A0A5K4EDH1_SCHMA Loading...

Cadherin domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EDH1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,169 aa.

						>A0A5K4EDH1_SCHMA|A0A5K4EDH1
MFLAVFFALSILLESGTCIEFVFPCGQPKIYVGYLWINATVVHVIPRIQAAPDEPNDNYVCRFKIHSPESSPFYVELLDQKYGFAELRVDPKLSSNITKTSSFVLEIEASDCDEHSRTTSRVPIRVQVIDRHGPVFDKPHYNFKLGQRSPIGSIVGQIQAIEEVNQPSDYSNTAICSYRLEPVDSPFSINNYGVIRVRETLLSLAQRPYSLRVIAEDCSRPVPHRTSVSVTVEQILIDCKPGWKNLPSDIEFLGSEEKPERLFMHSSLHLETCTGPCANPFIEARLELRSAVIGQNLVTANPQSCRHDPTSIKRQQKFCGLDPVTITNLLPDPEYDLVNQLIGPVLNSPPRLIPSLLAWRFDPTLSTVWEIDADRLFNNTRFPVKWDSDFTMSFWLRRHHLQNNLRVSNNDENEESIFCSHDNIESEWRYLSINLHGCRFVVRIMSSTSNEPKKSTLFVFDPLPEEICSQTTGHDDGIWHHYAITFSSSSSSAISNDPITILIDGQDLDIKAMPTVYESLQTSSNPFSYQGKPRLTIGACYDPRTHLTRQHLRGDLTGFTLLREKIESPNTLRCISQCGEALLIPNVMEVLCPDIDIHLENDVITVSGQNTMHLTDVLTSISYARPQPGVSVNYLPNVAQARLLRLLTSYRCSGDQSFVIPTAEIRLNVLPMTVTDILRTSHHDLSDQISQSTKDTSLWVPANMHVLDRPGLSQAIVGTRANYDKNSRPLQPPSLIILGSDIVTTEPPINPPGIPLFSDLRFGLPTEQVSDSSSSSQVAAGVPLDDCFVWLISTGNPISLNIRPKLYEEYGARIDWPVDETQSSQLIGLADRTGIQLRGRKPALIYANLLQKFRFWPPKNIRSMQLMDTNTEIIYMANIGLMCSLDSGKQTTPEFVVKIVIQGKGSETASLINEVGAFISNQSLSSHPNPDAVHYVLSDQERIESGDKSLNRLRLINPIDYEYGTIDKKPQYNYTGLVIGLSVSAVILGLLIGTSIWYIRKNKPQHHKKPTRRRRFASQPADFGGSNLKTDPTLRLTTNPVNDLQLMSMKMNSMHGIDYSVHSTPTRNHCIYSPPLTTQRVNPFNNTPCDELSGSMYSLPNQTPRLADLEEFEDENYEYDDELGSVDHIHNPKYWITGQMLKNNSTKTSIIKPHTDQQKMENLKIFFSK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.7	Low	64.7	Low	200 Å²	200	118.1 Å²	118.1	99%	0.985	62%	0.623	S	S	*	*				0	-64	0	-75.8	-153.5	-66.9	0	0	112.9	L3 A4 V5	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 2.87Å; M1-A4 WeakPolarHBondContact O-CA 3.47Å; M1-A4 WeakPolarHBondContact O-CB 3.31Å; M1-A4 PolarHBondContact O-N 3.02Å; M1-V5 PolarHBondContact O-N 2.93Å
2	F	66.2	Low	63.1	Low	184 Å²	184	120 Å²	120	81%	0.807	63%	0.632	S	S	*	*	H	α-helix	trans	-49.3	-46.1	-177.1	-93.6	-82.4	0	0	0	114.8	A4 V5 F6	F2-A4 VanDerWaalsContact C-N 3.32Å; F2-A4 PolarHBondContact O-N 3.12Å; F2-V5 PolarHBondContact O-N 2.74Å; F2-F6 PolarHBondContact O-N 3.11Å
3	L	71.2	Confident	61.5	Low	146 Å²	146	120.5 Å²	120.5	76%	0.764	64%	0.635	S	S	*	*	H	α-helix	trans	-61.2	-34.2	174.6	-83.6	159.8	0	0	0	114.2	M1 F6 F7	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 2.87Å; L3-F6 PolarHBondContact O-N 3.14Å; L3-F7 PolarHBondContact O-N 2.95Å
4	A	73.5	Confident	59.9	Low	65 Å²	65	123.8 Å²	123.8	54%	0.537	65%	0.645	S	S	.	*	H	α-helix	trans	-76	-32.7	177.5	0	0	0	0	0	112	M1 F2 A8	M1-A4 WeakPolarHBondContact O-CA 3.47Å; M1-A4 WeakPolarHBondContact O-CB 3.31Å; M1-A4 PolarHBondContact O-N 3.02Å; F2-A4 VanDerWaalsContact C-N 3.32Å; F2-A4 PolarHBondContact O-N 3.12Å; A4-A8 VanDerWaalsContact O-CB 3.28Å; A4-A8 WeakPolarHBondContact O-CB 3.28Å; A4-A8 PolarHBondContact O-N 2.98Å
5	V	79.8	Confident	58.8	Low	88 Å²	88	122.7 Å²	122.7	53%	0.533	65%	0.652	S	S	.	*	H	α-helix	trans	-67.1	-40.7	170.5	177.7	0	0	0	0	110.2	M1 F2 A8 L9	M1-V5 PolarHBondContact O-N 2.93Å; F2-V5 PolarHBondContact O-N 2.74Å; V5-A8 PolarHBondContact O-N 3.05Å; V5-L9 WeakPolarHBondContact O-CB 3.48Å; V5-L9 PolarHBondContact O-N 2.68Å
6	F	75.2	Confident	58.1	Low	144 Å²	144	118.2 Å²	118.2	63%	0.632	64%	0.644	S	S	*	*	H	α-helix	trans	-62.1	-48	173.8	-113.1	-84.4	0	0	0	112.2	F2 L3 A8 L9 S10	F2-F6 PolarHBondContact O-N 3.11Å; L3-F6 PolarHBondContact O-N 3.14Å; F6-A8 PolarHBondContact O-N 2.72Å; F6-L9 PolarHBondContact O-N 3.04Å; F6-S10 PolarHBondContact O-N 3Å; F6-S10 PolarHBondContact O-OG 3.28Å
7	F	67.2	Low	57.8	Low	147 Å²	147	115.6 Å²	115.6	65%	0.645	63%	0.633	S	S	*	*	H	α-helix	trans	-60.5	-42.6	175.7	-112.2	-87.7	0	0	0	112.4	L3 S10 I11	L3-F7 PolarHBondContact O-N 2.95Å; F7-S10 PolarHBondContact O-N 2.8Å; F7-I11 HydrophobicContact CD1-CD1 4.33Å; F7-I11 WeakPolarHBondContact O-CD1 3.44Å; F7-I11 VanDerWaalsContact O-CG1 3.25Å; F7-I11 WeakPolarHBondContact O-CG1 3.39Å; F7-I11 PolarHBondContact O-N 2.75Å
8	A	62.5	Low	58.3	Low	47 Å²	47	111.9 Å²	111.9	39%	0.388	62%	0.616	S	S	.	*	H	α-helix	trans	-65.2	-37.4	175.7	0	0	0	0	0	112.4	A4 V5 F6 L12	A4-A8 VanDerWaalsContact O-CB 3.28Å; A4-A8 WeakPolarHBondContact O-CB 3.28Å; A4-A8 PolarHBondContact O-N 2.98Å; V5-A8 PolarHBondContact O-N 3.05Å; F6-A8 PolarHBondContact O-N 2.72Å; A8-L12 WeakPolarHBondContact O-CB 3.26Å; A8-L12 WeakPolarHBondContact O-CD1 3.48Å; A8-L12 WeakPolarHBondContact O-CG 3.14Å; A8-L12 PolarHBondContact O-N 3.28Å
9	L	57.3	Low	59.4	Low	92 Å²	92	106.2 Å²	106.2	48%	0.482	58%	0.584	S	S	.	*	H	α-helix	trans	-68	-41.2	174.5	-123.3	78	0	0	0	111.8	V5 F6 L12 L13	V5-L9 WeakPolarHBondContact O-CB 3.48Å; V5-L9 PolarHBondContact O-N 2.68Å; F6-L9 PolarHBondContact O-N 3.04Å; L9-L12 CarbonylContact O-C 3.22Å; L9-L12 PolarHBondContact O-N 2.93Å; L9-L12 VanDerWaalsContact O-N 3.17Å; L9-L13 HydrophobicContact CB-CD1 4.43Å; L9-L13 HydrophobicContact CD2-CD1 4.19Å; L9-L13 HydrophobicContact CG-CD1 4.21Å; L9-L13 VanDerWaalsContact O-CB 3.28Å; L9-L13 WeakPolarHBondContact O-CB 3.19Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 2.99Å
10	S	53.8	Low	60.7	Low	65 Å²	65	104.8 Å²	104.8	46%	0.455	57%	0.574	S	S	.	*	H	α-helix	trans	-60.1	-45.8	175	-67.8	0	0	0	0	111.4	F6 F7 L12 L13 E14	F6-S10 PolarHBondContact O-N 3Å; F6-S10 PolarHBondContact O-OG 3.28Å; F7-S10 PolarHBondContact O-N 2.8Å; S10-L12 VanDerWaalsContact C-N 3.25Å; S10-L12 PolarHBondContact O-N 3.34Å; S10-L13 PolarHBondContact O-N 3.41Å; S10-E14 PolarHBondContact O-N 3.15Å
11	I	51.6	Low	62	Low	121 Å²	121	100.1 Å²	100.1	62%	0.621	55%	0.548	S	S	*	.	H	α-helix	trans	-65.4	-28	176.2	-65.1	163.9	0	0	0	111.9	F7	F7-I11 HydrophobicContact CD1-CD1 4.33Å; F7-I11 WeakPolarHBondContact O-CD1 3.44Å; F7-I11 VanDerWaalsContact O-CG1 3.25Å; F7-I11 WeakPolarHBondContact O-CG1 3.39Å; F7-I11 PolarHBondContact O-N 2.75Å
12	L	45	Very low	63.5	Low	141 Å²	141	93.4 Å²	93.4	74%	0.738	52%	0.518	S	S	*	.	H	α-helix	trans	-87.5	-12.2	176.1	-82.4	162.1	0	0	0	114.5	A8 L9 S10	A8-L12 WeakPolarHBondContact O-CB 3.26Å; A8-L12 WeakPolarHBondContact O-CD1 3.48Å; A8-L12 WeakPolarHBondContact O-CG 3.14Å; A8-L12 PolarHBondContact O-N 3.28Å; L9-L12 CarbonylContact O-C 3.22Å; L9-L12 PolarHBondContact O-N 2.93Å; L9-L12 VanDerWaalsContact O-N 3.17Å; S10-L12 VanDerWaalsContact C-N 3.25Å; S10-L12 PolarHBondContact O-N 3.34Å
13	L	42.3	Very low	64	Low	127 Å²	127	86.2 Å²	86.2	67%	0.665	49%	0.486	S	S	*	.	H	α-helix	trans	-102.2	-13.5	-179	-80.8	161.5	0	0	0	113.2	L9 S10 S15	L9-L13 HydrophobicContact CB-CD1 4.43Å; L9-L13 HydrophobicContact CD2-CD1 4.19Å; L9-L13 HydrophobicContact CG-CD1 4.21Å; L9-L13 VanDerWaalsContact O-CB 3.28Å; L9-L13 WeakPolarHBondContact O-CB 3.19Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 2.99Å; S10-L13 PolarHBondContact O-N 3.41Å; L13-S15 PolarHBondContact O-N 3.35Å
14	E	39.6	Very low	64	Low	166 Å²	166	82.7 Å²	82.7	78%	0.776	47%	0.472	S	S	*	.			trans	-79	64.4	161.9	-71.8	-178.4	175.2	0	0	110.4	S10 G16	S10-E14 PolarHBondContact O-N 3.15Å; E14-G16 PolarHBondContact O-N 2.89Å
15	S	43.3	Very low	63.6	Low	107 Å²	107	86.1 Å²	86.1	75%	0.748	49%	0.49	S	S	*	.			trans	-69.8	75.1	158.3	61	0	0	0	0	108.4	L13 T17	L13-S15 PolarHBondContact O-N 3.35Å; S15-T17 PolarHBondContact O-N 3.46Å
16	G	48	Very low	62.6	Low	51 Å²	51	86 Å²	86	53%	0.526	51%	0.508	S	S	.	.			trans	-55.7	129.3	179.7	0	0	0	0	0	110.9	E14 C18	E14-G16 PolarHBondContact O-N 2.89Å; G16-C18 PolarHBondContact O-N 2.93Å; G16-C18 VanDerWaalsContact O-N 3.08Å
17	T	52.6	Low	62.2	Low	75 Å²	75	84.7 Å²	84.7	46%	0.46	50%	0.503	S	S	.	.			trans	-72.9	97.7	172.7	49.2	0	0	0	0	108.2	S15 I19 T118	S15-T17 PolarHBondContact O-N 3.46Å; T17-I19 PolarHBondContact O-N 2.99Å; T17-T118 WeakPolarHBondContact CG2-O 3.49Å
18	C	67.1	Low	62.6	Low	49 Å²	49	81.8 Å²	81.8	33%	0.331	50%	0.499	S	S	.	.	S	Bend	trans	-64.1	13.2	-175.9	-51.6	0	0	0	0	115.6	G16 P52 D53	G16-C18 PolarHBondContact O-N 2.93Å; G16-C18 VanDerWaalsContact O-N 3.08Å; C18-P52 CarbonylContact O-C 3.59Å; C18-P52 WeakPolarHBondContact O-CA 3.37Å; C18-D53 PolarHBondContact O-N 3.19Å
19	I	79.3	Confident	63.6	Low	2 Å²	2	85.3 Å²	85.3	1%	0.01	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	127.7	179.3	-174.8	174.6	0	0	0	108.8	T17 A50 A51 V60 A109 D111 T119	T17-I19 PolarHBondContact O-N 2.99Å; I19-A50 HydrophobicContact CD1-CB 4.19Å; I19-A50 HydrophobicContact CG1-CB 4.23Å; I19-A51 WeakPolarHBondContact CA-O 3.45Å; I19-V60 HydrophobicContact CD1-CG1 4.27Å; I19-V60 HydrophobicContact CD1-CG2 3.93Å; I19-A109 HydrophobicContact CD1-CB 4.28Å; I19-D111 HydrophobicContact CD1-CB 4.5Å; I19-T119 HydrophobicContact CB-CG2 4.38Å; I19-T119 HydrophobicContact CD1-CG2 4.38Å; I19-T119 HydrophobicContact CG1-CG2 3.92Å; I19-T119 HydrophobicContact CG2-CG2 3.97Å; I19-T119 WeakPolarHBondContact O-CG2 3.44Å
20	E	84.2	Confident	65.1	Low	79 Å²	79	83 Å²	83	37%	0.369	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	153.1	177.6	-166.5	172.1	-158.2	0	0	111.7	K29 A50 A51	E20-K29 IonicContact OE1-NZ 3.12Å; E20-K29 PolarHBondContact OE1-NZ 2.68Å; E20-A50 CarbonylContact O-C 3.45Å; E20-A50 VanDerWaalsContact O-CA 3.29Å; E20-A50 WeakPolarHBondContact O-CA 3.33Å; E20-A51 PolarHBondContact N-O 3.21Å; E20-A51 PolarHBondContact O-N 2.76Å
21	F	88.2	Confident	67	Low	7 Å²	7	79.9 Å²	79.9	3%	0.031	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	129.8	167.2	-76.6	-73.8	0	0	0	111.6	F23 Y31 I48 Q49 A50 F63 I107 A109 T119 S120 V122	F21-F23 HydrophobicContact CB-CD2 4.17Å; F21-F23 HydrophobicContact CB-CE2 3.7Å; F21-F23 WeakPolarHBondContact O-CD2 3.35Å; F21-F23 PolarHBondContact O-N 3.4Å; F21-Y31 AromaticContact CD1-CE2 3.99Å; F21-Y31 HydrophobicContact CD1-CE2 3.99Å; F21-Y31 WeakPolarHBondContact CD1-OH 3.4Å; F21-Y31 HydrophobicContact CE1-CE2 4.34Å; F21-Y31 HydrophobicContact CG-CE2 4.4Å; F21-I48 HydrophobicContact CE1-CG2 4.26Å; F21-Q49 WeakPolarHBondContact CA-O 3.42Å; F21-A50 HydrophobicContact CD1-CB 4.27Å; F21-A50 HydrophobicContact CE1-CB 4.48Å; F21-F63 HydrophobicContact CE1-CD1 4.2Å; F21-F63 AromaticContact CE1-CE1 3.76Å; F21-F63 HydrophobicContact CE1-CE1 3.76Å; F21-F63 HydrophobicContact CZ-CD1 4.47Å; F21-F63 HydrophobicContact CZ-CE1 4.38Å; F21-I107 HydrophobicContact CD1-CD1 4.36Å; F21-I107 HydrophobicContact CE1-CD1 3.43Å; F21-I107 VanDerWaalsContact CE1-CD1 3.43Å; F21-I107 HydrophobicContact CE1-CG1 4.1Å; F21-I107 HydrophobicContact CE2-CG1 4.37Å; F21-I107 HydrophobicContact CZ-CB 4.24Å; F21-I107 HydrophobicContact CZ-CD1 3.56Å; F21-I107 HydrophobicContact CZ-CG1 3.69Å; F21-A109 HydrophobicContact CE1-CB 4.35Å; F21-A109 HydrophobicContact CZ-CB 4.15Å; F21-T119 HydrophobicContact CD2-CG2 4.11Å; F21-T119 HydrophobicContact CE2-CG2 4.11Å; F21-T119 WeakPolarHBondContact CE2-OG1 3.41Å; F21-S120 WeakPolarHBondContact CE2-O 3.12Å; F21-V122 HydrophobicContact CB-CG2 4.32Å; F21-V122 HydrophobicContact CD2-CB 3.97Å; F21-V122 HydrophobicContact CD2-CG2 3.32Å; F21-V122 HydrophobicContact CE2-CB 4.03Å; F21-V122 HydrophobicContact CE2-CG2 3.8Å; F21-V122 HydrophobicContact CG-CG2 4.03Å
22	V	85	Confident	68.8	Low	58 Å²	58	76.4 Å²	76.4	35%	0.352	46%	0.456	S	S	.	.			trans	-79.9	118.8	-178.4	-175	0	0	0	0	110.1	Q49 A51	V22-Q49 HydrophobicContact CB-CB 4.22Å; V22-Q49 HydrophobicContact CB-CG 4.28Å; V22-Q49 HydrophobicContact CG2-CB 4.42Å; V22-Q49 HydrophobicContact CG2-CG 4.01Å; V22-Q49 PolarHBondContact N-O 3.27Å; V22-A51 HydrophobicContact CG2-CB 3.66Å
23	F	78.2	Confident	71	Confident	34 Å²	34	69.7 Å²	69.7	15%	0.149	42%	0.421	C	S	.	.			trans	-121.7	142.7	175.1	-78.5	-82.3	0	0	0	111.2	F21 K29 Y31 P46 V122	F21-F23 HydrophobicContact CB-CD2 4.17Å; F21-F23 HydrophobicContact CB-CE2 3.7Å; F21-F23 WeakPolarHBondContact O-CD2 3.35Å; F21-F23 PolarHBondContact O-N 3.4Å; F23-K29 HydrophobicContact CD2-CB 4.19Å; F23-K29 HydrophobicContact CD2-CG 3.94Å; F23-K29 HydrophobicContact CE2-CB 3.97Å; F23-K29 HydrophobicContact CE2-CG 4.22Å; F23-K29 HydrophobicContact CG-CG 4.33Å; F23-K29 HydrophobicContact CZ-CB 4.28Å; F23-Y31 HydrophobicContact CE1-CD1 4.36Å; F23-Y31 HydrophobicContact CE1-CE1 4.14Å; F23-Y31 HydrophobicContact CE1-CE2 4.46Å; F23-Y31 HydrophobicContact CE2-CE2 4.33Å; F23-Y31 HydrophobicContact CZ-CD1 4.48Å; F23-Y31 HydrophobicContact CZ-CD2 4.1Å; F23-Y31 HydrophobicContact CZ-CE1 4.14Å; F23-Y31 AromaticContact CZ-CE2 3.7Å; F23-Y31 HydrophobicContact CZ-CE2 3.7Å; F23-Y31 HydrophobicContact CZ-CG 4.47Å; F23-Y31 AromaticContact CZ-CZ 3.71Å; F23-P46 HydrophobicContact CD1-CG 3.83Å; F23-P46 HydrophobicContact CE1-CG 3.9Å; F23-V122 HydrophobicContact CE2-CG1 4.17Å; F23-V122 HydrophobicContact CE2-CG2 4.36Å; F23-V122 HydrophobicContact CZ-CG1 3.75Å
24	P	70.9	Confident	73.2	Confident	71 Å²	71	64.5 Å²	64.5	46%	0.461	39%	0.393	S	S	.	.			trans	-62.2	140.4	171.1	-17.8	30.1	0	0	0	111.3	G26 Q27 P46	P24-G26 PolarHBondContact O-N 2.76Å; P24-Q27 HydrophobicContact CB-CG 3.88Å; P24-Q27 HydrophobicContact CG-CG 4.19Å; P24-Q27 WeakPolarHBondContact O-CB 3.28Å; P24-Q27 WeakPolarHBondContact O-CG 3.18Å; P24-Q27 PolarHBondContact O-N 2.68Å; P24-Q27 VanDerWaalsContact O-N 3.07Å; P24-P46 HydrophobicContact CG-CB 4.48Å
25	C	63.9	Low	75.6	Confident	137 Å²	137	56.7 Å²	56.7	93%	0.926	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	129.1	-176.4	-63	0	0	0	0	112.7	Q27	C25-Q27 VanDerWaalsContact C-N 3.3Å; C25-Q27 PolarHBondContact O-N 3.37Å
26	G	58.8	Low	77.6	Confident	87 Å²	87	51.7 Å²	51.7	90%	0.897	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-2	178.8	0	0	0	0	0	115.9	P24	P24-G26 PolarHBondContact O-N 2.76Å
27	Q	66.7	Low	79.3	Confident	115 Å²	115	51 Å²	51	54%	0.537	31%	0.305	S	S	.	.	S	Bend	trans	-76.8	149.7	170.4	-65.9	-70	-34.7	0	0	111.3	P24 C25	P24-Q27 HydrophobicContact CB-CG 3.88Å; P24-Q27 HydrophobicContact CG-CG 4.19Å; P24-Q27 WeakPolarHBondContact O-CB 3.28Å; P24-Q27 WeakPolarHBondContact O-CG 3.18Å; P24-Q27 PolarHBondContact O-N 2.68Å; P24-Q27 VanDerWaalsContact O-N 3.07Å; C25-Q27 VanDerWaalsContact C-N 3.3Å; C25-Q27 PolarHBondContact O-N 3.37Å
28	P	76.1	Confident	80.6	Confident	87 Å²	87	54.7 Å²	54.7	57%	0.565	32%	0.322	S	S	*	.			trans	-65.9	141.9	168.9	29.4	-34.4	0	0	0	110.7	I30	P28-I30 HydrophobicContact CB-CG2 3.99Å; P28-I30 HydrophobicContact CG-CG2 3.94Å; P28-I30 PolarHBondContact O-N 2.79Å
29	K	83.2	Confident	81.4	Confident	121 Å²	121	52.7 Å²	52.7	53%	0.526	31%	0.309	S	S	.	.	S	Bend	trans	-74.4	68.4	177.6	-62.5	-170.9	178.6	-175.1	0	111.7	E20 F23	E20-K29 IonicContact OE1-NZ 3.12Å; E20-K29 PolarHBondContact OE1-NZ 2.68Å; F23-K29 HydrophobicContact CD2-CB 4.19Å; F23-K29 HydrophobicContact CD2-CG 3.94Å; F23-K29 HydrophobicContact CE2-CB 3.97Å; F23-K29 HydrophobicContact CE2-CG 4.22Å; F23-K29 HydrophobicContact CG-CG 4.33Å; F23-K29 HydrophobicContact CZ-CB 4.28Å
30	I	90.2	Very high	81.7	Confident	42 Å²	42	55.9 Å²	55.9	22%	0.215	33%	0.328	C	S	.	.			trans	-147	140.1	178.3	-176.6	163.4	0	0	0	109.6	P28 P123 R125	P28-I30 HydrophobicContact CB-CG2 3.99Å; P28-I30 HydrophobicContact CG-CG2 3.94Å; P28-I30 PolarHBondContact O-N 2.79Å; I30-P123 HydrophobicContact CB-CG 4.28Å; I30-P123 HydrophobicContact CD1-CB 4.45Å; I30-P123 HydrophobicContact CD1-CG 4.11Å; I30-P123 HydrophobicContact CG1-CB 4.39Å; I30-P123 HydrophobicContact CG1-CG 3.96Å; I30-P123 WeakPolarHBondContact CG1-O 3.01Å; I30-R125 HydrophobicContact CD1-CG 4.15Å
31	Y	92.3	Very high	81.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	142	173.1	-69.7	-70.8	0	0	0	111.1	F21 F23 V44 P46 I48 I107 V122 P123 I124 R125	F21-Y31 AromaticContact CD1-CE2 3.99Å; F21-Y31 HydrophobicContact CD1-CE2 3.99Å; F21-Y31 WeakPolarHBondContact CD1-OH 3.4Å; F21-Y31 HydrophobicContact CE1-CE2 4.34Å; F21-Y31 HydrophobicContact CG-CE2 4.4Å; F23-Y31 HydrophobicContact CE1-CD1 4.36Å; F23-Y31 HydrophobicContact CE1-CE1 4.14Å; F23-Y31 HydrophobicContact CE1-CE2 4.46Å; F23-Y31 HydrophobicContact CE2-CE2 4.33Å; F23-Y31 HydrophobicContact CZ-CD1 4.48Å; F23-Y31 HydrophobicContact CZ-CD2 4.1Å; F23-Y31 HydrophobicContact CZ-CE1 4.14Å; F23-Y31 AromaticContact CZ-CE2 3.7Å; F23-Y31 HydrophobicContact CZ-CE2 3.7Å; F23-Y31 HydrophobicContact CZ-CG 4.47Å; F23-Y31 AromaticContact CZ-CZ 3.71Å; Y31-V44 HydrophobicContact CD1-CG1 3.8Å; Y31-V44 HydrophobicContact CG-CG1 4.01Å; Y31-P46 HydrophobicContact CD1-CG 4.02Å; Y31-P46 WeakPolarHBondContact CD1-O 3.38Å; Y31-P46 HydrophobicContact CE1-CG 3.79Å; Y31-P46 WeakPolarHBondContact CE1-O 3.18Å; Y31-I48 HydrophobicContact CD1-CG1 4.47Å; Y31-I48 HydrophobicContact CE1-CG1 4.38Å; Y31-I107 HydrophobicContact CD2-CD1 3.95Å; Y31-I107 HydrophobicContact CD2-CG1 4.42Å; Y31-I107 HydrophobicContact CE2-CD1 3.77Å; Y31-I107 HydrophobicContact CE2-CG1 4.47Å; Y31-V122 HydrophobicContact CD2-CG1 3.53Å; Y31-V122 HydrophobicContact CE2-CB 4.41Å; Y31-V122 HydrophobicContact CE2-CG1 3.68Å; Y31-P123 PolarHBondContact N-O 3.38Å; Y31-I124 HydrophobicContact CD2-CG1 4.22Å; Y31-I124 HydrophobicContact CG-CG1 4.46Å; Y31-I124 WeakPolarHBondContact O-CA 3.02Å; Y31-R125 PolarHBondContact O-N 2.86Å
32	V	90	Very high	82	Confident	49 Å²	49	52.4 Å²	52.4	30%	0.297	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.8	170.7	-173.5	0	0	0	0	108.7	Y34 V44 I45	V32-Y34 HydrophobicContact CB-CE2 4.25Å; V32-Y34 HydrophobicContact CG1-CD2 4.43Å; V32-Y34 HydrophobicContact CG1-CE1 4.4Å; V32-Y34 HydrophobicContact CG1-CE2 3.66Å; V32-V44 CarbonylContact O-C 3.54Å; V32-V44 WeakPolarHBondContact O-CA 3.45Å; V32-I45 PolarHBondContact N-O 2.92Å; V32-I45 PolarHBondContact O-N 3Å
33	G	90.3	Very high	82.1	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	140.8	178.3	0	0	0	0	0	111.8	H43 R125 V126 Q127	G33-H43 CarbonylContact C-O 3.51Å; G33-H43 WeakPolarHBondContact CA-O 3.36Å; G33-R125 PolarHBondContact N-O 2.97Å; G33-V126 CarbonylContact O-C 3.5Å; G33-V126 WeakPolarHBondContact O-CA 3.41Å; G33-Q127 PolarHBondContact O-N 2.79Å
34	Y	89.3	Confident	82.7	Confident	17 Å²	17	50.1 Å²	50.1	7%	0.067	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.5	176.2	-60.2	-92	0	0	0	109	V32 H43 I45 I129 D137 I161	V32-Y34 HydrophobicContact CB-CE2 4.25Å; V32-Y34 HydrophobicContact CG1-CD2 4.43Å; V32-Y34 HydrophobicContact CG1-CE1 4.4Å; V32-Y34 HydrophobicContact CG1-CE2 3.66Å; Y34-H43 PolarHBondContact N-O 3.37Å; Y34-H43 PolarHBondContact O-N 2.92Å; Y34-I45 HydrophobicContact CD2-CD1 4.5Å; Y34-I45 HydrophobicContact CE2-CD1 4.07Å; Y34-I45 HydrophobicContact CE2-CG1 4.43Å; Y34-I129 HydrophobicContact CD1-CD1 4.08Å; Y34-I129 HydrophobicContact CG-CD1 4.43Å; Y34-D137 PolarHBondContact OH-O 2.74Å; Y34-I161 HydrophobicContact CD1-CD1 4.11Å; Y34-I161 HydrophobicContact CD2-CD1 3.44Å; Y34-I161 VanDerWaalsContact CD2-CD1 3.44Å; Y34-I161 HydrophobicContact CE1-CD1 4.03Å; Y34-I161 HydrophobicContact CE2-CD1 3.37Å; Y34-I161 HydrophobicContact CG-CD1 3.81Å
35	L	89	Confident	83.4	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	113	-178.4	176.8	70.1	0	0	0	109.6	A39 V42 F73 V89 I97 V126 Q127 V128 I129	L35-A39 HydrophobicContact CD1-CB 3.98Å; L35-V42 HydrophobicContact CB-CG1 4.5Å; L35-V42 HydrophobicContact CB-CG2 4.33Å; L35-V42 HydrophobicContact CD1-CG2 4.07Å; L35-F73 HydrophobicContact CD2-CE1 4.05Å; L35-F73 HydrophobicContact CD2-CZ 4.32Å; L35-V89 HydrophobicContact CD1-CG2 3.74Å; L35-V89 HydrophobicContact CD2-CG2 3.94Å; L35-I97 HydrophobicContact CD2-CD1 3.73Å; L35-I97 HydrophobicContact CD2-CG2 4Å; L35-V126 HydrophobicContact CB-CG1 3.97Å; L35-Q127 PolarHBondContact N-O 3.26Å; L35-V128 HydrophobicContact CD2-CG2 4.39Å; L35-V128 CarbonylContact O-C 3.58Å; L35-V128 VanDerWaalsContact O-CA 3.3Å; L35-V128 WeakPolarHBondContact O-CA 3.41Å; L35-I129 PolarHBondContact O-N 2.96Å
36	W	86.8	Confident	84.4	Confident	3 Å²	3	43.6 Å²	43.6	1%	0.011	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	143.4	168.4	-69.8	-104.1	0	0	0	110.1	N38 A39 H43 I129 R131 G133 I161 E162 E163	W36-N38 PolarHBondContact O-N 2.7Å; W36-A39 HydrophobicContact CB-CB 4.11Å; W36-A39 VanDerWaalsContact O-CB 3.24Å; W36-A39 WeakPolarHBondContact O-CB 3.48Å; W36-A39 PolarHBondContact O-N 2.8Å; W36-H43 HydrophobicContact CZ3-CB 4Å; W36-I129 WeakPolarHBondContact CA-O 3.31Å; W36-I129 HydrophobicContact CD2-CD1 4.15Å; W36-I129 HydrophobicContact CG-CB 4.32Å; W36-I129 HydrophobicContact CG-CG2 4.48Å; W36-I129 HydrophobicContact CH2-CD1 4.21Å; W36-I129 HydrophobicContact CZ2-CD1 3.8Å; W36-R131 VanDerWaalsContact CD1-O 3.27Å; W36-G133 PolarHBondContact NE1-O 2.68Å; W36-I161 HydrophobicContact CH2-CB 4.36Å; W36-I161 HydrophobicContact CH2-CG2 3.77Å; W36-E162 WeakPolarHBondContact CH2-O 3.37Å; W36-E162 WeakPolarHBondContact CZ2-O 3.47Å; W36-E163 HydrophobicContact CB-CG 4.43Å; W36-E163 HydrophobicContact CD2-CB 4.24Å; W36-E163 HydrophobicContact CD2-CG 3.95Å; W36-E163 HydrophobicContact CG-CB 4.48Å; W36-E163 HydrophobicContact CG-CG 3.77Å; W36-E163 HydrophobicContact CZ2-CB 4.27Å
37	I	82.8	Confident	85.8	Confident	37 Å²	37	47.8 Å²	47.8	19%	0.19	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	128.6	179.1	-167.5	162.3	0	0	0	110.2	A39 K99 I129	I37-A39 VanDerWaalsContact C-N 3.32Å; I37-K99 HydrophobicContact CD1-CD 4.44Å; I37-K99 HydrophobicContact CD1-CG 3.5Å; I37-I129 PolarHBondContact N-O 2.82Å
38	N	79.8	Confident	87	Confident	151 Å²	151	42.4 Å²	42.4	81%	0.807	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	1.5	-170.9	-36.6	-68.3	0	0	0	116.8	W36	W36-N38 PolarHBondContact O-N 2.7Å
39	A	84.7	Confident	87.8	Confident	7 Å²	7	40.5 Å²	40.5	6%	0.058	20%	0.2	C	C	.	.			trans	-70.2	153.3	169.8	0	0	0	0	0	111.6	L35 W36 I37	L35-A39 HydrophobicContact CD1-CB 3.98Å; W36-A39 HydrophobicContact CB-CB 4.11Å; W36-A39 VanDerWaalsContact O-CB 3.24Å; W36-A39 WeakPolarHBondContact O-CB 3.48Å; W36-A39 PolarHBondContact O-N 2.8Å; I37-A39 VanDerWaalsContact C-N 3.32Å
40	T	85.6	Confident	88	Confident	69 Å²	69	34.7 Å²	34.7	42%	0.423	18%	0.175	S	C	.	.	S	Bend	trans	-100.3	-15.6	177.8	55.6	0	0	0	0	113.5	R88 V89	T40-R88 CarbonylContact O-C 3.52Å; T40-R88 WeakPolarHBondContact O-CA 3.41Å; T40-V89 PolarHBondContact O-N 2.96Å
41	V	88.6	Confident	87.7	Confident	10 Å²	10	34.3 Å²	34.3	6%	0.061	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.2	-179.3	-172.3	0	0	0	0	109.2	E86 R88	V41-E86 HydrophobicContact CG1-CG 4.22Å; V41-R88 HydrophobicContact CG1-CG 4.5Å; V41-R88 HydrophobicContact CG2-CG 4.29Å
42	V	89.7	Confident	86.8	Confident	3 Å²	3	36 Å²	36	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.8	171.6	-173.8	0	0	0	0	108.2	L35 V44 F73 L87 V126	L35-V42 HydrophobicContact CB-CG1 4.5Å; L35-V42 HydrophobicContact CB-CG2 4.33Å; L35-V42 HydrophobicContact CD1-CG2 4.07Å; V42-V44 HydrophobicContact CB-CG2 4.35Å; V42-V44 HydrophobicContact CG1-CG2 4.07Å; V42-V44 PolarHBondContact O-N 2.92Å; V42-F73 HydrophobicContact CG2-CD1 3.76Å; V42-F73 HydrophobicContact CG2-CE1 3.53Å; V42-L87 HydrophobicContact CB-CB 4.12Å; V42-L87 HydrophobicContact CB-CD2 4.03Å; V42-L87 HydrophobicContact CB-CG 4.19Å; V42-L87 WeakPolarHBondContact CB-O 3.27Å; V42-L87 HydrophobicContact CG1-CD2 4.13Å; V42-L87 HydrophobicContact CG2-CB 4.42Å; V42-L87 HydrophobicContact CG2-CD2 3.97Å; V42-L87 HydrophobicContact CG2-CG 4.01Å; V42-L87 PolarHBondContact N-O 3.14Å; V42-V126 HydrophobicContact CG1-CG1 3.82Å; V42-V126 HydrophobicContact CG1-CG2 4.26Å; V42-V126 HydrophobicContact CG2-CG1 4.38Å
43	H	88.2	Confident	85.6	Confident	32 Å²	32	38.8 Å²	38.8	15%	0.148	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	107.3	174	-176.7	-72.7	0	0	0	109.8	G33 Y34 W36 I161	G33-H43 CarbonylContact C-O 3.51Å; G33-H43 WeakPolarHBondContact CA-O 3.36Å; Y34-H43 PolarHBondContact N-O 3.37Å; Y34-H43 PolarHBondContact O-N 2.92Å; W36-H43 HydrophobicContact CZ3-CB 4Å; H43-I161 HydrophobicContact CB-CG2 4.27Å; H43-I161 WeakPolarHBondContact ND1-CG2 3.37Å
44	V	90.3	Very high	84.3	Confident	12 Å²	12	45.2 Å²	45.2	7%	0.073	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.7	-175.4	-170.8	0	0	0	0	112	Y31 V32 V42 P46 I48 L87 I124	Y31-V44 HydrophobicContact CD1-CG1 3.8Å; Y31-V44 HydrophobicContact CG-CG1 4.01Å; V32-V44 CarbonylContact O-C 3.54Å; V32-V44 WeakPolarHBondContact O-CA 3.45Å; V42-V44 HydrophobicContact CB-CG2 4.35Å; V42-V44 HydrophobicContact CG1-CG2 4.07Å; V42-V44 PolarHBondContact O-N 2.92Å; V44-P46 CarbonylContact C-O 3.57Å; V44-P46 CarbonylContact O-C 3.56Å; V44-I48 HydrophobicContact CB-CD1 4.46Å; V44-I48 HydrophobicContact CB-CG1 4.22Å; V44-I48 HydrophobicContact CG1-CD1 4.35Å; V44-I48 HydrophobicContact CG1-CG1 3.92Å; V44-I48 HydrophobicContact CG2-CD1 4.19Å; V44-I48 HydrophobicContact CG2-CG1 4.5Å; V44-L87 HydrophobicContact CG2-CB 3.95Å; V44-L87 HydrophobicContact CG2-CD2 4.38Å; V44-I124 HydrophobicContact CG1-CG2 4.48Å
45	I	84.9	Confident	82.6	Confident	39 Å²	39	50.2 Å²	50.2	20%	0.2	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.1	178.5	-55.2	-177.5	0	0	0	110	V32 Y34 D137 I161	V32-I45 PolarHBondContact N-O 2.92Å; V32-I45 PolarHBondContact O-N 3Å; Y34-I45 HydrophobicContact CD2-CD1 4.5Å; Y34-I45 HydrophobicContact CE2-CD1 4.07Å; Y34-I45 HydrophobicContact CE2-CG1 4.43Å; I45-D137 HydrophobicContact CD1-CB 4.42Å; I45-I161 HydrophobicContact CD1-CD1 3.57Å; I45-I161 HydrophobicContact CD1-CG1 3.91Å
46	P	84.4	Confident	81	Confident	33 Å²	33	56.2 Å²	56.2	21%	0.214	30%	0.299	C	S	.	.	S	Bend	cis	-59	168.9	-16.7	26.2	-31.2	0	0	0	111.1	F23 P24 Y31 V44	F23-P46 HydrophobicContact CD1-CG 3.83Å; F23-P46 HydrophobicContact CE1-CG 3.9Å; P24-P46 HydrophobicContact CG-CB 4.48Å; Y31-P46 HydrophobicContact CD1-CG 4.02Å; Y31-P46 WeakPolarHBondContact CD1-O 3.38Å; Y31-P46 HydrophobicContact CE1-CG 3.79Å; Y31-P46 WeakPolarHBondContact CE1-O 3.18Å; V44-P46 CarbonylContact C-O 3.57Å; V44-P46 CarbonylContact O-C 3.56Å
47	R	88.8	Confident	79.8	Confident	174 Å²	174	62.5 Å²	62.5	66%	0.657	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-59.1	143.5	175.2	-75	-172.9	173.1	-167.8	-3.6	109.9	Q49	R47-Q49 PolarHBondContact O-N 2.78Å; R47-Q49 VanDerWaalsContact O-N 3.16Å
48	I	92.9	Very high	79.1	Confident	2 Å²	2	63 Å²	63	1%	0.01	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	117.1	177.8	-57.3	171.2	0	0	0	107.8	F21 Y31 V44 F63 A85 L87 I107 I124	F21-I48 HydrophobicContact CE1-CG2 4.26Å; Y31-I48 HydrophobicContact CD1-CG1 4.47Å; Y31-I48 HydrophobicContact CE1-CG1 4.38Å; V44-I48 HydrophobicContact CB-CD1 4.46Å; V44-I48 HydrophobicContact CB-CG1 4.22Å; V44-I48 HydrophobicContact CG1-CD1 4.35Å; V44-I48 HydrophobicContact CG1-CG1 3.92Å; V44-I48 HydrophobicContact CG2-CD1 4.19Å; V44-I48 HydrophobicContact CG2-CG1 4.5Å; I48-F63 HydrophobicContact CG2-CD1 4.3Å; I48-F63 HydrophobicContact CG2-CE1 3.91Å; I48-F63 HydrophobicContact CG2-CZ 4.37Å; I48-A85 HydrophobicContact CB-CB 4.3Å; I48-A85 HydrophobicContact CG2-CB 4.02Å; I48-A85 PolarHBondContact O-N 2.86Å; I48-L87 HydrophobicContact CD1-CB 4.11Å; I48-I107 HydrophobicContact CD1-CD1 4.29Å; I48-I107 HydrophobicContact CG1-CD1 4.35Å; I48-I107 HydrophobicContact CG2-CD1 3.72Å; I48-I124 HydrophobicContact CD1-CD1 3.88Å
49	Q	91.6	Very high	79.3	Confident	47 Å²	47	60.4 Å²	60.4	22%	0.22	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	132.9	177.3	-171.5	-179.5	10.9	0	0	109.3	F21 V22 R47 Y82 G83 F84	F21-Q49 WeakPolarHBondContact CA-O 3.42Å; V22-Q49 HydrophobicContact CB-CB 4.22Å; V22-Q49 HydrophobicContact CB-CG 4.28Å; V22-Q49 HydrophobicContact CG2-CB 4.42Å; V22-Q49 HydrophobicContact CG2-CG 4.01Å; V22-Q49 PolarHBondContact N-O 3.27Å; R47-Q49 PolarHBondContact O-N 2.78Å; R47-Q49 VanDerWaalsContact O-N 3.16Å; Q49-Y82 WeakPolarHBondContact CG-O 3.34Å; Q49-Y82 PolarHBondContact NE2-O 3.14Å; Q49-G83 WeakPolarHBondContact CA-O 3.45Å; Q49-F84 HydrophobicContact CB-CD1 3.87Å; Q49-F84 HydrophobicContact CB-CE1 3.92Å; Q49-F84 HydrophobicContact CG-CD1 3.87Å; Q49-F84 HydrophobicContact CG-CE1 3.76Å; Q49-F84 HydrophobicContact CG-CZ 4.4Å
50	A	89	Confident	79.4	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145	166.5	0	0	0	0	0	109.5	I19 E20 F21 V60 F63 G83 A109	I19-A50 HydrophobicContact CD1-CB 4.19Å; I19-A50 HydrophobicContact CG1-CB 4.23Å; E20-A50 CarbonylContact O-C 3.45Å; E20-A50 VanDerWaalsContact O-CA 3.29Å; E20-A50 WeakPolarHBondContact O-CA 3.33Å; F21-A50 HydrophobicContact CD1-CB 4.27Å; F21-A50 HydrophobicContact CE1-CB 4.48Å; A50-V60 HydrophobicContact CB-CG1 4.49Å; A50-V60 HydrophobicContact CB-CG2 4.34Å; A50-V60 WeakPolarHBondContact O-CG2 3.3Å; A50-F63 HydrophobicContact CB-CE1 4.09Å; A50-F63 HydrophobicContact CB-CZ 4.09Å; A50-G83 PolarHBondContact N-O 2.84Å; A50-G83 VanDerWaalsContact N-O 3.13Å; A50-G83 WeakPolarHBondContact O-CA 3.37Å; A50-A109 HydrophobicContact CB-CB 3.7Å
51	A	82.2	Confident	79.5	Confident	33 Å²	33	59.6 Å²	59.6	27%	0.273	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.3	178.9	0	0	0	0	0	110.4	I19 E20 V22	I19-A51 WeakPolarHBondContact CA-O 3.45Å; E20-A51 PolarHBondContact N-O 3.21Å; E20-A51 PolarHBondContact O-N 2.76Å; V22-A51 HydrophobicContact CG2-CB 3.66Å
52	P	73.2	Confident	79.5	Confident	35 Å²	35	67.4 Å²	67.4	23%	0.227	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	152.4	170.1	33.2	-36.3	0	0	0	111.4	C18 E54 N58	C18-P52 CarbonylContact O-C 3.59Å; C18-P52 WeakPolarHBondContact O-CA 3.37Å; P52-E54 VanDerWaalsContact C-N 3.26Å; P52-E54 WeakPolarHBondContact CG-O 3.24Å; P52-E54 PolarHBondContact O-N 3.47Å; P52-N58 HydrophobicContact CB-CB 3.8Å; P52-N58 HydrophobicContact CG-CB 4.02Å
53	D	66.7	Low	79.6	Confident	109 Å²	109	68.2 Å²	68.2	58%	0.583	34%	0.343	S	S	*	.	S	Bend	trans	-62.8	-33.1	175.5	-75.1	-34.3	0	0	0	112.4	C18	C18-D53 PolarHBondContact O-N 3.19Å
54	E	61.5	Low	79.8	Confident	135 Å²	135	72 Å²	72	63%	0.631	36%	0.359	S	S	*	.	S	Bend	trans	-113.6	125.9	175.8	-67	-170	174.6	0	0	110.6	P52 N56	P52-E54 VanDerWaalsContact C-N 3.26Å; P52-E54 WeakPolarHBondContact CG-O 3.24Å; P52-E54 PolarHBondContact O-N 3.47Å; E54-N56 PolarHBondContact O-N 3.25Å; E54-N56 VanDerWaalsContact O-N 3.08Å
55	P	53.6	Low	79.8	Confident	121 Å²	121	73.2 Å²	73.2	79%	0.786	37%	0.365	S	S	*	.			trans	-77.8	11.8	-173	31.7	-37.1	0	0	0	115.1
56	N	55.7	Low	80	Confident	128 Å²	128	73 Å²	73	68%	0.684	36%	0.363	S	S	*	.	S	Bend	trans	-92	107.9	-179.2	-74.2	-22.1	0	0	0	110.9	E54 N58	E54-N56 PolarHBondContact O-N 3.25Å; E54-N56 VanDerWaalsContact O-N 3.08Å; N56-N58 PolarHBondContact O-N 2.8Å
57	D	61.3	Low	79.8	Confident	136 Å²	136	73.6 Å²	73.6	73%	0.727	37%	0.368	S	S	*	.	S	Bend	trans	53.7	0.3	168.8	-69.2	-19.7	0	0	0	119.6	Y59	D57-Y59 PolarHBondContact O-N 2.04Å
58	N	69.3	Low	78.9	Confident	46 Å²	46	71.4 Å²	71.4	25%	0.246	38%	0.376	C	S	.	.			trans	-78.7	119.4	171.4	-75	-27.2	0	0	0	111.6	P52 N56	P52-N58 HydrophobicContact CB-CB 3.8Å; P52-N58 HydrophobicContact CG-CB 4.02Å; N56-N58 PolarHBondContact O-N 2.8Å
59	Y	83.4	Confident	77.6	Confident	97 Å²	97	79.1 Å²	79.1	38%	0.38	41%	0.412	S	S	.	.			trans	-110.7	155.2	178.1	-59.5	-43.5	0	0	0	112.7	D57 Q80 K81 D111 C112	D57-Y59 PolarHBondContact O-N 2.04Å; Y59-Q80 WeakPolarHBondContact CB-O 3.48Å; Y59-Q80 HydrophobicContact CG-CG 4.31Å; Y59-K81 HydrophobicContact CE1-CG 4.22Å; Y59-D111 CarbonylContact O-C 3.5Å; Y59-D111 VanDerWaalsContact O-CA 3.31Å; Y59-D111 WeakPolarHBondContact O-CA 3.36Å; Y59-C112 PolarHBondContact O-N 3.09Å; Y59-C112 PolarHBondContact O-SG 2.97Å; Y59-C112 VanDerWaalsContact O-SG 3.33Å
60	V	86.2	Confident	76.7	Confident	3 Å²	3	81.4 Å²	81.4	2%	0.018	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	116.5	176.7	-172.3	0	0	0	0	109.6	I19 A50 F63 L77 Q80 A109	I19-V60 HydrophobicContact CD1-CG1 4.27Å; I19-V60 HydrophobicContact CD1-CG2 3.93Å; A50-V60 HydrophobicContact CB-CG1 4.49Å; A50-V60 HydrophobicContact CB-CG2 4.34Å; A50-V60 WeakPolarHBondContact O-CG2 3.3Å; V60-F63 HydrophobicContact CG1-CE2 3.81Å; V60-F63 HydrophobicContact CG1-CZ 3.85Å; V60-L77 WeakPolarHBondContact O-CD2 3.45Å; V60-Q80 PolarHBondContact N-O 3.35Å; V60-Q80 VanDerWaalsContact N-O 3.14Å; V60-A109 HydrophobicContact CG1-CB 4.28Å
61	C	87.4	Confident	76.4	Confident	57 Å²	57	82.5 Å²	82.5	39%	0.385	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-26.3	-173.4	-100.9	0	0	0	0	114.8	S110 C112	C61-S110 PolarHBondContact N-O 2.97Å; C61-C112 VanDerWaalsContact CA-SG 3.57Å; C61-C112 HydrophobicContact CB-CB 3.92Å; C61-C112 WeakPolarHBondContact CB-SG 3.34Å; C61-C112 WeakPolarHBondContact SG-CA 3.46Å; C61-C112 WeakPolarHBondContact SG-CB 3.24Å; C61-C112 CovalentContact SG-SG 2.03Å; C61-C112 PolarHBondContact SG-SG 3.05Å
62	R	89.5	Confident	76.6	Confident	174 Å²	174	81.2 Å²	81.2	66%	0.657	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.8	142.9	-175	-171.7	176	-68.1	157.2	1	112.1	A109 S110	R62-A109 CarbonylContact O-C 3.57Å; R62-A109 WeakPolarHBondContact O-CA 3.06Å; R62-S110 PolarHBondContact N-O 2.93Å; R62-S110 PolarHBondContact O-N 3.41Å
63	F	92.7	Very high	77.6	Confident	20 Å²	20	80.1 Å²	80.1	9%	0.088	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	140.6	160.6	-69.3	-87.8	0	0	0	109.5	F21 I48 A50 V60 V75 L77 G83 A85 E108 A109	F21-F63 HydrophobicContact CE1-CD1 4.2Å; F21-F63 AromaticContact CE1-CE1 3.76Å; F21-F63 HydrophobicContact CE1-CE1 3.76Å; F21-F63 HydrophobicContact CZ-CD1 4.47Å; F21-F63 HydrophobicContact CZ-CE1 4.38Å; I48-F63 HydrophobicContact CG2-CD1 4.3Å; I48-F63 HydrophobicContact CG2-CE1 3.91Å; I48-F63 HydrophobicContact CG2-CZ 4.37Å; A50-F63 HydrophobicContact CB-CE1 4.09Å; A50-F63 HydrophobicContact CB-CZ 4.09Å; V60-F63 HydrophobicContact CG1-CE2 3.81Å; V60-F63 HydrophobicContact CG1-CZ 3.85Å; F63-V75 HydrophobicContact CB-CB 3.74Å; F63-V75 HydrophobicContact CB-CG1 3.43Å; F63-V75 VanDerWaalsContact CB-CG1 3.43Å; F63-V75 HydrophobicContact CB-CG2 4.35Å; F63-V75 HydrophobicContact CD2-CG1 4.06Å; F63-V75 HydrophobicContact CG-CG1 3.77Å; F63-L77 HydrophobicContact CD2-CD1 4.17Å; F63-L77 HydrophobicContact CE2-CD1 3.68Å; F63-G83 WeakPolarHBondContact CZ-O 3.34Å; F63-A85 HydrophobicContact CD2-CB 3.59Å; F63-A85 HydrophobicContact CE1-CB 4.48Å; F63-A85 HydrophobicContact CE2-CB 3.45Å; F63-A85 VanDerWaalsContact CE2-CB 3.45Å; F63-A85 HydrophobicContact CG-CB 4.2Å; F63-A85 HydrophobicContact CZ-CB 3.93Å; F63-E108 CarbonylContact C-O 3.56Å; F63-E108 WeakPolarHBondContact CA-O 3.46Å; F63-A109 HydrophobicContact CD1-CB 3.64Å; F63-A109 HydrophobicContact CE1-CB 3.41Å; F63-A109 VanDerWaalsContact CE1-CB 3.41Å; F63-A109 HydrophobicContact CZ-CB 4.12Å
64	K	91	Very high	78.7	Confident	112 Å²	112	79.4 Å²	79.4	49%	0.487	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.1	178.9	-178.5	177.1	177	-178	0	109.4	H66 I107 E108	K64-H66 VanDerWaalsContact CE-CE1 3.47Å; K64-H66 WeakPolarHBondContact CE-CE1 3.38Å; K64-I107 WeakPolarHBondContact O-CA 3.39Å; K64-E108 PolarHBondContact N-O 3.18Å; K64-E108 PolarHBondContact O-N 2.99Å
65	I	90.9	Very high	80.2	Confident	37 Å²	37	74.1 Å²	74.1	19%	0.19	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	133.8	168.7	-61.2	173.5	0	0	0	108.8	F73 V75 L87 L105 E106 I107	I65-F73 HydrophobicContact CD1-CB 3.95Å; I65-F73 VanDerWaalsContact CD1-O 3.28Å; I65-F73 WeakPolarHBondContact CD1-O 3.3Å; I65-V75 HydrophobicContact CD1-CG2 3.96Å; I65-V75 HydrophobicContact CG1-CG2 3.77Å; I65-L87 HydrophobicContact CD1-CD1 3.68Å; I65-L105 HydrophobicContact CG1-CD1 4.4Å; I65-L105 HydrophobicContact CG2-CB 4.06Å; I65-L105 HydrophobicContact CG2-CD1 3.98Å; I65-L105 HydrophobicContact CG2-CG 4.49Å; I65-E106 CarbonylContact C-O 3.5Å; I65-E106 WeakPolarHBondContact CA-O 3.12Å; I65-I107 HydrophobicContact CG1-CG2 4.06Å
66	H	90	Very high	82.1	Confident	33 Å²	33	71.6 Å²	71.6	15%	0.153	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126	160.5	-55.8	-102.4	0	0	0	107.8	K64 E106 E108 R121	K64-H66 VanDerWaalsContact CE-CE1 3.47Å; K64-H66 WeakPolarHBondContact CE-CE1 3.38Å; H66-E106 HydrophobicContact CB-CB 4.25Å; H66-E106 PolarHBondContact N-O 3.1Å; H66-E106 PolarHBondContact O-N 3.09Å; H66-E108 IonicContact CD2-OE2 2.84Å; H66-E108 IonicContact CE1-OE2 3.89Å; H66-E108 PolarHBondContact CE1-OE2 3.06Å; H66-E108 IonicContact NE2-OE2 2.79Å; H66-E108 PolarHBondContact NE2-OE2 3.13Å; H66-R121 PolarHBondContact CE1-NH2 3.27Å; H66-R121 VanDerWaalsContact CE1-NH2 3.34Å; H66-R121 PolarHBondContact ND1-NH2 2.89Å
67	S	79.4	Confident	83.8	Confident	47 Å²	47	68.2 Å²	68.2	33%	0.329	35%	0.348	S	S	.	.			trans	-140.1	144	176.7	-177.1	0	0	0	0	107.8	E69	S67-E69 PolarHBondContact O-N 3.1Å; S67-E69 PolarHBondContact OG-O 2.69Å
68	P	69	Low	85.1	Confident	128 Å²	128	65.9 Å²	65.9	83%	0.831	34%	0.335	S	S	*	.	S	Bend	trans	-66.4	-18.1	177.8	26.2	-34.8	0	0	0	113.7
69	E	66.9	Low	85.9	Confident	164 Å²	164	66.3 Å²	66.3	77%	0.766	34%	0.337	S	S	*	.	S	Bend	trans	-127.7	178.1	179.8	-63.7	-174.5	169.1	0	0	111.1	S67 S71	S67-E69 PolarHBondContact O-N 3.1Å; S67-E69 PolarHBondContact OG-O 2.69Å; E69-S71 VanDerWaalsContact C-N 3.27Å; E69-S71 PolarHBondContact O-N 3.1Å
70	S	71.4	Confident	86	Confident	95 Å²	95	66.1 Å²	66.1	66%	0.664	34%	0.339	S	S	*	.			trans	-67.7	85.8	173.8	64.9	0	0	0	0	110.8
71	S	82.7	Confident	85.8	Confident	23 Å²	23	72.2 Å²	72.2	16%	0.161	37%	0.366	C	S	.	.			trans	-47.1	125.8	171.2	170.5	0	0	0	0	110.1	E69 F73	E69-S71 VanDerWaalsContact C-N 3.27Å; E69-S71 PolarHBondContact O-N 3.1Å; S71-F73 PolarHBondContact O-N 3.16Å; S71-F73 VanDerWaalsContact O-N 3.15Å; S71-F73 WeakPolarHBondContact OG-CB 3.39Å; S71-F73 PolarHBondContact OG-N 2.71Å; S71-F73 PolarHBondContact OG-O 2.77Å
72	P	87.8	Confident	85.6	Confident	5 Å²	5	75.6 Å²	75.6	3%	0.032	37%	0.372	C	S	.	.	S	Bend	trans	-74.1	7.2	170.6	34.1	-36	0	0	0	112.1	V89 D90 L93 I97 F103	P72-V89 CarbonylContact O-C 3.59Å; P72-V89 WeakPolarHBondContact O-CA 2.96Å; P72-D90 PolarHBondContact O-N 2.85Å; P72-L93 HydrophobicContact CB-CB 3.77Å; P72-I97 HydrophobicContact CB-CD1 4.17Å; P72-I97 HydrophobicContact CB-CG1 4.21Å; P72-I97 HydrophobicContact CG-CD1 4.04Å; P72-I97 HydrophobicContact CG-CG1 4.03Å; P72-F103 HydrophobicContact CG-CE1 3.92Å; P72-F103 HydrophobicContact CG-CZ 4.02Å
73	F	92.3	Very high	85.5	Confident	12 Å²	12	67.3 Å²	67.3	5%	0.053	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	150.5	-176.7	-49.7	-80.8	0	0	0	113.4	L35 V42 I65 S71 L87 R88 V89 I97 F103 L105 V126	L35-F73 HydrophobicContact CD2-CE1 4.05Å; L35-F73 HydrophobicContact CD2-CZ 4.32Å; V42-F73 HydrophobicContact CG2-CD1 3.76Å; V42-F73 HydrophobicContact CG2-CE1 3.53Å; I65-F73 HydrophobicContact CD1-CB 3.95Å; I65-F73 VanDerWaalsContact CD1-O 3.28Å; I65-F73 WeakPolarHBondContact CD1-O 3.3Å; S71-F73 PolarHBondContact O-N 3.16Å; S71-F73 VanDerWaalsContact O-N 3.15Å; S71-F73 WeakPolarHBondContact OG-CB 3.39Å; S71-F73 PolarHBondContact OG-N 2.71Å; S71-F73 PolarHBondContact OG-O 2.77Å; F73-L87 HydrophobicContact CB-CD1 3.7Å; F73-L87 HydrophobicContact CB-CG 4.2Å; F73-L87 HydrophobicContact CD1-CD2 4.44Å; F73-L87 HydrophobicContact CD1-CG 4.27Å; F73-L87 HydrophobicContact CG-CD1 4.33Å; F73-L87 HydrophobicContact CG-CG 4.39Å; F73-R88 CarbonylContact C-O 3.29Å; F73-R88 WeakPolarHBondContact CA-O 3.46Å; F73-V89 HydrophobicContact CD1-CG2 3.95Å; F73-V89 HydrophobicContact CE1-CG2 3.77Å; F73-I97 HydrophobicContact CE1-CD1 4.48Å; F73-I97 HydrophobicContact CZ-CD1 4.45Å; F73-F103 HydrophobicContact CE2-CB 3.88Å; F73-F103 HydrophobicContact CE2-CD1 4.01Å; F73-F103 AromaticContact CE2-CD2 3.65Å; F73-F103 HydrophobicContact CE2-CD2 3.65Å; F73-F103 HydrophobicContact CE2-CE1 4.45Å; F73-F103 HydrophobicContact CE2-CE2 4.13Å; F73-F103 AromaticContact CE2-CG 3.58Å; F73-F103 HydrophobicContact CE2-CG 3.58Å; F73-F103 AromaticContact CZ-CD2 3.69Å; F73-F103 HydrophobicContact CZ-CD2 3.69Å; F73-F103 AromaticContact CZ-CE2 3.97Å; F73-F103 HydrophobicContact CZ-CE2 3.97Å; F73-F103 HydrophobicContact CZ-CG 4.12Å; F73-L105 HydrophobicContact CD2-CD2 3.58Å; F73-L105 HydrophobicContact CE2-CD2 4.09Å; F73-L105 HydrophobicContact CG-CD2 4.27Å; F73-V126 HydrophobicContact CE1-CG1 4.34Å; F73-V126 HydrophobicContact CE2-CG2 4.46Å; F73-V126 HydrophobicContact CZ-CB 4.29Å; F73-V126 HydrophobicContact CZ-CG1 3.97Å; F73-V126 HydrophobicContact CZ-CG2 4.31Å
74	Y	91.3	Very high	85.4	Confident	94 Å²	94	69.7 Å²	69.7	37%	0.369	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	159.8	163.4	64.4	-82.7	0	0	0	109.7	E76 R88 V89 D90	Y74-E76 HydrophobicContact CE2-CB 4.28Å; Y74-R88 HydrophobicContact CD1-CB 4.35Å; Y74-R88 HydrophobicContact CD2-CB 4.38Å; Y74-R88 HydrophobicContact CE1-CB 3.78Å; Y74-R88 HydrophobicContact CE2-CB 3.83Å; Y74-R88 VanDerWaalsContact CZ-CB 3.49Å; Y74-R88 PolarHBondContact N-O 3.07Å; Y74-R88 PolarHBondContact O-N 3.42Å; Y74-V89 WeakPolarHBondContact CE1-O 3.37Å; Y74-D90 HydrophobicContact CD1-CB 4.28Å
75	V	93.1	Very high	85.5	Confident	25 Å²	25	64.8 Å²	64.8	15%	0.152	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.5	171.8	179.2	0	0	0	0	109.2	F63 I65 A85 E86 L87 I107	F63-V75 HydrophobicContact CB-CB 3.74Å; F63-V75 HydrophobicContact CB-CG1 3.43Å; F63-V75 VanDerWaalsContact CB-CG1 3.43Å; F63-V75 HydrophobicContact CB-CG2 4.35Å; F63-V75 HydrophobicContact CD2-CG1 4.06Å; F63-V75 HydrophobicContact CG-CG1 3.77Å; I65-V75 HydrophobicContact CD1-CG2 3.96Å; I65-V75 HydrophobicContact CG1-CG2 3.77Å; V75-A85 HydrophobicContact CG1-CB 3.55Å; V75-E86 CarbonylContact C-O 3.55Å; V75-E86 WeakPolarHBondContact CA-O 3.06Å; V75-L87 HydrophobicContact CG2-CD1 3.81Å; V75-I107 HydrophobicContact CG2-CG2 4.16Å
76	E	92	Very high	85.6	Confident	68 Å²	68	65.5 Å²	65.5	32%	0.318	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.1	173.5	-168.6	167.5	135.5	0	0	109.4	Y74 L78 A85 E86 R88	Y74-E76 HydrophobicContact CE2-CB 4.28Å; E76-L78 PolarHBondContact O-N 3.15Å; E76-A85 CarbonylContact O-C 3.5Å; E76-A85 VanDerWaalsContact O-CA 3.24Å; E76-A85 WeakPolarHBondContact O-CA 3.14Å; E76-A85 WeakPolarHBondContact O-CB 3.44Å; E76-E86 PolarHBondContact N-O 3.2Å; E76-E86 PolarHBondContact O-N 3.24Å; E76-R88 IonicContact OE1-CZ 3.52Å; E76-R88 IonicContact OE1-NH1 3.36Å; E76-R88 PolarHBondContact OE1-NH1 3.49Å; E76-R88 IonicContact OE1-NH2 3.96Å; E76-R88 VanDerWaalsContact OE2-CD 3.31Å; E76-R88 WeakPolarHBondContact OE2-CD 3.09Å; E76-R88 IonicContact OE2-CZ 3.84Å; E76-R88 IonicContact OE2-NE 3.98Å; E76-R88 IonicContact OE2-NH1 3.58Å; E76-R88 PolarHBondContact OE2-NH1 3.05Å
77	L	92.3	Very high	85.7	Confident	56 Å²	56	63.9 Å²	63.9	29%	0.293	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	115.6	172.4	176.3	69.5	0	0	0	108.2	V60 F63 Q80	V60-L77 WeakPolarHBondContact O-CD2 3.45Å; F63-L77 HydrophobicContact CD2-CD1 4.17Å; F63-L77 HydrophobicContact CE2-CD1 3.68Å; L77-Q80 HydrophobicContact CD2-CB 4.09Å
78	L	89.1	Confident	86.3	Confident	88 Å²	88	63.9 Å²	63.9	46%	0.461	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-42.3	178	-62.4	-178.4	0	0	0	111.6	E76 F84 E86	E76-L78 PolarHBondContact O-N 3.15Å; L78-F84 PolarHBondContact N-O 3.25Å; L78-E86 HydrophobicContact CD1-CB 4.37Å; L78-E86 HydrophobicContact CD1-CG 3.83Å; L78-E86 HydrophobicContact CD2-CB 4.44Å; L78-E86 HydrophobicContact CG-CB 4.38Å; L78-E86 HydrophobicContact CG-CG 4.37Å
79	D	85.6	Confident	87.3	Confident	55 Å²	55	58 Å²	58	29%	0.294	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	110.4	-175.5	-165.2	-54.6	0	0	0	110.5	K81 Y82 G83 F84	D79-K81 VanDerWaalsContact C-N 3.31Å; D79-K81 PolarHBondContact O-N 2.84Å; D79-K81 WeakPolarHBondContact OD1-CA 3.3Å; D79-K81 WeakPolarHBondContact OD1-CB 3.46Å; D79-K81 PolarHBondContact OD1-N 2.89Å; D79-Y82 PolarHBondContact OD1-N 2.86Å; D79-Y82 WeakPolarHBondContact OD2-CD2 3.26Å; D79-G83 CarbonylContact O-C 3.48Å; D79-G83 WeakPolarHBondContact O-CA 3.28Å; D79-G83 PolarHBondContact O-N 2.83Å; D79-F84 HydrophobicContact CB-CB 4.26Å; D79-F84 HydrophobicContact CB-CD2 4.39Å; D79-F84 PolarHBondContact N-O 2.95Å; D79-F84 PolarHBondContact O-N 2.85Å
80	Q	85.9	Confident	88.2	Confident	92 Å²	92	52.5 Å²	52.5	43%	0.43	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.5	178.8	174.8	167.9	13	0	0	113.2	Y59 V60 L77 C112	Y59-Q80 WeakPolarHBondContact CB-O 3.48Å; Y59-Q80 HydrophobicContact CG-CG 4.31Å; V60-Q80 PolarHBondContact N-O 3.35Å; V60-Q80 VanDerWaalsContact N-O 3.14Å; L77-Q80 HydrophobicContact CD2-CB 4.09Å; Q80-C112 PolarHBondContact NE2-SG 3.29Å
81	K	81	Confident	88.8	Confident	132 Å²	132	52.2 Å²	52.2	57%	0.574	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-43.4	-176.1	-179.8	-177.3	178	-173.9	0	111.9	Y59 D79	Y59-K81 HydrophobicContact CE1-CG 4.22Å; D79-K81 VanDerWaalsContact C-N 3.31Å; D79-K81 PolarHBondContact O-N 2.84Å; D79-K81 WeakPolarHBondContact OD1-CA 3.3Å; D79-K81 WeakPolarHBondContact OD1-CB 3.46Å; D79-K81 PolarHBondContact OD1-N 2.89Å
82	Y	83	Confident	88.8	Confident	128 Å²	128	59.7 Å²	59.7	50%	0.502	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-5.5	178.8	-61.3	-73.4	0	0	0	113.4	Q49 D79 F84	Q49-Y82 WeakPolarHBondContact CG-O 3.34Å; Q49-Y82 PolarHBondContact NE2-O 3.14Å; D79-Y82 PolarHBondContact OD1-N 2.86Å; D79-Y82 WeakPolarHBondContact OD2-CD2 3.26Å; Y82-F84 HydrophobicContact CG-CE2 4.34Å
83	G	88.3	Confident	88.6	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	72	25	174.9	0	0	0	0	0	114.9	Q49 A50 F63 D79	Q49-G83 WeakPolarHBondContact CA-O 3.45Å; A50-G83 PolarHBondContact N-O 2.84Å; A50-G83 VanDerWaalsContact N-O 3.13Å; A50-G83 WeakPolarHBondContact O-CA 3.37Å; F63-G83 WeakPolarHBondContact CZ-O 3.34Å; D79-G83 CarbonylContact O-C 3.48Å; D79-G83 WeakPolarHBondContact O-CA 3.28Å; D79-G83 PolarHBondContact O-N 2.83Å
84	F	90.9	Very high	88.1	Confident	70 Å²	70	64 Å²	64	31%	0.307	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	140.7	-180	-71	-63.1	0	0	0	112.5	Q49 L78 D79 Y82	Q49-F84 HydrophobicContact CB-CD1 3.87Å; Q49-F84 HydrophobicContact CB-CE1 3.92Å; Q49-F84 HydrophobicContact CG-CD1 3.87Å; Q49-F84 HydrophobicContact CG-CE1 3.76Å; Q49-F84 HydrophobicContact CG-CZ 4.4Å; L78-F84 PolarHBondContact N-O 3.25Å; D79-F84 HydrophobicContact CB-CB 4.26Å; D79-F84 HydrophobicContact CB-CD2 4.39Å; D79-F84 PolarHBondContact N-O 2.95Å; D79-F84 PolarHBondContact O-N 2.85Å; Y82-F84 HydrophobicContact CG-CE2 4.34Å
85	A	92.8	Very high	87.5	Confident	8 Å²	8	64.1 Å²	64.1	7%	0.066	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	160.1	177.8	0	0	0	0	0	114.1	I48 F63 V75 E76	I48-A85 HydrophobicContact CB-CB 4.3Å; I48-A85 HydrophobicContact CG2-CB 4.02Å; I48-A85 PolarHBondContact O-N 2.86Å; F63-A85 HydrophobicContact CD2-CB 3.59Å; F63-A85 HydrophobicContact CE1-CB 4.48Å; F63-A85 HydrophobicContact CE2-CB 3.45Å; F63-A85 VanDerWaalsContact CE2-CB 3.45Å; F63-A85 HydrophobicContact CG-CB 4.2Å; F63-A85 HydrophobicContact CZ-CB 3.93Å; V75-A85 HydrophobicContact CG1-CB 3.55Å; E76-A85 CarbonylContact O-C 3.5Å; E76-A85 VanDerWaalsContact O-CA 3.24Å; E76-A85 WeakPolarHBondContact O-CA 3.14Å; E76-A85 WeakPolarHBondContact O-CB 3.44Å
