB 3.37Å; A794-N817 PolarHBondContact O-N 2.85Å; A794-N817 PolarHBondContact O-ND2 2.71Å; N817-A819 PolarHBondContact O-N 3.38Å
818	S	88	Confident	89	Confident	12 Å²	12	36.1 Å²	36.1	8%	0.084	23%	0.231	C	C	.	.			trans	-87.4	104.7	179.3	-170	0	0	0	0	111.6	T820 H821 C824 L844	S818-T820 PolarHBondContact O-N 2.65Å; S818-T820 VanDerWaalsContact O-N 3.15Å; S818-T820 PolarHBondContact OG-OG1 3.4Å; S818-H821 CarbonylContact O-C 3.59Å; S818-H821 PolarHBondContact O-N 3Å; S818-H821 VanDerWaalsContact O-N 3.12Å; S818-C824 VanDerWaalsContact CB-O 3.25Å; S818-C824 WeakPolarHBondContact CB-O 3.29Å; S818-C824 PolarHBondContact N-O 2.79Å; S818-L844 WeakPolarHBondContact OG-CD1 3.45Å
819	A	84.1	Confident	89.4	Confident	96 Å²	96	35.5 Å²	35.5	79%	0.793	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.2	174.9	0	0	0	0	0	114	N817	N817-A819 PolarHBondContact O-N 3.38Å
820	T	84.3	Confident	89.6	Confident	97 Å²	97	33.2 Å²	33.2	60%	0.595	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-14.6	179	64.4	0	0	0	0	113.8	S818	S818-T820 PolarHBondContact O-N 2.65Å; S818-T820 VanDerWaalsContact O-N 3.15Å; S818-T820 PolarHBondContact OG-OG1 3.4Å
821	H	84.3	Confident	89.7	Confident	81 Å²	81	30.5 Å²	30.5	38%	0.375	20%	0.2	S	C	.	.	S	Bend	trans	-142.7	88.5	-173.1	-66.4	-36.8	0	0	0	109.7	S818 C824 L844	S818-H821 CarbonylContact O-C 3.59Å; S818-H821 PolarHBondContact O-N 3Å; S818-H821 VanDerWaalsContact O-N 3.12Å; H821-C824 HydrophobicContact CB-CB 4.06Å; H821-C824 WeakPolarHBondContact O-CB 3.42Å; H821-C824 PolarHBondContact O-N 3.12Å; H821-C824 VanDerWaalsContact O-N 3.11Å; H821-L844 HydrophobicContact CB-CD1 4.12Å; H821-L844 HydrophobicContact CB-CD2 4.22Å; H821-L844 VanDerWaalsContact CD2-CD2 3.41Å; H821-L844 WeakPolarHBondContact CD2-CD2 3.34Å
822	P	83.2	Confident	89.6	Confident	127 Å²	127	31.9 Å²	31.9	83%	0.825	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	145	-179.6	24	-33.8	0	0	0	111.5	C824	P822-C824 PolarHBondContact O-N 3.15Å
823	G	82.4	Confident	89.5	Confident	66 Å²	66	36.9 Å²	36.9	68%	0.68	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	-10.3	-173.8	0	0	0	0	0	115.4
824	C	89.3	Confident	89.2	Confident	22 Å²	22	43.9 Å²	43.9	15%	0.149	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	145.8	174.4	-61.7	0	0	0	0	111.8	S818 H821 P822 L844 I845	S818-C824 VanDerWaalsContact CB-O 3.25Å; S818-C824 WeakPolarHBondContact CB-O 3.29Å; S818-C824 PolarHBondContact N-O 2.79Å; H821-C824 HydrophobicContact CB-CB 4.06Å; H821-C824 WeakPolarHBondContact O-CB 3.42Å; H821-C824 PolarHBondContact O-N 3.12Å; H821-C824 VanDerWaalsContact O-N 3.11Å; P822-C824 PolarHBondContact O-N 3.15Å; C824-L844 HydrophobicContact CB-CD1 3.71Å; C824-L844 HydrophobicContact CB-CD2 3.99Å; C824-L844 HydrophobicContact CB-CG 3.84Å; C824-I845 WeakPolarHBondContact CA-O 3.42Å; C824-I845 WeakPolarHBondContact CB-O 3.25Å
825	C	92.3	Very high	88.9	Confident	5 Å²	5	47.3 Å²	47.3	3%	0.034	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	161.2	167.7	-55.6	0	0	0	0	109.9	V815 R816 L844 I845	V815-C825 HydrophobicContact CG1-CB 3.9Å; R816-C825 CarbonylContact O-C 3.56Å; R816-C825 WeakPolarHBondContact O-CA 3.14Å; C825-L844 WeakPolarHBondContact O-CD1 3.3Å; C825-I845 HydrophobicContact CB-CB 4.15Å; C825-I845 PolarHBondContact N-O 2.85Å; C825-I845 PolarHBondContact O-N 2.8Å
826	A	93	Very high	88.5	Confident	4 Å²	4	48.7 Å²	48.7	3%	0.033	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	114.7	175.2	0	0	0	0	0	109.5	R816 Y843	R816-A826 HydrophobicContact CG-CB 4.22Å; R816-A826 PolarHBondContact N-O 3.29Å; R816-A826 VanDerWaalsContact N-O 3.08Å; R816-A826 PolarHBondContact O-N 2.94Å; A826-Y843 CarbonylContact C-O 3.59Å; A826-Y843 WeakPolarHBondContact CA-O 3.49Å
827	L	93.6	Very high	88.1	Confident	0 Å²	0	54 Å²	54	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	127.1	166.9	174.3	64.6	0	0	0	108	F813 V815 V829 H842 Y843 I845 L854 L871 L878 L882	F813-L827 HydrophobicContact CB-CD1 4.17Å; F813-L827 HydrophobicContact CD2-CD1 3.64Å; F813-L827 HydrophobicContact CG-CD1 4.25Å; V815-L827 HydrophobicContact CG2-CB 4.49Å; V815-L827 HydrophobicContact CG2-CD1 3.78Å; L827-V829 HydrophobicContact CD1-CG2 4.04Å; L827-V829 HydrophobicContact CD2-CG2 4Å; L827-V829 HydrophobicContact CG-CG2 3.67Å; L827-H842 CarbonylContact O-C 3.59Å; L827-H842 VanDerWaalsContact O-CA 3.23Å; L827-H842 WeakPolarHBondContact O-CA 3.41Å; L827-Y843 PolarHBondContact N-O 3.29Å; L827-Y843 PolarHBondContact O-N 3.18Å; L827-I845 HydrophobicContact CB-CD1 3.89Å; L827-I845 HydrophobicContact CB-CG1 4.29Å; L827-L854 HydrophobicContact CD2-CD1 4.39Å; L827-L871 HydrophobicContact CD2-CD1 3.83Å; L827-L878 HydrophobicContact CD2-CD1 4.37Å; L827-L878 HydrophobicContact CD2-CD2 4.37Å; L827-L882 HydrophobicContact CD1-CD1 4.17Å; L827-L882 HydrophobicContact CD2-CD1 4.33Å
828	S	92.8	Very high	87.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.7	177.3	-52.3	0	0	0	0	107.8	L805 F813 L814 R816 H842	L805-S828 WeakPolarHBondContact CD1-O 3.45Å; F813-S828 CarbonylContact C-O 3.56Å; F813-S828 VanDerWaalsContact CA-O 3.23Å; F813-S828 WeakPolarHBondContact CA-O 3.38Å; F813-S828 WeakPolarHBondContact CB-O 3.22Å; L814-S828 PolarHBondContact N-O 2.82Å; L814-S828 PolarHBondContact O-N 2.76Å; R816-S828 PolarHBondContact NE-OG 2.97Å; S828-H842 WeakPolarHBondContact CB-ND1 3.31Å; S828-H842 PolarHBondContact OG-ND1 3.45Å
829	V	93	Very high	87.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.3	-169.8	-168.4	0	0	0	0	110.6	F813 L827 V831 I840 T841 Y843 L878 L882	F813-V829 HydrophobicContact CB-CG1 4.48Å; F813-V829 HydrophobicContact CB-CG2 4.27Å; L827-V829 HydrophobicContact CD1-CG2 4.04Å; L827-V829 HydrophobicContact CD2-CG2 4Å; L827-V829 HydrophobicContact CG-CG2 3.67Å; V829-V831 HydrophobicContact CB-CG1 4.34Å; V829-V831 HydrophobicContact CG1-CG1 4.21Å; V829-V831 PolarHBondContact O-N 3.32Å; V829-I840 WeakPolarHBondContact O-CA 3.32Å; V829-T841 PolarHBondContact N-O 3.03Å; V829-T841 PolarHBondContact O-N 3.03Å; V829-Y843 HydrophobicContact CG2-CD2 4.36Å; V829-Y843 HydrophobicContact CG2-CE2 4.45Å; V829-L878 HydrophobicContact CG2-CD2 4.42Å; V829-L882 HydrophobicContact CB-CD2 4.44Å; V829-L882 HydrophobicContact CG1-CD2 3.75Å; V829-L882 HydrophobicContact CG2-CD2 3.77Å
830	R	92.3	Very high	88.1	Confident	42 Å²	42	51 Å²	51	16%	0.158	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	104.7	169.9	-176.5	48.1	155.7	174.4	-5.4	109.2	L805 A806 E808 E809 V810 G811 S812 G839	L805-R830 HydrophobicContact CB-CB 4.39Å; L805-R830 WeakPolarHBondContact O-CD 3.28Å; L805-R830 WeakPolarHBondContact O-CG 3.35Å; L805-R830 PolarHBondContact O-NE 3.41Å; A806-R830 PolarHBondContact O-NH2 3.27Å; E808-R830 WeakPolarHBondContact O-CG 3.48Å; E808-R830 PolarHBondContact O-NE 3.49Å; E809-R830 WeakPolarHBondContact O-CG 3.38Å; V810-R830 WeakPolarHBondContact CA-O 3.31Å; G811-R830 PolarHBondContact N-O 2.94Å; S812-R830 WeakPolarHBondContact O-CB 3.42Å; S812-R830 PolarHBondContact O-N 3.45Å; R830-G839 CarbonylContact C-O 3.6Å; R830-G839 WeakPolarHBondContact CA-O 3.19Å; R830-G839 WeakPolarHBondContact CD-O 3.44Å; R830-G839 PolarHBondContact NH1-O 2.76Å
831	V	91.7	Very high	88.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.276	C	S	.	.			trans	-104.8	160.4	-177.7	-62.5	0	0	0	0	110.5	V829 N836 G839 T841 P879	V829-V831 HydrophobicContact CB-CG1 4.34Å; V829-V831 HydrophobicContact CG1-CG1 4.21Å; V829-V831 PolarHBondContact O-N 3.32Å; V831-N836 HydrophobicContact CG2-CB 3.78Å; V831-G839 PolarHBondContact N-O 3.26Å; V831-G839 CarbonylContact O-C 3.49Å; V831-G839 WeakPolarHBondContact O-CA 3.46Å; V831-T841 WeakPolarHBondContact CG2-OG1 3.36Å; V831-P879 HydrophobicContact CB-CB 4.49Å; V831-P879 HydrophobicContact CB-CG 4.38Å; V831-P879 HydrophobicContact CG1-CB 4.39Å; V831-P879 HydrophobicContact CG1-CG 4.03Å
832	P	89.1	Confident	88.9	Confident	30 Å²	30	45.8 Å²	45.8	20%	0.195	27%	0.266	C	S	.	.			trans	-65.5	143.2	176.1	-6.1	18.3	0	0	0	111.4	V810 K834 D835	V810-P832 HydrophobicContact CG1-CB 4.49Å; V810-P832 HydrophobicContact CG1-CG 3.78Å; V810-P832 HydrophobicContact CG2-CB 4.46Å; P832-K834 HydrophobicContact CB-CD 4.35Å; P832-K834 HydrophobicContact CB-CG 4.19Å; P832-K834 PolarHBondContact O-N 3.45Å; P832-D835 VanDerWaalsContact CD-OD2 3.28Å; P832-D835 WeakPolarHBondContact CD-OD2 3.41Å; P832-D835 WeakPolarHBondContact CG-OD2 3.21Å; P832-D835 PolarHBondContact O-N 3.43Å
833	N	87.7	Confident	89.3	Confident	106 Å²	106	41.7 Å²	41.7	57%	0.567	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-15.3	-176.8	-66.1	7.1	0	0	0	114.5	D835 N836 G839	N833-D835 VanDerWaalsContact C-N 3.34Å; N833-N836 CarbonylContact C-O 3.55Å; N833-N836 WeakPolarHBondContact CA-O 3.23Å; N833-N836 CarbonylContact O-C 3.55Å; N833-G839 WeakPolarHBondContact OD1-CA 3.19Å
834	K	86.7	Confident	89.8	Confident	148 Å²	148	39.7 Å²	39.7	64%	0.643	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-30	174.4	80.6	-168.5	-179.2	175.1	0	112.8	P832	P832-K834 HydrophobicContact CB-CD 4.35Å; P832-K834 HydrophobicContact CB-CG 4.19Å; P832-K834 PolarHBondContact O-N 3.45Å
835	D	83.7	Confident	90.1	Very high	78 Å²	78	38.7 Å²	38.7	42%	0.417	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-20.7	-173.9	-51.4	-63.1	0	0	0	111.6	P832 N833 P879	P832-D835 VanDerWaalsContact CD-OD2 3.28Å; P832-D835 WeakPolarHBondContact CD-OD2 3.41Å; P832-D835 WeakPolarHBondContact CG-OD2 3.21Å; P832-D835 PolarHBondContact O-N 3.43Å; N833-D835 VanDerWaalsContact C-N 3.34Å; D835-P879 HydrophobicContact CB-CB 3.9Å; D835-P879 HydrophobicContact CB-CG 3.96Å
836	N	84.4	Confident	90	Very high	29 Å²	29	41.1 Å²	41.1	16%	0.155	21%	0.212	C	C	.	.			trans	-156.5	123.2	173.7	173.2	-12.7	0	0	0	108.4	V831 N833 I838 G839 I840 T841	V831-N836 HydrophobicContact CG2-CB 3.78Å; N833-N836 CarbonylContact C-O 3.55Å; N833-N836 WeakPolarHBondContact CA-O 3.23Å; N833-N836 CarbonylContact O-C 3.55Å; N836-I838 PolarHBondContact O-N 3.14Å; N836-I838 VanDerWaalsContact O-N 3.15Å; N836-I838 WeakPolarHBondContact OD1-CB 3.22Å; N836-I838 PolarHBondContact OD1-N 3.3Å; N836-G839 WeakPolarHBondContact O-CA 3.31Å; N836-G839 PolarHBondContact O-N 2.64Å; N836-I840 VanDerWaalsContact ND2-C 3.3Å; N836-I840 PolarHBondContact ND2-O 2.93Å; N836-T841 PolarHBondContact ND2-OG1 2.68Å
837	P	84.5	Confident	89.8	Confident	120 Å²	120	46.2 Å²	46.2	78%	0.779	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.7	-175.8	26.8	-35.6	0	0	0	114.4	G839	P837-G839 VanDerWaalsContact C-N 3.29Å
838	I	84	Confident	89.6	Confident	110 Å²	110	47.7 Å²	47.7	56%	0.564	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-14.3	174	-44.8	176.4	0	0	0	110.6	F802 N836 I840	F802-I838 HydrophobicContact CD1-CG2 4.21Å; F802-I838 HydrophobicContact CE1-CG2 3.7Å; N836-I838 PolarHBondContact O-N 3.14Å; N836-I838 VanDerWaalsContact O-N 3.15Å; N836-I838 WeakPolarHBondContact OD1-CB 3.22Å; N836-I838 PolarHBondContact OD1-N 3.3Å; I838-I840 PolarHBondContact O-N 3.11Å
839	G	87.7	Confident	89.3	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	66.5	9.4	-177.1	0	0	0	0	0	114.4	R830 V831 N833 N836 P837	R830-G839 CarbonylContact C-O 3.6Å; R830-G839 WeakPolarHBondContact CA-O 3.19Å; R830-G839 WeakPolarHBondContact CD-O 3.44Å; R830-G839 PolarHBondContact NH1-O 2.76Å; V831-G839 PolarHBondContact N-O 3.26Å; V831-G839 CarbonylContact O-C 3.49Å; V831-G839 WeakPolarHBondContact O-CA 3.46Å; N833-G839 WeakPolarHBondContact OD1-CA 3.19Å; N836-G839 WeakPolarHBondContact O-CA 3.31Å; N836-G839 PolarHBondContact O-N 2.64Å; P837-G839 VanDerWaalsContact C-N 3.29Å