86	E	91.8	Very high	86.8	Confident	52 Å²	52	67.4 Å²	67.4	24%	0.243	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.9	175.5	-98	174.7	-157.5	0	0	111	V41 V75 E76 L78 R88	V41-E86 HydrophobicContact CG1-CG 4.22Å; V75-E86 CarbonylContact C-O 3.55Å; V75-E86 WeakPolarHBondContact CA-O 3.06Å; E76-E86 PolarHBondContact N-O 3.2Å; E76-E86 PolarHBondContact O-N 3.24Å; L78-E86 HydrophobicContact CD1-CB 4.37Å; L78-E86 HydrophobicContact CD1-CG 3.83Å; L78-E86 HydrophobicContact CD2-CB 4.44Å; L78-E86 HydrophobicContact CG-CB 4.38Å; L78-E86 HydrophobicContact CG-CG 4.37Å; E86-R88 HydrophobicContact CB-CG 4.37Å; E86-R88 IonicContact OE2-CZ 2.89Å; E86-R88 VanDerWaalsContact OE2-CZ 3.23Å; E86-R88 IonicContact OE2-NE 2.68Å; E86-R88 PolarHBondContact OE2-NE 2.72Å; E86-R88 IonicContact OE2-NH2 3.64Å; E86-R88 PolarHBondContact OE2-NH2 2.93Å
87	L	93.5	Very high	86.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123	169.3	-176.4	71.7	0	0	0	108.6	V42 V44 I48 I65 F73 V75 L105 I124 V126	V42-L87 HydrophobicContact CB-CB 4.12Å; V42-L87 HydrophobicContact CB-CD2 4.03Å; V42-L87 HydrophobicContact CB-CG 4.19Å; V42-L87 WeakPolarHBondContact CB-O 3.27Å; V42-L87 HydrophobicContact CG1-CD2 4.13Å; V42-L87 HydrophobicContact CG2-CB 4.42Å; V42-L87 HydrophobicContact CG2-CD2 3.97Å; V42-L87 HydrophobicContact CG2-CG 4.01Å; V42-L87 PolarHBondContact N-O 3.14Å; V44-L87 HydrophobicContact CG2-CB 3.95Å; V44-L87 HydrophobicContact CG2-CD2 4.38Å; I48-L87 HydrophobicContact CD1-CB 4.11Å; I65-L87 HydrophobicContact CD1-CD1 3.68Å; F73-L87 HydrophobicContact CB-CD1 3.7Å; F73-L87 HydrophobicContact CB-CG 4.2Å; F73-L87 HydrophobicContact CD1-CD2 4.44Å; F73-L87 HydrophobicContact CD1-CG 4.27Å; F73-L87 HydrophobicContact CG-CD1 4.33Å; F73-L87 HydrophobicContact CG-CG 4.39Å; V75-L87 HydrophobicContact CG2-CD1 3.81Å; L87-L105 HydrophobicContact CD1-CD1 4.46Å; L87-L105 HydrophobicContact CD2-CD2 4.48Å; L87-I124 HydrophobicContact CD2-CD1 4.25Å; L87-I124 HydrophobicContact CD2-CG2 4.26Å; L87-V126 HydrophobicContact CD2-CG2 3.76Å
88	R	91.1	Very high	85.9	Confident	47 Å²	47	66.1 Å²	66.1	18%	0.177	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	153.1	-174.8	-69	-174.3	172.4	-175	-0.2	111.8	T40 V41 F73 Y74 E76 E86	T40-R88 CarbonylContact O-C 3.52Å; T40-R88 WeakPolarHBondContact O-CA 3.41Å; V41-R88 HydrophobicContact CG1-CG 4.5Å; V41-R88 HydrophobicContact CG2-CG 4.29Å; F73-R88 CarbonylContact C-O 3.29Å; F73-R88 WeakPolarHBondContact CA-O 3.46Å; Y74-R88 HydrophobicContact CD1-CB 4.35Å; Y74-R88 HydrophobicContact CD2-CB 4.38Å; Y74-R88 HydrophobicContact CE1-CB 3.78Å; Y74-R88 HydrophobicContact CE2-CB 3.83Å; Y74-R88 VanDerWaalsContact CZ-CB 3.49Å; Y74-R88 PolarHBondContact N-O 3.07Å; Y74-R88 PolarHBondContact O-N 3.42Å; E76-R88 IonicContact OE1-CZ 3.52Å; E76-R88 IonicContact OE1-NH1 3.36Å; E76-R88 PolarHBondContact OE1-NH1 3.49Å; E76-R88 IonicContact OE1-NH2 3.96Å; E76-R88 VanDerWaalsContact OE2-CD 3.31Å; E76-R88 WeakPolarHBondContact OE2-CD 3.09Å; E76-R88 IonicContact OE2-CZ 3.84Å; E76-R88 IonicContact OE2-NE 3.98Å; E76-R88 IonicContact OE2-NH1 3.58Å; E76-R88 PolarHBondContact OE2-NH1 3.05Å; E86-R88 HydrophobicContact CB-CG 4.37Å; E86-R88 IonicContact OE2-CZ 2.89Å; E86-R88 VanDerWaalsContact OE2-CZ 3.23Å; E86-R88 IonicContact OE2-NE 2.68Å; E86-R88 PolarHBondContact OE2-NE 2.72Å; E86-R88 IonicContact OE2-NH2 3.64Å; E86-R88 PolarHBondContact OE2-NH2 2.93Å
89	V	89.8	Confident	85.3	Confident	5 Å²	5	67.9 Å²	67.9	3%	0.03	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.8	177	179.3	0	0	0	0	109.4	L35 T40 P72 F73 Y74 P91 I97	L35-V89 HydrophobicContact CD1-CG2 3.74Å; L35-V89 HydrophobicContact CD2-CG2 3.94Å; T40-V89 PolarHBondContact O-N 2.96Å; P72-V89 CarbonylContact O-C 3.59Å; P72-V89 WeakPolarHBondContact O-CA 2.96Å; F73-V89 HydrophobicContact CD1-CG2 3.95Å; F73-V89 HydrophobicContact CE1-CG2 3.77Å; Y74-V89 WeakPolarHBondContact CE1-O 3.37Å; V89-P91 VanDerWaalsContact O-CD 3.28Å; V89-P91 WeakPolarHBondContact O-CD 3.34Å; V89-I97 HydrophobicContact CG1-CD1 3.67Å; V89-I97 HydrophobicContact CG2-CD1 3.94Å
90	D	87.7	Confident	84.6	Confident	47 Å²	47	71.4 Å²	71.4	25%	0.251	37%	0.366	S	S	.	.			trans	-64.6	118	168	-177.5	-16.5	0	0	0	108.6	P72 Y74 K92 L93 S94	P72-D90 PolarHBondContact O-N 2.85Å; Y74-D90 HydrophobicContact CD1-CB 4.28Å; D90-K92 PolarHBondContact O-N 2.73Å; D90-K92 VanDerWaalsContact OD1-CB 3.31Å; D90-K92 WeakPolarHBondContact OD1-CB 3.1Å; D90-K92 WeakPolarHBondContact OD1-CG 3.5Å; D90-K92 PolarHBondContact OD1-N 2.74Å; D90-L93 HydrophobicContact CB-CB 4.3Å; D90-L93 HydrophobicContact CB-CD1 4.3Å; D90-L93 HydrophobicContact CB-CG 4.39Å; D90-L93 PolarHBondContact O-N 3.29Å; D90-S94 PolarHBondContact O-N 2.82Å
91	P	83.9	Confident	84.4	Confident	89 Å²	89	68 Å²	68	58%	0.578	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-29.7	178.8	-27.3	36.2	0	0	0	113.6	V89 S94	V89-P91 VanDerWaalsContact O-CD 3.28Å; V89-P91 WeakPolarHBondContact O-CD 3.34Å; P91-S94 PolarHBondContact O-OG 2.88Å
92	K	82.4	Confident	84.3	Confident	181 Å²	181	66.5 Å²	66.5	79%	0.787	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-23.7	179.3	-60.2	170.1	-176.5	167.3	0	113.7	D90	D90-K92 PolarHBondContact O-N 2.73Å; D90-K92 VanDerWaalsContact OD1-CB 3.31Å; D90-K92 WeakPolarHBondContact OD1-CB 3.1Å; D90-K92 WeakPolarHBondContact OD1-CG 3.5Å; D90-K92 PolarHBondContact OD1-N 2.74Å
93	L	83.5	Confident	84.5	Confident	48 Å²	48	62.6 Å²	62.6	25%	0.251	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-4.9	-178.1	-62.5	174.3	0	0	0	112.7	P72 D90 S95 N96	P72-L93 HydrophobicContact CB-CB 3.77Å; D90-L93 HydrophobicContact CB-CB 4.3Å; D90-L93 HydrophobicContact CB-CD1 4.3Å; D90-L93 HydrophobicContact CB-CG 4.39Å; D90-L93 PolarHBondContact O-N 3.29Å; L93-S95 PolarHBondContact O-N 2.8Å; L93-S95 VanDerWaalsContact O-N 3.12Å; L93-N96 WeakPolarHBondContact O-CB 3.07Å; L93-N96 PolarHBondContact O-N 3.46Å
94	S	80.4	Confident	84.6	Confident	60 Å²	60	66.9 Å²	66.9	42%	0.42	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-49.1	-35.8	177.6	62.6	0	0	0	0	114.1	D90 P91 N96 I97	D90-S94 PolarHBondContact O-N 2.82Å; P91-S94 PolarHBondContact O-OG 2.88Å; S94-N96 PolarHBondContact O-N 3.08Å; S94-N96 VanDerWaalsContact O-N 3.14Å; S94-I97 WeakPolarHBondContact O-CB 3.08Å; S94-I97 PolarHBondContact O-N 3.19Å; S94-I97 VanDerWaalsContact O-N 3.11Å
95	S	79.1	Confident	84.6	Confident	96 Å²	96	63.7 Å²	63.7	67%	0.671	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-62.3	-18.7	178.1	57.5	0	0	0	0	114.9	L93 I97	L93-S95 PolarHBondContact O-N 2.8Å; L93-S95 VanDerWaalsContact O-N 3.12Å; S95-I97 VanDerWaalsContact C-N 3.32Å
96	N	78.9	Confident	84.6	Confident	93 Å²	93	67.1 Å²	67.1	50%	0.497	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-83.1	-12.3	179.3	-62.2	-5.9	0	0	0	112.2	L93 S94 T98	L93-N96 WeakPolarHBondContact O-CB 3.07Å; L93-N96 PolarHBondContact O-N 3.46Å; S94-N96 PolarHBondContact O-N 3.08Å; S94-N96 VanDerWaalsContact O-N 3.14Å; N96-T98 PolarHBondContact O-N 2.85Å
97	I	83.7	Confident	84.7	Confident	24 Å²	24	64.6 Å²	64.6	12%	0.123	36%	0.36	C	S	.	.			trans	-83.4	109.3	-178	-55.6	-174.7	0	0	0	109	L35 P72 F73 V89 S94 S95 F103 V128	L35-I97 HydrophobicContact CD2-CD1 3.73Å; L35-I97 HydrophobicContact CD2-CG2 4Å; P72-I97 HydrophobicContact CB-CD1 4.17Å; P72-I97 HydrophobicContact CB-CG1 4.21Å; P72-I97 HydrophobicContact CG-CD1 4.04Å; P72-I97 HydrophobicContact CG-CG1 4.03Å; F73-I97 HydrophobicContact CE1-CD1 4.48Å; F73-I97 HydrophobicContact CZ-CD1 4.45Å; V89-I97 HydrophobicContact CG1-CD1 3.67Å; V89-I97 HydrophobicContact CG2-CD1 3.94Å; S94-I97 WeakPolarHBondContact O-CB 3.08Å; S94-I97 PolarHBondContact O-N 3.19Å; S94-I97 VanDerWaalsContact O-N 3.11Å; S95-I97 VanDerWaalsContact C-N 3.32Å; I97-F103 HydrophobicContact CG1-CE2 4.48Å; I97-F103 HydrophobicContact CG1-CZ 4.17Å; I97-F103 HydrophobicContact CG2-CE2 4.33Å; I97-V128 HydrophobicContact CG2-CG1 4.33Å; I97-V128 HydrophobicContact CG2-CG2 3.91Å
98	T	82.4	Confident	84.6	Confident	73 Å²	73	66.1 Å²	66.1	45%	0.448	37%	0.367	S	S	.	.			trans	-103.6	160.4	178.3	61.7	0	0	0	0	111.4	N96 T100 S101	N96-T98 PolarHBondContact O-N 2.85Å; T98-T100 PolarHBondContact O-N 2.9Å; T98-S101 PolarHBondContact N-OG 2.9Å; T98-S101 WeakPolarHBondContact O-CB 3.28Å; T98-S101 PolarHBondContact O-N 3.41Å; T98-S101 PolarHBondContact O-OG 3.01Å
99	K	75.1	Confident	84.7	Confident	125 Å²	125	64 Å²	64	54%	0.543	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-21.9	178.4	-65.5	172.7	174	-120.3	0	114.6	I37 D130	I37-K99 HydrophobicContact CD1-CD 4.44Å; I37-K99 HydrophobicContact CD1-CG 3.5Å; K99-D130 HydrophobicContact CB-CB 4.44Å; K99-D130 VanDerWaalsContact CD-OD2 3.26Å; K99-D130 WeakPolarHBondContact CD-OD2 3.04Å; K99-D130 WeakPolarHBondContact CE-OD1 3.42Å; K99-D130 WeakPolarHBondContact CE-OD2 3.38Å; K99-D130 HydrophobicContact CG-CB 4.18Å; K99-D130 IonicContact NZ-OD1 3.95Å; K99-D130 PolarHBondContact NZ-OD1 3.14Å; K99-D130 IonicContact NZ-OD2 2.8Å; K99-D130 PolarHBondContact NZ-OD2 2.97Å
100	T	72.6	Confident	84.7	Confident	129 Å²	129	64.5 Å²	64.5	79%	0.791	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	6.4	179.6	53.9	0	0	0	0	113.3	T98	T98-T100 PolarHBondContact O-N 2.9Å
101	S	80	Confident	84.6	Confident	21 Å²	21	62.6 Å²	62.6	15%	0.147	35%	0.353	C	S	.	.			trans	-74.1	138.6	178	59.9	0	0	0	0	111.3	T98 F103 V128	T98-S101 PolarHBondContact N-OG 2.9Å; T98-S101 WeakPolarHBondContact O-CB 3.28Å; T98-S101 PolarHBondContact O-N 3.41Å; T98-S101 PolarHBondContact O-OG 3.01Å; S101-F103 WeakPolarHBondContact OG-CE2 3.22Å; S101-V128 WeakPolarHBondContact O-CG2 3.37Å; S101-V128 WeakPolarHBondContact OG-CG2 3.35Å
102	S	80	Confident	84.5	Confident	101 Å²	101	60.6 Å²	60.6	71%	0.706	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.3	169.8	60.1	0	0	0	0	107.5
103	F	87.7	Confident	84.3	Confident	45 Å²	45	55 Å²	55	20%	0.197	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136.7	-174.2	-54.6	-88.8	0	0	0	110	P72 F73 I97 S101 R125 V126 V128	P72-F103 HydrophobicContact CG-CE1 3.92Å; P72-F103 HydrophobicContact CG-CZ 4.02Å; F73-F103 HydrophobicContact CE2-CB 3.88Å; F73-F103 HydrophobicContact CE2-CD1 4.01Å; F73-F103 AromaticContact CE2-CD2 3.65Å; F73-F103 HydrophobicContact CE2-CD2 3.65Å; F73-F103 HydrophobicContact CE2-CE1 4.45Å; F73-F103 HydrophobicContact CE2-CE2 4.13Å; F73-F103 AromaticContact CE2-CG 3.58Å; F73-F103 HydrophobicContact CE2-CG 3.58Å; F73-F103 AromaticContact CZ-CD2 3.69Å; F73-F103 HydrophobicContact CZ-CD2 3.69Å; F73-F103 AromaticContact CZ-CE2 3.97Å; F73-F103 HydrophobicContact CZ-CE2 3.97Å; F73-F103 HydrophobicContact CZ-CG 4.12Å; I97-F103 HydrophobicContact CG1-CE2 4.48Å; I97-F103 HydrophobicContact CG1-CZ 4.17Å; I97-F103 HydrophobicContact CG2-CE2 4.33Å; S101-F103 WeakPolarHBondContact OG-CE2 3.22Å; F103-R125 CarbonylContact O-C 3.38Å; F103-R125 WeakPolarHBondContact O-CA 3.36Å; F103-V126 HydrophobicContact CB-CB 4.22Å; F103-V126 HydrophobicContact CD2-CB 4.41Å; F103-V126 PolarHBondContact N-O 2.8Å; F103-V126 VanDerWaalsContact N-O 3.14Å; F103-V126 PolarHBondContact O-N 3.27Å; F103-V128 HydrophobicContact CE2-CG2 4.2Å
104	V	88.5	Confident	83.5	Confident	90 Å²	90	61.8 Å²	61.8	55%	0.545	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.8	168.7	-171.4	0	0	0	0	106.7	I124 R125	V104-I124 WeakPolarHBondContact CA-O 3.43Å; V104-R125 HydrophobicContact CG1-CG 4.48Å; V104-R125 HydrophobicContact CG2-CG 4.28Å
105	L	91.2	Very high	82.9	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.021	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	153.6	-177.9	59.1	96.8	0	0	0	108.9	I65 F73 L87 I107 P123 I124 V126	I65-L105 HydrophobicContact CG1-CD1 4.4Å; I65-L105 HydrophobicContact CG2-CB 4.06Å; I65-L105 HydrophobicContact CG2-CD1 3.98Å; I65-L105 HydrophobicContact CG2-CG 4.49Å; F73-L105 HydrophobicContact CD2-CD2 3.58Å; F73-L105 HydrophobicContact CE2-CD2 4.09Å; F73-L105 HydrophobicContact CG-CD2 4.27Å; L87-L105 HydrophobicContact CD1-CD1 4.46Å; L87-L105 HydrophobicContact CD2-CD2 4.48Å; L105-I107 HydrophobicContact CD1-CG2 4.03Å; L105-P123 CarbonylContact O-C 3.56Å; L105-P123 WeakPolarHBondContact O-CA 3.47Å; L105-I124 HydrophobicContact CD1-CB 3.83Å; L105-I124 HydrophobicContact CD1-CD1 3.92Å; L105-I124 HydrophobicContact CD1-CG1 3.83Å; L105-I124 HydrophobicContact CG-CB 4.15Å; L105-I124 PolarHBondContact N-O 2.83Å; L105-I124 VanDerWaalsContact N-O 3.08Å; L105-I124 PolarHBondContact O-N 2.93Å; L105-V126 HydrophobicContact CD2-CG2 4.24Å
106	E	92.7	Very high	82.3	Confident	79 Å²	79	65.2 Å²	65.2	37%	0.369	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	145	175.9	-65.7	177.5	164.6	0	0	109.5	I65 H66 R121 V122	I65-E106 CarbonylContact C-O 3.5Å; I65-E106 WeakPolarHBondContact CA-O 3.12Å; H66-E106 HydrophobicContact CB-CB 4.25Å; H66-E106 PolarHBondContact N-O 3.1Å; H66-E106 PolarHBondContact O-N 3.09Å; E106-R121 HydrophobicContact CB-CB 4.32Å; E106-R121 WeakPolarHBondContact OE2-CD 3.33Å; E106-R121 IonicContact OE2-CZ 3.64Å; E106-R121 IonicContact OE2-NE 3.97Å; E106-R121 IonicContact OE2-NH1 2.69Å; E106-R121 PolarHBondContact OE2-NH1 3.24Å; E106-R121 VanDerWaalsContact OE2-NH1 3.15Å; E106-V122 CarbonylContact C-O 3.6Å; E106-V122 WeakPolarHBondContact CA-O 3.38Å
107	I	94.3	Very high	82.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.7	169.5	56.4	160.6	0	0	0	112	F21 Y31 I48 K64 I65 V75 L105 R121 V122 I124	F21-I107 HydrophobicContact CD1-CD1 4.36Å; F21-I107 HydrophobicContact CE1-CD1 3.43Å; F21-I107 VanDerWaalsContact CE1-CD1 3.43Å; F21-I107 HydrophobicContact CE1-CG1 4.1Å; F21-I107 HydrophobicContact CE2-CG1 4.37Å; F21-I107 HydrophobicContact CZ-CB 4.24Å; F21-I107 HydrophobicContact CZ-CD1 3.56Å; F21-I107 HydrophobicContact CZ-CG1 3.69Å; Y31-I107 HydrophobicContact CD2-CD1 3.95Å; Y31-I107 HydrophobicContact CD2-CG1 4.42Å; Y31-I107 HydrophobicContact CE2-CD1 3.77Å; Y31-I107 HydrophobicContact CE2-CG1 4.47Å; I48-I107 HydrophobicContact CD1-CD1 4.29Å; I48-I107 HydrophobicContact CG1-CD1 4.35Å; I48-I107 HydrophobicContact CG2-CD1 3.72Å; K64-I107 WeakPolarHBondContact O-CA 3.39Å; I65-I107 HydrophobicContact CG1-CG2 4.06Å; V75-I107 HydrophobicContact CG2-CG2 4.16Å; L105-I107 HydrophobicContact CD1-CG2 4.03Å; I107-R121 WeakPolarHBondContact O-CA 3.4Å; I107-V122 HydrophobicContact CG1-CB 4.45Å; I107-V122 PolarHBondContact N-O 2.82Å; I107-V122 PolarHBondContact O-N 3.28Å; I107-I124 HydrophobicContact CB-CD1 4.47Å; I107-I124 HydrophobicContact CD1-CD1 3.85Å; I107-I124 HydrophobicContact CD1-CG1 4.32Å; I107-I124 HydrophobicContact CG1-CD1 3.97Å; I107-I124 HydrophobicContact CG1-CG1 4.01Å; I107-I124 HydrophobicContact CG2-CD1 3.69Å; I107-I124 HydrophobicContact CG2-CG1 4.14Å
108	E	92.7	Very high	82.5	Confident	32 Å²	32	65.5 Å²	65.5	15%	0.15	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	131.5	176.4	179.2	178.2	-159.5	0	0	107.5	F63 K64 H66 T118 R121	F63-E108 CarbonylContact C-O 3.56Å; F63-E108 WeakPolarHBondContact CA-O 3.46Å; K64-E108 PolarHBondContact N-O 3.18Å; K64-E108 PolarHBondContact O-N 2.99Å; H66-E108 IonicContact CD2-OE2 2.84Å; H66-E108 IonicContact CE1-OE2 3.89Å; H66-E108 PolarHBondContact CE1-OE2 3.06Å; H66-E108 IonicContact NE2-OE2 2.79Å; H66-E108 PolarHBondContact NE2-OE2 3.13Å; E108-T118 HydrophobicContact CG-CG2 4.26Å; E108-T118 WeakPolarHBondContact OE1-CB 3.41Å; E108-T118 WeakPolarHBondContact OE1-CG2 3.38Å; E108-T118 PolarHBondContact OE1-OG1 2.03Å; E108-R121 HydrophobicContact CB-CG 4.38Å
109	A	91.6	Very high	82.7	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.008	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	151.4	171.8	0	0	0	0	0	110.2	I19 F21 A50 V60 R62 F63 T118 T119	I19-A109 HydrophobicContact CD1-CB 4.28Å; F21-A109 HydrophobicContact CE1-CB 4.35Å; F21-A109 HydrophobicContact CZ-CB 4.15Å; A50-A109 HydrophobicContact CB-CB 3.7Å; V60-A109 HydrophobicContact CG1-CB 4.28Å; R62-A109 CarbonylContact O-C 3.57Å; R62-A109 WeakPolarHBondContact O-CA 3.06Å; F63-A109 HydrophobicContact CD1-CB 3.64Å; F63-A109 HydrophobicContact CE1-CB 3.41Å; F63-A109 VanDerWaalsContact CE1-CB 3.41Å; F63-A109 HydrophobicContact CZ-CB 4.12Å; A109-T118 CarbonylContact O-C 3.18Å; A109-T118 WeakPolarHBondContact O-CA 3.43Å; A109-T118 WeakPolarHBondContact O-CB 3.5Å; A109-T119 HydrophobicContact CB-CG2 3.69Å; A109-T119 PolarHBondContact N-OG1 3.11Å; A109-T119 PolarHBondContact O-N 3.33Å
110	S	90	Very high	83.3	Confident	16 Å²	16	59.6 Å²	59.6	11%	0.112	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.7	170.6	83.7	0	0	0	0	111.7	C61 R62 R117	C61-S110 PolarHBondContact N-O 2.97Å; R62-S110 PolarHBondContact N-O 2.93Å; R62-S110 PolarHBondContact O-N 3.41Å; S110-R117 VanDerWaalsContact CA-O 3.3Å; S110-R117 WeakPolarHBondContact CA-O 3.33Å
111	D	86.9	Confident	84.2	Confident	7 Å²	7	59.6 Å²	59.6	4%	0.037	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	178.6	168	63.6	22.4	0	0	0	112.5	I19 Y59 D113 S116 R117	I19-D111 HydrophobicContact CD1-CB 4.5Å; Y59-D111 CarbonylContact O-C 3.5Å; Y59-D111 VanDerWaalsContact O-CA 3.31Å; Y59-D111 WeakPolarHBondContact O-CA 3.36Å; D111-D113 PolarHBondContact OD1-N 2.82Å; D111-S116 WeakPolarHBondContact OD1-CA 3.44Å; D111-R117 PolarHBondContact N-O 3.1Å; D111-R117 VanDerWaalsContact N-O 3.11Å; D111-R117 PolarHBondContact OD1-N 3.31Å; D111-R117 WeakPolarHBondContact OD2-CB 3.41Å; D111-R117 IonicContact OD2-CZ 3.1Å; D111-R117 IonicContact OD2-NE 3.88Å; D111-R117 PolarHBondContact OD2-NE 2.66Å; D111-R117 IonicContact OD2-NH2 3.73Å; D111-R117 PolarHBondContact OD2-NH2 3.34Å
112	C	81.7	Confident	84.7	Confident	47 Å²	47	58.9 Å²	58.9	32%	0.318	31%	0.31	S	S	.	.	S	Bend	trans	-89.5	3.9	-178.2	-67.6	0	0	0	0	115	Y59 C61 Q80	Y59-C112 PolarHBondContact O-N 3.09Å; Y59-C112 PolarHBondContact O-SG 2.97Å; Y59-C112 VanDerWaalsContact O-SG 3.33Å; C61-C112 VanDerWaalsContact CA-SG 3.57Å; C61-C112 HydrophobicContact CB-CB 3.92Å; C61-C112 WeakPolarHBondContact CB-SG 3.34Å; C61-C112 WeakPolarHBondContact SG-CA 3.46Å; C61-C112 WeakPolarHBondContact SG-CB 3.24Å; C61-C112 CovalentContact SG-SG 2.03Å; C61-C112 PolarHBondContact SG-SG 3.05Å; Q80-C112 PolarHBondContact NE2-SG 3.29Å
113	D	76.7	Confident	85.3	Confident	64 Å²	64	56 Å²	56	34%	0.342	29%	0.29	S	S	.	.	S	Bend	trans	-73.1	155.4	-176	-83.4	12.3	0	0	0	112.2	D111 H115 S116 R117	D111-D113 PolarHBondContact OD1-N 2.82Å; D113-H115 PolarHBondContact O-N 2.84Å; D113-H115 VanDerWaalsContact O-N 3.12Å; D113-S116 WeakPolarHBondContact O-CA 3.43Å; D113-S116 PolarHBondContact O-N 2.87Å; D113-R117 VanDerWaalsContact CG-NH2 3.32Å; D113-R117 IonicContact OD1-NH2 3.14Å; D113-R117 IonicContact OD2-CZ 3.03Å; D113-R117 IonicContact OD2-NH1 2.71Å; D113-R117 PolarHBondContact OD2-NH1 3.35Å; D113-R117 IonicContact OD2-NH2 3.16Å; D113-R117 PolarHBondContact OD2-NH2 3.45Å
114	E	68.3	Low	85.6	Confident	191 Å²	191	53.9 Å²	53.9	89%	0.893	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-23	176.4	-167	172.5	-149.1	0	0	112.7
115	H	66.9	Low	85.8	Confident	163 Å²	163	56.8 Å²	56.8	76%	0.755	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	12.7	173.9	-65.7	82.4	0	0	0	113.5	D113 R117	D113-H115 PolarHBondContact O-N 2.84Å; D113-H115 VanDerWaalsContact O-N 3.12Å; H115-R117 PolarHBondContact O-N 3.25Å
116	S	67.2	Low	85.7	Confident	64 Å²	64	56.8 Å²	56.8	45%	0.448	28%	0.281	S	S	.	.			trans	17.4	82.9	177.3	70.8	0	0	0	0	115	D111 D113	D111-S116 WeakPolarHBondContact OD1-CA 3.44Å; D113-S116 WeakPolarHBondContact O-CA 3.43Å; D113-S116 PolarHBondContact O-N 2.87Å
117	R	80.8	Confident	85.5	Confident	75 Å²	75	58.5 Å²	58.5	28%	0.283	29%	0.289	S	S	.	.			trans	-73.2	143.2	177.6	-59.2	170	-67.8	-101.1	-4.7	108.7	S110 D111 D113 H115	S110-R117 VanDerWaalsContact CA-O 3.3Å; S110-R117 WeakPolarHBondContact CA-O 3.33Å; D111-R117 PolarHBondContact N-O 3.1Å; D111-R117 VanDerWaalsContact N-O 3.11Å; D111-R117 PolarHBondContact OD1-N 3.31Å; D111-R117 WeakPolarHBondContact OD2-CB 3.41Å; D111-R117 IonicContact OD2-CZ 3.1Å; D111-R117 IonicContact OD2-NE 3.88Å; D111-R117 PolarHBondContact OD2-NE 2.66Å; D111-R117 IonicContact OD2-NH2 3.73Å; D111-R117 PolarHBondContact OD2-NH2 3.34Å; D113-R117 VanDerWaalsContact CG-NH2 3.32Å; D113-R117 IonicContact OD1-NH2 3.14Å; D113-R117 IonicContact OD2-CZ 3.03Å; D113-R117 IonicContact OD2-NH1 2.71Å; D113-R117 PolarHBondContact OD2-NH1 3.35Å; D113-R117 IonicContact OD2-NH2 3.16Å; D113-R117 PolarHBondContact OD2-NH2 3.45Å; H115-R117 PolarHBondContact O-N 3.25Å
118	T	86.1	Confident	85.2	Confident	49 Å²	49	59.2 Å²	59.2	30%	0.301	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-120.3	153.2	-176.1	65.6	0	0	0	0	113.3	T17 E108 A109	T17-T118 WeakPolarHBondContact CG2-O 3.49Å; E108-T118 HydrophobicContact CG-CG2 4.26Å; E108-T118 WeakPolarHBondContact OE1-CB 3.41Å; E108-T118 WeakPolarHBondContact OE1-CG2 3.38Å; E108-T118 PolarHBondContact OE1-OG1 2.03Å; A109-T118 CarbonylContact O-C 3.18Å; A109-T118 WeakPolarHBondContact O-CA 3.43Å; A109-T118 WeakPolarHBondContact O-CB 3.5Å
119	T	86.7	Confident	84.8	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.031	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-69.6	163.3	173.8	63.1	0	0	0	0	111.1	I19 F21 A109	I19-T119 HydrophobicContact CB-CG2 4.38Å; I19-T119 HydrophobicContact CD1-CG2 4.38Å; I19-T119 HydrophobicContact CG1-CG2 3.92Å; I19-T119 HydrophobicContact CG2-CG2 3.97Å; I19-T119 WeakPolarHBondContact O-CG2 3.44Å; F21-T119 HydrophobicContact CD2-CG2 4.11Å; F21-T119 HydrophobicContact CE2-CG2 4.11Å; F21-T119 WeakPolarHBondContact CE2-OG1 3.41Å; A109-T119 HydrophobicContact CB-CG2 3.69Å; A109-T119 PolarHBondContact N-OG1 3.11Å; A109-T119 PolarHBondContact O-N 3.33Å
120	S	86.8	Confident	84.4	Confident	69 Å²	69	61.8 Å²	61.8	48%	0.483	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-57.1	153.8	154.9	64.8	0	0	0	0	111	F21	F21-S120 WeakPolarHBondContact CE2-O 3.12Å
121	R	90.7	Very high	84	Confident	129 Å²	129	70.8 Å²	70.8	49%	0.487	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-79	134.8	177.7	-67	-168.6	-169.1	168	4.2	111.2	H66 E106 I107 E108	H66-R121 PolarHBondContact CE1-NH2 3.27Å; H66-R121 VanDerWaalsContact CE1-NH2 3.34Å; H66-R121 PolarHBondContact ND1-NH2 2.89Å; E106-R121 HydrophobicContact CB-CB 4.32Å; E106-R121 WeakPolarHBondContact OE2-CD 3.33Å; E106-R121 IonicContact OE2-CZ 3.64Å; E106-R121 IonicContact OE2-NE 3.97Å; E106-R121 IonicContact OE2-NH1 2.69Å; E106-R121 PolarHBondContact OE2-NH1 3.24Å; E106-R121 VanDerWaalsContact OE2-NH1 3.15Å; I107-R121 WeakPolarHBondContact O-CA 3.4Å; E108-R121 HydrophobicContact CB-CG 4.38Å
122	V	91.9	Very high	83.8	Confident	5 Å²	5	77 Å²	77	3%	0.03	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.8	-178.8	173.3	0	0	0	0	110.5	F21 F23 Y31 E106 I107	F21-V122 HydrophobicContact CB-CG2 4.32Å; F21-V122 HydrophobicContact CD2-CB 3.97Å; F21-V122 HydrophobicContact CD2-CG2 3.32Å; F21-V122 HydrophobicContact CE2-CB 4.03Å; F21-V122 HydrophobicContact CE2-CG2 3.8Å; F21-V122 HydrophobicContact CG-CG2 4.03Å; F23-V122 HydrophobicContact CE2-CG1 4.17Å; F23-V122 HydrophobicContact CE2-CG2 4.36Å; F23-V122 HydrophobicContact CZ-CG1 3.75Å; Y31-V122 HydrophobicContact CD2-CG1 3.53Å; Y31-V122 HydrophobicContact CE2-CB 4.41Å; Y31-V122 HydrophobicContact CE2-CG1 3.68Å; E106-V122 CarbonylContact C-O 3.6Å; E106-V122 WeakPolarHBondContact CA-O 3.38Å; I107-V122 HydrophobicContact CG1-CB 4.45Å; I107-V122 PolarHBondContact N-O 2.82Å; I107-V122 PolarHBondContact O-N 3.28Å
123	P	92.9	Very high	84.1	Confident	42 Å²	42	74.9 Å²	74.9	27%	0.273	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	141.2	177.2	27.2	-31.5	0	0	0	112.3	I30 Y31 L105	I30-P123 HydrophobicContact CB-CG 4.28Å; I30-P123 HydrophobicContact CD1-CB 4.45Å; I30-P123 HydrophobicContact CD1-CG 4.11Å; I30-P123 HydrophobicContact CG1-CB 4.39Å; I30-P123 HydrophobicContact CG1-CG 3.96Å; I30-P123 WeakPolarHBondContact CG1-O 3.01Å; Y31-P123 PolarHBondContact N-O 3.38Å; L105-P123 CarbonylContact O-C 3.56Å; L105-P123 WeakPolarHBondContact O-CA 3.47Å
124	I	93.7	Very high	84.7	Confident	0 Å²	0	72 Å²	72	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.2	163	-42.1	-163.2	0	0	0	108.3	Y31 V44 I48 L87 V104 L105 I107 V126	Y31-I124 HydrophobicContact CD2-CG1 4.22Å; Y31-I124 HydrophobicContact CG-CG1 4.46Å; Y31-I124 WeakPolarHBondContact O-CA 3.02Å; V44-I124 HydrophobicContact CG1-CG2 4.48Å; I48-I124 HydrophobicContact CD1-CD1 3.88Å; L87-I124 HydrophobicContact CD2-CD1 4.25Å; L87-I124 HydrophobicContact CD2-CG2 4.26Å; V104-I124 WeakPolarHBondContact CA-O 3.43Å; L105-I124 HydrophobicContact CD1-CB 3.83Å; L105-I124 HydrophobicContact CD1-CD1 3.92Å; L105-I124 HydrophobicContact CD1-CG1 3.83Å; L105-I124 HydrophobicContact CG-CB 4.15Å; L105-I124 PolarHBondContact N-O 2.83Å; L105-I124 VanDerWaalsContact N-O 3.08Å; L105-I124 PolarHBondContact O-N 2.93Å; I107-I124 HydrophobicContact CB-CD1 4.47Å; I107-I124 HydrophobicContact CD1-CD1 3.85Å; I107-I124 HydrophobicContact CD1-CG1 4.32Å; I107-I124 HydrophobicContact CG1-CD1 3.97Å; I107-I124 HydrophobicContact CG1-CG1 4.01Å; I107-I124 HydrophobicContact CG2-CD1 3.69Å; I107-I124 HydrophobicContact CG2-CG1 4.14Å; I124-V126 HydrophobicContact CG2-CG2 4.13Å
125	R	90.9	Very high	85.7	Confident	150 Å²	150	64.9 Å²	64.9	57%	0.566	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.7	168.4	-66.6	-176.9	177.8	173.7	1.1	109.5	I30 Y31 G33 F103 V104	I30-R125 HydrophobicContact CD1-CG 4.15Å; Y31-R125 PolarHBondContact O-N 2.86Å; G33-R125 PolarHBondContact N-O 2.97Å; F103-R125 CarbonylContact O-C 3.38Å; F103-R125 WeakPolarHBondContact O-CA 3.36Å; V104-R125 HydrophobicContact CG1-CG 4.48Å; V104-R125 HydrophobicContact CG2-CG 4.28Å
126	V	90.3	Very high	86.9	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.024	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.4	177.6	-173	0	0	0	0	110.2	G33 L35 V42 F73 L87 F103 L105 I124	G33-V126 CarbonylContact O-C 3.5Å; G33-V126 WeakPolarHBondContact O-CA 3.41Å; L35-V126 HydrophobicContact CB-CG1 3.97Å; V42-V126 HydrophobicContact CG1-CG1 3.82Å; V42-V126 HydrophobicContact CG1-CG2 4.26Å; V42-V126 HydrophobicContact CG2-CG1 4.38Å; F73-V126 HydrophobicContact CE1-CG1 4.34Å; F73-V126 HydrophobicContact CE2-CG2 4.46Å; F73-V126 HydrophobicContact CZ-CB 4.29Å; F73-V126 HydrophobicContact CZ-CG1 3.97Å; F73-V126 HydrophobicContact CZ-CG2 4.31Å; L87-V126 HydrophobicContact CD2-CG2 3.76Å; F103-V126 HydrophobicContact CB-CB 4.22Å; F103-V126 HydrophobicContact CD2-CB 4.41Å; F103-V126 PolarHBondContact N-O 2.8Å; F103-V126 VanDerWaalsContact N-O 3.14Å; F103-V126 PolarHBondContact O-N 3.27Å; L105-V126 HydrophobicContact CD2-CG2 4.24Å; I124-V126 HydrophobicContact CG2-CG2 4.13Å
127	Q	87.9	Confident	87.8	Confident	115 Å²	115	56.3 Å²	56.3	54%	0.537	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.6	173.5	-179.3	174.3	-7.9	0	0	110.1	G33 L35	G33-Q127 PolarHBondContact O-N 2.79Å; L35-Q127 PolarHBondContact N-O 3.26Å
128	V	87.6	Confident	88	Confident	16 Å²	16	57.6 Å²	57.6	10%	0.097	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133.8	175.4	-176.6	0	0	0	0	110.3	L35 I97 S101 F103	L35-V128 HydrophobicContact CD2-CG2 4.39Å; L35-V128 CarbonylContact O-C 3.58Å; L35-V128 VanDerWaalsContact O-CA 3.3Å; L35-V128 WeakPolarHBondContact O-CA 3.41Å; I97-V128 HydrophobicContact CG2-CG1 4.33Å; I97-V128 HydrophobicContact CG2-CG2 3.91Å; S101-V128 WeakPolarHBondContact O-CG2 3.37Å; S101-V128 WeakPolarHBondContact OG-CG2 3.35Å; F103-V128 HydrophobicContact CE2-CG2 4.2Å
129	I	85.9	Confident	88	Confident	15 Å²	15	60.7 Å²	60.7	8%	0.077	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.4	-180	-59.3	168.8	0	0	0	108.9	Y34 L35 W36 I37 R131 V135	Y34-I129 HydrophobicContact CD1-CD1 4.08Å; Y34-I129 HydrophobicContact CG-CD1 4.43Å; L35-I129 PolarHBondContact O-N 2.96Å; W36-I129 WeakPolarHBondContact CA-O 3.31Å; W36-I129 HydrophobicContact CD2-CD1 4.15Å; W36-I129 HydrophobicContact CG-CB 4.32Å; W36-I129 HydrophobicContact CG-CG2 4.48Å; W36-I129 HydrophobicContact CH2-CD1 4.21Å; W36-I129 HydrophobicContact CZ2-CD1 3.8Å; I37-I129 PolarHBondContact N-O 2.82Å; I129-R131 WeakPolarHBondContact CG2-O 3.49Å; I129-V135 HydrophobicContact CD1-CB 4.27Å; I129-V135 HydrophobicContact CD1-CG1 4.37Å; I129-V135 HydrophobicContact CD1-CG2 4.04Å; I129-V135 HydrophobicContact CG2-CG2 4.03Å
130	D	82.3	Confident	88.3	Confident	71 Å²	71	65 Å²	65	38%	0.38	31%	0.311	S	S	.	.			trans	-100.8	34.8	179.1	-174.3	45.5	0	0	0	112.6	K99	K99-D130 HydrophobicContact CB-CB 4.44Å; K99-D130 VanDerWaalsContact CD-OD2 3.26Å; K99-D130 WeakPolarHBondContact CD-OD2 3.04Å; K99-D130 WeakPolarHBondContact CE-OD1 3.42Å; K99-D130 WeakPolarHBondContact CE-OD2 3.38Å; K99-D130 HydrophobicContact CG-CB 4.18Å; K99-D130 IonicContact NZ-OD1 3.95Å; K99-D130 PolarHBondContact NZ-OD1 3.14Å; K99-D130 IonicContact NZ-OD2 2.8Å; K99-D130 PolarHBondContact NZ-OD2 2.97Å
131	R	81.9	Confident	88.7	Confident	206 Å²	206	62.1 Å²	62.1	78%	0.777	29%	0.29	S	S	*	.	S	Bend	trans	-146.8	135.8	179.6	-64.4	-171.4	-177.5	-162.6	0.9	110.2	W36 I129	W36-R131 VanDerWaalsContact CD1-O 3.27Å; I129-R131 WeakPolarHBondContact CG2-O 3.49Å
132	H	83.3	Confident	88.8	Confident	136 Å²	136	60.3 Å²	60.3	63%	0.63	29%	0.29	S	S	*	.			trans	-75.2	153.3	172.8	-55.4	94	0	0	0	111	E163	H132-E163 WeakPolarHBondContact CA-OE2 3.31Å; H132-E163 WeakPolarHBondContact CB-OE2 3.44Å; H132-E163 IonicContact CD2-OE1 3.67Å; H132-E163 PolarHBondContact CD2-OE1 3.39Å; H132-E163 VanDerWaalsContact CD2-OE1 3.28Å; H132-E163 IonicContact CD2-OE2 2.76Å
133	G	86.4	Confident	88.7	Confident	3 Å²	3	61.7 Å²	61.7	3%	0.031	30%	0.296	C	S	.	.	S	Bend	trans	93.5	-177.7	-179.9	0	0	0	0	0	114.6	W36 E163	W36-G133 PolarHBondContact NE1-O 2.68Å; G133-E163 PolarHBondContact N-OE2 2.88Å
134	P	90.1	Very high	88.3	Confident	5 Å²	5	66.2 Å²	66.2	3%	0.032	31%	0.311	C	S	.	.			trans	-68.9	150.4	-170.2	22.7	-29	0	0	0	112.9	A160 I161 I175 D217 T226	P134-A160 HydrophobicContact CB-CB 4.34Å; P134-I161 VanDerWaalsContact CA-O 3.3Å; P134-I161 WeakPolarHBondContact CA-O 3.46Å; P134-I175 HydrophobicContact CB-CG1 4.37Å; P134-D217 HydrophobicContact CG-CB 4.33Å; P134-T226 HydrophobicContact CB-CG2 3.98Å; P134-T226 HydrophobicContact CG-CG2 3.96Å; P134-T226 WeakPolarHBondContact O-CB 3.46Å; P134-T226 WeakPolarHBondContact O-CG2 3.42Å; P134-T226 PolarHBondContact O-OG1 3.18Å
135	V	89.7	Confident	87.7	Confident	40 Å²	40	66.5 Å²	66.5	24%	0.242	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.4	177.2	177.7	0	0	0	0	109.7	I129 A160 I161	I129-V135 HydrophobicContact CD1-CB 4.27Å; I129-V135 HydrophobicContact CD1-CG1 4.37Å; I129-V135 HydrophobicContact CD1-CG2 4.04Å; I129-V135 HydrophobicContact CG2-CG2 4.03Å; V135-A160 CarbonylContact O-C 3.54Å; V135-I161 PolarHBondContact N-O 2.96Å; V135-I161 WeakPolarHBondContact O-CA 3.29Å; V135-I161 WeakPolarHBondContact O-CB 3.22Å; V135-I161 WeakPolarHBondContact O-CG1 3.44Å; V135-I161 PolarHBondContact O-N 2.83Å
136	F	91.1	Very high	86.9	Confident	15 Å²	15	59.7 Å²	59.7	7%	0.066	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	145.3	177.4	-73.7	-78.8	0	0	0	112.3	K138 Y141 I158 A160 Y178 A215 T226 V228	F136-K138 PolarHBondContact O-N 2.85Å; F136-Y141 HydrophobicContact CB-CE2 4.37Å; F136-Y141 AromaticContact CD1-CE2 3.99Å; F136-Y141 HydrophobicContact CD1-CE2 3.99Å; F136-Y141 HydrophobicContact CG-CE2 4.37Å; F136-I158 HydrophobicContact CE1-CD1 3.64Å; F136-I158 HydrophobicContact CE1-CG1 4.22Å; F136-I158 HydrophobicContact CZ-CD1 4.21Å; F136-A160 HydrophobicContact CD1-CB 4.02Å; F136-A160 HydrophobicContact CE1-CB 3.95Å; F136-A160 HydrophobicContact CZ-CB 4.48Å; F136-Y178 HydrophobicContact CE1-CD1 4.42Å; F136-Y178 HydrophobicContact CE1-CE1 4Å; F136-A215 HydrophobicContact CE1-CB 4.21Å; F136-A215 HydrophobicContact CE2-CB 4.22Å; F136-A215 HydrophobicContact CZ-CB 3.67Å; F136-T226 HydrophobicContact CD2-CG2 3.68Å; F136-T226 HydrophobicContact CE2-CG2 3.57Å; F136-T226 HydrophobicContact CZ-CG2 4.42Å; F136-V228 HydrophobicContact CB-CB 4.39Å; F136-V228 HydrophobicContact CD1-CB 4.42Å; F136-V228 HydrophobicContact CD1-CG1 3.93Å; F136-V228 HydrophobicContact CD2-CB 3.48Å; F136-V228 VanDerWaalsContact CD2-CB 3.48Å; F136-V228 HydrophobicContact CD2-CG1 3.69Å; F136-V228 HydrophobicContact CD2-CG2 4.44Å; F136-V228 HydrophobicContact CE1-CG1 3.8Å; F136-V228 HydrophobicContact CE2-CB 3.68Å; F136-V228 HydrophobicContact CE2-CG1 3.5Å; F136-V228 VanDerWaalsContact CE2-CG1 3.5Å; F136-V228 HydrophobicContact CG-CB 3.86Å; F136-V228 HydrophobicContact CG-CG1 3.87Å; F136-V228 HydrophobicContact CG-CG2 4.45Å; F136-V228 HydrophobicContact CZ-CB 4.27Å; F136-V228 HydrophobicContact CZ-CG1 3.57Å
137	D	85.8	Confident	86	Confident	33 Å²	33	62.9 Å²	62.9	18%	0.176	30%	0.303	C	S	.	.	S	Bend	trans	-60.5	-25.3	176.9	78.6	-44.4	0	0	0	112.7	Y34 I45 Y141 Q159 I161	Y34-D137 PolarHBondContact OH-O 2.74Å; I45-D137 HydrophobicContact CD1-CB 4.42Å; D137-Y141 WeakPolarHBondContact OD1-CE1 3.34Å; D137-Y141 PolarHBondContact OD1-OH 3.48Å; D137-Q159 PolarHBondContact N-O 3.41Å; D137-Q159 VanDerWaalsContact N-O 3.11Å; D137-I161 HydrophobicContact CB-CD1 4.31Å
138	K	85.8	Confident	85	Confident	101 Å²	101	66.5 Å²	66.5	44%	0.439	31%	0.312	S	S	.	.	S	Bend	trans	-127.7	146.1	-178.4	-69.9	161.6	-167.6	149.7	0	111.8	F136 H140 Y141	F136-K138 PolarHBondContact O-N 2.85Å; K138-H140 VanDerWaalsContact C-N 3.28Å; K138-H140 PolarHBondContact O-N 2.88Å; K138-Y141 HydrophobicContact CB-CD1 4.49Å; K138-Y141 HydrophobicContact CB-CE1 4.18Å; K138-Y141 HydrophobicContact CB-CE2 4.44Å; K138-Y141 HydrophobicContact CD-CD1 3.98Å; K138-Y141 HydrophobicContact CD-CE1 3.78Å; K138-Y141 HydrophobicContact CG-CE1 4.46Å
139	P	86.5	Confident	84.3	Confident	115 Å²	115	66 Å²	66	75%	0.747	31%	0.309	S	S	*	.	S	Bend	trans	-70.8	-23.6	179	29.7	-35.8	0	0	0	113.3
140	H	93.4	Very high	83.6	Confident	96 Å²	96	65.7 Å²	65.7	44%	0.444	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	152.9	172.2	56.3	84.6	0	0	0	108.8	K138 N142 S229	K138-H140 VanDerWaalsContact C-N 3.28Å; K138-H140 PolarHBondContact O-N 2.88Å; H140-N142 PolarHBondContact ND1-OD1 2.82Å; H140-S229 WeakPolarHBondContact CA-O 3.35Å; H140-S229 WeakPolarHBondContact CB-OG 3.38Å
141	Y	94.3	Very high	83.5	Confident	7 Å²	7	65.8 Å²	65.8	3%	0.027	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.3	172.7	-60.8	-99.4	0	0	0	109.8	F136 D137 K138 F143 I158 Q159 V228 S229 V230 T231	F136-Y141 HydrophobicContact CB-CE2 4.37Å; F136-Y141 AromaticContact CD1-CE2 3.99Å; F136-Y141 HydrophobicContact CD1-CE2 3.99Å; F136-Y141 HydrophobicContact CG-CE2 4.37Å; D137-Y141 WeakPolarHBondContact OD1-CE1 3.34Å; D137-Y141 PolarHBondContact OD1-OH 3.48Å; K138-Y141 HydrophobicContact CB-CD1 4.49Å; K138-Y141 HydrophobicContact CB-CE1 4.18Å; K138-Y141 HydrophobicContact CB-CE2 4.44Å; K138-Y141 HydrophobicContact CD-CD1 3.98Å; K138-Y141 HydrophobicContact CD-CE1 3.78Å; K138-Y141 HydrophobicContact CG-CE1 4.46Å; Y141-F143 AromaticContact CD1-CZ 3.88Å; Y141-F143 HydrophobicContact CD1-CZ 3.88Å; Y141-F143 HydrophobicContact CG-CE2 4.35Å; Y141-F143 HydrophobicContact CG-CZ 4.16Å; Y141-I158 HydrophobicContact CD1-CB 4.35Å; Y141-I158 HydrophobicContact CD1-CG2 3.79Å; Y141-I158 HydrophobicContact CD2-CB 4.3Å; Y141-I158 HydrophobicContact CD2-CG2 3.71Å; Y141-I158 HydrophobicContact CE1-CB 3.87Å; Y141-I158 HydrophobicContact CE1-CG2 3.84Å; Y141-I158 HydrophobicContact CE2-CB 3.8Å; Y141-I158 HydrophobicContact CE2-CG2 3.75Å; Y141-I158 HydrophobicContact CG-CG2 3.72Å; Y141-Q159 PolarHBondContact OH-N 3.11Å; Y141-Q159 PolarHBondContact OH-O 2.96Å; Y141-Q159 VanDerWaalsContact OH-O 3.13Å; Y141-V228 HydrophobicContact CD2-CB 4.46Å; Y141-V228 HydrophobicContact CD2-CG1 3.92Å; Y141-V228 HydrophobicContact CD2-CG2 3.71Å; Y141-V228 HydrophobicContact CE2-CB 4.32Å; Y141-V228 HydrophobicContact CE2-CG1 3.79Å; Y141-V228 HydrophobicContact CE2-CG2 3.79Å; Y141-S229 PolarHBondContact N-O 2.85Å; Y141-V230 HydrophobicContact CD2-CG2 4.2Å; Y141-V230 CarbonylContact O-C 3.57Å; Y141-V230 VanDerWaalsContact O-CA 3.3Å; Y141-V230 WeakPolarHBondContact O-CA 3Å; Y141-T231 PolarHBondContact O-N 2.04Å
142	N	92.4	Very high	83.4	Confident	92 Å²	92	57 Å²	57	49%	0.492	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	109.7	174.9	-60.4	16.7	0	0	0	107.3	H140 T231	H140-N142 PolarHBondContact ND1-OD1 2.82Å; N142-T231 WeakPolarHBondContact CA-O 3.21Å; N142-T231 VanDerWaalsContact CG-OG1 3.25Å; N142-T231 PolarHBondContact OD1-OG1 3.32Å
143	F	91.2	Very high	83.2	Confident	34 Å²	34	50.6 Å²	50.6	15%	0.149	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	152.1	176.1	-61.7	-57.6	0	0	0	110.5	Y141 V155 I158 I195 V230 T231 V232 E233	Y141-F143 AromaticContact CD1-CZ 3.88Å; Y141-F143 HydrophobicContact CD1-CZ 3.88Å; Y141-F143 HydrophobicContact CG-CE2 4.35Å; Y141-F143 HydrophobicContact CG-CZ 4.16Å; F143-V155 HydrophobicContact CB-CG1 3.92Å; F143-V155 HydrophobicContact CD2-CG1 4.43Å; F143-V155 HydrophobicContact CG-CG1 4.4Å; F143-I158 HydrophobicContact CE2-CG2 3.93Å; F143-I158 HydrophobicContact CZ-CG2 3.96Å; F143-I195 HydrophobicContact CE2-CD1 4.11Å; F143-V230 HydrophobicContact CD2-CG1 3.56Å; F143-V230 HydrophobicContact CE2-CG1 3.7Å; F143-T231 PolarHBondContact N-O 3.17Å; F143-V232 WeakPolarHBondContact O-CA 3.23Å; F143-E233 PolarHBondContact O-N 2.97Å
144	K	84.1	Confident	83.2	Confident	136 Å²	136	52.8 Å²	52.8	59%	0.591	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.3	175.2	-59.1	-160.8	-179.3	-156.8	0	109.4	E233 I235	K144-E233 WeakPolarHBondContact CA-O 3.5Å; K144-E233 WeakPolarHBondContact CE-OE2 3.42Å; K144-E233 HydrophobicContact CG-CB 4.35Å; K144-E233 IonicContact NZ-OE2 2.77Å; K144-E233 PolarHBondContact NZ-OE2 3.03Å; K144-I235 HydrophobicContact CB-CD1 3.81Å; K144-I235 HydrophobicContact CB-CG1 3.95Å; K144-I235 HydrophobicContact CD-CD1 3.82Å; K144-I235 HydrophobicContact CD-CG1 4.15Å; K144-I235 HydrophobicContact CG-CD1 4.42Å
145	L	81.5	Confident	83.1	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.037	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.4	-173	-170.6	66.1	0	0	0	110.2	S149 V155 F187 V197 L201 V232 E233 Q234 I235	L145-S149 VanDerWaalsContact CD1-OG 3.26Å; L145-S149 WeakPolarHBondContact CD1-OG 3.16Å; L145-S149 WeakPolarHBondContact CG-OG 3.32Å; L145-V155 HydrophobicContact CD1-CG2 4.22Å; L145-V155 HydrophobicContact CD2-CG1 4.27Å; L145-V155 HydrophobicContact CD2-CG2 3.82Å; L145-F187 HydrophobicContact CD2-CE1 3.61Å; L145-F187 HydrophobicContact CD2-CZ 4.17Å; L145-V197 HydrophobicContact CD1-CG2 4.46Å; L145-V197 HydrophobicContact CD2-CG2 3.84Å; L145-L201 HydrophobicContact CD2-CD1 3.51Å; L145-L201 HydrophobicContact CG-CD1 4.28Å; L145-V232 HydrophobicContact CB-CG1 3.82Å; L145-V232 HydrophobicContact CD2-CG1 4.07Å; L145-E233 PolarHBondContact N-O 3.33Å; L145-Q234 CarbonylContact O-C 3.56Å; L145-Q234 WeakPolarHBondContact O-CA 3.44Å; L145-I235 PolarHBondContact O-N 3.13Å
146	G	74.2	Confident	83.1	Confident	6 Å²	6	51.8 Å²	51.8	6%	0.062	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	138.7	175.1	0	0	0	0	0	111.7	R148 S149	G146-R148 PolarHBondContact O-N 2.88Å; G146-S149 WeakPolarHBondContact CA-OG 3.49Å; G146-S149 PolarHBondContact N-OG 3.16Å; G146-S149 VanDerWaalsContact N-OG 3.13Å; G146-S149 WeakPolarHBondContact O-CB 3.35Å; G146-S149 PolarHBondContact O-N 2.96Å; G146-S149 PolarHBondContact O-OG 2.94Å
147	Q	70.1	Confident	83.1	Confident	71 Å²	71	56.9 Å²	56.9	33%	0.332	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-27.3	175.6	-166.4	-178	29.7	0	0	113.2	I235	Q147-I235 PolarHBondContact N-O 3.44Å
148	R	66.9	Low	83.4	Confident	192 Å²	192	55.4 Å²	55.4	73%	0.725	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	19.2	179.3	-60.2	-176.2	-179	-179.8	0.2	114.3	G146 P150	G146-R148 PolarHBondContact O-N 2.88Å; R148-P150 WeakPolarHBondContact O-CD 3.4Å
149	S	74.3	Confident	83.6	Confident	5 Å²	5	55.1 Å²	55.1	4%	0.035	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-64.1	125.3	179.5	-54.4	0	0	0	0	110.5	L145 G146	L145-S149 VanDerWaalsContact CD1-OG 3.26Å; L145-S149 WeakPolarHBondContact CD1-OG 3.16Å; L145-S149 WeakPolarHBondContact CG-OG 3.32Å; G146-S149 WeakPolarHBondContact CA-OG 3.49Å; G146-S149 PolarHBondContact N-OG 3.16Å; G146-S149 VanDerWaalsContact N-OG 3.13Å; G146-S149 WeakPolarHBondContact O-CB 3.35Å; G146-S149 PolarHBondContact O-N 2.96Å; G146-S149 PolarHBondContact O-OG 2.94Å
150	P	70.2	Confident	83.8	Confident	9 Å²	9	49.9 Å²	49.9	6%	0.058	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-66.1	161.7	-177.8	23.6	-33.1	0	0	0	113.3	R148 G152 S153 V197 T274 F658	R148-P150 WeakPolarHBondContact O-CD 3.4Å; P150-G152 PolarHBondContact O-N 2.95Å; P150-S153 WeakPolarHBondContact CD-OG 3.3Å; P150-S153 WeakPolarHBondContact CG-OG 3.42Å; P150-S153 VanDerWaalsContact O-CB 3.25Å; P150-S153 WeakPolarHBondContact O-CB 3.42Å; P150-S153 PolarHBondContact O-N 2.94Å; P150-S153 VanDerWaalsContact O-N 3.07Å; P150-S153 PolarHBondContact O-OG 3.04Å; P150-S153 VanDerWaalsContact O-OG 3.13Å; P150-V197 WeakPolarHBondContact O-CB 3.43Å; P150-T274 HydrophobicContact CG-CG2 3.88Å; P150-F658 HydrophobicContact CB-CE2 3.7Å; P150-F658 HydrophobicContact CB-CZ 3.73Å; P150-F658 HydrophobicContact CG-CE2 4.21Å; P150-F658 HydrophobicContact CG-CZ 4.49Å
151	I	80.3	Confident	83.5	Confident	73 Å²	73	45.4 Å²	45.4	37%	0.374	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	135.8	166.6	-61.8	174	0	0	0	108.5	R198 T200	I151-R198 WeakPolarHBondContact CG2-O 3.39Å; I151-T200 HydrophobicContact CD1-CG2 4.37Å
152	G	79.7	Confident	83	Confident	22 Å²	22	47 Å²	47	23%	0.227	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-17.1	-174.3	0	0	0	0	0	115.3	P150 I154 V197	P150-G152 PolarHBondContact O-N 2.95Å; G152-I154 PolarHBondContact O-N 2.49Å; G152-V197 PolarHBondContact N-O 3.4Å
153	S	80.5	Confident	82.5	Confident	1 Å²	1	43 Å²	43	1%	0.007	21%	0.207	C	C	.	.			trans	-55.5	137.1	174.9	-74.5	0	0	0	0	111.9	P150 R196 V197	P150-S153 WeakPolarHBondContact CD-OG 3.3Å; P150-S153 WeakPolarHBondContact CG-OG 3.42Å; P150-S153 VanDerWaalsContact O-CB 3.25Å; P150-S153 WeakPolarHBondContact O-CB 3.42Å; P150-S153 PolarHBondContact O-N 2.94Å; P150-S153 VanDerWaalsContact O-N 3.07Å; P150-S153 PolarHBondContact O-OG 3.04Å; P150-S153 VanDerWaalsContact O-OG 3.13Å; S153-R196 CarbonylContact O-C 3.54Å; S153-R196 WeakPolarHBondContact O-CA 3.41Å; S153-V197 PolarHBondContact O-N 3.42Å
154	I	85.3	Confident	81.5	Confident	49 Å²	49	41.9 Å²	41.9	25%	0.251	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	125.3	175.3	-61.3	171.7	0	0	0	108.8	G152 V194 R196 P276	G152-I154 PolarHBondContact O-N 2.49Å; I154-V194 HydrophobicContact CD1-CG1 4.46Å; I154-V194 HydrophobicContact CG1-CG1 4.25Å; I154-V194 HydrophobicContact CG2-CG1 3.91Å; I154-R196 HydrophobicContact CG1-CG 4.25Å; I154-P276 HydrophobicContact CB-CB 4.49Å; I154-P276 HydrophobicContact CB-CG 4.11Å; I154-P276 PolarHBondContact N-O 3.37Å; I154-P276 VanDerWaalsContact N-O 3.13Å; I154-P276 WeakPolarHBondContact O-CG 3.43Å
155	V	88.3	Confident	80.8	Confident	11 Å²	11	37.2 Å²	37.2	7%	0.067	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-36.6	175.4	-174.6	0	0	0	0	110.5	F143 L145 F187 I195 V197 V232	F143-V155 HydrophobicContact CB-CG1 3.92Å; F143-V155 HydrophobicContact CD2-CG1 4.43Å; F143-V155 HydrophobicContact CG-CG1 4.4Å; L145-V155 HydrophobicContact CD1-CG2 4.22Å; L145-V155 HydrophobicContact CD2-CG1 4.27Å; L145-V155 HydrophobicContact CD2-CG2 3.82Å; V155-F187 HydrophobicContact CG2-CD1 3.71Å; V155-F187 HydrophobicContact CG2-CE1 3.84Å; V155-I195 HydrophobicContact CB-CB 4.22Å; V155-I195 HydrophobicContact CB-CG2 3.93Å; V155-I195 HydrophobicContact CG1-CG2 4.49Å; V155-I195 HydrophobicContact CG2-CG2 4.09Å; V155-I195 PolarHBondContact N-O 3.41Å; V155-V197 HydrophobicContact CG2-CG2 4.02Å; V155-V232 HydrophobicContact CG1-CB 4.42Å; V155-V232 HydrophobicContact CG1-CG1 3.65Å; V155-V232 HydrophobicContact CG1-CG2 3.84Å
156	G	88.9	Confident	79.9	Confident	13 Å²	13	42.4 Å²	42.4	13%	0.134	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	176.8	179.5	0	0	0	0	0	111.3	I195	G156-I195 PolarHBondContact O-N 2.97Å
157	Q	90.7	Very high	79.2	Confident	122 Å²	122	46.8 Å²	46.8	57%	0.57	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.9	171.4	-174.2	173.6	10.2	0	0	109.3	Y192 G193 V194	Q157-Y192 PolarHBondContact NE2-O 3.22Å; Q157-Y192 VanDerWaalsContact NE2-O 3.11Å; Q157-G193 WeakPolarHBondContact CA-O 3.47Å; Q157-V194 HydrophobicContact CB-CG2 4.42Å; Q157-V194 HydrophobicContact CG-CG2 4.01Å
158	I	92.3	Very high	78.9	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	25%	0.248	C	C	.	.			trans	-111.1	158	170.6	70.4	176	0	0	0	109.6	F136 Y141 F143 Y178 I189 G193 I195 V213 V230	F136-I158 HydrophobicContact CE1-CD1 3.64Å; F136-I158 HydrophobicContact CE1-CG1 4.22Å; F136-I158 HydrophobicContact CZ-CD1 4.21Å; Y141-I158 HydrophobicContact CD1-CB 4.35Å; Y141-I158 HydrophobicContact CD1-CG2 3.79Å; Y141-I158 HydrophobicContact CD2-CB 4.3Å; Y141-I158 HydrophobicContact CD2-CG2 3.71Å; Y141-I158 HydrophobicContact CE1-CB 3.87Å; Y141-I158 HydrophobicContact CE1-CG2 3.84Å; Y141-I158 HydrophobicContact CE2-CB 3.8Å; Y141-I158 HydrophobicContact CE2-CG2 3.75Å; Y141-I158 HydrophobicContact CG-CG2 3.72Å; F143-I158 HydrophobicContact CE2-CG2 3.93Å; F143-I158 HydrophobicContact CZ-CG2 3.96Å; I158-Y178 HydrophobicContact CD1-CD1 4.03Å; I158-Y178 HydrophobicContact CD1-CE1 4.3Å; I158-Y178 HydrophobicContact CG1-CD1 4.38Å; I158-Y178 HydrophobicContact CG1-CE1 4.3Å; I158-I189 HydrophobicContact CD1-CD1 3.78Å; I158-I189 HydrophobicContact CG1-CD1 4.18Å; I158-G193 PolarHBondContact N-O 2.95Å; I158-I195 HydrophobicContact CG2-CD1 4.25Å; I158-V213 HydrophobicContact CD1-CB 3.7Å; I158-V213 HydrophobicContact CD1-CG1 3.25Å; I158-V213 HydrophobicContact CD1-CG2 4.11Å; I158-V230 HydrophobicContact CG2-CG2 4.37Å
159	Q	91.1	Very high	78.7	Confident	95 Å²	95	41.2 Å²	41.2	44%	0.444	23%	0.23	S	C	.	.			trans	-137.2	115	177.2	-174.1	166	8.4	0	0	109.9	D137 Y141	D137-Q159 PolarHBondContact N-O 3.41Å; D137-Q159 VanDerWaalsContact N-O 3.11Å; Y141-Q159 PolarHBondContact OH-N 3.11Å; Y141-Q159 PolarHBondContact OH-O 2.96Å; Y141-Q159 VanDerWaalsContact OH-O 3.13Å
160	A	90.3	Very high	78.4	Confident	4 Å²	4	45 Å²	45	3%	0.033	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	153.2	157.9	0	0	0	0	0	109.3	P134 V135 F136 I175 Y178 A215	P134-A160 HydrophobicContact CB-CB 4.34Å; V135-A160 CarbonylContact O-C 3.54Å; F136-A160 HydrophobicContact CD1-CB 4.02Å; F136-A160 HydrophobicContact CE1-CB 3.95Å; F136-A160 HydrophobicContact CZ-CB 4.48Å; A160-I175 HydrophobicContact CB-CD1 3.61Å; A160-I175 HydrophobicContact CB-CG1 4.13Å; A160-I175 WeakPolarHBondContact O-CD1 3.46Å; A160-Y178 HydrophobicContact CB-CE1 3.86Å; A160-Y178 PolarHBondContact N-OH 2.84Å; A160-A215 HydrophobicContact CB-CB 3.57Å
161	I	86.1	Confident	78.4	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.1	177.5	-45.5	174.3	0	0	0	106.7	Y34 W36 H43 I45 P134 V135 D137	Y34-I161 HydrophobicContact CD1-CD1 4.11Å; Y34-I161 HydrophobicContact CD2-CD1 3.44Å; Y34-I161 VanDerWaalsContact CD2-CD1 3.44Å; Y34-I161 HydrophobicContact CE1-CD1 4.03Å; Y34-I161 HydrophobicContact CE2-CD1 3.37Å; Y34-I161 HydrophobicContact CG-CD1 3.81Å; W36-I161 HydrophobicContact CH2-CB 4.36Å; W36-I161 HydrophobicContact CH2-CG2 3.77Å; H43-I161 HydrophobicContact CB-CG2 4.27Å; H43-I161 WeakPolarHBondContact ND1-CG2 3.37Å; I45-I161 HydrophobicContact CD1-CD1 3.57Å; I45-I161 HydrophobicContact CD1-CG1 3.91Å; P134-I161 VanDerWaalsContact CA-O 3.3Å; P134-I161 WeakPolarHBondContact CA-O 3.46Å; V135-I161 PolarHBondContact N-O 2.96Å; V135-I161 WeakPolarHBondContact O-CA 3.29Å; V135-I161 WeakPolarHBondContact O-CB 3.22Å; V135-I161 WeakPolarHBondContact O-CG1 3.44Å; V135-I161 PolarHBondContact O-N 2.83Å; D137-I161 HydrophobicContact CB-CD1 4.31Å
162	E	84.7	Confident	78.2	Confident	40 Å²	40	48.9 Å²	48.9	19%	0.187	27%	0.272	C	S	.	.			trans	-77.7	149.5	177.8	65.4	-159.4	161.2	0	0	111.6	W36 V164 Y170 T173 A174 I175	W36-E162 WeakPolarHBondContact CH2-O 3.37Å; W36-E162 WeakPolarHBondContact CZ2-O 3.47Å; E162-V164 HydrophobicContact CG-CG2 3.9Å; E162-V164 PolarHBondContact O-N 3.25Å; E162-Y170 VanDerWaalsContact OE1-CE1 3.27Å; E162-Y170 WeakPolarHBondContact OE1-CE1 3.48Å; E162-T173 WeakPolarHBondContact CB-O 3.29Å; E162-A174 WeakPolarHBondContact OE2-CA 3.43Å; E162-I175 HydrophobicContact CB-CD1 4.35Å
163	E	81.7	Confident	78.1	Confident	10 Å²	10	48.6 Å²	48.6	5%	0.047	27%	0.265	C	S	.	.			trans	-75.9	109.3	177.9	176.9	170.9	-179.7	0	0	110.7	W36 H132 G133 N165 T173	W36-E163 HydrophobicContact CB-CG 4.43Å; W36-E163 HydrophobicContact CD2-CB 4.24Å; W36-E163 HydrophobicContact CD2-CG 3.95Å; W36-E163 HydrophobicContact CG-CB 4.48Å; W36-E163 HydrophobicContact CG-CG 3.77Å; W36-E163 HydrophobicContact CZ2-CB 4.27Å; H132-E163 WeakPolarHBondContact CA-OE2 3.31Å; H132-E163 WeakPolarHBondContact CB-OE2 3.44Å; H132-E163 IonicContact CD2-OE1 3.67Å; H132-E163 PolarHBondContact CD2-OE1 3.39Å; H132-E163 VanDerWaalsContact CD2-OE1 3.28Å; H132-E163 IonicContact CD2-OE2 2.76Å; G133-E163 PolarHBondContact N-OE2 2.88Å; E163-N165 PolarHBondContact OE1-ND2 2.85Å; E163-T173 HydrophobicContact CB-CG2 4.16Å; E163-T173 WeakPolarHBondContact O-CB 3.11Å; E163-T173 WeakPolarHBondContact O-CG2 3.3Å; E163-T173 PolarHBondContact O-OG1 2.92Å
164	V	70.6	Confident	78.4	Confident	10 Å²	10	49.7 Å²	49.7	6%	0.061	28%	0.275	C	S	.	.			trans	-101.9	88.2	-178.6	-173.2	0	0	0	0	110.3	E162 Y170	E162-V164 HydrophobicContact CG-CG2 3.9Å; E162-V164 PolarHBondContact O-N 3.25Å; V164-Y170 HydrophobicContact CG1-CE2 4.25Å
165	N	68.4	Low	78.5	Confident	38 Å²	38	49.3 Å²	49.3	20%	0.203	27%	0.272	C	S	.	.	S	Bend	trans	-87	-48.7	174.6	-72.4	-35.3	0	0	0	112.2	E163	E163-N165 PolarHBondContact OE1-ND2 2.85Å
166	Q	63.9	Low	78.5	Confident	115 Å²	115	51.5 Å²	51.5	54%	0.537	29%	0.288	S	S	.	.			trans	-146.6	154	174.5	-63.1	-174.5	29.9	0	0	110.6	S168 D169	Q166-S168 PolarHBondContact O-N 3.38Å; Q166-D169 PolarHBondContact O-N 2.84Å
167	P	59.5	Low	78.6	Confident	98 Å²	98	51.8 Å²	51.8	64%	0.636	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.7	179.3	-26	35.3	0	0	0	115.5	Y170	P167-Y170 WeakPolarHBondContact O-CD2 3.39Å
168	S	62.4	Low	78.8	Confident	86 Å²	86	47 Å²	47	60%	0.601	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-19.9	176.2	49.3	0	0	0	0	114.6	Q166	Q166-S168 PolarHBondContact O-N 3.38Å
169	D	64.2	Low	78.9	Confident	61 Å²	61	52.8 Å²	52.8	33%	0.326	29%	0.286	S	S	.	.			trans	-87.8	-7.3	-173.8	-77	-32.8	0	0	0	114.2	Q166 S171 N172 T173	Q166-D169 PolarHBondContact O-N 2.84Å; D169-S171 PolarHBondContact O-N 2.86Å; D169-N172 PolarHBondContact O-N 2.94Å; D169-T173 HydrophobicContact CB-CG2 4.41Å; D169-T173 PolarHBondContact O-N 3.15Å; D169-T173 VanDerWaalsContact O-N 3.15Å; D169-T173 PolarHBondContact O-OG1 3.09Å
170	Y	67.2	Low	79	Confident	84 Å²	84	49.1 Å²	49.1	33%	0.329	27%	0.27	S	S	.	.	H	α-helix	trans	-48.1	-34.7	-176.9	-96.4	-84.4	0	0	0	114.4	E162 V164 P167 N172 A174	E162-Y170 VanDerWaalsContact OE1-CE1 3.27Å; E162-Y170 WeakPolarHBondContact OE1-CE1 3.48Å; V164-Y170 HydrophobicContact CG1-CE2 4.25Å; P167-Y170 WeakPolarHBondContact O-CD2 3.39Å; Y170-N172 VanDerWaalsContact C-N 3.26Å; Y170-N172 PolarHBondContact O-N 3.2Å; Y170-A174 WeakPolarHBondContact O-CB 3.21Å; Y170-A174 PolarHBondContact O-N 3.4Å
171	S	70	Confident	79.1	Confident	88 Å²	88	52.3 Å²	52.3	62%	0.615	28%	0.284	S	S	*	.	H	α-helix	trans	-67.6	-24.1	-179.3	59.1	0	0	0	0	114.1	D169 C218	D169-S171 PolarHBondContact O-N 2.86Å; S171-C218 WeakPolarHBondContact O-CB 3.1Å
172	N	76.3	Confident	79.2	Confident	76 Å²	76	55.6 Å²	55.6	41%	0.406	31%	0.305	S	S	.	.	H	α-helix	trans	-100.4	-39	179.7	-69.8	-26.3	0	0	0	111.8	D169 Y170 C218 S219	D169-N172 PolarHBondContact O-N 2.94Å; Y170-N172 VanDerWaalsContact C-N 3.26Å; Y170-N172 PolarHBondContact O-N 3.2Å; N172-C218 CarbonylContact O-C 3.58Å; N172-C218 WeakPolarHBondContact O-CA 3.47Å; N172-C218 WeakPolarHBondContact O-CB 3.48Å; N172-C218 PolarHBondContact O-N 3.2Å; N172-S219 PolarHBondContact O-N 3.27Å; N172-S219 PolarHBondContact O-OG 3.12Å
173	T	78.4	Confident	79.2	Confident	15 Å²	15	58.9 Å²	58.9	9%	0.092	33%	0.328	C	S	.	.	H	α-helix	trans	-86.9	-15	-174.2	60.4	0	0	0	0	114.5	E162 E163 D169	E162-T173 WeakPolarHBondContact CB-O 3.29Å; E163-T173 HydrophobicContact CB-CG2 4.16Å; E163-T173 WeakPolarHBondContact O-CB 3.11Å; E163-T173 WeakPolarHBondContact O-CG2 3.3Å; E163-T173 PolarHBondContact O-OG1 2.92Å; D169-T173 HydrophobicContact CB-CG2 4.41Å; D169-T173 PolarHBondContact O-N 3.15Å; D169-T173 VanDerWaalsContact O-N 3.15Å; D169-T173 PolarHBondContact O-OG1 3.09Å
174	A	85.2	Confident	79.3	Confident	25 Å²	25	65 Å²	65	21%	0.207	36%	0.361	C	S	.	.	S	Bend	trans	-57.2	153.1	175.4	0	0	0	0	0	112.9	E162 Y170 C176 D217 C218	E162-A174 WeakPolarHBondContact OE2-CA 3.43Å; Y170-A174 WeakPolarHBondContact O-CB 3.21Å; Y170-A174 PolarHBondContact O-N 3.4Å; A174-C176 PolarHBondContact O-N 2.84Å; A174-D217 CarbonylContact O-C 3.11Å; A174-D217 VanDerWaalsContact O-CA 3.26Å; A174-D217 WeakPolarHBondContact O-CA 3.4Å; A174-C218 PolarHBondContact O-N 3.47Å; A174-C218 PolarHBondContact O-SG 3.13Å
175	I	88.1	Confident	80.1	Confident	40 Å²	40	64.8 Å²	64.8	21%	0.205	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	113.1	-179.2	-63.7	141.4	0	0	0	110	P134 A160 E162 Y178	P134-I175 HydrophobicContact CB-CG1 4.37Å; A160-I175 HydrophobicContact CB-CD1 3.61Å; A160-I175 HydrophobicContact CB-CG1 4.13Å; A160-I175 WeakPolarHBondContact O-CD1 3.46Å; E162-I175 HydrophobicContact CB-CD1 4.35Å; I175-Y178 HydrophobicContact CG2-CD2 4.39Å; I175-Y178 HydrophobicContact CG2-CE1 4.29Å; I175-Y178 HydrophobicContact CG2-CE2 3.79Å
176	C	88	Confident	81.1	Confident	57 Å²	57	64 Å²	64	39%	0.385	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-32	-175.6	-105.3	0	0	0	0	113.2	A174 E216 C218	A174-C176 PolarHBondContact O-N 2.84Å; C176-E216 PolarHBondContact N-O 3.2Å; C176-C218 VanDerWaalsContact CA-SG 3.55Å; C176-C218 HydrophobicContact CB-CB 4.07Å; C176-C218 WeakPolarHBondContact CB-SG 3.25Å; C176-C218 WeakPolarHBondContact SG-CA 3.4Å; C176-C218 WeakPolarHBondContact SG-CB 3.19Å; C176-C218 CovalentContact SG-SG 2.04Å; C176-C218 PolarHBondContact SG-SG 3.07Å
177	S	91.6	Very high	82.5	Confident	19 Å²	19	58.7 Å²	58.7	13%	0.133	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	154.3	177.4	69.7	0	0	0	0	113.9	E216	S177-E216 PolarHBondContact N-O 2.89Å; S177-E216 PolarHBondContact O-N 2.93Å
178	Y	95.3	Very high	84	Confident	21 Å²	21	56.2 Å²	56.2	8%	0.082	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	140.6	163.3	-63.5	-87.5	0	0	0	109.6	F136 I158 A160 I175 I189 N191 V213 I214 A215	F136-Y178 HydrophobicContact CE1-CD1 4.42Å; F136-Y178 HydrophobicContact CE1-CE1 4Å; I158-Y178 HydrophobicContact CD1-CD1 4.03Å; I158-Y178 HydrophobicContact CD1-CE1 4.3Å; I158-Y178 HydrophobicContact CG1-CD1 4.38Å; I158-Y178 HydrophobicContact CG1-CE1 4.3Å; A160-Y178 HydrophobicContact CB-CE1 3.86Å; A160-Y178 PolarHBondContact N-OH 2.84Å; I175-Y178 HydrophobicContact CG2-CD2 4.39Å; I175-Y178 HydrophobicContact CG2-CE1 4.29Å; I175-Y178 HydrophobicContact CG2-CE2 3.79Å; Y178-I189 HydrophobicContact CG-CD1 4.39Å; Y178-N191 WeakPolarHBondContact CD2-O 3.21Å; Y178-N191 WeakPolarHBondContact CE2-O 3.48Å; Y178-V213 HydrophobicContact CD1-CG1 4.39Å; Y178-I214 CarbonylContact C-O 3.47Å; Y178-I214 WeakPolarHBondContact CA-O 3.49Å; Y178-A215 HydrophobicContact CD1-CB 3.84Å; Y178-A215 HydrophobicContact CE1-CB 3.74Å
179	R	93.8	Very high	85.6	Confident	124 Å²	124	53.6 Å²	53.6	47%	0.468	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141	176	-67.9	-175.6	178.4	130.8	12.3	110.5	V213 I214 E216	R179-V213 WeakPolarHBondContact O-CA 3.47Å; R179-V213 WeakPolarHBondContact O-CG1 3.34Å; R179-I214 PolarHBondContact N-O 3.13Å; R179-I214 PolarHBondContact O-N 3.26Å; R179-E216 IonicContact CZ-OE1 3.75Å; R179-E216 IonicContact CZ-OE2 3.46Å; R179-E216 IonicContact NH1-OE1 3.82Å; R179-E216 PolarHBondContact NH1-OE1 2.89Å; R179-E216 IonicContact NH1-OE2 3.39Å; R179-E216 PolarHBondContact NH1-OE2 3.12Å; R179-E216 IonicContact NH2-OE2 2.72Å
180	L	93.5	Very high	86.8	Confident	19 Å²	19	52.9 Å²	52.9	10%	0.099	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.3	-177.1	-164.9	146.8	0	0	0	110	S185 F187 I189 I195 L211 V213	L180-S185 WeakPolarHBondContact CD2-OG 3.42Å; L180-F187 HydrophobicContact CD1-CB 4.44Å; L180-I189 HydrophobicContact CB-CB 4.43Å; L180-I189 HydrophobicContact CB-CG2 3.82Å; L180-I189 HydrophobicContact CD1-CB 4.25Å; L180-I195 HydrophobicContact CD1-CD1 4.4Å; L180-I195 HydrophobicContact CD1-CG1 4.45Å; L180-I195 HydrophobicContact CD1-CG2 4.28Å; L180-L211 HydrophobicContact CD1-CD1 4.15Å; L180-L211 HydrophobicContact CD2-CB 4.36Å; L180-L211 HydrophobicContact CD2-CD1 4.32Å; L180-L211 HydrophobicContact CD2-CD2 4.23Å; L180-L211 HydrophobicContact CG-CB 4.49Å; L180-V213 HydrophobicContact CD1-CG2 4.08Å; L180-V213 HydrophobicContact CG-CG2 4.14Å
181	E	91.9	Very high	87.9	Confident	71 Å²	71	54 Å²	54	33%	0.332	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131.5	-175.1	-169.8	-176.7	179.6	0	0	110	R212	E181-R212 HydrophobicContact CB-CB 4.32Å; E181-R212 PolarHBondContact N-O 2.58Å; E181-R212 PolarHBondContact O-N 3.43Å; E181-R212 IonicContact OE1-CZ 2.7Å; E181-R212 IonicContact OE1-NH2 2.8Å; E181-R212 PolarHBondContact OE1-NH2 3.32Å; E181-R212 IonicContact OE2-CZ 3.76Å; E181-R212 IonicContact OE2-NE 3.39Å; E181-R212 PolarHBondContact OE2-NE 3.07Å; E181-R212 IonicContact OE2-NH2 2.92Å; E181-R212 PolarHBondContact OE2-NH2 3.41Å
182	P	88.8	Confident	88.7	Confident	70 Å²	70	58.2 Å²	58.2	46%	0.455	31%	0.308	S	S	.	.	S	Bend	cis	-66.3	148.6	-2.3	29.9	-35.9	0	0	0	112.5	D184 S185	P182-D184 PolarHBondContact O-N 3.15Å; P182-S185 WeakPolarHBondContact O-CB 3.27Å; P182-S185 PolarHBondContact O-N 3.28Å; P182-S185 VanDerWaalsContact O-N 3.1Å
183	V	85	Confident	89.4	Confident	109 Å²	109	54.6 Å²	54.6	66%	0.661	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.4	179.9	-177.9	0	0	0	0	111.4	S185 R198	V183-S185 PolarHBondContact O-N 2.86Å; V183-R198 PolarHBondContact O-NH1 2.73Å
184	D	82.8	Confident	90.1	Very high	140 Å²	140	54.7 Å²	54.7	75%	0.749	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	16.1	178.2	-54.1	-40.3	0	0	0	113.6	P182	P182-D184 PolarHBondContact O-N 3.15Å
185	S	89.1	Confident	90.5	Very high	5 Å²	5	53.5 Å²	53.5	4%	0.035	28%	0.279	C	S	.	.	S	Bend	trans	-64.4	155	171.4	93.9	0	0	0	0	111.1	L180 P182 V183 F187 R198	L180-S185 WeakPolarHBondContact CD2-OG 3.42Å; P182-S185 WeakPolarHBondContact O-CB 3.27Å; P182-S185 PolarHBondContact O-N 3.28Å; P182-S185 VanDerWaalsContact O-N 3.1Å; V183-S185 PolarHBondContact O-N 2.86Å; S185-F187 PolarHBondContact O-N 2.96Å; S185-F187 PolarHBondContact OG-N 3.05Å; S185-F187 VanDerWaalsContact OG-N 3.09Å; S185-F187 PolarHBondContact OG-O 3.11Å; S185-R198 PolarHBondContact O-NH1 2.79Å; S185-R198 PolarHBondContact O-NH2 3.4Å
186	P	88.5	Confident	90.6	Very high	22 Å²	22	55 Å²	55	14%	0.143	28%	0.282	C	S	.	.	S	Bend	trans	-72.2	13.2	174.2	33.5	-37.4	0	0	0	113.3	R198 E199 L201 Y209	P186-R198 WeakPolarHBondContact O-CB 3.32Å; P186-R198 PolarHBondContact O-N 3.22Å; P186-E199 HydrophobicContact CB-CB 4.1Å; P186-E199 PolarHBondContact O-N 2.74Å; P186-L201 HydrophobicContact CB-CD2 3.87Å; P186-L201 HydrophobicContact CG-CD2 3.76Å; P186-Y209 HydrophobicContact CG-CD1 4.28Å; P186-Y209 HydrophobicContact CG-CE1 3.78Å
187	F	92.7	Very high	90.6	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.009	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151.7	179	-52.4	-72.7	0	0	0	111.6	L145 V155 L180 S185 I195 R196 V197 L201 Y209 L211 V232	L145-F187 HydrophobicContact CD2-CE1 3.61Å; L145-F187 HydrophobicContact CD2-CZ 4.17Å; V155-F187 HydrophobicContact CG2-CD1 3.71Å; V155-F187 HydrophobicContact CG2-CE1 3.84Å; L180-F187 HydrophobicContact CD1-CB 4.44Å; S185-F187 PolarHBondContact O-N 2.96Å; S185-F187 PolarHBondContact OG-N 3.05Å; S185-F187 VanDerWaalsContact OG-N 3.09Å; S185-F187 PolarHBondContact OG-O 3.11Å; F187-I195 HydrophobicContact CB-CG2 4.02Å; F187-I195 HydrophobicContact CG-CG2 4.47Å; F187-R196 CarbonylContact C-O 3.5Å; F187-R196 WeakPolarHBondContact CA-O 3.36Å; F187-V197 HydrophobicContact CD1-CG2 4.45Å; F187-V197 HydrophobicContact CE1-CG2 4.29Å; F187-L201 HydrophobicContact CE1-CD1 4.44Å; F187-L201 HydrophobicContact CE1-CD2 3.91Å; F187-L201 HydrophobicContact CZ-CD2 3.79Å; F187-Y209 HydrophobicContact CE2-CD1 4.06Å; F187-Y209 AromaticContact CE2-CD2 3.72Å; F187-Y209 HydrophobicContact CE2-CD2 3.72Å; F187-Y209 HydrophobicContact CE2-CE2 4.22Å; F187-Y209 AromaticContact CE2-CG 3.62Å; F187-Y209 HydrophobicContact CE2-CG 3.62Å; F187-Y209 AromaticContact CZ-CD2 3.73Å; F187-Y209 HydrophobicContact CZ-CD2 3.73Å; F187-Y209 AromaticContact CZ-CE2 3.99Å; F187-Y209 HydrophobicContact CZ-CE2 3.99Å; F187-Y209 HydrophobicContact CZ-CG 4.15Å; F187-L211 HydrophobicContact CB-CD1 4.43Å; F187-L211 HydrophobicContact CD2-CD1 3.48Å; F187-L211 VanDerWaalsContact CD2-CD1 3.48Å; F187-L211 HydrophobicContact CD2-CD2 4.08Å; F187-L211 HydrophobicContact CD2-CG 4.37Å; F187-L211 HydrophobicContact CE2-CD1 4.01Å; F187-L211 HydrophobicContact CE2-CD2 4.47Å; F187-L211 HydrophobicContact CG-CD1 4.15Å; F187-V232 HydrophobicContact CE1-CG1 4.46Å; F187-V232 HydrophobicContact CE2-CG2 4.44Å; F187-V232 HydrophobicContact CZ-CB 4.32Å; F187-V232 HydrophobicContact CZ-CG1 4Å; F187-V232 HydrophobicContact CZ-CG2 4.47Å
188	S	92	Very high	90.3	Very high	47 Å²	47	55.7 Å²	55.7	33%	0.329	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	155.1	170	60.1	0	0	0	0	109.9	I195 R196	S188-I195 CarbonylContact O-C 3.44Å; S188-I195 VanDerWaalsContact O-CA 3.29Å; S188-I195 WeakPolarHBondContact O-CA 3.37Å; S188-R196 PolarHBondContact N-O 2.85Å; S188-R196 PolarHBondContact O-N 3.48Å
189	I	94.5	Very high	89.7	Confident	30 Å²	30	58.9 Å²	58.9	15%	0.154	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.6	170.5	-164	169.1	0	0	0	109	I158 Y178 L180 I195 V213	I158-I189 HydrophobicContact CD1-CD1 3.78Å; I158-I189 HydrophobicContact CG1-CD1 4.18Å; Y178-I189 HydrophobicContact CG-CD1 4.39Å; L180-I189 HydrophobicContact CB-CB 4.43Å; L180-I189 HydrophobicContact CB-CG2 3.82Å; L180-I189 HydrophobicContact CD1-CB 4.25Å; I189-I195 HydrophobicContact CB-CG1 4.32Å; I189-I195 HydrophobicContact CD1-CD1 4.35Å; I189-I195 HydrophobicContact CD1-CG1 3.73Å; I189-I195 HydrophobicContact CG1-CG1 3.91Å; I189-V213 HydrophobicContact CD1-CG1 3.65Å; I189-V213 HydrophobicContact CD1-CG2 4.35Å
190	N	90.5	Very high	88.9	Confident	46 Å²	46	56.5 Å²	56.5	25%	0.246	29%	0.289	C	S	.	.			trans	-98.1	172.3	174.2	72.3	3.7	0	0	0	111.7	Y192 G193 V194 R196	N190-Y192 PolarHBondContact O-N 2.83Å; N190-Y192 WeakPolarHBondContact OD1-CA 3.43Å; N190-Y192 PolarHBondContact OD1-N 2.82Å; N190-Y192 VanDerWaalsContact OD1-N 3.09Å; N190-G193 PolarHBondContact O-N 2.86Å; N190-G193 PolarHBondContact OD1-N 3.39Å; N190-V194 PolarHBondContact N-O 2.94Å; N190-V194 WeakPolarHBondContact OD1-CB 3.1Å; N190-V194 PolarHBondContact OD1-N 2.89Å; N190-R196 PolarHBondContact ND2-NH1 2.89Å
191	N	89.1	Confident	88	Confident	109 Å²	109	56.1 Å²	56.1	58%	0.583	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-5.7	179	-63.2	-2.9	0	0	0	114.3	Y178	Y178-N191 WeakPolarHBondContact CD2-O 3.21Å; Y178-N191 WeakPolarHBondContact CE2-O 3.48Å
192	Y	88.1	Confident	86.7	Confident	176 Å²	176	59.8 Å²	59.8	69%	0.69	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	10.7	176.7	-55	-71.6	0	0	0	113.2	Q157 N190 V194	Q157-Y192 PolarHBondContact NE2-O 3.22Å; Q157-Y192 VanDerWaalsContact NE2-O 3.11Å; N190-Y192 PolarHBondContact O-N 2.83Å; N190-Y192 WeakPolarHBondContact OD1-CA 3.43Å; N190-Y192 PolarHBondContact OD1-N 2.82Å; N190-Y192 VanDerWaalsContact OD1-N 3.09Å; Y192-V194 VanDerWaalsContact C-N 3.32Å; Y192-V194 PolarHBondContact O-N 2.86Å
193	G	91.3	Very high	85.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.299	C	S	.	.	S	Bend	trans	77.1	10.2	177.8	0	0	0	0	0	115	Q157 I158 N190	Q157-G193 WeakPolarHBondContact CA-O 3.47Å; I158-G193 PolarHBondContact N-O 2.95Å; N190-G193 PolarHBondContact O-N 2.86Å; N190-G193 PolarHBondContact OD1-N 3.39Å
194	V	92.5	Very high	83.8	Confident	17 Å²	17	61.2 Å²	61.2	10%	0.103	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	116.1	-179.6	-173.3	0	0	0	0	110	I154 Q157 N190 Y192	I154-V194 HydrophobicContact CD1-CG1 4.46Å; I154-V194 HydrophobicContact CG1-CG1 4.25Å; I154-V194 HydrophobicContact CG2-CG1 3.91Å; Q157-V194 HydrophobicContact CB-CG2 4.42Å; Q157-V194 HydrophobicContact CG-CG2 4.01Å; N190-V194 PolarHBondContact N-O 2.94Å; N190-V194 WeakPolarHBondContact OD1-CB 3.1Å; N190-V194 PolarHBondContact OD1-N 2.89Å; Y192-V194 VanDerWaalsContact C-N 3.32Å; Y192-V194 PolarHBondContact O-N 2.86Å
195	I	93.7	Very high	82.5	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.4	178	-56.9	175.6	0	0	0	109.3	F143 V155 G156 I158 L180 F187 S188 I189 V213 V230	F143-I195 HydrophobicContact CE2-CD1 4.11Å; V155-I195 HydrophobicContact CB-CB 4.22Å; V155-I195 HydrophobicContact CB-CG2 3.93Å; V155-I195 HydrophobicContact CG1-CG2 4.49Å; V155-I195 HydrophobicContact CG2-CG2 4.09Å; V155-I195 PolarHBondContact N-O 3.41Å; G156-I195 PolarHBondContact O-N 2.97Å; I158-I195 HydrophobicContact CG2-CD1 4.25Å; L180-I195 HydrophobicContact CD1-CD1 4.4Å; L180-I195 HydrophobicContact CD1-CG1 4.45Å; L180-I195 HydrophobicContact CD1-CG2 4.28Å; F187-I195 HydrophobicContact CB-CG2 4.02Å; F187-I195 HydrophobicContact CG-CG2 4.47Å; S188-I195 CarbonylContact O-C 3.44Å; S188-I195 VanDerWaalsContact O-CA 3.29Å; S188-I195 WeakPolarHBondContact O-CA 3.37Å; I189-I195 HydrophobicContact CB-CG1 4.32Å; I189-I195 HydrophobicContact CD1-CD1 4.35Å; I189-I195 HydrophobicContact CD1-CG1 3.73Å; I189-I195 HydrophobicContact CG1-CG1 3.91Å; I195-V213 HydrophobicContact CD1-CG2 4.3Å; I195-V230 HydrophobicContact CD1-CG1 4.02Å
196	R	89.3	Confident	81.1	Confident	71 Å²	71	64 Å²	64	27%	0.268	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	155.3	177.9	-71.6	-177.6	178.8	78.7	-0.8	112.3	S153 I154 F187 S188 N190 R198	S153-R196 CarbonylContact O-C 3.54Å; S153-R196 WeakPolarHBondContact O-CA 3.41Å; I154-R196 HydrophobicContact CG1-CG 4.25Å; F187-R196 CarbonylContact C-O 3.5Å; F187-R196 WeakPolarHBondContact CA-O 3.36Å; S188-R196 PolarHBondContact N-O 2.85Å; S188-R196 PolarHBondContact O-N 3.48Å; N190-R196 PolarHBondContact ND2-NH1 2.89Å; R196-R198 PolarHBondContact O-N 2.86Å
197	V	88.4	Confident	80.4	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.012	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	122.5	167.8	-177.5	0	0	0	0	109.2	L145 P150 G152 S153 V155 F187 E199 L201	L145-V197 HydrophobicContact CD1-CG2 4.46Å; L145-V197 HydrophobicContact CD2-CG2 3.84Å; P150-V197 WeakPolarHBondContact O-CB 3.43Å; G152-V197 PolarHBondContact N-O 3.4Å; S153-V197 PolarHBondContact O-N 3.42Å; V155-V197 HydrophobicContact CG2-CG2 4.02Å; F187-V197 HydrophobicContact CD1-CG2 4.45Å; F187-V197 HydrophobicContact CE1-CG2 4.29Å; V197-E199 WeakPolarHBondContact CG1-O 3.16Å; V197-L201 HydrophobicContact CG1-CD1 4.48Å; V197-L201 HydrophobicContact CG1-CG 4.27Å; V197-L201 HydrophobicContact CG2-CD1 4.32Å
198	R	85.7	Confident	79.9	Confident	89 Å²	89	75.6 Å²	75.6	34%	0.336	38%	0.376	S	S	.	.			trans	-94.9	-36.6	176.1	-171.6	-179.8	79.7	-164.1	8.5	111.7	I151 V183 S185 P186 R196	I151-R198 WeakPolarHBondContact CG2-O 3.39Å; V183-R198 PolarHBondContact O-NH1 2.73Å; S185-R198 PolarHBondContact O-NH1 2.79Å; S185-R198 PolarHBondContact O-NH2 3.4Å; P186-R198 WeakPolarHBondContact O-CB 3.32Å; P186-R198 PolarHBondContact O-N 3.22Å; R196-R198 PolarHBondContact O-N 2.86Å
199	E	83.6	Confident	79.7	Confident	87 Å²	87	75.5 Å²	75.5	41%	0.407	37%	0.369	S	S	.	.	S	Bend	trans	-135.2	160	-172.5	-75.4	162.3	-134.5	0	0	111.1	P186 V197 L201	P186-E199 HydrophobicContact CB-CB 4.1Å; P186-E199 PolarHBondContact O-N 2.74Å; V197-E199 WeakPolarHBondContact CG1-O 3.16Å; E199-L201 PolarHBondContact O-N 2.7Å
200	T	76	Confident	79.5	Confident	74 Å²	74	78.5 Å²	78.5	45%	0.454	39%	0.392	S	S	.	.			trans	-64	130.9	177.6	46.7	0	0	0	0	111	I151 L202	I151-T200 HydrophobicContact CD1-CG2 4.37Å; T200-L202 PolarHBondContact O-N 2.8Å
201	L	75.7	Confident	79.6	Confident	12 Å²	12	76.7 Å²	76.7	6%	0.063	38%	0.382	C	S	.	.			trans	-81.3	66.3	-172.3	-63.8	173.2	0	0	0	112	L145 P186 F187 V197 E199 S203 Y209	L145-L201 HydrophobicContact CD2-CD1 3.51Å; L145-L201 HydrophobicContact CG-CD1 4.28Å; P186-L201 HydrophobicContact CB-CD2 3.87Å; P186-L201 HydrophobicContact CG-CD2 3.76Å; F187-L201 HydrophobicContact CE1-CD1 4.44Å; F187-L201 HydrophobicContact CE1-CD2 3.91Å; F187-L201 HydrophobicContact CZ-CD2 3.79Å; V197-L201 HydrophobicContact CG1-CD1 4.48Å; V197-L201 HydrophobicContact CG1-CG 4.27Å; V197-L201 HydrophobicContact CG2-CD1 4.32Å; E199-L201 PolarHBondContact O-N 2.7Å; L201-S203 PolarHBondContact O-N 2.73Å; L201-Y209 HydrophobicContact CD2-CE2 4.16Å
202	L	63	Low	79.9	Confident	148 Å²	148	77 Å²	77	78%	0.775	38%	0.376	S	S	*	.			trans	-70	5.3	-173.8	-63.8	173.2	0	0	0	115.4	T200 L204	T200-L202 PolarHBondContact O-N 2.8Å; L202-L204 PolarHBondContact O-N 2.78Å; L202-L204 VanDerWaalsContact O-N 3.08Å
203	S	60.5	Low	80.3	Confident	37 Å²	37	68.7 Å²	68.7	26%	0.259	34%	0.343	S	S	.	.			trans	-67.5	109.9	179.8	-176.5	0	0	0	0	111.3	L201 A205 Y209	L201-S203 PolarHBondContact O-N 2.73Å; S203-A205 PolarHBondContact O-N 3.08Å; S203-A205 PolarHBondContact OG-N 3.03Å; S203-A205 PolarHBondContact OG-O 2.96Å; S203-A205 VanDerWaalsContact OG-O 3.11Å; S203-Y209 WeakPolarHBondContact CB-OH 3.43Å
204	L	52.5	Low	80.4	Confident	171 Å²	171	70.2 Å²	70.2	90%	0.895	35%	0.351	S	S	*	.			trans	-68.2	-15.8	167.1	-77.3	158.8	0	0	0	112.8	L202	L202-L204 PolarHBondContact O-N 2.78Å; L202-L204 VanDerWaalsContact O-N 3.08Å
205	A	55.2	Low	80.5	Confident	46 Å²	46	69.4 Å²	69.4	38%	0.38	35%	0.346	S	S	.	.	S	Bend	trans	-86.6	123.3	179.6	0	0	0	0	0	110.7	S203 R207	S203-A205 PolarHBondContact O-N 3.08Å; S203-A205 PolarHBondContact OG-N 3.03Å; S203-A205 PolarHBondContact OG-O 2.96Å; S203-A205 VanDerWaalsContact OG-O 3.11Å; A205-R207 HydrophobicContact CB-CG 4.43Å; A205-R207 PolarHBondContact O-N 3.08Å
206	Q	60.4	Low	80.5	Confident	157 Å²	157	69.9 Å²	69.9	73%	0.734	35%	0.348	S	S	*	.			trans	-65.9	29.1	172.5	-65	179.2	-28.6	0	0	114
207	R	74.5	Confident	80.5	Confident	197 Å²	197	66.7 Å²	66.7	74%	0.743	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-89.2	132.8	177.6	-66.4	-176.1	179.8	-171.4	0.2	108.7	A205	A205-R207 HydrophobicContact CB-CG 4.43Å; A205-R207 PolarHBondContact O-N 3.08Å
208	P	82.5	Confident	80.5	Confident	71 Å²	71	67.7 Å²	67.7	46%	0.461	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-62.8	143.3	172.8	27.3	-33.9	0	0	0	110	S210 V232 E233	P208-S210 PolarHBondContact O-N 3.39Å; P208-V232 CarbonylContact C-O 3.58Å; P208-V232 VanDerWaalsContact CA-O 3.27Å; P208-V232 WeakPolarHBondContact CA-O 3.42Å; P208-E233 HydrophobicContact CB-CG 4.12Å
209	Y	87.8	Confident	80.5	Confident	46 Å²	46	64.2 Å²	64.2	18%	0.18	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	124.4	168.9	-60.6	-90.8	0	0	0	108.4	P186 F187 L201 S203 T231 V232 Q234	P186-Y209 HydrophobicContact CG-CD1 4.28Å; P186-Y209 HydrophobicContact CG-CE1 3.78Å; F187-Y209 HydrophobicContact CE2-CD1 4.06Å; F187-Y209 AromaticContact CE2-CD2 3.72Å; F187-Y209 HydrophobicContact CE2-CD2 3.72Å; F187-Y209 HydrophobicContact CE2-CE2 4.22Å; F187-Y209 AromaticContact CE2-CG 3.62Å; F187-Y209 HydrophobicContact CE2-CG 3.62Å; F187-Y209 AromaticContact CZ-CD2 3.73Å; F187-Y209 HydrophobicContact CZ-CD2 3.73Å; F187-Y209 AromaticContact CZ-CE2 3.99Å; F187-Y209 HydrophobicContact CZ-CE2 3.99Å; F187-Y209 HydrophobicContact CZ-CG 4.15Å; L201-Y209 HydrophobicContact CD2-CE2 4.16Å; S203-Y209 WeakPolarHBondContact CB-OH 3.43Å; Y209-T231 CarbonylContact O-C 3.53Å; Y209-T231 WeakPolarHBondContact O-CA 3.41Å; Y209-V232 HydrophobicContact CD2-CB 4.44Å; Y209-V232 PolarHBondContact N-O 2.72Å; Y209-V232 PolarHBondContact O-N 2.84Å; Y209-Q234 HydrophobicContact CD2-CG 4.44Å; Y209-Q234 HydrophobicContact CE2-CG 3.84Å; Y209-Q234 PolarHBondContact OH-NE2 3.12Å
210	S	89.3	Confident	80.5	Confident	93 Å²	93	69.1 Å²	69.1	65%	0.65	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	113.6	169.2	-170	0	0	0	0	108.1	P208	P208-S210 PolarHBondContact O-N 3.39Å
211	L	92.4	Very high	80.8	Confident	7 Å²	7	71.3 Å²	71.3	4%	0.037	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.9	179.3	-46.6	173.3	0	0	0	108	L180 F187 V230 V232	L180-L211 HydrophobicContact CD1-CD1 4.15Å; L180-L211 HydrophobicContact CD2-CB 4.36Å; L180-L211 HydrophobicContact CD2-CD1 4.32Å; L180-L211 HydrophobicContact CD2-CD2 4.23Å; L180-L211 HydrophobicContact CG-CB 4.49Å; F187-L211 HydrophobicContact CB-CD1 4.43Å; F187-L211 HydrophobicContact CD2-CD1 3.48Å; F187-L211 VanDerWaalsContact CD2-CD1 3.48Å; F187-L211 HydrophobicContact CD2-CD2 4.08Å; F187-L211 HydrophobicContact CD2-CG 4.37Å; F187-L211 HydrophobicContact CE2-CD1 4.01Å; F187-L211 HydrophobicContact CE2-CD2 4.47Å; F187-L211 HydrophobicContact CG-CD1 4.15Å; L211-V230 HydrophobicContact CB-CB 4.31Å; L211-V230 PolarHBondContact N-O 3.44Å; L211-V230 PolarHBondContact O-N 3.05Å; L211-V232 HydrophobicContact CD1-CG2 3.88Å
212	R	95.1	Very high	81.3	Confident	117 Å²	117	76.1 Å²	76.1	44%	0.442	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.7	166.2	178.7	164.8	69.9	-177.3	-1.2	108	E181 V228	E181-R212 HydrophobicContact CB-CB 4.32Å; E181-R212 PolarHBondContact N-O 2.58Å; E181-R212 PolarHBondContact O-N 3.43Å; E181-R212 IonicContact OE1-CZ 2.7Å; E181-R212 IonicContact OE1-NH2 2.8Å; E181-R212 PolarHBondContact OE1-NH2 3.32Å; E181-R212 IonicContact OE2-CZ 3.76Å; E181-R212 IonicContact OE2-NE 3.39Å; E181-R212 PolarHBondContact OE2-NE 3.07Å; E181-R212 IonicContact OE2-NH2 2.92Å; E181-R212 PolarHBondContact OE2-NH2 3.41Å; R212-V228 WeakPolarHBondContact CA-O 3.2Å
213	V	96.5	Very high	82.5	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.9	172.3	-174.4	0	0	0	0	109.7	I158 Y178 R179 L180 I189 I195 S227 V228 V230	I158-V213 HydrophobicContact CD1-CB 3.7Å; I158-V213 HydrophobicContact CD1-CG1 3.25Å; I158-V213 HydrophobicContact CD1-CG2 4.11Å; Y178-V213 HydrophobicContact CD1-CG1 4.39Å; R179-V213 WeakPolarHBondContact O-CA 3.47Å; R179-V213 WeakPolarHBondContact O-CG1 3.34Å; L180-V213 HydrophobicContact CD1-CG2 4.08Å; L180-V213 HydrophobicContact CG-CG2 4.14Å; I189-V213 HydrophobicContact CD1-CG1 3.65Å; I189-V213 HydrophobicContact CD1-CG2 4.35Å; I195-V213 HydrophobicContact CD1-CG2 4.3Å; V213-S227 CarbonylContact O-C 3.57Å; V213-S227 WeakPolarHBondContact O-CA 3.06Å; V213-V228 HydrophobicContact CB-CG1 4.25Å; V213-V228 PolarHBondContact N-O 3.38Å; V213-V228 PolarHBondContact O-N 3.44Å; V213-V230 HydrophobicContact CB-CG2 4.29Å; V213-V230 HydrophobicContact CG2-CB 4.44Å; V213-V230 HydrophobicContact CG2-CG2 3.66Å
214	I	95	Very high	83.9	Confident	32 Å²	32	72.4 Å²	72.4	16%	0.164	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.9	-179.8	-58	169.8	0	0	0	107.6	Y178 R179 E216 R225 T226	Y178-I214 CarbonylContact C-O 3.47Å; Y178-I214 WeakPolarHBondContact CA-O 3.49Å; R179-I214 PolarHBondContact N-O 3.13Å; R179-I214 PolarHBondContact O-N 3.26Å; I214-E216 HydrophobicContact CG2-CG 4.14Å; I214-R225 HydrophobicContact CG2-CB 4.16Å; I214-T226 CarbonylContact C-O 3.5Å; I214-T226 VanDerWaalsContact CA-O 3.28Å; I214-T226 WeakPolarHBondContact CA-O 3.4Å
215	A	94.4	Very high	85.8	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	133.8	167.2	0	0	0	0	0	109	F136 A160 Y178 R225 T226	F136-A215 HydrophobicContact CE1-CB 4.21Å; F136-A215 HydrophobicContact CE2-CB 4.22Å; F136-A215 HydrophobicContact CZ-CB 3.67Å; A160-A215 HydrophobicContact CB-CB 3.57Å; Y178-A215 HydrophobicContact CD1-CB 3.84Å; Y178-A215 HydrophobicContact CE1-CB 3.74Å; A215-R225 WeakPolarHBondContact O-CA 3.46Å; A215-T226 HydrophobicContact CB-CG2 4.07Å; A215-T226 PolarHBondContact N-O 2.86Å; A215-T226 PolarHBondContact O-N 2.8Å; A215-T226 VanDerWaalsContact O-N 3.1Å
216	E	92.5	Very high	87.6	Confident	11 Å²	11	71 Å²	71	5%	0.051	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.2	176.5	-51.5	-166.2	167.6	0	0	109.3	C176 S177 R179 I214 P223 H224 R225	C176-E216 PolarHBondContact N-O 3.2Å; S177-E216 PolarHBondContact N-O 2.89Å; S177-E216 PolarHBondContact O-N 2.93Å; R179-E216 IonicContact CZ-OE1 3.75Å; R179-E216 IonicContact CZ-OE2 3.46Å; R179-E216 IonicContact NH1-OE1 3.82Å; R179-E216 PolarHBondContact NH1-OE1 2.89Å; R179-E216 IonicContact NH1-OE2 3.39Å; R179-E216 PolarHBondContact NH1-OE2 3.12Å; R179-E216 IonicContact NH2-OE2 2.72Å; I214-E216 HydrophobicContact CG2-CG 4.14Å; E216-P223 HydrophobicContact CB-CB 4.47Å; E216-H224 WeakPolarHBondContact CA-O 3.1Å; E216-R225 HydrophobicContact CG-CG 3.97Å; E216-R225 WeakPolarHBondContact OE1-CD 3.4Å; E216-R225 IonicContact OE1-CZ 3.59Å; E216-R225 IonicContact OE1-NE 3.4Å; E216-R225 PolarHBondContact OE1-NE 2.79Å; E216-R225 VanDerWaalsContact OE1-NE 3.16Å; E216-R225 IonicContact OE1-NH1 3.23Å; E216-R225 PolarHBondContact OE1-NH1 2.86Å; E216-R225 VanDerWaalsContact OE1-NH1 3.1Å; E216-R225 IonicContact OE1-NH2 3.98Å; E216-R225 IonicContact OE2-CZ 2.65Å; E216-R225 IonicContact OE2-NH2 3.28Å
217	D	90.4	Very high	89.2	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	176.8	171.5	73.7	3.4	0	0	0	111.8	P134 A174 S219 P223 H224	P134-D217 HydrophobicContact CG-CB 4.33Å; A174-D217 CarbonylContact O-C 3.11Å; A174-D217 VanDerWaalsContact O-CA 3.26Å; A174-D217 WeakPolarHBondContact O-CA 3.4Å; D217-S219 VanDerWaalsContact C-N 3.28Å; D217-S219 VanDerWaalsContact CG-OG 3.24Å; D217-S219 WeakPolarHBondContact OD1-CB 3.39Å; D217-S219 PolarHBondContact OD1-N 2.8Å; D217-S219 PolarHBondContact OD1-OG 3.11Å; D217-S219 WeakPolarHBondContact OD2-CB 3.26Å; D217-S219 PolarHBondContact OD2-OG 2.85Å; D217-P223 VanDerWaalsContact O-CB 3.3Å; D217-P223 WeakPolarHBondContact O-CB 3.4Å; D217-P223 WeakPolarHBondContact OD1-CA 3.43Å; D217-P223 WeakPolarHBondContact OD1-CB 3.44Å; D217-H224 PolarHBondContact N-O 2.71Å; D217-H224 VanDerWaalsContact N-O 3.1Å; D217-H224 PolarHBondContact OD1-N 3.08Å; D217-H224 WeakPolarHBondContact OD2-CB 3.36Å; D217-H224 IonicContact OD2-CG 2.68Å; D217-H224 IonicContact OD2-ND1 2.72Å; D217-H224 PolarHBondContact OD2-ND1 3.28Å
218	C	88.3	Confident	90.2	Very high	22 Å²	22	57.7 Å²	57.7	15%	0.149	30%	0.3	C	S	.	.			trans	-85.7	6.9	176	-64.9	0	0	0	0	113.3	S171 N172 A174 C176 R220	S171-C218 WeakPolarHBondContact O-CB 3.1Å; N172-C218 CarbonylContact O-C 3.58Å; N172-C218 WeakPolarHBondContact O-CA 3.47Å; N172-C218 WeakPolarHBondContact O-CB 3.48Å; N172-C218 PolarHBondContact O-N 3.2Å; A174-C218 PolarHBondContact O-N 3.47Å; A174-C218 PolarHBondContact O-SG 3.13Å; C176-C218 VanDerWaalsContact CA-SG 3.55Å; C176-C218 HydrophobicContact CB-CB 4.07Å; C176-C218 WeakPolarHBondContact CB-SG 3.25Å; C176-C218 WeakPolarHBondContact SG-CA 3.4Å; C176-C218 WeakPolarHBondContact SG-CB 3.19Å; C176-C218 CovalentContact SG-SG 2.04Å; C176-C218 PolarHBondContact SG-SG 3.07Å; C218-R220 WeakPolarHBondContact O-CG 3.36Å; C218-R220 PolarHBondContact O-N 3.03Å
219	S	84.3	Confident	90.8	Very high	16 Å²	16	57 Å²	57	11%	0.112	30%	0.296	C	S	.	.			trans	-61.8	135.7	-173.2	-69.1	0	0	0	0	111.3	N172 D217 V222 P223 H224	N172-S219 PolarHBondContact O-N 3.27Å; N172-S219 PolarHBondContact O-OG 3.12Å; D217-S219 VanDerWaalsContact C-N 3.28Å; D217-S219 VanDerWaalsContact CG-OG 3.24Å; D217-S219 WeakPolarHBondContact OD1-CB 3.39Å; D217-S219 PolarHBondContact OD1-N 2.8Å; D217-S219 PolarHBondContact OD1-OG 3.11Å; D217-S219 WeakPolarHBondContact OD2-CB 3.26Å; D217-S219 PolarHBondContact OD2-OG 2.85Å; S219-V222 CarbonylContact O-C 3.6Å; S219-V222 VanDerWaalsContact O-C 3.29Å; S219-P223 VanDerWaalsContact O-CA 3.28Å; S219-P223 WeakPolarHBondContact O-CA 3.39Å; S219-H224 PolarHBondContact OG-ND1 3.39Å
220	R	84.3	Confident	91.1	Very high	190 Å²	190	54.8 Å²	54.8	72%	0.717	29%	0.288	S	S	*	.	S	Bend	trans	-122.4	142.5	-179.4	-62.2	-57.6	179.4	163.1	0	111.1	C218	C218-R220 WeakPolarHBondContact O-CG 3.36Å; C218-R220 PolarHBondContact O-N 3.03Å
221	P	82.9	Confident	91.3	Very high	121 Å²	121	52.1 Å²	52.1	79%	0.786	27%	0.268	S	S	*	.	S	Bend	cis	-80.2	-23.5	5.7	30.9	-35.2	0	0	0	114.9
222	V	84.7	Confident	91.1	Very high	112 Å²	112	51.8 Å²	51.8	68%	0.679	27%	0.266	S	S	*	.	S	Bend	trans	-107.7	118.8	-178.8	-179.1	0	0	0	0	109.3	S219	S219-V222 CarbonylContact O-C 3.6Å; S219-V222 VanDerWaalsContact O-C 3.29Å
223	P	88.3	Confident	90.6	Very high	23 Å²	23	49.8 Å²	49.8	15%	0.149	26%	0.262	C	S	.	.			trans	-74.9	137.8	175.6	30	-34.1	0	0	0	110.8	E216 D217 S219	E216-P223 HydrophobicContact CB-CB 4.47Å; D217-P223 VanDerWaalsContact O-CB 3.3Å; D217-P223 WeakPolarHBondContact O-CB 3.4Å; D217-P223 WeakPolarHBondContact OD1-CA 3.43Å; D217-P223 WeakPolarHBondContact OD1-CB 3.44Å; S219-P223 VanDerWaalsContact O-CA 3.28Å; S219-P223 WeakPolarHBondContact O-CA 3.39Å
224	H	90.6	Very high	89.5	Confident	84 Å²	84	51 Å²	51	39%	0.389	27%	0.267	S	S	.	.			trans	-70.1	146.7	169	-55.9	101.4	0	0	0	109.8	E216 D217 S219	E216-H224 WeakPolarHBondContact CA-O 3.1Å; D217-H224 PolarHBondContact N-O 2.71Å; D217-H224 VanDerWaalsContact N-O 3.1Å; D217-H224 PolarHBondContact OD1-N 3.08Å; D217-H224 WeakPolarHBondContact OD2-CB 3.36Å; D217-H224 IonicContact OD2-CG 2.68Å; D217-H224 IonicContact OD2-ND1 2.72Å; D217-H224 PolarHBondContact OD2-ND1 3.28Å; S219-H224 PolarHBondContact OG-ND1 3.39Å
225	R	91.9	Very high	88.2	Confident	151 Å²	151	52.9 Å²	52.9	57%	0.57	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.5	137.7	-174.8	-49.3	-170.2	-174.8	-172.5	-3.7	110.5	I214 A215 E216	I214-R225 HydrophobicContact CG2-CB 4.16Å; A215-R225 WeakPolarHBondContact O-CA 3.46Å; E216-R225 HydrophobicContact CG-CG 3.97Å; E216-R225 WeakPolarHBondContact OE1-CD 3.4Å; E216-R225 IonicContact OE1-CZ 3.59Å; E216-R225 IonicContact OE1-NE 3.4Å; E216-R225 PolarHBondContact OE1-NE 2.79Å; E216-R225 VanDerWaalsContact OE1-NE 3.16Å; E216-R225 IonicContact OE1-NH1 3.23Å; E216-R225 PolarHBondContact OE1-NH1 2.86Å; E216-R225 VanDerWaalsContact OE1-NH1 3.1Å; E216-R225 IonicContact OE1-NH2 3.98Å; E216-R225 IonicContact OE2-CZ 2.65Å; E216-R225 IonicContact OE2-NH2 3.28Å
226	T	93	Very high	86.6	Confident	38 Å²	38	57.3 Å²	57.3	23%	0.233	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	157.3	168.9	-166.9	0	0	0	0	109.6	P134 F136 I214 A215	P134-T226 HydrophobicContact CB-CG2 3.98Å; P134-T226 HydrophobicContact CG-CG2 3.96Å; P134-T226 WeakPolarHBondContact O-CB 3.46Å; P134-T226 WeakPolarHBondContact O-CG2 3.42Å; P134-T226 PolarHBondContact O-OG1 3.18Å; F136-T226 HydrophobicContact CD2-CG2 3.68Å; F136-T226 HydrophobicContact CE2-CG2 3.57Å; F136-T226 HydrophobicContact CZ-CG2 4.42Å; I214-T226 CarbonylContact C-O 3.5Å; I214-T226 VanDerWaalsContact CA-O 3.28Å; I214-T226 WeakPolarHBondContact CA-O 3.4Å; A215-T226 HydrophobicContact CB-CG2 4.07Å; A215-T226 PolarHBondContact N-O 2.86Å; A215-T226 PolarHBondContact O-N 2.8Å; A215-T226 VanDerWaalsContact O-N 3.1Å
227	S	93.8	Very high	84.8	Confident	65 Å²	65	60.3 Å²	60.3	46%	0.455	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	138.9	-178.8	71.2	0	0	0	0	112.2	V213	V213-S227 CarbonylContact O-C 3.57Å; V213-S227 WeakPolarHBondContact O-CA 3.06Å
228	V	95.8	Very high	83.4	Confident	8 Å²	8	67.6 Å²	67.6	5%	0.048	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.5	178.3	67.2	0	0	0	0	110.6	F136 Y141 R212 V213 V230	F136-V228 HydrophobicContact CB-CB 4.39Å; F136-V228 HydrophobicContact CD1-CB 4.42Å; F136-V228 HydrophobicContact CD1-CG1 3.93Å; F136-V228 HydrophobicContact CD2-CB 3.48Å; F136-V228 VanDerWaalsContact CD2-CB 3.48Å; F136-V228 HydrophobicContact CD2-CG1 3.69Å; F136-V228 HydrophobicContact CD2-CG2 4.44Å; F136-V228 HydrophobicContact CE1-CG1 3.8Å; F136-V228 HydrophobicContact CE2-CB 3.68Å; F136-V228 HydrophobicContact CE2-CG1 3.5Å; F136-V228 VanDerWaalsContact CE2-CG1 3.5Å; F136-V228 HydrophobicContact CG-CB 3.86Å; F136-V228 HydrophobicContact CG-CG1 3.87Å; F136-V228 HydrophobicContact CG-CG2 4.45Å; F136-V228 HydrophobicContact CZ-CB 4.27Å; F136-V228 HydrophobicContact CZ-CG1 3.57Å; Y141-V228 HydrophobicContact CD2-CB 4.46Å; Y141-V228 HydrophobicContact CD2-CG1 3.92Å; Y141-V228 HydrophobicContact CD2-CG2 3.71Å; Y141-V228 HydrophobicContact CE2-CB 4.32Å; Y141-V228 HydrophobicContact CE2-CG1 3.79Å; Y141-V228 HydrophobicContact CE2-CG2 3.79Å; R212-V228 WeakPolarHBondContact CA-O 3.2Å; V213-V228 HydrophobicContact CB-CG1 4.25Å; V213-V228 PolarHBondContact N-O 3.38Å; V213-V228 PolarHBondContact O-N 3.44Å; V228-V230 HydrophobicContact CG1-CG2 4.19Å
229	S	95.3	Very high	82.4	Confident	56 Å²	56	67.5 Å²	67.5	39%	0.392	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.1	169	45.9	0	0	0	0	110.4	H140 Y141	H140-S229 WeakPolarHBondContact CA-O 3.35Å; H140-S229 WeakPolarHBondContact CB-OG 3.38Å; Y141-S229 PolarHBondContact N-O 2.85Å
230	V	95	Very high	82	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	114.6	174.2	-178.8	0	0	0	0	107.8	Y141 F143 I158 I195 L211 V213 V228 V232	Y141-V230 HydrophobicContact CD2-CG2 4.2Å; Y141-V230 CarbonylContact O-C 3.57Å; Y141-V230 VanDerWaalsContact O-CA 3.3Å; Y141-V230 WeakPolarHBondContact O-CA 3Å; F143-V230 HydrophobicContact CD2-CG1 3.56Å; F143-V230 HydrophobicContact CE2-CG1 3.7Å; I158-V230 HydrophobicContact CG2-CG2 4.37Å; I195-V230 HydrophobicContact CD1-CG1 4.02Å; L211-V230 HydrophobicContact CB-CB 4.31Å; L211-V230 PolarHBondContact N-O 3.44Å; L211-V230 PolarHBondContact O-N 3.05Å; V213-V230 HydrophobicContact CB-CG2 4.29Å; V213-V230 HydrophobicContact CG2-CB 4.44Å; V213-V230 HydrophobicContact CG2-CG2 3.66Å; V228-V230 HydrophobicContact CG1-CG2 4.19Å; V230-V232 HydrophobicContact CG1-CG2 4.34Å
231	T	91.9	Very high	81.9	Confident	37 Å²	37	67.7 Å²	67.7	23%	0.227	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.5	171.9	61.7	0	0	0	0	109.5	Y141 N142 F143 Y209	Y141-T231 PolarHBondContact O-N 2.04Å; N142-T231 WeakPolarHBondContact CA-O 3.21Å; N142-T231 VanDerWaalsContact CG-OG1 3.25Å; N142-T231 PolarHBondContact OD1-OG1 3.32Å; F143-T231 PolarHBondContact N-O 3.17Å; Y209-T231 CarbonylContact O-C 3.53Å; Y209-T231 WeakPolarHBondContact O-CA 3.41Å
232	V	89.1	Confident	82.2	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	98.7	173.9	-173	0	0	0	0	108	F143 L145 V155 F187 P208 Y209 L211 V230 Q234	F143-V232 WeakPolarHBondContact O-CA 3.23Å; L145-V232 HydrophobicContact CB-CG1 3.82Å; L145-V232 HydrophobicContact CD2-CG1 4.07Å; V155-V232 HydrophobicContact CG1-CB 4.42Å; V155-V232 HydrophobicContact CG1-CG1 3.65Å; V155-V232 HydrophobicContact CG1-CG2 3.84Å; F187-V232 HydrophobicContact CE1-CG1 4.46Å; F187-V232 HydrophobicContact CE2-CG2 4.44Å; F187-V232 HydrophobicContact CZ-CB 4.32Å; F187-V232 HydrophobicContact CZ-CG1 4Å; F187-V232 HydrophobicContact CZ-CG2 4.47Å; P208-V232 CarbonylContact C-O 3.58Å; P208-V232 VanDerWaalsContact CA-O 3.27Å; P208-V232 WeakPolarHBondContact CA-O 3.42Å; Y209-V232 HydrophobicContact CD2-CB 4.44Å; Y209-V232 PolarHBondContact N-O 2.72Å; Y209-V232 PolarHBondContact O-N 2.84Å; L211-V232 HydrophobicContact CD1-CG2 3.88Å; V230-V232 HydrophobicContact CG1-CG2 4.34Å; V232-Q234 PolarHBondContact O-N 3.13Å
233	E	83.9	Confident	82.5	Confident	76 Å²	76	58.4 Å²	58.4	36%	0.355	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	116.6	172.3	-72	178.2	179.4	0	0	109.2	F143 K144 L145 P208 I235	F143-E233 PolarHBondContact O-N 2.97Å; K144-E233 WeakPolarHBondContact CA-O 3.5Å; K144-E233 WeakPolarHBondContact CE-OE2 3.42Å; K144-E233 HydrophobicContact CG-CB 4.35Å; K144-E233 IonicContact NZ-OE2 2.77Å; K144-E233 PolarHBondContact NZ-OE2 3.03Å; L145-E233 PolarHBondContact N-O 3.33Å; P208-E233 HydrophobicContact CB-CG 4.12Å; E233-I235 PolarHBondContact O-N 2.92Å
234	Q	75	Confident	82.6	Confident	24 Å²	24	60.5 Å²	60.5	11%	0.112	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	109.7	161.7	-74.1	-167.9	-15.3	0	0	108.3	L145 Y209 V232 L236	L145-Q234 CarbonylContact O-C 3.56Å; L145-Q234 WeakPolarHBondContact O-CA 3.44Å; Y209-Q234 HydrophobicContact CD2-CG 4.44Å; Y209-Q234 HydrophobicContact CE2-CG 3.84Å; Y209-Q234 PolarHBondContact OH-NE2 3.12Å; V232-Q234 PolarHBondContact O-N 3.13Å; Q234-L236 PolarHBondContact O-N 2.86Å
235	I	67.9	Low	82.6	Confident	72 Å²	72	61.2 Å²	61.2	37%	0.369	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	125.6	162.9	-46.8	-177.8	0	0	0	106.6	K144 L145 Q147 E233 I237	K144-I235 HydrophobicContact CB-CD1 3.81Å; K144-I235 HydrophobicContact CB-CG1 3.95Å; K144-I235 HydrophobicContact CD-CD1 3.82Å; K144-I235 HydrophobicContact CD-CG1 4.15Å; K144-I235 HydrophobicContact CG-CD1 4.42Å; L145-I235 PolarHBondContact O-N 3.13Å; Q147-I235 PolarHBondContact N-O 3.44Å; E233-I235 PolarHBondContact O-N 2.92Å; I235-I237 HydrophobicContact CB-CG1 4.13Å; I235-I237 HydrophobicContact CG2-CG1 4.33Å; I235-I237 PolarHBondContact O-N 3.02Å
236	L	59.6	Low	82.6	Confident	93 Å²	93	55.6 Å²	55.6	49%	0.487	30%	0.298	S	S	.	.			trans	-69.9	84.8	157.7	-159.5	154.7	0	0	0	105.8	Q234 D238	Q234-L236 PolarHBondContact O-N 2.86Å; L236-D238 PolarHBondContact O-N 3.2Å
237	I	54.7	Low	82.6	Confident	75 Å²	75	55.4 Å²	55.4	39%	0.385	30%	0.298	S	S	.	.			trans	-70.1	122.1	-176.1	-33.9	173.3	0	0	0	107.2	I235 C239	I235-I237 HydrophobicContact CB-CG1 4.13Å; I235-I237 HydrophobicContact CG2-CG1 4.33Å; I235-I237 PolarHBondContact O-N 3.02Å; I237-C239 HydrophobicContact CB-CB 3.77Å; I237-C239 HydrophobicContact CG2-CB 3.35Å; I237-C239 PolarHBondContact O-N 3.22Å
238	D	61	Low	82.4	Confident	157 Å²	157	56.2 Å²	56.2	84%	0.84	30%	0.303	S	S	*	.			trans	-68.9	30	164.3	-69.9	-42.3	0	0	0	112.1	L236	L236-D238 PolarHBondContact O-N 3.2Å
239	C	68	Low	82.3	Confident	20 Å²	20	59 Å²	59	14%	0.135	32%	0.318	C	S	.	.			trans	-84.9	120.6	178.3	-179.5	0	0	0	0	109	I237 E271 C273	I237-C239 HydrophobicContact CB-CB 3.77Å; I237-C239 HydrophobicContact CG2-CB 3.35Å; I237-C239 PolarHBondContact O-N 3.22Å; C239-E271 WeakPolarHBondContact SG-CG 3.48Å; C239-E271 PolarHBondContact SG-OE2 2.78Å; C239-E271 VanDerWaalsContact SG-OE2 3.33Å; C239-C273 HydrophobicContact CB-CB 3.93Å; C239-C273 WeakPolarHBondContact CB-SG 3.46Å; C239-C273 PolarHBondContact O-SG 3.32Å; C239-C273 VanDerWaalsContact O-SG 3.34Å; C239-C273 WeakPolarHBondContact SG-CA 3.35Å; C239-C273 WeakPolarHBondContact SG-CB 3.43Å; C239-C273 CovalentContact SG-SG 2.02Å; C239-C273 PolarHBondContact SG-SG 3.34Å
240	K	75.4	Confident	82.1	Confident	166 Å²	166	57.3 Å²	57.3	72%	0.722	30%	0.304	S	S	*	.			trans	-101.1	114.2	170.7	-68.6	178.7	-178.9	176.3	0	107	G242 K244 C273	K240-G242 PolarHBondContact O-N 2.89Å; K240-K244 PolarHBondContact O-NZ 3.45Å; K240-C273 VanDerWaalsContact C-SG 3.59Å
241	P	82.8	Confident	81.8	Confident	43 Å²	43	64.2 Å²	64.2	28%	0.279	34%	0.337	S	S	.	.			trans	-62.4	132.1	-178.7	26.1	-33.2	0	0	0	108.8	E271 C273 P661	P241-E271 CarbonylContact C-O 3.56Å; P241-E271 VanDerWaalsContact CA-O 3.26Å; P241-E271 WeakPolarHBondContact CA-O 3.33Å; P241-C273 VanDerWaalsContact CA-SG 3.58Å; P241-C273 VanDerWaalsContact CD-SG 3.59Å; P241-P661 WeakPolarHBondContact O-CD 3.48Å
242	G	88.4	Confident	81.6	Confident	13 Å²	13	62.8 Å²	62.8	13%	0.134	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.1	169.3	-173.7	0	0	0	0	0	114	K240 E271	K240-G242 PolarHBondContact O-N 2.89Å; G242-E271 PolarHBondContact N-O 2.82Å; G242-E271 PolarHBondContact O-N 2.83Å; G242-E271 VanDerWaalsContact O-N 3.1Å
243	W	92	Very high	81.1	Confident	25 Å²	25	68.2 Å²	68.2	10%	0.095	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	126	175.4	-68.6	98.9	0	0	0	111.4	L246 L268 L270 A284 L614 T615 L618 L646 T648	W243-L246 HydrophobicContact CB-CB 3.98Å; W243-L246 HydrophobicContact CB-CD2 3.95Å; W243-L246 HydrophobicContact CB-CG 4.45Å; W243-L246 HydrophobicContact CG-CD2 4.46Å; W243-L268 HydrophobicContact CE3-CB 4.35Å; W243-L268 HydrophobicContact CZ3-CB 4.38Å; W243-L270 HydrophobicContact CD2-CD1 3.79Å; W243-L270 HydrophobicContact CE3-CB 4.07Å; W243-L270 HydrophobicContact CE3-CD1 4.19Å; W243-L270 HydrophobicContact CG-CD1 4.24Å; W243-L270 HydrophobicContact CH2-CB 3.88Å; W243-L270 HydrophobicContact CH2-CD1 4.2Å; W243-L270 HydrophobicContact CH2-CD2 4.35Å; W243-L270 HydrophobicContact CH2-CG 4.37Å; W243-L270 HydrophobicContact CZ2-CB 4.37Å; W243-L270 HydrophobicContact CZ2-CD1 3.82Å; W243-L270 HydrophobicContact CZ2-CD2 4.29Å; W243-L270 HydrophobicContact CZ2-CG 4.39Å; W243-L270 HydrophobicContact CZ3-CB 3.72Å; W243-L270 HydrophobicContact CZ3-CD1 4.37Å; W243-A284 HydrophobicContact CZ2-CB 4.5Å; W243-L614 HydrophobicContact CH2-CD2 3.61Å; W243-L614 HydrophobicContact CZ2-CD2 4Å; W243-T615 HydrophobicContact CH2-CG2 4.27Å; W243-T615 HydrophobicContact CZ3-CG2 3.7Å; W243-L618 HydrophobicContact CH2-CD1 3.35Å; W243-L618 HydrophobicContact CZ2-CD1 3.52Å; W243-L618 HydrophobicContact CZ3-CD1 4.05Å; W243-L646 HydrophobicContact CD2-CD2 4.08Å; W243-L646 HydrophobicContact CG-CD2 3.98Å; W243-L646 HydrophobicContact CZ2-CD2 4.44Å; W243-T648 HydrophobicContact CZ2-CG2 4.28Å; W243-T648 PolarHBondContact NE1-OG1 3Å