840	I	90.8	Very high	88.8	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.026	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	120.6	-177.6	-62.7	164.6	0	0	0	109.8	F802 L805 A806 V829 N836 I838	F802-I840 HydrophobicContact CD1-CB 3.75Å; F802-I840 HydrophobicContact CD1-CD1 3.82Å; F802-I840 HydrophobicContact CD1-CG1 4.39Å; F802-I840 HydrophobicContact CD1-CG2 3.68Å; F802-I840 HydrophobicContact CE1-CB 3.77Å; F802-I840 HydrophobicContact CE1-CG2 3.79Å; F802-I840 WeakPolarHBondContact O-CD1 3.42Å; L805-I840 HydrophobicContact CB-CD1 3.8Å; L805-I840 HydrophobicContact CB-CG1 4.07Å; L805-I840 HydrophobicContact CD1-CG2 4.22Å; A806-I840 HydrophobicContact CB-CD1 3.99Å; V829-I840 WeakPolarHBondContact O-CA 3.32Å; N836-I840 VanDerWaalsContact ND2-C 3.3Å; N836-I840 PolarHBondContact ND2-O 2.93Å; I838-I840 PolarHBondContact O-N 3.11Å
841	T	91.9	Very high	88.6	Confident	31 Å²	31	62.4 Å²	62.4	19%	0.19	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145.9	179.7	-53.2	0	0	0	0	110.1	V829 V831 N836 Y843	V829-T841 PolarHBondContact N-O 3.03Å; V829-T841 PolarHBondContact O-N 3.03Å; V831-T841 WeakPolarHBondContact CG2-OG1 3.36Å; N836-T841 PolarHBondContact ND2-OG1 2.68Å; T841-Y843 HydrophobicContact CG2-CD2 4.26Å; T841-Y843 HydrophobicContact CG2-CE1 4.34Å; T841-Y843 HydrophobicContact CG2-CE2 3.48Å; T841-Y843 VanDerWaalsContact CG2-CE2 3.48Å
842	H	92	Very high	88.7	Confident	39 Å²	39	62.9 Å²	62.9	18%	0.181	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.2	173.3	-41.1	-94.2	0	0	0	111.6	R798 F802 L827 S828	R798-H842 PolarHBondContact NE-CD2 2.91Å; R798-H842 VanDerWaalsContact NE-CD2 3.29Å; R798-H842 PolarHBondContact NE-NE2 3.02Å; R798-H842 PolarHBondContact NH2-CD2 2.7Å; R798-H842 VanDerWaalsContact NH2-CD2 3.29Å; F802-H842 AromaticContact CD2-NE2 3.82Å; F802-H842 AromaticContact CE1-NE2 3.82Å; F802-H842 AromaticContact CE2-CE1 3.93Å; F802-H842 AromaticContact CE2-NE2 3.19Å; F802-H842 WeakPolarHBondContact CE2-NE2 3.25Å; F802-H842 AromaticContact CZ-NE2 3.19Å; F802-H842 WeakPolarHBondContact CZ-NE2 3.46Å; L827-H842 CarbonylContact O-C 3.59Å; L827-H842 VanDerWaalsContact O-CA 3.23Å; L827-H842 WeakPolarHBondContact O-CA 3.41Å; S828-H842 WeakPolarHBondContact CB-ND1 3.31Å; S828-H842 PolarHBondContact OG-ND1 3.45Å
843	Y	93.1	Very high	88.8	Confident	40 Å²	40	65.5 Å²	65.5	16%	0.157	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.8	178.9	-58.5	-96.7	0	0	0	108.9	A826 L827 V829 T841 L854 L878 P879	A826-Y843 CarbonylContact C-O 3.59Å; A826-Y843 WeakPolarHBondContact CA-O 3.49Å; L827-Y843 PolarHBondContact N-O 3.29Å; L827-Y843 PolarHBondContact O-N 3.18Å; V829-Y843 HydrophobicContact CG2-CD2 4.36Å; V829-Y843 HydrophobicContact CG2-CE2 4.45Å; T841-Y843 HydrophobicContact CG2-CD2 4.26Å; T841-Y843 HydrophobicContact CG2-CE1 4.34Å; T841-Y843 HydrophobicContact CG2-CE2 3.48Å; T841-Y843 VanDerWaalsContact CG2-CE2 3.48Å; Y843-L854 HydrophobicContact CD1-CD2 4.35Å; Y843-L878 HydrophobicContact CD1-CD2 4.08Å; Y843-L878 HydrophobicContact CD2-CD2 3.5Å; Y843-L878 VanDerWaalsContact CD2-CD2 3.5Å; Y843-L878 HydrophobicContact CE1-CD2 3.87Å; Y843-L878 HydrophobicContact CE2-CD2 3.28Å; Y843-L878 HydrophobicContact CG-CD2 3.91Å; Y843-L878 VanDerWaalsContact CZ-CD2 3.48Å; Y843-P879 VanDerWaalsContact OH-CD 3.22Å; Y843-P879 WeakPolarHBondContact OH-CD 3.29Å
844	L	93.1	Very high	89	Confident	24 Å²	24	60.6 Å²	60.6	13%	0.126	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	130.1	179.7	-163.5	76.1	0	0	0	110.3	S818 H821 C824 C825 Q846 K855	S818-L844 WeakPolarHBondContact OG-CD1 3.45Å; H821-L844 HydrophobicContact CB-CD1 4.12Å; H821-L844 HydrophobicContact CB-CD2 4.22Å; H821-L844 VanDerWaalsContact CD2-CD2 3.41Å; H821-L844 WeakPolarHBondContact CD2-CD2 3.34Å; C824-L844 HydrophobicContact CB-CD1 3.71Å; C824-L844 HydrophobicContact CB-CD2 3.99Å; C824-L844 HydrophobicContact CB-CG 3.84Å; C825-L844 WeakPolarHBondContact O-CD1 3.3Å; L844-Q846 HydrophobicContact CD2-CG 4.49Å; L844-K855 HydrophobicContact CB-CB 3.94Å; L844-K855 HydrophobicContact CB-CD 4.09Å; L844-K855 HydrophobicContact CD2-CD 3.82Å; L844-K855 WeakPolarHBondContact O-CB 3.33Å; L844-K855 PolarHBondContact O-N 3.35Å
845	I	94.1	Very high	89.1	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.7	170.7	-59.9	172	0	0	0	107.9	V815 C824 C825 L827 V852 R853 L854 L864 L867	V815-I845 HydrophobicContact CG1-CD1 4.25Å; V815-I845 HydrophobicContact CG2-CD1 4.42Å; C824-I845 WeakPolarHBondContact CA-O 3.42Å; C824-I845 WeakPolarHBondContact CB-O 3.25Å; C825-I845 HydrophobicContact CB-CB 4.15Å; C825-I845 PolarHBondContact N-O 2.85Å; C825-I845 PolarHBondContact O-N 2.8Å; L827-I845 HydrophobicContact CB-CD1 3.89Å; L827-I845 HydrophobicContact CB-CG1 4.29Å; I845-V852 HydrophobicContact CG2-CB 3.89Å; I845-V852 HydrophobicContact CG2-CG1 4.28Å; I845-R853 CarbonylContact C-O 3.6Å; I845-R853 WeakPolarHBondContact CA-O 3.37Å; I845-L854 HydrophobicContact CG1-CD1 3.77Å; I845-L864 HydrophobicContact CD1-CD1 3.65Å; I845-L864 HydrophobicContact CG2-CD1 4.46Å; I845-L867 HydrophobicContact CB-CD2 4.46Å; I845-L867 HydrophobicContact CD1-CD2 3.67Å; I845-L867 HydrophobicContact CG1-CD2 3.85Å; I845-L867 HydrophobicContact CG2-CD2 3.78Å
846	Q	91.3	Very high	89.2	Confident	55 Å²	55	58.3 Å²	58.3	26%	0.257	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	127.2	173	-57.7	-171.9	-53.1	0	0	108.8	L844 V852 R853 K855	L844-Q846 HydrophobicContact CD2-CG 4.49Å; Q846-V852 CarbonylContact O-C 3.58Å; Q846-V852 WeakPolarHBondContact O-CA 3.38Å; Q846-R853 HydrophobicContact CB-CG 4.15Å; Q846-R853 PolarHBondContact N-O 2.91Å; Q846-R853 PolarHBondContact O-N 3.17Å; Q846-R853 VanDerWaalsContact OE1-NH2 3.12Å; Q846-K855 HydrophobicContact CG-CB 4.47Å
847	K	89.2	Confident	89.4	Confident	112 Å²	112	58.2 Å²	58.2	49%	0.487	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	130	162.9	-67.1	-166.8	172.7	-164.3	0	107.6	D783 V852	D783-K847 IonicContact OD1-NZ 3.95Å; D783-K847 PolarHBondContact OD1-NZ 2.94Å; D783-K847 IonicContact OD2-NZ 3.72Å; K847-V852 HydrophobicContact CG-CG1 4.37Å
848	T	87.6	Confident	89.4	Confident	31 Å²	31	60.3 Å²	60.3	19%	0.19	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	168.2	176.8	74.5	0	0	0	0	109.8	R850 G851 R853 E860	T848-R850 PolarHBondContact O-N 3.44Å; T848-R850 VanDerWaalsContact O-N 3.14Å; T848-R850 PolarHBondContact OG1-N 2.78Å; T848-G851 PolarHBondContact N-O 2.85Å; T848-G851 PolarHBondContact O-N 3.07Å; T848-G851 PolarHBondContact OG1-N 2.9Å; T848-R853 HydrophobicContact CG2-CG 3.83Å; T848-E860 WeakPolarHBondContact CB-OE2 3.45Å; T848-E860 PolarHBondContact OG1-OE2 3.16Å
849	N	86.5	Confident	89.6	Confident	159 Å²	159	59.9 Å²	59.9	85%	0.85	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-3.7	175.6	64.2	-14.1	0	0	0	114
850	R	82.6	Confident	89.7	Confident	175 Å²	175	63.3 Å²	63.3	66%	0.66	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	0.2	176.1	-65.6	177.3	-179.7	-100	-1.5	113.2	T848	T848-R850 PolarHBondContact O-N 3.44Å; T848-R850 VanDerWaalsContact O-N 3.14Å; T848-R850 PolarHBondContact OG1-N 2.78Å
851	G	89.2	Confident	89.7	Confident	17 Å²	17	64 Å²	64	18%	0.175	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143.8	-118.8	-179.9	0	0	0	0	0	112.6	T848 W861	T848-G851 PolarHBondContact N-O 2.85Å; T848-G851 PolarHBondContact O-N 3.07Å; T848-G851 PolarHBondContact OG1-N 2.9Å; G851-W861 CarbonylContact C-O 3.57Å; G851-W861 WeakPolarHBondContact CA-O 3.43Å
852	V	92.3	Very high	89.6	Confident	10 Å²	10	67.5 Å²	67.5	6%	0.061	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.3	179.2	-62.5	0	0	0	0	111.7	I845 Q846 K847 E860 W861 S863 L867	I845-V852 HydrophobicContact CG2-CB 3.89Å; I845-V852 HydrophobicContact CG2-CG1 4.28Å; Q846-V852 CarbonylContact O-C 3.58Å; Q846-V852 WeakPolarHBondContact O-CA 3.38Å; K847-V852 HydrophobicContact CG-CG1 4.37Å; V852-E860 CarbonylContact O-C 3.37Å; V852-E860 WeakPolarHBondContact O-CA 3.42Å; V852-W861 HydrophobicContact CG2-CB 4.22Å; V852-W861 PolarHBondContact N-O 3.25Å; V852-W861 PolarHBondContact O-N 3.39Å; V852-S863 WeakPolarHBondContact CG2-O 3.39Å; V852-L867 HydrophobicContact CB-CD2 4.48Å; V852-L867 HydrophobicContact CG2-CB 3.81Å; V852-L867 HydrophobicContact CG2-CD2 3.83Å; V852-L867 HydrophobicContact CG2-CG 4.47Å
853	R	92.4	Very high	89.5	Confident	85 Å²	85	68 Å²	68	32%	0.321	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	154.8	169.4	69.1	-178.3	-178.6	-152.2	9.7	112.8	I845 Q846 T848 K859 E860	I845-R853 CarbonylContact C-O 3.6Å; I845-R853 WeakPolarHBondContact CA-O 3.37Å; Q846-R853 HydrophobicContact CB-CG 4.15Å; Q846-R853 PolarHBondContact N-O 2.91Å; Q846-R853 PolarHBondContact O-N 3.17Å; Q846-R853 VanDerWaalsContact OE1-NH2 3.12Å; T848-R853 HydrophobicContact CG2-CG 3.83Å; R853-K859 VanDerWaalsContact CB-O 3.25Å; R853-K859 WeakPolarHBondContact CB-O 3.06Å; R853-E860 HydrophobicContact CB-CB 4.45Å; R853-E860 HydrophobicContact CB-CG 4.09Å; R853-E860 WeakPolarHBondContact CD-OE1 3.43Å; R853-E860 IonicContact CZ-OE1 3.55Å; R853-E860 IonicContact NE-OE1 3.47Å; R853-E860 IonicContact NH1-OE1 3.91Å; R853-E860 PolarHBondContact NH1-OE1 2.96Å
854	L	92.2	Very high	89.4	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.01	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	128.9	171.6	-154.1	68.3	0	0	0	109.2	L827 Y843 I845 G856 L857	L827-L854 HydrophobicContact CD2-CD1 4.39Å; Y843-L854 HydrophobicContact CD1-CD2 4.35Å; I845-L854 HydrophobicContact CG1-CD1 3.77Å; L854-G856 PolarHBondContact O-N 3.31Å; L854-L857 HydrophobicContact CB-CD1 4.16Å; L854-L857 HydrophobicContact CD2-CD1 4.24Å; L854-L857 PolarHBondContact O-N 3.32Å
855	K	89.2	Confident	89.3	Confident	118 Å²	118	69.5 Å²	69.5	51%	0.513	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	108.8	-179.9	-178.3	-178.4	176.4	-177.3	0	109.8	L844 Q846	L844-K855 HydrophobicContact CB-CB 3.94Å; L844-K855 HydrophobicContact CB-CD 4.09Å; L844-K855 HydrophobicContact CD2-CD 3.82Å; L844-K855 WeakPolarHBondContact O-CB 3.33Å; L844-K855 PolarHBondContact O-N 3.35Å; Q846-K855 HydrophobicContact CG-CB 4.47Å
856	G	85.5	Confident	89.2	Confident	60 Å²	60	70.9 Å²	70.9	62%	0.619	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	122.1	-13.6	-172.5	0	0	0	0	0	113.6	L854	L854-G856 PolarHBondContact O-N 3.31Å
857	L	87.1	Confident	89.2	Confident	27 Å²	27	68.2 Å²	68.2	14%	0.141	36%	0.356	C	S	.	.			trans	-113.3	136.6	173.1	-70.2	174.2	0	0	0	111.2	L854 K859 W861 E876 M877	L854-L857 HydrophobicContact CB-CD1 4.16Å; L854-L857 HydrophobicContact CD2-CD1 4.24Å; L854-L857 PolarHBondContact O-N 3.32Å; L857-K859 VanDerWaalsContact C-N 3.27Å; L857-W861 HydrophobicContact CD1-CH2 3.84Å; L857-E876 HydrophobicContact CD1-CB 3.65Å; L857-E876 HydrophobicContact CD1-CG 4.23Å; L857-M877 HydrophobicContact CD1-CG 4.11Å; L857-M877 HydrophobicContact CD2-CG 3.66Å; L857-M877 HydrophobicContact CD2-SD 3.85Å; L857-M877 HydrophobicContact CG-CG 3.8Å; L857-M877 HydrophobicContact CG-SD 3.73Å
858	D	84.7	Confident	89.3	Confident	164 Å²	164	63 Å²	63	88%	0.877	33%	0.334	S	S	*	.			trans	-80.6	-8.2	172	-58	-50.4	0	0	0	112.9
859	K	88.4	Confident	89.5	Confident	101 Å²	101	64.8 Å²	64.8	44%	0.439	35%	0.345	S	S	.	.			trans	-70.6	131.1	173.1	-69.3	173	177.5	170.1	0	109.5	R853 L857 W861 E876	R853-K859 VanDerWaalsContact CB-O 3.25Å; R853-K859 WeakPolarHBondContact CB-O 3.06Å; L857-K859 VanDerWaalsContact C-N 3.27Å; K859-W861 HydrophobicContact CB-CE3 4.46Å; K859-W861 HydrophobicContact CB-CH2 3.72Å; K859-W861 HydrophobicContact CB-CZ2 4.15Å; K859-W861 HydrophobicContact CB-CZ3 3.88Å; K859-W861 HydrophobicContact CD-CZ2 4.49Å; K859-W861 WeakPolarHBondContact O-CZ3 3.42Å; K859-E876 IonicContact NZ-OE1 2.7Å; K859-E876 PolarHBondContact NZ-OE1 3.36Å; K859-E876 IonicContact NZ-OE2 3.15Å; K859-E876 PolarHBondContact NZ-OE2 3.47Å
860	E	90.1	Very high	89.7	Confident	72 Å²	72	59.7 Å²	59.7	34%	0.336	32%	0.316	S	S	.	.			trans	-116.4	138.7	171.7	-46.5	-155.8	165.7	0	0	109.7	T848 V852 R853	T848-E860 WeakPolarHBondContact CB-OE2 3.45Å; T848-E860 PolarHBondContact OG1-OE2 3.16Å; V852-E860 CarbonylContact O-C 3.37Å; V852-E860 WeakPolarHBondContact O-CA 3.42Å; R853-E860 HydrophobicContact CB-CB 4.45Å; R853-E860 HydrophobicContact CB-CG 4.09Å; R853-E860 WeakPolarHBondContact CD-OE1 3.43Å; R853-E860 IonicContact CZ-OE1 3.55Å; R853-E860 IonicContact NE-OE1 3.47Å; R853-E860 IonicContact NH1-OE1 3.91Å; R853-E860 PolarHBondContact NH1-OE1 2.96Å
861	W	91.3	Very high	90.1	Very high	21 Å²	21	51.4 Å²	51.4	8%	0.08	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-112.5	143.9	-179.9	-66.5	-100.9	0	0	0	109.5	G851 V852 L857 K859 S863 A866 L867 H870	G851-W861 CarbonylContact C-O 3.57Å; G851-W861 WeakPolarHBondContact CA-O 3.43Å; V852-W861 HydrophobicContact CG2-CB 4.22Å; V852-W861 PolarHBondContact N-O 3.25Å; V852-W861 PolarHBondContact O-N 3.39Å; L857-W861 HydrophobicContact CD1-CH2 3.84Å; K859-W861 HydrophobicContact CB-CE3 4.46Å; K859-W861 HydrophobicContact CB-CH2 3.72Å; K859-W861 HydrophobicContact CB-CZ2 4.15Å; K859-W861 HydrophobicContact CB-CZ3 3.88Å; K859-W861 HydrophobicContact CD-CZ2 4.49Å; K859-W861 WeakPolarHBondContact O-CZ3 3.42Å; W861-S863 PolarHBondContact O-N 3Å; W861-S863 VanDerWaalsContact O-N 3.15Å; W861-A866 HydrophobicContact CB-CB 4.33Å; W861-L867 HydrophobicContact CB-CB 4.06Å; W861-L867 HydrophobicContact CD2-CB 4.24Å; W861-L867 HydrophobicContact CD2-CD1 3.73Å; W861-L867 HydrophobicContact CE3-CD1 3.61Å; W861-L867 HydrophobicContact CG-CB 4.06Å; W861-L867 HydrophobicContact CG-CD1 4.42Å; W861-L867 HydrophobicContact CH2-CD1 3.87Å; W861-L867 HydrophobicContact CZ2-CD1 4.01Å; W861-L867 HydrophobicContact CZ3-CD1 3.68Å; W861-H870 AromaticContact CE2-CG 3.92Å; W861-H870 AromaticContact CZ2-CD2 3.74Å; W861-H870 AromaticContact CZ2-NE2 3.98Å; W861-H870 VanDerWaalsContact NE1-CB 3.28Å; W861-H870 AromaticContact NE1-CD2 3.76Å; W861-H870 AromaticContact NE1-CE1 3.97Å; W861-H870 AromaticContact NE1-CG 3.18Å; W861-H870 AromaticContact NE1-ND1 3.33Å; W861-H870 PolarHBondContact NE1-ND1 2.97Å
862	P	89.5	Confident	90.1	Very high	104 Å²	104	52.2 Å²	52.2	68%	0.675	29%	0.286	S	S	*	.	S	Bend	trans	-67.1	-19.3	-172.6	26.8	-35.9	0	0	0	114.3	A866	P862-A866 HydrophobicContact CG-CB 4.04Å
863	S	90.8	Very high	89.9	Confident	49 Å²	49	57.1 Å²	57.1	34%	0.343	32%	0.316	S	S	.	.	S	Bend	trans	-153.5	162.5	177.7	70.9	0	0	0	0	112	V852 W861 Q865 A866 L867	V852-S863 WeakPolarHBondContact CG2-O 3.39Å; W861-S863 PolarHBondContact O-N 3Å; W861-S863 VanDerWaalsContact O-N 3.15Å; S863-Q865 VanDerWaalsContact C-N 3.26Å; S863-Q865 PolarHBondContact O-N 3.48Å; S863-A866 PolarHBondContact O-N 3.34Å; S863-A866 VanDerWaalsContact O-N 3.13Å; S863-A866 PolarHBondContact OG-N 3.36Å; S863-A866 VanDerWaalsContact OG-N 3.14Å; S863-L867 PolarHBondContact O-N 3.4Å
864	L	90.6	Very high	89.8	Confident	7 Å²	7	56.6 Å²	56.6	4%	0.037	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-36.5	173.7	-179.3	60.9	0	0	0	112.1	L786 W791 F792 V815 I845 L867 V868	L786-L864 HydrophobicContact CD1-CB 4.06Å; L786-L864 HydrophobicContact CD1-CD2 4.2Å; L786-L864 HydrophobicContact CD2-CB 3.92Å; L786-L864 HydrophobicContact CD2-CD2 4.36Å; L786-L864 HydrophobicContact CD2-CG 4.45Å; W791-L864 HydrophobicContact CH2-CD2 4.4Å; W791-L864 HydrophobicContact CH2-CG 4.01Å; W791-L864 HydrophobicContact CZ3-CD2 4.01Å; W791-L864 HydrophobicContact CZ3-CG 3.94Å; F792-L864 HydrophobicContact CD2-CD2 3.57Å; F792-L864 HydrophobicContact CE2-CD2 3.67Å; F792-L864 HydrophobicContact CG-CD2 4.45Å; V815-L864 HydrophobicContact CG1-CD1 4.28Å; V815-L864 HydrophobicContact CG1-CD2 4.08Å; I845-L864 HydrophobicContact CD1-CD1 3.65Å; I845-L864 HydrophobicContact CG2-CD1 4.46Å; L864-L867 HydrophobicContact CD1-CD2 4.32Å; L864-L867 PolarHBondContact O-N 3.27Å; L864-V868 HydrophobicContact CD1-CG2 4.43Å; L864-V868 WeakPolarHBondContact O-CG2 3.32Å; L864-V868 PolarHBondContact O-N 3.32Å
865	Q	90.9	Very high	89.5	Confident	89 Å²	89	58.6 Å²	58.6	42%	0.416	33%	0.332	S	S	.	.	H	α-helix	trans	-56.5	-49.9	171.1	-170.3	77.9	11.5	0	0	110.9	W791 S863 L867 V868 T869	W791-Q865 VanDerWaalsContact CZ2-OE1 3.32Å; S863-Q865 VanDerWaalsContact C-N 3.26Å; S863-Q865 PolarHBondContact O-N 3.48Å; Q865-L867 PolarHBondContact O-N 3.42Å; Q865-V868 PolarHBondContact O-N 3.13Å; Q865-T869 WeakPolarHBondContact O-CB 3.25Å; Q865-T869 PolarHBondContact O-N 3.28Å; Q865-T869 PolarHBondContact O-OG1 3.1Å; Q865-T869 VanDerWaalsContact O-OG1 3.06Å
866	A	90.7	Very high	89.4	Confident	30 Å²	30	55.9 Å²	55.9	25%	0.248	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-38.9	-178.5	0	0	0	0	0	112.7	W861 P862 S863 H870	W861-A866 HydrophobicContact CB-CB 4.33Å; P862-A866 HydrophobicContact CG-CB 4.04Å; S863-A866 PolarHBondContact O-N 3.34Å; S863-A866 VanDerWaalsContact O-N 3.13Å; S863-A866 PolarHBondContact OG-N 3.36Å; S863-A866 VanDerWaalsContact OG-N 3.14Å; A866-H870 VanDerWaalsContact O-CB 3.29Å; A866-H870 WeakPolarHBondContact O-CB 3.44Å; A866-H870 PolarHBondContact O-N 3Å
867	L	92.8	Very high	89.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-48.4	172.3	170	60	0	0	0	111.5	I845 V852 W861 S863 L864 Q865 H870 L871	I845-L867 HydrophobicContact CB-CD2 4.46Å; I845-L867 HydrophobicContact CD1-CD2 3.67Å; I845-L867 HydrophobicContact CG1-CD2 3.85Å; I845-L867 HydrophobicContact CG2-CD2 3.78Å; V852-L867 HydrophobicContact CB-CD2 4.48Å; V852-L867 HydrophobicContact CG2-CB 3.81Å; V852-L867 HydrophobicContact CG2-CD2 3.83Å; V852-L867 HydrophobicContact CG2-CG 4.47Å; W861-L867 HydrophobicContact CB-CB 4.06Å; W861-L867 HydrophobicContact CD2-CB 4.24Å; W861-L867 HydrophobicContact CD2-CD1 3.73Å; W861-L867 HydrophobicContact CE3-CD1 3.61Å; W861-L867 HydrophobicContact CG-CB 4.06Å; W861-L867 HydrophobicContact CG-CD1 4.42Å; W861-L867 HydrophobicContact CH2-CD1 3.87Å; W861-L867 HydrophobicContact CZ2-CD1 4.01Å; W861-L867 HydrophobicContact CZ3-CD1 3.68Å; S863-L867 PolarHBondContact O-N 3.4Å; L864-L867 HydrophobicContact CD1-CD2 4.32Å; L864-L867 PolarHBondContact O-N 3.27Å; Q865-L867 PolarHBondContact O-N 3.42Å; L867-H870 PolarHBondContact O-N 3.42Å; L867-L871 HydrophobicContact CD1-CD1 3.58Å; L867-L871 HydrophobicContact CD1-CG 4.02Å; L867-L871 HydrophobicContact CG-CD1 4.05Å; L867-L871 WeakPolarHBondContact O-CB 3.39Å; L867-L871 VanDerWaalsContact O-CG 3.3Å; L867-L871 WeakPolarHBondContact O-CG 3.48Å; L867-L871 PolarHBondContact O-N 3.26Å
868	V	91.5	Very high	89.5	Confident	2 Å²	2	57 Å²	57	1%	0.012	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-47.9	179.2	167.9	0	0	0	0	111	W791 F813 V815 L864 Q865 H870 L871 T872 L882 L884	W791-V868 HydrophobicContact CD2-CG1 4.3Å; W791-V868 HydrophobicContact CE3-CG2 4.14Å; W791-V868 HydrophobicContact CH2-CB 4.08Å; W791-V868 HydrophobicContact CH2-CG1 4.41Å; W791-V868 HydrophobicContact CH2-CG2 3.73Å; W791-V868 HydrophobicContact CZ2-CB 4.01Å; W791-V868 HydrophobicContact CZ2-CG1 3.95Å; W791-V868 HydrophobicContact CZ2-CG2 4.12Å; W791-V868 HydrophobicContact CZ3-CG2 3.73Å; F813-V868 HydrophobicContact CE1-CG1 4.41Å; F813-V868 HydrophobicContact CE2-CG1 3.68Å; F813-V868 HydrophobicContact CE2-CG2 4.19Å; F813-V868 HydrophobicContact CZ-CG1 3.4Å; V815-V868 HydrophobicContact CG2-CG2 4.26Å; L864-V868 HydrophobicContact CD1-CG2 4.43Å; L864-V868 WeakPolarHBondContact O-CG2 3.32Å; L864-V868 PolarHBondContact O-N 3.32Å; Q865-V868 PolarHBondContact O-N 3.13Å; V868-H870 VanDerWaalsContact C-N 3.31Å; V868-H870 PolarHBondContact O-N 2.93Å; V868-L871 PolarHBondContact O-N 2.91Å; V868-L871 VanDerWaalsContact O-N 3.14Å; V868-T872 WeakPolarHBondContact O-CG2 3.36Å; V868-T872 PolarHBondContact O-N 3.43Å; V868-L882 HydrophobicContact CG1-CD1 4.49Å; V868-L884 HydrophobicContact CG1-CD2 4.38Å
869	T	90.4	Very high	89.7	Confident	69 Å²	69	51.9 Å²	51.9	42%	0.423	29%	0.286	S	S	.	.	H	α-helix	trans	-58.1	-42.2	176.2	-58.4	0	0	0	0	111.8	Q865 L871 T872	Q865-T869 WeakPolarHBondContact O-CB 3.25Å; Q865-T869 PolarHBondContact O-N 3.28Å; Q865-T869 PolarHBondContact O-OG1 3.1Å; Q865-T869 VanDerWaalsContact O-OG1 3.06Å; T869-L871 PolarHBondContact O-N 3.36Å; T869-T872 PolarHBondContact O-N 2.87Å; T869-T872 PolarHBondContact O-OG1 3.07Å
870	H	90.9	Very high	89.6	Confident	52 Å²	52	47.8 Å²	47.8	24%	0.241	27%	0.27	C	S	.	.	H	α-helix	trans	-59	-48.8	174.3	-174.2	103.4	0	0	0	111.8	W861 A866 L867 V868 T872 V873 I874 E876	W861-H870 AromaticContact CE2-CG 3.92Å; W861-H870 AromaticContact CZ2-CD2 3.74Å; W861-H870 AromaticContact CZ2-NE2 3.98Å; W861-H870 VanDerWaalsContact NE1-CB 3.28Å; W861-H870 AromaticContact NE1-CD2 3.76Å; W861-H870 AromaticContact NE1-CE1 3.97Å; W861-H870 AromaticContact NE1-CG 3.18Å; W861-H870 AromaticContact NE1-ND1 3.33Å; W861-H870 PolarHBondContact NE1-ND1 2.97Å; A866-H870 VanDerWaalsContact O-CB 3.29Å; A866-H870 WeakPolarHBondContact O-CB 3.44Å; A866-H870 PolarHBondContact O-N 3Å; L867-H870 PolarHBondContact O-N 3.42Å; V868-H870 VanDerWaalsContact C-N 3.31Å; V868-H870 PolarHBondContact O-N 2.93Å; H870-T872 PolarHBondContact O-N 2.78Å; H870-V873 PolarHBondContact O-N 3.29Å; H870-I874 PolarHBondContact O-N 2.77Å; H870-E876 IonicContact CD2-OE1 2.77Å; H870-E876 IonicContact CE1-OE1 3.4Å; H870-E876 IonicContact NE2-OE1 2.76Å; H870-E876 PolarHBondContact NE2-OE1 3.27Å
871	L	90.9	Very high	89.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.1	-15.5	-178.9	-68	173	0	0	0	114.1	L827 L867 V868 T869 V873 I874 P875 E876 L878 P881 L882	L827-L871 HydrophobicContact CD2-CD1 3.83Å; L867-L871 HydrophobicContact CD1-CD1 3.58Å; L867-L871 HydrophobicContact CD1-CG 4.02Å; L867-L871 HydrophobicContact CG-CD1 4.05Å; L867-L871 WeakPolarHBondContact O-CB 3.39Å; L867-L871 VanDerWaalsContact O-CG 3.3Å; L867-L871 WeakPolarHBondContact O-CG 3.48Å; L867-L871 PolarHBondContact O-N 3.26Å; V868-L871 PolarHBondContact O-N 2.91Å; V868-L871 VanDerWaalsContact O-N 3.14Å; T869-L871 PolarHBondContact O-N 3.36Å; L871-V873 VanDerWaalsContact C-N 3.33Å; L871-I874 WeakPolarHBondContact CA-O 3.41Å; L871-P875 WeakPolarHBondContact CD2-O 3.49Å; L871-E876 HydrophobicContact CD2-CB 4.27Å; L871-E876 HydrophobicContact CD2-CG 4.3Å; L871-L878 HydrophobicContact CB-CD1 4.21Å; L871-L878 HydrophobicContact CD1-CD1 4.24Å; L871-L878 HydrophobicContact CD2-CD1 4Å; L871-L878 HydrophobicContact CD2-CG 4.3Å; L871-L878 HydrophobicContact CG-CD1 4.39Å; L871-P881 WeakPolarHBondContact O-CA 3.36Å; L871-L882 HydrophobicContact CB-CD1 3.53Å; L871-L882 HydrophobicContact CB-CG 3.8Å; L871-L882 HydrophobicContact CD1-CD1 4.22Å; L871-L882 PolarHBondContact O-N 3.44Å
872	T	90.4	Very high	89.7	Confident	35 Å²	35	46 Å²	46	22%	0.215	27%	0.267	C	S	.	.	H	α-helix	trans	-75	-19.5	168.4	66.8	0	0	0	0	113.6	V868 T869 H870 L882 L884	V868-T872 WeakPolarHBondContact O-CG2 3.36Å; V868-T872 PolarHBondContact O-N 3.43Å; T869-T872 PolarHBondContact O-N 2.87Å; T869-T872 PolarHBondContact O-OG1 3.07Å; H870-T872 PolarHBondContact O-N 2.78Å; T872-L882 WeakPolarHBondContact CA-O 3.44Å; T872-L882 WeakPolarHBondContact CB-O 3.49Å; T872-L882 HydrophobicContact CG2-CB 3.83Å; T872-L882 WeakPolarHBondContact CG2-O 3.45Å; T872-L884 HydrophobicContact CG2-CD1 4.45Å; T872-L884 HydrophobicContact CG2-CD2 3.87Å; T872-L884 HydrophobicContact CG2-CG 3.81Å