244	K	89.8	Confident	80.6	Confident	68 Å²	68	65.7 Å²	65.7	30%	0.296	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	152	168.4	-51.1	-50.7	-172.6	-154.9	0	110.1	K240 L246 H269 E271	K240-K244 PolarHBondContact O-NZ 3.45Å; K244-L246 PolarHBondContact O-N 3.27Å; K244-H269 HydrophobicContact CB-CB 4.33Å; K244-H269 PolarHBondContact N-O 3.34Å; K244-H269 PolarHBondContact O-N 2.02Å; K244-E271 WeakPolarHBondContact CE-OE2 3.44Å; K244-E271 HydrophobicContact CG-CB 4.37Å; K244-E271 IonicContact NZ-OE2 3.78Å; K244-E271 PolarHBondContact NZ-OE2 2.9Å
245	N	91	Very high	80.5	Confident	99 Å²	99	66.5 Å²	66.5	53%	0.529	36%	0.358	S	S	.	.	S	Bend	trans	58	15	179.8	-46.1	-37.9	0	0	0	114.6	S267	N245-S267 WeakPolarHBondContact CB-O 3.01Å; N245-S267 PolarHBondContact ND2-O 3.44Å; N245-S267 PolarHBondContact ND2-OG 3.22Å
246	L	91.7	Very high	80.6	Confident	32 Å²	32	65.9 Å²	65.9	17%	0.168	35%	0.354	C	S	.	.			trans	-74	127.2	168.8	-167.3	75.5	0	0	0	108.3	W243 K244 F263 L268 L646 A663 I665	W243-L246 HydrophobicContact CB-CB 3.98Å; W243-L246 HydrophobicContact CB-CD2 3.95Å; W243-L246 HydrophobicContact CB-CG 4.45Å; W243-L246 HydrophobicContact CG-CD2 4.46Å; K244-L246 PolarHBondContact O-N 3.27Å; L246-F263 HydrophobicContact CD1-CD1 4.23Å; L246-F263 HydrophobicContact CD1-CE1 3.77Å; L246-F263 HydrophobicContact CD1-CZ 4.22Å; L246-L268 HydrophobicContact CB-CD2 4.17Å; L246-L268 HydrophobicContact CD1-CD1 4.44Å; L246-L268 HydrophobicContact CD1-CD2 3.63Å; L246-L646 HydrophobicContact CD1-CD2 4.25Å; L246-L646 HydrophobicContact CD2-CD2 4.29Å; L246-A663 HydrophobicContact CD2-CB 3.34Å; L246-I665 HydrophobicContact CD1-CD1 3.77Å; L246-I665 HydrophobicContact CD2-CD1 3.85Å; L246-I665 HydrophobicContact CD2-CG1 4.21Å; L246-I665 HydrophobicContact CG-CD1 3.67Å; L246-I665 HydrophobicContact CG-CG1 4.35Å
247	P	92.5	Very high	81.5	Confident	35 Å²	35	67 Å²	67	23%	0.227	36%	0.357	C	S	.	.			trans	-67.2	148.8	177.3	28.4	-34.1	0	0	0	110.7	I250 F263 I665	P247-I250 HydrophobicContact CB-CG1 4.18Å; P247-I250 HydrophobicContact CG-CD1 3.93Å; P247-I250 HydrophobicContact CG-CG1 3.77Å; P247-F263 HydrophobicContact CG-CD1 4.09Å; P247-F263 HydrophobicContact CG-CE1 4.15Å; P247-I665 WeakPolarHBondContact O-CG1 3.36Å; P247-I665 VanDerWaalsContact O-CG2 3.3Å; P247-I665 WeakPolarHBondContact O-CG2 3.3Å
248	S	90.7	Very high	83	Confident	81 Å²	81	70.1 Å²	70.1	57%	0.566	37%	0.367	S	S	*	.	S	Bend	trans	-84.1	-28	172.1	59.9	0	0	0	0	112.8	I665 R666	S248-I665 CarbonylContact O-C 3.56Å; S248-I665 VanDerWaalsContact O-CA 3.32Å; S248-I665 WeakPolarHBondContact O-CA 3.28Å; S248-R666 PolarHBondContact O-N 2.79Å
249	D	91.9	Very high	84.3	Confident	66 Å²	66	63.3 Å²	63.3	35%	0.353	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	137	-176.7	-50.6	-98.5	0	0	0	107.8	R666	D249-R666 CarbonylContact C-O 3.46Å; D249-R666 VanDerWaalsContact CA-O 3.29Å; D249-R666 WeakPolarHBondContact CA-O 3.11Å; D249-R666 HydrophobicContact CB-CB 4.36Å; D249-R666 WeakPolarHBondContact OD1-CB 3.21Å; D249-R666 VanDerWaalsContact OD1-CD 3.29Å; D249-R666 WeakPolarHBondContact OD1-CD 3.43Å; D249-R666 WeakPolarHBondContact OD1-CG 3.36Å; D249-R666 IonicContact OD1-CZ 3.65Å; D249-R666 IonicContact OD1-NE 3.28Å; D249-R666 IonicContact OD1-NH1 3.62Å; D249-R666 PolarHBondContact OD1-NH1 3.31Å; D249-R666 IonicContact OD2-NH1 3.17Å
250	I	92.8	Very high	85.2	Confident	22 Å²	22	66.2 Å²	66.2	11%	0.113	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122	178.5	-63	170.2	0	0	0	107.4	P247 L262 F263 L644 I665 R666 L667 N668	P247-I250 HydrophobicContact CB-CG1 4.18Å; P247-I250 HydrophobicContact CG-CD1 3.93Å; P247-I250 HydrophobicContact CG-CG1 3.77Å; I250-L262 HydrophobicContact CD1-CB 4.43Å; I250-L262 HydrophobicContact CD1-CD2 4.3Å; I250-F263 HydrophobicContact CD1-CD1 4.39Å; I250-F263 HydrophobicContact CD1-CE1 3.97Å; I250-L644 HydrophobicContact CD1-CD1 4.24Å; I250-I665 HydrophobicContact CD1-CG2 3.9Å; I250-I665 HydrophobicContact CG1-CG2 3.93Å; I250-R666 PolarHBondContact N-O 3.15Å; I250-L667 HydrophobicContact CB-CD1 4.05Å; I250-L667 HydrophobicContact CG2-CD1 3.84Å; I250-N668 PolarHBondContact O-N 3.03Å
251	E	88	Confident	86	Confident	145 Å²	145	62.8 Å²	62.8	68%	0.678	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.7	167.4	-66.2	-173	170	0	0	109	L670	E251-L670 HydrophobicContact CB-CD1 4.43Å
252	F	87.9	Confident	86.5	Confident	6 Å²	6	61.3 Å²	61.3	3%	0.026	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	106.8	-175.2	-173	-88.6	0	0	0	110	E260 Y623 R625 L667 N668 V669 L670	F252-E260 HydrophobicContact CE2-CB 3.79Å; F252-E260 HydrophobicContact CE2-CG 4.25Å; F252-E260 HydrophobicContact CZ-CB 4.17Å; F252-Y623 AromaticContact CD1-CD1 3.74Å; F252-Y623 HydrophobicContact CD1-CD1 3.74Å; F252-Y623 AromaticContact CD1-CE1 3.94Å; F252-Y623 HydrophobicContact CD1-CE1 3.94Å; F252-Y623 HydrophobicContact CD2-CD1 4.01Å; F252-Y623 AromaticContact CE1-CD1 3.49Å; F252-Y623 HydrophobicContact CE1-CD1 3.49Å; F252-Y623 VanDerWaalsContact CE1-CD1 3.49Å; F252-Y623 AromaticContact CE1-CE1 3.85Å; F252-Y623 HydrophobicContact CE1-CE1 3.85Å; F252-Y623 AromaticContact CE2-CD1 3.78Å; F252-Y623 HydrophobicContact CE2-CD1 3.78Å; F252-Y623 HydrophobicContact CE2-CG 4.42Å; F252-Y623 AromaticContact CG-CD1 3.99Å; F252-Y623 HydrophobicContact CG-CD1 3.99Å; F252-Y623 HydrophobicContact CG-CE1 4.48Å; F252-Y623 AromaticContact CZ-CD1 3.52Å; F252-Y623 HydrophobicContact CZ-CD1 3.52Å; F252-Y623 HydrophobicContact CZ-CE1 4.33Å; F252-Y623 HydrophobicContact CZ-CG 4.33Å; F252-Y623 WeakPolarHBondContact CZ-O 3.48Å; F252-R625 HydrophobicContact CE1-CB 4.26Å; F252-R625 HydrophobicContact CE1-CG 4.31Å; F252-L667 HydrophobicContact CB-CD1 3.72Å; F252-L667 HydrophobicContact CD2-CD1 4.45Å; F252-L667 HydrophobicContact CG-CD1 4.31Å; F252-N668 PolarHBondContact N-O 2.77Å; F252-V669 HydrophobicContact CD1-CG1 4.23Å; F252-L670 PolarHBondContact O-N 3.3Å
253	L	79.1	Confident	86.7	Confident	115 Å²	115	60.9 Å²	60.9	60%	0.602	31%	0.31	S	S	*	.			trans	-75.8	-45.1	165	-69.6	90.3	0	0	0	109.5	R625 L670	L253-R625 PolarHBondContact O-NH1 3.45Å; L253-L670 HydrophobicContact CD1-CD1 4.03Å; L253-L670 HydrophobicContact CG-CD1 4.04Å
254	G	72.7	Confident	86.3	Confident	23 Å²	23	65 Å²	65	24%	0.237	33%	0.332	C	S	.	.			trans	75.8	162.8	-172.4	0	0	0	0	0	112.6	E260	G254-E260 WeakPolarHBondContact CA-OE2 3.02Å; G254-E260 PolarHBondContact N-OE2 2.98Å
255	S	73.7	Confident	86	Confident	41 Å²	41	70.1 Å²	70.1	29%	0.287	36%	0.356	S	S	.	.			trans	-115.4	151	174.1	-178.6	0	0	0	0	110.6	E257 K258 F318 Q627	S255-E257 VanDerWaalsContact C-N 3.35Å; S255-E257 PolarHBondContact OG-N 2.72Å; S255-K258 WeakPolarHBondContact CB-O 3.18Å; S255-F318 WeakPolarHBondContact O-CE2 3.42Å; S255-Q627 PolarHBondContact O-NE2 2.74Å; S255-Q627 VanDerWaalsContact O-NE2 3.15Å
256	E	69.2	Low	85.8	Confident	59 Å²	59	66.6 Å²	66.6	28%	0.276	34%	0.339	S	S	.	.	S	Bend	trans	-84.4	-14.2	168.5	-59.3	176.8	150.1	0	0	111.7	T680	E256-T680 WeakPolarHBondContact OE1-CG2 3.38Å; E256-T680 WeakPolarHBondContact OE2-CG2 3.44Å
257	E	77.9	Confident	85.6	Confident	117 Å²	117	69.2 Å²	69.2	55%	0.547	36%	0.36	S	S	.	.	S	Bend	trans	-92.9	-28.4	-176.1	-57.9	-156	119.8	0	0	113.7	S255 K317 F318	S255-E257 VanDerWaalsContact C-N 3.35Å; S255-E257 PolarHBondContact OG-N 2.72Å; E257-K317 IonicContact OE1-NZ 2.8Å; E257-K317 PolarHBondContact OE1-NZ 2.83Å; E257-F318 WeakPolarHBondContact O-CA 3.3Å
258	K	85.8	Confident	85.5	Confident	140 Å²	140	68.2 Å²	68.2	61%	0.609	35%	0.353	S	S	*	.	S	Bend	trans	-164	153.5	176.5	60.6	-176.8	-179.7	-179	0	113.5	S255 E260 F318	S255-K258 WeakPolarHBondContact CB-O 3.18Å; K258-E260 PolarHBondContact O-N 3.08Å; K258-F318 WeakPolarHBondContact CA-O 3.44Å
259	P	88.7	Confident	85.5	Confident	14 Å²	14	69.5 Å²	69.5	9%	0.091	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-54	131	167.2	-26.4	30.8	0	0	0	112.5	F318 L583 S622	P259-F318 HydrophobicContact CB-CZ 4.21Å; P259-F318 WeakPolarHBondContact CD-O 3.33Å; P259-F318 HydrophobicContact CG-CD1 4.39Å; P259-F318 HydrophobicContact CG-CE1 3.76Å; P259-F318 HydrophobicContact CG-CE2 4.08Å; P259-F318 HydrophobicContact CG-CZ 3.59Å; P259-L583 HydrophobicContact CB-CD1 3.86Å; P259-L583 HydrophobicContact CB-CD2 4.44Å; P259-L583 HydrophobicContact CB-CG 4.43Å; P259-L583 HydrophobicContact CG-CD1 3.86Å; P259-L583 HydrophobicContact CG-CD2 3.99Å; P259-L583 HydrophobicContact CG-CG 4.41Å; P259-S622 PolarHBondContact O-OG 3.09Å
260	E	88.2	Confident	85.4	Confident	81 Å²	81	66.9 Å²	66.9	38%	0.379	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.7	-179.5	177.7	172.2	-154.3	0	0	110.7	F252 G254 K258 L262 S622 Y623	F252-E260 HydrophobicContact CE2-CB 3.79Å; F252-E260 HydrophobicContact CE2-CG 4.25Å; F252-E260 HydrophobicContact CZ-CB 4.17Å; G254-E260 WeakPolarHBondContact CA-OE2 3.02Å; G254-E260 PolarHBondContact N-OE2 2.98Å; K258-E260 PolarHBondContact O-N 3.08Å; E260-L262 PolarHBondContact O-N 3.24Å; E260-S622 WeakPolarHBondContact O-CA 3.44Å; E260-S622 VanDerWaalsContact O-CB 3.3Å; E260-S622 WeakPolarHBondContact O-CB 3.37Å; E260-S622 PolarHBondContact O-OG 2.9Å; E260-Y623 PolarHBondContact O-N 3.04Å; E260-Y623 VanDerWaalsContact O-N 3.08Å
261	R	91.7	Very high	85.1	Confident	93 Å²	93	68.8 Å²	68.8	35%	0.351	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	122.6	-177	-73.3	-179.4	-176.6	-173	1.7	110.4	F263 M264 I621 S622	R261-F263 PolarHBondContact O-N 3.19Å; R261-M264 HydrophobicContact CB-CB 4.07Å; R261-M264 PolarHBondContact O-N 2.69Å; R261-I621 CarbonylContact C-O 3.56Å; R261-I621 WeakPolarHBondContact CA-O 3.08Å; R261-S622 WeakPolarHBondContact CA-OG 3.11Å; R261-S622 WeakPolarHBondContact CG-OG 3.28Å; R261-S622 PolarHBondContact N-OG 2.79Å
262	L	92.9	Very high	84.7	Confident	13 Å²	13	63.2 Å²	63.2	7%	0.068	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-31.4	-175.3	-75.9	170.9	0	0	0	113.5	I250 E260 L286 L582 I621 L644 L667	I250-L262 HydrophobicContact CD1-CB 4.43Å; I250-L262 HydrophobicContact CD1-CD2 4.3Å; E260-L262 PolarHBondContact O-N 3.24Å; L262-L286 HydrophobicContact CD1-CD2 4.46Å; L262-L582 HydrophobicContact CD1-CD2 3.86Å; L262-I621 HydrophobicContact CD1-CG2 4.28Å; L262-I621 PolarHBondContact N-O 3.45Å; L262-L644 HydrophobicContact CD1-CD1 3.82Å; L262-L644 HydrophobicContact CD1-CD2 4.17Å; L262-L644 HydrophobicContact CD2-CD1 4.12Å; L262-L667 HydrophobicContact CD2-CD1 3.81Å; L262-L667 HydrophobicContact CD2-CD2 4.24Å
263	F	92.2	Very high	84.2	Confident	3 Å²	3	64 Å²	64	1%	0.013	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	24.1	-172.8	-53.8	-64.1	0	0	0	112.8	L246 P247 I250 R261 H265 S266 L268 L286 L618 T619 I665	L246-F263 HydrophobicContact CD1-CD1 4.23Å; L246-F263 HydrophobicContact CD1-CE1 3.77Å; L246-F263 HydrophobicContact CD1-CZ 4.22Å; P247-F263 HydrophobicContact CG-CD1 4.09Å; P247-F263 HydrophobicContact CG-CE1 4.15Å; I250-F263 HydrophobicContact CD1-CD1 4.39Å; I250-F263 HydrophobicContact CD1-CE1 3.97Å; R261-F263 PolarHBondContact O-N 3.19Å; F263-H265 PolarHBondContact O-N 3.32Å; F263-S266 PolarHBondContact O-N 2.89Å; F263-L268 HydrophobicContact CB-CD1 4.21Å; F263-L268 HydrophobicContact CD2-CD1 4.38Å; F263-L268 HydrophobicContact CG-CD1 4.17Å; F263-L286 HydrophobicContact CE2-CD2 4.1Å; F263-L618 WeakPolarHBondContact CD2-O 3.17Å; F263-T619 HydrophobicContact CB-CG2 4.4Å; F263-I665 HydrophobicContact CE1-CD1 3.58Å; F263-I665 HydrophobicContact CZ-CD1 3.79Å
264	M	83.7	Confident	83.7	Confident	113 Å²	113	59.5 Å²	59.5	56%	0.557	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-32.1	-177.6	-179.1	174.2	-93.8	0	0	113.9	R261	R261-M264 HydrophobicContact CB-CB 4.07Å; R261-M264 PolarHBondContact O-N 2.69Å
265	H	83.1	Confident	83.5	Confident	175 Å²	175	59.6 Å²	59.6	81%	0.81	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	15	-177.6	-57.4	-42	0	0	0	113.2	F263	F263-H265 PolarHBondContact O-N 3.32Å
266	S	87	Confident	83.4	Confident	24 Å²	24	61.7 Å²	61.7	17%	0.168	32%	0.317	C	S	.	.			trans	-113.9	114.6	-174.4	-55.9	0	0	0	0	111.5	F263 L268	F263-S266 PolarHBondContact O-N 2.89Å; S266-L268 PolarHBondContact O-N 2.85Å
267	S	87.9	Confident	83.7	Confident	87 Å²	87	60.1 Å²	60.1	61%	0.608	31%	0.312	S	S	*	.			trans	-78.6	67.8	170.9	49.6	0	0	0	0	110.8	N245 H269	N245-S267 WeakPolarHBondContact CB-O 3.01Å; N245-S267 PolarHBondContact ND2-O 3.44Å; N245-S267 PolarHBondContact ND2-OG 3.22Å; S267-H269 PolarHBondContact O-N 3Å
268	L	91.4	Very high	83.5	Confident	14 Å²	14	56.1 Å²	56.1	7%	0.073	30%	0.299	C	S	.	.			trans	-56.1	134.3	-176.1	-59.4	-174.2	0	0	0	111.2	W243 L246 F263 S266 T615 L618 T619	W243-L268 HydrophobicContact CE3-CB 4.35Å; W243-L268 HydrophobicContact CZ3-CB 4.38Å; L246-L268 HydrophobicContact CB-CD2 4.17Å; L246-L268 HydrophobicContact CD1-CD1 4.44Å; L246-L268 HydrophobicContact CD1-CD2 3.63Å; F263-L268 HydrophobicContact CB-CD1 4.21Å; F263-L268 HydrophobicContact CD2-CD1 4.38Å; F263-L268 HydrophobicContact CG-CD1 4.17Å; S266-L268 PolarHBondContact O-N 2.85Å; L268-T615 HydrophobicContact CB-CG2 4.07Å; L268-T615 WeakPolarHBondContact O-CG2 3.48Å; L268-L618 HydrophobicContact CD1-CB 4.15Å; L268-T619 HydrophobicContact CB-CG2 4.36Å; L268-T619 HydrophobicContact CD1-CG2 3.84Å; L268-T619 HydrophobicContact CG-CG2 3.92Å
269	H	89.6	Confident	83.2	Confident	108 Å²	108	55.1 Å²	55.1	50%	0.5	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	127	174.7	177.6	74.1	0	0	0	110.4	K244 S267 E271	K244-H269 HydrophobicContact CB-CB 4.33Å; K244-H269 PolarHBondContact N-O 3.34Å; K244-H269 PolarHBondContact O-N 2.02Å; S267-H269 PolarHBondContact O-N 3Å; H269-E271 PolarHBondContact O-N 3.5Å
270	L	89.8	Confident	83.1	Confident	11 Å²	11	56 Å²	56	6%	0.058	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	107.1	179.3	-174.3	62.9	0	0	0	110.9	W243 T272 I282 T611 T648 I660	W243-L270 HydrophobicContact CD2-CD1 3.79Å; W243-L270 HydrophobicContact CE3-CB 4.07Å; W243-L270 HydrophobicContact CE3-CD1 4.19Å; W243-L270 HydrophobicContact CG-CD1 4.24Å; W243-L270 HydrophobicContact CH2-CB 3.88Å; W243-L270 HydrophobicContact CH2-CD1 4.2Å; W243-L270 HydrophobicContact CH2-CD2 4.35Å; W243-L270 HydrophobicContact CH2-CG 4.37Å; W243-L270 HydrophobicContact CZ2-CB 4.37Å; W243-L270 HydrophobicContact CZ2-CD1 3.82Å; W243-L270 HydrophobicContact CZ2-CD2 4.29Å; W243-L270 HydrophobicContact CZ2-CG 4.39Å; W243-L270 HydrophobicContact CZ3-CB 3.72Å; W243-L270 HydrophobicContact CZ3-CD1 4.37Å; L270-T272 HydrophobicContact CD2-CG2 3.99Å; L270-T272 HydrophobicContact CG-CG2 3.95Å; L270-I282 HydrophobicContact CD2-CD1 4.48Å; L270-I282 HydrophobicContact CD2-CG2 3.9Å; L270-T611 HydrophobicContact CD2-CG2 4.49Å; L270-T648 HydrophobicContact CD2-CG2 4.36Å; L270-I660 HydrophobicContact CD1-CD1 3.67Å; L270-I660 HydrophobicContact CD2-CD1 4.24Å; L270-I660 HydrophobicContact CG-CD1 4.26Å
271	E	85.7	Confident	83.2	Confident	63 Å²	63	56.2 Å²	56.2	29%	0.294	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	107.5	170.8	-165.4	-176.7	-134.8	0	0	109.2	C239 P241 G242 K244 H269	C239-E271 WeakPolarHBondContact SG-CG 3.48Å; C239-E271 PolarHBondContact SG-OE2 2.78Å; C239-E271 VanDerWaalsContact SG-OE2 3.33Å; P241-E271 CarbonylContact C-O 3.56Å; P241-E271 VanDerWaalsContact CA-O 3.26Å; P241-E271 WeakPolarHBondContact CA-O 3.33Å; G242-E271 PolarHBondContact N-O 2.82Å; G242-E271 PolarHBondContact O-N 2.83Å; G242-E271 VanDerWaalsContact O-N 3.1Å; K244-E271 WeakPolarHBondContact CE-OE2 3.44Å; K244-E271 HydrophobicContact CG-CB 4.37Å; K244-E271 IonicContact NZ-OE2 3.78Å; K244-E271 PolarHBondContact NZ-OE2 2.9Å; H269-E271 PolarHBondContact O-N 3.5Å
272	T	81.1	Confident	83.3	Confident	28 Å²	28	51.9 Å²	51.9	17%	0.172	29%	0.289	C	S	.	.			trans	-87.3	-15	-177.3	61	0	0	0	0	113.7	L270 T274 Y650 I660	L270-T272 HydrophobicContact CD2-CG2 3.99Å; L270-T272 HydrophobicContact CG-CG2 3.95Å; T272-T274 PolarHBondContact O-N 3.17Å; T272-T274 PolarHBondContact OG1-N 3.02Å; T272-T274 PolarHBondContact OG1-OG1 3Å; T272-Y650 HydrophobicContact CG2-CD1 4.27Å; T272-Y650 HydrophobicContact CG2-CD2 3.72Å; T272-Y650 HydrophobicContact CG2-CE1 4.3Å; T272-Y650 HydrophobicContact CG2-CE2 3.78Å; T272-Y650 HydrophobicContact CG2-CG 3.98Å; T272-I660 HydrophobicContact CG2-CD1 4.43Å
273	C	77	Confident	83.3	Confident	22 Å²	22	54.9 Å²	54.9	15%	0.149	30%	0.303	C	S	.	.			trans	57	3.5	-169.5	-51.1	0	0	0	0	116.1	C239 K240 P241	C239-C273 HydrophobicContact CB-CB 3.93Å; C239-C273 WeakPolarHBondContact CB-SG 3.46Å; C239-C273 PolarHBondContact O-SG 3.32Å; C239-C273 VanDerWaalsContact O-SG 3.34Å; C239-C273 WeakPolarHBondContact SG-CA 3.35Å; C239-C273 WeakPolarHBondContact SG-CB 3.43Å; C239-C273 CovalentContact SG-SG 2.02Å; C239-C273 PolarHBondContact SG-SG 3.34Å; K240-C273 VanDerWaalsContact C-SG 3.59Å; P241-C273 VanDerWaalsContact CA-SG 3.58Å; P241-C273 VanDerWaalsContact CD-SG 3.59Å
274	T	68.7	Low	83.5	Confident	21 Å²	21	54.8 Å²	54.8	13%	0.129	30%	0.303	C	S	.	.			trans	-82.8	135.4	167.5	62.6	0	0	0	0	108.2	P150 T272 Y650	P150-T274 HydrophobicContact CG-CG2 3.88Å; T272-T274 PolarHBondContact O-N 3.17Å; T272-T274 PolarHBondContact OG1-N 3.02Å; T272-T274 PolarHBondContact OG1-OG1 3Å; T274-Y650 HydrophobicContact CG2-CD1 4.12Å; T274-Y650 HydrophobicContact CG2-CE1 3.81Å; T274-Y650 VanDerWaalsContact OG1-CE1 3.23Å; T274-Y650 WeakPolarHBondContact OG1-CE1 3.41Å
275	G	68.8	Low	84.2	Confident	24 Å²	24	52.7 Å²	52.7	25%	0.247	29%	0.289	C	S	.	.			trans	-63.3	-171.7	169.3	0	0	0	0	0	112.5	C277	G275-C277 PolarHBondContact O-N 2.86Å
276	P	71.4	Confident	84.8	Confident	85 Å²	85	44.4 Å²	44.4	55%	0.552	25%	0.25	S	S	*	.	S	Bend	trans	-51.9	118.8	179.9	21	-32.6	0	0	0	111.6	I154	I154-P276 HydrophobicContact CB-CB 4.49Å; I154-P276 HydrophobicContact CB-CG 4.11Å; I154-P276 PolarHBondContact N-O 3.37Å; I154-P276 VanDerWaalsContact N-O 3.13Å; I154-P276 WeakPolarHBondContact O-CG 3.43Å
277	C	74.3	Confident	85.3	Confident	27 Å²	27	44.3 Å²	44.3	18%	0.182	25%	0.247	C	C	.	.			trans	-108	133.3	-170.3	174	0	0	0	0	109.9	G275 Y650 C652	G275-C277 PolarHBondContact O-N 2.86Å; C277-Y650 WeakPolarHBondContact CB-OH 3.49Å; C277-Y650 PolarHBondContact SG-OH 2.87Å; C277-C652 HydrophobicContact CB-CB 4.38Å; C277-C652 WeakPolarHBondContact CB-SG 3.33Å; C277-C652 WeakPolarHBondContact SG-CA 3.4Å; C277-C652 WeakPolarHBondContact SG-CB 3.35Å; C277-C652 CovalentContact SG-SG 2.04Å; C277-C652 PolarHBondContact SG-SG 2.65Å
278	A	73.8	Confident	85.7	Confident	32 Å²	32	40.2 Å²	40.2	26%	0.264	22%	0.218	S	C	.	.	S	Bend	trans	-88.2	128.7	173.9	0	0	0	0	0	110	S653	A278-S653 WeakPolarHBondContact O-CB 3.36Å; A278-S653 PolarHBondContact O-N 3.28Å; A278-S653 VanDerWaalsContact O-N 3.12Å; A278-S653 PolarHBondContact O-OG 3.04Å
279	N	80.5	Confident	85.7	Confident	120 Å²	120	43.4 Å²	43.4	64%	0.642	23%	0.229	S	C	*	.	S	Bend	trans	47.2	69	-176	-52.1	-10.6	0	0	0	112
280	P	86.6	Confident	85.8	Confident	31 Å²	31	39.2 Å²	39.2	20%	0.201	21%	0.212	C	C	.	.			trans	-62.6	139.1	172.2	29.2	-35	0	0	0	110.2	Q609 Y650 R651	P280-Q609 WeakPolarHBondContact CG-O 3.37Å; P280-Q609 WeakPolarHBondContact O-CA 3.46Å; P280-Q609 WeakPolarHBondContact O-CB 3.42Å; P280-Q609 WeakPolarHBondContact O-CG 3.38Å; P280-Y650 HydrophobicContact CB-CE2 3.96Å; P280-R651 CarbonylContact C-O 3.53Å; P280-R651 WeakPolarHBondContact CA-O 3.4Å
281	F	90.6	Very high	85.7	Confident	87 Å²	87	40.9 Å²	40.9	38%	0.382	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.3	163.2	178.4	-94.3	0	0	0	107.9	E283 R651	F281-E283 HydrophobicContact CE1-CB 4.2Å; F281-R651 HydrophobicContact CB-CB 4.38Å; F281-R651 PolarHBondContact N-O 3.39Å; F281-R651 PolarHBondContact O-N 3.49Å
282	I	92.5	Very high	85.6	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.1	-172.7	-40	-171.1	0	0	0	107.2	L270 S607 G608 T611 L614 T648 Y650	L270-I282 HydrophobicContact CD2-CD1 4.48Å; L270-I282 HydrophobicContact CD2-CG2 3.9Å; I282-S607 CarbonylContact O-C 3.54Å; I282-S607 WeakPolarHBondContact O-CA 3.33Å; I282-G608 PolarHBondContact N-O 2.91Å; I282-G608 PolarHBondContact O-N 2.89Å; I282-T611 HydrophobicContact CD1-CG2 3.36Å; I282-L614 HydrophobicContact CB-CD1 3.89Å; I282-L614 HydrophobicContact CG2-CD1 3.8Å; I282-T648 HydrophobicContact CG2-CG2 4.2Å; I282-Y650 HydrophobicContact CB-CD2 4.49Å; I282-Y650 HydrophobicContact CD1-CD2 4.03Å; I282-Y650 HydrophobicContact CD1-CE2 3.9Å; I282-Y650 HydrophobicContact CG1-CD2 3.76Å; I282-Y650 HydrophobicContact CG1-CE2 3.9Å; I282-Y650 HydrophobicContact CG2-CD2 4.39Å
283	E	94.5	Very high	85.5	Confident	77 Å²	77	48.3 Å²	48.3	36%	0.36	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	121.3	177.2	-174.2	-163.1	167.9	0	0	108.3	F281 V606 T648 S649	F281-E283 HydrophobicContact CE1-CB 4.2Å; E283-V606 CarbonylContact C-O 3.56Å; E283-V606 WeakPolarHBondContact CA-O 3.33Å; E283-T648 CarbonylContact O-C 3.55Å; E283-T648 VanDerWaalsContact O-CA 3.23Å; E283-T648 WeakPolarHBondContact O-CA 2.9Å; E283-T648 WeakPolarHBondContact O-CG2 3.44Å; E283-S649 WeakPolarHBondContact CB-OG 3.48Å; E283-S649 PolarHBondContact N-O 2.61Å; E283-S649 PolarHBondContact O-N 2.71Å; E283-S649 PolarHBondContact OE2-OG 3.38Å
284	A	96.1	Very high	85.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.1	179.5	0	0	0	0	0	109.9	W243 T605 V606 L614 L618 L646 L647 T648	W243-A284 HydrophobicContact CZ2-CB 4.5Å; A284-T605 WeakPolarHBondContact O-CA 3.48Å; A284-V606 PolarHBondContact N-O 2.92Å; A284-V606 PolarHBondContact O-N 3.16Å; A284-L614 HydrophobicContact CB-CD1 4.41Å; A284-L614 HydrophobicContact CB-CD2 3.98Å; A284-L618 HydrophobicContact CB-CD1 4.23Å; A284-L618 HydrophobicContact CB-CD2 4.34Å; A284-L646 HydrophobicContact CB-CD1 4.24Å; A284-L647 WeakPolarHBondContact CA-O 3.41Å; A284-T648 HydrophobicContact CB-CG2 4.36Å
285	R	97.1	Very high	86	Confident	70 Å²	70	55.8 Å²	55.8	26%	0.264	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	110.2	-179.4	-178.4	169.2	175.6	96.4	2.1	109.3	E287 V603 I604 T605 L646 L647	R285-E287 HydrophobicContact CG-CG 4.11Å; R285-E287 IonicContact CZ-OE1 2.74Å; R285-E287 IonicContact NE-OE1 3.07Å; R285-E287 PolarHBondContact NE-OE1 3.18Å; R285-E287 IonicContact NH2-OE1 2.7Å; R285-E287 PolarHBondContact NH2-OE1 3.22Å; R285-V603 HydrophobicContact CG-CG1 3.64Å; R285-V603 VanDerWaalsContact CZ-CG1 3.5Å; R285-I604 CarbonylContact C-O 3.57Å; R285-I604 WeakPolarHBondContact CA-O 3.4Å; R285-T605 HydrophobicContact CB-CG2 3.76Å; R285-T605 HydrophobicContact CG-CG2 3.58Å; R285-L646 WeakPolarHBondContact O-CA 3.37Å; R285-L647 HydrophobicContact CB-CB 4.35Å; R285-L647 HydrophobicContact CG-CD1 4.44Å; R285-L647 PolarHBondContact N-O 3.07Å; R285-L647 PolarHBondContact O-N 2.94Å
286	L	97.5	Very high	86.6	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	113.1	175.7	-176.6	70.3	0	0	0	109.7	L262 F263 L582 V603 I604 I621 L644 R645 L646	L262-L286 HydrophobicContact CD1-CD2 4.46Å; F263-L286 HydrophobicContact CE2-CD2 4.1Å; L286-L582 HydrophobicContact CD2-CD1 4.19Å; L286-L582 HydrophobicContact CG-CD1 4.2Å; L286-V603 WeakPolarHBondContact O-CA 3.45Å; L286-I604 PolarHBondContact N-O 3.38Å; L286-I604 PolarHBondContact O-N 2.84Å; L286-I621 HydrophobicContact CB-CD1 4.5Å; L286-I621 HydrophobicContact CD2-CD1 3.77Å; L286-I621 HydrophobicContact CD2-CG2 4.01Å; L286-L644 HydrophobicContact CD1-CB 4.23Å; L286-L644 HydrophobicContact CD1-CD2 4.48Å; L286-R645 WeakPolarHBondContact CA-O 3.07Å; L286-L646 HydrophobicContact CB-CD1 4.24Å; L286-L646 HydrophobicContact CD1-CB 4.06Å; L286-L646 HydrophobicContact CD1-CD1 4.36Å
287	E	96.6	Very high	87.3	Confident	23 Å²	23	59.5 Å²	59.5	11%	0.107	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.7	177.6	-49.5	-163.8	153.6	0	0	112	R285 R289 D602 V603 L644 R645 L647	R285-E287 HydrophobicContact CG-CG 4.11Å; R285-E287 IonicContact CZ-OE1 2.74Å; R285-E287 IonicContact NE-OE1 3.07Å; R285-E287 PolarHBondContact NE-OE1 3.18Å; R285-E287 IonicContact NH2-OE1 2.7Å; R285-E287 PolarHBondContact NH2-OE1 3.22Å; E287-R289 IonicContact OE1-NH2 2.8Å; E287-R289 PolarHBondContact OE1-NH2 3.45Å; E287-R289 IonicContact OE2-CZ 2.9Å; E287-R289 IonicContact OE2-NE 2.87Å; E287-R289 PolarHBondContact OE2-NE 3.06Å; E287-R289 VanDerWaalsContact OE2-NE 3.08Å; E287-R289 IonicContact OE2-NH2 2.73Å; E287-R289 PolarHBondContact OE2-NH2 3.31Å; E287-D602 CarbonylContact C-O 3.56Å; E287-D602 WeakPolarHBondContact CA-O 3.3Å; E287-V603 HydrophobicContact CB-CG2 4.21Å; E287-V603 HydrophobicContact CG-CG1 4.02Å; E287-V603 HydrophobicContact CG-CG2 3.96Å; E287-L644 CarbonylContact O-C 3.58Å; E287-L644 VanDerWaalsContact O-CA 3.24Å; E287-L644 WeakPolarHBondContact O-CA 3.21Å; E287-R645 PolarHBondContact N-O 2.97Å; E287-R645 PolarHBondContact O-N 3.32Å; E287-L647 HydrophobicContact CG-CD1 3.91Å
288	L	95.8	Very high	87.7	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121.8	171.7	177.3	71.4	0	0	0	109.6	L297 L582 D602 Y623 R642 L644 L667	L288-L297 HydrophobicContact CB-CD2 4.33Å; L288-L297 HydrophobicContact CD2-CD2 3.63Å; L288-L297 HydrophobicContact CG-CD2 3.62Å; L288-L582 HydrophobicContact CB-CD1 3.87Å; L288-L582 HydrophobicContact CB-CD2 4.33Å; L288-L582 HydrophobicContact CB-CG 3.93Å; L288-L582 HydrophobicContact CD2-CD2 4.44Å; L288-L582 HydrophobicContact CD2-CG 4.29Å; L288-D602 PolarHBondContact N-O 3.01Å; L288-Y623 HydrophobicContact CD1-CE2 4.3Å; L288-Y623 HydrophobicContact CD2-CD2 4Å; L288-Y623 HydrophobicContact CD2-CE2 3.64Å; L288-R642 HydrophobicContact CD1-CB 3.96Å; L288-R642 HydrophobicContact CD1-CG 4.25Å; L288-L644 HydrophobicContact CB-CD2 4.15Å; L288-L644 HydrophobicContact CD1-CD2 3.72Å; L288-L644 HydrophobicContact CD1-CG 4.43Å; L288-L667 HydrophobicContact CD1-CD2 3.91Å
289	R	92.9	Very high	88.4	Confident	82 Å²	82	63.2 Å²	63.2	31%	0.309	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	159	-178.3	-57.2	-63.6	179	-158.3	-0.8	111	E287 D602 R642 L643	E287-R289 IonicContact OE1-NH2 2.8Å; E287-R289 PolarHBondContact OE1-NH2 3.45Å; E287-R289 IonicContact OE2-CZ 2.9Å; E287-R289 IonicContact OE2-NE 2.87Å; E287-R289 PolarHBondContact OE2-NE 3.06Å; E287-R289 VanDerWaalsContact OE2-NE 3.08Å; E287-R289 IonicContact OE2-NH2 2.73Å; E287-R289 PolarHBondContact OE2-NH2 3.31Å; R289-D602 IonicContact CZ-OD2 3.38Å; R289-D602 IonicContact NH1-OD2 3.44Å; R289-D602 PolarHBondContact NH1-OD2 3.23Å; R289-D602 IonicContact NH2-OD2 2.58Å; R289-R642 WeakPolarHBondContact O-CA 3.18Å; R289-L643 HydrophobicContact CB-CB 4.45Å; R289-L643 PolarHBondContact N-O 3.18Å; R289-L643 PolarHBondContact O-N 3.44Å
290	S	90.5	Very high	88.9	Confident	19 Å²	19	57.7 Å²	57.7	13%	0.133	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	137.6	162.7	-174.7	0	0	0	0	109.3	V292 Q295	S290-V292 PolarHBondContact O-N 3.16Å; S290-V292 PolarHBondContact OG-N 2.65Å; S290-V292 VanDerWaalsContact OG-N 3.14Å; S290-Q295 VanDerWaalsContact CB-O 3.29Å; S290-Q295 WeakPolarHBondContact CB-O 3.5Å
291	A	88.1	Confident	89	Confident	47 Å²	47	58.3 Å²	58.3	39%	0.388	32%	0.322	S	S	.	.	S	Bend	trans	-72.4	-13.5	169.4	0	0	0	0	0	112.3	A641	A291-A641 HydrophobicContact CB-CB 3.65Å; A291-A641 WeakPolarHBondContact CB-O 3.26Å; A291-A641 PolarHBondContact N-O 2.98Å
292	V	83.2	Confident	88.9	Confident	73 Å²	73	54.5 Å²	54.5	44%	0.442	31%	0.306	S	S	.	.	S	Bend	trans	-86.1	112.4	177.3	-174	0	0	0	0	109.5	S290 G294 Q295	S290-V292 PolarHBondContact O-N 3.16Å; S290-V292 PolarHBondContact OG-N 2.65Å; S290-V292 VanDerWaalsContact OG-N 3.14Å; V292-G294 PolarHBondContact O-N 3.05Å; V292-Q295 HydrophobicContact CB-CB 4.27Å; V292-Q295 HydrophobicContact CB-CG 4.22Å; V292-Q295 HydrophobicContact CG1-CB 4.43Å; V292-Q295 HydrophobicContact CG1-CG 3.87Å; V292-Q295 PolarHBondContact O-N 3.33Å; V292-Q295 VanDerWaalsContact O-N 3.13Å
293	I	78.4	Confident	88.5	Confident	174 Å²	174	59 Å²	59	89%	0.892	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	128	-178.5	-58.2	173.2	0	0	0	110.5	Q295	I293-Q295 VanDerWaalsContact C-N 3.32Å; I293-Q295 PolarHBondContact O-N 3.09Å
294	G	77.7	Confident	88	Confident	81 Å²	81	55.6 Å²	55.6	84%	0.835	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	1.7	178.1	0	0	0	0	0	115.4	V292	V292-G294 PolarHBondContact O-N 3.05Å
295	Q	79.4	Confident	87.7	Confident	119 Å²	119	55.9 Å²	55.9	56%	0.556	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-98.4	126.7	168.9	-68.4	-173.8	-12.7	0	0	110.7	S290 V292 I293	S290-Q295 VanDerWaalsContact CB-O 3.29Å; S290-Q295 WeakPolarHBondContact CB-O 3.5Å; V292-Q295 HydrophobicContact CB-CB 4.27Å; V292-Q295 HydrophobicContact CB-CG 4.22Å; V292-Q295 HydrophobicContact CG1-CB 4.43Å; V292-Q295 HydrophobicContact CG1-CG 3.87Å; V292-Q295 PolarHBondContact O-N 3.33Å; V292-Q295 VanDerWaalsContact O-N 3.13Å; I293-Q295 VanDerWaalsContact C-N 3.32Å; I293-Q295 PolarHBondContact O-N 3.09Å
296	N	82.2	Confident	87	Confident	155 Å²	155	56.7 Å²	56.7	83%	0.829	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-72.9	147	171.1	-68.7	-6.6	0	0	0	110.2
297	L	84.7	Confident	86.5	Confident	31 Å²	31	57.8 Å²	57.8	16%	0.162	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-76.5	134.9	171.8	-173.8	65.4	0	0	0	109.5	L288 T299 E580 D602 R642	L288-L297 HydrophobicContact CB-CD2 4.33Å; L288-L297 HydrophobicContact CD2-CD2 3.63Å; L288-L297 HydrophobicContact CG-CD2 3.62Å; L297-T299 HydrophobicContact CD2-CG2 4.13Å; L297-T299 HydrophobicContact CG-CG2 4.36Å; L297-T299 PolarHBondContact O-N 3.01Å; L297-E580 WeakPolarHBondContact CD1-OE2 3.36Å; L297-D602 HydrophobicContact CD2-CB 4.37Å; L297-R642 VanDerWaalsContact CD1-NE 3.27Å
298	V	82.7	Confident	85.7	Confident	98 Å²	98	58 Å²	58	59%	0.594	32%	0.324	S	S	*	.			trans	-89.5	102.6	167.5	-179.2	0	0	0	0	107.4
299	T	89	Confident	85	Confident	39 Å²	39	59.9 Å²	59.9	24%	0.239	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-77.7	166.5	178.1	45.4	0	0	0	0	112.2	L297 N301 E580 N601 D602	L297-T299 HydrophobicContact CD2-CG2 4.13Å; L297-T299 HydrophobicContact CG-CG2 4.36Å; L297-T299 PolarHBondContact O-N 3.01Å; T299-N301 PolarHBondContact O-ND2 3.48Å; T299-E580 CarbonylContact C-O 3.53Å; T299-E580 VanDerWaalsContact CA-O 3.25Å; T299-E580 WeakPolarHBondContact CA-O 3.3Å; T299-N601 HydrophobicContact CG2-CB 3.98Å; T299-D602 HydrophobicContact CG2-CB 3.72Å
300	A	90.9	Very high	84.5	Confident	5 Å²	5	59 Å²	59	4%	0.041	34%	0.34	C	S	.	.			trans	-53.3	138.6	170.1	0	0	0	0	0	111	Q577 E580 A581 N601	A300-Q577 HydrophobicContact CB-CB 3.98Å; A300-E580 PolarHBondContact N-O 3.1Å; A300-A581 HydrophobicContact CB-CB 3.95Å; A300-N601 PolarHBondContact O-ND2 2.79Å
301	N	89.2	Confident	84.3	Confident	43 Å²	43	58.2 Å²	58.2	23%	0.23	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-151.9	162.2	176.4	59.5	89.1	0	0	0	108.9	T299 Q303 S304 C578	T299-N301 PolarHBondContact O-ND2 3.48Å; N301-Q303 PolarHBondContact OD1-N 3.23Å; N301-S304 PolarHBondContact ND2-OG 3.36Å; N301-S304 PolarHBondContact O-OG 2.63Å; N301-S304 PolarHBondContact OD1-N 3.2Å; N301-S304 PolarHBondContact OD1-OG 3.29Å; N301-S304 VanDerWaalsContact OD1-OG 3.06Å; N301-C578 PolarHBondContact O-N 3.16Å; N301-C578 VanDerWaalsContact O-N 3.09Å
302	P	88	Confident	84.4	Confident	7 Å²	7	56.5 Å²	56.5	5%	0.045	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-64.3	-38.6	-179.5	-20.2	31.1	0	0	0	112.8	S304 C305 W395 D504 S576 Q577	P302-S304 PolarHBondContact O-N 3.33Å; P302-C305 VanDerWaalsContact O-CB 3.27Å; P302-C305 WeakPolarHBondContact O-CB 3.38Å; P302-C305 PolarHBondContact O-N 3.27Å; P302-W395 HydrophobicContact CB-CH2 4.03Å; P302-W395 HydrophobicContact CB-CZ3 4.05Å; P302-D504 HydrophobicContact CB-CB 4.43Å; P302-D504 HydrophobicContact CG-CB 3.45Å; P302-D504 VanDerWaalsContact CG-CB 3.45Å; P302-D504 VanDerWaalsContact CG-CG 3.4Å; P302-S576 WeakPolarHBondContact CA-O 3.22Å; P302-Q577 HydrophobicContact CG-CG 4.31Å
303	Q	83.4	Confident	84.7	Confident	97 Å²	97	59.6 Å²	59.6	45%	0.453	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-73.6	-10.6	-173.9	-58.5	78.4	16.2	0	0	113.4	N301	N301-Q303 PolarHBondContact OD1-N 3.23Å
304	S	85.4	Confident	85.2	Confident	5 Å²	5	54.9 Å²	54.9	4%	0.035	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-93.6	3.3	167.7	45.7	0	0	0	0	114.2	N301 P302 C578 S631 V632	N301-S304 PolarHBondContact ND2-OG 3.36Å; N301-S304 PolarHBondContact O-OG 2.63Å; N301-S304 PolarHBondContact OD1-N 3.2Å; N301-S304 PolarHBondContact OD1-OG 3.29Å; N301-S304 VanDerWaalsContact OD1-OG 3.06Å; P302-S304 PolarHBondContact O-N 3.33Å; S304-C578 WeakPolarHBondContact CB-O 3.47Å; S304-C578 PolarHBondContact OG-O 3.28Å; S304-S631 CarbonylContact O-C 3.58Å; S304-S631 WeakPolarHBondContact O-CA 3.47Å; S304-V632 PolarHBondContact O-N 2.94Å
305	C	88.6	Confident	85.8	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.034	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-77.8	152.5	165.9	-68.3	0	0	0	0	112.2	P302 W395 C578 V632	P302-C305 VanDerWaalsContact O-CB 3.27Å; P302-C305 WeakPolarHBondContact O-CB 3.38Å; P302-C305 PolarHBondContact O-N 3.27Å; C305-W395 HydrophobicContact CB-CH2 4.16Å; C305-W395 HydrophobicContact CB-CZ2 4.23Å; C305-C578 WeakPolarHBondContact CA-SG 3.45Å; C305-C578 HydrophobicContact CB-CB 3.9Å; C305-C578 WeakPolarHBondContact CB-SG 3.38Å; C305-C578 WeakPolarHBondContact SG-CB 3.47Å; C305-C578 PolarHBondContact SG-N 2.92Å; C305-C578 CovalentContact SG-SG 2.04Å; C305-C578 PolarHBondContact SG-SG 2.9Å; C305-V632 WeakPolarHBondContact O-CG2 3.17Å
306	R	84	Confident	86.4	Confident	88 Å²	88	46.8 Å²	46.8	33%	0.332	24%	0.238	S	C	.	.			trans	-99.5	131.5	162.5	-73.5	168.1	169.4	-71.8	-11.7	108.7	S311 G629 V630 V632	R306-S311 WeakPolarHBondContact CB-OG 2.95Å; R306-S311 WeakPolarHBondContact O-CB 3.34Å; R306-G629 WeakPolarHBondContact CD-O 3.41Å; R306-V630 WeakPolarHBondContact CB-O 3.45Å; R306-V630 WeakPolarHBondContact CG-O 3.19Å; R306-V630 PolarHBondContact N-O 2.9Å; R306-V632 HydrophobicContact CG-CG2 3.76Å
307	H	86.9	Confident	86.8	Confident	22 Å²	22	44.9 Å²	44.9	10%	0.102	22%	0.222	C	C	.	.			trans	-97.4	12.1	-172	-48.8	-70.3	0	0	0	113.9	I312 W395 W479 T557	H307-I312 HydrophobicContact CB-CD1 4.49Å; H307-I312 VanDerWaalsContact O-CD1 3.23Å; H307-I312 WeakPolarHBondContact O-CD1 3.44Å; H307-W395 AromaticContact CE1-CE3 3.52Å; H307-W395 AromaticContact CE1-CH2 3.64Å; H307-W395 AromaticContact CE1-CZ3 3.32Å; H307-W395 WeakPolarHBondContact CE1-CZ3 3.17Å; H307-W395 AromaticContact ND1-CD2 3.55Å; H307-W395 AromaticContact ND1-CE2 3.81Å; H307-W395 AromaticContact ND1-CE3 3.51Å; H307-W395 AromaticContact ND1-CH2 3.96Å; H307-W395 AromaticContact ND1-CZ3 3.73Å; H307-W479 AromaticContact CD2-CD1 3.34Å; H307-W479 AromaticContact CD2-CG 3.54Å; H307-W479 AromaticContact CD2-NE1 3.85Å; H307-W479 WeakPolarHBondContact NE2-CB 3.46Å; H307-W479 AromaticContact NE2-CD1 3.7Å; H307-W479 AromaticContact NE2-CG 3.68Å; H307-T557 HydrophobicContact CB-CG2 3.82Å; H307-T557 WeakPolarHBondContact O-CG2 3.36Å; H307-T557 PolarHBondContact O-OG1 3.31Å
308	D	79.6	Confident	87.1	Confident	28 Å²	28	43.7 Å²	43.7	15%	0.15	22%	0.215	C	C	.	.	S	Bend	trans	-73.5	152.5	171	74.6	85.2	0	0	0	111.1	T310 S311 I312 L356	D308-T310 VanDerWaalsContact C-N 3.25Å; D308-T310 PolarHBondContact O-N 2.91Å; D308-T310 WeakPolarHBondContact OD1-CA 3.49Å; D308-T310 WeakPolarHBondContact OD1-CB 3.42Å; D308-T310 PolarHBondContact OD1-N 3.34Å; D308-T310 PolarHBondContact OD1-OG1 2.96Å; D308-S311 VanDerWaalsContact CG-OG 3.3Å; D308-S311 PolarHBondContact O-N 2.86Å; D308-S311 PolarHBondContact OD1-N 2.84Å; D308-S311 PolarHBondContact OD1-OG 3.25Å; D308-S311 WeakPolarHBondContact OD2-CB 3.29Å; D308-S311 PolarHBondContact OD2-OG 3.34Å; D308-I312 WeakPolarHBondContact O-CG1 3.28Å; D308-I312 PolarHBondContact O-N 2.93Å; D308-L356 WeakPolarHBondContact CA-O 3.46Å
309	P	81.2	Confident	87.6	Confident	39 Å²	39	39.5 Å²	39.5	25%	0.253	19%	0.191	S	C	.	.	H	α-helix	trans	-58.3	-33.1	-176.7	-22.1	28.8	0	0	0	114.1	K313 P333 L357	P309-K313 WeakPolarHBondContact O-CB 3.23Å; P309-K313 PolarHBondContact O-N 2.84Å; P309-P333 HydrophobicContact CG-CG 3.58Å; P309-L357 HydrophobicContact CG-CB 4.01Å
310	T	81.9	Confident	87.6	Confident	63 Å²	63	39.7 Å²	39.7	39%	0.387	20%	0.2	S	C	.	.	H	α-helix	trans	-72.9	-41.1	-176.8	78.6	0	0	0	0	110.7	D308 R314	D308-T310 VanDerWaalsContact C-N 3.25Å; D308-T310 PolarHBondContact O-N 2.91Å; D308-T310 WeakPolarHBondContact OD1-CA 3.49Å; D308-T310 WeakPolarHBondContact OD1-CB 3.42Å; D308-T310 PolarHBondContact OD1-N 3.34Å; D308-T310 PolarHBondContact OD1-OG1 2.96Å; T310-R314 VanDerWaalsContact O-CG 3.28Å; T310-R314 WeakPolarHBondContact O-CG 3.44Å; T310-R314 PolarHBondContact O-N 3Å; T310-R314 VanDerWaalsContact O-N 3.08Å
311	S	86.2	Confident	87.5	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-65.7	-48.1	173.7	-65.7	0	0	0	0	112	R306 D308 K313 R314 Q315 G629	R306-S311 WeakPolarHBondContact CB-OG 2.95Å; R306-S311 WeakPolarHBondContact O-CB 3.34Å; D308-S311 VanDerWaalsContact CG-OG 3.3Å; D308-S311 PolarHBondContact O-N 2.86Å; D308-S311 PolarHBondContact OD1-N 2.84Å; D308-S311 PolarHBondContact OD1-OG 3.25Å; D308-S311 WeakPolarHBondContact OD2-CB 3.29Å; D308-S311 PolarHBondContact OD2-OG 3.34Å; S311-K313 PolarHBondContact O-N 2.82Å; S311-R314 PolarHBondContact O-N 2.9Å; S311-Q315 PolarHBondContact O-N 3.26Å; S311-G629 PolarHBondContact OG-O 3.1Å
312	I	90.3	Very high	87.5	Confident	12 Å²	12	40.2 Å²	40.2	6%	0.062	20%	0.202	C	C	.	.	H	α-helix	trans	-59.2	-47.9	178	-71.1	173.8	0	0	0	110.3	H307 D308 R314 Q315 Q316 T557	H307-I312 HydrophobicContact CB-CD1 4.49Å; H307-I312 VanDerWaalsContact O-CD1 3.23Å; H307-I312 WeakPolarHBondContact O-CD1 3.44Å; D308-I312 WeakPolarHBondContact O-CG1 3.28Å; D308-I312 PolarHBondContact O-N 2.93Å; I312-R314 VanDerWaalsContact C-N 3.32Å; I312-R314 PolarHBondContact O-N 2.85Å; I312-Q315 PolarHBondContact O-N 2.79Å; I312-Q315 VanDerWaalsContact O-N 3.16Å; I312-Q316 HydrophobicContact CG2-CG 4.25Å; I312-Q316 WeakPolarHBondContact O-CB 3.38Å; I312-Q316 VanDerWaalsContact O-CG 3.3Å; I312-Q316 WeakPolarHBondContact O-CG 3.42Å; I312-Q316 PolarHBondContact O-N 2.88Å; I312-T557 HydrophobicContact CD1-CG2 3.96Å; I312-T557 WeakPolarHBondContact CD1-OG1 3.25Å
313	K	88.5	Confident	87.5	Confident	138 Å²	138	46.1 Å²	46.1	60%	0.6	24%	0.24	S	C	*	.	H	α-helix	trans	-63	-35.6	179	-173.6	175.2	-174.9	173.3	0	112.9	P309 S311 K317	P309-K313 WeakPolarHBondContact O-CB 3.23Å; P309-K313 PolarHBondContact O-N 2.84Å; S311-K313 PolarHBondContact O-N 2.82Å; K313-K317 WeakPolarHBondContact O-CB 3.3Å; K313-K317 PolarHBondContact O-N 2.83Å
314	R	88.5	Confident	87.7	Confident	75 Å²	75	46 Å²	46	28%	0.283	25%	0.246	S	C	.	.	H	α-helix	trans	-65.7	-45.6	172	-75.4	174.2	-171.4	-149.3	0.3	111.4	T310 S311 I312 K317 F318 V630 T680	T310-R314 VanDerWaalsContact O-CG 3.28Å; T310-R314 WeakPolarHBondContact O-CG 3.44Å; T310-R314 PolarHBondContact O-N 3Å; T310-R314 VanDerWaalsContact O-N 3.08Å; S311-R314 PolarHBondContact O-N 2.9Å; I312-R314 VanDerWaalsContact C-N 3.32Å; I312-R314 PolarHBondContact O-N 2.85Å; R314-K317 PolarHBondContact O-N 3.48Å; R314-F318 WeakPolarHBondContact O-CB 3.31Å; R314-F318 PolarHBondContact O-N 3.21Å; R314-V630 HydrophobicContact CB-CG2 3.6Å; R314-T680 PolarHBondContact NH2-O 2.85Å
315	Q	91.7	Very high	87.9	Confident	12 Å²	12	46.3 Å²	46.3	6%	0.056	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-44.6	177.6	-169.6	66.2	2.2	0	0	111.7	S311 I312 K317 F318 C319 C574 Q577 V630	S311-Q315 PolarHBondContact O-N 3.26Å; I312-Q315 PolarHBondContact O-N 2.79Å; I312-Q315 VanDerWaalsContact O-N 3.16Å; Q315-K317 PolarHBondContact O-N 3.23Å; Q315-F318 PolarHBondContact O-N 2.93Å; Q315-C319 WeakPolarHBondContact O-CB 3.36Å; Q315-C319 PolarHBondContact O-N 3.37Å; Q315-C319 PolarHBondContact O-SG 2.85Å; Q315-C574 PolarHBondContact NE2-O 3.16Å; Q315-Q577 PolarHBondContact NE2-O 3.25Å; Q315-V630 HydrophobicContact CB-CG1 3.9Å; Q315-V630 HydrophobicContact CG-CG1 4.41Å
316	Q	91.8	Very high	87.7	Confident	17 Å²	17	47.9 Å²	47.9	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-57.9	-45.1	174.9	-73.5	171.4	-11.5	0	0	112.3	I312 G320 L321 T560 I575	I312-Q316 HydrophobicContact CG2-CG 4.25Å; I312-Q316 WeakPolarHBondContact O-CB 3.38Å; I312-Q316 VanDerWaalsContact O-CG 3.3Å; I312-Q316 WeakPolarHBondContact O-CG 3.42Å; I312-Q316 PolarHBondContact O-N 2.88Å; Q316-G320 PolarHBondContact O-N 2.87Å; Q316-L321 HydrophobicContact CB-CB 4.37Å; Q316-L321 HydrophobicContact CB-CD2 4.04Å; Q316-L321 HydrophobicContact CG-CD2 4.02Å; Q316-L321 WeakPolarHBondContact O-CB 3.31Å; Q316-L321 PolarHBondContact O-N 3.44Å; Q316-T560 VanDerWaalsContact NE2-CG2 3.3Å; Q316-I575 HydrophobicContact CG-CG2 4.16Å
317	K	90.3	Very high	87.5	Confident	116 Å²	116	46.2 Å²	46.2	50%	0.504	26%	0.255	S	S	.	.	H	α-helix	trans	-61.3	-49.8	174.2	-175.1	-171.3	173	-167.8	0	111	E257 K313 R314 Q315 C319 G320	E257-K317 IonicContact OE1-NZ 2.8Å; E257-K317 PolarHBondContact OE1-NZ 2.83Å; K313-K317 WeakPolarHBondContact O-CB 3.3Å; K313-K317 PolarHBondContact O-N 2.83Å; R314-K317 PolarHBondContact O-N 3.48Å; Q315-K317 PolarHBondContact O-N 3.23Å; K317-C319 VanDerWaalsContact C-N 3.35Å; K317-C319 PolarHBondContact O-N 2.9Å; K317-G320 PolarHBondContact O-N 2.94Å; K317-G320 VanDerWaalsContact O-N 3.13Å
318	F	91.3	Very high	87.1	Confident	5 Å²	5	49.6 Å²	49.6	2%	0.022	27%	0.274	C	S	.	.	H	α-helix	trans	-57.3	-47.1	179.5	175.6	-106.6	0	0	0	111.5	S255 E257 K258 P259 R314 Q315 G320 A624 Q627	S255-F318 WeakPolarHBondContact O-CE2 3.42Å; E257-F318 WeakPolarHBondContact O-CA 3.3Å; K258-F318 WeakPolarHBondContact CA-O 3.44Å; P259-F318 HydrophobicContact CB-CZ 4.21Å; P259-F318 WeakPolarHBondContact CD-O 3.33Å; P259-F318 HydrophobicContact CG-CD1 4.39Å; P259-F318 HydrophobicContact CG-CE1 3.76Å; P259-F318 HydrophobicContact CG-CE2 4.08Å; P259-F318 HydrophobicContact CG-CZ 3.59Å; R314-F318 WeakPolarHBondContact O-CB 3.31Å; R314-F318 PolarHBondContact O-N 3.21Å; Q315-F318 PolarHBondContact O-N 2.93Å; F318-G320 PolarHBondContact O-N 3.42Å; F318-A624 HydrophobicContact CE1-CB 3.94Å; F318-A624 HydrophobicContact CZ-CB 3.98Å; F318-Q627 HydrophobicContact CD1-CG 4.37Å; F318-Q627 HydrophobicContact CD2-CG 4.44Å; F318-Q627 HydrophobicContact CE1-CG 4.49Å; F318-Q627 HydrophobicContact CG-CG 4.34Å
319	C	92.3	Very high	87.7	Confident	11 Å²	11	48.3 Å²	48.3	7%	0.074	27%	0.267	C	S	.	.	H	α-helix	trans	-70.2	-10.1	-179.7	-63.6	0	0	0	0	114.6	Q315 K317 T571 C574 I575	Q315-C319 WeakPolarHBondContact O-CB 3.36Å; Q315-C319 PolarHBondContact O-N 3.37Å; Q315-C319 PolarHBondContact O-SG 2.85Å; K317-C319 VanDerWaalsContact C-N 3.35Å; K317-C319 PolarHBondContact O-N 2.9Å; C319-T571 HydrophobicContact CB-CG2 4.45Å; C319-C574 VanDerWaalsContact CA-SG 3.5Å; C319-C574 HydrophobicContact CB-CB 3.62Å; C319-C574 WeakPolarHBondContact CB-SG 3.42Å; C319-C574 WeakPolarHBondContact SG-CB 3.43Å; C319-C574 PolarHBondContact SG-O 3.2Å; C319-C574 CovalentContact SG-SG 2.03Å; C319-C574 PolarHBondContact SG-SG 2.97Å; C319-I575 HydrophobicContact CB-CG2 3.6Å; C319-I575 PolarHBondContact SG-N 3.48Å
320	G	88.9	Confident	88.3	Confident	43 Å²	43	47.3 Å²	47.3	44%	0.443	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	35.3	178.4	0	0	0	0	0	114.1	Q316 K317 F318	Q316-G320 PolarHBondContact O-N 2.87Å; K317-G320 PolarHBondContact O-N 2.94Å; K317-G320 VanDerWaalsContact O-N 3.13Å; F318-G320 PolarHBondContact O-N 3.42Å
321	L	90.2	Very high	88.5	Confident	23 Å²	23	44.5 Å²	44.5	12%	0.12	24%	0.242	C	C	.	.			trans	-47.9	139.2	173	-165.1	78	0	0	0	111.2	Q316 T325 T327 E567 T571 I575	Q316-L321 HydrophobicContact CB-CB 4.37Å; Q316-L321 HydrophobicContact CB-CD2 4.04Å; Q316-L321 HydrophobicContact CG-CD2 4.02Å; Q316-L321 WeakPolarHBondContact O-CB 3.31Å; Q316-L321 PolarHBondContact O-N 3.44Å; L321-T325 HydrophobicContact CD1-CG2 4.46Å; L321-T325 HydrophobicContact CD2-CG2 3.71Å; L321-T325 HydrophobicContact CG-CG2 4.07Å; L321-T327 HydrophobicContact CD2-CG2 3.7Å; L321-E567 HydrophobicContact CD1-CG 4.19Å; L321-E567 WeakPolarHBondContact CD1-OE2 3.34Å; L321-T571 HydrophobicContact CD1-CG2 4.28Å; L321-I575 HydrophobicContact CD1-CD1 4.16Å
322	D	89.2	Confident	88.3	Confident	36 Å²	36	46.2 Å²	46.2	19%	0.193	25%	0.251	C	S	.	.			trans	-54.9	130.2	-176.9	-173.7	-59.1	0	0	0	110.2	V324 T325 L562 K565 E567	D322-V324 PolarHBondContact O-N 3.23Å; D322-V324 VanDerWaalsContact OD1-CB 3.27Å; D322-V324 WeakPolarHBondContact OD1-CB 3.41Å; D322-V324 WeakPolarHBondContact OD1-CG2 3.41Å; D322-V324 PolarHBondContact OD1-N 2.96Å; D322-T325 WeakPolarHBondContact O-CB 3.09Å; D322-T325 PolarHBondContact O-N 2.72Å; D322-T325 PolarHBondContact O-OG1 3.44Å; D322-L562 HydrophobicContact CB-CD1 4.12Å; D322-L562 HydrophobicContact CB-CD2 4.17Å; D322-K565 IonicContact OD1-NZ 2.79Å; D322-K565 IonicContact OD2-NZ 3.26Å; D322-K565 PolarHBondContact OD2-NZ 3.48Å; D322-E567 PolarHBondContact N-OE2 2.86Å
323	P	86.9	Confident	87.5	Confident	130 Å²	130	46.4 Å²	46.4	84%	0.844	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-10	-175.2	27.6	-37	0	0	0	114.4
324	V	87.3	Confident	86.6	Confident	94 Å²	94	46.1 Å²	46.1	57%	0.57	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-13.4	171.9	-172	0	0	0	0	111.6	D322 I326	D322-V324 PolarHBondContact O-N 3.23Å; D322-V324 VanDerWaalsContact OD1-CB 3.27Å; D322-V324 WeakPolarHBondContact OD1-CB 3.41Å; D322-V324 WeakPolarHBondContact OD1-CG2 3.41Å; D322-V324 PolarHBondContact OD1-N 2.96Å; V324-I326 PolarHBondContact O-N 2.84Å