873	V	88	Confident	89.6	Confident	113 Å²	113	44.9 Å²	44.9	69%	0.685	25%	0.252	S	S	*	.	H	α-helix	trans	-112.1	-35.6	-176.8	-175.3	0	0	0	0	112.2	H870 L871	H870-V873 PolarHBondContact O-N 3.29Å; L871-V873 VanDerWaalsContact C-N 3.33Å
874	I	89.5	Confident	89.2	Confident	74 Å²	74	46 Å²	46	38%	0.379	25%	0.253	S	S	.	.			trans	-133.8	111.6	-178.2	-54.8	180	0	0	0	108	H870 L871 E876	H870-I874 PolarHBondContact O-N 2.77Å; L871-I874 WeakPolarHBondContact CA-O 3.41Å; I874-E876 VanDerWaalsContact C-N 3.3Å; I874-E876 HydrophobicContact CG2-CG 4.13Å; I874-E876 PolarHBondContact O-N 3.01Å
875	P	85.4	Confident	88.1	Confident	44 Å²	44	47 Å²	47	29%	0.286	26%	0.26	S	S	.	.			trans	-71.6	-18.5	-172.8	27.1	-34.9	0	0	0	114.7	L871 M877 L878	L871-P875 WeakPolarHBondContact CD2-O 3.49Å; P875-M877 PolarHBondContact O-N 3.44Å; P875-L878 HydrophobicContact CB-CB 4.01Å; P875-L878 WeakPolarHBondContact CB-O 3.38Å; P875-L878 WeakPolarHBondContact O-CB 3.34Å; P875-L878 WeakPolarHBondContact O-CG 3.42Å; P875-L878 PolarHBondContact O-N 2.97Å
876	E	87.8	Confident	86.6	Confident	60 Å²	60	50.5 Å²	50.5	28%	0.28	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	-86.9	-178.7	-59.8	-74.7	172.7	0	0	114	L857 K859 H870 L871 I874	L857-E876 HydrophobicContact CD1-CB 3.65Å; L857-E876 HydrophobicContact CD1-CG 4.23Å; K859-E876 IonicContact NZ-OE1 2.7Å; K859-E876 PolarHBondContact NZ-OE1 3.36Å; K859-E876 IonicContact NZ-OE2 3.15Å; K859-E876 PolarHBondContact NZ-OE2 3.47Å; H870-E876 IonicContact CD2-OE1 2.77Å; H870-E876 IonicContact CE1-OE1 3.4Å; H870-E876 IonicContact NE2-OE1 2.76Å; H870-E876 PolarHBondContact NE2-OE1 3.27Å; L871-E876 HydrophobicContact CD2-CB 4.27Å; L871-E876 HydrophobicContact CD2-CG 4.3Å; I874-E876 VanDerWaalsContact C-N 3.3Å; I874-E876 HydrophobicContact CG2-CG 4.13Å; I874-E876 PolarHBondContact O-N 3.01Å
877	M	86.3	Confident	84.7	Confident	101 Å²	101	57.6 Å²	57.6	50%	0.498	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	3.9	175.8	-62.4	-168.1	81.9	0	0	114	L857 P875	L857-M877 HydrophobicContact CD1-CG 4.11Å; L857-M877 HydrophobicContact CD2-CG 3.66Å; L857-M877 HydrophobicContact CD2-SD 3.85Å; L857-M877 HydrophobicContact CG-CG 3.8Å; L857-M877 HydrophobicContact CG-SD 3.73Å; P875-M877 PolarHBondContact O-N 3.44Å
878	L	88.6	Confident	83	Confident	11 Å²	11	58.8 Å²	58.8	6%	0.058	31%	0.305	C	S	.	.	S	Bend	trans	-85.5	143.9	177	-53.6	-177.7	0	0	0	110.6	L827 V829 Y843 L871 P875 C880 L882	L827-L878 HydrophobicContact CD2-CD1 4.37Å; L827-L878 HydrophobicContact CD2-CD2 4.37Å; V829-L878 HydrophobicContact CG2-CD2 4.42Å; Y843-L878 HydrophobicContact CD1-CD2 4.08Å; Y843-L878 HydrophobicContact CD2-CD2 3.5Å; Y843-L878 VanDerWaalsContact CD2-CD2 3.5Å; Y843-L878 HydrophobicContact CE1-CD2 3.87Å; Y843-L878 HydrophobicContact CE2-CD2 3.28Å; Y843-L878 HydrophobicContact CG-CD2 3.91Å; Y843-L878 VanDerWaalsContact CZ-CD2 3.48Å; L871-L878 HydrophobicContact CB-CD1 4.21Å; L871-L878 HydrophobicContact CD1-CD1 4.24Å; L871-L878 HydrophobicContact CD2-CD1 4Å; L871-L878 HydrophobicContact CD2-CG 4.3Å; L871-L878 HydrophobicContact CG-CD1 4.39Å; P875-L878 HydrophobicContact CB-CB 4.01Å; P875-L878 WeakPolarHBondContact CB-O 3.38Å; P875-L878 WeakPolarHBondContact O-CB 3.34Å; P875-L878 WeakPolarHBondContact O-CG 3.42Å; P875-L878 PolarHBondContact O-N 2.97Å; L878-C880 VanDerWaalsContact CB-O 3.3Å; L878-C880 WeakPolarHBondContact CB-O 3.38Å; L878-C880 PolarHBondContact O-N 2.95Å; L878-L882 HydrophobicContact CD1-CD2 3.57Å; L878-L882 HydrophobicContact CD1-CG 3.89Å
879	P	87.9	Confident	81.4	Confident	56 Å²	56	64.3 Å²	64.3	36%	0.364	34%	0.339	S	S	.	.	S	Bend	trans	-63.7	-18.1	171.4	-25.6	34.4	0	0	0	114.7	V831 D835 Y843	V831-P879 HydrophobicContact CB-CB 4.49Å; V831-P879 HydrophobicContact CB-CG 4.38Å; V831-P879 HydrophobicContact CG1-CB 4.39Å; V831-P879 HydrophobicContact CG1-CG 4.03Å; D835-P879 HydrophobicContact CB-CB 3.9Å; D835-P879 HydrophobicContact CB-CG 3.96Å; Y843-P879 VanDerWaalsContact OH-CD 3.22Å; Y843-P879 WeakPolarHBondContact OH-CD 3.29Å
880	C	88	Confident	79.7	Confident	15 Å²	15	61.4 Å²	61.4	10%	0.101	32%	0.321	C	S	.	.	S	Bend	trans	-150.2	150.6	-179.8	57.2	0	0	0	0	110.8	V810 L878	V810-C880 HydrophobicContact CG1-CB 4.37Å; L878-C880 VanDerWaalsContact CB-O 3.3Å; L878-C880 WeakPolarHBondContact CB-O 3.38Å; L878-C880 PolarHBondContact O-N 2.95Å
881	P	90.8	Very high	78.1	Confident	48 Å²	48	63.7 Å²	63.7	31%	0.312	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-66.1	154	171.2	29.5	-34.9	0	0	0	111.1	L871	L871-P881 WeakPolarHBondContact O-CA 3.36Å
882	L	91.7	Very high	76.6	Confident	6 Å²	6	66 Å²	66	3%	0.031	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-74.9	139.9	178.8	-59.6	-173.3	0	0	0	111.7	F813 L827 V829 V868 L871 T872 L878	F813-L882 HydrophobicContact CB-CD2 3.87Å; F813-L882 HydrophobicContact CD1-CB 3.69Å; F813-L882 HydrophobicContact CD1-CD1 4.13Å; F813-L882 HydrophobicContact CD1-CD2 4.12Å; F813-L882 HydrophobicContact CD1-CG 4.19Å; F813-L882 HydrophobicContact CD2-CD1 4.06Å; F813-L882 HydrophobicContact CE1-CB 3.85Å; F813-L882 HydrophobicContact CE1-CD1 4.27Å; F813-L882 HydrophobicContact CE2-CD1 4.22Å; F813-L882 HydrophobicContact CG-CB 4.33Å; F813-L882 HydrophobicContact CG-CD1 4.03Å; F813-L882 HydrophobicContact CG-CD2 3.97Å; F813-L882 HydrophobicContact CG-CG 4.34Å; F813-L882 HydrophobicContact CZ-CD1 4.33Å; L827-L882 HydrophobicContact CD1-CD1 4.17Å; L827-L882 HydrophobicContact CD2-CD1 4.33Å; V829-L882 HydrophobicContact CB-CD2 4.44Å; V829-L882 HydrophobicContact CG1-CD2 3.75Å; V829-L882 HydrophobicContact CG2-CD2 3.77Å; V868-L882 HydrophobicContact CG1-CD1 4.49Å; L871-L882 HydrophobicContact CB-CD1 3.53Å; L871-L882 HydrophobicContact CB-CG 3.8Å; L871-L882 HydrophobicContact CD1-CD1 4.22Å; L871-L882 PolarHBondContact O-N 3.44Å; T872-L882 WeakPolarHBondContact CA-O 3.44Å; T872-L882 WeakPolarHBondContact CB-O 3.49Å; T872-L882 HydrophobicContact CG2-CB 3.83Å; T872-L882 WeakPolarHBondContact CG2-O 3.45Å; L878-L882 HydrophobicContact CD1-CD2 3.57Å; L878-L882 HydrophobicContact CD1-CG 3.89Å
883	K	87.6	Confident	75.1	Confident	82 Å²	82	66 Å²	66	36%	0.357	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-102.5	125.3	171.9	-69.4	-178.9	176.5	168.6	0	110.6	E809 V810 G811 F813	E809-K883 WeakPolarHBondContact OE1-CD 3.42Å; E809-K883 WeakPolarHBondContact OE1-CE 3.13Å; E809-K883 IonicContact OE1-NZ 3.47Å; E809-K883 PolarHBondContact OE1-NZ 3.01Å; E809-K883 IonicContact OE2-NZ 3.42Å; E809-K883 PolarHBondContact OE2-NZ 2.94Å; V810-K883 WeakPolarHBondContact O-CD 3.23Å; V810-K883 WeakPolarHBondContact O-CE 3.37Å; V810-K883 PolarHBondContact O-NZ 3.27Å; G811-K883 PolarHBondContact O-N 3.5Å; F813-K883 VanDerWaalsContact CD1-O 3.28Å; F813-K883 WeakPolarHBondContact CD1-O 3.36Å; F813-K883 WeakPolarHBondContact CE1-O 3.48Å
884	L	82.5	Confident	73.1	Confident	71 Å²	71	65.6 Å²	65.6	37%	0.372	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-70.7	153.3	178.1	-68.8	174.3	0	0	0	111.7	F813 V868 T872 Q886	F813-L884 HydrophobicContact CE1-CD2 4.33Å; F813-L884 HydrophobicContact CZ-CD2 4.23Å; V868-L884 HydrophobicContact CG1-CD2 4.38Å; T872-L884 HydrophobicContact CG2-CD1 4.45Å; T872-L884 HydrophobicContact CG2-CD2 3.87Å; T872-L884 HydrophobicContact CG2-CG 3.81Å; L884-Q886 PolarHBondContact O-N 3.08Å
885	P	68.4	Low	70.6	Confident	28 Å²	28	70.9 Å²	70.9	18%	0.182	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	13.5	-171.7	-25.3	37.1	0	0	0	118.2	P790 W791 Y887 T888 F893	P790-P885 HydrophobicContact CG-CG 4.39Å; W791-P885 HydrophobicContact CB-CG 4.09Å; P885-Y887 PolarHBondContact O-N 3.31Å; P885-T888 WeakPolarHBondContact CA-OG1 3.21Å; P885-T888 WeakPolarHBondContact CB-OG1 3.22Å; P885-T888 PolarHBondContact O-OG1 3.02Å; P885-T888 VanDerWaalsContact O-OG1 3.06Å; P885-F893 HydrophobicContact CB-CB 4.2Å; P885-F893 HydrophobicContact CB-CD1 3.64Å; P885-F893 HydrophobicContact CB-CD2 3.99Å; P885-F893 HydrophobicContact CB-CE1 3.88Å; P885-F893 HydrophobicContact CB-CE2 4.2Å; P885-F893 HydrophobicContact CB-CG 3.69Å; P885-F893 HydrophobicContact CB-CZ 4.16Å; P885-F893 HydrophobicContact CG-CD1 3.64Å; P885-F893 HydrophobicContact CG-CE1 3.47Å; P885-F893 VanDerWaalsContact CG-CE1 3.47Å; P885-F893 HydrophobicContact CG-CE2 4.45Å; P885-F893 HydrophobicContact CG-CG 4.21Å; P885-F893 HydrophobicContact CG-CZ 3.91Å
886	Q	58.7	Low	68.1	Low	164 Å²	164	73 Å²	73	77%	0.766	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-10.5	177.4	-67.9	179.7	-18.6	0	0	113.3	L884	L884-Q886 PolarHBondContact O-N 3.08Å
887	Y	51.2	Low	65.4	Low	179 Å²	179	76.4 Å²	76.4	70%	0.702	41%	0.407	S	S	*	.	S	Bend	trans	-129.9	5.3	-177.1	-62.6	-81.4	0	0	0	113.9	P885	P885-Y887 PolarHBondContact O-N 3.31Å
888	T	56.6	Low	63.1	Low	24 Å²	24	79.5 Å²	79.5	15%	0.147	42%	0.424	C	S	.	.			trans	-92.9	144	-174	47	0	0	0	0	112.7	E808 P885 F893	E808-T888 WeakPolarHBondContact OE2-CA 3.4Å; E808-T888 WeakPolarHBondContact OE2-CB 3.34Å; P885-T888 WeakPolarHBondContact CA-OG1 3.21Å; P885-T888 WeakPolarHBondContact CB-OG1 3.22Å; P885-T888 PolarHBondContact O-OG1 3.02Å; P885-T888 VanDerWaalsContact O-OG1 3.06Å; T888-F893 VanDerWaalsContact CB-CE2 3.45Å; T888-F893 HydrophobicContact CG2-CD2 4.47Å; T888-F893 HydrophobicContact CG2-CE2 3.81Å; T888-F893 HydrophobicContact CG2-CZ 4.47Å; T888-F893 WeakPolarHBondContact OG1-CD2 3.22Å; T888-F893 WeakPolarHBondContact OG1-CE2 3.43Å
889	T	57.3	Low	60.2	Low	118 Å²	118	88 Å²	88	72%	0.724	46%	0.464	S	S	*	.			trans	-88.8	-6.9	-179.1	41.7	0	0	0	0	114.5	E808	E808-T889 VanDerWaalsContact OE1-C 3.3Å; E808-T889 WeakPolarHBondContact OE1-CB 3.36Å; E808-T889 PolarHBondContact OE1-N 3.21Å; E808-T889 PolarHBondContact OE1-OG1 3.07Å; E808-T889 PolarHBondContact OE2-N 3.42Å
890	N	56.2	Low	57.5	Low	8 Å²	8	91.5 Å²	91.5	4%	0.043	48%	0.479	C	S	.	.			trans	-71.2	119.9	-171.7	170.3	9.7	0	0	0	112.1	E808 I892 F893	E808-N890 HydrophobicContact CG-CB 3.91Å; E808-N890 WeakPolarHBondContact OE1-CA 3.43Å; E808-N890 WeakPolarHBondContact OE1-CB 3.43Å; E808-N890 PolarHBondContact OE1-N 2.95Å; E808-N890 PolarHBondContact OE2-N 2.99Å; N890-I892 PolarHBondContact O-N 3.28Å; N890-I892 WeakPolarHBondContact OD1-CB 3.37Å; N890-I892 PolarHBondContact OD1-N 3.46Å; N890-I892 VanDerWaalsContact OD1-N 3.08Å; N890-F893 HydrophobicContact CB-CD2 3.71Å; N890-F893 HydrophobicContact CB-CE2 3.65Å; N890-F893 WeakPolarHBondContact O-CB 3.22Å; N890-F893 VanDerWaalsContact O-CD2 3.25Å; N890-F893 WeakPolarHBondContact O-CD2 3.22Å; N890-F893 PolarHBondContact O-N 3.34Å
891	P	56.5	Low	54.6	Low	100 Å²	100	97 Å²	97	65%	0.649	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-12.5	-174.1	27.7	-36.4	0	0	0	114.7	F893 T894	P891-F893 PolarHBondContact O-N 3.05Å; P891-T894 PolarHBondContact O-OG1 3.03Å
892	I	59.1	Low	51.7	Low	50 Å²	50	102.7 Å²	102.7	26%	0.256	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.1	173.3	-69.3	176.8	0	0	0	112	Q793 L804 N890 T894	Q793-I892 HydrophobicContact CG-CG2 4.41Å; L804-I892 HydrophobicContact CD1-CD1 3.4Å; L804-I892 VanDerWaalsContact CD1-CD1 3.4Å; L804-I892 HydrophobicContact CD2-CD1 3.64Å; L804-I892 HydrophobicContact CD2-CG1 4.39Å; L804-I892 HydrophobicContact CG-CD1 4.16Å; N890-I892 PolarHBondContact O-N 3.28Å; N890-I892 WeakPolarHBondContact OD1-CB 3.37Å; N890-I892 PolarHBondContact OD1-N 3.46Å; N890-I892 VanDerWaalsContact OD1-N 3.08Å; I892-T894 PolarHBondContact O-N 3.48Å
893	F	59.2	Low	48.8	Very low	33 Å²	33	105.5 Å²	105.5	15%	0.145	57%	0.57	C	S	.	*	S	Bend	trans	-76.6	42.6	168.7	-57.4	-55.6	0	0	0	112.7	P790 W791 P885 T888 N890 P891	P790-F893 HydrophobicContact CB-CB 4.47Å; P790-F893 HydrophobicContact CB-CD1 4.12Å; P790-F893 VanDerWaalsContact O-CD1 3.27Å; P790-F893 WeakPolarHBondContact O-CD1 3.44Å; W791-F893 HydrophobicContact CB-CE1 4.14Å; P885-F893 HydrophobicContact CB-CB 4.2Å; P885-F893 HydrophobicContact CB-CD1 3.64Å; P885-F893 HydrophobicContact CB-CD2 3.99Å; P885-F893 HydrophobicContact CB-CE1 3.88Å; P885-F893 HydrophobicContact CB-CE2 4.2Å; P885-F893 HydrophobicContact CB-CG 3.69Å; P885-F893 HydrophobicContact CB-CZ 4.16Å; P885-F893 HydrophobicContact CG-CD1 3.64Å; P885-F893 HydrophobicContact CG-CE1 3.47Å; P885-F893 VanDerWaalsContact CG-CE1 3.47Å; P885-F893 HydrophobicContact CG-CE2 4.45Å; P885-F893 HydrophobicContact CG-CG 4.21Å; P885-F893 HydrophobicContact CG-CZ 3.91Å; T888-F893 VanDerWaalsContact CB-CE2 3.45Å; T888-F893 HydrophobicContact CG2-CD2 4.47Å; T888-F893 HydrophobicContact CG2-CE2 3.81Å; T888-F893 HydrophobicContact CG2-CZ 4.47Å; T888-F893 WeakPolarHBondContact OG1-CD2 3.22Å; T888-F893 WeakPolarHBondContact OG1-CE2 3.43Å; N890-F893 HydrophobicContact CB-CD2 3.71Å; N890-F893 HydrophobicContact CB-CE2 3.65Å; N890-F893 WeakPolarHBondContact O-CB 3.22Å; N890-F893 VanDerWaalsContact O-CD2 3.25Å; N890-F893 WeakPolarHBondContact O-CD2 3.22Å; N890-F893 PolarHBondContact O-N 3.34Å; P891-F893 PolarHBondContact O-N 3.05Å
894	T	45.3	Very low	46.1	Very low	106 Å²	106	107.6 Å²	107.6	65%	0.65	59%	0.592	S	S	*	*			trans	-138	146.9	171	63.5	0	0	0	0	108	P891 I892	P891-T894 PolarHBondContact O-OG1 3.03Å; I892-T894 PolarHBondContact O-N 3.48Å
895	Q	37.6	Very low	43.7	Very low	185 Å²	185	109.8 Å²	109.8	86%	0.864	61%	0.613	S	S	*	*	S	Bend	cis	-153.5	93	26.7	-177.8	-176.5	3.5	0	0	112
896	S	32.3	Very low	42.1	Very low	88 Å²	88	114.6 Å²	114.6	62%	0.615	64%	0.637	S	S	*	*	S	Bend	trans	-159.5	154.7	160.5	46.4	0	0	0	0	110.3	L898	S896-L898 VanDerWaalsContact C-N 3.28Å; S896-L898 PolarHBondContact O-N 3.05Å
897	D	31.4	Very low	40.7	Very low	131 Å²	131	114.5 Å²	114.5	70%	0.701	64%	0.637	S	S	*	*	S	Bend	trans	60.5	16.6	-179.4	-67.3	1.4	0	0	0	118.8
898	L	38.2	Very low	39.9	Very low	166 Å²	166	113.5 Å²	113.5	87%	0.869	64%	0.642	S	S	*	*	S	Bend	trans	-91.4	126.8	136.5	-68.2	-179.8	0	0	0	108.1	S896	S896-L898 VanDerWaalsContact C-N 3.28Å; S896-L898 PolarHBondContact O-N 3.05Å
899	Q	28.1	Very low	38.6	Very low	191 Å²	191	117.1 Å²	117.1	89%	0.893	67%	0.666	S	S	*	*			trans	78.7	65.5	-169.5	-53.5	-164.9	88.1	0	0	116.8
900	L	29.9	Very low	37.3	Very low	129 Å²	129	120.8 Å²	120.8	68%	0.675	67%	0.672	S	S	*	*	S	Bend	trans	-109.8	115.3	144.1	-83.9	173.4	0	0	0	111
901	T	29	Very low	36.2	Very low	129 Å²	129	129.1 Å²	129.1	79%	0.791	71%	0.711	S	S	*	*			trans	56.7	66.5	161.1	62.4	0	0	0	0	118.4	G903	T901-G903 PolarHBondContact O-N 3.11Å
902	N	29.6	Very low	34.9	Very low	169 Å²	169	133.1 Å²	133.1	90%	0.904	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-64.9	117.4	135.8	-80.3	-34.8	0	0	0	107.8
903	G	29.5	Very low	33.5	Very low	65 Å²	65	141 Å²	141	67%	0.67	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-77	139.9	174.6	0	0	0	0	0	111.6	T901	T901-G903 PolarHBondContact O-N 3.11Å
904	P	30.5	Very low	32	Very low	126 Å²	126	145.6 Å²	145.6	82%	0.818	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-82.8	135.9	-174	32.3	-34.6	0	0	0	112.9
905	S	32.4	Very low	31.2	Very low	116 Å²	116	151.4 Å²	151.4	81%	0.811	79%	0.785	S	S	*	*			trans	-143.9	132.6	157.6	49.5	0	0	0	0	108.4
906	N	34.9	Very low	30.7	Very low	129 Å²	129	149.2 Å²	149.2	69%	0.69	78%	0.779	S	S	*	*			trans	-87.3	161.6	-168.5	-59.1	-12.8	0	0	0	112.5
907	E	30.9	Very low	30.6	Very low	162 Å²	162	152.4 Å²	152.4	76%	0.757	79%	0.788	S	S	*	*			trans	63.4	129.5	158.1	-64.2	144.2	-117.6	0	0	114.9
908	I	33.4	Very low	30.5	Very low	158 Å²	158	156.8 Å²	156.8	81%	0.81	79%	0.794	S	S	*	*			cis	-142.3	137	41.9	-66.7	154.7	0	0	0	110.5
909	P	28.6	Very low	30	Very low	101 Å²	101	153.8 Å²	153.8	66%	0.656	79%	0.787	S	S	*	*			trans	-91.8	155.4	170.7	35.7	-33.2	0	0	0	113.2
910	K	30.7	Very low	30.2	Very low	194 Å²	194	149.9 Å²	149.9	84%	0.843	78%	0.781	S	S	*	*			trans	74.9	138.4	-177	-45.4	162.8	-172.7	175	0	111.6
911	Q	33.3	Very low	30.2	Very low	183 Å²	183	153.3 Å²	153.3	86%	0.855	79%	0.794	S	S	*	*			cis	-135.5	155.4	31.5	-65.4	170.9	-23	0	0	113.3	R913	Q911-R913 PolarHBondContact O-N 2.72Å
912	Q	28.8	Very low	30.1	Very low	184 Å²	184	153.6 Å²	153.6	86%	0.86	80%	0.796	S	S	*	*			trans	-64.6	128.1	163.3	-66.4	157.9	-73.3	0	0	109.4
913	R	30	Very low	30.1	Very low	217 Å²	217	154.9 Å²	154.9	82%	0.819	80%	0.796	S	S	*	*			trans	-120.8	105	168.4	-148.7	169.1	-166.5	153.1	4.3	109.5	Q911	Q911-R913 PolarHBondContact O-N 2.72Å
914	N	27.3	Very low	30.1	Very low	128 Å²	128	156.8 Å²	156.8	68%	0.684	81%	0.806	S	S	*	*			trans	-69.5	131.8	-176.7	-61.7	-40.5	0	0	0	111	N916	N914-N916 VanDerWaalsContact C-N 3.27Å; N914-N916 HydrophobicContact CB-CB 4.46Å; N914-N916 PolarHBondContact O-N 3.3Å
915	Y	29.1	Very low	30.1	Very low	228 Å²	228	154.2 Å²	154.2	89%	0.894	80%	0.802	S	S	*	*			trans	-93	63	161.3	-50.6	-58.3	0	0	0	109.6
916	N	26.4	Very low	30.1	Very low	139 Å²	139	157.1 Å²	157.1	74%	0.743	80%	0.803	S	S	*	*			trans	-84.4	115.1	169.2	-120.4	-4.9	0	0	0	108.3	N914	N914-N916 VanDerWaalsContact C-N 3.27Å; N914-N916 HydrophobicContact CB-CB 4.46Å; N914-N916 PolarHBondContact O-N 3.3Å
917	I	31.1	Very low	30.1	Very low	156 Å²	156	157.9 Å²	157.9	80%	0.8	81%	0.807	S	S	*	*			trans	-164.4	102.4	155.7	-93.8	138.9	0	0	0	103.9
918	R	27.9	Very low	30.3	Very low	222 Å²	222	157.4 Å²	157.4	84%	0.838	81%	0.809	S	S	*	*				63.8	114.9	74.4	-162.2	-163.3	-83.1	-148.5	-6.2	109.1
919	S	28.9	Very low	30.2	Very low	103 Å²	103	160.4 Å²	160.4	72%	0.72	81%	0.811	S	S	*	*				-158	162.2	50.9	-42.7	0	0	0	0	109.6
920	S	31.5	Very low	30.5	Very low	110 Å²	110	161 Å²	161	77%	0.769	81%	0.812	S	S	*	*			cis	-171.8	128	-17.2	41.4	0	0	0	0	107.2
921	Q	29.9	Very low	30.8	Very low	200 Å²	200	157.1 Å²	157.1	94%	0.935	81%	0.805	S	S	*	*			trans	-97.5	149	162.9	-78.2	-167.7	3.3	0	0	110.6
922	T	27.1	Very low	30.8	Very low	136 Å²	136	155 Å²	155	83%	0.834	80%	0.799	S	S	*	*			trans	-64.6	125.1	-172.9	-46.4	0	0	0	0	113.2
923	E	29.4	Very low	31.3	Very low	195 Å²	195	150.8 Å²	150.8	91%	0.911	79%	0.79	S	S	*	*			trans	-133	146.1	143.5	-72.4	-160.7	139.6	0	0	108.6
924	A	29.7	Very low	31.5	Very low	105 Å²	105	147.1 Å²	147.1	87%	0.868	79%	0.787	S	S	*	*			trans	-104.7	142.9	-171.2	0	0	0	0	0	111.7
925	G	30.9	Very low	31.8	Very low	72 Å²	72	148.4 Å²	148.4	74%	0.742	79%	0.793	S	S	*	*			trans	-147.7	85.1	179.6	0	0	0	0	0	111.1
926	E	32.8	Very low	32	Very low	178 Å²	178	142.9 Å²	142.9	83%	0.832	79%	0.788	S	S	*	*			trans	29	120.9	155.4	-58.3	178.1	114	0	0	119.4
927	N	35.2	Very low	32.3	Very low	145 Å²	145	140.9 Å²	140.9	78%	0.775	78%	0.784	S	S	*	*				179.8	133.1	110.3	-95.9	-65.1	0	0	0	111.9
928	N	34.9	Very low	32.6	Very low	151 Å²	151	142 Å²	142	81%	0.807	79%	0.786	S	S	*	*			trans	67.9	137	174.3	-56.8	-60.8	0	0	0	115.7
929	R	30.9	Very low	32.8	Very low	221 Å²	221	140.1 Å²	140.1	83%	0.834	79%	0.787	S	S	*	*			cis	-157.9	131.8	4.4	-156.5	167.5	176	165.5	-0.5	112.6
930	V	35.3	Very low	33.1	Very low	114 Å²	114	139.4 Å²	139.4	69%	0.691	78%	0.779	S	S	*	*			trans	72.8	111.6	146.2	159.8	0	0	0	0	120.8
931	T	35.7	Very low	33.2	Very low	113 Å²	113	142 Å²	142	69%	0.693	78%	0.78	S	S	*	*			trans	63.3	138.5	145.4	60.8	0	0	0	0	120.4
932	N	33.4	Very low	33.2	Very low	138 Å²	138	143.1 Å²	143.1	74%	0.738	78%	0.775	S	S	*	*			cis	-154.5	159.1	1.8	-91.6	-23.6	0	0	0	110.6
933	S	39.9	Very low	33.3	Very low	95 Å²	95	143.7 Å²	143.7	66%	0.664	77%	0.772	S	S	*	*			trans	39.6	137.3	148.4	60.8	0	0	0	0	122.1
934	D	34.3	Very low	33.3	Very low	141 Å²	141	142.4 Å²	142.4	75%	0.754	77%	0.77	S	S	*	*			cis	-167.2	150.9	-4.5	-105.6	-38.6	0	0	0	112.7
935	L	34	Very low	33.2	Very low	154 Å²	154	145.7 Å²	145.7	81%	0.806	77%	0.767	S	S	*	*			trans	57.8	119.9	148.2	-62.4	168.8	0	0	0	124.2
936	S	31.8	Very low	33.2	Very low	112 Å²	112	148 Å²	148	78%	0.783	77%	0.772	S	S	*	*				71.1	139.1	127	-157.6	0	0	0	0	120.9
937	S	34.8	Very low	33.2	Very low	97 Å²	97	145.3 Å²	145.3	68%	0.678	77%	0.767	S	S	*	*			cis	-164.6	160.6	-9.3	40.6	0	0	0	0	113.9
938	H	36.6	Very low	33	Very low	181 Å²	181	142.5 Å²	142.5	84%	0.838	76%	0.764	S	S	*	*			trans	-7.4	141.9	164.2	-54.8	-82.6	0	0	0	120.7
939	H	32.3	Very low	32.7	Very low	182 Å²	182	142.9 Å²	142.9	84%	0.843	77%	0.766	S	S	*	*				-166.9	147.7	79.4	-165.2	79.7	0	0	0	113.9
940	P	34.2	Very low	32.8	Very low	88 Å²	88	140.2 Å²	140.2	57%	0.571	77%	0.767	S	S	*	*			trans	-127.9	-171.1	-172.2	41.5	-25.7	0	0	0	117.2
941	Q	33.4	Very low	32.7	Very low	165 Å²	165	140 Å²	140	77%	0.771	77%	0.768	S	S	*	*			trans	86.7	146.5	172.1	-45.3	-169.3	4.9	0	0	116.9
942	R	31.7	Very low	32.3	Very low	222 Å²	222	140.5 Å²	140.5	84%	0.838	78%	0.775	S	S	*	*			cis	-136.6	157.5	9.4	-70.4	178.8	177.4	165.9	1.2	113.1
943	I	28	Very low	32.3	Very low	149 Å²	149	145.4 Å²	145.4	76%	0.764	78%	0.783	S	S	*	*			trans	-139.5	134.3	161	-60	173.7	0	0	0	108.7
944	L	30.5	Very low	31.9	Very low	167 Å²	167	146.2 Å²	146.2	87%	0.874	79%	0.786	S	S	*	*			trans	-151.7	137.6	153.4	-69.2	-179	0	0	0	106.7
945	H	27.3	Very low	31.9	Very low	175 Å²	175	146.4 Å²	146.4	81%	0.81	79%	0.792	S	S	*	*			cis	83.7	139.9	37.2	-81.4	-153	0	0	0	116.2
946	S	30.5	Very low	31.6	Very low	120 Å²	120	146.2 Å²	146.2	84%	0.839	79%	0.791	S	S	*	*			trans	-95.8	143.1	-169.5	-175	0	0	0	0	113
947	V	32.2	Very low	31.7	Very low	122 Å²	122	146.7 Å²	146.7	74%	0.739	79%	0.792	S	S	*	*			trans	-148.5	119.3	175.5	-171.5	0	0	0	0	104.6
948	A	31.5	Very low	31.7	Very low	85 Å²	85	147.9 Å²	147.9	70%	0.702	80%	0.8	S	S	*	*				76	152.1	55	0	0	0	0	0	113.8
949	D	28.9	Very low	31.2	Very low	159 Å²	159	144.8 Å²	144.8	85%	0.85	80%	0.797	S	S	*	*			trans	-63.5	138.1	-161.3	-53.6	-96.3	0	0	0	115.7
950	L	33.4	Very low	31	Very low	165 Å²	165	140.3 Å²	140.3	86%	0.864	79%	0.792	S	S	*	*			trans	-142.1	143.9	158.6	-78.5	-178.9	0	0	0	111.9
951	P	32	Very low	30.8	Very low	109 Å²	109	142.4 Å²	142.4	71%	0.708	80%	0.803	S	S	*	*			trans	-105	166.1	-165.3	40.5	-37.8	0	0	0	116.2
952	C	28.5	Very low	30.5	Very low	124 Å²	124	141.8 Å²	141.8	84%	0.838	80%	0.803	S	S	*	*			trans	48.3	113.2	149.1	-63.9	0	0	0	0	120.8
953	R	33.6	Very low	30.4	Very low	242 Å²	242	135.7 Å²	135.7	91%	0.913	80%	0.795	S	S	*	*			trans	-150.3	127.6	136.8	-138	174.7	-169.2	-130.3	1.3	112.4
954	P	29.9	Very low	30.3	Very low	112 Å²	112	136.9 Å²	136.9	73%	0.727	80%	0.797	S	S	*	*			trans	-85.3	157.6	176.3	34.8	-34.9	0	0	0	112.1
955	V	34.6	Very low	30.3	Very low	145 Å²	145	138.7 Å²	138.7	88%	0.879	80%	0.798	S	S	*	*			trans	-129.7	134.1	167.3	-179.1	0	0	0	0	108.3
956	L	28.5	Very low	30.3	Very low	149 Å²	149	135.2 Å²	135.2	78%	0.78	79%	0.794	S	S	*	*			trans	-84.5	160.5	-175.4	-91.3	83.1	0	0	0	112.7
957	P	33.9	Very low	30.6	Very low	123 Å²	123	135.9 Å²	135.9	80%	0.799	80%	0.795	S	S	*	*			trans	-73.4	154.5	177.1	32	-36.7	0	0	0	112.4
958	S	33.6	Very low	30.7	Very low	121 Å²	121	134.3 Å²	134.3	85%	0.846	80%	0.795	S	S	*	*			trans	-128.6	145.4	160.6	-173.5	0	0	0	0	109.9
959	C	27.2	Very low	30.6	Very low	116 Å²	116	137.5 Å²	137.5	78%	0.784	80%	0.8	S	S	*	*			trans	-89.8	178.7	-170.8	-53.2	0	0	0	0	113.1
960	A	27.7	Very low	31	Very low	88 Å²	88	135.5 Å²	135.5	73%	0.727	80%	0.796	S	S	*	*			trans	2.8	146.1	148.8	0	0	0	0	0	118.1
961	T	29.4	Very low	30.7	Very low	133 Å²	133	136 Å²	136	82%	0.816	79%	0.792	S	S	*	*				-165.8	160.9	69.3	-62.8	0	0	0	0	113.1
962	I	26.9	Very low	30.6	Very low	151 Å²	151	136.3 Å²	136.3	77%	0.774	79%	0.787	S	S	*	*			trans	-72.3	125.5	176.8	-61.5	156.8	0	0	0	112.1