325	T	90.2	Very high	85.6	Confident	12 Å²	12	49.8 Å²	49.8	7%	0.074	27%	0.269	C	S	.	.	S	Bend	trans	-60.1	123.8	175.6	-57.7	0	0	0	0	110.7	L321 D322 T327 L562	L321-T325 HydrophobicContact CD1-CG2 4.46Å; L321-T325 HydrophobicContact CD2-CG2 3.71Å; L321-T325 HydrophobicContact CG-CG2 4.07Å; D322-T325 WeakPolarHBondContact O-CB 3.09Å; D322-T325 PolarHBondContact O-N 2.72Å; D322-T325 PolarHBondContact O-OG1 3.44Å; T325-T327 HydrophobicContact CG2-CG2 4.48Å; T325-T327 PolarHBondContact O-N 2.8Å; T325-L562 HydrophobicContact CG2-CB 4.31Å
326	I	84.9	Confident	84.1	Confident	39 Å²	39	51.1 Å²	51.1	20%	0.2	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-78.2	115.7	178.2	-57.7	170.7	0	0	0	107.5	V324 L329 L376 F377 T560 L561	V324-I326 PolarHBondContact O-N 2.84Å; I326-L329 HydrophobicContact CB-CD2 4.5Å; I326-L329 HydrophobicContact CG2-CD2 3.64Å; I326-L329 HydrophobicContact CG2-CG 4.46Å; I326-L376 HydrophobicContact CD1-CD2 4.43Å; I326-L376 HydrophobicContact CD1-CG 4.29Å; I326-L376 HydrophobicContact CG2-CD1 3.73Å; I326-L376 HydrophobicContact CG2-CG 4.33Å; I326-F377 HydrophobicContact CD1-CD1 4.43Å; I326-F377 HydrophobicContact CD1-CE1 3.85Å; I326-T560 CarbonylContact O-C 3.55Å; I326-T560 WeakPolarHBondContact O-CA 3.4Å; I326-T560 WeakPolarHBondContact O-CB 3.49Å; I326-L561 WeakPolarHBondContact CB-O 3.21Å; I326-L561 PolarHBondContact N-O 3.3Å; I326-L561 PolarHBondContact O-N 2.85Å
327	T	78.9	Confident	82.9	Confident	53 Å²	53	50.6 Å²	50.6	33%	0.325	27%	0.274	S	S	.	.			trans	-101.4	-5.9	-167.7	41.1	0	0	0	0	116.1	L321 T325 T560	L321-T327 HydrophobicContact CD2-CG2 3.7Å; T325-T327 HydrophobicContact CG2-CG2 4.48Å; T325-T327 PolarHBondContact O-N 2.8Å; T327-T560 HydrophobicContact CG2-CG2 4.12Å
328	N	80	Confident	81.8	Confident	92 Å²	92	48 Å²	48	49%	0.492	27%	0.268	S	S	.	.			trans	-129.2	73.1	-178.3	-72.6	-0.1	0	0	0	111.2
329	L	91.6	Very high	80.8	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	30%	0.299	C	S	.	.			trans	-83.7	-23.1	171.8	-65.1	-168	0	0	0	113.6	I326 W369 I371 L376 I537 F559 L561	I326-L329 HydrophobicContact CB-CD2 4.5Å; I326-L329 HydrophobicContact CG2-CD2 3.64Å; I326-L329 HydrophobicContact CG2-CG 4.46Å; L329-W369 PolarHBondContact O-NE1 2.96Å; L329-I371 HydrophobicContact CB-CD1 4.12Å; L329-I371 HydrophobicContact CD2-CD1 4.33Å; L329-L376 HydrophobicContact CD2-CD1 3.84Å; L329-L376 HydrophobicContact CD2-CD2 3.77Å; L329-L376 HydrophobicContact CD2-CG 4.4Å; L329-I537 HydrophobicContact CB-CD1 3.93Å; L329-F559 HydrophobicContact CB-CB 4.27Å; L329-F559 HydrophobicContact CB-CD1 4.01Å; L329-F559 HydrophobicContact CB-CG 4.29Å; L329-F559 HydrophobicContact CD1-CD1 3.65Å; L329-F559 HydrophobicContact CD1-CE1 3.83Å; L329-F559 HydrophobicContact CG-CD1 4.27Å; L329-F559 PolarHBondContact N-O 3.03Å; L329-L561 HydrophobicContact CD1-CB 3.64Å; L329-L561 HydrophobicContact CD1-CD2 4.45Å; L329-L561 HydrophobicContact CG-CB 4.49Å
330	L	93	Very high	80.3	Confident	18 Å²	18	54.9 Å²	54.9	9%	0.094	30%	0.303	C	S	.	.	S	Bend	trans	-82.1	160.9	169.3	-69.1	167.2	0	0	0	110.7	W359 F361 I537 L556 F559	L330-W359 HydrophobicContact CD2-CB 4.44Å; L330-F361 HydrophobicContact CD2-CE2 4.15Å; L330-F361 HydrophobicContact CD2-CZ 4.08Å; L330-I537 HydrophobicContact CD2-CD1 4.34Å; L330-I537 HydrophobicContact CD2-CG2 3.98Å; L330-L556 HydrophobicContact CD1-CB 3.99Å; L330-L556 HydrophobicContact CD2-CB 4.21Å; L330-F559 HydrophobicContact CD1-CB 3.87Å; L330-F559 HydrophobicContact CG-CB 3.85Å
331	P	86.2	Confident	79.8	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.019	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-61.5	145	175.3	3.3	2.8	0	0	0	111	P333 L337 P350 W359 W369	P331-P333 WeakPolarHBondContact O-CD 3.2Å; P331-L337 HydrophobicContact CB-CD1 3.68Å; P331-L337 HydrophobicContact CG-CD1 3.77Å; P331-P350 HydrophobicContact CG-CG 4.4Å; P331-W359 HydrophobicContact CB-CH2 3.93Å; P331-W359 HydrophobicContact CB-CZ2 3.55Å; P331-W359 HydrophobicContact CG-CD2 3.89Å; P331-W359 HydrophobicContact CG-CE3 4.11Å; P331-W359 HydrophobicContact CG-CH2 3.88Å; P331-W359 HydrophobicContact CG-CZ2 3.65Å; P331-W359 HydrophobicContact CG-CZ3 4.09Å; P331-W359 WeakPolarHBondContact O-CZ2 3.46Å; P331-W359 PolarHBondContact O-NE1 3.32Å; P331-W369 HydrophobicContact CB-CD2 4.44Å; P331-W369 HydrophobicContact CB-CE3 4.44Å; P331-W369 HydrophobicContact CB-CH2 3.78Å; P331-W369 HydrophobicContact CB-CZ2 3.74Å; P331-W369 HydrophobicContact CB-CZ3 4.12Å; P331-W369 HydrophobicContact CG-CD2 3.65Å; P331-W369 HydrophobicContact CG-CE3 3.76Å; P331-W369 HydrophobicContact CG-CG 4.26Å; P331-W369 HydrophobicContact CG-CH2 4.01Å; P331-W369 HydrophobicContact CG-CZ2 3.88Å; P331-W369 HydrophobicContact CG-CZ3 3.93Å
332	D	82.7	Confident	79.2	Confident	39 Å²	39	56.6 Å²	56.6	21%	0.209	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-75.5	118	179.2	-169.9	-37.2	0	0	0	109.3	E334 Y335 Q340	D332-E334 PolarHBondContact O-N 3.2Å; D332-E334 WeakPolarHBondContact OD1-CB 3.37Å; D332-E334 PolarHBondContact OD1-N 3.25Å; D332-Y335 HydrophobicContact CB-CD2 3.85Å; D332-Y335 VanDerWaalsContact CG-CD2 3.44Å; D332-Y335 PolarHBondContact O-N 2.97Å; D332-Q340 PolarHBondContact O-NE2 2.77Å
333	P	73.6	Confident	78.3	Confident	17 Å²	17	58.1 Å²	58.1	11%	0.11	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-11.8	-175.3	29.2	-33.3	0	0	0	114	P309 P331 Y335 L352 L357 W359	P309-P333 HydrophobicContact CG-CG 3.58Å; P331-P333 WeakPolarHBondContact O-CD 3.2Å; P333-Y335 VanDerWaalsContact C-N 3.3Å; P333-L352 HydrophobicContact CB-CD1 3.74Å; P333-L352 HydrophobicContact CB-CD2 3.51Å; P333-L352 HydrophobicContact CB-CG 4.31Å; P333-L357 HydrophobicContact CB-CD2 4.43Å; P333-L357 HydrophobicContact CG-CB 4.37Å; P333-W359 HydrophobicContact CB-CZ2 4.34Å
334	E	70.1	Confident	77.6	Confident	131 Å²	131	55.8 Å²	55.8	61%	0.612	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-16.4	173.1	-61.9	-174.4	-172.6	0	0	112.7	D332	D332-E334 PolarHBondContact O-N 3.2Å; D332-E334 WeakPolarHBondContact OD1-CB 3.37Å; D332-E334 PolarHBondContact OD1-N 3.25Å
335	Y	66.7	Low	77	Confident	153 Å²	153	54 Å²	54	60%	0.6	30%	0.3	S	S	*	.	S	Bend	trans	-110.2	150.7	-178.1	-64.4	-98.6	0	0	0	111.6	D332 P333 L337 Q340	D332-Y335 HydrophobicContact CB-CD2 3.85Å; D332-Y335 VanDerWaalsContact CG-CD2 3.44Å; D332-Y335 PolarHBondContact O-N 2.97Å; P333-Y335 VanDerWaalsContact C-N 3.3Å; Y335-L337 PolarHBondContact O-N 3.46Å; Y335-L337 VanDerWaalsContact O-N 3.15Å; Y335-Q340 PolarHBondContact O-NE2 3.22Å; Y335-Q340 VanDerWaalsContact O-NE2 3.15Å
336	D	59.7	Low	76.6	Confident	39 Å²	39	55.1 Å²	55.1	21%	0.209	31%	0.305	C	S	.	.			trans	-63.2	117.1	175.9	174	3	0	0	0	110.2	V338 N339 Q340	D336-V338 PolarHBondContact O-N 2.79Å; D336-V338 WeakPolarHBondContact OD1-CB 3.35Å; D336-V338 PolarHBondContact OD1-N 2.86Å; D336-N339 WeakPolarHBondContact CB-ND2 3.45Å; D336-N339 VanDerWaalsContact CG-ND2 3.3Å; D336-N339 PolarHBondContact O-N 3.22Å; D336-N339 PolarHBondContact OD2-ND2 2.97Å; D336-Q340 PolarHBondContact O-N 3.11Å
337	L	67.8	Low	76.4	Confident	6 Å²	6	55.7 Å²	55.7	3%	0.031	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-52	-36.9	179.7	-178.6	61.6	0	0	0	112.3	P331 Y335 N339 Q340 L341 P349 W359 W369	P331-L337 HydrophobicContact CB-CD1 3.68Å; P331-L337 HydrophobicContact CG-CD1 3.77Å; Y335-L337 PolarHBondContact O-N 3.46Å; Y335-L337 VanDerWaalsContact O-N 3.15Å; L337-N339 PolarHBondContact O-N 3.02Å; L337-Q340 PolarHBondContact O-N 3.09Å; L337-L341 WeakPolarHBondContact O-CG 3.34Å; L337-L341 PolarHBondContact O-N 3.12Å; L337-L341 VanDerWaalsContact O-N 3.07Å; L337-P349 HydrophobicContact CD2-CB 3.95Å; L337-P349 HydrophobicContact CD2-CG 4.16Å; L337-P349 HydrophobicContact CG-CB 4.48Å; L337-W359 HydrophobicContact CB-CH2 4.36Å; L337-W359 HydrophobicContact CD1-CH2 3.77Å; L337-W359 HydrophobicContact CD1-CZ3 3.98Å; L337-W359 HydrophobicContact CD2-CH2 4.04Å; L337-W359 HydrophobicContact CD2-CZ3 3.73Å; L337-W359 HydrophobicContact CG-CH2 4.28Å; L337-W359 HydrophobicContact CG-CZ3 4.4Å; L337-W369 HydrophobicContact CD1-CE3 4.38Å; L337-W369 HydrophobicContact CD1-CH2 4.38Å; L337-W369 HydrophobicContact CD1-CZ3 3.79Å
338	V	67.2	Low	76.5	Confident	61 Å²	61	54.1 Å²	54.1	37%	0.37	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-62.9	-33.1	-179.4	-176.7	0	0	0	0	111.5	D336 Q340 I802	D336-V338 PolarHBondContact O-N 2.79Å; D336-V338 WeakPolarHBondContact OD1-CB 3.35Å; D336-V338 PolarHBondContact OD1-N 2.86Å; V338-Q340 VanDerWaalsContact C-N 3.3Å; V338-I802 HydrophobicContact CG2-CB 4.07Å
339	N	70	Confident	76.5	Confident	126 Å²	126	50.3 Å²	50.3	67%	0.674	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-84.4	-3.8	176.4	-59.5	-63.4	0	0	0	113.5	D336 L337	D336-N339 WeakPolarHBondContact CB-ND2 3.45Å; D336-N339 VanDerWaalsContact CG-ND2 3.3Å; D336-N339 PolarHBondContact O-N 3.22Å; D336-N339 PolarHBondContact OD2-ND2 2.97Å; L337-N339 PolarHBondContact O-N 3.02Å
340	Q	81.1	Confident	76.2	Confident	35 Å²	35	50.3 Å²	50.3	16%	0.164	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-18.5	174.7	-60.2	-177.1	76.9	0	0	112.3	D332 Y335 D336 L337 V338 W369	D332-Q340 PolarHBondContact O-NE2 2.77Å; Y335-Q340 PolarHBondContact O-NE2 3.22Å; Y335-Q340 VanDerWaalsContact O-NE2 3.15Å; D336-Q340 PolarHBondContact O-N 3.11Å; L337-Q340 PolarHBondContact O-N 3.09Å; V338-Q340 VanDerWaalsContact C-N 3.3Å; Q340-W369 HydrophobicContact CB-CH2 3.85Å
341	L	77.9	Confident	75.4	Confident	50 Å²	50	52 Å²	52	26%	0.262	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-66.5	140.2	177.8	-74.2	166.9	0	0	0	112.1	L337 V345 P349 W369	L337-L341 WeakPolarHBondContact O-CG 3.34Å; L337-L341 PolarHBondContact O-N 3.12Å; L337-L341 VanDerWaalsContact O-N 3.07Å; L341-V345 HydrophobicContact CB-CG1 4.01Å; L341-V345 HydrophobicContact CD1-CG1 4.12Å; L341-V345 HydrophobicContact CD2-CG1 4.02Å; L341-V345 HydrophobicContact CG-CG1 4.27Å; L341-P349 HydrophobicContact CD1-CB 4.38Å; L341-P349 HydrophobicContact CD1-CG 4.41Å; L341-P349 HydrophobicContact CD2-CB 3.99Å; L341-W369 HydrophobicContact CD2-CE3 4.19Å; L341-W369 HydrophobicContact CD2-CZ3 3.7Å; L341-W369 HydrophobicContact CG-CZ3 4.34Å
342	I	77.3	Confident	74.9	Confident	53 Å²	53	52.1 Å²	52.1	27%	0.272	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-88.9	130.8	172.6	-51	170.5	0	0	0	107.9	P344 V345 E370 D372	I342-P344 CarbonylContact O-C 3.57Å; I342-V345 PolarHBondContact O-N 2.85Å; I342-E370 HydrophobicContact CD1-CB 4.32Å; I342-E370 HydrophobicContact CD1-CG 4.02Å; I342-D372 VanDerWaalsContact CD1-CA 3.49Å; I342-D372 HydrophobicContact CD1-CB 3.73Å; I342-D372 HydrophobicContact CG1-CB 4.19Å
343	G	70.2	Confident	74.3	Confident	68 Å²	68	50.4 Å²	50.4	70%	0.701	28%	0.276	S	S	*	.	S	Bend	trans	-92.7	138.2	176.1	0	0	0	0	0	112.1
344	P	74.1	Confident	73.6	Confident	81 Å²	81	49.9 Å²	49.9	53%	0.526	27%	0.273	S	S	.	.	S	Bend	cis	-75.2	142.2	-7.9	32.2	-34.2	0	0	0	111.7	I342	I342-P344 CarbonylContact O-C 3.57Å
345	V	74.6	Confident	73.3	Confident	57 Å²	57	45.1 Å²	45.1	35%	0.345	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-66.3	141.5	174.8	-64.2	0	0	0	0	110.6	L341 I342	L341-V345 HydrophobicContact CB-CG1 4.01Å; L341-V345 HydrophobicContact CD1-CG1 4.12Å; L341-V345 HydrophobicContact CD2-CG1 4.02Å; L341-V345 HydrophobicContact CG-CG1 4.27Å; I342-V345 PolarHBondContact O-N 2.85Å
346	L	80.5	Confident	73.4	Confident	35 Å²	35	39.3 Å²	39.3	18%	0.183	23%	0.233	C	C	.	.			trans	-72.3	-52.6	-179.2	-63.7	176.4	0	0	0	111.8	V368 E370 T536 Y541 T548	L346-V368 HydrophobicContact CB-CG1 3.88Å; L346-E370 HydrophobicContact CD1-CB 4.34Å; L346-E370 HydrophobicContact CD1-CG 4.37Å; L346-T536 HydrophobicContact CD1-CG2 3.79Å; L346-Y541 HydrophobicContact CD1-CD2 4.05Å; L346-Y541 HydrophobicContact CD2-CD2 3.8Å; L346-Y541 HydrophobicContact CD2-CE2 3.7Å; L346-T548 HydrophobicContact CB-CG2 3.94Å; L346-T548 HydrophobicContact CD1-CG2 4.07Å
347	N	81.8	Confident	74.3	Confident	51 Å²	51	39.6 Å²	39.6	27%	0.273	24%	0.235	S	C	.	.	S	Bend	trans	-148.7	-162.8	176.1	-68.4	84.2	0	0	0	108.9	S366 V368 T548	N347-S366 WeakPolarHBondContact CB-O 3.3Å; N347-V368 HydrophobicContact CB-CG1 3.85Å; N347-T548 VanDerWaalsContact CG-OG1 3.27Å; N347-T548 WeakPolarHBondContact OD1-CG2 3.36Å; N347-T548 PolarHBondContact OD1-OG1 3.28Å
348	S	80.1	Confident	75.1	Confident	19 Å²	19	39.3 Å²	39.3	13%	0.133	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-54.1	139	173.3	-53	0	0	0	0	111.7	L365 T367 V368	S348-L365 WeakPolarHBondContact CB-O 3.4Å; S348-L365 PolarHBondContact OG-O 2.89Å; S348-T367 CarbonylContact O-C 3.41Å; S348-T367 VanDerWaalsContact O-CA 3.23Å; S348-T367 WeakPolarHBondContact O-CA 3.43Å; S348-V368 PolarHBondContact O-N 2.82Å
349	P	80.7	Confident	76.1	Confident	13 Å²	13	36.6 Å²	36.6	8%	0.084	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-74.5	159.6	171.2	34.2	-36.9	0	0	0	111.3	L337 L341	L337-P349 HydrophobicContact CD2-CB 3.95Å; L337-P349 HydrophobicContact CD2-CG 4.16Å; L337-P349 HydrophobicContact CG-CB 4.48Å; L341-P349 HydrophobicContact CD1-CB 4.38Å; L341-P349 HydrophobicContact CD1-CG 4.41Å; L341-P349 HydrophobicContact CD2-CB 3.99Å
350	P	85.2	Confident	76.9	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.013	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-64.5	154.7	172.9	29	-36.5	0	0	0	112.2	P331 W359 R360 F361 V368 W369	P331-P350 HydrophobicContact CG-CG 4.4Å; P350-W359 HydrophobicContact CB-CB 4.38Å; P350-W359 HydrophobicContact CB-CE3 4.04Å; P350-W359 HydrophobicContact CG-CD2 4.48Å; P350-W359 HydrophobicContact CG-CE3 3.84Å; P350-W359 HydrophobicContact CG-CZ3 4.41Å; P350-W359 WeakPolarHBondContact O-CZ3 3.32Å; P350-R360 WeakPolarHBondContact CA-O 3.43Å; P350-R360 WeakPolarHBondContact CB-O 3.42Å; P350-F361 HydrophobicContact CB-CD1 3.98Å; P350-F361 HydrophobicContact CB-CD2 4.29Å; P350-F361 HydrophobicContact CB-CE1 3.67Å; P350-F361 HydrophobicContact CB-CE2 3.96Å; P350-F361 HydrophobicContact CB-CG 4.29Å; P350-F361 HydrophobicContact CB-CZ 3.65Å; P350-F361 HydrophobicContact CG-CE1 3.94Å; P350-F361 HydrophobicContact CG-CZ 3.83Å; P350-V368 WeakPolarHBondContact CD-O 3.42Å; P350-W369 HydrophobicContact CG-CB 4.17Å
351	R	76.9	Confident	77.3	Confident	53 Å²	53	31.3 Å²	31.3	20%	0.2	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.3	-178.6	-171.5	-159.6	-151.5	157.1	-172.2	110.3	I353 R360 E894 D931	R351-I353 PolarHBondContact O-N 3.41Å; R351-R360 HydrophobicContact CB-CB 4.28Å; R351-R360 PolarHBondContact N-O 2.89Å; R351-R360 WeakPolarHBondContact O-CB 3.47Å; R351-R360 PolarHBondContact O-N 2.88Å; R351-E894 IonicContact CZ-OE1 2.64Å; R351-E894 IonicContact CZ-OE2 3.74Å; R351-E894 IonicContact NE-OE1 3.88Å; R351-E894 PolarHBondContact NE-OE1 3.27Å; R351-E894 IonicContact NE-OE2 3.43Å; R351-E894 PolarHBondContact NE-OE2 2.8Å; R351-E894 IonicContact NH1-OE1 2.71Å; R351-E894 PolarHBondContact NH1-OE1 3.39Å; R351-E894 IonicContact NH1-OE2 2.67Å; R351-E894 PolarHBondContact NH1-OE2 2.9Å; R351-E894 IonicContact NH2-OE2 3.34Å; R351-D931 IonicContact NH2-OD1 2.77Å
352	L	74.1	Confident	77.6	Confident	5 Å²	5	30.4 Å²	30.4	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	118.1	172.4	174.3	59.4	0	0	0	110.9	P333 P354 L357 A358 W359 R803	P333-L352 HydrophobicContact CB-CD1 3.74Å; P333-L352 HydrophobicContact CB-CD2 3.51Å; P333-L352 HydrophobicContact CB-CG 4.31Å; L352-P354 WeakPolarHBondContact O-CD 3.46Å; L352-L357 VanDerWaalsContact CD1-C 3.49Å; L352-A358 WeakPolarHBondContact CD1-O 3.48Å; L352-W359 HydrophobicContact CB-CD2 4.32Å; L352-W359 HydrophobicContact CB-CE3 3.87Å; L352-W359 HydrophobicContact CB-CH2 3.69Å; L352-W359 HydrophobicContact CB-CZ2 4.13Å; L352-W359 HydrophobicContact CB-CZ3 3.56Å; L352-W359 HydrophobicContact CD1-CD2 4.42Å; L352-W359 HydrophobicContact CD1-CZ2 4.27Å; L352-W359 HydrophobicContact CD2-CH2 4.32Å; L352-W359 HydrophobicContact CD2-CZ2 4.3Å; L352-W359 HydrophobicContact CG-CH2 4.45Å; L352-W359 HydrophobicContact CG-CZ2 4.48Å; L352-R803 PolarHBondContact O-NH2 3.06Å
353	I	71.5	Confident	77.9	Confident	3 Å²	3	29.5 Å²	29.5	2%	0.015	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	111.5	168.4	-54.5	172.7	0	0	0	108	R351 L356 L357 A358 R360 D555 M882	R351-I353 PolarHBondContact O-N 3.41Å; I353-L356 HydrophobicContact CG2-CB 4.28Å; I353-L356 HydrophobicContact CG2-CD1 4.35Å; I353-L356 HydrophobicContact CG2-CG 4.3Å; I353-L357 VanDerWaalsContact O-CA 3.24Å; I353-L357 WeakPolarHBondContact O-CA 3.46Å; I353-L357 PolarHBondContact O-N 3.02Å; I353-A358 WeakPolarHBondContact CB-O 3.34Å; I353-A358 PolarHBondContact N-O 3.38Å; I353-A358 PolarHBondContact O-N 3.07Å; I353-R360 HydrophobicContact CD1-CB 4.17Å; I353-R360 HydrophobicContact CG1-CB 4.1Å; I353-D555 HydrophobicContact CD1-CB 4.08Å; I353-D555 VanDerWaalsContact CD1-CG 3.42Å; I353-D555 WeakPolarHBondContact CD1-OD1 3.48Å; I353-M882 HydrophobicContact CG2-CE 3.7Å; I353-M882 HydrophobicContact CG2-SD 3.92Å
354	P	58.2	Low	78.4	Confident	7 Å²	7	29.9 Å²	29.9	5%	0.045	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-38	-170.3	-16.8	28.4	0	0	0	115.2	L352 L356 L357 F788 W790	L352-P354 WeakPolarHBondContact O-CD 3.46Å; P354-L356 PolarHBondContact O-N 2.87Å; P354-L357 WeakPolarHBondContact O-CD2 3.39Å; P354-L357 PolarHBondContact O-N 2.91Å; P354-F788 HydrophobicContact CB-CD1 3.3Å; P354-F788 HydrophobicContact CB-CE1 3.03Å; P354-F788 HydrophobicContact CB-CG 4.16Å; P354-F788 HydrophobicContact CB-CZ 3.76Å; P354-F788 HydrophobicContact CG-CD1 3.67Å; P354-F788 HydrophobicContact CG-CE1 3.51Å; P354-W790 HydrophobicContact CG-CD2 3.58Å; P354-W790 VanDerWaalsContact CG-CE2 3.48Å; P354-W790 HydrophobicContact CG-CE3 3.91Å; P354-W790 HydrophobicContact CG-CG 4.04Å; P354-W790 HydrophobicContact CG-CH2 3.99Å; P354-W790 HydrophobicContact CG-CZ2 3.69Å; P354-W790 HydrophobicContact CG-CZ3 4.1Å
355	S	62.6	Low	78.6	Confident	31 Å²	31	27.3 Å²	27.3	22%	0.217	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.1	-176.8	60.6	0	0	0	0	113.5	M882	S355-M882 VanDerWaalsContact OG-CE 3.22Å; S355-M882 WeakPolarHBondContact OG-CE 3.4Å; S355-M882 PolarHBondContact OG-SD 2.91Å; S355-M882 VanDerWaalsContact OG-SD 3.36Å
356	L	70	Confident	79.1	Confident	30 Å²	30	26.6 Å²	26.6	16%	0.157	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-11.6	177.7	-59.5	179.2	0	0	0	112.9	D308 I353 P354 A358 W479	D308-L356 WeakPolarHBondContact CA-O 3.46Å; I353-L356 HydrophobicContact CG2-CB 4.28Å; I353-L356 HydrophobicContact CG2-CD1 4.35Å; I353-L356 HydrophobicContact CG2-CG 4.3Å; P354-L356 PolarHBondContact O-N 2.87Å; L356-A358 HydrophobicContact CB-CB 3.97Å; L356-A358 PolarHBondContact O-N 2.93Å; L356-W479 HydrophobicContact CD1-CZ2 4.12Å
357	L	77.5	Confident	79.4	Confident	45 Å²	45	25.1 Å²	25.1	24%	0.236	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	38.7	-167.4	-63	175.5	0	0	0	113.3	P309 P333 L352 I353 P354	P309-L357 HydrophobicContact CG-CB 4.01Å; P333-L357 HydrophobicContact CB-CD2 4.43Å; P333-L357 HydrophobicContact CG-CB 4.37Å; L352-L357 VanDerWaalsContact CD1-C 3.49Å; I353-L357 VanDerWaalsContact O-CA 3.24Å; I353-L357 WeakPolarHBondContact O-CA 3.46Å; I353-L357 PolarHBondContact O-N 3.02Å; P354-L357 WeakPolarHBondContact O-CD2 3.39Å; P354-L357 PolarHBondContact O-N 2.91Å
358	A	85.2	Confident	79.9	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	160.6	-175.7	0	0	0	0	0	112.2	L352 I353 L356 W479 T557	L352-A358 WeakPolarHBondContact CD1-O 3.48Å; I353-A358 WeakPolarHBondContact CB-O 3.34Å; I353-A358 PolarHBondContact N-O 3.38Å; I353-A358 PolarHBondContact O-N 3.07Å; L356-A358 HydrophobicContact CB-CB 3.97Å; L356-A358 PolarHBondContact O-N 2.93Å; A358-W479 HydrophobicContact CB-CH2 3.9Å; A358-W479 HydrophobicContact CB-CZ2 3.97Å; A358-T557 HydrophobicContact CB-CG2 4.37Å
359	W	89.5	Confident	80.5	Confident	5 Å²	5	22.8 Å²	22.8	2%	0.019	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.2	-171.6	-68.1	98.7	0	0	0	112.7	L330 P331 P333 L337 P350 L352 F361 D555 L556	L330-W359 HydrophobicContact CD2-CB 4.44Å; P331-W359 HydrophobicContact CB-CH2 3.93Å; P331-W359 HydrophobicContact CB-CZ2 3.55Å; P331-W359 HydrophobicContact CG-CD2 3.89Å; P331-W359 HydrophobicContact CG-CE3 4.11Å; P331-W359 HydrophobicContact CG-CH2 3.88Å; P331-W359 HydrophobicContact CG-CZ2 3.65Å; P331-W359 HydrophobicContact CG-CZ3 4.09Å; P331-W359 WeakPolarHBondContact O-CZ2 3.46Å; P331-W359 PolarHBondContact O-NE1 3.32Å; P333-W359 HydrophobicContact CB-CZ2 4.34Å; L337-W359 HydrophobicContact CB-CH2 4.36Å; L337-W359 HydrophobicContact CD1-CH2 3.77Å; L337-W359 HydrophobicContact CD1-CZ3 3.98Å; L337-W359 HydrophobicContact CD2-CH2 4.04Å; L337-W359 HydrophobicContact CD2-CZ3 3.73Å; L337-W359 HydrophobicContact CG-CH2 4.28Å; L337-W359 HydrophobicContact CG-CZ3 4.4Å; P350-W359 HydrophobicContact CB-CB 4.38Å; P350-W359 HydrophobicContact CB-CE3 4.04Å; P350-W359 HydrophobicContact CG-CD2 4.48Å; P350-W359 HydrophobicContact CG-CE3 3.84Å; P350-W359 HydrophobicContact CG-CZ3 4.41Å; P350-W359 WeakPolarHBondContact O-CZ3 3.32Å; L352-W359 HydrophobicContact CB-CD2 4.32Å; L352-W359 HydrophobicContact CB-CE3 3.87Å; L352-W359 HydrophobicContact CB-CH2 3.69Å; L352-W359 HydrophobicContact CB-CZ2 4.13Å; L352-W359 HydrophobicContact CB-CZ3 3.56Å; L352-W359 HydrophobicContact CD1-CD2 4.42Å; L352-W359 HydrophobicContact CD1-CZ2 4.27Å; L352-W359 HydrophobicContact CD2-CH2 4.32Å; L352-W359 HydrophobicContact CD2-CZ2 4.3Å; L352-W359 HydrophobicContact CG-CH2 4.45Å; L352-W359 HydrophobicContact CG-CZ2 4.48Å; W359-F361 HydrophobicContact CB-CE2 3.95Å; W359-F361 WeakPolarHBondContact O-CD2 3.41Å; W359-D555 CarbonylContact O-C 3.51Å; W359-D555 VanDerWaalsContact O-CA 3.31Å; W359-D555 WeakPolarHBondContact O-CA 3.47Å; W359-L556 PolarHBondContact N-O 2.91Å; W359-L556 PolarHBondContact O-N 3.45Å
360	R	85	Confident	81	Confident	48 Å²	48	23.3 Å²	23.3	18%	0.181	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	129.7	176	180	158.4	-66.8	-179.3	-7.9	111.7	P350 R351 I353 H399 D555	P350-R360 WeakPolarHBondContact CA-O 3.43Å; P350-R360 WeakPolarHBondContact CB-O 3.42Å; R351-R360 HydrophobicContact CB-CB 4.28Å; R351-R360 PolarHBondContact N-O 2.89Å; R351-R360 WeakPolarHBondContact O-CB 3.47Å; R351-R360 PolarHBondContact O-N 2.88Å; I353-R360 HydrophobicContact CD1-CB 4.17Å; I353-R360 HydrophobicContact CG1-CB 4.1Å; R360-H399 PolarHBondContact NE-CE1 3.09Å; R360-D555 WeakPolarHBondContact CA-OD1 3.42Å; R360-D555 WeakPolarHBondContact CB-OD1 3.44Å; R360-D555 VanDerWaalsContact CG-OD1 3.3Å; R360-D555 WeakPolarHBondContact CG-OD1 3.11Å; R360-D555 IonicContact CZ-OD1 3.86Å; R360-D555 IonicContact CZ-OD2 2.79Å; R360-D555 IonicContact NE-OD1 2.87Å; R360-D555 PolarHBondContact NE-OD1 2.96Å; R360-D555 IonicContact NE-OD2 3.63Å; R360-D555 IonicContact NH2-OD1 3.72Å; R360-D555 PolarHBondContact NH2-OD1 2.85Å; R360-D555 IonicContact NH2-OD2 3.18Å; R360-D555 PolarHBondContact NH2-OD2 2.78Å
361	F	90.8	Very high	81.2	Confident	1 Å²	1	23.8 Å²	23.8	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.2	171.4	-64.8	-97.7	0	0	0	109.1	L330 P350 W359 T367 W369 I537 L552 G554 L556	L330-F361 HydrophobicContact CD2-CE2 4.15Å; L330-F361 HydrophobicContact CD2-CZ 4.08Å; P350-F361 HydrophobicContact CB-CD1 3.98Å; P350-F361 HydrophobicContact CB-CD2 4.29Å; P350-F361 HydrophobicContact CB-CE1 3.67Å; P350-F361 HydrophobicContact CB-CE2 3.96Å; P350-F361 HydrophobicContact CB-CG 4.29Å; P350-F361 HydrophobicContact CB-CZ 3.65Å; P350-F361 HydrophobicContact CG-CE1 3.94Å; P350-F361 HydrophobicContact CG-CZ 3.83Å; W359-F361 HydrophobicContact CB-CE2 3.95Å; W359-F361 WeakPolarHBondContact O-CD2 3.41Å; F361-T367 WeakPolarHBondContact CA-OG1 3.3Å; F361-W369 HydrophobicContact CE1-CB 4.16Å; F361-W369 HydrophobicContact CZ-CB 4.27Å; F361-I537 HydrophobicContact CE1-CG2 4.18Å; F361-I537 WeakPolarHBondContact CE1-O 3.38Å; F361-I537 HydrophobicContact CE2-CG2 4.36Å; F361-I537 HydrophobicContact CZ-CG2 3.73Å; F361-L552 CarbonylContact C-O 3.57Å; F361-L552 HydrophobicContact CB-CB 4.06Å; F361-L552 HydrophobicContact CB-CD2 4.28Å; F361-L552 HydrophobicContact CB-CG 4.26Å; F361-L552 WeakPolarHBondContact CB-O 3.33Å; F361-L552 HydrophobicContact CD2-CD2 4.31Å; F361-L552 HydrophobicContact CG-CD2 4.31Å; F361-G554 PolarHBondContact N-O 3.49Å; F361-G554 PolarHBondContact O-N 3.2Å; F361-G554 VanDerWaalsContact O-N 3.09Å; F361-L556 HydrophobicContact CD2-CB 4.46Å; F361-L556 HydrophobicContact CD2-CD1 4.11Å; F361-L556 HydrophobicContact CD2-CG 4.38Å; F361-L556 HydrophobicContact CE2-CB 4.06Å; F361-L556 HydrophobicContact CE2-CD1 3.79Å; F361-L556 HydrophobicContact CE2-CG 4.27Å; F361-L556 HydrophobicContact CZ-CD1 4.39Å
362	D	82.7	Confident	81.6	Confident	32 Å²	32	24.2 Å²	24.2	17%	0.171	13%	0.134	C	C	.	.			trans	-133	118.9	-176.6	-173.6	-19.6	0	0	0	109.8	T364 L365 S366 T367	D362-T364 VanDerWaalsContact C-N 3.25Å; D362-T364 PolarHBondContact O-N 2.92Å; D362-T364 WeakPolarHBondContact OD1-CB 3.42Å; D362-T364 WeakPolarHBondContact OD1-CG2 3.31Å; D362-T364 PolarHBondContact OD1-N 2.87Å; D362-T364 PolarHBondContact OD1-OG1 2.98Å; D362-T364 PolarHBondContact OD2-OG1 3.2Å; D362-T364 VanDerWaalsContact OD2-OG1 3.13Å; D362-L365 PolarHBondContact O-N 2.79Å; D362-S366 PolarHBondContact O-N 2.9Å; D362-T367 HydrophobicContact CB-CG2 4.32Å; D362-T367 PolarHBondContact N-OG1 2.87Å; D362-T367 PolarHBondContact O-N 2.79Å; D362-T367 VanDerWaalsContact O-N 3.15Å; D362-T367 PolarHBondContact O-OG1 2.86Å
363	P	84.4	Confident	81.9	Confident	33 Å²	33	24.4 Å²	24.4	21%	0.214	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-65.9	-26.7	178.1	28.1	-36.2	0	0	0	113.2	L365 S366 H551 R553	P363-L365 PolarHBondContact O-N 2.86Å; P363-S366 PolarHBondContact O-N 2.83Å; P363-H551 HydrophobicContact CB-CB 3.77Å; P363-R553 HydrophobicContact CG-CB 4.09Å
364	T	80.4	Confident	82.1	Confident	76 Å²	76	27 Å²	27	47%	0.466	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-68.4	-25.5	179.4	72	0	0	0	0	112.5	D362	D362-T364 VanDerWaalsContact C-N 3.25Å; D362-T364 PolarHBondContact O-N 2.92Å; D362-T364 WeakPolarHBondContact OD1-CB 3.42Å; D362-T364 WeakPolarHBondContact OD1-CG2 3.31Å; D362-T364 PolarHBondContact OD1-N 2.87Å; D362-T364 PolarHBondContact OD1-OG1 2.98Å; D362-T364 PolarHBondContact OD2-OG1 3.2Å; D362-T364 VanDerWaalsContact OD2-OG1 3.13Å
365	L	79.1	Confident	83	Confident	28 Å²	28	35 Å²	35	15%	0.147	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-97.9	1.7	172.5	-59.1	-177.1	0	0	0	112.6	S348 D362 P363 T367 V933	S348-L365 WeakPolarHBondContact CB-O 3.4Å; S348-L365 PolarHBondContact OG-O 2.89Å; D362-L365 PolarHBondContact O-N 2.79Å; P363-L365 PolarHBondContact O-N 2.86Å; L365-T367 VanDerWaalsContact C-N 3.26Å; L365-T367 HydrophobicContact CB-CG2 3.87Å; L365-T367 PolarHBondContact O-N 3.4Å; L365-V933 WeakPolarHBondContact CD2-O 3.4Å
366	S	84.6	Confident	83.8	Confident	41 Å²	41	35.3 Å²	35.3	29%	0.287	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	42.9	-174.4	-55.6	0	0	0	0	112.5	N347 D362 P363 H551	N347-S366 WeakPolarHBondContact CB-O 3.3Å; D362-S366 PolarHBondContact O-N 2.9Å; P363-S366 PolarHBondContact O-N 2.83Å; S366-H551 VanDerWaalsContact CA-CD2 3.46Å; S366-H551 WeakPolarHBondContact CA-CD2 3.42Å; S366-H551 PolarHBondContact O-CD2 2.9Å; S366-H551 PolarHBondContact O-NE2 2.03Å
367	T	87.1	Confident	84	Confident	4 Å²	4	35 Å²	35	3%	0.025	18%	0.176	C	C	.	.			trans	-67	137.1	-171.3	60.4	0	0	0	0	113.1	S348 F361 D362 L365	S348-T367 CarbonylContact O-C 3.41Å; S348-T367 VanDerWaalsContact O-CA 3.23Å; S348-T367 WeakPolarHBondContact O-CA 3.43Å; F361-T367 WeakPolarHBondContact CA-OG1 3.3Å; D362-T367 HydrophobicContact CB-CG2 4.32Å; D362-T367 PolarHBondContact N-OG1 2.87Å; D362-T367 PolarHBondContact O-N 2.79Å; D362-T367 VanDerWaalsContact O-N 3.15Å; D362-T367 PolarHBondContact O-OG1 2.86Å; L365-T367 VanDerWaalsContact C-N 3.26Å; L365-T367 HydrophobicContact CB-CG2 3.87Å; L365-T367 PolarHBondContact O-N 3.4Å
368	V	91.5	Very high	83.7	Confident	7 Å²	7	39.7 Å²	39.7	4%	0.042	20%	0.202	C	C	.	.			trans	-145.1	148.6	176.7	65.8	0	0	0	0	110.8	L346 N347 S348 P350 T536 A539 T548	L346-V368 HydrophobicContact CB-CG1 3.88Å; N347-V368 HydrophobicContact CB-CG1 3.85Å; S348-V368 PolarHBondContact O-N 2.82Å; P350-V368 WeakPolarHBondContact CD-O 3.42Å; V368-T536 HydrophobicContact CG2-CG2 4.02Å; V368-A539 HydrophobicContact CB-CB 3.93Å; V368-A539 HydrophobicContact CG2-CB 3.75Å; V368-T548 HydrophobicContact CB-CG2 4.41Å; V368-T548 HydrophobicContact CG1-CG2 4.25Å; V368-T548 HydrophobicContact CG2-CG2 4.2Å
369	W	93.4	Very high	82.6	Confident	15 Å²	15	45.7 Å²	45.7	6%	0.057	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123	169	177.5	-118.7	0	0	0	110.2	L329 P331 L337 Q340 L341 P350 F361 T536 I537	L329-W369 PolarHBondContact O-NE1 2.96Å; P331-W369 HydrophobicContact CB-CD2 4.44Å; P331-W369 HydrophobicContact CB-CE3 4.44Å; P331-W369 HydrophobicContact CB-CH2 3.78Å; P331-W369 HydrophobicContact CB-CZ2 3.74Å; P331-W369 HydrophobicContact CB-CZ3 4.12Å; P331-W369 HydrophobicContact CG-CD2 3.65Å; P331-W369 HydrophobicContact CG-CE3 3.76Å; P331-W369 HydrophobicContact CG-CG 4.26Å; P331-W369 HydrophobicContact CG-CH2 4.01Å; P331-W369 HydrophobicContact CG-CZ2 3.88Å; P331-W369 HydrophobicContact CG-CZ3 3.93Å; L337-W369 HydrophobicContact CD1-CE3 4.38Å; L337-W369 HydrophobicContact CD1-CH2 4.38Å; L337-W369 HydrophobicContact CD1-CZ3 3.79Å; Q340-W369 HydrophobicContact CB-CH2 3.85Å; L341-W369 HydrophobicContact CD2-CE3 4.19Å; L341-W369 HydrophobicContact CD2-CZ3 3.7Å; L341-W369 HydrophobicContact CG-CZ3 4.34Å; P350-W369 HydrophobicContact CG-CB 4.17Å; F361-W369 HydrophobicContact CE1-CB 4.16Å; F361-W369 HydrophobicContact CZ-CB 4.27Å; W369-T536 CarbonylContact O-C 3.09Å; W369-T536 WeakPolarHBondContact O-CA 3.13Å; W369-I537 HydrophobicContact CB-CB 4.33Å; W369-I537 PolarHBondContact N-O 3.1Å; W369-I537 PolarHBondContact O-N 2.92Å
370	E	91.2	Very high	81.2	Confident	24 Å²	24	49.2 Å²	49.2	11%	0.112	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.1	173.6	-167.3	176.8	-165.7	0	0	109.4	I342 L346 R534 T536	I342-E370 HydrophobicContact CD1-CB 4.32Å; I342-E370 HydrophobicContact CD1-CG 4.02Å; L346-E370 HydrophobicContact CD1-CB 4.34Å; L346-E370 HydrophobicContact CD1-CG 4.37Å; E370-R534 WeakPolarHBondContact OE1-CD 3.14Å; E370-R534 WeakPolarHBondContact OE1-CG 3.49Å; E370-R534 IonicContact OE1-CZ 2.69Å; E370-R534 IonicContact OE1-NE 2.9Å; E370-R534 PolarHBondContact OE1-NE 3.42Å; E370-R534 IonicContact OE1-NH2 2.63Å; E370-T536 HydrophobicContact CB-CG2 4.5Å; E370-T536 HydrophobicContact CG-CG2 4.43Å
371	I	89.7	Confident	79.7	Confident	11 Å²	11	57.2 Å²	57.2	6%	0.056	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	131	-179.1	-46.7	178.1	0	0	0	109.4	L329 A373 L376 F418 L535 I537	L329-I371 HydrophobicContact CB-CD1 4.12Å; L329-I371 HydrophobicContact CD2-CD1 4.33Å; I371-A373 PolarHBondContact O-N 2.96Å; I371-L376 HydrophobicContact CG2-CD1 4.22Å; I371-L376 HydrophobicContact CG2-CD2 3.99Å; I371-F418 HydrophobicContact CD1-CE2 4.38Å; I371-L535 HydrophobicContact CB-CB 4.04Å; I371-L535 HydrophobicContact CD1-CB 4.17Å; I371-L535 HydrophobicContact CG1-CB 4.29Å; I371-L535 PolarHBondContact N-O 3.37Å; I371-I537 HydrophobicContact CD1-CD1 3.75Å; I371-I537 HydrophobicContact CD1-CG1 4.07Å; I371-I537 HydrophobicContact CG1-CD1 4.4Å
372	D	84.8	Confident	77.9	Confident	62 Å²	62	64.9 Å²	64.9	33%	0.332	32%	0.32	S	S	.	.			trans	-72.9	89.8	177.4	-178.2	-9.2	0	0	0	109.8	I342 D374 R375 L376	I342-D372 VanDerWaalsContact CD1-CA 3.49Å; I342-D372 HydrophobicContact CD1-CB 3.73Å; I342-D372 HydrophobicContact CG1-CB 4.19Å; D372-D374 VanDerWaalsContact C-N 3.27Å; D372-D374 PolarHBondContact O-N 3.21Å; D372-D374 PolarHBondContact OD1-N 3.16Å; D372-R375 HydrophobicContact CB-CB 3.94Å; D372-R375 PolarHBondContact O-N 3.25Å; D372-R375 PolarHBondContact OD1-N 2.93Å; D372-R375 WeakPolarHBondContact OD2-CB 3.5Å; D372-L376 VanDerWaalsContact O-CB 3.3Å; D372-L376 WeakPolarHBondContact O-CB 3.47Å; D372-L376 PolarHBondContact O-N 2.86Å
373	A	79.9	Confident	76.9	Confident	10 Å²	10	64.9 Å²	64.9	8%	0.083	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-34.7	-177.9	0	0	0	0	0	113	I371 L376 F377 P533 L535	I371-A373 PolarHBondContact O-N 2.96Å; A373-L376 PolarHBondContact O-N 2.92Å; A373-F377 HydrophobicContact CB-CD2 4.47Å; A373-F377 HydrophobicContact CB-CE2 4.46Å; A373-F377 VanDerWaalsContact O-CD2 3.24Å; A373-F377 WeakPolarHBondContact O-CD2 3.43Å; A373-F377 PolarHBondContact O-N 3.1Å; A373-F377 VanDerWaalsContact O-N 3.09Å; A373-P533 HydrophobicContact CB-CG 4.27Å; A373-L535 HydrophobicContact CB-CD1 4.21Å
374	D	76.5	Confident	76.2	Confident	58 Å²	58	63.8 Å²	63.8	31%	0.31	31%	0.314	S	S	.	.	H	α-helix	trans	-64.5	-45.8	177.2	-76.6	-26.7	0	0	0	110	D372 N378 N379 K532	D372-D374 VanDerWaalsContact C-N 3.27Å; D372-D374 PolarHBondContact O-N 3.21Å; D372-D374 PolarHBondContact OD1-N 3.16Å; D374-N378 PolarHBondContact O-N 3Å; D374-N379 PolarHBondContact O-N 3.39Å; D374-K532 WeakPolarHBondContact OD2-CE 3.46Å; D374-K532 IonicContact OD2-NZ 3.86Å; D374-K532 PolarHBondContact OD2-NZ 3.42Å
375	R	77.7	Confident	76.1	Confident	173 Å²	173	65.3 Å²	65.3	65%	0.653	31%	0.314	S	S	*	.	H	α-helix	trans	-68.6	-42.1	174.9	-177.5	178.2	177.3	-170.3	-4.1	112.5	D372 F377 N378	D372-R375 HydrophobicContact CB-CB 3.94Å; D372-R375 PolarHBondContact O-N 3.25Å; D372-R375 PolarHBondContact OD1-N 2.93Å; D372-R375 WeakPolarHBondContact OD2-CB 3.5Å; R375-F377 VanDerWaalsContact C-N 3.28Å; R375-F377 PolarHBondContact O-N 3.38Å; R375-N378 PolarHBondContact O-N 3.04Å
376	L	78.4	Confident	76.4	Confident	38 Å²	38	64.2 Å²	64.2	20%	0.199	31%	0.308	C	S	.	.	H	α-helix	trans	-60.6	-38.9	-177.2	-160.6	71.6	0	0	0	112	I326 L329 I371 D372 A373	I326-L376 HydrophobicContact CD1-CD2 4.43Å; I326-L376 HydrophobicContact CD1-CG 4.29Å; I326-L376 HydrophobicContact CG2-CD1 3.73Å; I326-L376 HydrophobicContact CG2-CG 4.33Å; L329-L376 HydrophobicContact CD2-CD1 3.84Å; L329-L376 HydrophobicContact CD2-CD2 3.77Å; L329-L376 HydrophobicContact CD2-CG 4.4Å; I371-L376 HydrophobicContact CG2-CD1 4.22Å; I371-L376 HydrophobicContact CG2-CD2 3.99Å; D372-L376 VanDerWaalsContact O-CB 3.3Å; D372-L376 WeakPolarHBondContact O-CB 3.47Å; D372-L376 PolarHBondContact O-N 2.86Å; A373-L376 PolarHBondContact O-N 2.92Å
377	F	75.7	Confident	76.1	Confident	24 Å²	24	65.1 Å²	65.1	11%	0.105	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	22.9	-178.9	-53.7	-53.7	0	0	0	113.3	I326 A373 R375 N379 T380 V384 R563	I326-F377 HydrophobicContact CD1-CD1 4.43Å; I326-F377 HydrophobicContact CD1-CE1 3.85Å; A373-F377 HydrophobicContact CB-CD2 4.47Å; A373-F377 HydrophobicContact CB-CE2 4.46Å; A373-F377 VanDerWaalsContact O-CD2 3.24Å; A373-F377 WeakPolarHBondContact O-CD2 3.43Å; A373-F377 PolarHBondContact O-N 3.1Å; A373-F377 VanDerWaalsContact O-N 3.09Å; R375-F377 VanDerWaalsContact C-N 3.28Å; R375-F377 PolarHBondContact O-N 3.38Å; F377-N379 VanDerWaalsContact C-N 3.3Å; F377-N379 PolarHBondContact O-N 3.19Å; F377-T380 WeakPolarHBondContact O-CB 3.26Å; F377-T380 WeakPolarHBondContact O-CG2 3.3Å; F377-T380 PolarHBondContact O-N 3.11Å; F377-T380 PolarHBondContact O-OG1 2.94Å; F377-V384 HydrophobicContact CD2-CG2 4.39Å; F377-V384 HydrophobicContact CE1-CG2 4.13Å; F377-V384 HydrophobicContact CE2-CG2 3.39Å; F377-V384 HydrophobicContact CZ-CG2 3.23Å; F377-R563 VanDerWaalsContact CD1-NH1 3.28Å; F377-R563 VanDerWaalsContact CE1-NH1 3.27Å
378	N	71.1	Confident	76.1	Confident	144 Å²	144	66 Å²	66	77%	0.77	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	38.9	175.1	-74.2	-44	0	0	0	114.5	D374 R375 T380	D374-N378 PolarHBondContact O-N 3Å; R375-N378 PolarHBondContact O-N 3.04Å; N378-T380 PolarHBondContact O-N 2.79Å
379	N	61	Low	76	Confident	126 Å²	126	67 Å²	67	67%	0.674	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	16.7	-171.7	-65.7	-37.6	0	0	0	114.6	D374 F377 R381	D374-N379 PolarHBondContact O-N 3.39Å; F377-N379 VanDerWaalsContact C-N 3.3Å; F377-N379 PolarHBondContact O-N 3.19Å; N379-R381 PolarHBondContact O-N 3.2Å; N379-R381 VanDerWaalsContact O-N 3.1Å
380	T	59.4	Low	76	Confident	78 Å²	78	66.4 Å²	66.4	48%	0.479	32%	0.319	S	S	.	.			trans	-67.5	111.9	166.6	63.8	0	0	0	0	107.1	F377 N378 F382	F377-T380 WeakPolarHBondContact O-CB 3.26Å; F377-T380 WeakPolarHBondContact O-CG2 3.3Å; F377-T380 PolarHBondContact O-N 3.11Å; F377-T380 PolarHBondContact O-OG1 2.94Å; N378-T380 PolarHBondContact O-N 2.79Å; T380-F382 PolarHBondContact O-N 3.32Å
381	R	54.4	Low	76.2	Confident	216 Å²	216	65.5 Å²	65.5	82%	0.815	32%	0.315	S	S	*	.			trans	-72.4	26.1	-178.6	-155.6	-164.7	-76.5	-170.4	-6.7	112.4	N379 P383	N379-R381 PolarHBondContact O-N 3.2Å; N379-R381 VanDerWaalsContact O-N 3.1Å; R381-P383 WeakPolarHBondContact O-CD 3.39Å
382	F	53.8	Low	76.5	Confident	163 Å²	163	65 Å²	65	72%	0.715	31%	0.312	S	S	*	.			trans	-101.4	103.5	178.7	-73.4	-71	0	0	0	108.2	T380	T380-F382 PolarHBondContact O-N 3.32Å
383	P	60.4	Low	77.1	Confident	32 Å²	32	62.1 Å²	62.1	21%	0.208	30%	0.297	C	S	.	.			trans	-64.2	167	-176.4	26.9	-35.7	0	0	0	112.8	R381 K385 D422 I424	R381-P383 WeakPolarHBondContact O-CD 3.39Å; P383-K385 PolarHBondContact O-N 3.18Å; P383-D422 WeakPolarHBondContact CB-OD2 3.29Å; P383-I424 HydrophobicContact CB-CD1 3.91Å; P383-I424 HydrophobicContact CG-CD1 3.92Å
384	V	70	Confident	77.9	Confident	9 Å²	9	61.6 Å²	61.6	6%	0.055	29%	0.293	C	S	.	.			trans	-73.6	122.5	178.5	-164.3	0	0	0	0	110.1	F377 W386 R429 R563	F377-V384 HydrophobicContact CD2-CG2 4.39Å; F377-V384 HydrophobicContact CE1-CG2 4.13Å; F377-V384 HydrophobicContact CE2-CG2 3.39Å; F377-V384 HydrophobicContact CZ-CG2 3.23Å; V384-W386 HydrophobicContact CB-CD2 4.13Å; V384-W386 HydrophobicContact CB-CE3 4.43Å; V384-W386 HydrophobicContact CB-CH2 4.15Å; V384-W386 HydrophobicContact CB-CZ2 3.79Å; V384-W386 HydrophobicContact CB-CZ3 4.44Å; V384-W386 HydrophobicContact CG1-CD2 3.71Å; V384-W386 HydrophobicContact CG1-CE3 3.53Å; V384-W386 HydrophobicContact CG1-CH2 3.6Å; V384-W386 HydrophobicContact CG1-CZ2 3.74Å; V384-W386 HydrophobicContact CG1-CZ3 3.48Å; V384-W386 VanDerWaalsContact CG1-CZ3 3.48Å; V384-W386 HydrophobicContact CG2-CH2 4.33Å; V384-W386 HydrophobicContact CG2-CZ2 4.05Å; V384-W386 PolarHBondContact O-N 2.97Å; V384-R429 VanDerWaalsContact O-CD 3.31Å; V384-R429 WeakPolarHBondContact O-CD 3.29Å; V384-R563 HydrophobicContact CG1-CG 4.21Å
385	K	78	Confident	78.8	Confident	109 Å²	109	59.2 Å²	59.2	47%	0.474	28%	0.28	S	S	.	.			trans	-83.6	88.4	172	-71.9	-174.2	177.7	-174.1	0	110.2	P383 D387 S388	P383-K385 PolarHBondContact O-N 3.18Å; K385-D387 VanDerWaalsContact CA-OD1 3.31Å; K385-D387 WeakPolarHBondContact CA-OD1 3.33Å; K385-D387 VanDerWaalsContact CB-OD1 3.3Å; K385-D387 WeakPolarHBondContact CB-OD1 3.4Å; K385-D387 PolarHBondContact O-N 3.11Å; K385-S388 WeakPolarHBondContact CB-OG 3.45Å; K385-S388 PolarHBondContact O-N 2.94Å; K385-S388 PolarHBondContact O-OG 2.69Å
386	W	84.9	Confident	79.5	Confident	4 Å²	4	51 Å²	51	2%	0.015	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.8	174.7	-56.2	128	0	0	0	113.5	V384 S388 F390 M392 F418 S420 L431 I444 L535 L561	V384-W386 HydrophobicContact CB-CD2 4.13Å; V384-W386 HydrophobicContact CB-CE3 4.43Å; V384-W386 HydrophobicContact CB-CH2 4.15Å; V384-W386 HydrophobicContact CB-CZ2 3.79Å; V384-W386 HydrophobicContact CB-CZ3 4.44Å; V384-W386 HydrophobicContact CG1-CD2 3.71Å; V384-W386 HydrophobicContact CG1-CE3 3.53Å; V384-W386 HydrophobicContact CG1-CH2 3.6Å; V384-W386 HydrophobicContact CG1-CZ2 3.74Å; V384-W386 HydrophobicContact CG1-CZ3 3.48Å; V384-W386 VanDerWaalsContact CG1-CZ3 3.48Å; V384-W386 HydrophobicContact CG2-CH2 4.33Å; V384-W386 HydrophobicContact CG2-CZ2 4.05Å; V384-W386 PolarHBondContact O-N 2.97Å; W386-S388 VanDerWaalsContact C-N 3.3Å; W386-F390 HydrophobicContact CE3-CD1 4.36Å; W386-F390 HydrophobicContact CE3-CE1 4.49Å; W386-M392 HydrophobicContact CE3-CE 4.36Å; W386-M392 HydrophobicContact CH2-CE 3.51Å; W386-M392 HydrophobicContact CZ3-CE 3.39Å; W386-F418 HydrophobicContact CH2-CE1 4.08Å; W386-F418 AromaticContact CH2-CZ 3.81Å; W386-F418 HydrophobicContact CH2-CZ 3.81Å; W386-F418 HydrophobicContact CZ2-CE1 4.01Å; W386-F418 AromaticContact CZ2-CZ 3.83Å; W386-F418 HydrophobicContact CZ2-CZ 3.83Å; W386-S420 PolarHBondContact NE1-OG 3.34Å; W386-L431 HydrophobicContact CB-CB 4.12Å; W386-L431 HydrophobicContact CD2-CB 3.76Å; W386-L431 HydrophobicContact CD2-CD2 3.55Å; W386-L431 HydrophobicContact CD2-CG 4.31Å; W386-L431 HydrophobicContact CE3-CB 4.42Å; W386-L431 HydrophobicContact CE3-CD2 3.32Å; W386-L431 HydrophobicContact CE3-CG 4.48Å; W386-L431 HydrophobicContact CG-CB 3.6Å; W386-L431 HydrophobicContact CG-CD2 4.17Å; W386-L431 HydrophobicContact CH2-CD2 4.03Å; W386-L431 HydrophobicContact CZ2-CD2 4.24Å; W386-L431 HydrophobicContact CZ3-CD2 3.58Å; W386-I444 HydrophobicContact CB-CG2 4.16Å; W386-I444 WeakPolarHBondContact O-CG2 3.4Å; W386-L535 HydrophobicContact CZ2-CD2 4.48Å; W386-L561 HydrophobicContact CH2-CD2 3.97Å; W386-L561 HydrophobicContact CZ3-CD1 4.19Å; W386-L561 HydrophobicContact CZ3-CD2 4.23Å
387	D	79.6	Confident	80	Confident	60 Å²	60	49.5 Å²	49.5	32%	0.321	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-0.9	169.2	57.2	-38.4	0	0	0	113.9	K385 S488	K385-D387 VanDerWaalsContact CA-OD1 3.31Å; K385-D387 WeakPolarHBondContact CA-OD1 3.33Å; K385-D387 VanDerWaalsContact CB-OD1 3.3Å; K385-D387 WeakPolarHBondContact CB-OD1 3.4Å; K385-D387 PolarHBondContact O-N 3.11Å; D387-S488 WeakPolarHBondContact O-CB 3.47Å
388	S	86.6	Confident	80.5	Confident	23 Å²	23	49.8 Å²	49.8	16%	0.161	24%	0.241	C	C	.	.	S	Bend	trans	-109.8	162.7	172.8	71.4	0	0	0	0	111.7	K385 W386 F390	K385-S388 WeakPolarHBondContact CB-OG 3.45Å; K385-S388 PolarHBondContact O-N 2.94Å; K385-S388 PolarHBondContact O-OG 2.69Å; W386-S388 VanDerWaalsContact C-N 3.3Å; S388-F390 WeakPolarHBondContact O-CD1 3.24Å; S388-F390 PolarHBondContact O-N 3.24Å
389	D	90.5	Very high	80.8	Confident	28 Å²	28	44.5 Å²	44.5	15%	0.15	21%	0.211	C	C	.	.			trans	-51.1	132.2	-178.3	-68.5	26.1	0	0	0	112.8	F486 S488 E564 K565 I566	D389-F486 WeakPolarHBondContact CA-O 3.48Å; D389-S488 WeakPolarHBondContact OD1-CB 3.45Å; D389-S488 PolarHBondContact OD1-N 3.08Å; D389-S488 PolarHBondContact OD1-OG 2.75Å; D389-E564 CarbonylContact O-C 3.37Å; D389-E564 WeakPolarHBondContact O-CA 3.43Å; D389-E564 PolarHBondContact O-N 3.4Å; D389-K565 PolarHBondContact O-N 3.37Å; D389-K565 VanDerWaalsContact O-N 3.08Å; D389-I566 HydrophobicContact CB-CD1 4.39Å; D389-I566 HydrophobicContact CB-CG1 4.12Å
390	F	93.2	Very high	81.1	Confident	3 Å²	3	42.1 Å²	42.1	1%	0.013	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	158.7	176	70.6	-100.8	0	0	0	112.8	W386 S388 M392 L431 I444 T485 F486 L561 L562 K565	W386-F390 HydrophobicContact CE3-CD1 4.36Å; W386-F390 HydrophobicContact CE3-CE1 4.49Å; S388-F390 WeakPolarHBondContact O-CD1 3.24Å; S388-F390 PolarHBondContact O-N 3.24Å; F390-M392 HydrophobicContact CD2-CG 4.23Å; F390-M392 HydrophobicContact CE2-CG 4.38Å; F390-L431 HydrophobicContact CE1-CD2 4.46Å; F390-L431 HydrophobicContact CE2-CD2 4.42Å; F390-L431 HydrophobicContact CZ-CD1 4.25Å; F390-L431 HydrophobicContact CZ-CD2 4.04Å; F390-I444 HydrophobicContact CE1-CD1 4.06Å; F390-I444 HydrophobicContact CZ-CD1 4.29Å; F390-T485 WeakPolarHBondContact O-CA 3.33Å; F390-F486 HydrophobicContact CD1-CB 3.82Å; F390-F486 AromaticContact CD1-CD1 3.87Å; F390-F486 HydrophobicContact CD1-CD1 3.87Å; F390-F486 HydrophobicContact CD1-CG 4.23Å; F390-F486 HydrophobicContact CD2-CB 4.42Å; F390-F486 HydrophobicContact CE1-CB 3.48Å; F390-F486 VanDerWaalsContact CE1-CB 3.48Å; F390-F486 AromaticContact CE1-CD1 3.71Å; F390-F486 HydrophobicContact CE1-CD1 3.71Å; F390-F486 AromaticContact CE1-CG 3.78Å; F390-F486 HydrophobicContact CE1-CG 3.78Å; F390-F486 HydrophobicContact CE2-CB 4.12Å; F390-F486 HydrophobicContact CG-CB 4.28Å; F390-F486 HydrophobicContact CZ-CB 3.63Å; F390-F486 HydrophobicContact CZ-CG 4.29Å; F390-F486 PolarHBondContact N-O 2.79Å; F390-F486 VanDerWaalsContact N-O 3.07Å; F390-F486 PolarHBondContact O-N 3.47Å; F390-L561 HydrophobicContact CB-CD1 4.46Å; F390-L562 WeakPolarHBondContact CA-O 3.31Å; F390-L562 WeakPolarHBondContact CB-O 3.34Å; F390-K565 CarbonylContact C-O 3.4Å; F390-K565 VanDerWaalsContact CA-O 3.3Å; F390-K565 WeakPolarHBondContact CA-O 3.28Å
391	T	95.1	Very high	81.1	Confident	4 Å²	4	42 Å²	42	3%	0.025	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.8	165.1	-59.8	0	0	0	0	110	I484 T485 L562 E567 L572	T391-I484 WeakPolarHBondContact CA-O 3.37Å; T391-T485 WeakPolarHBondContact CG2-OG1 3.28Å; T391-T485 PolarHBondContact OG1-OG1 3.07Å; T391-L562 PolarHBondContact N-O 3.47Å; T391-L562 PolarHBondContact O-N 2.9Å; T391-E567 HydrophobicContact CG2-CB 4.04Å; T391-E567 PolarHBondContact OG1-N 2.98Å; T391-L572 HydrophobicContact CG2-CD1 4.12Å; T391-L572 HydrophobicContact CG2-CD2 4.01Å
392	M	96.3	Very high	80.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.1	166.8	-73	-170.7	-176.1	0	0	109.7	W386 F390 F418 L431 I433 A483 I484 F559 T560 L561	W386-M392 HydrophobicContact CE3-CE 4.36Å; W386-M392 HydrophobicContact CH2-CE 3.51Å; W386-M392 HydrophobicContact CZ3-CE 3.39Å; F390-M392 HydrophobicContact CD2-CG 4.23Å; F390-M392 HydrophobicContact CE2-CG 4.38Å; M392-F418 HydrophobicContact CE-CD1 3.93Å; M392-F418 HydrophobicContact CE-CD2 4.5Å; M392-F418 HydrophobicContact CE-CE1 3.63Å; M392-F418 HydrophobicContact CE-CE2 4.22Å; M392-F418 HydrophobicContact CE-CG 4.37Å; M392-F418 HydrophobicContact CE-CZ 3.78Å; M392-F418 HydrophobicContact SD-CD1 4.18Å; M392-F418 HydrophobicContact SD-CE1 4.47Å; M392-F418 HydrophobicContact SD-CG 4.24Å; M392-L431 HydrophobicContact CE-CD2 3.48Å; M392-L431 VanDerWaalsContact CE-CD2 3.48Å; M392-L431 HydrophobicContact SD-CD2 4.42Å; M392-I433 HydrophobicContact SD-CD1 3.45Å; M392-I433 WeakPolarHBondContact SD-CD1 3.39Å; M392-A483 CarbonylContact O-C 3.54Å; M392-A483 VanDerWaalsContact O-CA 3.26Å; M392-A483 WeakPolarHBondContact O-CA 3.5Å; M392-I484 PolarHBondContact N-O 3.43Å; M392-I484 PolarHBondContact O-N 3.37Å; M392-F559 HydrophobicContact SD-CE1 4.33Å; M392-T560 WeakPolarHBondContact CA-O 3.3Å; M392-L561 HydrophobicContact CE-CD1 3.88Å; M392-L561 HydrophobicContact CE-CD2 4.4Å; M392-L561 HydrophobicContact CG-CD1 3.73Å
393	S	96.4	Very high	80.2	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	131.7	-177.7	-144.9	0	0	0	0	110.6	H481 Y482 A483 F559 T560	S393-H481 PolarHBondContact OG-CE1 3.16Å; S393-H481 PolarHBondContact OG-NE2 2.89Å; S393-Y482 CarbonylContact C-O 3.53Å; S393-Y482 WeakPolarHBondContact CA-O 3.26Å; S393-A483 WeakPolarHBondContact OG-CB 3.46Å; S393-F559 CarbonylContact O-C 3.52Å; S393-F559 WeakPolarHBondContact O-CA 3.42Å; S393-T560 WeakPolarHBondContact CB-OG1 3.4Å; S393-T560 PolarHBondContact N-O 3.18Å; S393-T560 VanDerWaalsContact N-O 3.11Å; S393-T560 PolarHBondContact O-N 2.87Å; S393-T560 PolarHBondContact O-OG1 2.9Å
394	F	96.7	Very high	79.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	152.6	-179.1	53.7	-92.5	0	0	0	112.5	L396 I417 F440 Y482 L556 F559	F394-L396 HydrophobicContact CD2-CB 4.05Å; F394-L396 HydrophobicContact CE2-CB 4.13Å; F394-L396 HydrophobicContact CE2-CD2 4.39Å; F394-I417 HydrophobicContact CD2-CG2 4.45Å; F394-I417 HydrophobicContact CE1-CG2 4.21Å; F394-I417 HydrophobicContact CE2-CD1 4.07Å; F394-I417 HydrophobicContact CE2-CG2 3.99Å; F394-I417 HydrophobicContact CZ-CD1 4.02Å; F394-I417 HydrophobicContact CZ-CG2 3.87Å; F394-F440 HydrophobicContact CZ-CE1 4.3Å; F394-Y482 HydrophobicContact CD2-CD2 4.33Å; F394-Y482 AromaticContact CE2-CD2 3.91Å; F394-Y482 HydrophobicContact CE2-CD2 3.91Å; F394-Y482 HydrophobicContact CE2-CG 4.07Å; F394-Y482 HydrophobicContact CZ-CG 4.48Å; F394-Y482 PolarHBondContact N-O 3.49Å; F394-Y482 PolarHBondContact O-N 3.5Å; F394-L556 HydrophobicContact CD2-CD2 3.98Å; F394-F559 HydrophobicContact CB-CB 4.08Å; F394-F559 HydrophobicContact CB-CD1 4.31Å; F394-F559 HydrophobicContact CB-CD2 3.75Å; F394-F559 HydrophobicContact CB-CE2 4.22Å; F394-F559 HydrophobicContact CB-CG 3.79Å; F394-F559 HydrophobicContact CD1-CD2 4.31Å; F394-F559 HydrophobicContact CD1-CE1 4.17Å; F394-F559 AromaticContact CD1-CE2 3.92Å; F394-F559 HydrophobicContact CD1-CE2 3.92Å; F394-F559 AromaticContact CD1-CZ 3.83Å; F394-F559 HydrophobicContact CD1-CZ 3.83Å; F394-F559 HydrophobicContact CE1-CZ 4.36Å; F394-F559 HydrophobicContact CG-CD2 4.12Å; F394-F559 HydrophobicContact CG-CE2 4.09Å; F394-F559 HydrophobicContact CG-CZ 4.44Å
395	W	95.2	Very high	77.6	Confident	7 Å²	7	47 Å²	47	3%	0.027	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.6	166.2	-69	90.9	0	0	0	109.4	P302 C305 H307 W479 H480 H481 L556 T557 S576	P302-W395 HydrophobicContact CB-CH2 4.03Å; P302-W395 HydrophobicContact CB-CZ3 4.05Å; C305-W395 HydrophobicContact CB-CH2 4.16Å; C305-W395 HydrophobicContact CB-CZ2 4.23Å; H307-W395 AromaticContact CE1-CE3 3.52Å; H307-W395 AromaticContact CE1-CH2 3.64Å; H307-W395 AromaticContact CE1-CZ3 3.32Å; H307-W395 WeakPolarHBondContact CE1-CZ3 3.17Å; H307-W395 AromaticContact ND1-CD2 3.55Å; H307-W395 AromaticContact ND1-CE2 3.81Å; H307-W395 AromaticContact ND1-CE3 3.51Å; H307-W395 AromaticContact ND1-CH2 3.96Å; H307-W395 AromaticContact ND1-CZ3 3.73Å; W395-W479 HydrophobicContact CB-CE3 3.91Å; W395-W479 HydrophobicContact CB-CZ3 4.12Å; W395-W479 HydrophobicContact CE3-CB 4.21Å; W395-H480 WeakPolarHBondContact CA-O 3.23Å; W395-H481 AromaticContact CD1-CD2 3.97Å; W395-H481 HydrophobicContact CD2-CB 3.87Å; W395-H481 AromaticContact CE2-CD2 3.75Å; W395-H481 HydrophobicContact CE3-CB 3.74Å; W395-H481 HydrophobicContact CH2-CB 3.91Å; W395-H481 HydrophobicContact CZ2-CB 4.02Å; W395-H481 HydrophobicContact CZ3-CB 3.75Å; W395-H481 AromaticContact NE1-CD2 3.64Å; W395-L556 WeakPolarHBondContact O-CA 3.28Å; W395-L556 WeakPolarHBondContact O-CD2 3.29Å; W395-T557 HydrophobicContact CB-CG2 3.67Å; W395-T557 WeakPolarHBondContact CB-O 3.34Å; W395-T557 HydrophobicContact CG-CG2 4.3Å; W395-T557 PolarHBondContact N-O 3.46Å; W395-T557 PolarHBondContact O-N 2.92Å; W395-T557 VanDerWaalsContact O-N 3.1Å; W395-S576 VanDerWaalsContact CH2-O 3.28Å; W395-S576 WeakPolarHBondContact CH2-O 3.3Å
396	L	93.6	Very high	75.7	Confident	1 Å²	1	53 Å²	53	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.1	177.1	170.3	65.3	0	0	0	110.2	F394 R398 I417 L435 H480 Y482 L552 D555 L556	F394-L396 HydrophobicContact CD2-CB 4.05Å; F394-L396 HydrophobicContact CE2-CB 4.13Å; F394-L396 HydrophobicContact CE2-CD2 4.39Å; L396-R398 HydrophobicContact CD1-CG 4.37Å; L396-R398 HydrophobicContact CD2-CG 4.08Å; L396-R398 HydrophobicContact CG-CG 4.07Å; L396-I417 HydrophobicContact CD2-CD1 3.89Å; L396-I417 HydrophobicContact CD2-CG1 4.41Å; L396-L435 HydrophobicContact CD2-CD1 3.95Å; L396-H480 PolarHBondContact N-O 3.44Å; L396-H480 PolarHBondContact O-N 2.82Å; L396-Y482 HydrophobicContact CB-CD2 3.92Å; L396-Y482 HydrophobicContact CB-CE2 3.81Å; L396-Y482 HydrophobicContact CD2-CE2 4.21Å; L396-Y482 HydrophobicContact CG-CE2 4.34Å; L396-L552 HydrophobicContact CD1-CD1 4.36Å; L396-L552 HydrophobicContact CD1-CD2 4.28Å; L396-D555 WeakPolarHBondContact CA-O 3.33Å; L396-L556 HydrophobicContact CB-CD2 3.81Å; L396-L556 HydrophobicContact CD1-CD2 3.74Å; L396-L556 HydrophobicContact CD1-CG 4.24Å; L396-L556 HydrophobicContact CG-CD2 4.31Å
397	R	87.6	Confident	73.6	Confident	7 Å²	7	57.1 Å²	57.1	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	113.2	167.6	169	169.8	76.2	155.6	9	108.6	D476 G477 W479 G554 D555	R397-D476 IonicContact CZ-OD1 3.55Å; R397-D476 IonicContact NH1-OD1 3.32Å; R397-D476 PolarHBondContact NH1-OD1 2.97Å; R397-D476 IonicContact NH1-OD2 3.17Å; R397-D476 IonicContact NH2-OD1 2.81Å; R397-G477 WeakPolarHBondContact CD-O 3.46Å; R397-G477 WeakPolarHBondContact CG-O 3.48Å; R397-W479 HydrophobicContact CB-CD2 3.63Å; R397-W479 HydrophobicContact CB-CE3 3.62Å; R397-W479 HydrophobicContact CB-CG 4.18Å; R397-W479 HydrophobicContact CB-CH2 4.17Å; R397-W479 HydrophobicContact CB-CZ2 4.18Å; R397-W479 HydrophobicContact CB-CZ3 3.89Å; R397-G554 CarbonylContact O-C 3.5Å; R397-G554 WeakPolarHBondContact O-CA 3.35Å; R397-D555 HydrophobicContact CB-CB 4.32Å; R397-D555 IonicContact CZ-OD2 3.22Å; R397-D555 PolarHBondContact N-O 2.84Å; R397-D555 IonicContact NE-OD2 3.37Å; R397-D555 PolarHBondContact NE-OD2 2.92Å; R397-D555 IonicContact NH2-OD2 3.09Å; R397-D555 PolarHBondContact NH2-OD2 2.82Å; R397-D555 PolarHBondContact O-N 3.3Å
398	R	85.8	Confident	71.8	Confident	30 Å²	30	59.4 Å²	59.4	11%	0.113	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	154.9	178.4	-59.9	-175.1	73.4	-168.2	10.1	111.2	L396 E415 G437	L396-R398 HydrophobicContact CD1-CG 4.37Å; L396-R398 HydrophobicContact CD2-CG 4.08Å; L396-R398 HydrophobicContact CG-CG 4.07Å; R398-E415 IonicContact CZ-OE2 3.76Å; R398-E415 IonicContact NE-OE2 3.72Å; R398-E415 PolarHBondContact NE-OE2 2.84Å; R398-E415 IonicContact NH2-OE1 3.45Å; R398-E415 IonicContact NH2-OE2 3.68Å; R398-E415 PolarHBondContact NH2-OE2 3.11Å; R398-G437 PolarHBondContact NH1-O 2.77Å; R398-G437 PolarHBondContact NH2-O 3.43Å
399	H	77.9	Confident	69.7	Low	32 Å²	32	62.5 Å²	62.5	15%	0.148	32%	0.315	C	S	.	.			trans	-115.6	153	172.9	-47.5	144.5	0	0	0	111.8	R360 R553 D555	R360-H399 PolarHBondContact NE-CE1 3.09Å; H399-R553 HydrophobicContact CB-CG 4.08Å; H399-D555 IonicContact CE1-OD1 2.86Å; H399-D555 PolarHBondContact CE1-OD1 3.08Å; H399-D555 IonicContact CE1-OD2 3.84Å; H399-D555 PolarHBondContact CE1-OD2 2.86Å; H399-D555 VanDerWaalsContact NE2-CG 3.29Å; H399-D555 IonicContact NE2-OD1 3.42Å; H399-D555 PolarHBondContact NE2-OD1 2.82Å; H399-D555 IonicContact NE2-OD2 2.67Å; H399-D555 PolarHBondContact NE2-OD2 2.72Å
400	H	68.5	Low	67.6	Low	77 Å²	77	67 Å²	67	36%	0.356	34%	0.339	S	S	.	.			trans	-76.1	146	-178.9	-174.3	41.9	0	0	0	112.5	Q470	H400-Q470 HydrophobicContact CB-CB 3.93Å; H400-Q470 WeakPolarHBondContact ND1-CB 3.26Å; H400-Q470 PolarHBondContact ND1-OE1 2.86Å
401	L	58.4	Low	65.4	Low	74 Å²	74	70.5 Å²	70.5	39%	0.387	36%	0.358	S	S	.	.			trans	-85	111	161.8	-177.2	80.1	0	0	0	108.7	N403	L401-N403 PolarHBondContact O-N 3.02Å
402	Q	50	Low	63.3	Low	149 Å²	149	76.8 Å²	76.8	70%	0.696	39%	0.387	S	S	*	.			trans	-56.7	110	172.5	-74.3	-168.3	-4.6	0	0	110.3	N404	Q402-N404 VanDerWaalsContact C-N 3.25Å; Q402-N404 PolarHBondContact O-N 3.37Å
403	N	39.1	Very low	62.1	Low	118 Å²	118	80.7 Å²	80.7	63%	0.631	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	50	-154.2	-154.3	3.2	0	0	0	114.3	L401	L401-N403 PolarHBondContact O-N 3.02Å
404	N	37.2	Very low	61.5	Low	136 Å²	136	83.3 Å²	83.3	73%	0.727	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-12.9	176.4	-84.3	-14.4	0	0	0	114	Q402	Q402-N404 VanDerWaalsContact C-N 3.25Å; Q402-N404 PolarHBondContact O-N 3.37Å
405	L	39.2	Very low	61.3	Low	123 Å²	123	84.4 Å²	84.4	64%	0.644	43%	0.425	S	S	*	.			trans	-106.5	100.8	174.2	-73.1	168.4	0	0	0	109.9	V407	L405-V407 HydrophobicContact CB-CG2 4.14Å; L405-V407 PolarHBondContact O-N 3.29Å
406	R	38.2	Very low	61.2	Low	236 Å²	236	84 Å²	84	89%	0.891	42%	0.424	S	S	*	.			trans	-69.4	76.6	165.7	-70	179.4	177.1	154.7	-1.3	109.4	S408	R406-S408 PolarHBondContact O-N 3.36Å; R406-S408 PolarHBondContact O-OG 3.12Å
407	V	39.7	Very low	61.4	Low	89 Å²	89	84 Å²	84	54%	0.539	42%	0.424	S	S	.	.			trans	-74.6	118.9	171.6	-176.2	0	0	0	0	107.9	L405 N409 E412	L405-V407 HydrophobicContact CB-CG2 4.14Å; L405-V407 PolarHBondContact O-N 3.29Å; V407-N409 VanDerWaalsContact C-N 3.34Å; V407-N409 PolarHBondContact O-N 2.76Å; V407-E412 WeakPolarHBondContact CG1-OE2 3.44Å
408	S	42.8	Very low	61.8	Low	109 Å²	109	83.7 Å²	83.7	76%	0.762	42%	0.423	S	S	*	.			trans	-92.9	21.2	-165.5	-52.4	0	0	0	0	114.4	R406	R406-S408 PolarHBondContact O-N 3.36Å; R406-S408 PolarHBondContact O-OG 3.12Å
409	N	41.5	Very low	62.2	Low	87 Å²	87	82.2 Å²	82.2	47%	0.465	42%	0.417	S	S	.	.			trans	-108.7	117.8	-179	-77.1	-7.3	0	0	0	110.5	V407 D411 E412	V407-N409 VanDerWaalsContact C-N 3.34Å; V407-N409 PolarHBondContact O-N 2.76Å; N409-D411 PolarHBondContact O-N 2.88Å; N409-E412 HydrophobicContact CB-CG 4.46Å
410	N	46.5	Very low	62.8	Low	122 Å²	122	80.8 Å²	80.8	65%	0.652	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-63.1	-30.3	-178.8	-73.8	-27.1	0	0	0	113.1	E412 N413	N410-E412 VanDerWaalsContact C-N 3.32Å; N410-E412 PolarHBondContact O-N 3.11Å; N410-N413 PolarHBondContact O-ND2 3.2Å
411	D	47.3	Very low	63.4	Low	78 Å²	78	78.8 Å²	78.8	42%	0.417	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-75.7	-13	-172.4	-54.1	-40.2	0	0	0	114.1	N409 N413	N409-D411 PolarHBondContact O-N 2.88Å; D411-N413 VanDerWaalsContact C-N 3.3Å; D411-N413 PolarHBondContact O-N 2.91Å
412	E	51.9	Low	64.1	Low	135 Å²	135	75.7 Å²	75.7	63%	0.631	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-86.3	3.8	179.4	-69.2	-177.4	-173	0	0	113.6	V407 N409 N410	V407-E412 WeakPolarHBondContact CG1-OE2 3.44Å; N409-E412 HydrophobicContact CB-CG 4.46Å; N410-E412 VanDerWaalsContact C-N 3.32Å; N410-E412 PolarHBondContact O-N 3.11Å
413	N	70.1	Confident	64.8	Low	83 Å²	83	70 Å²	70	44%	0.444	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-94.4	6.9	179.2	-63.6	-58.4	0	0	0	114.4	N410 D411 G437	N410-N413 PolarHBondContact O-ND2 3.2Å; D411-N413 VanDerWaalsContact C-N 3.3Å; D411-N413 PolarHBondContact O-N 2.91Å; N413-G437 PolarHBondContact O-N 3.06Å
414	E	85	Confident	65.9	Low	56 Å²	56	66.6 Å²	66.6	26%	0.262	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.8	176.2	-66.6	-159.3	165.7	0	0	112.2	L435 H436 Q550	E414-L435 WeakPolarHBondContact CA-O 3.38Å; E414-H436 HydrophobicContact CG-CB 4.16Å; E414-H436 IonicContact OE1-CD2 2.85Å; E414-Q550 HydrophobicContact CB-CG 4.12Å; E414-Q550 VanDerWaalsContact O-CA 3.26Å; E414-Q550 WeakPolarHBondContact O-CA 3.39Å; E414-Q550 VanDerWaalsContact O-CB 3.27Å; E414-Q550 WeakPolarHBondContact O-CB 3.2Å; E414-Q550 PolarHBondContact OE2-NE2 3.16Å
415	E	91.2	Very high	67	Low	23 Å²	23	68.2 Å²	68.2	11%	0.107	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.4	176.7	-65.3	173.4	162	0	0	109.6	R398 N434 L435 L552	R398-E415 IonicContact CZ-OE2 3.76Å; R398-E415 IonicContact NE-OE2 3.72Å; R398-E415 PolarHBondContact NE-OE2 2.84Å; R398-E415 IonicContact NH2-OE1 3.45Å; R398-E415 IonicContact NH2-OE2 3.68Å; R398-E415 PolarHBondContact NH2-OE2 3.11Å; E415-N434 CarbonylContact O-C 3.58Å; E415-N434 VanDerWaalsContact O-CA 3.32Å; E415-N434 WeakPolarHBondContact O-CA 3.39Å; E415-L435 HydrophobicContact CB-CB 4.32Å; E415-L435 PolarHBondContact N-O 2.91Å; E415-L435 PolarHBondContact O-N 2.99Å; E415-L552 HydrophobicContact CB-CD1 4.1Å
416	S	94.2	Very high	68	Low	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	112.7	179.3	164.5	0	0	0	0	110.8	N434 G538 A539 C540 Q550	S416-N434 WeakPolarHBondContact CA-OD1 3.27Å; S416-N434 WeakPolarHBondContact CB-OD1 3.46Å; S416-G538 CarbonylContact O-C 3.53Å; S416-G538 WeakPolarHBondContact O-CA 3.38Å; S416-G538 PolarHBondContact O-N 3.44Å; S416-A539 PolarHBondContact O-N 3.04Å; S416-A539 VanDerWaalsContact OG-C 3.29Å; S416-A539 PolarHBondContact OG-O 3.22Å; S416-C540 PolarHBondContact OG-N 3.45Å; S416-Q550 VanDerWaalsContact CB-O 3.31Å; S416-Q550 WeakPolarHBondContact CB-O 3.39Å; S416-Q550 PolarHBondContact N-O 2.78Å
417	I	96.6	Very high	69.1	Low	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-48.5	173.9	-65	163.9	0	0	0	110	F394 L396 I433 L435 F440 I537 G538 L552 F559	F394-I417 HydrophobicContact CD2-CG2 4.45Å; F394-I417 HydrophobicContact CE1-CG2 4.21Å; F394-I417 HydrophobicContact CE2-CD1 4.07Å; F394-I417 HydrophobicContact CE2-CG2 3.99Å; F394-I417 HydrophobicContact CZ-CD1 4.02Å; F394-I417 HydrophobicContact CZ-CG2 3.87Å; L396-I417 HydrophobicContact CD2-CD1 3.89Å; L396-I417 HydrophobicContact CD2-CG1 4.41Å; I417-I433 HydrophobicContact CB-CG2 4.48Å; I417-I433 WeakPolarHBondContact CB-O 3.37Å; I417-I433 HydrophobicContact CD1-CG2 4.49Å; I417-I433 PolarHBondContact N-O 2.69Å; I417-L435 HydrophobicContact CD1-CD1 3.8Å; I417-L435 HydrophobicContact CD1-CG 3.82Å; I417-L435 HydrophobicContact CG1-CD1 4.43Å; I417-F440 HydrophobicContact CD1-CE1 3.63Å; I417-F440 HydrophobicContact CD1-CZ 4.3Å; I417-I537 WeakPolarHBondContact O-CA 2.97Å; I417-G538 PolarHBondContact O-N 2.85Å; I417-L552 HydrophobicContact CG1-CD1 4.08Å; I417-F559 HydrophobicContact CG2-CE2 3.85Å; I417-F559 HydrophobicContact CG2-CZ 4.44Å
418	F	96.3	Very high	70.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	139.4	-179.9	176.6	-87.5	0	0	0	110.3	I371 W386 M392 L431 S432 I433 L535 I537 F559	I371-F418 HydrophobicContact CD1-CE2 4.38Å; W386-F418 HydrophobicContact CH2-CE1 4.08Å; W386-F418 AromaticContact CH2-CZ 3.81Å; W386-F418 HydrophobicContact CH2-CZ 3.81Å; W386-F418 HydrophobicContact CZ2-CE1 4.01Å; W386-F418 AromaticContact CZ2-CZ 3.83Å; W386-F418 HydrophobicContact CZ2-CZ 3.83Å; M392-F418 HydrophobicContact CE-CD1 3.93Å; M392-F418 HydrophobicContact CE-CD2 4.5Å; M392-F418 HydrophobicContact CE-CE1 3.63Å; M392-F418 HydrophobicContact CE-CE2 4.22Å; M392-F418 HydrophobicContact CE-CG 4.37Å; M392-F418 HydrophobicContact CE-CZ 3.78Å; M392-F418 HydrophobicContact SD-CD1 4.18Å; M392-F418 HydrophobicContact SD-CE1 4.47Å; M392-F418 HydrophobicContact SD-CG 4.24Å; F418-L431 HydrophobicContact CD1-CD2 4.21Å; F418-L431 HydrophobicContact CD1-CG 4.22Å; F418-L431 HydrophobicContact CE1-CB 4.46Å; F418-L431 HydrophobicContact CE1-CD2 3.84Å; F418-L431 HydrophobicContact CE1-CG 4.06Å; F418-S432 CarbonylContact O-C 3.35Å; F418-S432 VanDerWaalsContact O-CA 3.31Å; F418-S432 WeakPolarHBondContact O-CA 3.47Å; F418-I433 HydrophobicContact CB-CB 4.31Å; F418-I433 HydrophobicContact CB-CD1 4.47Å; F418-I433 PolarHBondContact N-O 2.82Å; F418-I433 PolarHBondContact O-N 3.17Å; F418-L535 HydrophobicContact CE2-CD2 4.35Å; F418-L535 HydrophobicContact CZ-CD2 4.1Å; F418-L535 HydrophobicContact CZ-CG 4.16Å; F418-I537 HydrophobicContact CD2-CG1 4.07Å; F418-F559 HydrophobicContact CB-CZ 3.99Å; F418-F559 HydrophobicContact CD2-CZ 4.14Å; F418-F559 HydrophobicContact CG-CZ 4.39Å
419	C	94.2	Very high	71.9	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	129.6	177.8	166.2	0	0	0	0	110	H421 L431 L535 T536 C540	C419-H421 PolarHBondContact SG-CE1 3.01Å; C419-H421 PolarHBondContact SG-ND1 2.97Å; C419-L431 CarbonylContact C-O 3.54Å; C419-L431 WeakPolarHBondContact CA-O 3.27Å; C419-L535 CarbonylContact O-C 3.06Å; C419-L535 WeakPolarHBondContact O-CA 3.35Å; C419-T536 PolarHBondContact N-O 2.83Å; C419-T536 PolarHBondContact O-N 3.33Å; C419-T536 PolarHBondContact O-OG1 2.93Å; C419-C540 HydrophobicContact CB-CB 3.46Å; C419-C540 VanDerWaalsContact CB-CB 3.46Å; C419-C540 WeakPolarHBondContact CB-SG 3.34Å; C419-C540 WeakPolarHBondContact SG-CA 3.36Å; C419-C540 WeakPolarHBondContact SG-CB 3.39Å; C419-C540 CovalentContact SG-SG 2.05Å; C419-C540 PolarHBondContact SG-SG 3.47Å
420	S	90.4	Very high	74.1	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.014	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128.4	179.4	179.7	0	0	0	0	110	W386 Y430 L431 R534	W386-S420 PolarHBondContact NE1-OG 3.34Å; S420-Y430 VanDerWaalsContact O-CA 3.3Å; S420-Y430 WeakPolarHBondContact O-CA 3.45Å; S420-Y430 VanDerWaalsContact O-CD2 3.28Å; S420-Y430 WeakPolarHBondContact O-CD2 3.34Å; S420-L431 PolarHBondContact N-O 2.69Å; S420-L431 PolarHBondContact O-N 2.81Å; S420-L431 VanDerWaalsContact O-N 3.11Å; S420-R534 CarbonylContact C-O 3.55Å; S420-R534 WeakPolarHBondContact CA-O 3.46Å
421	H	82.2	Confident	76.2	Confident	34 Å²	34	41.7 Å²	41.7	16%	0.157	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.7	173.8	-71.6	90.6	0	0	0	109.6	C419 Y430 P533 R534 Y541	C419-H421 PolarHBondContact SG-CE1 3.01Å; C419-H421 PolarHBondContact SG-ND1 2.97Å; H421-Y430 AromaticContact CD2-CD2 3.56Å; H421-Y430 AromaticContact CD2-CE2 3.89Å; H421-Y430 AromaticContact CE1-CD2 3.9Å; H421-Y430 AromaticContact CE1-CE2 3.48Å; H421-Y430 VanDerWaalsContact CE1-CE2 3.48Å; H421-Y430 WeakPolarHBondContact CE1-CE2 3.29Å; H421-Y430 AromaticContact CG-CD2 3.97Å; H421-Y430 AromaticContact NE2-CD2 3.52Å; H421-Y430 AromaticContact NE2-CE2 3.33Å; H421-Y430 VanDerWaalsContact NE2-CE2 3.33Å; H421-Y430 WeakPolarHBondContact NE2-CE2 2.98Å; H421-P533 CarbonylContact O-C 3.53Å; H421-P533 WeakPolarHBondContact O-CA 3.24Å; H421-R534 PolarHBondContact N-O 3.24Å; H421-R534 PolarHBondContact O-N 3.09Å; H421-Y541 PolarHBondContact CE1-O 3.36Å; H421-Y541 PolarHBondContact ND1-O 3.09Å; H421-Y541 PolarHBondContact NE2-O 3.27Å
422	D	73.8	Confident	78.5	Confident	10 Å²	10	38 Å²	38	5%	0.053	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	141	173.4	-176.4	35.5	0	0	0	111.6	P383 I424 R429 P533	P383-D422 WeakPolarHBondContact CB-OD2 3.29Å; D422-I424 VanDerWaalsContact OD1-CD1 3.29Å; D422-I424 WeakPolarHBondContact OD1-CD1 3.47Å; D422-I424 VanDerWaalsContact OD1-CG1 3.32Å; D422-I424 WeakPolarHBondContact OD1-CG1 3.44Å; D422-R429 HydrophobicContact CB-CB 4.29Å; D422-R429 PolarHBondContact N-O 3.01Å; D422-R429 PolarHBondContact O-N 2.97Å; D422-P533 HydrophobicContact CB-CB 4Å; D422-P533 WeakPolarHBondContact OD1-CB 3.33Å
423	N	64.4	Low	80.6	Confident	29 Å²	29	31.6 Å²	31.6	16%	0.155	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	87.7	-179.8	-175.6	2.1	0	0	0	109.5	E427 N525 F527 Y529	N423-E427 WeakPolarHBondContact CA-O 3.48Å; N423-N525 PolarHBondContact ND2-ND2 2.9Å; N423-F527 PolarHBondContact ND2-O 2.85Å; N423-Y529 PolarHBondContact ND2-O 2.87Å
424	I	61.4	Low	81.8	Confident	46 Å²	46	28 Å²	28	24%	0.236	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.9	-178	-71.3	165.7	0	0	0	108.7	P383 D422 S426 E427	P383-I424 HydrophobicContact CB-CD1 3.91Å; P383-I424 HydrophobicContact CG-CD1 3.92Å; D422-I424 VanDerWaalsContact OD1-CD1 3.29Å; D422-I424 WeakPolarHBondContact OD1-CD1 3.47Å; D422-I424 VanDerWaalsContact OD1-CG1 3.32Å; D422-I424 WeakPolarHBondContact OD1-CG1 3.44Å; I424-S426 PolarHBondContact O-N 2.85Å; I424-E427 PolarHBondContact N-O 2.98Å; I424-E427 VanDerWaalsContact N-O 3.11Å; I424-E427 PolarHBondContact O-N 2.99Å
425	E	60.7	Low	82.1	Confident	170 Å²	170	25.3 Å²	25.3	79%	0.794	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	34.9	168.5	-61.8	-177.4	-176.3	0	0	115.1
426	S	59.4	Low	81.9	Confident	93 Å²	93	28 Å²	28	65%	0.65	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.8	7.3	-175.8	-48.8	0	0	0	0	116.6	I424	I424-S426 PolarHBondContact O-N 2.85Å
427	E	61.2	Low	81.4	Confident	60 Å²	60	29.4 Å²	29.4	28%	0.28	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.2	165	-57.7	-166.2	152.7	0	0	110.8	N423 I424 R429 S447	N423-E427 WeakPolarHBondContact CA-O 3.48Å; I424-E427 PolarHBondContact N-O 2.98Å; I424-E427 VanDerWaalsContact N-O 3.11Å; I424-E427 PolarHBondContact O-N 2.99Å; E427-R429 IonicContact OE2-CZ 3.51Å; E427-R429 IonicContact OE2-NH1 3.77Å; E427-R429 PolarHBondContact OE2-NH1 2.84Å; E427-R429 IonicContact OE2-NH2 3.15Å; E427-R429 PolarHBondContact OE2-NH2 2.83Å; E427-S447 VanDerWaalsContact CA-O 3.3Å; E427-S447 WeakPolarHBondContact CA-O 3.41Å
428	W	64.8	Low	80.9	Confident	29 Å²	29	31.9 Å²	31.9	11%	0.11	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	135.2	175.6	174.1	-56.8	0	0	0	109.6	M445 S447 F527	W428-M445 HydrophobicContact CZ2-CE 3.98Å; W428-M445 HydrophobicContact CZ2-SD 4.32Å; W428-S447 PolarHBondContact N-O 2.87Å; W428-S447 PolarHBondContact O-N 3.33Å; W428-F527 HydrophobicContact CE3-CB 4.43Å; W428-F527 HydrophobicContact CH2-CB 3.83Å; W428-F527 AromaticContact CH2-CD1 3.95Å; W428-F527 HydrophobicContact CH2-CD1 3.95Å; W428-F527 AromaticContact CH2-CD2 3.26Å; W428-F527 HydrophobicContact CH2-CD2 3.26Å; W428-F527 HydrophobicContact CH2-CE1 4.28Å; W428-F527 AromaticContact CH2-CE2 3.65Å; W428-F527 HydrophobicContact CH2-CE2 3.65Å; W428-F527 AromaticContact CH2-CG 3.42Å; W428-F527 HydrophobicContact CH2-CG 3.42Å; W428-F527 VanDerWaalsContact CH2-CG 3.42Å; W428-F527 HydrophobicContact CH2-CZ 4.14Å; W428-F527 HydrophobicContact CZ3-CB 3.5Å; W428-F527 VanDerWaalsContact CZ3-CB 3.5Å; W428-F527 HydrophobicContact CZ3-CD1 4.46Å; W428-F527 AromaticContact CZ3-CD2 3.28Å; W428-F527 HydrophobicContact CZ3-CD2 3.28Å; W428-F527 HydrophobicContact CZ3-CE2 4.06Å; W428-F527 AromaticContact CZ3-CG 3.52Å; W428-F527 HydrophobicContact CZ3-CG 3.52Å
429	R	77.8	Confident	80.6	Confident	15 Å²	15	37.5 Å²	37.5	6%	0.057	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	133.4	165.4	-61.1	-178.5	174.8	80	7.5	110.9	V384 D422 E427 M445	V384-R429 VanDerWaalsContact O-CD 3.31Å; V384-R429 WeakPolarHBondContact O-CD 3.29Å; D422-R429 HydrophobicContact CB-CB 4.29Å; D422-R429 PolarHBondContact N-O 3.01Å; D422-R429 PolarHBondContact O-N 2.97Å; E427-R429 IonicContact OE2-CZ 3.51Å; E427-R429 IonicContact OE2-NH1 3.77Å; E427-R429 PolarHBondContact OE2-NH1 2.84Å; E427-R429 IonicContact OE2-NH2 3.15Å; E427-R429 PolarHBondContact OE2-NH2 2.83Å; R429-M445 WeakPolarHBondContact CA-O 3.48Å
430	Y	85.9	Confident	80.6	Confident	12 Å²	12	37.5 Å²	37.5	5%	0.047	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	139.2	175.7	174.1	-90.4	0	0	0	110.8	S420 H421 S432 R443 M445	S420-Y430 VanDerWaalsContact O-CA 3.3Å; S420-Y430 WeakPolarHBondContact O-CA 3.45Å; S420-Y430 VanDerWaalsContact O-CD2 3.28Å; S420-Y430 WeakPolarHBondContact O-CD2 3.34Å; H421-Y430 AromaticContact CD2-CD2 3.56Å; H421-Y430 AromaticContact CD2-CE2 3.89Å; H421-Y430 AromaticContact CE1-CD2 3.9Å; H421-Y430 AromaticContact CE1-CE2 3.48Å; H421-Y430 VanDerWaalsContact CE1-CE2 3.48Å; H421-Y430 WeakPolarHBondContact CE1-CE2 3.29Å; H421-Y430 AromaticContact CG-CD2 3.97Å; H421-Y430 AromaticContact NE2-CD2 3.52Å; H421-Y430 AromaticContact NE2-CE2 3.33Å; H421-Y430 VanDerWaalsContact NE2-CE2 3.33Å; H421-Y430 WeakPolarHBondContact NE2-CE2 2.98Å; Y430-S432 WeakPolarHBondContact CE1-OG 3.32Å; Y430-S432 VanDerWaalsContact OH-CB 3.24Å; Y430-S432 WeakPolarHBondContact OH-CB 3.42Å; Y430-S432 PolarHBondContact OH-OG 2.85Å; Y430-S432 VanDerWaalsContact OH-OG 3.09Å; Y430-R443 HydrophobicContact CD1-CG 4.27Å; Y430-R443 HydrophobicContact CE1-CB 4.03Å; Y430-R443 HydrophobicContact CE1-CG 4.01Å; Y430-M445 HydrophobicContact CD1-CG 4.07Å; Y430-M445 HydrophobicContact CD1-SD 3.96Å; Y430-M445 HydrophobicContact CG-SD 4.28Å; Y430-M445 PolarHBondContact N-O 3.2Å; Y430-M445 PolarHBondContact O-N 3.35Å
431	L	92.2	Very high	80.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	129	167.8	168.1	63.1	0	0	0	108.4	W386 F390 M392 F418 C419 S420 I433 V442 R443 I444	W386-L431 HydrophobicContact CB-CB 4.12Å; W386-L431 HydrophobicContact CD2-CB 3.76Å; W386-L431 HydrophobicContact CD2-CD2 3.55Å; W386-L431 HydrophobicContact CD2-CG 4.31Å; W386-L431 HydrophobicContact CE3-CB 4.42Å; W386-L431 HydrophobicContact CE3-CD2 3.32Å; W386-L431 HydrophobicContact CE3-CG 4.48Å; W386-L431 HydrophobicContact CG-CB 3.6Å; W386-L431 HydrophobicContact CG-CD2 4.17Å; W386-L431 HydrophobicContact CH2-CD2 4.03Å; W386-L431 HydrophobicContact CZ2-CD2 4.24Å; W386-L431 HydrophobicContact CZ3-CD2 3.58Å; F390-L431 HydrophobicContact CE1-CD2 4.46Å; F390-L431 HydrophobicContact CE2-CD2 4.42Å; F390-L431 HydrophobicContact CZ-CD1 4.25Å; F390-L431 HydrophobicContact CZ-CD2 4.04Å; M392-L431 HydrophobicContact CE-CD2 3.48Å; M392-L431 VanDerWaalsContact CE-CD2 3.48Å; M392-L431 HydrophobicContact SD-CD2 4.42Å; F418-L431 HydrophobicContact CD1-CD2 4.21Å; F418-L431 HydrophobicContact CD1-CG 4.22Å; F418-L431 HydrophobicContact CE1-CB 4.46Å; F418-L431 HydrophobicContact CE1-CD2 3.84Å; F418-L431 HydrophobicContact CE1-CG 4.06Å; C419-L431 CarbonylContact C-O 3.54Å; C419-L431 WeakPolarHBondContact CA-O 3.27Å; S420-L431 PolarHBondContact N-O 2.69Å; S420-L431 PolarHBondContact O-N 2.81Å; S420-L431 VanDerWaalsContact O-N 3.11Å; L431-I433 HydrophobicContact CD1-CG1 4.37Å; L431-V442 HydrophobicContact CD1-CG1 3.88Å; L431-R443 CarbonylContact C-O 3.33Å; L431-R443 VanDerWaalsContact CA-O 3.28Å; L431-R443 WeakPolarHBondContact CA-O 3.47Å; L431-I444 HydrophobicContact CD1-CG1 3.93Å
432	S	94	Very high	81.3	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.7	162.4	64.8	0	0	0	0	112.4	F418 Y430 V442 R443	F418-S432 CarbonylContact O-C 3.35Å; F418-S432 VanDerWaalsContact O-CA 3.31Å; F418-S432 WeakPolarHBondContact O-CA 3.47Å; Y430-S432 WeakPolarHBondContact CE1-OG 3.32Å; Y430-S432 VanDerWaalsContact OH-CB 3.24Å; Y430-S432 WeakPolarHBondContact OH-CB 3.42Å; Y430-S432 PolarHBondContact OH-OG 2.85Å; Y430-S432 VanDerWaalsContact OH-OG 3.09Å; S432-V442 VanDerWaalsContact O-CA 3.3Å; S432-V442 WeakPolarHBondContact O-CA 3.4Å; S432-R443 PolarHBondContact N-O 3.23Å; S432-R443 PolarHBondContact O-N 3.46Å
433	I	96.2	Very high	82.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	102.8	173	-58	178.1	0	0	0	106	M392 I417 F418 L431 F440 V442 I484	M392-I433 HydrophobicContact SD-CD1 3.45Å; M392-I433 WeakPolarHBondContact SD-CD1 3.39Å; I417-I433 HydrophobicContact CB-CG2 4.48Å; I417-I433 WeakPolarHBondContact CB-O 3.37Å; I417-I433 HydrophobicContact CD1-CG2 4.49Å; I417-I433 PolarHBondContact N-O 2.69Å; F418-I433 HydrophobicContact CB-CB 4.31Å; F418-I433 HydrophobicContact CB-CD1 4.47Å; F418-I433 PolarHBondContact N-O 2.82Å; F418-I433 PolarHBondContact O-N 3.17Å; L431-I433 HydrophobicContact CD1-CG1 4.37Å; I433-F440 HydrophobicContact CG2-CD1 4.11Å; I433-F440 HydrophobicContact CG2-CE1 4.27Å; I433-V442 HydrophobicContact CG1-CG1 4.39Å; I433-V442 HydrophobicContact CG1-CG2 4.25Å; I433-V442 HydrophobicContact CG2-CG2 4.37Å; I433-I484 HydrophobicContact CD1-CD1 4.07Å; I433-I484 HydrophobicContact CG2-CD1 3.54Å
434	N	95.2	Very high	83.4	Confident	6 Å²	6	37.6 Å²	37.6	3%	0.032	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	155.3	-175	-66.9	-0.1	0	0	0	110.5	E415 S416 F440 V441 Q550	E415-N434 CarbonylContact O-C 3.58Å; E415-N434 VanDerWaalsContact O-CA 3.32Å; E415-N434 WeakPolarHBondContact O-CA 3.39Å; S416-N434 WeakPolarHBondContact CA-OD1 3.27Å; S416-N434 WeakPolarHBondContact CB-OD1 3.46Å; N434-F440 WeakPolarHBondContact O-CA 3.28Å; N434-V441 HydrophobicContact CB-CB 4.37Å; N434-V441 PolarHBondContact N-O 3.38Å; N434-V441 PolarHBondContact O-N 3.02Å; N434-Q550 PolarHBondContact ND2-OE1 3.38Å
435	L	91.5	Very high	84.4	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.4	165.5	-73.9	171.6	0	0	0	108.9	L396 E414 E415 I417 R439 F440	L396-L435 HydrophobicContact CD2-CD1 3.95Å; E414-L435 WeakPolarHBondContact CA-O 3.38Å; E415-L435 HydrophobicContact CB-CB 4.32Å; E415-L435 PolarHBondContact N-O 2.91Å; E415-L435 PolarHBondContact O-N 2.99Å; I417-L435 HydrophobicContact CD1-CD1 3.8Å; I417-L435 HydrophobicContact CD1-CG 3.82Å; I417-L435 HydrophobicContact CG1-CD1 4.43Å; L435-R439 CarbonylContact C-O 3.53Å; L435-R439 WeakPolarHBondContact CA-O 3.42Å; L435-F440 HydrophobicContact CD2-CD1 3.81Å; L435-F440 HydrophobicContact CD2-CD2 3.82Å; L435-F440 HydrophobicContact CD2-CE1 3.78Å; L435-F440 HydrophobicContact CD2-CE2 3.78Å; L435-F440 HydrophobicContact CD2-CG 3.84Å; L435-F440 HydrophobicContact CD2-CZ 3.76Å; L435-F440 HydrophobicContact CG-CD1 4.44Å; L435-F440 HydrophobicContact CG-CE1 4.24Å; L435-F440 HydrophobicContact CG-CZ 4.49Å
436	H	87.8	Confident	85.2	Confident	79 Å²	79	30.8 Å²	30.8	37%	0.366	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	94.9	168	179.8	-65.1	0	0	0	108.3	E414 C438 R439 V441	E414-H436 HydrophobicContact CG-CB 4.16Å; E414-H436 IonicContact OE1-CD2 2.85Å; H436-C438 PolarHBondContact O-N 3.34Å; H436-R439 PolarHBondContact N-O 3.18Å; H436-R439 PolarHBondContact O-N 3.08Å; H436-V441 HydrophobicContact CB-CG2 4.12Å
437	G	83.7	Confident	85.6	Confident	30 Å²	30	27 Å²	27	31%	0.309	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	-102.2	-173	0	0	0	0	0	112.5	R398 N413	R398-G437 PolarHBondContact NH1-O 2.77Å; R398-G437 PolarHBondContact NH2-O 3.43Å; N413-G437 PolarHBondContact O-N 3.06Å
438	C	86	Confident	85.7	Confident	51 Å²	51	26.1 Å²	26.1	35%	0.345	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	17.7	178.1	-70.5	0	0	0	0	114.2	H436 L463 C468	H436-C438 PolarHBondContact O-N 3.34Å; C438-L463 WeakPolarHBondContact O-CG 3.38Å; C438-L463 PolarHBondContact O-N 3.04Å; C438-C468 WeakPolarHBondContact CA-SG 3.45Å; C438-C468 HydrophobicContact CB-CB 3.85Å; C438-C468 WeakPolarHBondContact CB-SG 3.45Å; C438-C468 WeakPolarHBondContact SG-CB 3.07Å; C438-C468 CovalentContact SG-SG 2.03Å; C438-C468 PolarHBondContact SG-SG 3.2Å
439	R	89.9	Confident	85.4	Confident	118 Å²	118	28.7 Å²	28.7	45%	0.445	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.4	178.1	-71.3	179.8	177.6	155.3	0.4	111.2	L435 H436 F460 P462	L435-R439 CarbonylContact C-O 3.53Å; L435-R439 WeakPolarHBondContact CA-O 3.42Å; H436-R439 PolarHBondContact N-O 3.18Å; H436-R439 PolarHBondContact O-N 3.08Å; R439-F460 WeakPolarHBondContact CG-O 3.26Å; R439-P462 HydrophobicContact CG-CB 4.46Å; R439-P462 HydrophobicContact CG-CG 4.38Å
440	F	93.5	Very high	84.6	Confident	1 Å²	1	35.5 Å²	35.5	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	139	162.8	-82.1	-86.5	0	0	0	110.2	F394 I417 I433 N434 L435 F460 L463 Y482 I484 I501	F394-F440 HydrophobicContact CZ-CE1 4.3Å; I417-F440 HydrophobicContact CD1-CE1 3.63Å; I417-F440 HydrophobicContact CD1-CZ 4.3Å; I433-F440 HydrophobicContact CG2-CD1 4.11Å; I433-F440 HydrophobicContact CG2-CE1 4.27Å; N434-F440 WeakPolarHBondContact O-CA 3.28Å; L435-F440 HydrophobicContact CD2-CD1 3.81Å; L435-F440 HydrophobicContact CD2-CD2 3.82Å; L435-F440 HydrophobicContact CD2-CE1 3.78Å; L435-F440 HydrophobicContact CD2-CE2 3.78Å; L435-F440 HydrophobicContact CD2-CG 3.84Å; L435-F440 HydrophobicContact CD2-CZ 3.76Å; L435-F440 HydrophobicContact CG-CD1 4.44Å; L435-F440 HydrophobicContact CG-CE1 4.24Å; L435-F440 HydrophobicContact CG-CZ 4.49Å; F440-F460 HydrophobicContact CB-CB 4.1Å; F440-F460 HydrophobicContact CB-CD2 3.7Å; F440-F460 HydrophobicContact CB-CE2 4.43Å; F440-F460 HydrophobicContact CB-CG 4.09Å; F440-F460 PolarHBondContact O-N 3.17Å; F440-L463 HydrophobicContact CD2-CD1 4.15Å; F440-L463 HydrophobicContact CD2-CD2 3.99Å; F440-L463 HydrophobicContact CD2-CG 4.34Å; F440-L463 HydrophobicContact CE2-CD1 3.82Å; F440-L463 HydrophobicContact CE2-CD2 4.14Å; F440-L463 HydrophobicContact CE2-CG 4.44Å; F440-Y482 AromaticContact CE2-CD1 3.51Å; F440-Y482 HydrophobicContact CE2-CD1 3.51Å; F440-Y482 AromaticContact CE2-CE1 3.55Å; F440-Y482 HydrophobicContact CE2-CE1 3.55Å; F440-Y482 HydrophobicContact CE2-CG 4.42Å; F440-Y482 AromaticContact CZ-CD1 3.43Å; F440-Y482 HydrophobicContact CZ-CD1 3.43Å; F440-Y482 VanDerWaalsContact CZ-CD1 3.43Å; F440-Y482 AromaticContact CZ-CE1 3.73Å; F440-Y482 HydrophobicContact CZ-CE1 3.73Å; F440-Y482 AromaticContact CZ-CG 3.9Å; F440-Y482 HydrophobicContact CZ-CG 3.9Å; F440-I484 HydrophobicContact CD1-CD1 4.12Å; F440-I484 HydrophobicContact CE1-CD1 4.23Å; F440-I501 HydrophobicContact CB-CD1 4.47Å; F440-I501 HydrophobicContact CD1-CD1 4.32Å; F440-I501 HydrophobicContact CD2-CD1 3.41Å; F440-I501 VanDerWaalsContact CD2-CD1 3.41Å; F440-I501 HydrophobicContact CE1-CD1 4.42Å; F440-I501 HydrophobicContact CE2-CD1 3.54Å; F440-I501 HydrophobicContact CG-CD1 3.82Å; F440-I501 HydrophobicContact CZ-CD1 4.06Å
441	V	93.4	Very high	83.2	Confident	17 Å²	17	40.8 Å²	40.8	10%	0.103	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	110.3	176.1	-179	0	0	0	0	106.8	N434 H436 L457 F458	N434-V441 HydrophobicContact CB-CB 4.37Å; N434-V441 PolarHBondContact N-O 3.38Å; N434-V441 PolarHBondContact O-N 3.02Å; H436-V441 HydrophobicContact CB-CG2 4.12Å; V441-L457 HydrophobicContact CG1-CD1 3.49Å; V441-L457 VanDerWaalsContact CG1-CD1 3.49Å; V441-F458 WeakPolarHBondContact CA-O 3.3Å
442	V	94.8	Very high	81.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.4	177.8	-178.9	0	0	0	0	108.5	L431 S432 I433 I444 F458 F460 I484 I499	L431-V442 HydrophobicContact CD1-CG1 3.88Å; S432-V442 VanDerWaalsContact O-CA 3.3Å; S432-V442 WeakPolarHBondContact O-CA 3.4Å; I433-V442 HydrophobicContact CG1-CG1 4.39Å; I433-V442 HydrophobicContact CG1-CG2 4.25Å; I433-V442 HydrophobicContact CG2-CG2 4.37Å; V442-I444 HydrophobicContact CG1-CG1 4.33Å; V442-F458 HydrophobicContact CB-CB 4.34Å; V442-F458 PolarHBondContact N-O 3.05Å; V442-F458 WeakPolarHBondContact O-CB 3.35Å; V442-F458 PolarHBondContact O-N 2.88Å; V442-F460 HydrophobicContact CB-CE2 4.43Å; V442-F460 HydrophobicContact CG2-CE2 3.86Å; V442-I484 HydrophobicContact CG2-CD1 4.27Å; V442-I484 HydrophobicContact CG2-CG2 4.47Å; V442-I499 HydrophobicContact CB-CD1 3.84Å; V442-I499 HydrophobicContact CG1-CD1 3.7Å; V442-I499 HydrophobicContact CG2-CD1 4.05Å
443	R	92	Very high	80.2	Confident	54 Å²	54	46.1 Å²	46.1	20%	0.204	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.1	177.5	-175.7	-175.4	-60.7	-121.7	4.2	109.5	Y430 L431 S432 M445 T456 L457	Y430-R443 HydrophobicContact CD1-CG 4.27Å; Y430-R443 HydrophobicContact CE1-CB 4.03Å; Y430-R443 HydrophobicContact CE1-CG 4.01Å; L431-R443 CarbonylContact C-O 3.33Å; L431-R443 VanDerWaalsContact CA-O 3.28Å; L431-R443 WeakPolarHBondContact CA-O 3.47Å; S432-R443 PolarHBondContact N-O 3.23Å; S432-R443 PolarHBondContact O-N 3.46Å; R443-M445 HydrophobicContact CG-CG 4.22Å; R443-T456 WeakPolarHBondContact CA-O 3.32Å; R443-L457 HydrophobicContact CB-CD1 3.96Å; R443-L457 HydrophobicContact CG-CD1 4.34Å
444	I	90.3	Very high	79	Confident	5 Å²	5	50.7 Å²	50.7	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.9	174.2	-53.1	-179	0	0	0	107.9	W386 F390 L431 V442 S455 T456 F458 F486	W386-I444 HydrophobicContact CB-CG2 4.16Å; W386-I444 WeakPolarHBondContact O-CG2 3.4Å; F390-I444 HydrophobicContact CE1-CD1 4.06Å; F390-I444 HydrophobicContact CZ-CD1 4.29Å; L431-I444 HydrophobicContact CD1-CG1 3.93Å; V442-I444 HydrophobicContact CG1-CG1 4.33Å; I444-S455 WeakPolarHBondContact O-CA 3.3Å; I444-T456 PolarHBondContact N-O 2.84Å; I444-T456 PolarHBondContact O-N 2.63Å; I444-T456 PolarHBondContact O-OG1 2.98Å; I444-F458 HydrophobicContact CD1-CE2 3.98Å; I444-F458 HydrophobicContact CG1-CE2 4.23Å; I444-F486 HydrophobicContact CD1-CD1 4.24Å; I444-F486 HydrophobicContact CD1-CD2 3.67Å; I444-F486 HydrophobicContact CD1-CE1 4.31Å; I444-F486 HydrophobicContact CD1-CE2 3.75Å; I444-F486 HydrophobicContact CD1-CG 3.94Å; I444-F486 HydrophobicContact CD1-CZ 4.07Å
445	M	82.3	Confident	78.3	Confident	39 Å²	39	50.9 Å²	50.9	19%	0.192	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.6	171.5	-47.3	171.9	57.8	0	0	109.6	W428 R429 Y430 R443 K454	W428-M445 HydrophobicContact CZ2-CE 3.98Å; W428-M445 HydrophobicContact CZ2-SD 4.32Å; R429-M445 WeakPolarHBondContact CA-O 3.48Å; Y430-M445 HydrophobicContact CD1-CG 4.07Å; Y430-M445 HydrophobicContact CD1-SD 3.96Å; Y430-M445 HydrophobicContact CG-SD 4.28Å; Y430-M445 PolarHBondContact N-O 3.2Å; Y430-M445 PolarHBondContact O-N 3.35Å; R443-M445 HydrophobicContact CG-CG 4.22Å; M445-K454 WeakPolarHBondContact CA-O 3.21Å
446	S	77.9	Confident	78	Confident	34 Å²	34	52.4 Å²	52.4	24%	0.238	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.7	168.4	62	0	0	0	0	110.2	K454	S446-K454 PolarHBondContact N-O 2.83Å; S446-K454 PolarHBondContact O-N 3.04Å
447	S	66.6	Low	78.1	Confident	15 Å²	15	49.5 Å²	49.5	11%	0.105	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	121.1	172	-169.3	0	0	0	0	108.7	E427 W428 K453	E427-S447 VanDerWaalsContact CA-O 3.3Å; E427-S447 WeakPolarHBondContact CA-O 3.41Å; W428-S447 PolarHBondContact N-O 2.87Å; W428-S447 PolarHBondContact O-N 3.33Å; S447-K453 WeakPolarHBondContact OG-CG 3.47Å
448	T	64.2	Low	78.5	Confident	40 Å²	40	48.3 Å²	48.3	25%	0.245	25%	0.254	C	S	.	.			trans	-86.9	168.5	161.7	67.2	0	0	0	0	109.2	N450 E451	T448-N450 PolarHBondContact O-N 3.38Å; T448-E451 WeakPolarHBondContact OG1-CB 3.22Å; T448-E451 WeakPolarHBondContact OG1-CG 3.3Å; T448-E451 PolarHBondContact OG1-OE2 2.94Å
449	S	58.8	Low	78.8	Confident	84 Å²	84	48.2 Å²	48.2	59%	0.587	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.8	-179.2	52.6	0	0	0	0	114.8
450	N	59.2	Low	78.9	Confident	157 Å²	157	42.7 Å²	42.7	84%	0.84	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-2.3	-173	-70.3	-33.9	0	0	0	114.3	T448	T448-N450 PolarHBondContact O-N 3.38Å
451	E	57.9	Low	78.7	Confident	123 Å²	123	46.2 Å²	46.2	58%	0.575	25%	0.25	S	C	*	.	S	Bend	trans	-120.5	151.9	-174.9	-67	177.3	146.8	0	0	111.3	T448	T448-E451 WeakPolarHBondContact OG1-CB 3.22Å; T448-E451 WeakPolarHBondContact OG1-CG 3.3Å; T448-E451 PolarHBondContact OG1-OE2 2.94Å
452	P	60.1	Low	78.5	Confident	59 Å²	59	48.5 Å²	48.5	38%	0.383	27%	0.265	S	S	.	.			trans	-61	143.4	172.7	27.4	-35	0	0	0	110.3	K454	P452-K454 PolarHBondContact O-N 3.48Å
453	K	62.3	Low	78.1	Confident	56 Å²	56	48.9 Å²	48.9	24%	0.243	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	122.1	177.2	-62.9	174.7	178	175.8	0	109.3	S447 S519	S447-K453 WeakPolarHBondContact OG-CG 3.47Å; K453-S519 PolarHBondContact O-N 3.42Å
454	K	70.5	Confident	77.8	Confident	96 Å²	96	48.4 Å²	48.4	42%	0.417	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.4	173.8	-61.7	-167.5	-177.4	-137.1	0	109.3	M445 S446 P452 E518	M445-K454 WeakPolarHBondContact CA-O 3.21Å; S446-K454 PolarHBondContact N-O 2.83Å; S446-K454 PolarHBondContact O-N 3.04Å; P452-K454 PolarHBondContact O-N 3.48Å; K454-E518 WeakPolarHBondContact CE-OE1 3.38Å; K454-E518 HydrophobicContact CG-CG 4.37Å; K454-E518 IonicContact NZ-OE1 2.65Å; K454-E518 PolarHBondContact NZ-OE1 3.38Å
455	S	80.7	Confident	77.3	Confident	10 Å²	10	55.9 Å²	55.9	7%	0.07	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.4	172.6	169.4	0	0	0	0	108.4	I444 Y517	I444-S455 WeakPolarHBondContact O-CA 3.3Å; S455-Y517 PolarHBondContact N-O 3.49Å; S455-Y517 PolarHBondContact O-N 2.65Å
456	T	85.4	Confident	77	Confident	33 Å²	33	61.2 Å²	61.2	20%	0.202	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117.8	173.5	53.1	0	0	0	0	109.3	R443 I444 F458 V516	R443-T456 WeakPolarHBondContact CA-O 3.32Å; I444-T456 PolarHBondContact N-O 2.84Å; I444-T456 PolarHBondContact O-N 2.63Å; I444-T456 PolarHBondContact O-OG1 2.98Å; T456-F458 WeakPolarHBondContact OG1-CE2 3.41Å; T456-V516 HydrophobicContact CG2-CG1 4.29Å; T456-V516 HydrophobicContact CG2-CG2 4.2Å
457	L	90.4	Very high	77.2	Confident	17 Å²	17	60.9 Å²	60.9	9%	0.089	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112	175.8	172.9	70.5	0	0	0	108.3	V441 R443 V459 T515 Y517	V441-L457 HydrophobicContact CG1-CD1 3.49Å; V441-L457 VanDerWaalsContact CG1-CD1 3.49Å; R443-L457 HydrophobicContact CB-CD1 3.96Å; R443-L457 HydrophobicContact CG-CD1 4.34Å; L457-V459 HydrophobicContact CD2-CG2 4.47Å; L457-V459 HydrophobicContact CG-CG2 4.21Å; L457-T515 WeakPolarHBondContact CB-OG1 3.48Å; L457-T515 PolarHBondContact N-O 2.87Å; L457-T515 PolarHBondContact O-N 2.81Å; L457-T515 PolarHBondContact O-OG1 2.77Å; L457-Y517 HydrophobicContact CB-CE2 4.14Å; L457-Y517 HydrophobicContact CD2-CE2 4.17Å
458	F	92	Very high	77.7	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.026	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	110.4	178	-58.8	-80.2	0	0	0	108.9	V441 V442 I444 T456 F460 F486 P498 I499 A512 P514	V441-F458 WeakPolarHBondContact CA-O 3.3Å; V442-F458 HydrophobicContact CB-CB 4.34Å; V442-F458 PolarHBondContact N-O 3.05Å; V442-F458 WeakPolarHBondContact O-CB 3.35Å; V442-F458 PolarHBondContact O-N 2.88Å; I444-F458 HydrophobicContact CD1-CE2 3.98Å; I444-F458 HydrophobicContact CG1-CE2 4.23Å; T456-F458 WeakPolarHBondContact OG1-CE2 3.41Å; F458-F460 HydrophobicContact CB-CE2 4.5Å; F458-F486 HydrophobicContact CE2-CE2 4.35Å; F458-F486 HydrophobicContact CZ-CE2 4.16Å; F458-P498 HydrophobicContact CE1-CG 3.72Å; F458-P498 HydrophobicContact CZ-CG 4.29Å; F458-I499 HydrophobicContact CB-CG2 4Å; F458-I499 HydrophobicContact CD1-CB 4.43Å; F458-I499 HydrophobicContact CD1-CG2 3.5Å; F458-I499 VanDerWaalsContact CD1-CG2 3.5Å; F458-I499 HydrophobicContact CD2-CD1 4.22Å; F458-I499 HydrophobicContact CD2-CG2 4.37Å; F458-I499 HydrophobicContact CE1-CG2 4.01Å; F458-I499 HydrophobicContact CG-CD1 4.38Å; F458-I499 HydrophobicContact CG-CG2 3.7Å; F458-A512 HydrophobicContact CB-CB 4.19Å; F458-P514 HydrophobicContact CD1-CB 3.93Å; F458-P514 HydrophobicContact CE1-CB 3.78Å
459	V	91.8	Very high	77.8	Confident	48 Å²	48	61.1 Å²	61.1	29%	0.291	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117	172.8	-177	0	0	0	0	107.7	L457 A512 M513	L457-V459 HydrophobicContact CD2-CG2 4.47Å; L457-V459 HydrophobicContact CG-CG2 4.21Å; V459-A512 WeakPolarHBondContact O-CA 3.41Å; V459-M513 PolarHBondContact N-O 2.73Å; V459-M513 PolarHBondContact O-N 2.84Å
460	F	92.3	Very high	77.6	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.009	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	152.2	176	-72.1	-97.7	0	0	0	111.2	R439 F440 V442 F458 I499 I501 I510 K511 A512	R439-F460 WeakPolarHBondContact CG-O 3.26Å; F440-F460 HydrophobicContact CB-CB 4.1Å; F440-F460 HydrophobicContact CB-CD2 3.7Å; F440-F460 HydrophobicContact CB-CE2 4.43Å; F440-F460 HydrophobicContact CB-CG 4.09Å; F440-F460 PolarHBondContact O-N 3.17Å; V442-F460 HydrophobicContact CB-CE2 4.43Å; V442-F460 HydrophobicContact CG2-CE2 3.86Å; F458-F460 HydrophobicContact CB-CE2 4.5Å; F460-I499 HydrophobicContact CE2-CD1 4.18Å; F460-I499 HydrophobicContact CE2-CG2 4.39Å; F460-I499 HydrophobicContact CZ-CD1 4.07Å; F460-I499 HydrophobicContact CZ-CG1 4.08Å; F460-I499 HydrophobicContact CZ-CG2 3.87Å; F460-I501 HydrophobicContact CD1-CB 4.27Å; F460-I501 HydrophobicContact CD1-CG2 3.6Å; F460-I501 HydrophobicContact CE1-CB 3.73Å; F460-I501 HydrophobicContact CE1-CG2 3.49Å; F460-I501 VanDerWaalsContact CE1-CG2 3.49Å; F460-I501 HydrophobicContact CZ-CB 4.21Å; F460-I501 HydrophobicContact CZ-CG2 4.41Å; F460-I510 HydrophobicContact CB-CG2 4.09Å; F460-I510 HydrophobicContact CD1-CG2 4.05Å; F460-K511 CarbonylContact C-O 3.56Å; F460-K511 VanDerWaalsContact CA-O 3.32Å; F460-K511 WeakPolarHBondContact CA-O 3.29Å; F460-A512 HydrophobicContact CD1-CB 3.85Å; F460-A512 HydrophobicContact CD2-CB 4.17Å; F460-A512 HydrophobicContact CE1-CB 3.79Å; F460-A512 HydrophobicContact CE2-CB 4.11Å; F460-A512 HydrophobicContact CG-CB 4.06Å; F460-A512 HydrophobicContact CZ-CB 3.94Å
461	D	90.3	Very high	76.8	Confident	75 Å²	75	58.3 Å²	58.3	40%	0.401	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-54.7	155	166.6	-74.3	-44.6	0	0	0	111.5	L463 I510 K511	D461-L463 PolarHBondContact O-N 2.84Å; D461-I510 HydrophobicContact CB-CG2 4.02Å; D461-K511 PolarHBondContact N-O 2.75Å; D461-K511 PolarHBondContact OD2-N 3.3Å
462	P	87.8	Confident	76.2	Confident	65 Å²	65	54.9 Å²	54.9	42%	0.422	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-55.2	134.7	175.8	-19.5	29.6	0	0	0	111.9	R439	R439-P462 HydrophobicContact CG-CB 4.46Å; R439-P462 HydrophobicContact CG-CG 4.38Å
463	L	87.9	Confident	75.3	Confident	9 Å²	9	55.7 Å²	55.7	5%	0.047	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-59.2	143.2	167.9	-61.4	-177	0	0	0	110.2	C438 F440 D461 I467 C468 Y482 I503 I510	C438-L463 WeakPolarHBondContact O-CG 3.38Å; C438-L463 PolarHBondContact O-N 3.04Å; F440-L463 HydrophobicContact CD2-CD1 4.15Å; F440-L463 HydrophobicContact CD2-CD2 3.99Å; F440-L463 HydrophobicContact CD2-CG 4.34Å; F440-L463 HydrophobicContact CE2-CD1 3.82Å; F440-L463 HydrophobicContact CE2-CD2 4.14Å; F440-L463 HydrophobicContact CE2-CG 4.44Å; D461-L463 PolarHBondContact O-N 2.84Å; L463-I467 HydrophobicContact CD1-CG2 4.3Å; L463-C468 HydrophobicContact CB-CB 4.14Å; L463-Y482 HydrophobicContact CD1-CE1 4.31Å; L463-I503 HydrophobicContact CD2-CD1 3.4Å; L463-I510 HydrophobicContact CD2-CD1 3.91Å
464	P	86	Confident	74.5	Confident	44 Å²	44	55.3 Å²	55.3	29%	0.286	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-51.8	147.8	172.2	-27.6	35.2	0	0	0	112.6	E466 I467 C468 L508	P464-E466 WeakPolarHBondContact CB-OE2 3.12Å; P464-E466 PolarHBondContact O-N 2.96Å; P464-I467 HydrophobicContact CB-CD1 4.34Å; P464-I467 HydrophobicContact CG-CD1 4.11Å; P464-I467 PolarHBondContact O-N 3.35Å; P464-C468 PolarHBondContact O-N 3.47Å; P464-L508 HydrophobicContact CG-CD1 4.38Å
465	E	78.3	Confident	73.3	Confident	161 Å²	161	55.9 Å²	55.9	75%	0.752	32%	0.322	S	S	*	.	H	α-helix	trans	-60.3	-30.7	-179.9	-72.5	-169	176.3	0	0	111.8	I467 C468 S469	E465-I467 PolarHBondContact O-N 3.41Å; E465-C468 PolarHBondContact O-N 3.41Å; E465-S469 VanDerWaalsContact O-CA 3.29Å; E465-S469 WeakPolarHBondContact O-CA 3.31Å; E465-S469 WeakPolarHBondContact O-CB 3.43Å; E465-S469 PolarHBondContact O-N 3.47Å; E465-S469 PolarHBondContact O-OG 3.21Å
466	E	77.7	Confident	72.1	Confident	151 Å²	151	56.5 Å²	56.5	71%	0.706	33%	0.325	S	S	*	.	H	α-helix	trans	-62.3	-29.5	176.9	-62.7	77.2	-170.8	0	0	113	P464	P464-E466 WeakPolarHBondContact CB-OE2 3.12Å; P464-E466 PolarHBondContact O-N 2.96Å