963	S	30.1	Very low	30.7	Very low	95 Å²	95	137.9 Å²	137.9	66%	0.664	78%	0.782	S	S	*	*			trans	-171	117.1	151.6	53.7	0	0	0	0	108
964	H	27.1	Very low	30.3	Very low	174 Å²	174	133.1 Å²	133.1	81%	0.806	78%	0.775	S	S	*	*				39.9	90.2	69.6	-80.1	-83.3	0	0	0	113.8
965	F	29.9	Very low	30.2	Very low	204 Å²	204	135.4 Å²	135.4	90%	0.895	78%	0.78	S	S	*	*			trans	-159	135.8	141.4	-98.3	-65.5	0	0	0	110.6
966	S	27	Very low	29.9	Very low	103 Å²	103	133.3 Å²	133.3	72%	0.72	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-81.9	152.9	173	-50.4	0	0	0	0	110.9	A968	S966-A968 PolarHBondContact O-N 3.25Å
967	P	36.8	Very low	29.9	Very low	134 Å²	134	130.7 Å²	130.7	87%	0.87	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-65.2	125.1	151.5	30.3	-31.2	0	0	0	108.3
968	A	33.2	Very low	29.9	Very low	89 Å²	89	132.9 Å²	132.9	74%	0.736	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-94.9	159.8	177.4	0	0	0	0	0	111.5	S966	S966-A968 PolarHBondContact O-N 3.25Å
969	N	30.2	Very low	29.8	Very low	152 Å²	152	133 Å²	133	81%	0.813	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-56.4	147.3	177	-64.6	-13	0	0	0	112.3
970	P	37.5	Very low	30	Very low	116 Å²	116	133.6 Å²	133.6	75%	0.753	75%	0.749	S	S	*	*				-107.6	131.3	106.8	30.9	-33.9	0	0	0	110.4
971	F	28	Very low	30.1	Very low	177 Å²	177	136 Å²	136	78%	0.776	75%	0.748	S	S	*	*				73.3	118.3	74.2	-101.5	-94.8	0	0	0	114
972	D	28.1	Very low	30.3	Very low	115 Å²	115	135.4 Å²	135.4	62%	0.615	75%	0.745	S	S	*	*			trans	80.9	128.4	146.5	-84.1	25.4	0	0	0	124.6
973	Q	31.3	Very low	30.5	Very low	156 Å²	156	136.3 Å²	136.3	73%	0.729	74%	0.743	S	S	*	*			trans	78	95.7	139.2	-65.5	173.8	55	0	0	120.6
974	N	26.3	Very low	30.5	Very low	142 Å²	142	137.7 Å²	137.7	76%	0.759	74%	0.743	S	S	*	*				49.6	115.6	123.8	-71.8	-25.9	0	0	0	121.7
975	L	26.7	Very low	31.3	Very low	161 Å²	161	135 Å²	135	84%	0.843	74%	0.741	S	S	*	*			trans	66.2	141.6	140	-79.5	89.7	0	0	0	121.3
976	S	28	Very low	31.7	Very low	101 Å²	101	130.4 Å²	130.4	71%	0.706	73%	0.732	S	S	*	*			trans	78.4	93.5	146.9	-154.1	0	0	0	0	120.3
977	S	28.1	Very low	31.9	Very low	94 Å²	94	131.8 Å²	131.8	66%	0.657	74%	0.735	S	S	*	*				72.4	150.7	128.3	71.9	0	0	0	0	121.5
978	H	35.1	Very low	31.6	Very low	168 Å²	168	133.4 Å²	133.4	78%	0.778	74%	0.736	S	S	*	*			trans	70.5	100.8	155	-78.3	-66.3	0	0	0	122.2
979	N	31.6	Very low	31.3	Very low	123 Å²	123	132.4 Å²	132.4	66%	0.658	74%	0.735	S	S	*	*				87	156.4	103.8	-135	6.6	0	0	0	121.8
980	M	31.4	Very low	31.3	Very low	129 Å²	129	129.5 Å²	129.5	64%	0.635	73%	0.726	S	S	*	*			trans	74.9	123.4	164	-54.8	-73.2	89.8	0	0	116.7
981	I	30.3	Very low	30.8	Very low	138 Å²	138	134.3 Å²	134.3	71%	0.708	73%	0.731	S	S	*	*				69.8	134.8	74.8	-66.3	-179.4	0	0	0	111.4
982	T	32.4	Very low	30.8	Very low	122 Å²	122	133.7 Å²	133.7	75%	0.748	73%	0.73	S	S	*	*			cis	-142.8	156.4	20.8	13.3	0	0	0	0	108.8
983	K	31.3	Very low	30.7	Very low	170 Å²	170	133.7 Å²	133.7	74%	0.739	73%	0.734	S	S	*	*				89.9	128	51.1	-132.8	-164.3	172.1	-131.9	0	116.4
984	D	31.1	Very low	30.6	Very low	124 Å²	124	131.9 Å²	131.9	66%	0.663	74%	0.739	S	S	*	*			trans	79.2	142.8	156.6	-54.8	-32.2	0	0	0	122.8
985	P	42.4	Very low	30.6	Very low	117 Å²	117	132 Å²	132	76%	0.76	74%	0.74	S	S	*	*			trans	-99	-157.1	179.5	44.6	-40.3	0	0	0	112.3
986	P	38.8	Very low	30.7	Very low	107 Å²	107	132.1 Å²	132.1	70%	0.695	74%	0.74	S	S	*	*			cis	-148.5	-175.7	4.1	43	-20.3	0	0	0	119.8
987	V	32	Very low	30.8	Very low	132 Å²	132	131.3 Å²	131.3	80%	0.8	74%	0.735	S	S	*	*			trans	73.4	138.3	137.3	151.4	0	0	0	0	124.7
988	L	29.1	Very low	30.8	Very low	168 Å²	168	135.3 Å²	135.3	88%	0.88	74%	0.743	S	S	*	*			trans	88.8	123.1	153.3	-131.6	72.5	0	0	0	123.9
989	G	28.3	Very low	30.4	Very low	69 Å²	69	133.1 Å²	133.1	71%	0.711	75%	0.745	S	S	*	*			trans	81.5	163.6	144.7	0	0	0	0	0	119.3
990	S	28.8	Very low	30.1	Very low	91 Å²	91	136.6 Å²	136.6	64%	0.636	75%	0.754	S	S	*	*			cis	-179.6	152.4	-19.4	50.4	0	0	0	0	111.3
991	Y	27.1	Very low	29.9	Very low	217 Å²	217	135.6 Å²	135.6	85%	0.851	76%	0.76	S	S	*	*			trans	68.4	162.4	163.5	-53.7	-51.7	0	0	0	116.7
992	Q	29.4	Very low	29.9	Very low	164 Å²	164	137.8 Å²	137.8	77%	0.766	77%	0.767	S	S	*	*			cis	-153	-179.4	-10.5	-117.6	-82.3	1	0	0	110.6
993	V	25	Very low	29.6	Very low	114 Å²	114	138.3 Å²	138.3	69%	0.691	76%	0.764	S	S	*	*			trans	-84.4	151.9	-170.6	176.5	0	0	0	0	114.2
994	S	29.8	Very low	29.5	Very low	119 Å²	119	135.3 Å²	135.3	83%	0.832	76%	0.762	S	S	*	*			trans	-167.6	158.9	142.1	19.2	0	0	0	0	115
995	N	26.3	Very low	29.3	Very low	145 Å²	145	132.1 Å²	132.1	78%	0.775	75%	0.745	S	S	*	*			trans	-89.3	158	-167.6	-58.6	-58.6	0	0	0	115.5
996	L	28.3	Very low	28.7	Very low	162 Å²	162	138.1 Å²	138.1	85%	0.848	75%	0.753	S	S	*	*				162.3	159.7	128.3	-104.2	49.6	0	0	0	110.8
997	S	29.4	Very low	27.9	Very low	85 Å²	85	140.9 Å²	140.9	59%	0.594	76%	0.76	S	S	*	*			cis	-173.4	155	-41.6	64	0	0	0	0	112.8
998	Q	28.6	Very low	27.8	Very low	178 Å²	178	137.9 Å²	137.9	83%	0.832	76%	0.757	S	S	*	*			trans	78.7	166.9	157	-59.7	-172.2	24.8	0	0	121.4
999	C	27.3	Very low	27.6	Very low	122 Å²	122	136.5 Å²	136.5	82%	0.824	75%	0.75	S	S	*	*			trans	68.5	103.3	175.4	-61.7	0	0	0	0	117.7
1000	K	25.6	Very low	27.7	Very low	195 Å²	195	140.1 Å²	140.1	85%	0.848	75%	0.753	S	S	*	*			cis	117	127.8	-1.4	-161.1	179.5	-175.3	-179.2	0	114.3
1001	S	27.2	Very low	27.6	Very low	109 Å²	109	141.2 Å²	141.2	76%	0.762	75%	0.752	S	S	*	*			trans	70.8	157.4	179.3	78.7	0	0	0	0	115.7
1002	Q	29.2	Very low	27.6	Very low	183 Å²	183	137.8 Å²	137.8	86%	0.855	75%	0.748	S	S	*	*			cis	-145.1	173.8	7.7	-159.2	148.6	-37.3	0	0	112.7
1003	I	27.1	Very low	27.5	Very low	134 Å²	134	137.5 Å²	137.5	69%	0.687	75%	0.747	S	S	*	*			trans	-94.5	167.6	-174.2	-21.5	178	0	0	0	111.6
1004	P	29.1	Very low	27.5	Very low	106 Å²	106	139 Å²	139	69%	0.688	75%	0.75	S	S	*	*				-137.9	144.3	99.4	36.9	-25.4	0	0	0	115.5
1005	N	26	Very low	27.3	Very low	57 Å²	57	137 Å²	137	31%	0.305	74%	0.736	S	S	.	*			trans	-102.1	146.8	147.5	-74.3	-160	0	0	0	105.6	R724	R724-N1005 PolarHBondContact NH2-OD1 2.88Å
1006	W	29.4	Very low	27.4	Very low	244 Å²	244	135.4 Å²	135.4	92%	0.924	73%	0.732	S	S	*	*			trans	-127.9	125.6	156	-79.4	109.8	0	0	0	110.5
1007	L	23.8	Very low	27.5	Very low	164 Å²	164	135.6 Å²	135.6	86%	0.859	73%	0.726	S	S	*	*			trans	-136.9	129.9	172.8	-172.3	81.5	0	0	0	105.2
1008	G	28.5	Very low	27.4	Very low	70 Å²	70	138.5 Å²	138.5	72%	0.722	73%	0.734	S	S	*	*			trans	155.3	97.6	-162.8	0	0	0	0	0	106.4
1009	N	24.7	Very low	27.4	Very low	138 Å²	138	134.8 Å²	134.8	74%	0.738	73%	0.728	S	S	*	*			cis	72.2	51.6	29.2	-154.3	100	0	0	0	113.9
1010	D	30.7	Very low	27.4	Very low	146 Å²	146	133.2 Å²	133.2	78%	0.781	72%	0.724	S	S	*	*			trans	-130.9	124.2	139.6	-82.5	-55	0	0	0	106.6
1011	N	26.2	Very low	27.7	Very low	114 Å²	114	132.6 Å²	132.6	61%	0.61	72%	0.724	S	S	*	*				85.2	124.8	57.4	-72.1	-41.8	0	0	0	113
1012	N	27.2	Very low	27.7	Very low	145 Å²	145	132.1 Å²	132.1	78%	0.775	72%	0.721	S	S	*	*			trans	78.6	128.8	162.7	-58.1	-39.2	0	0	0	120.8
1013	H	28.1	Very low	27.5	Very low	158 Å²	158	128.9 Å²	128.9	73%	0.731	72%	0.719	S	S	*	*			trans	70.8	116	148.5	-82.9	-119.5	0	0	0	118.3
1014	L	25.7	Very low	27.6	Very low	144 Å²	144	129.3 Å²	129.3	75%	0.754	72%	0.722	S	S	*	*				76.8	132.8	86.9	-123.3	85.3	0	0	0	111
1015	S	25.1	Very low	27.4	Very low	77 Å²	77	132.2 Å²	132.2	54%	0.538	73%	0.727	S	S	.	*			cis	-164.3	144.7	16.3	-162.3	0	0	0	0	112.1
1016	T	27.2	Very low	27.4	Very low	113 Å²	113	136.8 Å²	136.8	69%	0.693	75%	0.749	S	S	*	*			trans	62.1	156.8	150.8	51.3	0	0	0	0	119
1017	K	30.3	Very low	27.1	Very low	166 Å²	166	129.8 Å²	129.8	72%	0.722	74%	0.738	S	S	*	*			cis	-154.6	142.3	10.2	-127.1	145.4	-170.5	175.2	0	109.6
1018	N	27.5	Very low	27.2	Very low	145 Å²	145	129.4 Å²	129.4	78%	0.775	74%	0.736	S	S	*	*			trans	56.2	139.3	144.1	-57.4	11.9	0	0	0	119.5
1019	S	30	Very low	27	Very low	100 Å²	100	135.2 Å²	135.2	70%	0.699	74%	0.741	S	S	*	*			cis	-139.9	143.2	-3.7	-84	0	0	0	0	107.1
1020	A	27.7	Very low	27.1	Very low	89 Å²	89	134.6 Å²	134.6	74%	0.736	74%	0.742	S	S	*	*				63.4	134.8	66.2	0	0	0	0	0	111.9
1021	E	30.2	Very low	27.1	Very low	182 Å²	182	135.3 Å²	135.3	85%	0.85	75%	0.746	S	S	*	*			cis	-138.6	166	26.1	-66.1	172.4	118.1	0	0	114.8
1022	S	28.7	Very low	27.1	Very low	100 Å²	100	134.6 Å²	134.6	70%	0.699	75%	0.749	S	S	*	*			trans	27.9	125	160.7	59.8	0	0	0	0	120.1
1023	S	24.7	Very low	27.1	Very low	115 Å²	115	134.2 Å²	134.2	80%	0.804	75%	0.752	S	S	*	*			cis	60.3	92.8	20.9	-51.9	0	0	0	0	116.8
1024	N	28.5	Very low	26.9	Very low	142 Å²	142	133.6 Å²	133.6	76%	0.759	75%	0.753	S	S	*	*			trans	-161.4	116.7	146.7	-90.4	-41.4	0	0	0	106.7
1025	Q	25.1	Very low	26.9	Very low	168 Å²	168	137.3 Å²	137.3	79%	0.785	76%	0.757	S	S	*	*				76.3	146	86.6	-96.7	-160.3	69.7	0	0	115.5
1026	I	25.5	Very low	26.9	Very low	152 Å²	152	142.9 Å²	142.9	78%	0.779	77%	0.772	S	S	*	*			trans	85.9	97.5	169	-55.2	154.9	0	0	0	118
1027	S	23.6	Very low	27	Very low	97 Å²	97	145.6 Å²	145.6	68%	0.678	78%	0.777	S	S	*	*				60.5	132	121.2	-142.2	0	0	0	0	123.7
1028	L	24.9	Very low	26.8	Very low	157 Å²	157	144.6 Å²	144.6	82%	0.822	78%	0.779	S	S	*	*			trans	55.4	116.9	148.5	-68.5	165.4	0	0	0	120.8
1029	K	26.2	Very low	26.8	Very low	191 Å²	191	141.5 Å²	141.5	83%	0.83	77%	0.769	S	S	*	*				-156.1	147	121.1	-135	130.2	-172.2	173.4	0	114.8
1030	T	26.8	Very low	26.8	Very low	125 Å²	125	142.4 Å²	142.4	77%	0.767	77%	0.77	S	S	*	*			trans	-92.2	119.6	161.2	47.8	0	0	0	0	108.9	C1032	T1030-C1032 VanDerWaalsContact C-N 3.26Å; T1030-C1032 PolarHBondContact O-N 3.5Å
1031	D	29.4	Very low	26.7	Very low	161 Å²	161	144.5 Å²	144.5	86%	0.861	77%	0.769	S	S	*	*			trans	-80.2	77.1	175	-75.8	-28	0	0	0	111.3
1032	C	27	Very low	26.6	Very low	99 Å²	99	143.5 Å²	143.5	67%	0.669	77%	0.769	S	S	*	*			trans	-65.6	140.4	157.4	-177.1	0	0	0	0	108.9	T1030 L1034	T1030-C1032 VanDerWaalsContact C-N 3.26Å; T1030-C1032 PolarHBondContact O-N 3.5Å; C1032-L1034 PolarHBondContact O-N 2.86Å
1033	V	26.3	Very low	26.4	Very low	138 Å²	138	143.3 Å²	143.3	84%	0.836	77%	0.773	S	S	*	*			trans	-75.1	64.7	170.8	-171.7	0	0	0	0	109.6	W1035	V1033-W1035 PolarHBondContact O-N 2.92Å
1034	L	25.3	Very low	26.5	Very low	145 Å²	145	142.9 Å²	142.9	76%	0.759	77%	0.769	S	S	*	*			trans	-70.8	121.4	171.4	-177	66.9	0	0	0	108	C1032 K1036	C1032-L1034 PolarHBondContact O-N 2.86Å; L1034-K1036 PolarHBondContact O-N 3.14Å; L1034-K1036 VanDerWaalsContact O-N 3.13Å
1035	W	25	Very low	26.6	Very low	222 Å²	222	144.6 Å²	144.6	84%	0.841	78%	0.776	S	S	*	*			trans	-57.1	120	172.5	-83.8	39.8	0	0	0	109.3	V1033 Q1037	V1033-W1035 PolarHBondContact O-N 2.92Å; W1035-Q1037 PolarHBondContact O-N 3.34Å; W1035-Q1037 VanDerWaalsContact O-N 3.1Å
1036	K	25.8	Very low	26.7	Very low	193 Å²	193	140.3 Å²	140.3	84%	0.839	77%	0.765	S	S	*	*			trans	-65.8	114	173.3	-89.6	-172.5	174	-179.7	0	109.2	L1034 N1038	L1034-K1036 PolarHBondContact O-N 3.14Å; L1034-K1036 VanDerWaalsContact O-N 3.13Å; K1036-N1038 VanDerWaalsContact C-N 3.34Å; K1036-N1038 PolarHBondContact O-N 2.94Å
1037	Q	28	Very low	26.7	Very low	170 Å²	170	141.4 Å²	141.4	79%	0.794	77%	0.767	S	S	*	*			trans	-59.3	95	163.9	-169.9	81.5	0.7	0	0	108.6	W1035 S1039	W1035-Q1037 PolarHBondContact O-N 3.34Å; W1035-Q1037 VanDerWaalsContact O-N 3.1Å; Q1037-S1039 PolarHBondContact O-N 3.37Å
1038	N	27.7	Very low	27	Very low	146 Å²	146	141.8 Å²	141.8	78%	0.781	77%	0.769	S	S	*	*			trans	-73.3	74	164.8	-87.7	5.9	0	0	0	108.4	K1036 V1040	K1036-N1038 VanDerWaalsContact C-N 3.34Å; K1036-N1038 PolarHBondContact O-N 2.94Å; N1038-V1040 VanDerWaalsContact C-N 3.33Å; N1038-V1040 PolarHBondContact O-N 2.99Å
1039	S	26.2	Very low	27.1	Very low	80 Å²	80	142.1 Å²	142.1	56%	0.559	77%	0.766	S	S	*	*			trans	-71	93.9	167.2	-152.8	0	0	0	0	107.6	Q1037	Q1037-S1039 PolarHBondContact O-N 3.37Å
1040	V	31	Very low	27.1	Very low	119 Å²	119	143.9 Å²	143.9	72%	0.721	77%	0.769	S	S	*	*			trans	-93.1	107	161.8	177.6	0	0	0	0	105.7	N1038 L1042	N1038-V1040 VanDerWaalsContact C-N 3.33Å; N1038-V1040 PolarHBondContact O-N 2.99Å; V1040-L1042 PolarHBondContact O-N 3.12Å
1041	D	24.3	Very low	27.1	Very low	132 Å²	132	143.6 Å²	143.6	71%	0.706	77%	0.768	S	S	*	*			trans	-67.4	108.4	-178.1	-65.7	-51.1	0	0	0	110.7
1042	L	28	Very low	26.9	Very low	162 Å²	162	142.9 Å²	142.9	85%	0.848	76%	0.764	S	S	*	*			trans	-110.9	37.4	164	-88.1	167.5	0	0	0	111	V1040 C1044	V1040-L1042 PolarHBondContact O-N 3.12Å; L1042-C1044 PolarHBondContact O-N 3.01Å
1043	A	25.3	Very low	27.1	Very low	96 Å²	96	145.5 Å²	145.5	79%	0.793	77%	0.766	S	S	*	*			trans	-76.2	67.8	168.8	0	0	0	0	0	110.7
1044	C	27.2	Very low	27.1	Very low	106 Å²	106	148 Å²	148	72%	0.716	77%	0.769	S	S	*	*			trans	-155.3	54.1	175.7	-141.1	0	0	0	0	115.2	L1042	L1042-C1044 PolarHBondContact O-N 3.01Å
1045	I	30.8	Very low	27.1	Very low	177 Å²	177	150.4 Å²	150.4	91%	0.908	77%	0.768	S	S	*	*			trans	-122.5	107.9	141.5	-61.4	-177	0	0	0	106.2
1046	S	26.1	Very low	27.3	Very low	78 Å²	78	148.7 Å²	148.7	55%	0.545	77%	0.767	S	S	.	*			trans	-125.8	155.2	-172.4	55.6	0	0	0	0	110.3
1047	Q	26.7	Very low	27.4	Very low	176 Å²	176	145.8 Å²	145.8	82%	0.822	76%	0.757	S	S	*	*			trans	73.3	144.6	-177.8	-49	160.9	5.4	0	0	112.3
1048	S	28.9	Very low	27.5	Very low	104 Å²	104	144.4 Å²	144.4	73%	0.727	76%	0.756	S	S	*	*			cis	-76.4	139.5	-2.8	52.3	0	0	0	0	112.7
1049	E	27.7	Very low	27.7	Very low	164 Å²	164	144.9 Å²	144.9	77%	0.766	75%	0.753	S	S	*	*				58.1	113	71.7	-71.6	-178.6	140.1	0	0	113.7
1050	Y	26.4	Very low	27.8	Very low	229 Å²	229	144.2 Å²	144.2	90%	0.898	75%	0.746	S	S	*	*			trans	-148.6	103.7	162.8	-140.9	-85.9	0	0	0	107.4
1051	T	26.2	Very low	27.8	Very low	119 Å²	119	143 Å²	143	73%	0.73	74%	0.735	S	S	*	*			trans	-141.1	129.1	-177.5	46	0	0	0	0	108.6
1052	D	25.6	Very low	28.2	Very low	145 Å²	145	141 Å²	141	78%	0.775	72%	0.724	S	S	*	*			trans	60.9	152.1	-172.7	-69	-44.7	0	0	0	115.4
1053	E	30.5	Very low	28.2	Very low	154 Å²	154	141.5 Å²	141.5	72%	0.72	72%	0.715	S	S	*	*			cis	-112.9	135.3	4.8	-66	-176.4	104.9	0	0	113
1054	Q	26	Very low	28.5	Very low	190 Å²	190	143.8 Å²	143.8	89%	0.888	71%	0.714	S	S	*	*			trans	-86.5	111.4	149.8	-83.8	-169.8	-19	0	0	109.4
1055	R	26.9	Very low	28.5	Very low	196 Å²	196	145.5 Å²	145.5	74%	0.74	72%	0.716	S	S	*	*			trans	-142.5	109.3	162.1	-79.6	-166.8	168.8	178.5	-0	113.8
1056	F	28.2	Very low	28.4	Very low	187 Å²	187	148.8 Å²	148.8	82%	0.82	72%	0.717	S	S	*	*			trans	61.9	140.2	148.4	-72	-115.9	0	0	0	117.8
1057	M	28.4	Very low	28.4	Very low	131 Å²	131	154.2 Å²	154.2	65%	0.645	73%	0.731	S	S	*	*			cis	-166.1	170	-10.2	-116.6	-56.6	-141.9	0	0	108.5
1058	N	29.8	Very low	28.3	Very low	142 Å²	142	153.4 Å²	153.4	76%	0.759	73%	0.731	S	S	*	*			trans	66.4	107.5	173.6	-51.1	-7.3	0	0	0	114.4
1059	E	31.1	Very low	28.1	Very low	156 Å²	156	153 Å²	153	73%	0.729	73%	0.728	S	S	*	*			cis	81.7	92.4	28.3	-61.8	-156.6	119.7	0	0	118.2
1060	T	28.4	Very low	28	Very low	65 Å²	65	156.7 Å²	156.7	40%	0.399	74%	0.737	S	S	.	*			trans	74.6	155.2	142.1	79.2	0	0	0	0	118.6	T235 T236	T235-T1060 CarbonylContact O-C 3.59Å; T235-T1060 VanDerWaalsContact O-CA 3.28Å; T235-T1060 WeakPolarHBondContact O-CA 3.41Å; T235-T1060 PolarHBondContact O-N 2.93Å; T236-T1060 WeakPolarHBondContact O-CA 3.33Å
1061	N	32.3	Very low	28.1	Very low	95 Å²	95	151.6 Å²	151.6	51%	0.508	73%	0.729	S	S	.	*			cis	-158.7	163.8	28.1	-138	-41.9	0	0	0	116.6	T235	T235-N1061 PolarHBondContact O-N 3.35Å
1062	N	30.9	Very low	28.1	Very low	89 Å²	89	151.3 Å²	151.3	48%	0.476	73%	0.728	S	S	.	*			trans	44.7	119.8	153.9	-81.5	-35	0	0	0	126.7
1063	R	28.5	Very low	28.2	Very low	173 Å²	173	151.6 Å²	151.6	65%	0.653	73%	0.73	S	S	*	*				53.5	121.6	123.6	-61.2	170.5	-172.2	169.6	4	122.4
1064	N	32.2	Very low	28.2	Very low	143 Å²	143	151.9 Å²	151.9	77%	0.765	74%	0.736	S	S	*	*				178.7	127.2	102.2	-92.2	-34.8	0	0	0	116
1065	N	27.4	Very low	28.4	Very low	142 Å²	142	150.5 Å²	150.5	76%	0.759	73%	0.734	S	S	*	*			trans	32.6	101.1	144.9	-58.5	-16.5	0	0	0	122.6
1066	R	28.6	Very low	28.6	Very low	246 Å²	246	146 Å²	146	93%	0.928	73%	0.73	S	S	*	*			trans	-175	128.2	140.8	-93	152.5	-151.1	-157.4	6.5	105.4
1067	K	25.5	Very low	28.8	Very low	192 Å²	192	147 Å²	147	84%	0.835	73%	0.734	S	S	*	*			cis	70.8	125.1	43.7	-153.9	174.6	-174.5	175.7	0	112.4
1068	L	24.5	Very low	28.9	Very low	160 Å²	160	147.8 Å²	147.8	84%	0.838	74%	0.741	S	S	*	*			trans	93.4	154.9	-176.2	-72.9	98.5	0	0	0	118.7
1069	S	25.1	Very low	29	Very low	94 Å²	94	147.6 Å²	147.6	66%	0.657	74%	0.739	S	S	*	*			trans	59.9	101.3	163.1	63.4	0	0	0	0	120.3	T1071	S1069-T1071 PolarHBondContact O-N 2.95Å
1070	Y	25.1	Very low	29	Very low	243 Å²	243	144.2 Å²	144.2	95%	0.953	74%	0.739	S	S	*	*			trans	-71.9	98.3	139.8	-80.7	-85.7	0	0	0	108.5
1071	T	29.3	Very low	29	Very low	121 Å²	121	147.1 Å²	147.1	74%	0.742	76%	0.76	S	S	*	*			trans	-83.6	125.2	170.1	48.5	0	0	0	0	110.2	S1069 N1073	S1069-T1071 PolarHBondContact O-N 2.95Å; T1071-N1073 PolarHBondContact O-N 3.47Å
1072	T	25.2	Very low	29.2	Very low	113 Å²	113	148.4 Å²	148.4	69%	0.693	77%	0.766	S	S	*	*			trans	-64.9	125	164.8	49.9	0	0	0	0	110.6
1073	N	28.6	Very low	29.4	Very low	152 Å²	152	151.5 Å²	151.5	81%	0.813	78%	0.782	S	S	*	*			trans	-174.5	172.5	146.8	-94.2	-26.7	0	0	0	110.7	T1071	T1071-N1073 PolarHBondContact O-N 3.47Å
1074	D	29.3	Very low	29.7	Very low	160 Å²	160	147.4 Å²	147.4	86%	0.856	77%	0.773	S	S	*	*			trans	71.3	53.2	170.9	-58.1	-20.9	0	0	0	118.3
1075	L	30.2	Very low	29.9	Very low	161 Å²	161	147.7 Å²	147.7	84%	0.843	77%	0.774	S	S	*	*			trans	-87	129.6	146.7	-163.2	72.6	0	0	0	108.9
1076	P	31.6	Very low	30.2	Very low	100 Å²	100	148.4 Å²	148.4	65%	0.649	77%	0.767	S	S	*	*			trans	-70.9	142.4	-167.2	25.5	-34.6	0	0	0	114.3	N1078	P1076-N1078 PolarHBondContact O-N 3.47Å
1077	K	33	Very low	30.6	Very low	209 Å²	209	142 Å²	142	91%	0.909	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	19.7	-170.4	-62.4	176	178.7	172.6	0	116.2
1078	N	31.2	Very low	31.5	Very low	148 Å²	148	141.6 Å²	141.6	79%	0.791	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-11.2	-170.8	-72.1	2.6	0	0	0	114.8	P1076 A1080	P1076-N1078 PolarHBondContact O-N 3.47Å; N1078-A1080 PolarHBondContact O-N 2.88Å
1079	N	29.9	Very low	32.5	Very low	137 Å²	137	142.3 Å²	142.3	73%	0.733	76%	0.76	S	S	*	*	S	Bend	trans	-90.3	92.7	169.2	-73.6	-5.9	0	0	0	109	C1081	N1079-C1081 PolarHBondContact O-N 2.89Å
1080	A	31.2	Very low	33.7	Very low	86 Å²	86	139.7 Å²	139.7	71%	0.711	74%	0.739	S	S	*	*			trans	-60.1	121.1	-176.8	0	0	0	0	0	111.7	N1078 L1082	N1078-A1080 PolarHBondContact O-N 2.88Å; A1080-L1082 PolarHBondContact O-N 2.87Å; A1080-L1082 VanDerWaalsContact O-N 3.13Å
1081	C	29.8	Very low	35	Very low	126 Å²	126	133 Å²	133	85%	0.851	72%	0.716	S	S	*	*			trans	-65.2	112.4	173.1	-171.7	0	0	0	0	109.2	N1079 L1083	N1079-C1081 PolarHBondContact O-N 2.89Å; C1081-L1083 VanDerWaalsContact C-N 3.3Å; C1081-L1083 PolarHBondContact O-N 3Å
1082	L	36.3	Very low	36.2	Very low	122 Å²	122	131.7 Å²	131.7	64%	0.639	71%	0.705	S	S	*	*			trans	-75.5	81.6	-177.3	-77.4	176.4	0	0	0	111.2	A1080 L1084	A1080-L1082 PolarHBondContact O-N 2.87Å; A1080-L1082 VanDerWaalsContact O-N 3.13Å; L1082-L1084 VanDerWaalsContact C-N 3.26Å; L1082-L1084 HydrophobicContact CB-CD1 4.03Å; L1082-L1084 HydrophobicContact CB-CG 4.1Å; L1082-L1084 HydrophobicContact CD1-CD1 4.3Å; L1082-L1084 HydrophobicContact CD2-CD1 4.46Å; L1082-L1084 PolarHBondContact O-N 2.9Å
1083	L	34.5	Very low	37.6	Very low	154 Å²	154	128.3 Å²	128.3	81%	0.806	68%	0.679	S	S	*	*			trans	-62.9	86.9	163.6	-172.6	78.4	0	0	0	109	C1081	C1081-L1083 VanDerWaalsContact C-N 3.3Å; C1081-L1083 PolarHBondContact O-N 3Å
1084	L	35.3	Very low	38.9	Very low	87 Å²	87	122.5 Å²	122.5	46%	0.455	65%	0.648	S	S	.	*			trans	-116	120.7	-179.1	-70.3	175.4	0	0	0	110.3	R139 L1082	R139-L1084 PolarHBondContact NH2-O 3.47Å; L1082-L1084 VanDerWaalsContact C-N 3.26Å; L1082-L1084 HydrophobicContact CB-CD1 4.03Å; L1082-L1084 HydrophobicContact CB-CG 4.1Å; L1082-L1084 HydrophobicContact CD1-CD1 4.3Å; L1082-L1084 HydrophobicContact CD2-CD1 4.46Å; L1082-L1084 PolarHBondContact O-N 2.9Å
1085	D	35.3	Very low	40.3	Very low	148 Å²	148	120.6 Å²	120.6	79%	0.791	63%	0.628	S	S	*	*			trans	-49.4	150.8	-170.8	-75.6	-55.2	0	0	0	114.8
1086	Y	33.9	Very low	41.8	Very low	158 Å²	158	114.4 Å²	114.4	62%	0.62	60%	0.596	S	S	*	*			trans	-83.3	148	-170.1	-56.5	-89.1	0	0	0	111.9
1087	S	38.5	Very low	42.9	Very low	110 Å²	110	110.5 Å²	110.5	77%	0.769	57%	0.571	S	S	*	*			trans	-147.9	145.9	170.2	-67	0	0	0	0	108.6	E1089	S1087-E1089 VanDerWaalsContact C-N 3.32Å; S1087-E1089 PolarHBondContact O-N 2.78Å
1088	E	44.3	Very low	43.8	Very low	184 Å²	184	103.6 Å²	103.6	86%	0.86	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	17.7	-134.6	-58.1	174.2	128.8	0	0	116.2
1089	E	45.2	Very low	44.9	Very low	175 Å²	175	102 Å²	102	82%	0.818	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-8.7	-163.8	-62	-168.6	161.9	0	0	117.1	S1087	S1087-E1089 VanDerWaalsContact C-N 3.32Å; S1087-E1089 PolarHBondContact O-N 2.78Å
1090	D	49.9	Very low	45.9	Very low	39 Å²	39	96.6 Å²	96.6	21%	0.209	50%	0.503	C	S	.	.			trans	-116.7	27	178.4	-71.4	-52.8	0	0	0	113.1	Y135 K142 D1092 Y1093 Q1094	Y135-D1090 HydrophobicContact CE2-CB 4.26Å; K142-D1090 IonicContact NZ-OD1 3.81Å; K142-D1090 PolarHBondContact NZ-OD1 3.16Å; K142-D1090 IonicContact NZ-OD2 2.68Å; K142-D1090 PolarHBondContact NZ-OD2 2.69Å; D1090-D1092 VanDerWaalsContact C-N 3.34Å; D1090-D1092 PolarHBondContact O-N 3.09Å; D1090-D1092 VanDerWaalsContact O-N 3.16Å; D1090-Y1093 PolarHBondContact O-N 3.19Å; D1090-Y1093 VanDerWaalsContact O-N 3.08Å; D1090-Q1094 PolarHBondContact O-N 3.01Å
1091	E	53	Low	46.6	Very low	102 Å²	102	94 Å²	94	48%	0.477	48%	0.48	S	S	.	.	H	α-helix	trans	-52.9	-40.5	-170	-72.6	-152.4	117.9	0	0	115.3	Y1093 Q1094 R1095	E1091-Y1093 VanDerWaalsContact C-N 3.32Å; E1091-Y1093 PolarHBondContact O-N 3.33Å; E1091-Q1094 PolarHBondContact O-N 3.39Å; E1091-R1095 WeakPolarHBondContact O-CB 3.49Å; E1091-R1095 VanDerWaalsContact O-CG 3.27Å; E1091-R1095 WeakPolarHBondContact O-CG 3.47Å; E1091-R1095 PolarHBondContact O-N 3.23Å; E1091-R1095 IonicContact OE1-CZ 2.75Å; E1091-R1095 IonicContact OE1-NH1 2.9Å; E1091-R1095 IonicContact OE1-NH2 2.89Å; E1091-R1095 PolarHBondContact OE1-NH2 3.42Å; E1091-R1095 IonicContact OE2-CZ 2.91Å; E1091-R1095 IonicContact OE2-NH1 2.62Å; E1091-R1095 PolarHBondContact OE2-NH1 2.92Å; E1091-R1095 IonicContact OE2-NH2 3.38Å; E1091-R1095 PolarHBondContact OE2-NH2 3.31Å
1092	D	54.3	Low	47.3	Very low	94 Å²	94	92.3 Å²	92.3	50%	0.503	46%	0.461	S	S	.	.	H	α-helix	trans	-63.2	-37.5	-179.1	-91.2	10.4	0	0	0	112	R98 D1090 L1096	R98-D1092 IonicContact NH2-OD2 2.76Å; D1090-D1092 VanDerWaalsContact C-N 3.34Å; D1090-D1092 PolarHBondContact O-N 3.09Å; D1090-D1092 VanDerWaalsContact O-N 3.16Å; D1092-L1096 WeakPolarHBondContact O-CB 3.42Å; D1092-L1096 WeakPolarHBondContact O-CG 3.39Å; D1092-L1096 PolarHBondContact O-N 3.4Å; D1092-L1096 VanDerWaalsContact O-N 3.17Å