467	I	81.5	Confident	71.2	Confident	27 Å²	27	55.9 Å²	55.9	14%	0.138	32%	0.324	C	S	.	.	H	α-helix	trans	-96.1	-37.7	-179	-65.1	158.9	0	0	0	110.9	L463 P464 E465 Y482 I503 L508	L463-I467 HydrophobicContact CD1-CG2 4.3Å; P464-I467 HydrophobicContact CB-CD1 4.34Å; P464-I467 HydrophobicContact CG-CD1 4.11Å; P464-I467 PolarHBondContact O-N 3.35Å; E465-I467 PolarHBondContact O-N 3.41Å; I467-Y482 HydrophobicContact CG2-CE1 4.44Å; I467-Y482 WeakPolarHBondContact CG2-OH 3.47Å; I467-I503 HydrophobicContact CD1-CG2 4.06Å; I467-I503 HydrophobicContact CG2-CG2 4.26Å; I467-L508 HydrophobicContact CD1-CD1 3.49Å; I467-L508 VanDerWaalsContact CD1-CD1 3.49Å
468	C	77.4	Confident	70.7	Confident	9 Å²	9	58.5 Å²	58.5	6%	0.061	34%	0.338	C	S	.	.	H	α-helix	trans	-86.6	-19.8	179.6	-160	0	0	0	0	114.2	C438 L463 P464 E465 Q470	C438-C468 WeakPolarHBondContact CA-SG 3.45Å; C438-C468 HydrophobicContact CB-CB 3.85Å; C438-C468 WeakPolarHBondContact CB-SG 3.45Å; C438-C468 WeakPolarHBondContact SG-CB 3.07Å; C438-C468 CovalentContact SG-SG 2.03Å; C438-C468 PolarHBondContact SG-SG 3.2Å; L463-C468 HydrophobicContact CB-CB 4.14Å; P464-C468 PolarHBondContact O-N 3.47Å; E465-C468 PolarHBondContact O-N 3.41Å; C468-Q470 PolarHBondContact O-N 2.9Å; C468-Q470 VanDerWaalsContact O-N 3.16Å
469	S	65.5	Low	70.5	Confident	51 Å²	51	59.2 Å²	59.2	36%	0.357	34%	0.34	S	S	.	.			trans	-62.9	124	-170	64.1	0	0	0	0	111.3	E465 T471	E465-S469 VanDerWaalsContact O-CA 3.29Å; E465-S469 WeakPolarHBondContact O-CA 3.31Å; E465-S469 WeakPolarHBondContact O-CB 3.43Å; E465-S469 PolarHBondContact O-N 3.47Å; E465-S469 PolarHBondContact O-OG 3.21Å; S469-T471 PolarHBondContact O-N 2.87Å
470	Q	54.9	Low	70.5	Confident	73 Å²	73	57.7 Å²	57.7	34%	0.341	33%	0.33	S	S	.	.			trans	-83.5	15.9	173.9	-53.9	177.2	3.3	0	0	110.7	H400 C468	H400-Q470 HydrophobicContact CB-CB 3.93Å; H400-Q470 WeakPolarHBondContact ND1-CB 3.26Å; H400-Q470 PolarHBondContact ND1-OE1 2.86Å; C468-Q470 PolarHBondContact O-N 2.9Å; C468-Q470 VanDerWaalsContact O-N 3.16Å
471	T	43.2	Very low	70.7	Confident	110 Å²	110	57.7 Å²	57.7	68%	0.675	33%	0.33	S	S	*	.			trans	-127.3	23.3	-159.7	61.3	0	0	0	0	114.4	S469 G473	S469-T471 PolarHBondContact O-N 2.87Å; T471-G473 PolarHBondContact O-N 2.89Å
472	T	44.5	Very low	71	Confident	51 Å²	51	54.3 Å²	54.3	31%	0.313	31%	0.312	S	S	.	.	S	Bend	trans	-58.8	131.7	142.3	48.1	0	0	0	0	107.1	H474 I478	T472-H474 PolarHBondContact O-N 3.06Å; T472-I478 HydrophobicContact CG2-CD1 4.07Å
473	G	40.3	Very low	71.4	Confident	75 Å²	75	51.3 Å²	51.3	77%	0.773	29%	0.292	S	S	*	.	S	Bend	trans	-72.3	46.6	178.3	0	0	0	0	0	113.1	T471	T471-G473 PolarHBondContact O-N 2.89Å
474	H	45.8	Very low	71.8	Confident	48 Å²	48	50.9 Å²	50.9	22%	0.222	29%	0.29	C	S	.	.	S	Bend	trans	-135.1	124	-178	-61	-0.1	0	0	0	105.1	T472 D476 Q731 Q890	T472-H474 PolarHBondContact O-N 3.06Å; H474-D476 PolarHBondContact O-N 3.16Å; H474-Q731 PolarHBondContact CE1-NE2 3.46Å; H474-Q731 VanDerWaalsContact CE1-NE2 3.26Å; H474-Q731 PolarHBondContact NE2-NE2 2.97Å; H474-Q890 PolarHBondContact CD2-NE2 2.78Å; H474-Q890 PolarHBondContact CE1-NE2 2.62Å; H474-Q890 PolarHBondContact NE2-NE2 2.94Å
475	D	45.4	Very low	72.2	Confident	109 Å²	109	49.5 Å²	49.5	58%	0.583	28%	0.281	S	S	*	.	S	Bend	trans	-65.3	-18.1	-179.3	-65.4	-61.9	0	0	0	112.6
476	D	55.2	Low	72.9	Confident	23 Å²	23	42.7 Å²	42.7	12%	0.123	25%	0.249	C	C	.	.	S	Bend	trans	-88.7	114.2	168.4	-76.9	-45.2	0	0	0	111.1	R397 H474 T891	R397-D476 IonicContact CZ-OD1 3.55Å; R397-D476 IonicContact NH1-OD1 3.32Å; R397-D476 PolarHBondContact NH1-OD1 2.97Å; R397-D476 IonicContact NH1-OD2 3.17Å; R397-D476 IonicContact NH2-OD1 2.81Å; H474-D476 PolarHBondContact O-N 3.16Å; D476-T891 PolarHBondContact OD1-OG1 3.04Å; D476-T891 WeakPolarHBondContact OD2-CA 3.27Å; D476-T891 PolarHBondContact OD2-N 2.9Å; D476-T891 PolarHBondContact OD2-OG1 2.86Å
477	G	66.7	Low	73.4	Confident	19 Å²	19	35.9 Å²	35.9	20%	0.196	22%	0.218	C	C	.	.			trans	-66	178.6	174.1	0	0	0	0	0	114.5	R397	R397-G477 WeakPolarHBondContact CD-O 3.46Å; R397-G477 WeakPolarHBondContact CG-O 3.48Å
478	I	79.7	Confident	73.3	Confident	73 Å²	73	38.1 Å²	38.1	37%	0.374	24%	0.236	S	C	.	.			trans	-89.7	143.4	178.2	-61.5	174.1	0	0	0	110.4	T472	T472-I478 HydrophobicContact CG2-CD1 4.07Å
479	W	88.3	Confident	72.8	Confident	21 Å²	21	39.4 Å²	39.4	8%	0.08	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	120.8	169	-75.7	107.1	0	0	0	110.5	H307 L356 A358 W395 R397 D555 T557	H307-W479 AromaticContact CD2-CD1 3.34Å; H307-W479 AromaticContact CD2-CG 3.54Å; H307-W479 AromaticContact CD2-NE1 3.85Å; H307-W479 WeakPolarHBondContact NE2-CB 3.46Å; H307-W479 AromaticContact NE2-CD1 3.7Å; H307-W479 AromaticContact NE2-CG 3.68Å; L356-W479 HydrophobicContact CD1-CZ2 4.12Å; A358-W479 HydrophobicContact CB-CH2 3.9Å; A358-W479 HydrophobicContact CB-CZ2 3.97Å; W395-W479 HydrophobicContact CB-CE3 3.91Å; W395-W479 HydrophobicContact CB-CZ3 4.12Å; W395-W479 HydrophobicContact CE3-CB 4.21Å; R397-W479 HydrophobicContact CB-CD2 3.63Å; R397-W479 HydrophobicContact CB-CE3 3.62Å; R397-W479 HydrophobicContact CB-CG 4.18Å; R397-W479 HydrophobicContact CB-CH2 4.17Å; R397-W479 HydrophobicContact CB-CZ2 4.18Å; R397-W479 HydrophobicContact CB-CZ3 3.89Å; W479-D555 HydrophobicContact CH2-CB 3.5Å; W479-D555 HydrophobicContact CZ2-CB 3.91Å; W479-D555 HydrophobicContact CZ3-CB 4.31Å; W479-D555 WeakPolarHBondContact CZ3-O 3.45Å; W479-T557 HydrophobicContact CE3-CG2 4.25Å; W479-T557 HydrophobicContact CH2-CG2 3.75Å; W479-T557 HydrophobicContact CZ2-CG2 4.38Å; W479-T557 HydrophobicContact CZ3-CG2 3.68Å
480	H	92.6	Very high	72.3	Confident	15 Å²	15	42 Å²	42	7%	0.069	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	145.1	170.4	-67.7	-76.8	0	0	0	110.2	W395 L396 Y482 D504	W395-H480 WeakPolarHBondContact CA-O 3.23Å; L396-H480 PolarHBondContact N-O 3.44Å; L396-H480 PolarHBondContact O-N 2.82Å; H480-Y482 HydrophobicContact CB-CD2 4.4Å; H480-Y482 HydrophobicContact CB-CE2 3.54Å; H480-D504 VanDerWaalsContact CA-OD1 3.29Å; H480-D504 WeakPolarHBondContact CA-OD1 3.35Å; H480-D504 IonicContact CE1-OD2 4Å; H480-D504 IonicContact CG-OD2 2.72Å; H480-D504 IonicContact ND1-OD1 3.3Å; H480-D504 IonicContact ND1-OD2 3.45Å; H480-D504 PolarHBondContact ND1-OD2 2.92Å
481	H	95.9	Very high	72.1	Confident	3 Å²	3	43.9 Å²	43.9	1%	0.014	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.2	175.1	177.8	-87.6	0	0	0	110.1	S393 W395 I503 D504 S576	S393-H481 PolarHBondContact OG-CE1 3.16Å; S393-H481 PolarHBondContact OG-NE2 2.89Å; W395-H481 AromaticContact CD1-CD2 3.97Å; W395-H481 HydrophobicContact CD2-CB 3.87Å; W395-H481 AromaticContact CE2-CD2 3.75Å; W395-H481 HydrophobicContact CE3-CB 3.74Å; W395-H481 HydrophobicContact CH2-CB 3.91Å; W395-H481 HydrophobicContact CZ2-CB 4.02Å; W395-H481 HydrophobicContact CZ3-CB 3.75Å; W395-H481 AromaticContact NE1-CD2 3.64Å; H481-I503 CarbonylContact O-C 3.53Å; H481-I503 WeakPolarHBondContact O-CA 3.39Å; H481-D504 PolarHBondContact N-OD1 3.33Å; H481-D504 PolarHBondContact O-N 3.48Å; H481-S576 VanDerWaalsContact CG-CB 3.47Å; H481-S576 VanDerWaalsContact ND1-CB 3.34Å; H481-S576 WeakPolarHBondContact ND1-CB 3.42Å
482	Y	96.5	Very high	72.2	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.3	178.2	-58.9	-90.4	0	0	0	109.2	S393 F394 L396 F440 L463 I467 H480 I501 I503	S393-Y482 CarbonylContact C-O 3.53Å; S393-Y482 WeakPolarHBondContact CA-O 3.26Å; F394-Y482 HydrophobicContact CD2-CD2 4.33Å; F394-Y482 AromaticContact CE2-CD2 3.91Å; F394-Y482 HydrophobicContact CE2-CD2 3.91Å; F394-Y482 HydrophobicContact CE2-CG 4.07Å; F394-Y482 HydrophobicContact CZ-CG 4.48Å; F394-Y482 PolarHBondContact N-O 3.49Å; F394-Y482 PolarHBondContact O-N 3.5Å; L396-Y482 HydrophobicContact CB-CD2 3.92Å; L396-Y482 HydrophobicContact CB-CE2 3.81Å; L396-Y482 HydrophobicContact CD2-CE2 4.21Å; L396-Y482 HydrophobicContact CG-CE2 4.34Å; F440-Y482 AromaticContact CE2-CD1 3.51Å; F440-Y482 HydrophobicContact CE2-CD1 3.51Å; F440-Y482 AromaticContact CE2-CE1 3.55Å; F440-Y482 HydrophobicContact CE2-CE1 3.55Å; F440-Y482 HydrophobicContact CE2-CG 4.42Å; F440-Y482 AromaticContact CZ-CD1 3.43Å; F440-Y482 HydrophobicContact CZ-CD1 3.43Å; F440-Y482 VanDerWaalsContact CZ-CD1 3.43Å; F440-Y482 AromaticContact CZ-CE1 3.73Å; F440-Y482 HydrophobicContact CZ-CE1 3.73Å; F440-Y482 AromaticContact CZ-CG 3.9Å; F440-Y482 HydrophobicContact CZ-CG 3.9Å; L463-Y482 HydrophobicContact CD1-CE1 4.31Å; I467-Y482 HydrophobicContact CG2-CE1 4.44Å; I467-Y482 WeakPolarHBondContact CG2-OH 3.47Å; H480-Y482 HydrophobicContact CB-CD2 4.4Å; H480-Y482 HydrophobicContact CB-CE2 3.54Å; Y482-I501 HydrophobicContact CD1-CD1 4.34Å; Y482-I503 HydrophobicContact CD1-CD1 4.19Å; Y482-I503 HydrophobicContact CD1-CG1 3.98Å; Y482-I503 HydrophobicContact CD1-CG2 4.25Å; Y482-I503 HydrophobicContact CE1-CD1 4.01Å; Y482-I503 HydrophobicContact CE1-CG1 4.2Å; Y482-I503 HydrophobicContact CE1-CG2 4Å
483	A	97	Very high	72.2	Confident	1 Å²	1	40 Å²	40	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119	169	0	0	0	0	0	110.2	M392 S393 I501 L502 L572	M392-A483 CarbonylContact O-C 3.54Å; M392-A483 VanDerWaalsContact O-CA 3.26Å; M392-A483 WeakPolarHBondContact O-CA 3.5Å; S393-A483 WeakPolarHBondContact OG-CB 3.46Å; A483-I501 WeakPolarHBondContact O-CA 3.24Å; A483-L502 HydrophobicContact CB-CB 4.25Å; A483-L502 PolarHBondContact N-O 2.68Å; A483-L502 PolarHBondContact O-N 2.82Å; A483-L572 HydrophobicContact CB-CD1 3.89Å; A483-L572 HydrophobicContact CB-CD2 3.91Å; A483-L572 HydrophobicContact CB-CG 4.33Å
484	I	95.7	Very high	72.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.6	177.6	-67	165.6	0	0	0	107.7	T391 M392 I433 F440 V442 I499 T500 I501	T391-I484 WeakPolarHBondContact CA-O 3.37Å; M392-I484 PolarHBondContact N-O 3.43Å; M392-I484 PolarHBondContact O-N 3.37Å; I433-I484 HydrophobicContact CD1-CD1 4.07Å; I433-I484 HydrophobicContact CG2-CD1 3.54Å; F440-I484 HydrophobicContact CD1-CD1 4.12Å; F440-I484 HydrophobicContact CE1-CD1 4.23Å; V442-I484 HydrophobicContact CG2-CD1 4.27Å; V442-I484 HydrophobicContact CG2-CG2 4.47Å; I484-I499 HydrophobicContact CG2-CD1 3.92Å; I484-I499 HydrophobicContact CG2-CG1 4.12Å; I484-T500 WeakPolarHBondContact CA-O 3.28Å; I484-I501 HydrophobicContact CD1-CD1 4.42Å; I484-I501 HydrophobicContact CG1-CB 4.47Å; I484-I501 HydrophobicContact CG1-CD1 4.03Å; I484-I501 HydrophobicContact CG1-CG1 3.96Å
485	T	94.5	Very high	73.1	Confident	15 Å²	15	41.9 Å²	41.9	9%	0.092	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.9	-179.4	-66.1	0	0	0	0	109.7	F390 T391 I499 T500 I566	F390-T485 WeakPolarHBondContact O-CA 3.33Å; T391-T485 WeakPolarHBondContact CG2-OG1 3.28Å; T391-T485 PolarHBondContact OG1-OG1 3.07Å; T485-I499 CarbonylContact O-C 3.55Å; T485-I499 VanDerWaalsContact O-CA 3.3Å; T485-I499 WeakPolarHBondContact O-CA 3.21Å; T485-I499 WeakPolarHBondContact O-CG1 3.38Å; T485-T500 PolarHBondContact N-O 3.38Å; T485-T500 PolarHBondContact O-N 2.79Å; T485-I566 HydrophobicContact CG2-CB 4.19Å; T485-I566 HydrophobicContact CG2-CD1 4.13Å; T485-I566 HydrophobicContact CG2-CG1 3.82Å; T485-I566 HydrophobicContact CG2-CG2 3.48Å; T485-I566 VanDerWaalsContact CG2-CG2 3.48Å
486	F	92.7	Very high	73.8	Confident	18 Å²	18	44.1 Å²	44.1	8%	0.079	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.9	175.9	174.8	-102.8	0	0	0	109.8	D389 F390 I444 F458 P498 I499	D389-F486 WeakPolarHBondContact CA-O 3.48Å; F390-F486 HydrophobicContact CD1-CB 3.82Å; F390-F486 AromaticContact CD1-CD1 3.87Å; F390-F486 HydrophobicContact CD1-CD1 3.87Å; F390-F486 HydrophobicContact CD1-CG 4.23Å; F390-F486 HydrophobicContact CD2-CB 4.42Å; F390-F486 HydrophobicContact CE1-CB 3.48Å; F390-F486 VanDerWaalsContact CE1-CB 3.48Å; F390-F486 AromaticContact CE1-CD1 3.71Å; F390-F486 HydrophobicContact CE1-CD1 3.71Å; F390-F486 AromaticContact CE1-CG 3.78Å; F390-F486 HydrophobicContact CE1-CG 3.78Å; F390-F486 HydrophobicContact CE2-CB 4.12Å; F390-F486 HydrophobicContact CG-CB 4.28Å; F390-F486 HydrophobicContact CZ-CB 3.63Å; F390-F486 HydrophobicContact CZ-CG 4.29Å; F390-F486 PolarHBondContact N-O 2.79Å; F390-F486 VanDerWaalsContact N-O 3.07Å; F390-F486 PolarHBondContact O-N 3.47Å; I444-F486 HydrophobicContact CD1-CD1 4.24Å; I444-F486 HydrophobicContact CD1-CD2 3.67Å; I444-F486 HydrophobicContact CD1-CE1 4.31Å; I444-F486 HydrophobicContact CD1-CE2 3.75Å; I444-F486 HydrophobicContact CD1-CG 3.94Å; I444-F486 HydrophobicContact CD1-CZ 4.07Å; F458-F486 HydrophobicContact CE2-CE2 4.35Å; F458-F486 HydrophobicContact CZ-CE2 4.16Å; F486-P498 WeakPolarHBondContact CA-O 3.48Å; F486-P498 WeakPolarHBondContact CD2-O 3.41Å; F486-P498 HydrophobicContact CE2-CB 4.49Å; F486-I499 HydrophobicContact CB-CG1 4.43Å; F486-I499 HydrophobicContact CD2-CB 4.3Å
487	S	88.4	Confident	74.8	Confident	8 Å²	8	45.2 Å²	45.2	6%	0.056	28%	0.278	C	S	.	.			trans	-123.4	122.4	173.6	-170.9	0	0	0	0	110	S489 S492 P498	S487-S489 VanDerWaalsContact C-N 3.26Å; S487-S489 PolarHBondContact OG-N 2.9Å; S487-S489 PolarHBondContact OG-O 2.84Å; S487-S492 PolarHBondContact OG-OG 3.43Å; S487-P498 PolarHBondContact N-O 2.05Å
488	S	79.8	Confident	75.7	Confident	74 Å²	74	46.8 Å²	46.8	52%	0.517	29%	0.285	S	S	.	.	S	Bend	trans	-72.2	-22.7	173.7	64.5	0	0	0	0	112.6	D387 D389	D387-S488 WeakPolarHBondContact O-CB 3.47Å; D389-S488 WeakPolarHBondContact OD1-CB 3.45Å; D389-S488 PolarHBondContact OD1-N 3.08Å; D389-S488 PolarHBondContact OD1-OG 2.75Å
489	S	66.9	Low	76.3	Confident	37 Å²	37	43.5 Å²	43.5	26%	0.259	27%	0.269	S	S	.	.			trans	-108.6	122	-178.2	127.4	0	0	0	0	110.7	S487 S491 S492	S487-S489 VanDerWaalsContact C-N 3.26Å; S487-S489 PolarHBondContact OG-N 2.9Å; S487-S489 PolarHBondContact OG-O 2.84Å; S489-S491 PolarHBondContact O-N 2.84Å; S489-S491 VanDerWaalsContact O-N 3.15Å; S489-S491 PolarHBondContact OG-N 2.9Å; S489-S491 PolarHBondContact OG-OG 3.16Å; S489-S492 WeakPolarHBondContact CB-OG 3.32Å; S489-S492 PolarHBondContact O-N 3.18Å; S489-S492 PolarHBondContact O-OG 3.48Å; S489-S492 VanDerWaalsContact O-OG 3.07Å; S489-S492 PolarHBondContact OG-N 3.38Å; S489-S492 PolarHBondContact OG-OG 3.08Å
490	S	55.1	Low	76.5	Confident	104 Å²	104	44.7 Å²	44.7	73%	0.727	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-6.2	171.9	65.7	0	0	0	0	113.1
491	S	49.1	Very low	76.5	Confident	114 Å²	114	44.3 Å²	44.3	80%	0.797	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-11.5	174.9	34.1	0	0	0	0	114.4	S489	S489-S491 PolarHBondContact O-N 2.84Å; S489-S491 VanDerWaalsContact O-N 3.15Å; S489-S491 PolarHBondContact OG-N 2.9Å; S489-S491 PolarHBondContact OG-OG 3.16Å
492	S	45.9	Very low	76.4	Confident	52 Å²	52	45.3 Å²	45.3	36%	0.364	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-9.8	-178.8	43.5	0	0	0	0	113.9	S487 S489	S487-S492 PolarHBondContact OG-OG 3.43Å; S489-S492 WeakPolarHBondContact CB-OG 3.32Å; S489-S492 PolarHBondContact O-N 3.18Å; S489-S492 PolarHBondContact O-OG 3.48Å; S489-S492 VanDerWaalsContact O-OG 3.07Å; S489-S492 PolarHBondContact OG-N 3.38Å; S489-S492 PolarHBondContact OG-OG 3.08Å
493	A	44	Very low	76.3	Confident	27 Å²	27	45.2 Å²	45.2	22%	0.223	28%	0.281	C	S	.	.			trans	-81	139.9	178.5	0	0	0	0	0	111.7	S495	A493-S495 CarbonylContact C-O 3.46Å; A493-S495 WeakPolarHBondContact CB-O 3.44Å
494	I	50.2	Low	76.1	Confident	128 Å²	128	45.9 Å²	45.9	66%	0.656	29%	0.285	S	S	*	.	S	Bend	trans	-74.5	-30	-179.4	-63.9	170.4	0	0	0	111	P569 M588	I494-P569 HydrophobicContact CD1-CG 3.49Å; I494-P569 VanDerWaalsContact CD1-CG 3.49Å; I494-M588 HydrophobicContact CD1-SD 4.12Å
495	S	54.6	Low	75.9	Confident	34 Å²	34	46.1 Å²	46.1	24%	0.238	29%	0.288	C	S	.	.	S	Bend	trans	-109.3	167	163.9	66.9	0	0	0	0	109.8	A493 D497	A493-S495 CarbonylContact C-O 3.46Å; A493-S495 WeakPolarHBondContact CB-O 3.44Å; S495-D497 WeakPolarHBondContact CB-OD2 3.41Å; S495-D497 PolarHBondContact O-N 2.82Å; S495-D497 VanDerWaalsContact O-N 3.1Å; S495-D497 WeakPolarHBondContact OG-CB 3.05Å; S495-D497 PolarHBondContact OG-N 2.85Å; S495-D497 PolarHBondContact OG-OD2 3.01Å
496	N	60.9	Low	75.7	Confident	157 Å²	157	50.4 Å²	50.4	84%	0.84	31%	0.306	S	S	*	.	S	Bend	trans	-71.3	5.2	171.2	-73	-26	0	0	0	113.2
497	D	77.3	Confident	75.4	Confident	45 Å²	45	54.5 Å²	54.5	24%	0.241	33%	0.329	C	S	.	.			trans	-87.6	126	-177.3	-49.3	-51	0	0	0	109.1	S495 I499 T500 K511	S495-D497 WeakPolarHBondContact CB-OD2 3.41Å; S495-D497 PolarHBondContact O-N 2.82Å; S495-D497 VanDerWaalsContact O-N 3.1Å; S495-D497 WeakPolarHBondContact OG-CB 3.05Å; S495-D497 PolarHBondContact OG-N 2.85Å; S495-D497 PolarHBondContact OG-OD2 3.01Å; D497-I499 PolarHBondContact O-N 2.88Å; D497-T500 HydrophobicContact CB-CG2 4.38Å; D497-K511 IonicContact OD2-NZ 3.81Å; D497-K511 PolarHBondContact OD2-NZ 3.23Å
498	P	85	Confident	75.3	Confident	53 Å²	53	57.2 Å²	57.2	34%	0.344	34%	0.343	S	S	.	.	S	Bend	trans	-70.9	-14.9	-177.7	30.3	-37.7	0	0	0	113.3	F458 F486 S487	F458-P498 HydrophobicContact CE1-CG 3.72Å; F458-P498 HydrophobicContact CZ-CG 4.29Å; F486-P498 WeakPolarHBondContact CA-O 3.48Å; F486-P498 WeakPolarHBondContact CD2-O 3.41Å; F486-P498 HydrophobicContact CE2-CB 4.49Å; S487-P498 PolarHBondContact N-O 2.05Å
499	I	91.4	Very high	75.5	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.021	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	138.9	176.1	-161.2	176.9	0	0	0	109.5	V442 F458 F460 I484 T485 F486 D497 A512	V442-I499 HydrophobicContact CB-CD1 3.84Å; V442-I499 HydrophobicContact CG1-CD1 3.7Å; V442-I499 HydrophobicContact CG2-CD1 4.05Å; F458-I499 HydrophobicContact CB-CG2 4Å; F458-I499 HydrophobicContact CD1-CB 4.43Å; F458-I499 HydrophobicContact CD1-CG2 3.5Å; F458-I499 VanDerWaalsContact CD1-CG2 3.5Å; F458-I499 HydrophobicContact CD2-CD1 4.22Å; F458-I499 HydrophobicContact CD2-CG2 4.37Å; F458-I499 HydrophobicContact CE1-CG2 4.01Å; F458-I499 HydrophobicContact CG-CD1 4.38Å; F458-I499 HydrophobicContact CG-CG2 3.7Å; F460-I499 HydrophobicContact CE2-CD1 4.18Å; F460-I499 HydrophobicContact CE2-CG2 4.39Å; F460-I499 HydrophobicContact CZ-CD1 4.07Å; F460-I499 HydrophobicContact CZ-CG1 4.08Å; F460-I499 HydrophobicContact CZ-CG2 3.87Å; I484-I499 HydrophobicContact CG2-CD1 3.92Å; I484-I499 HydrophobicContact CG2-CG1 4.12Å; T485-I499 CarbonylContact O-C 3.55Å; T485-I499 VanDerWaalsContact O-CA 3.3Å; T485-I499 WeakPolarHBondContact O-CA 3.21Å; T485-I499 WeakPolarHBondContact O-CG1 3.38Å; F486-I499 HydrophobicContact CB-CG1 4.43Å; F486-I499 HydrophobicContact CD2-CB 4.3Å; D497-I499 PolarHBondContact O-N 2.88Å; I499-A512 HydrophobicContact CG2-CB 3.67Å
500	T	92.3	Very high	76.4	Confident	46 Å²	46	57.9 Å²	57.9	28%	0.282	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	154.5	177.7	59.4	0	0	0	0	110.8	I484 T485 D497	I484-T500 WeakPolarHBondContact CA-O 3.28Å; T485-T500 PolarHBondContact N-O 3.38Å; T485-T500 PolarHBondContact O-N 2.79Å; D497-T500 HydrophobicContact CB-CG2 4.38Å
501	I	93.7	Very high	77.9	Confident	7 Å²	7	56.3 Å²	56.3	4%	0.036	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.2	174.6	-168.5	169.8	0	0	0	110.1	F440 F460 Y482 A483 I484 I503 I510	F440-I501 HydrophobicContact CB-CD1 4.47Å; F440-I501 HydrophobicContact CD1-CD1 4.32Å; F440-I501 HydrophobicContact CD2-CD1 3.41Å; F440-I501 VanDerWaalsContact CD2-CD1 3.41Å; F440-I501 HydrophobicContact CE1-CD1 4.42Å; F440-I501 HydrophobicContact CE2-CD1 3.54Å; F440-I501 HydrophobicContact CG-CD1 3.82Å; F440-I501 HydrophobicContact CZ-CD1 4.06Å; F460-I501 HydrophobicContact CD1-CB 4.27Å; F460-I501 HydrophobicContact CD1-CG2 3.6Å; F460-I501 HydrophobicContact CE1-CB 3.73Å; F460-I501 HydrophobicContact CE1-CG2 3.49Å; F460-I501 VanDerWaalsContact CE1-CG2 3.49Å; F460-I501 HydrophobicContact CZ-CB 4.21Å; F460-I501 HydrophobicContact CZ-CG2 4.41Å; Y482-I501 HydrophobicContact CD1-CD1 4.34Å; A483-I501 WeakPolarHBondContact O-CA 3.24Å; I484-I501 HydrophobicContact CD1-CD1 4.42Å; I484-I501 HydrophobicContact CG1-CB 4.47Å; I484-I501 HydrophobicContact CG1-CD1 4.03Å; I484-I501 HydrophobicContact CG1-CG1 3.96Å; I501-I503 HydrophobicContact CD1-CG1 4.44Å; I501-I503 HydrophobicContact CG1-CG1 4.19Å; I501-I510 HydrophobicContact CG2-CB 4.12Å; I501-I510 HydrophobicContact CG2-CG2 4.2Å
502	L	93.7	Very high	79.7	Confident	23 Å²	23	51.6 Å²	51.6	12%	0.12	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.6	173.5	-162.4	80.7	0	0	0	107.9	A483 Q506 D507 L572	A483-L502 HydrophobicContact CB-CB 4.25Å; A483-L502 PolarHBondContact N-O 2.68Å; A483-L502 PolarHBondContact O-N 2.82Å; L502-Q506 WeakPolarHBondContact CD1-O 2.9Å; L502-D507 HydrophobicContact CD1-CB 4.15Å; L502-L572 HydrophobicContact CD2-CB 3.55Å; L502-L572 HydrophobicContact CD2-CD1 4.35Å
503	I	94.3	Very high	81.4	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.6	179.3	-52.6	-177.7	0	0	0	108.4	L463 I467 H481 Y482 I501 G505 Q506 L508 I510	L463-I503 HydrophobicContact CD2-CD1 3.4Å; I467-I503 HydrophobicContact CD1-CG2 4.06Å; I467-I503 HydrophobicContact CG2-CG2 4.26Å; H481-I503 CarbonylContact O-C 3.53Å; H481-I503 WeakPolarHBondContact O-CA 3.39Å; Y482-I503 HydrophobicContact CD1-CD1 4.19Å; Y482-I503 HydrophobicContact CD1-CG1 3.98Å; Y482-I503 HydrophobicContact CD1-CG2 4.25Å; Y482-I503 HydrophobicContact CE1-CD1 4.01Å; Y482-I503 HydrophobicContact CE1-CG1 4.2Å; Y482-I503 HydrophobicContact CE1-CG2 4Å; I501-I503 HydrophobicContact CD1-CG1 4.44Å; I501-I503 HydrophobicContact CG1-CG1 4.19Å; I503-G505 PolarHBondContact O-N 2.89Å; I503-Q506 PolarHBondContact N-O 2.87Å; I503-Q506 PolarHBondContact O-N 2.78Å; I503-L508 HydrophobicContact CB-CD1 4.08Å; I503-L508 HydrophobicContact CD1-CD1 4.31Å; I503-I510 HydrophobicContact CD1-CD1 3.72Å
504	D	93.3	Very high	83.4	Confident	16 Å²	16	58.2 Å²	58.2	9%	0.086	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	17.1	-178.1	-74.8	-16.7	0	0	0	114.3	P302 H480 H481 S576 Q577	P302-D504 HydrophobicContact CB-CB 4.43Å; P302-D504 HydrophobicContact CG-CB 3.45Å; P302-D504 VanDerWaalsContact CG-CB 3.45Å; P302-D504 VanDerWaalsContact CG-CG 3.4Å; H480-D504 VanDerWaalsContact CA-OD1 3.29Å; H480-D504 WeakPolarHBondContact CA-OD1 3.35Å; H480-D504 IonicContact CE1-OD2 4Å; H480-D504 IonicContact CG-OD2 2.72Å; H480-D504 IonicContact ND1-OD1 3.3Å; H480-D504 IonicContact ND1-OD2 3.45Å; H480-D504 PolarHBondContact ND1-OD2 2.92Å; H481-D504 PolarHBondContact N-OD1 3.33Å; H481-D504 PolarHBondContact O-N 3.48Å; D504-S576 PolarHBondContact O-OG 3.03Å; D504-Q577 WeakPolarHBondContact O-CG 2.99Å; D504-Q577 PolarHBondContact O-NE2 3.27Å
505	G	90.8	Very high	84.8	Confident	5 Å²	5	54.6 Å²	54.6	5%	0.052	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	6	-176.3	0	0	0	0	0	114.9	I503 R573 S576	I503-G505 PolarHBondContact O-N 2.89Å; G505-R573 WeakPolarHBondContact O-CB 3.44Å; G505-R573 VanDerWaalsContact O-CG 3.26Å; G505-R573 WeakPolarHBondContact O-CG 3.46Å; G505-S576 WeakPolarHBondContact CA-OG 3.1Å; G505-S576 PolarHBondContact N-OG 2.9Å; G505-S576 VanDerWaalsContact N-OG 3.08Å
506	Q	89.9	Confident	85.9	Confident	104 Å²	104	57.1 Å²	57.1	49%	0.486	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.4	-179.4	-57.5	-178.5	24.3	0	0	109.8	L502 I503 L508	L502-Q506 WeakPolarHBondContact CD1-O 2.9Å; I503-Q506 PolarHBondContact N-O 2.87Å; I503-Q506 PolarHBondContact O-N 2.78Å; Q506-L508 HydrophobicContact CB-CD2 4.07Å
507	D	86.9	Confident	86.5	Confident	105 Å²	105	55.5 Å²	55.5	56%	0.561	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	121	164.4	-170.7	-14.2	0	0	0	106.9	L502 D509	L502-D507 HydrophobicContact CD1-CB 4.15Å; D507-D509 PolarHBondContact OD1-N 2.93Å
508	L	86.8	Confident	85.8	Confident	65 Å²	65	58.3 Å²	58.3	34%	0.34	31%	0.307	S	S	.	.			trans	-101.7	13.2	-177.9	-59.8	-180	0	0	0	111.7	P464 I467 I503 Q506 I510	P464-L508 HydrophobicContact CG-CD1 4.38Å; I467-L508 HydrophobicContact CD1-CD1 3.49Å; I467-L508 VanDerWaalsContact CD1-CD1 3.49Å; I503-L508 HydrophobicContact CB-CD1 4.08Å; I503-L508 HydrophobicContact CD1-CD1 4.31Å; Q506-L508 HydrophobicContact CB-CD2 4.07Å; L508-I510 HydrophobicContact CB-CD1 3.84Å; L508-I510 HydrophobicContact CB-CG1 3.85Å; L508-I510 HydrophobicContact CD1-CD1 4.17Å; L508-I510 PolarHBondContact O-N 3.08Å
509	D	84.1	Confident	84.7	Confident	106 Å²	106	57.6 Å²	57.6	57%	0.567	30%	0.303	S	S	*	.			trans	55.3	28.1	-174.7	-156.6	34.8	0	0	0	113.5	D507 K511	D507-D509 PolarHBondContact OD1-N 2.93Å; D509-K511 PolarHBondContact O-N 2.99Å; D509-K511 VanDerWaalsContact O-N 3.1Å; D509-K511 WeakPolarHBondContact OD1-CE 3.3Å; D509-K511 IonicContact OD1-NZ 3.99Å; D509-K511 PolarHBondContact OD1-NZ 2.72Å
510	I	86	Confident	82.7	Confident	19 Å²	19	65.4 Å²	65.4	10%	0.097	34%	0.344	C	S	.	.			trans	-73.5	102.2	178.2	-60.1	170.7	0	0	0	107.8	F460 D461 L463 I501 I503 L508	F460-I510 HydrophobicContact CB-CG2 4.09Å; F460-I510 HydrophobicContact CD1-CG2 4.05Å; D461-I510 HydrophobicContact CB-CG2 4.02Å; L463-I510 HydrophobicContact CD2-CD1 3.91Å; I501-I510 HydrophobicContact CG2-CB 4.12Å; I501-I510 HydrophobicContact CG2-CG2 4.2Å; I503-I510 HydrophobicContact CD1-CD1 3.72Å; L508-I510 HydrophobicContact CB-CD1 3.84Å; L508-I510 HydrophobicContact CB-CG1 3.85Å; L508-I510 HydrophobicContact CD1-CD1 4.17Å; L508-I510 PolarHBondContact O-N 3.08Å
511	K	86	Confident	80.6	Confident	70 Å²	70	69.2 Å²	69.2	30%	0.304	36%	0.359	S	S	.	.			trans	-79.5	153.6	-178.8	-62.1	-48.5	-171.6	-165.5	0	111.5	F460 D461 D497 D509	F460-K511 CarbonylContact C-O 3.56Å; F460-K511 VanDerWaalsContact CA-O 3.32Å; F460-K511 WeakPolarHBondContact CA-O 3.29Å; D461-K511 PolarHBondContact N-O 2.75Å; D461-K511 PolarHBondContact OD2-N 3.3Å; D497-K511 IonicContact OD2-NZ 3.81Å; D497-K511 PolarHBondContact OD2-NZ 3.23Å; D509-K511 PolarHBondContact O-N 2.99Å; D509-K511 VanDerWaalsContact O-N 3.1Å; D509-K511 WeakPolarHBondContact OD1-CE 3.3Å; D509-K511 IonicContact OD1-NZ 3.99Å; D509-K511 PolarHBondContact OD1-NZ 2.72Å
512	A	86.8	Confident	78.3	Confident	15 Å²	15	75.6 Å²	75.6	12%	0.124	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.2	169.5	0	0	0	0	0	109.5	F458 V459 F460 I499 P514	F458-A512 HydrophobicContact CB-CB 4.19Å; V459-A512 WeakPolarHBondContact O-CA 3.41Å; F460-A512 HydrophobicContact CD1-CB 3.85Å; F460-A512 HydrophobicContact CD2-CB 4.17Å; F460-A512 HydrophobicContact CE1-CB 3.79Å; F460-A512 HydrophobicContact CE2-CB 4.11Å; F460-A512 HydrophobicContact CG-CB 4.06Å; F460-A512 HydrophobicContact CZ-CB 3.94Å; I499-A512 HydrophobicContact CG2-CB 3.67Å; A512-P514 VanDerWaalsContact O-CD 3.29Å; A512-P514 WeakPolarHBondContact O-CD 3.31Å
513	M	82.5	Confident	75.8	Confident	143 Å²	143	77.7 Å²	77.7	70%	0.704	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.9	168.2	-73.9	-162.3	165.7	0	0	109.6	V459 T515	V459-M513 PolarHBondContact N-O 2.73Å; V459-M513 PolarHBondContact O-N 2.84Å; M513-T515 PolarHBondContact O-N 2.81Å
514	P	84.1	Confident	73.6	Confident	75 Å²	75	82.2 Å²	82.2	49%	0.487	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	120.4	173.7	30.9	-32.4	0	0	0	110.2	F458 A512	F458-P514 HydrophobicContact CD1-CB 3.93Å; F458-P514 HydrophobicContact CE1-CB 3.78Å; A512-P514 VanDerWaalsContact O-CD 3.29Å; A512-P514 WeakPolarHBondContact O-CD 3.31Å
515	T	81.3	Confident	71.4	Confident	53 Å²	53	83.9 Å²	83.9	33%	0.325	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	115.9	165.5	48.8	0	0	0	0	108.4	L457 M513	L457-T515 WeakPolarHBondContact CB-OG1 3.48Å; L457-T515 PolarHBondContact N-O 2.87Å; L457-T515 PolarHBondContact O-N 2.81Å; L457-T515 PolarHBondContact O-OG1 2.77Å; M513-T515 PolarHBondContact O-N 2.81Å
516	V	77.8	Confident	69.3	Low	86 Å²	86	88.1 Å²	88.1	52%	0.521	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.5	-176.5	-170.7	0	0	0	0	108.9	T456 E518	T456-V516 HydrophobicContact CG2-CG1 4.29Å; T456-V516 HydrophobicContact CG2-CG2 4.2Å; V516-E518 HydrophobicContact CG1-CG 4.1Å
517	Y	73.3	Confident	67.4	Low	123 Å²	123	86.9 Å²	86.9	48%	0.482	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	115.4	173.2	-58.5	-93.4	0	0	0	108.4	S455 L457	S455-Y517 PolarHBondContact N-O 3.49Å; S455-Y517 PolarHBondContact O-N 2.65Å; L457-Y517 HydrophobicContact CB-CE2 4.14Å; L457-Y517 HydrophobicContact CD2-CE2 4.17Å
518	E	62.8	Low	65.5	Low	104 Å²	104	86.3 Å²	86.3	49%	0.486	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	111.1	172.9	-61.5	-162.5	154.5	0	0	109.4	K454 V516 L520	K454-E518 WeakPolarHBondContact CE-OE1 3.38Å; K454-E518 HydrophobicContact CG-CG 4.37Å; K454-E518 IonicContact NZ-OE1 2.65Å; K454-E518 PolarHBondContact NZ-OE1 3.38Å; V516-E518 HydrophobicContact CG1-CG 4.1Å; E518-L520 PolarHBondContact O-N 3.3Å
519	S	60.2	Low	63.7	Low	39 Å²	39	86.6 Å²	86.6	27%	0.273	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	116.3	177	73.8	0	0	0	0	110.4	K453 Q521	K453-S519 PolarHBondContact O-N 3.42Å; S519-Q521 PolarHBondContact O-N 3.26Å
520	L	49.8	Very low	62.2	Low	167 Å²	167	90.9 Å²	90.9	87%	0.874	49%	0.493	S	S	*	.			trans	-65.5	-14	174.3	-67.8	172.5	0	0	0	113.6	E518 T522	E518-L520 PolarHBondContact O-N 3.3Å; L520-T522 PolarHBondContact O-N 3.26Å
521	Q	48.9	Very low	60.9	Low	127 Å²	127	91.3 Å²	91.3	59%	0.593	50%	0.502	S	S	*	.			trans	-82.7	113.5	-178	-68.6	-160.9	4.1	0	0	112.7	S519 S523	S519-Q521 PolarHBondContact O-N 3.26Å; Q521-S523 VanDerWaalsContact C-N 3.28Å; Q521-S523 PolarHBondContact OE1-OG 3.04Å
522	T	44.8	Very low	59.8	Low	141 Å²	141	94.5 Å²	94.5	87%	0.865	52%	0.516	S	S	*	.			trans	-81.8	-6.3	165.5	53.9	0	0	0	0	112.9	L520 S524	L520-T522 PolarHBondContact O-N 3.26Å; T522-S524 PolarHBondContact O-N 2.77Å
523	S	41.6	Very low	59.2	Low	66 Å²	66	95.4 Å²	95.4	46%	0.462	52%	0.521	S	S	.	.	S	Bend	trans	-73.6	117.3	-174.6	40.7	0	0	0	0	112.7	Q521	Q521-S523 VanDerWaalsContact C-N 3.28Å; Q521-S523 PolarHBondContact OE1-OG 3.04Å
524	S	48.4	Very low	59.2	Low	97 Å²	97	90.6 Å²	90.6	68%	0.678	50%	0.495	S	S	*	.			trans	51.9	119.1	171.7	54.4	0	0	0	0	115.9	T522 P526	T522-S524 PolarHBondContact O-N 2.77Å; S524-P526 WeakPolarHBondContact O-CD 3.33Å
525	N	46.6	Very low	59.5	Low	52 Å²	52	87.2 Å²	87.2	28%	0.278	47%	0.472	S	S	.	.			trans	-61.1	111.7	166.2	-174.1	3.1	0	0	0	109	N423 F527	N423-N525 PolarHBondContact ND2-ND2 2.9Å; N525-F527 PolarHBondContact ND2-O 3.5Å; N525-F527 PolarHBondContact O-N 2.03Å; N525-F527 VanDerWaalsContact O-N 3.12Å; N525-F527 PolarHBondContact OD1-N 3.03Å
526	P	46.4	Very low	60.1	Low	93 Å²	93	84.7 Å²	84.7	60%	0.604	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.9	-177.7	-7.9	22.3	0	0	0	111.9	S524	S524-P526 WeakPolarHBondContact O-CD 3.33Å
527	F	50.4	Low	61	Low	78 Å²	78	80.6 Å²	80.6	34%	0.342	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	56.8	-176.9	-50.9	-114.4	0	0	0	108.3	N423 W428 N525 Y529 P543	N423-F527 PolarHBondContact ND2-O 2.85Å; W428-F527 HydrophobicContact CE3-CB 4.43Å; W428-F527 HydrophobicContact CH2-CB 3.83Å; W428-F527 AromaticContact CH2-CD1 3.95Å; W428-F527 HydrophobicContact CH2-CD1 3.95Å; W428-F527 AromaticContact CH2-CD2 3.26Å; W428-F527 HydrophobicContact CH2-CD2 3.26Å; W428-F527 HydrophobicContact CH2-CE1 4.28Å; W428-F527 AromaticContact CH2-CE2 3.65Å; W428-F527 HydrophobicContact CH2-CE2 3.65Å; W428-F527 AromaticContact CH2-CG 3.42Å; W428-F527 HydrophobicContact CH2-CG 3.42Å; W428-F527 VanDerWaalsContact CH2-CG 3.42Å; W428-F527 HydrophobicContact CH2-CZ 4.14Å; W428-F527 HydrophobicContact CZ3-CB 3.5Å; W428-F527 VanDerWaalsContact CZ3-CB 3.5Å; W428-F527 HydrophobicContact CZ3-CD1 4.46Å; W428-F527 AromaticContact CZ3-CD2 3.28Å; W428-F527 HydrophobicContact CZ3-CD2 3.28Å; W428-F527 HydrophobicContact CZ3-CE2 4.06Å; W428-F527 AromaticContact CZ3-CG 3.52Å; W428-F527 HydrophobicContact CZ3-CG 3.52Å; N525-F527 PolarHBondContact ND2-O 3.5Å; N525-F527 PolarHBondContact O-N 2.03Å; N525-F527 VanDerWaalsContact O-N 3.12Å; N525-F527 PolarHBondContact OD1-N 3.03Å; F527-Y529 PolarHBondContact O-N 3.23Å; F527-P543 HydrophobicContact CD1-CG 4.16Å
528	S	46.1	Very low	62	Low	94 Å²	94	74.8 Å²	74.8	66%	0.657	41%	0.409	S	S	*	.			trans	-70.7	49.8	174.8	68.6	0	0	0	0	112.7	Q530	S528-Q530 PolarHBondContact O-N 3.21Å; S528-Q530 VanDerWaalsContact O-N 3.17Å
529	Y	49.9	Very low	63.5	Low	70 Å²	70	69.8 Å²	69.8	28%	0.275	39%	0.386	S	S	.	.			trans	-70	103.1	169.7	179.9	-107.1	0	0	0	109.1	N423 F527 G531 R534 P543	N423-Y529 PolarHBondContact ND2-O 2.87Å; F527-Y529 PolarHBondContact O-N 3.23Å; Y529-G531 VanDerWaalsContact CE1-CA 3.41Å; Y529-G531 PolarHBondContact O-N 2.74Å; Y529-R534 PolarHBondContact OH-NH1 3.38Å; Y529-P543 HydrophobicContact CG-CB 4.37Å
530	Q	51.8	Low	65	Low	196 Å²	196	68.3 Å²	68.3	92%	0.916	38%	0.376	S	S	*	.			trans	-83.1	90.1	166.7	-72.4	-174.9	-17.8	0	0	108.8	S528	S528-Q530 PolarHBondContact O-N 3.21Å; S528-Q530 VanDerWaalsContact O-N 3.17Å
531	G	59.1	Low	66.9	Low	28 Å²	28	60.9 Å²	60.9	29%	0.289	34%	0.336	S	S	.	.	S	Bend	trans	-159.7	177.2	176.5	0	0	0	0	0	112.4	Y529	Y529-G531 VanDerWaalsContact CE1-CA 3.41Å; Y529-G531 PolarHBondContact O-N 2.74Å
532	K	63.2	Low	68.5	Low	138 Å²	138	55.4 Å²	55.4	60%	0.6	31%	0.311	S	S	*	.			trans	-64.3	151.4	-179.8	-65.9	-170.5	179.5	-170.5	0	111.1	D374 R534	D374-K532 WeakPolarHBondContact OD2-CE 3.46Å; D374-K532 IonicContact OD2-NZ 3.86Å; D374-K532 PolarHBondContact OD2-NZ 3.42Å; K532-R534 PolarHBondContact O-N 2.93Å
533	P	73.8	Confident	69.9	Low	34 Å²	34	49.6 Å²	49.6	22%	0.221	28%	0.275	C	S	.	.			trans	-54.3	135	167	21.8	-32.7	0	0	0	110.4	A373 H421 D422 L535	A373-P533 HydrophobicContact CB-CG 4.27Å; H421-P533 CarbonylContact O-C 3.53Å; H421-P533 WeakPolarHBondContact O-CA 3.24Å; D422-P533 HydrophobicContact CB-CB 4Å; D422-P533 WeakPolarHBondContact OD1-CB 3.33Å; P533-L535 HydrophobicContact CB-CD1 4.47Å
534	R	83.6	Confident	71.2	Confident	42 Å²	42	54.3 Å²	54.3	16%	0.158	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.4	174.7	-74.7	-166.6	150.8	126.6	-1.2	110.1	E370 S420 H421 Y529 K532 Y541	E370-R534 WeakPolarHBondContact OE1-CD 3.14Å; E370-R534 WeakPolarHBondContact OE1-CG 3.49Å; E370-R534 IonicContact OE1-CZ 2.69Å; E370-R534 IonicContact OE1-NE 2.9Å; E370-R534 PolarHBondContact OE1-NE 3.42Å; E370-R534 IonicContact OE1-NH2 2.63Å; S420-R534 CarbonylContact C-O 3.55Å; S420-R534 WeakPolarHBondContact CA-O 3.46Å; H421-R534 PolarHBondContact N-O 3.24Å; H421-R534 PolarHBondContact O-N 3.09Å; Y529-R534 PolarHBondContact OH-NH1 3.38Å; K532-R534 PolarHBondContact O-N 2.93Å; R534-Y541 PolarHBondContact NH1-OH 2.9Å; R534-Y541 VanDerWaalsContact NH1-OH 3.14Å
535	L	90.1	Very high	72.7	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.2	172.1	-80.3	70.9	0	0	0	107	I371 A373 W386 F418 C419 P533	I371-L535 HydrophobicContact CB-CB 4.04Å; I371-L535 HydrophobicContact CD1-CB 4.17Å; I371-L535 HydrophobicContact CG1-CB 4.29Å; I371-L535 PolarHBondContact N-O 3.37Å; A373-L535 HydrophobicContact CB-CD1 4.21Å; W386-L535 HydrophobicContact CZ2-CD2 4.48Å; F418-L535 HydrophobicContact CE2-CD2 4.35Å; F418-L535 HydrophobicContact CZ-CD2 4.1Å; F418-L535 HydrophobicContact CZ-CG 4.16Å; C419-L535 CarbonylContact O-C 3.06Å; C419-L535 WeakPolarHBondContact O-CA 3.35Å; P533-L535 HydrophobicContact CB-CD1 4.47Å
536	T	93.1	Very high	74.2	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.6	179.5	57.1	0	0	0	0	111.7	L346 V368 W369 E370 C419 A539	L346-T536 HydrophobicContact CD1-CG2 3.79Å; V368-T536 HydrophobicContact CG2-CG2 4.02Å; W369-T536 CarbonylContact O-C 3.09Å; W369-T536 WeakPolarHBondContact O-CA 3.13Å; E370-T536 HydrophobicContact CB-CG2 4.5Å; E370-T536 HydrophobicContact CG-CG2 4.43Å; C419-T536 PolarHBondContact N-O 2.83Å; C419-T536 PolarHBondContact O-N 3.33Å; C419-T536 PolarHBondContact O-OG1 2.93Å; T536-A539 WeakPolarHBondContact CB-O 3.48Å; T536-A539 PolarHBondContact OG1-O 3.48Å
537	I	96.4	Very high	76.1	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	140.1	171	-70.4	173.6	0	0	0	108.8	L329 L330 F361 W369 I371 I417 F418 A539 L556 F559	L329-I537 HydrophobicContact CB-CD1 3.93Å; L330-I537 HydrophobicContact CD2-CD1 4.34Å; L330-I537 HydrophobicContact CD2-CG2 3.98Å; F361-I537 HydrophobicContact CE1-CG2 4.18Å; F361-I537 WeakPolarHBondContact CE1-O 3.38Å; F361-I537 HydrophobicContact CE2-CG2 4.36Å; F361-I537 HydrophobicContact CZ-CG2 3.73Å; W369-I537 HydrophobicContact CB-CB 4.33Å; W369-I537 PolarHBondContact N-O 3.1Å; W369-I537 PolarHBondContact O-N 2.92Å; I371-I537 HydrophobicContact CD1-CD1 3.75Å; I371-I537 HydrophobicContact CD1-CG1 4.07Å; I371-I537 HydrophobicContact CG1-CD1 4.4Å; I417-I537 WeakPolarHBondContact O-CA 2.97Å; F418-I537 HydrophobicContact CD2-CG1 4.07Å; I537-A539 PolarHBondContact O-N 2.67Å; I537-L556 HydrophobicContact CG2-CD1 3.56Å; I537-F559 HydrophobicContact CD1-CD2 3.88Å; I537-F559 HydrophobicContact CD1-CE2 4.04Å; I537-F559 HydrophobicContact CD1-CG 4.16Å; I537-F559 HydrophobicContact CD1-CZ 4.45Å; I537-F559 HydrophobicContact CG1-CE2 4.25Å; I537-F559 HydrophobicContact CG2-CD2 4.49Å; I537-F559 HydrophobicContact CG2-CE2 4.46Å
538	G	95.5	Very high	77.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	75.4	1	176.6	0	0	0	0	0	115.8	S416 I417 H551 L552	S416-G538 CarbonylContact O-C 3.53Å; S416-G538 WeakPolarHBondContact O-CA 3.38Å; S416-G538 PolarHBondContact O-N 3.44Å; I417-G538 PolarHBondContact O-N 2.85Å; G538-H551 CarbonylContact O-C 3.56Å; G538-H551 WeakPolarHBondContact O-CA 3.42Å; G538-L552 PolarHBondContact O-N 2.87Å
539	A	94.3	Very high	79.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-160.4	166.1	165.2	0	0	0	0	0	109.3	V368 S416 T536 I537 H551	V368-A539 HydrophobicContact CB-CB 3.93Å; V368-A539 HydrophobicContact CG2-CB 3.75Å; S416-A539 PolarHBondContact O-N 3.04Å; S416-A539 VanDerWaalsContact OG-C 3.29Å; S416-A539 PolarHBondContact OG-O 3.22Å; T536-A539 WeakPolarHBondContact CB-O 3.48Å; T536-A539 PolarHBondContact OG1-O 3.48Å; I537-A539 PolarHBondContact O-N 2.67Å; A539-H551 VanDerWaalsContact CB-CD2 3.48Å; A539-H551 WeakPolarHBondContact CB-CD2 3.45Å
540	C	91.7	Very high	81.9	Confident	8 Å²	8	50.8 Å²	50.8	5%	0.054	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.4	172.3	-162.7	0	0	0	0	110.4	S416 C419 T548 R549	S416-C540 PolarHBondContact OG-N 3.45Å; C419-C540 HydrophobicContact CB-CB 3.46Å; C419-C540 VanDerWaalsContact CB-CB 3.46Å; C419-C540 WeakPolarHBondContact CB-SG 3.34Å; C419-C540 WeakPolarHBondContact SG-CA 3.36Å; C419-C540 WeakPolarHBondContact SG-CB 3.39Å; C419-C540 CovalentContact SG-SG 2.05Å; C419-C540 PolarHBondContact SG-SG 3.47Å; C540-T548 WeakPolarHBondContact O-CA 3.31Å; C540-R549 PolarHBondContact N-O 2.79Å; C540-R549 PolarHBondContact O-N 3.14Å
541	Y	88.6	Confident	83.7	Confident	11 Å²	11	42.9 Å²	42.9	4%	0.043	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	121.7	179	175.9	-102.8	0	0	0	110.9	L346 H421 R534 P543 H546 T548	L346-Y541 HydrophobicContact CD1-CD2 4.05Å; L346-Y541 HydrophobicContact CD2-CD2 3.8Å; L346-Y541 HydrophobicContact CD2-CE2 3.7Å; H421-Y541 PolarHBondContact CE1-O 3.36Å; H421-Y541 PolarHBondContact ND1-O 3.09Å; H421-Y541 PolarHBondContact NE2-O 3.27Å; R534-Y541 PolarHBondContact NH1-OH 2.9Å; R534-Y541 VanDerWaalsContact NH1-OH 3.14Å; Y541-P543 HydrophobicContact CD1-CB 4.42Å; Y541-P543 HydrophobicContact CE1-CB 4.02Å; Y541-P543 VanDerWaalsContact O-CD 3.26Å; Y541-P543 WeakPolarHBondContact O-CD 3.01Å; Y541-H546 WeakPolarHBondContact CE2-O 3.5Å; Y541-H546 AromaticContact CZ-ND1 4Å; Y541-H546 PolarHBondContact OH-ND1 3.27Å; Y541-T548 HydrophobicContact CD2-CG2 4.28Å
542	D	82.9	Confident	85.4	Confident	11 Å²	11	41.5 Å²	41.5	6%	0.059	19%	0.19	C	C	.	.			trans	-88.3	108	174	172.9	5.7	0	0	0	109.9	R544 T545 H546 L547 R549	D542-R544 PolarHBondContact O-N 2.97Å; D542-R544 VanDerWaalsContact O-N 3.16Å; D542-R544 VanDerWaalsContact OD1-CB 3.3Å; D542-R544 WeakPolarHBondContact OD1-CB 3.38Å; D542-R544 PolarHBondContact OD1-N 3Å; D542-T545 WeakPolarHBondContact CB-OG1 3.33Å; D542-T545 PolarHBondContact O-N 3.39Å; D542-T545 PolarHBondContact OD1-N 2.86Å; D542-T545 WeakPolarHBondContact OD2-CB 3.02Å; D542-T545 VanDerWaalsContact OD2-CG2 3.28Å; D542-T545 WeakPolarHBondContact OD2-CG2 3.35Å; D542-T545 PolarHBondContact OD2-OG1 3.41Å; D542-H546 VanDerWaalsContact O-CA 3.31Å; D542-H546 WeakPolarHBondContact O-CA 3.29Å; D542-H546 PolarHBondContact O-N 3.21Å; D542-L547 PolarHBondContact N-O 3.06Å; D542-R549 IonicContact OD2-CZ 3.46Å; D542-R549 IonicContact OD2-NH1 3.98Å; D542-R549 PolarHBondContact OD2-NH1 3.11Å
543	P	73.5	Confident	86.5	Confident	19 Å²	19	37.8 Å²	37.8	12%	0.123	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-9.4	-178.3	29.8	-36.3	0	0	0	114.2	F527 Y529 Y541 H546	F527-P543 HydrophobicContact CD1-CG 4.16Å; Y529-P543 HydrophobicContact CG-CB 4.37Å; Y541-P543 HydrophobicContact CD1-CB 4.42Å; Y541-P543 HydrophobicContact CE1-CB 4.02Å; Y541-P543 VanDerWaalsContact O-CD 3.26Å; Y541-P543 WeakPolarHBondContact O-CD 3.01Å; P543-H546 PolarHBondContact O-CE1 3.18Å; P543-H546 VanDerWaalsContact O-CE1 3.28Å; P543-H546 PolarHBondContact O-ND1 2.85Å
544	R	69.4	Low	87.2	Confident	166 Å²	166	36.2 Å²	36.2	63%	0.626	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-38.9	174.5	177	-178.6	61.3	164	-3.3	112.3	D542	D542-R544 PolarHBondContact O-N 2.97Å; D542-R544 VanDerWaalsContact O-N 3.16Å; D542-R544 VanDerWaalsContact OD1-CB 3.3Å; D542-R544 WeakPolarHBondContact OD1-CB 3.38Å; D542-R544 PolarHBondContact OD1-N 3Å
545	T	80	Confident	87.5	Confident	50 Å²	50	34.2 Å²	34.2	31%	0.307	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-11.8	178.8	57.8	0	0	0	0	113.3	D542 L547	D542-T545 WeakPolarHBondContact CB-OG1 3.33Å; D542-T545 PolarHBondContact O-N 3.39Å; D542-T545 PolarHBondContact OD1-N 2.86Å; D542-T545 WeakPolarHBondContact OD2-CB 3.02Å; D542-T545 VanDerWaalsContact OD2-CG2 3.28Å; D542-T545 WeakPolarHBondContact OD2-CG2 3.35Å; D542-T545 PolarHBondContact OD2-OG1 3.41Å; T545-L547 PolarHBondContact O-N 3.13Å
546	H	79.1	Confident	87.8	Confident	115 Å²	115	34 Å²	34	53%	0.532	15%	0.153	S	C	.	.			trans	59.4	13.4	-171.4	-56.3	-55.1	0	0	0	114.7	Y541 D542 P543	Y541-H546 WeakPolarHBondContact CE2-O 3.5Å; Y541-H546 AromaticContact CZ-ND1 4Å; Y541-H546 PolarHBondContact OH-ND1 3.27Å; D542-H546 VanDerWaalsContact O-CA 3.31Å; D542-H546 WeakPolarHBondContact O-CA 3.29Å; D542-H546 PolarHBondContact O-N 3.21Å; P543-H546 PolarHBondContact O-CE1 3.18Å; P543-H546 VanDerWaalsContact O-CE1 3.28Å; P543-H546 PolarHBondContact O-ND1 2.85Å
547	L	84.8	Confident	87.7	Confident	84 Å²	84	34.2 Å²	34.2	44%	0.44	15%	0.154	S	C	.	.			trans	-99.8	155.5	177.6	-61.1	175.8	0	0	0	110.9	D542 T545	D542-L547 PolarHBondContact N-O 3.06Å; T545-L547 PolarHBondContact O-N 3.13Å
548	T	87.9	Confident	87.6	Confident	10 Å²	10	34.9 Å²	34.9	6%	0.061	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	149.7	164.3	64.7	0	0	0	0	110.8	L346 N347 V368 C540 Y541 H551	L346-T548 HydrophobicContact CB-CG2 3.94Å; L346-T548 HydrophobicContact CD1-CG2 4.07Å; N347-T548 VanDerWaalsContact CG-OG1 3.27Å; N347-T548 WeakPolarHBondContact OD1-CG2 3.36Å; N347-T548 PolarHBondContact OD1-OG1 3.28Å; V368-T548 HydrophobicContact CB-CG2 4.41Å; V368-T548 HydrophobicContact CG1-CG2 4.25Å; V368-T548 HydrophobicContact CG2-CG2 4.2Å; C540-T548 WeakPolarHBondContact O-CA 3.31Å; Y541-T548 HydrophobicContact CD2-CG2 4.28Å; T548-H551 PolarHBondContact O-CE1 3.44Å; T548-H551 VanDerWaalsContact O-CE1 3.3Å; T548-H551 PolarHBondContact OG1-NE2 3.18Å
549	R	89.7	Confident	87.6	Confident	108 Å²	108	35 Å²	35	41%	0.408	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	174.7	178.2	-70.5	-170.6	174	123.2	2.5	110.4	C540 D542 H551	C540-R549 PolarHBondContact N-O 2.79Å; C540-R549 PolarHBondContact O-N 3.14Å; D542-R549 IonicContact OD2-CZ 3.46Å; D542-R549 IonicContact OD2-NH1 3.98Å; D542-R549 PolarHBondContact OD2-NH1 3.11Å; R549-H551 VanDerWaalsContact C-N 3.34Å; R549-H551 PolarHBondContact O-N 2.84Å
550	Q	90.8	Very high	87.6	Confident	42 Å²	42	35.1 Å²	35.1	20%	0.196	16%	0.163	C	C	.	.	S	Bend	trans	58.4	47.4	175.2	-58.1	178.5	-26.7	0	0	110.9	E414 S416 N434 L552	E414-Q550 HydrophobicContact CB-CG 4.12Å; E414-Q550 VanDerWaalsContact O-CA 3.26Å; E414-Q550 WeakPolarHBondContact O-CA 3.39Å; E414-Q550 VanDerWaalsContact O-CB 3.27Å; E414-Q550 WeakPolarHBondContact O-CB 3.2Å; E414-Q550 PolarHBondContact OE2-NE2 3.16Å; S416-Q550 VanDerWaalsContact CB-O 3.31Å; S416-Q550 WeakPolarHBondContact CB-O 3.39Å; S416-Q550 PolarHBondContact N-O 2.78Å; N434-Q550 PolarHBondContact ND2-OE1 3.38Å; Q550-L552 PolarHBondContact O-N 3.38Å
551	H	91.2	Very high	87.8	Confident	30 Å²	30	34.8 Å²	34.8	14%	0.139	16%	0.16	C	C	.	.			trans	-67.9	129.2	-175.4	-58.6	88.5	0	0	0	111.2	P363 S366 G538 A539 T548 R549	P363-H551 HydrophobicContact CB-CB 3.77Å; S366-H551 VanDerWaalsContact CA-CD2 3.46Å; S366-H551 WeakPolarHBondContact CA-CD2 3.42Å; S366-H551 PolarHBondContact O-CD2 2.9Å; S366-H551 PolarHBondContact O-NE2 2.03Å; G538-H551 CarbonylContact O-C 3.56Å; G538-H551 WeakPolarHBondContact O-CA 3.42Å; A539-H551 VanDerWaalsContact CB-CD2 3.48Å; A539-H551 WeakPolarHBondContact CB-CD2 3.45Å; T548-H551 PolarHBondContact O-CE1 3.44Å; T548-H551 VanDerWaalsContact O-CE1 3.3Å; T548-H551 PolarHBondContact OG1-NE2 3.18Å; R549-H551 VanDerWaalsContact C-N 3.34Å; R549-H551 PolarHBondContact O-N 2.84Å
552	L	93.3	Very high	88	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.159	C	C	.	.			trans	-66.3	136	179	178.9	65.9	0	0	0	111	F361 L396 E415 I417 G538 Q550 L556	F361-L552 CarbonylContact C-O 3.57Å; F361-L552 HydrophobicContact CB-CB 4.06Å; F361-L552 HydrophobicContact CB-CD2 4.28Å; F361-L552 HydrophobicContact CB-CG 4.26Å; F361-L552 WeakPolarHBondContact CB-O 3.33Å; F361-L552 HydrophobicContact CD2-CD2 4.31Å; F361-L552 HydrophobicContact CG-CD2 4.31Å; L396-L552 HydrophobicContact CD1-CD1 4.36Å; L396-L552 HydrophobicContact CD1-CD2 4.28Å; E415-L552 HydrophobicContact CB-CD1 4.1Å; I417-L552 HydrophobicContact CG1-CD1 4.08Å; G538-L552 PolarHBondContact O-N 2.87Å; Q550-L552 PolarHBondContact O-N 3.38Å; L552-L556 HydrophobicContact CD2-CD1 3.57Å; L552-L556 HydrophobicContact CD2-CD2 4.5Å; L552-L556 HydrophobicContact CD2-CG 3.9Å
553	R	86.5	Confident	88.3	Confident	60 Å²	60	35.9 Å²	35.9	23%	0.226	16%	0.164	C	C	.	.			trans	-104.9	100.2	165.9	-177.1	-179.1	-77.4	118.1	-6.2	110.2	P363 H399	P363-R553 HydrophobicContact CG-CB 4.09Å; H399-R553 HydrophobicContact CB-CG 4.08Å
554	G	89.4	Confident	88.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.2	-178.5	177.6	0	0	0	0	0	114	F361 R397	F361-G554 PolarHBondContact N-O 3.49Å; F361-G554 PolarHBondContact O-N 3.2Å; F361-G554 VanDerWaalsContact O-N 3.09Å; R397-G554 CarbonylContact O-C 3.5Å; R397-G554 WeakPolarHBondContact O-CA 3.35Å