1093	Y	54.3	Low	47.8	Very low	42 Å²	42	89.6 Å²	89.6	17%	0.165	45%	0.447	C	S	.	.	H	α-helix	trans	-74.4	-40.1	175.3	-93.1	-74.7	0	0	0	112	R79 Y135 D1090 E1091 L1096 S1097	R79-Y1093 VanDerWaalsContact CB-OH 3.23Å; R79-Y1093 WeakPolarHBondContact CB-OH 3.39Å; Y135-Y1093 HydrophobicContact CD2-CG 4.35Å; D1090-Y1093 PolarHBondContact O-N 3.19Å; D1090-Y1093 VanDerWaalsContact O-N 3.08Å; E1091-Y1093 VanDerWaalsContact C-N 3.32Å; E1091-Y1093 PolarHBondContact O-N 3.33Å; Y1093-L1096 PolarHBondContact O-N 3Å; Y1093-S1097 WeakPolarHBondContact O-CB 3.33Å; Y1093-S1097 PolarHBondContact O-N 3.46Å
1094	Q	55.3	Low	48.1	Very low	31 Å²	31	84.2 Å²	84.2	15%	0.145	43%	0.425	C	S	.	.	H	α-helix	trans	-60.7	-50.7	176.6	-172.8	59.7	55.9	0	0	109.8	Y135 D1090 E1091 L1096 S1097 D1098	Y135-Q1094 PolarHBondContact OH-OE1 3.44Å; D1090-Q1094 PolarHBondContact O-N 3.01Å; E1091-Q1094 PolarHBondContact O-N 3.39Å; Q1094-L1096 VanDerWaalsContact C-N 3.3Å; Q1094-L1096 PolarHBondContact O-N 2.95Å; Q1094-S1097 WeakPolarHBondContact O-CB 3.5Å; Q1094-S1097 PolarHBondContact O-N 2.76Å; Q1094-S1097 VanDerWaalsContact O-N 3.14Å; Q1094-D1098 WeakPolarHBondContact CG-OD2 3.49Å; Q1094-D1098 PolarHBondContact NE2-OD1 3.41Å; Q1094-D1098 PolarHBondContact NE2-OD2 3.45Å; Q1094-D1098 WeakPolarHBondContact O-CB 3.28Å; Q1094-D1098 PolarHBondContact O-N 2.93Å
1095	R	59.3	Low	48.5	Very low	119 Å²	119	85.8 Å²	85.8	45%	0.449	43%	0.434	S	S	.	.	H	α-helix	trans	-53.5	-43.2	173.8	-75.3	174.3	178.1	121.6	15.3	112.7	E1091 D1098 F1099	E1091-R1095 WeakPolarHBondContact O-CB 3.49Å; E1091-R1095 VanDerWaalsContact O-CG 3.27Å; E1091-R1095 WeakPolarHBondContact O-CG 3.47Å; E1091-R1095 PolarHBondContact O-N 3.23Å; E1091-R1095 IonicContact OE1-CZ 2.75Å; E1091-R1095 IonicContact OE1-NH1 2.9Å; E1091-R1095 IonicContact OE1-NH2 2.89Å; E1091-R1095 PolarHBondContact OE1-NH2 3.42Å; E1091-R1095 IonicContact OE2-CZ 2.91Å; E1091-R1095 IonicContact OE2-NH1 2.62Å; E1091-R1095 PolarHBondContact OE2-NH1 2.92Å; E1091-R1095 IonicContact OE2-NH2 3.38Å; E1091-R1095 PolarHBondContact OE2-NH2 3.31Å; R1095-D1098 PolarHBondContact O-N 3.33Å; R1095-F1099 WeakPolarHBondContact O-CB 3.41Å; R1095-F1099 PolarHBondContact O-N 2.95Å
1096	L	61.1	Low	48.8	Very low	32 Å²	32	83.9 Å²	83.9	17%	0.168	42%	0.423	C	S	.	.	H	α-helix	trans	-69.3	-39.8	178.1	-80.9	171.2	0	0	0	113.4	F131 D1092 Y1093 Q1094 D1098 S1100	F131-L1096 HydrophobicContact CE1-CD1 4.15Å; D1092-L1096 WeakPolarHBondContact O-CB 3.42Å; D1092-L1096 WeakPolarHBondContact O-CG 3.39Å; D1092-L1096 PolarHBondContact O-N 3.4Å; D1092-L1096 VanDerWaalsContact O-N 3.17Å; Y1093-L1096 PolarHBondContact O-N 3Å; Q1094-L1096 VanDerWaalsContact C-N 3.3Å; Q1094-L1096 PolarHBondContact O-N 2.95Å; L1096-D1098 VanDerWaalsContact C-N 3.33Å; L1096-S1100 WeakPolarHBondContact O-CB 3.42Å; L1096-S1100 PolarHBondContact O-N 3.34Å; L1096-S1100 PolarHBondContact O-OG 3.1Å
1097	S	54.8	Low	49.1	Very low	17 Å²	17	81.9 Å²	81.9	12%	0.119	42%	0.423	C	S	.	.	H	α-helix	trans	-62.8	-41.3	173.4	-179.6	0	0	0	0	111.6	Y1093 Q1094 S1100 S1101	Y1093-S1097 WeakPolarHBondContact O-CB 3.33Å; Y1093-S1097 PolarHBondContact O-N 3.46Å; Q1094-S1097 WeakPolarHBondContact O-CB 3.5Å; Q1094-S1097 PolarHBondContact O-N 2.76Å; Q1094-S1097 VanDerWaalsContact O-N 3.14Å; S1097-S1100 CarbonylContact O-C 3.5Å; S1097-S1100 PolarHBondContact O-N 2.98Å; S1097-S1101 PolarHBondContact O-N 3.02Å; S1097-S1101 PolarHBondContact O-OG 3Å
1098	D	52.4	Low	49.1	Very low	64 Å²	64	83.2 Å²	83.2	34%	0.342	42%	0.421	S	S	.	.	H	α-helix	trans	-73.6	-45.3	-177.8	-63.6	-22.7	0	0	0	111.2	Q1094 R1095 L1096 S1100 S1101 I1102	Q1094-D1098 WeakPolarHBondContact CG-OD2 3.49Å; Q1094-D1098 PolarHBondContact NE2-OD1 3.41Å; Q1094-D1098 PolarHBondContact NE2-OD2 3.45Å; Q1094-D1098 WeakPolarHBondContact O-CB 3.28Å; Q1094-D1098 PolarHBondContact O-N 2.93Å; R1095-D1098 PolarHBondContact O-N 3.33Å; L1096-D1098 VanDerWaalsContact C-N 3.33Å; D1098-S1100 VanDerWaalsContact C-N 3.26Å; D1098-S1100 PolarHBondContact O-N 3.43Å; D1098-S1101 PolarHBondContact O-N 3.38Å; D1098-I1102 WeakPolarHBondContact O-CB 3.5Å; D1098-I1102 VanDerWaalsContact O-CG1 3.28Å; D1098-I1102 WeakPolarHBondContact O-CG1 3.47Å; D1098-I1102 PolarHBondContact O-N 2.88Å
1099	F	55	Low	48.4	Very low	114 Å²	114	78.1 Å²	78.1	50%	0.5	41%	0.41	S	S	.	.	H	α-helix	trans	-60.7	-37.5	173.2	-132.7	-91.2	0	0	0	111.6	Y83 R1095 S1101 L1103	Y83-F1099 HydrophobicContact CE2-CE1 4.47Å; R1095-F1099 WeakPolarHBondContact O-CB 3.41Å; R1095-F1099 PolarHBondContact O-N 2.95Å; F1099-S1101 VanDerWaalsContact C-N 3.27Å; F1099-S1101 PolarHBondContact O-N 3.29Å; F1099-L1103 HydrophobicContact CD1-CD1 3.71Å; F1099-L1103 HydrophobicContact CD1-CG 4.12Å; F1099-L1103 HydrophobicContact CE1-CD1 3.97Å; F1099-L1103 HydrophobicContact CE1-CG 4.37Å; F1099-L1103 WeakPolarHBondContact O-CB 3.39Å; F1099-L1103 WeakPolarHBondContact O-CG 3.34Å; F1099-L1103 PolarHBondContact O-N 3.42Å
1100	S	50.4	Low	47.9	Very low	25 Å²	25	77.7 Å²	77.7	18%	0.175	41%	0.408	C	S	.	.	H	α-helix	trans	-77.7	-6.8	175.5	-52.8	0	0	0	0	114	K132 L1096 S1097 D1098 A1104	K132-S1100 VanDerWaalsContact CE-O 3.3Å; K132-S1100 WeakPolarHBondContact CE-O 3.18Å; K132-S1100 PolarHBondContact NZ-O 3.23Å; L1096-S1100 WeakPolarHBondContact O-CB 3.42Å; L1096-S1100 PolarHBondContact O-N 3.34Å; L1096-S1100 PolarHBondContact O-OG 3.1Å; S1097-S1100 CarbonylContact O-C 3.5Å; S1097-S1100 PolarHBondContact O-N 2.98Å; D1098-S1100 VanDerWaalsContact C-N 3.26Å; D1098-S1100 PolarHBondContact O-N 3.43Å; S1100-A1104 WeakPolarHBondContact O-CB 3.32Å
1101	S	45.2	Very low	47.2	Very low	30 Å²	30	84.6 Å²	84.6	21%	0.21	44%	0.439	C	S	.	.	H	α-helix	trans	-94.1	-51.6	167.6	-57.4	0	0	0	0	109.6	K132 S1097 D1098 F1099 L1103 A1104 D1105	K132-S1101 VanDerWaalsContact CE-OG 3.23Å; K132-S1101 WeakPolarHBondContact CE-OG 3.19Å; K132-S1101 PolarHBondContact NZ-OG 3.47Å; S1097-S1101 PolarHBondContact O-N 3.02Å; S1097-S1101 PolarHBondContact O-OG 3Å; D1098-S1101 PolarHBondContact O-N 3.38Å; F1099-S1101 VanDerWaalsContact C-N 3.27Å; F1099-S1101 PolarHBondContact O-N 3.29Å; S1101-L1103 VanDerWaalsContact C-N 3.31Å; S1101-L1103 PolarHBondContact O-N 2.91Å; S1101-A1104 CarbonylContact O-C 3.6Å; S1101-A1104 WeakPolarHBondContact O-CA 3.38Å; S1101-A1104 WeakPolarHBondContact O-CB 3.33Å; S1101-A1104 PolarHBondContact O-N 3.35Å; S1101-D1105 WeakPolarHBondContact O-CB 3.4Å; S1101-D1105 VanDerWaalsContact O-CG 3.22Å; S1101-D1105 PolarHBondContact O-N 3.29Å
1102	I	44.9	Very low	46.3	Very low	92 Å²	92	89.7 Å²	89.7	47%	0.472	45%	0.454	S	S	.	.	H	α-helix	trans	-51.4	-47.2	176.2	-67.8	164	0	0	0	111.6	D1098 A1104 L1106	D1098-I1102 WeakPolarHBondContact O-CB 3.5Å; D1098-I1102 VanDerWaalsContact O-CG1 3.28Å; D1098-I1102 WeakPolarHBondContact O-CG1 3.47Å; D1098-I1102 PolarHBondContact O-N 2.88Å; I1102-A1104 PolarHBondContact O-N 3.27Å; I1102-L1106 HydrophobicContact CG2-CD1 3.64Å; I1102-L1106 HydrophobicContact CG2-CG 4.41Å; I1102-L1106 VanDerWaalsContact O-CB 3.26Å; I1102-L1106 WeakPolarHBondContact O-CB 3.45Å; I1102-L1106 WeakPolarHBondContact O-CD1 3.22Å; I1102-L1106 WeakPolarHBondContact O-CG 3.43Å; I1102-L1106 PolarHBondContact O-N 3.23Å
1103	L	45.7	Very low	45.4	Very low	64 Å²	64	90.6 Å²	90.6	34%	0.335	47%	0.465	S	S	.	.	H	α-helix	trans	-73.5	-22.1	177.2	-68.2	178.8	0	0	0	114.4	F1099 S1101	F1099-L1103 HydrophobicContact CD1-CD1 3.71Å; F1099-L1103 HydrophobicContact CD1-CG 4.12Å; F1099-L1103 HydrophobicContact CE1-CD1 3.97Å; F1099-L1103 HydrophobicContact CE1-CG 4.37Å; F1099-L1103 WeakPolarHBondContact O-CB 3.39Å; F1099-L1103 WeakPolarHBondContact O-CG 3.34Å; F1099-L1103 PolarHBondContact O-N 3.42Å; S1101-L1103 VanDerWaalsContact C-N 3.31Å; S1101-L1103 PolarHBondContact O-N 2.91Å
1104	A	42.3	Very low	44.4	Very low	42 Å²	42	97 Å²	97	35%	0.347	50%	0.501	S	S	.	.	H	α-helix	trans	-80.4	-37.9	175.1	0	0	0	0	0	111.6	S1100 S1101 I1102	S1100-A1104 WeakPolarHBondContact O-CB 3.32Å; S1101-A1104 CarbonylContact O-C 3.6Å; S1101-A1104 WeakPolarHBondContact O-CA 3.38Å; S1101-A1104 WeakPolarHBondContact O-CB 3.33Å; S1101-A1104 PolarHBondContact O-N 3.35Å; I1102-A1104 PolarHBondContact O-N 3.27Å
1105	D	42.5	Very low	43.5	Very low	119 Å²	119	101.6 Å²	101.6	64%	0.636	53%	0.531	S	S	*	.	H	α-helix	trans	-78.9	-36.1	-177.7	-59.3	-31.9	0	0	0	111.5	S1101 N1107	S1101-D1105 WeakPolarHBondContact O-CB 3.4Å; S1101-D1105 VanDerWaalsContact O-CG 3.22Å; S1101-D1105 PolarHBondContact O-N 3.29Å; D1105-N1107 VanDerWaalsContact C-N 3.35Å; D1105-N1107 PolarHBondContact O-N 3.28Å
1106	L	41.9	Very low	42.4	Very low	109 Å²	109	98.7 Å²	98.7	57%	0.571	53%	0.529	S	S	*	.	H	α-helix	trans	-68.1	-28.9	177.9	-74.4	171.7	0	0	0	113.6	I1102 L1108 A1109	I1102-L1106 HydrophobicContact CG2-CD1 3.64Å; I1102-L1106 HydrophobicContact CG2-CG 4.41Å; I1102-L1106 VanDerWaalsContact O-CB 3.26Å; I1102-L1106 WeakPolarHBondContact O-CB 3.45Å; I1102-L1106 WeakPolarHBondContact O-CD1 3.22Å; I1102-L1106 WeakPolarHBondContact O-CG 3.43Å; I1102-L1106 PolarHBondContact O-N 3.23Å; L1106-L1108 VanDerWaalsContact C-N 3.27Å; L1106-L1108 PolarHBondContact O-N 3.19Å; L1106-A1109 PolarHBondContact O-N 3.18Å
1107	N	41.8	Very low	41	Very low	116 Å²	116	105.5 Å²	105.5	62%	0.62	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	1.7	-177.9	-91.5	22.9	0	0	0	114.9	D1105	D1105-N1107 VanDerWaalsContact C-N 3.35Å; D1105-N1107 PolarHBondContact O-N 3.28Å
1108	L	37	Very low	40.3	Very low	137 Å²	137	110 Å²	110	72%	0.717	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-6.5	166.6	-89.4	90.7	0	0	0	113.8	L1106 H1110	L1106-L1108 VanDerWaalsContact C-N 3.27Å; L1106-L1108 PolarHBondContact O-N 3.19Å; L1108-H1110 PolarHBondContact O-N 2.95Å
1109	A	30.8	Very low	39.6	Very low	77 Å²	77	112.4 Å²	112.4	64%	0.636	61%	0.614	S	S	*	*			trans	-76.5	71.6	172.3	0	0	0	0	0	111.1	L1106 E1111	L1106-A1109 PolarHBondContact O-N 3.18Å; A1109-E1111 PolarHBondContact O-N 3.45Å
1110	H	34.3	Very low	38.8	Very low	167 Å²	167	112.3 Å²	112.3	77%	0.773	62%	0.62	S	S	*	*			trans	-71.7	91.9	177.6	-162.9	67.2	0	0	0	110.1	L1108 R1112	L1108-H1110 PolarHBondContact O-N 2.95Å; H1110-R1112 PolarHBondContact O-N 3.44Å
1111	E	34.1	Very low	38.1	Very low	184 Å²	184	117.4 Å²	117.4	86%	0.86	65%	0.647	S	S	*	*			trans	-60.7	97.4	177.1	-71.8	-146.4	145.4	0	0	111	A1109 P1113	A1109-E1111 PolarHBondContact O-N 3.45Å; E1111-P1113 WeakPolarHBondContact O-CD 3.33Å
1112	R	34	Very low	37.7	Very low	209 Å²	209	122.9 Å²	122.9	79%	0.789	67%	0.674	S	S	*	*			trans	-76.9	120.1	161.9	-71.2	-178.7	176.6	162.3	1	107.9	H1110 L1114	H1110-R1112 PolarHBondContact O-N 3.44Å; R1112-L1114 PolarHBondContact O-N 3.39Å
1113	P	36.9	Very low	37.2	Very low	112 Å²	112	124.9 Å²	124.9	73%	0.727	69%	0.687	S	S	*	*			trans	-64.5	112.1	167.8	26.9	-32.5	0	0	0	108.7	E1111 T1115	E1111-P1113 WeakPolarHBondContact O-CD 3.33Å; P1113-T1115 VanDerWaalsContact C-N 3.34Å; P1113-T1115 PolarHBondContact O-N 2.95Å
1114	L	32.9	Very low	36.6	Very low	178 Å²	178	129.3 Å²	129.3	93%	0.932	71%	0.713	S	S	*	*			trans	-73.1	90.5	169.4	-76.9	168.7	0	0	0	108.8	R1112	R1112-L1114 PolarHBondContact O-N 3.39Å
1115	T	36	Very low	36.1	Very low	127 Å²	127	136 Å²	136	78%	0.779	74%	0.741	S	S	*	*			trans	-95.1	137.9	166	54.1	0	0	0	0	109.5	P1113	P1113-T1115 VanDerWaalsContact C-N 3.34Å; P1113-T1115 PolarHBondContact O-N 2.95Å
1116	S	37.6	Very low	35.6	Very low	57 Å²	57	137.4 Å²	137.4	40%	0.399	75%	0.749	S	S	.	*			trans	-84	147.2	-152.5	51.7	0	0	0	0	117.5	E682	E682-S1116 WeakPolarHBondContact OE1-CB 3.44Å; E682-S1116 PolarHBondContact OE1-OG 3.45Å
1117	C	30.2	Very low	35	Very low	176 Å²	176	140 Å²	140	100%	1.189	77%	0.766	S	S	*	*			trans	-147.1	0	139.8	-81.5	0	0	0	0	107.8

Retrieved 1,117 of 1,117 residues in 662.5 ms (Link to these results)

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