555	D	90.1	Very high	89.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	136.2	179.8	-50.4	-40.9	0	0	0	110.4	I353 W359 R360 L396 R397 H399 W479	I353-D555 HydrophobicContact CD1-CB 4.08Å; I353-D555 VanDerWaalsContact CD1-CG 3.42Å; I353-D555 WeakPolarHBondContact CD1-OD1 3.48Å; W359-D555 CarbonylContact O-C 3.51Å; W359-D555 VanDerWaalsContact O-CA 3.31Å; W359-D555 WeakPolarHBondContact O-CA 3.47Å; R360-D555 WeakPolarHBondContact CA-OD1 3.42Å; R360-D555 WeakPolarHBondContact CB-OD1 3.44Å; R360-D555 VanDerWaalsContact CG-OD1 3.3Å; R360-D555 WeakPolarHBondContact CG-OD1 3.11Å; R360-D555 IonicContact CZ-OD1 3.86Å; R360-D555 IonicContact CZ-OD2 2.79Å; R360-D555 IonicContact NE-OD1 2.87Å; R360-D555 PolarHBondContact NE-OD1 2.96Å; R360-D555 IonicContact NE-OD2 3.63Å; R360-D555 IonicContact NH2-OD1 3.72Å; R360-D555 PolarHBondContact NH2-OD1 2.85Å; R360-D555 IonicContact NH2-OD2 3.18Å; R360-D555 PolarHBondContact NH2-OD2 2.78Å; L396-D555 WeakPolarHBondContact CA-O 3.33Å; R397-D555 HydrophobicContact CB-CB 4.32Å; R397-D555 IonicContact CZ-OD2 3.22Å; R397-D555 PolarHBondContact N-O 2.84Å; R397-D555 IonicContact NE-OD2 3.37Å; R397-D555 PolarHBondContact NE-OD2 2.92Å; R397-D555 IonicContact NH2-OD2 3.09Å; R397-D555 PolarHBondContact NH2-OD2 2.82Å; R397-D555 PolarHBondContact O-N 3.3Å; H399-D555 IonicContact CE1-OD1 2.86Å; H399-D555 PolarHBondContact CE1-OD1 3.08Å; H399-D555 IonicContact CE1-OD2 3.84Å; H399-D555 PolarHBondContact CE1-OD2 2.86Å; H399-D555 VanDerWaalsContact NE2-CG 3.29Å; H399-D555 IonicContact NE2-OD1 3.42Å; H399-D555 PolarHBondContact NE2-OD1 2.82Å; H399-D555 IonicContact NE2-OD2 2.67Å; H399-D555 PolarHBondContact NE2-OD2 2.72Å; W479-D555 HydrophobicContact CH2-CB 3.5Å; W479-D555 HydrophobicContact CZ2-CB 3.91Å; W479-D555 HydrophobicContact CZ3-CB 4.31Å; W479-D555 WeakPolarHBondContact CZ3-O 3.45Å
556	L	94.7	Very high	90.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144.1	177.1	-73.4	173.2	0	0	0	111.5	L330 W359 F361 F394 W395 L396 I537 L552 F559	L330-L556 HydrophobicContact CD1-CB 3.99Å; L330-L556 HydrophobicContact CD2-CB 4.21Å; W359-L556 PolarHBondContact N-O 2.91Å; W359-L556 PolarHBondContact O-N 3.45Å; F361-L556 HydrophobicContact CD2-CB 4.46Å; F361-L556 HydrophobicContact CD2-CD1 4.11Å; F361-L556 HydrophobicContact CD2-CG 4.38Å; F361-L556 HydrophobicContact CE2-CB 4.06Å; F361-L556 HydrophobicContact CE2-CD1 3.79Å; F361-L556 HydrophobicContact CE2-CG 4.27Å; F361-L556 HydrophobicContact CZ-CD1 4.39Å; F394-L556 HydrophobicContact CD2-CD2 3.98Å; W395-L556 WeakPolarHBondContact O-CA 3.28Å; W395-L556 WeakPolarHBondContact O-CD2 3.29Å; L396-L556 HydrophobicContact CB-CD2 3.81Å; L396-L556 HydrophobicContact CD1-CD2 3.74Å; L396-L556 HydrophobicContact CD1-CG 4.24Å; L396-L556 HydrophobicContact CG-CD2 4.31Å; I537-L556 HydrophobicContact CG2-CD1 3.56Å; L552-L556 HydrophobicContact CD2-CD1 3.57Å; L552-L556 HydrophobicContact CD2-CD2 4.5Å; L552-L556 HydrophobicContact CD2-CG 3.9Å; L556-F559 HydrophobicContact CD1-CD2 4.42Å
557	T	92.7	Very high	90.8	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.025	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	162.4	169.6	-176.8	0	0	0	0	110.8	H307 I312 A358 W395 W479 F559	H307-T557 HydrophobicContact CB-CG2 3.82Å; H307-T557 WeakPolarHBondContact O-CG2 3.36Å; H307-T557 PolarHBondContact O-OG1 3.31Å; I312-T557 HydrophobicContact CD1-CG2 3.96Å; I312-T557 WeakPolarHBondContact CD1-OG1 3.25Å; A358-T557 HydrophobicContact CB-CG2 4.37Å; W395-T557 HydrophobicContact CB-CG2 3.67Å; W395-T557 WeakPolarHBondContact CB-O 3.34Å; W395-T557 HydrophobicContact CG-CG2 4.3Å; W395-T557 PolarHBondContact N-O 3.46Å; W395-T557 PolarHBondContact O-N 2.92Å; W395-T557 VanDerWaalsContact O-N 3.1Å; W479-T557 HydrophobicContact CE3-CG2 4.25Å; W479-T557 HydrophobicContact CH2-CG2 3.75Å; W479-T557 HydrophobicContact CZ2-CG2 4.38Å; W479-T557 HydrophobicContact CZ3-CG2 3.68Å; T557-F559 VanDerWaalsContact C-N 3.3Å; T557-F559 PolarHBondContact O-N 2.82Å
558	G	92.9	Very high	90.9	Very high	15 Å²	15	29 Å²	29	16%	0.155	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.1	32.6	176.6	0	0	0	0	0	115.7	T560	G558-T560 PolarHBondContact O-N 2.8Å
559	F	96.4	Very high	90.9	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	117.1	-178.5	-156.8	-47	0	0	0	111	L329 L330 M392 S393 F394 I417 F418 I537 L556 T557	L329-F559 HydrophobicContact CB-CB 4.27Å; L329-F559 HydrophobicContact CB-CD1 4.01Å; L329-F559 HydrophobicContact CB-CG 4.29Å; L329-F559 HydrophobicContact CD1-CD1 3.65Å; L329-F559 HydrophobicContact CD1-CE1 3.83Å; L329-F559 HydrophobicContact CG-CD1 4.27Å; L329-F559 PolarHBondContact N-O 3.03Å; L330-F559 HydrophobicContact CD1-CB 3.87Å; L330-F559 HydrophobicContact CG-CB 3.85Å; M392-F559 HydrophobicContact SD-CE1 4.33Å; S393-F559 CarbonylContact O-C 3.52Å; S393-F559 WeakPolarHBondContact O-CA 3.42Å; F394-F559 HydrophobicContact CB-CB 4.08Å; F394-F559 HydrophobicContact CB-CD1 4.31Å; F394-F559 HydrophobicContact CB-CD2 3.75Å; F394-F559 HydrophobicContact CB-CE2 4.22Å; F394-F559 HydrophobicContact CB-CG 3.79Å; F394-F559 HydrophobicContact CD1-CD2 4.31Å; F394-F559 HydrophobicContact CD1-CE1 4.17Å; F394-F559 AromaticContact CD1-CE2 3.92Å; F394-F559 HydrophobicContact CD1-CE2 3.92Å; F394-F559 AromaticContact CD1-CZ 3.83Å; F394-F559 HydrophobicContact CD1-CZ 3.83Å; F394-F559 HydrophobicContact CE1-CZ 4.36Å; F394-F559 HydrophobicContact CG-CD2 4.12Å; F394-F559 HydrophobicContact CG-CE2 4.09Å; F394-F559 HydrophobicContact CG-CZ 4.44Å; I417-F559 HydrophobicContact CG2-CE2 3.85Å; I417-F559 HydrophobicContact CG2-CZ 4.44Å; F418-F559 HydrophobicContact CB-CZ 3.99Å; F418-F559 HydrophobicContact CD2-CZ 4.14Å; F418-F559 HydrophobicContact CG-CZ 4.39Å; I537-F559 HydrophobicContact CD1-CD2 3.88Å; I537-F559 HydrophobicContact CD1-CE2 4.04Å; I537-F559 HydrophobicContact CD1-CG 4.16Å; I537-F559 HydrophobicContact CD1-CZ 4.45Å; I537-F559 HydrophobicContact CG1-CE2 4.25Å; I537-F559 HydrophobicContact CG2-CD2 4.49Å; I537-F559 HydrophobicContact CG2-CE2 4.46Å; L556-F559 HydrophobicContact CD1-CD2 4.42Å; T557-F559 VanDerWaalsContact C-N 3.3Å; T557-F559 PolarHBondContact O-N 2.82Å
560	T	95	Very high	90.9	Very high	4 Å²	4	26 Å²	26	3%	0.025	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	159.2	-178.8	73.7	0	0	0	0	113.7	Q316 I326 T327 M392 S393 G558	Q316-T560 VanDerWaalsContact NE2-CG2 3.3Å; I326-T560 CarbonylContact O-C 3.55Å; I326-T560 WeakPolarHBondContact O-CA 3.4Å; I326-T560 WeakPolarHBondContact O-CB 3.49Å; T327-T560 HydrophobicContact CG2-CG2 4.12Å; M392-T560 WeakPolarHBondContact CA-O 3.3Å; S393-T560 WeakPolarHBondContact CB-OG1 3.4Å; S393-T560 PolarHBondContact N-O 3.18Å; S393-T560 VanDerWaalsContact N-O 3.11Å; S393-T560 PolarHBondContact O-N 2.87Å; S393-T560 PolarHBondContact O-OG1 2.9Å; G558-T560 PolarHBondContact O-N 2.8Å
561	L	94.3	Very high	91	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	122.4	174.8	167.7	63	0	0	0	111.1	I326 L329 W386 F390 M392 R563	I326-L561 WeakPolarHBondContact CB-O 3.21Å; I326-L561 PolarHBondContact N-O 3.3Å; I326-L561 PolarHBondContact O-N 2.85Å; L329-L561 HydrophobicContact CD1-CB 3.64Å; L329-L561 HydrophobicContact CD1-CD2 4.45Å; L329-L561 HydrophobicContact CG-CB 4.49Å; W386-L561 HydrophobicContact CH2-CD2 3.97Å; W386-L561 HydrophobicContact CZ3-CD1 4.19Å; W386-L561 HydrophobicContact CZ3-CD2 4.23Å; F390-L561 HydrophobicContact CB-CD1 4.46Å; M392-L561 HydrophobicContact CE-CD1 3.88Å; M392-L561 HydrophobicContact CE-CD2 4.4Å; M392-L561 HydrophobicContact CG-CD1 3.73Å; L561-R563 HydrophobicContact CD1-CG 4.34Å; L561-R563 HydrophobicContact CD2-CG 4.18Å; L561-R563 HydrophobicContact CG-CG 4.13Å
562	L	93.2	Very high	91.1	Very high	3 Å²	3	23 Å²	23	2%	0.016	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.9	164.7	179.8	57.5	0	0	0	109	D322 T325 F390 T391 K565 E567	D322-L562 HydrophobicContact CB-CD1 4.12Å; D322-L562 HydrophobicContact CB-CD2 4.17Å; T325-L562 HydrophobicContact CG2-CB 4.31Å; F390-L562 WeakPolarHBondContact CA-O 3.31Å; F390-L562 WeakPolarHBondContact CB-O 3.34Å; T391-L562 PolarHBondContact N-O 3.47Å; T391-L562 PolarHBondContact O-N 2.9Å; L562-K565 HydrophobicContact CD1-CB 4.07Å; L562-K565 HydrophobicContact CD1-CD 4.11Å; L562-K565 HydrophobicContact CD2-CB 3.95Å; L562-K565 HydrophobicContact CG-CB 3.86Å; L562-E567 HydrophobicContact CD2-CB 3.89Å
563	R	88.7	Confident	91	Very high	43 Å²	43	23.9 Å²	23.9	16%	0.162	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	148.8	-178.5	-79.2	179.9	51.6	171.3	-1.4	111.9	F377 V384 L561 K565	F377-R563 VanDerWaalsContact CD1-NH1 3.28Å; F377-R563 VanDerWaalsContact CE1-NH1 3.27Å; V384-R563 HydrophobicContact CG1-CG 4.21Å; L561-R563 HydrophobicContact CD1-CG 4.34Å; L561-R563 HydrophobicContact CD2-CG 4.18Å; L561-R563 HydrophobicContact CG-CG 4.13Å; R563-K565 PolarHBondContact O-N 3.46Å; R563-K565 VanDerWaalsContact O-N 3.11Å
564	E	86.4	Confident	91.4	Very high	114 Å²	114	21.6 Å²	21.6	53%	0.533	11%	0.11	S	C	.	.	S	Bend	trans	57.5	22.2	172.2	-65.8	159.1	-136.3	0	0	113.1	D389	D389-E564 CarbonylContact O-C 3.37Å; D389-E564 WeakPolarHBondContact O-CA 3.43Å; D389-E564 PolarHBondContact O-N 3.4Å
565	K	88.1	Confident	91.6	Very high	90 Å²	90	22 Å²	22	39%	0.391	11%	0.112	S	C	.	.	S	Bend	trans	-163.1	158.6	-170.7	-79	-177	173.2	-177.6	0	109.8	D322 D389 F390 L562 R563	D322-K565 IonicContact OD1-NZ 2.79Å; D322-K565 IonicContact OD2-NZ 3.26Å; D322-K565 PolarHBondContact OD2-NZ 3.48Å; D389-K565 PolarHBondContact O-N 3.37Å; D389-K565 VanDerWaalsContact O-N 3.08Å; F390-K565 CarbonylContact C-O 3.4Å; F390-K565 VanDerWaalsContact CA-O 3.3Å; F390-K565 WeakPolarHBondContact CA-O 3.28Å; L562-K565 HydrophobicContact CD1-CB 4.07Å; L562-K565 HydrophobicContact CD1-CD 4.11Å; L562-K565 HydrophobicContact CD2-CB 3.95Å; L562-K565 HydrophobicContact CG-CB 3.86Å; R563-K565 PolarHBondContact O-N 3.46Å; R563-K565 VanDerWaalsContact O-N 3.11Å
566	I	89.5	Confident	91.8	Very high	61 Å²	61	22 Å²	22	31%	0.313	11%	0.112	S	C	.	.			trans	-111.6	136.7	173.1	-67.5	168.4	0	0	0	108.8	D389 T485	D389-I566 HydrophobicContact CB-CD1 4.39Å; D389-I566 HydrophobicContact CB-CG1 4.12Å; T485-I566 HydrophobicContact CG2-CB 4.19Å; T485-I566 HydrophobicContact CG2-CD1 4.13Å; T485-I566 HydrophobicContact CG2-CG1 3.82Å; T485-I566 HydrophobicContact CG2-CG2 3.48Å; T485-I566 VanDerWaalsContact CG2-CG2 3.48Å
567	E	90.7	Very high	91.7	Very high	12 Å²	12	22.5 Å²	22.5	6%	0.056	11%	0.114	C	C	.	.			trans	-79.4	146.3	174	-173.6	53.2	-91.6	0	0	110.3	L321 D322 T391 L562 T571 L572	L321-E567 HydrophobicContact CD1-CG 4.19Å; L321-E567 WeakPolarHBondContact CD1-OE2 3.34Å; D322-E567 PolarHBondContact N-OE2 2.86Å; T391-E567 HydrophobicContact CG2-CB 4.04Å; T391-E567 PolarHBondContact OG1-N 2.98Å; L562-E567 HydrophobicContact CD2-CB 3.89Å; E567-T571 HydrophobicContact CG-CG2 4.07Å; E567-T571 VanDerWaalsContact OE1-CB 3.27Å; E567-T571 WeakPolarHBondContact OE1-CB 3.37Å; E567-T571 WeakPolarHBondContact OE1-CG2 3.25Å; E567-T571 PolarHBondContact OE1-OG1 2.9Å; E567-L572 HydrophobicContact CB-CD2 4.03Å; E567-L572 HydrophobicContact CB-CG 4.19Å; E567-L572 HydrophobicContact CG-CD2 3.75Å; E567-L572 HydrophobicContact CG-CG 3.96Å
568	S	88.1	Confident	91.6	Very high	12 Å²	12	22.4 Å²	22.4	8%	0.084	11%	0.114	C	C	.	.			trans	-65.9	134.4	-177.3	124.7	0	0	0	0	110.3	N570 T571 L572	S568-N570 PolarHBondContact O-N 2.83Å; S568-N570 VanDerWaalsContact O-N 3.11Å; S568-N570 PolarHBondContact OG-N 2.75Å; S568-T571 VanDerWaalsContact CB-OG1 3.29Å; S568-T571 WeakPolarHBondContact CB-OG1 3.41Å; S568-T571 WeakPolarHBondContact O-CA 3.49Å; S568-T571 VanDerWaalsContact O-CB 3.26Å; S568-T571 WeakPolarHBondContact O-CB 3.27Å; S568-T571 PolarHBondContact O-N 2.8Å; S568-T571 PolarHBondContact OG-N 3.26Å; S568-T571 PolarHBondContact OG-OG1 3.5Å; S568-L572 PolarHBondContact O-N 2.88Å
569	P	87.9	Confident	91.4	Very high	46 Å²	46	22.3 Å²	22.3	30%	0.299	11%	0.113	S	C	.	.	H	α-helix	trans	-56.6	-31.9	179.1	-26.2	33.2	0	0	0	113.3	I494 L572 R573	I494-P569 HydrophobicContact CD1-CG 3.49Å; I494-P569 VanDerWaalsContact CD1-CG 3.49Å; P569-L572 PolarHBondContact O-N 3.49Å; P569-R573 WeakPolarHBondContact O-CB 3.26Å; P569-R573 PolarHBondContact O-N 3.42Å
570	N	89.1	Confident	91.1	Very high	9 Å²	9	22.8 Å²	22.8	5%	0.048	12%	0.116	C	C	.	.	H	α-helix	trans	-70.8	-31.1	173.8	-91.9	-5.1	0	0	0	113.6	S568 C574 I584 V587 L599	S568-N570 PolarHBondContact O-N 2.83Å; S568-N570 VanDerWaalsContact O-N 3.11Å; S568-N570 PolarHBondContact OG-N 2.75Å; N570-C574 VanDerWaalsContact O-CB 3.22Å; N570-C574 WeakPolarHBondContact O-CB 3.29Å; N570-C574 PolarHBondContact O-N 3.41Å; N570-I584 WeakPolarHBondContact CB-O 3.5Å; N570-I584 PolarHBondContact ND2-N 2.76Å; N570-I584 PolarHBondContact ND2-O 3.1Å; N570-V587 HydrophobicContact CB-CG1 4.5Å; N570-L599 VanDerWaalsContact ND2-CD1 3.33Å; N570-L599 WeakPolarHBondContact ND2-CD1 3.29Å; N570-L599 WeakPolarHBondContact OD1-CD1 3.44Å
571	T	92	Very high	91	Very high	4 Å²	4	23 Å²	23	3%	0.025	12%	0.118	C	C	.	.	H	α-helix	trans	-68.7	-46.1	173.7	-47.6	0	0	0	0	109.2	C319 L321 E567 S568 C574 I575	C319-T571 HydrophobicContact CB-CG2 4.45Å; L321-T571 HydrophobicContact CD1-CG2 4.28Å; E567-T571 HydrophobicContact CG-CG2 4.07Å; E567-T571 VanDerWaalsContact OE1-CB 3.27Å; E567-T571 WeakPolarHBondContact OE1-CB 3.37Å; E567-T571 WeakPolarHBondContact OE1-CG2 3.25Å; E567-T571 PolarHBondContact OE1-OG1 2.9Å; S568-T571 VanDerWaalsContact CB-OG1 3.29Å; S568-T571 WeakPolarHBondContact CB-OG1 3.41Å; S568-T571 WeakPolarHBondContact O-CA 3.49Å; S568-T571 VanDerWaalsContact O-CB 3.26Å; S568-T571 WeakPolarHBondContact O-CB 3.27Å; S568-T571 PolarHBondContact O-N 2.8Å; S568-T571 PolarHBondContact OG-N 3.26Å; S568-T571 PolarHBondContact OG-OG1 3.5Å; T571-C574 WeakPolarHBondContact O-CB 3.35Å; T571-C574 PolarHBondContact O-N 3.06Å; T571-C574 VanDerWaalsContact O-N 3.16Å; T571-I575 PolarHBondContact O-N 3.01Å
572	L	93.7	Very high	91	Very high	5 Å²	5	23 Å²	23	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-59.6	-45.4	174.6	-63.4	176.2	0	0	0	112.3	T391 A483 L502 E567 S568 P569 C574 I575 S576	T391-L572 HydrophobicContact CG2-CD1 4.12Å; T391-L572 HydrophobicContact CG2-CD2 4.01Å; A483-L572 HydrophobicContact CB-CD1 3.89Å; A483-L572 HydrophobicContact CB-CD2 3.91Å; A483-L572 HydrophobicContact CB-CG 4.33Å; L502-L572 HydrophobicContact CD2-CB 3.55Å; L502-L572 HydrophobicContact CD2-CD1 4.35Å; E567-L572 HydrophobicContact CB-CD2 4.03Å; E567-L572 HydrophobicContact CB-CG 4.19Å; E567-L572 HydrophobicContact CG-CD2 3.75Å; E567-L572 HydrophobicContact CG-CG 3.96Å; S568-L572 PolarHBondContact O-N 2.88Å; P569-L572 PolarHBondContact O-N 3.49Å; L572-C574 VanDerWaalsContact C-N 3.31Å; L572-C574 PolarHBondContact O-N 3.13Å; L572-I575 HydrophobicContact CD2-CD1 4.16Å; L572-I575 VanDerWaalsContact O-CG1 3.23Å; L572-I575 WeakPolarHBondContact O-CG1 3.47Å; L572-I575 PolarHBondContact O-N 3.33Å; L572-S576 WeakPolarHBondContact O-CB 3.34Å; L572-S576 PolarHBondContact O-N 3.41Å; L572-S576 VanDerWaalsContact O-N 3.16Å; L572-S576 PolarHBondContact O-OG 2.72Å
573	R	92.7	Very high	91	Very high	19 Å²	19	23.3 Å²	23.3	7%	0.072	12%	0.119	C	C	.	.	H	α-helix	trans	-62.7	-34.5	174.1	-174.9	176.2	75.3	130.4	22.2	113.2	G505 P569 S576 Q577 L582 L599 E600	G505-R573 WeakPolarHBondContact O-CB 3.44Å; G505-R573 VanDerWaalsContact O-CG 3.26Å; G505-R573 WeakPolarHBondContact O-CG 3.46Å; P569-R573 WeakPolarHBondContact O-CB 3.26Å; P569-R573 PolarHBondContact O-N 3.42Å; R573-S576 PolarHBondContact O-OG 3.39Å; R573-S576 VanDerWaalsContact O-OG 3.08Å; R573-Q577 PolarHBondContact O-N 3.5Å; R573-L582 PolarHBondContact NH2-O 3.18Å; R573-L599 VanDerWaalsContact NH1-C 3.27Å; R573-L599 PolarHBondContact NH1-O 2.78Å; R573-E600 VanDerWaalsContact NH1-C 3.29Å; R573-E600 PolarHBondContact NH1-O 3.24Å
574	C	93.3	Very high	91.1	Very high	12 Å²	12	21.3 Å²	21.3	8%	0.081	11%	0.112	C	C	.	.	H	α-helix	trans	-71.8	-41.5	177.1	179.9	0	0	0	0	111.9	Q315 C319 N570 T571 L572 S576 Q577 L583	Q315-C574 PolarHBondContact NE2-O 3.16Å; C319-C574 VanDerWaalsContact CA-SG 3.5Å; C319-C574 HydrophobicContact CB-CB 3.62Å; C319-C574 WeakPolarHBondContact CB-SG 3.42Å; C319-C574 WeakPolarHBondContact SG-CB 3.43Å; C319-C574 PolarHBondContact SG-O 3.2Å; C319-C574 CovalentContact SG-SG 2.03Å; C319-C574 PolarHBondContact SG-SG 2.97Å; N570-C574 VanDerWaalsContact O-CB 3.22Å; N570-C574 WeakPolarHBondContact O-CB 3.29Å; N570-C574 PolarHBondContact O-N 3.41Å; T571-C574 WeakPolarHBondContact O-CB 3.35Å; T571-C574 PolarHBondContact O-N 3.06Å; T571-C574 VanDerWaalsContact O-N 3.16Å; L572-C574 VanDerWaalsContact C-N 3.31Å; L572-C574 PolarHBondContact O-N 3.13Å; C574-S576 VanDerWaalsContact C-N 3.31Å; C574-S576 PolarHBondContact O-N 2.87Å; C574-Q577 VanDerWaalsContact O-O 3.06Å; C574-L583 HydrophobicContact CB-CD2 4.37Å
575	I	93.9	Very high	90.9	Very high	9 Å²	9	17.7 Å²	17.7	5%	0.046	10%	0.098	C	C	.	.	H	α-helix	trans	-73.6	-22.5	179.8	63.9	174.2	0	0	0	113.4	Q316 C319 L321 T571 L572	Q316-I575 HydrophobicContact CG-CG2 4.16Å; C319-I575 HydrophobicContact CB-CG2 3.6Å; C319-I575 PolarHBondContact SG-N 3.48Å; L321-I575 HydrophobicContact CD1-CD1 4.16Å; T571-I575 PolarHBondContact O-N 3.01Å; L572-I575 HydrophobicContact CD2-CD1 4.16Å; L572-I575 VanDerWaalsContact O-CG1 3.23Å; L572-I575 WeakPolarHBondContact O-CG1 3.47Å; L572-I575 PolarHBondContact O-N 3.33Å
576	S	94.3	Very high	90.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.6	179.7	68.6	0	0	0	0	114.7	P302 W395 H481 D504 G505 L572 R573 C574	P302-S576 WeakPolarHBondContact CA-O 3.22Å; W395-S576 VanDerWaalsContact CH2-O 3.28Å; W395-S576 WeakPolarHBondContact CH2-O 3.3Å; H481-S576 VanDerWaalsContact CG-CB 3.47Å; H481-S576 VanDerWaalsContact ND1-CB 3.34Å; H481-S576 WeakPolarHBondContact ND1-CB 3.42Å; D504-S576 PolarHBondContact O-OG 3.03Å; G505-S576 WeakPolarHBondContact CA-OG 3.1Å; G505-S576 PolarHBondContact N-OG 2.9Å; G505-S576 VanDerWaalsContact N-OG 3.08Å; L572-S576 WeakPolarHBondContact O-CB 3.34Å; L572-S576 PolarHBondContact O-N 3.41Å; L572-S576 VanDerWaalsContact O-N 3.16Å; L572-S576 PolarHBondContact O-OG 2.72Å; R573-S576 PolarHBondContact O-OG 3.39Å; R573-S576 VanDerWaalsContact O-OG 3.08Å; C574-S576 VanDerWaalsContact C-N 3.31Å; C574-S576 PolarHBondContact O-N 2.87Å
577	Q	93.5	Very high	90.2	Very high	9 Å²	9	13.8 Å²	13.8	4%	0.042	8%	0.083	C	C	.	.			trans	-139	128.1	-174	-61.1	176	2.8	0	0	111.4	A300 P302 Q315 D504 R573 C574 N601	A300-Q577 HydrophobicContact CB-CB 3.98Å; P302-Q577 HydrophobicContact CG-CG 4.31Å; Q315-Q577 PolarHBondContact NE2-O 3.25Å; D504-Q577 WeakPolarHBondContact O-CG 2.99Å; D504-Q577 PolarHBondContact O-NE2 3.27Å; R573-Q577 PolarHBondContact O-N 3.5Å; C574-Q577 VanDerWaalsContact O-O 3.06Å; Q577-N601 PolarHBondContact OE1-ND2 3.08Å; Q577-N601 PolarHBondContact OE1-OD1 3.35Å
578	C	90.7	Very high	89.6	Confident	2 Å²	2	18.1 Å²	18.1	1%	0.014	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-118.1	125.8	-175.3	-55	0	0	0	0	110.3	N301 S304 C305	N301-C578 PolarHBondContact O-N 3.16Å; N301-C578 VanDerWaalsContact O-N 3.09Å; S304-C578 WeakPolarHBondContact CB-O 3.47Å; S304-C578 PolarHBondContact OG-O 3.28Å; C305-C578 WeakPolarHBondContact CA-SG 3.45Å; C305-C578 HydrophobicContact CB-CB 3.9Å; C305-C578 WeakPolarHBondContact CB-SG 3.38Å; C305-C578 WeakPolarHBondContact SG-CB 3.47Å; C305-C578 PolarHBondContact SG-N 2.92Å; C305-C578 CovalentContact SG-SG 2.04Å; C305-C578 PolarHBondContact SG-SG 2.9Å
579	G	88.7	Confident	89.1	Confident	14 Å²	14	24.2 Å²	24.2	14%	0.144	13%	0.131	C	C	.	.	S	Bend	trans	149.7	-149.1	-179.8	0	0	0	0	0	112.4	R625	G579-R625 CarbonylContact O-C 3.57Å
580	E	89.6	Confident	88.8	Confident	11 Å²	11	23 Å²	23	5%	0.051	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-89.6	124.4	178.1	-70.2	175.8	-142.2	0	0	111.2	L297 T299 A300 Y623 A624 P626 Q640 R642	L297-E580 WeakPolarHBondContact CD1-OE2 3.36Å; T299-E580 CarbonylContact C-O 3.53Å; T299-E580 VanDerWaalsContact CA-O 3.25Å; T299-E580 WeakPolarHBondContact CA-O 3.3Å; A300-E580 PolarHBondContact N-O 3.1Å; E580-Y623 HydrophobicContact CB-CE2 4.41Å; E580-Y623 WeakPolarHBondContact CG-OH 3.4Å; E580-Y623 PolarHBondContact OE2-OH 3.35Å; E580-A624 WeakPolarHBondContact CA-O 3.45Å; E580-P626 VanDerWaalsContact CG-CD 3.49Å; E580-P626 HydrophobicContact CG-CG 3.64Å; E580-Q640 PolarHBondContact OE1-NE2 3.02Å; E580-Q640 PolarHBondContact OE1-OE1 3.28Å; E580-R642 IonicContact OE1-CZ 2.97Å; E580-R642 IonicContact OE1-NH2 3.24Å; E580-R642 PolarHBondContact OE1-NH2 2.74Å; E580-R642 IonicContact OE2-CZ 2.83Å; E580-R642 IonicContact OE2-NE 3.22Å; E580-R642 PolarHBondContact OE2-NE 3.48Å; E580-R642 IonicContact OE2-NH2 2.72Å; E580-R642 PolarHBondContact OE2-NH2 2.99Å
581	A	92.6	Very high	88.4	Confident	8 Å²	8	25.9 Å²	25.9	7%	0.066	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	154.4	178	0	0	0	0	0	113.3	A300 N601 Y623 A624	A300-A581 HydrophobicContact CB-CB 3.95Å; A581-N601 CarbonylContact C-O 3.51Å; A581-N601 VanDerWaalsContact CA-O 3.28Å; A581-N601 WeakPolarHBondContact CA-O 3.45Å; A581-N601 HydrophobicContact CB-CB 4.27Å; A581-Y623 WeakPolarHBondContact O-CD2 3.43Å; A581-A624 PolarHBondContact N-O 2.86Å; A581-A624 PolarHBondContact O-N 3.14Å
582	L	94.5	Very high	88.1	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	136.5	157.9	-62.8	-179.9	0	0	0	109.5	L262 L286 L288 R573 N601 I604 I621 Y623 L644	L262-L582 HydrophobicContact CD1-CD2 3.86Å; L286-L582 HydrophobicContact CD2-CD1 4.19Å; L286-L582 HydrophobicContact CG-CD1 4.2Å; L288-L582 HydrophobicContact CB-CD1 3.87Å; L288-L582 HydrophobicContact CB-CD2 4.33Å; L288-L582 HydrophobicContact CB-CG 3.93Å; L288-L582 HydrophobicContact CD2-CD2 4.44Å; L288-L582 HydrophobicContact CD2-CG 4.29Å; R573-L582 PolarHBondContact NH2-O 3.18Å; L582-N601 PolarHBondContact N-O 3.33Å; L582-I604 HydrophobicContact CB-CD1 3.75Å; L582-I604 HydrophobicContact CB-CG1 3.95Å; L582-I621 HydrophobicContact CD2-CG2 4.37Å; L582-Y623 HydrophobicContact CD2-CD2 4.37Å; L582-L644 HydrophobicContact CD2-CD2 4.14Å
583	L	92.3	Very high	87.6	Confident	10 Å²	10	34.3 Å²	34.3	5%	0.052	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	162.1	176.6	63.7	85.8	0	0	0	111.4	P259 C574 P585 S622 A624	P259-L583 HydrophobicContact CB-CD1 3.86Å; P259-L583 HydrophobicContact CB-CD2 4.44Å; P259-L583 HydrophobicContact CB-CG 4.43Å; P259-L583 HydrophobicContact CG-CD1 3.86Å; P259-L583 HydrophobicContact CG-CD2 3.99Å; P259-L583 HydrophobicContact CG-CG 4.41Å; C574-L583 HydrophobicContact CB-CD2 4.37Å; L583-P585 HydrophobicContact CD1-CG 3.78Å; L583-S622 PolarHBondContact N-O 2.8Å; L583-S622 PolarHBondContact O-N 3.35Å; L583-A624 HydrophobicContact CD2-CB 3.84Å
584	I	91.4	Very high	87.3	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.			trans	-113.8	110	170.5	-57.3	172.2	0	0	0	107.1	N570 N586 V587 I597 L599 I604 V617 I621	N570-I584 WeakPolarHBondContact CB-O 3.5Å; N570-I584 PolarHBondContact ND2-N 2.76Å; N570-I584 PolarHBondContact ND2-O 3.1Å; I584-N586 PolarHBondContact O-N 2.65Å; I584-V587 HydrophobicContact CB-CB 4.4Å; I584-V587 HydrophobicContact CB-CG2 4.36Å; I584-V587 HydrophobicContact CD1-CG2 4.41Å; I584-V587 HydrophobicContact CG2-CB 4.32Å; I584-V587 HydrophobicContact CG2-CG2 4.31Å; I584-I597 HydrophobicContact CD1-CD1 4.23Å; I584-I597 HydrophobicContact CD1-CG2 4.09Å; I584-L599 HydrophobicContact CD1-CD2 4.12Å; I584-I604 HydrophobicContact CD1-CG2 4.38Å; I584-I604 HydrophobicContact CG1-CD1 4.09Å; I584-V617 HydrophobicContact CD1-CG1 3.76Å; I584-I621 HydrophobicContact CD1-CG1 4.31Å; I584-I621 HydrophobicContact CG1-CG1 3.98Å
585	P	82.8	Confident	87.2	Confident	38 Å²	38	35.8 Å²	35.8	25%	0.247	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	134	175	-17.3	31.1	0	0	0	109.4	L583 V587 S620 S622	L583-P585 HydrophobicContact CD1-CG 3.78Å; P585-V587 PolarHBondContact O-N 2.82Å; P585-S620 WeakPolarHBondContact CD-O 3.02Å; P585-S622 WeakPolarHBondContact CG-OG 3.41Å
586	N	77.9	Confident	87.1	Confident	60 Å²	60	40.4 Å²	40.4	32%	0.321	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	59.6	-178.8	-63	1.8	0	0	0	113.5	I584 M588 E589	I584-N586 PolarHBondContact O-N 2.65Å; N586-M588 PolarHBondContact O-N 2.65Å; N586-E589 HydrophobicContact CB-CG 3.97Å; N586-E589 WeakPolarHBondContact CB-OE1 3.37Å; N586-E589 PolarHBondContact ND2-OE1 3.22Å; N586-E589 WeakPolarHBondContact O-CB 3.42Å; N586-E589 PolarHBondContact O-N 2.79Å
587	V	83.5	Confident	87	Confident	10 Å²	10	41.5 Å²	41.5	6%	0.061	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-50.6	-31.6	-175.8	69.1	0	0	0	0	114	N570 I584 P585 E589 V590 L591 I597	N570-V587 HydrophobicContact CB-CG1 4.5Å; I584-V587 HydrophobicContact CB-CB 4.4Å; I584-V587 HydrophobicContact CB-CG2 4.36Å; I584-V587 HydrophobicContact CD1-CG2 4.41Å; I584-V587 HydrophobicContact CG2-CB 4.32Å; I584-V587 HydrophobicContact CG2-CG2 4.31Å; P585-V587 PolarHBondContact O-N 2.82Å; V587-E589 PolarHBondContact O-N 3.01Å; V587-V590 PolarHBondContact O-N 3.31Å; V587-V590 VanDerWaalsContact O-N 3.09Å; V587-L591 HydrophobicContact CG1-CD1 4.27Å; V587-L591 HydrophobicContact CG2-CD1 4.03Å; V587-L591 HydrophobicContact CG2-CG 4.1Å; V587-L591 WeakPolarHBondContact O-CG 3.35Å; V587-L591 PolarHBondContact O-N 3.25Å; V587-L591 VanDerWaalsContact O-N 3.11Å; V587-I597 HydrophobicContact CG2-CD1 3.96Å
588	M	78.7	Confident	86.8	Confident	103 Å²	103	45.8 Å²	45.8	51%	0.507	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-60.7	-22.4	175.6	-57.4	-55	-65.8	0	0	114.6	I494 N586 V590 L591	I494-M588 HydrophobicContact CD1-SD 4.12Å; N586-M588 PolarHBondContact O-N 2.65Å; M588-V590 VanDerWaalsContact C-N 3.3Å; M588-L591 HydrophobicContact SD-CD1 3.78Å
589	E	78.6	Confident	86.7	Confident	140 Å²	140	47.5 Å²	47.5	65%	0.654	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-75.9	-18.1	176	-68.7	176.5	-156.8	0	0	113	N586 V587	N586-E589 HydrophobicContact CB-CG 3.97Å; N586-E589 WeakPolarHBondContact CB-OE1 3.37Å; N586-E589 PolarHBondContact ND2-OE1 3.22Å; N586-E589 WeakPolarHBondContact O-CB 3.42Å; N586-E589 PolarHBondContact O-N 2.79Å; V587-E589 PolarHBondContact O-N 3.01Å
590	V	81.4	Confident	86.8	Confident	20 Å²	20	50.2 Å²	50.2	12%	0.121	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-10.8	-172.2	-152.7	0	0	0	0	112.6	V587 M588 C592 D616 V617	V587-V590 PolarHBondContact O-N 3.31Å; V587-V590 VanDerWaalsContact O-N 3.09Å; M588-V590 VanDerWaalsContact C-N 3.3Å; V590-C592 PolarHBondContact O-N 3.35Å; V590-D616 HydrophobicContact CG1-CB 4.14Å; V590-V617 HydrophobicContact CB-CG2 4.43Å; V590-V617 HydrophobicContact CG1-CB 4.39Å; V590-V617 HydrophobicContact CG1-CG2 3.81Å
591	L	80.2	Confident	86.9	Confident	70 Å²	70	50.8 Å²	50.8	37%	0.366	27%	0.273	S	S	.	.			trans	-67.9	119.2	174.8	-81.6	165.3	0	0	0	111.1	V587 M588 I597	V587-L591 HydrophobicContact CG1-CD1 4.27Å; V587-L591 HydrophobicContact CG2-CD1 4.03Å; V587-L591 HydrophobicContact CG2-CG 4.1Å; V587-L591 WeakPolarHBondContact O-CG 3.35Å; V587-L591 PolarHBondContact O-N 3.25Å; V587-L591 VanDerWaalsContact O-N 3.11Å; M588-L591 HydrophobicContact SD-CD1 3.78Å; L591-I597 HydrophobicContact CD2-CB 4.49Å; L591-I597 HydrophobicContact CD2-CD1 3.53Å; L591-I597 HydrophobicContact CD2-CG1 3.8Å; L591-I597 HydrophobicContact CG-CD1 4.15Å
592	C	86.7	Confident	86.9	Confident	39 Å²	39	52.2 Å²	52.2	26%	0.264	28%	0.28	S	S	.	.			trans	-109.8	152	173	-71.4	0	0	0	0	110.3	V590 D594 I595 H613	V590-C592 PolarHBondContact O-N 3.35Å; C592-D594 WeakPolarHBondContact CB-OD1 3.44Å; C592-D594 PolarHBondContact O-N 2.9Å; C592-I595 HydrophobicContact CB-CB 4.45Å; C592-I595 HydrophobicContact CB-CG1 4.14Å; C592-I595 PolarHBondContact O-N 3.27Å; C592-H613 HydrophobicContact CB-CB 4.29Å
593	P	81.4	Confident	87	Confident	146 Å²	146	52.3 Å²	52.3	95%	0.948	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-14.2	-175.3	-24.3	34.8	0	0	0	116.1
594	D	87.5	Confident	87.1	Confident	46 Å²	46	51.8 Å²	51.8	25%	0.246	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	9.5	176.6	71.2	-52.8	0	0	0	113.4	C592 G608 Q609 N610 H613	C592-D594 WeakPolarHBondContact CB-OD1 3.44Å; C592-D594 PolarHBondContact O-N 2.9Å; D594-G608 WeakPolarHBondContact O-CA 3.46Å; D594-Q609 PolarHBondContact O-N 3.28Å; D594-N610 WeakPolarHBondContact OD2-CB 3.2Å; D594-N610 PolarHBondContact OD2-N 3.06Å; D594-N610 VanDerWaalsContact OD2-N 3.08Å; D594-H613 IonicContact OD1-CE1 2.74Å; D594-H613 PolarHBondContact OD1-CE1 2.79Å; D594-H613 IonicContact OD1-CG 2.68Å; D594-H613 IonicContact OD1-ND1 3.35Å; D594-H613 PolarHBondContact OD1-ND1 2.86Å; D594-H613 IonicContact OD2-ND1 2.66Å; D594-H613 PolarHBondContact OD2-ND1 2.59Å
595	I	91.1	Very high	87.3	Confident	16 Å²	16	52.6 Å²	52.6	8%	0.082	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.4	-178.7	-66.3	-74.3	0	0	0	109.9	C592 I597 V606 S607 H613 L614 V617	C592-I595 HydrophobicContact CB-CB 4.45Å; C592-I595 HydrophobicContact CB-CG1 4.14Å; C592-I595 PolarHBondContact O-N 3.27Å; I595-I597 HydrophobicContact CG2-CD1 4.22Å; I595-I597 HydrophobicContact CG2-CG1 3.8Å; I595-V606 HydrophobicContact CD1-CG1 4.47Å; I595-V606 HydrophobicContact CG2-CG1 4.01Å; I595-S607 CarbonylContact C-O 3.34Å; I595-S607 VanDerWaalsContact CA-O 3.3Å; I595-S607 WeakPolarHBondContact CA-O 3.47Å; I595-H613 HydrophobicContact CD1-CB 3.92Å; I595-H613 HydrophobicContact CG1-CB 3.7Å; I595-L614 HydrophobicContact CD1-CB 4.03Å; I595-V617 HydrophobicContact CG2-CG2 4.09Å
596	D	91.2	Very high	88	Confident	106 Å²	106	50.8 Å²	50.8	57%	0.567	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.1	169.9	178.5	31.7	0	0	0	109.9	V606 S607	D596-V606 CarbonylContact O-C 3.51Å; D596-V606 WeakPolarHBondContact O-CA 3.23Å; D596-S607 PolarHBondContact N-O 3.44Å; D596-S607 PolarHBondContact O-N 3.15Å
597	I	91.7	Very high	88.7	Confident	24 Å²	24	49 Å²	49	12%	0.123	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	117.4	-173.9	-47.5	-179.6	0	0	0	110.4	I584 V587 L591 I595 L599 I604 T605 V606 V617	I584-I597 HydrophobicContact CD1-CD1 4.23Å; I584-I597 HydrophobicContact CD1-CG2 4.09Å; V587-I597 HydrophobicContact CG2-CD1 3.96Å; L591-I597 HydrophobicContact CD2-CB 4.49Å; L591-I597 HydrophobicContact CD2-CD1 3.53Å; L591-I597 HydrophobicContact CD2-CG1 3.8Å; L591-I597 HydrophobicContact CG-CD1 4.15Å; I595-I597 HydrophobicContact CG2-CD1 4.22Å; I595-I597 HydrophobicContact CG2-CG1 3.8Å; I597-L599 HydrophobicContact CG2-CD1 4.31Å; I597-L599 HydrophobicContact CG2-CD2 3.54Å; I597-L599 HydrophobicContact CG2-CG 3.79Å; I597-I604 HydrophobicContact CG2-CG2 4.46Å; I597-T605 WeakPolarHBondContact CA-O 3.38Å; I597-V606 HydrophobicContact CG1-CG1 4.48Å; I597-V606 HydrophobicContact CG2-CG2 4.46Å; I597-V617 HydrophobicContact CD1-CG1 3.64Å; I597-V617 HydrophobicContact CD1-CG2 4.08Å; I597-V617 HydrophobicContact CG1-CG1 4.37Å
598	H	90.9	Very high	89.2	Confident	98 Å²	98	48.7 Å²	48.7	45%	0.454	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.9	169.5	169.9	78.1	0	0	0	110.7	E600 T605	H598-E600 IonicContact CD2-OE1 3.12Å; H598-E600 IonicContact CE1-OE1 3.93Å; H598-E600 IonicContact NE2-OE1 3.96Å; H598-E600 PolarHBondContact NE2-OE1 3.05Å; H598-T605 WeakPolarHBondContact CB-OG1 3.39Å; H598-T605 PolarHBondContact CD2-OG1 3.44Å; H598-T605 PolarHBondContact N-O 3.36Å; H598-T605 PolarHBondContact O-N 3.23Å; H598-T605 PolarHBondContact O-OG1 2.9Å; H598-T605 VanDerWaalsContact O-OG1 3.09Å
599	L	88.7	Confident	89.6	Confident	39 Å²	39	49 Å²	49	20%	0.204	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	109.2	-160.4	-64.8	177.2	0	0	0	112.7	N570 R573 I584 I597 I604	N570-L599 VanDerWaalsContact ND2-CD1 3.33Å; N570-L599 WeakPolarHBondContact ND2-CD1 3.29Å; N570-L599 WeakPolarHBondContact OD1-CD1 3.44Å; R573-L599 VanDerWaalsContact NH1-C 3.27Å; R573-L599 PolarHBondContact NH1-O 2.78Å; I584-L599 HydrophobicContact CD1-CD2 4.12Å; I597-L599 HydrophobicContact CG2-CD1 4.31Å; I597-L599 HydrophobicContact CG2-CD2 3.54Å; I597-L599 HydrophobicContact CG2-CG 3.79Å; L599-I604 HydrophobicContact CD2-CB 4.18Å; L599-I604 HydrophobicContact CD2-CD1 3.83Å; L599-I604 HydrophobicContact CD2-CG1 3.66Å; L599-I604 HydrophobicContact CD2-CG2 3.75Å
600	E	90.1	Very high	90	Very high	71 Å²	71	44.8 Å²	44.8	33%	0.332	24%	0.244	S	C	.	.			trans	-106.2	-176.7	169.9	-66.3	161.9	-165.6	0	0	109.3	R573 H598 V603	R573-E600 VanDerWaalsContact NH1-C 3.29Å; R573-E600 PolarHBondContact NH1-O 3.24Å; H598-E600 IonicContact CD2-OE1 3.12Å; H598-E600 IonicContact CE1-OE1 3.93Å; H598-E600 IonicContact NE2-OE1 3.96Å; H598-E600 PolarHBondContact NE2-OE1 3.05Å; E600-V603 CarbonylContact C-O 3.57Å; E600-V603 WeakPolarHBondContact CA-O 3.04Å; E600-V603 HydrophobicContact CB-CB 4.23Å; E600-V603 WeakPolarHBondContact CB-O 3.3Å; E600-V603 PolarHBondContact N-O 3.34Å
601	N	90.8	Very high	90.3	Very high	23 Å²	23	46.7 Å²	46.7	12%	0.123	26%	0.256	C	S	.	.	S	Bend	trans	-89	-36.4	-179.7	-70.7	-12.5	0	0	0	112.5	T299 A300 Q577 A581 L582	T299-N601 HydrophobicContact CG2-CB 3.98Å; A300-N601 PolarHBondContact O-ND2 2.79Å; Q577-N601 PolarHBondContact OE1-ND2 3.08Å; Q577-N601 PolarHBondContact OE1-OD1 3.35Å; A581-N601 CarbonylContact C-O 3.51Å; A581-N601 VanDerWaalsContact CA-O 3.28Å; A581-N601 WeakPolarHBondContact CA-O 3.45Å; A581-N601 HydrophobicContact CB-CB 4.27Å; L582-N601 PolarHBondContact N-O 3.33Å
602	D	93.5	Very high	90.7	Very high	38 Å²	38	49 Å²	49	20%	0.203	27%	0.266	C	S	.	.	S	Bend	trans	-94.8	-7.7	170.7	60.2	-45.3	0	0	0	113	E287 L288 R289 L297 T299	E287-D602 CarbonylContact C-O 3.56Å; E287-D602 WeakPolarHBondContact CA-O 3.3Å; L288-D602 PolarHBondContact N-O 3.01Å; R289-D602 IonicContact CZ-OD2 3.38Å; R289-D602 IonicContact NH1-OD2 3.44Å; R289-D602 PolarHBondContact NH1-OD2 3.23Å; R289-D602 IonicContact NH2-OD2 2.58Å; L297-D602 HydrophobicContact CD2-CB 4.37Å; T299-D602 HydrophobicContact CG2-CB 3.72Å
603	V	95.6	Very high	90.8	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	140.5	-176.9	-169.2	0	0	0	0	113.5	R285 L286 E287 E600	R285-V603 HydrophobicContact CG-CG1 3.64Å; R285-V603 VanDerWaalsContact CZ-CG1 3.5Å; L286-V603 WeakPolarHBondContact O-CA 3.45Å; E287-V603 HydrophobicContact CB-CG2 4.21Å; E287-V603 HydrophobicContact CG-CG1 4.02Å; E287-V603 HydrophobicContact CG-CG2 3.96Å; E600-V603 CarbonylContact C-O 3.57Å; E600-V603 WeakPolarHBondContact CA-O 3.04Å; E600-V603 HydrophobicContact CB-CB 4.23Å; E600-V603 WeakPolarHBondContact CB-O 3.3Å; E600-V603 PolarHBondContact N-O 3.34Å
604	I	95.9	Very high	91.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.9	166.8	-66.8	-176.4	0	0	0	108.8	R285 L286 L582 I584 I597 L599 V606 I621	R285-I604 CarbonylContact C-O 3.57Å; R285-I604 WeakPolarHBondContact CA-O 3.4Å; L286-I604 PolarHBondContact N-O 3.38Å; L286-I604 PolarHBondContact O-N 2.84Å; L582-I604 HydrophobicContact CB-CD1 3.75Å; L582-I604 HydrophobicContact CB-CG1 3.95Å; I584-I604 HydrophobicContact CD1-CG2 4.38Å; I584-I604 HydrophobicContact CG1-CD1 4.09Å; I597-I604 HydrophobicContact CG2-CG2 4.46Å; L599-I604 HydrophobicContact CD2-CB 4.18Å; L599-I604 HydrophobicContact CD2-CD1 3.83Å; L599-I604 HydrophobicContact CD2-CG1 3.66Å; L599-I604 HydrophobicContact CD2-CG2 3.75Å; I604-V606 HydrophobicContact CG2-CG2 4Å; I604-I621 HydrophobicContact CB-CD1 4.23Å; I604-I621 HydrophobicContact CD1-CD1 4.27Å; I604-I621 HydrophobicContact CD1-CG1 4.11Å; I604-I621 HydrophobicContact CD1-CG2 3.87Å; I604-I621 HydrophobicContact CG2-CD1 3.84Å; I604-I621 HydrophobicContact CG2-CG1 4.43Å
605	T	96	Very high	91.5	Very high	17 Å²	17	41.5 Å²	41.5	10%	0.104	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.2	174	34.5	0	0	0	0	109.7	A284 R285 I597 H598	A284-T605 WeakPolarHBondContact O-CA 3.48Å; R285-T605 HydrophobicContact CB-CG2 3.76Å; R285-T605 HydrophobicContact CG-CG2 3.58Å; I597-T605 WeakPolarHBondContact CA-O 3.38Å; H598-T605 WeakPolarHBondContact CB-OG1 3.39Å; H598-T605 PolarHBondContact CD2-OG1 3.44Å; H598-T605 PolarHBondContact N-O 3.36Å; H598-T605 PolarHBondContact O-N 3.23Å; H598-T605 PolarHBondContact O-OG1 2.9Å; H598-T605 VanDerWaalsContact O-OG1 3.09Å
606	V	95.7	Very high	91.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.5	176.3	-173.9	0	0	0	0	107.7	E283 A284 I595 D596 I597 I604 L614 V617 L618	E283-V606 CarbonylContact C-O 3.56Å; E283-V606 WeakPolarHBondContact CA-O 3.33Å; A284-V606 PolarHBondContact N-O 2.92Å; A284-V606 PolarHBondContact O-N 3.16Å; I595-V606 HydrophobicContact CD1-CG1 4.47Å; I595-V606 HydrophobicContact CG2-CG1 4.01Å; D596-V606 CarbonylContact O-C 3.51Å; D596-V606 WeakPolarHBondContact O-CA 3.23Å; I597-V606 HydrophobicContact CG1-CG1 4.48Å; I597-V606 HydrophobicContact CG2-CG2 4.46Å; I604-V606 HydrophobicContact CG2-CG2 4Å; V606-L614 HydrophobicContact CG1-CD1 4.34Å; V606-L614 HydrophobicContact CG1-CG 4.05Å; V606-V617 HydrophobicContact CB-CG1 4.36Å; V606-V617 HydrophobicContact CG1-CB 4.06Å; V606-V617 HydrophobicContact CG1-CG1 3.88Å; V606-V617 HydrophobicContact CG1-CG2 4.39Å; V606-V617 HydrophobicContact CG2-CB 4.38Å; V606-V617 HydrophobicContact CG2-CG1 3.5Å; V606-L618 HydrophobicContact CG2-CD2 4.46Å
607	S	94.5	Very high	91.6	Very high	21 Å²	21	39.2 Å²	39.2	15%	0.147	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	154.7	173.2	82.7	0	0	0	0	112	I282 I595 D596	I282-S607 CarbonylContact O-C 3.54Å; I282-S607 WeakPolarHBondContact O-CA 3.33Å; I595-S607 CarbonylContact C-O 3.34Å; I595-S607 VanDerWaalsContact CA-O 3.3Å; I595-S607 WeakPolarHBondContact CA-O 3.47Å; D596-S607 PolarHBondContact N-O 3.44Å; D596-S607 PolarHBondContact O-N 3.15Å
608	G	92.7	Very high	91.7	Very high	5 Å²	5	38.1 Å²	38.1	5%	0.052	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.2	-167.2	178	0	0	0	0	0	114.9	I282 D594	I282-G608 PolarHBondContact N-O 2.91Å; I282-G608 PolarHBondContact O-N 2.89Å; D594-G608 WeakPolarHBondContact O-CA 3.46Å
609	Q	88.4	Confident	91.7	Very high	108 Å²	108	35 Å²	35	51%	0.505	18%	0.184	S	C	.	.	S	Bend	trans	-110.7	-39.5	-174.1	-53.4	-169.7	18.8	0	0	113.3	P280 D594	P280-Q609 WeakPolarHBondContact CG-O 3.37Å; P280-Q609 WeakPolarHBondContact O-CA 3.46Å; P280-Q609 WeakPolarHBondContact O-CB 3.42Å; P280-Q609 WeakPolarHBondContact O-CG 3.38Å; D594-Q609 PolarHBondContact O-N 3.28Å
610	N	86.9	Confident	91.9	Very high	53 Å²	53	33.4 Å²	33.4	28%	0.283	18%	0.177	S	C	.	.			trans	-84.2	123	178.2	-168.9	-3.9	0	0	0	112.1	D594 M612 H613 L614	D594-N610 WeakPolarHBondContact OD2-CB 3.2Å; D594-N610 PolarHBondContact OD2-N 3.06Å; D594-N610 VanDerWaalsContact OD2-N 3.08Å; N610-M612 PolarHBondContact O-N 2.96Å; N610-M612 WeakPolarHBondContact OD1-CB 3.32Å; N610-M612 PolarHBondContact OD1-N 3.29Å; N610-H613 HydrophobicContact CB-CB 4.23Å; N610-H613 PolarHBondContact ND2-CD2 2.99Å; N610-H613 PolarHBondContact ND2-CE1 3.47Å; N610-H613 VanDerWaalsContact ND2-CE1 3.27Å; N610-H613 PolarHBondContact ND2-NE2 2.8Å; N610-L614 WeakPolarHBondContact O-CB 3.42Å; N610-L614 PolarHBondContact O-N 3.1Å; N610-L614 VanDerWaalsContact O-N 3.16Å
611	T	87.4	Confident	92.1	Very high	59 Å²	59	30 Å²	30	36%	0.362	16%	0.161	S	C	.	.	H	α-helix	trans	-61.2	-32	173.7	46.4	0	0	0	0	112.9	L270 I282 T615	L270-T611 HydrophobicContact CD2-CG2 4.49Å; I282-T611 HydrophobicContact CD1-CG2 3.36Å; T611-T615 PolarHBondContact O-N 2.84Å; T611-T615 PolarHBondContact O-OG1 3.22Å; T611-T615 VanDerWaalsContact O-OG1 3.09Å
612	M	87.2	Confident	92.2	Very high	119 Å²	119	29 Å²	29	59%	0.586	16%	0.155	S	C	*	.	H	α-helix	trans	-68.3	-52.2	-179.5	-171.9	178.1	-67.2	0	0	111.2	N610 L614 T615 D616	N610-M612 PolarHBondContact O-N 2.96Å; N610-M612 WeakPolarHBondContact OD1-CB 3.32Å; N610-M612 PolarHBondContact OD1-N 3.29Å; M612-L614 VanDerWaalsContact C-N 3.27Å; M612-L614 PolarHBondContact O-N 2.82Å; M612-T615 WeakPolarHBondContact CA-OG1 3.35Å; M612-T615 PolarHBondContact O-N 2.04Å; M612-T615 PolarHBondContact O-OG1 3.43Å; M612-D616 VanDerWaalsContact O-CG 3.24Å; M612-D616 PolarHBondContact O-N 3.32Å
613	H	90.3	Very high	92.2	Very high	53 Å²	53	27.1 Å²	27.1	25%	0.245	15%	0.146	C	C	.	.	H	α-helix	trans	-61.6	-38.4	178.1	-53.9	167	0	0	0	111	C592 D594 I595 N610 T615 D616 V617	C592-H613 HydrophobicContact CB-CB 4.29Å; D594-H613 IonicContact OD1-CE1 2.74Å; D594-H613 PolarHBondContact OD1-CE1 2.79Å; D594-H613 IonicContact OD1-CG 2.68Å; D594-H613 IonicContact OD1-ND1 3.35Å; D594-H613 PolarHBondContact OD1-ND1 2.86Å; D594-H613 IonicContact OD2-ND1 2.66Å; D594-H613 PolarHBondContact OD2-ND1 2.59Å; I595-H613 HydrophobicContact CD1-CB 3.92Å; I595-H613 HydrophobicContact CG1-CB 3.7Å; N610-H613 HydrophobicContact CB-CB 4.23Å; N610-H613 PolarHBondContact ND2-CD2 2.99Å; N610-H613 PolarHBondContact ND2-CE1 3.47Å; N610-H613 VanDerWaalsContact ND2-CE1 3.27Å; N610-H613 PolarHBondContact ND2-NE2 2.8Å; H613-T615 PolarHBondContact O-N 3.29Å; H613-D616 PolarHBondContact O-N 3.41Å; H613-V617 WeakPolarHBondContact O-CG2 3.5Å; H613-V617 PolarHBondContact O-N 3.03Å
614	L	91.9	Very high	92	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65	-35.7	175.4	-169.4	148.5	0	0	0	112.4	W243 I282 A284 I595 V606 N610 M612 L618	W243-L614 HydrophobicContact CH2-CD2 3.61Å; W243-L614 HydrophobicContact CZ2-CD2 4Å; I282-L614 HydrophobicContact CB-CD1 3.89Å; I282-L614 HydrophobicContact CG2-CD1 3.8Å; A284-L614 HydrophobicContact CB-CD1 4.41Å; A284-L614 HydrophobicContact CB-CD2 3.98Å; I595-L614 HydrophobicContact CD1-CB 4.03Å; V606-L614 HydrophobicContact CG1-CD1 4.34Å; V606-L614 HydrophobicContact CG1-CG 4.05Å; N610-L614 WeakPolarHBondContact O-CB 3.42Å; N610-L614 PolarHBondContact O-N 3.1Å; N610-L614 VanDerWaalsContact O-N 3.16Å; M612-L614 VanDerWaalsContact C-N 3.27Å; M612-L614 PolarHBondContact O-N 2.82Å; L614-L618 HydrophobicContact CD2-CD1 3.66Å; L614-L618 HydrophobicContact CD2-CG 4.21Å; L614-L618 WeakPolarHBondContact O-CG 3.45Å; L614-L618 PolarHBondContact O-N 2.96Å
615	T	91.6	Very high	91.5	Very high	20 Å²	20	27.7 Å²	27.7	12%	0.123	15%	0.149	C	C	.	.	H	α-helix	trans	-67.5	-35.5	170.8	41.1	0	0	0	0	113.3	W243 L268 T611 M612 H613 L618 T619	W243-T615 HydrophobicContact CH2-CG2 4.27Å; W243-T615 HydrophobicContact CZ3-CG2 3.7Å; L268-T615 HydrophobicContact CB-CG2 4.07Å; L268-T615 WeakPolarHBondContact O-CG2 3.48Å; T611-T615 PolarHBondContact O-N 2.84Å; T611-T615 PolarHBondContact O-OG1 3.22Å; T611-T615 VanDerWaalsContact O-OG1 3.09Å; M612-T615 WeakPolarHBondContact CA-OG1 3.35Å; M612-T615 PolarHBondContact O-N 2.04Å; M612-T615 PolarHBondContact O-OG1 3.43Å; H613-T615 PolarHBondContact O-N 3.29Å; T615-L618 PolarHBondContact O-N 3.22Å; T615-T619 WeakPolarHBondContact O-CB 3.27Å; T615-T619 VanDerWaalsContact O-CG2 3.31Å; T615-T619 WeakPolarHBondContact O-CG2 3.04Å; T615-T619 PolarHBondContact O-N 2.96Å; T615-T619 PolarHBondContact O-OG1 3.21Å
616	D	90.4	Very high	90.9	Very high	74 Å²	74	27.6 Å²	27.6	40%	0.396	15%	0.149	S	C	.	.	H	α-helix	trans	-66.7	-39.2	178.9	-60.7	-33	0	0	0	111.2	V590 M612 H613 T619 S620	V590-D616 HydrophobicContact CG1-CB 4.14Å; M612-D616 VanDerWaalsContact O-CG 3.24Å; M612-D616 PolarHBondContact O-N 3.32Å; H613-D616 PolarHBondContact O-N 3.41Å; D616-T619 PolarHBondContact O-OG1 3.09Å; D616-T619 VanDerWaalsContact O-OG1 3.12Å; D616-S620 WeakPolarHBondContact O-CB 3.46Å; D616-S620 PolarHBondContact O-N 3.18Å; D616-S620 PolarHBondContact O-OG 2.61Å
617	V	92.8	Very high	90.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.5	-50.9	171.9	-179.4	0	0	0	0	111.5	I584 V590 I595 I597 V606 H613 T619 S620 I621	I584-V617 HydrophobicContact CD1-CG1 3.76Å; V590-V617 HydrophobicContact CB-CG2 4.43Å; V590-V617 HydrophobicContact CG1-CB 4.39Å; V590-V617 HydrophobicContact CG1-CG2 3.81Å; I595-V617 HydrophobicContact CG2-CG2 4.09Å; I597-V617 HydrophobicContact CD1-CG1 3.64Å; I597-V617 HydrophobicContact CD1-CG2 4.08Å; I597-V617 HydrophobicContact CG1-CG1 4.37Å; V606-V617 HydrophobicContact CB-CG1 4.36Å; V606-V617 HydrophobicContact CG1-CB 4.06Å; V606-V617 HydrophobicContact CG1-CG1 3.88Å; V606-V617 HydrophobicContact CG1-CG2 4.39Å; V606-V617 HydrophobicContact CG2-CB 4.38Å; V606-V617 HydrophobicContact CG2-CG1 3.5Å; H613-V617 WeakPolarHBondContact O-CG2 3.5Å; H613-V617 PolarHBondContact O-N 3.03Å; V617-T619 VanDerWaalsContact C-N 3.32Å; V617-T619 PolarHBondContact O-N 3.06Å; V617-S620 WeakPolarHBondContact O-CA 3.42Å; V617-S620 WeakPolarHBondContact O-CB 3.48Å; V617-S620 PolarHBondContact O-N 2.78Å; V617-I621 PolarHBondContact O-N 2.68Å
618	L	93.8	Very high	89.4	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-59.3	-42.1	-179.7	-74.5	178.1	0	0	0	112	W243 F263 L268 A284 V606 L614 T615 S620 I621 L646	W243-L618 HydrophobicContact CH2-CD1 3.35Å; W243-L618 HydrophobicContact CZ2-CD1 3.52Å; W243-L618 HydrophobicContact CZ3-CD1 4.05Å; F263-L618 WeakPolarHBondContact CD2-O 3.17Å; L268-L618 HydrophobicContact CD1-CB 4.15Å; A284-L618 HydrophobicContact CB-CD1 4.23Å; A284-L618 HydrophobicContact CB-CD2 4.34Å; V606-L618 HydrophobicContact CG2-CD2 4.46Å; L614-L618 HydrophobicContact CD2-CD1 3.66Å; L614-L618 HydrophobicContact CD2-CG 4.21Å; L614-L618 WeakPolarHBondContact O-CG 3.45Å; L614-L618 PolarHBondContact O-N 2.96Å; T615-L618 PolarHBondContact O-N 3.22Å; L618-S620 PolarHBondContact O-N 2.84Å; L618-I621 HydrophobicContact CD2-CD1 3.83Å; L618-I621 PolarHBondContact O-N 3.01Å; L618-L646 HydrophobicContact CD2-CD1 4.36Å
619	T	92.5	Very high	88.4	Confident	31 Å²	31	29.3 Å²	29.3	19%	0.19	17%	0.165	C	C	.	.	H	α-helix	trans	-68.9	-17.1	177.3	54.8	0	0	0	0	113.9	F263 L268 T615 D616 V617	F263-T619 HydrophobicContact CB-CG2 4.4Å; L268-T619 HydrophobicContact CB-CG2 4.36Å; L268-T619 HydrophobicContact CD1-CG2 3.84Å; L268-T619 HydrophobicContact CG-CG2 3.92Å; T615-T619 WeakPolarHBondContact O-CB 3.27Å; T615-T619 VanDerWaalsContact O-CG2 3.31Å; T615-T619 WeakPolarHBondContact O-CG2 3.04Å; T615-T619 PolarHBondContact O-N 2.96Å; T615-T619 PolarHBondContact O-OG1 3.21Å; D616-T619 PolarHBondContact O-OG1 3.09Å; D616-T619 VanDerWaalsContact O-OG1 3.12Å; V617-T619 VanDerWaalsContact C-N 3.32Å; V617-T619 PolarHBondContact O-N 3.06Å
620	S	91.9	Very high	88.2	Confident	7 Å²	7	24.3 Å²	24.3	5%	0.049	14%	0.142	C	C	.	.	H	α-helix	trans	-89.9	-6.5	175.9	-60.9	0	0	0	0	114.1	P585 D616 V617 L618 S622	P585-S620 WeakPolarHBondContact CD-O 3.02Å; D616-S620 WeakPolarHBondContact O-CB 3.46Å; D616-S620 PolarHBondContact O-N 3.18Å; D616-S620 PolarHBondContact O-OG 2.61Å; V617-S620 WeakPolarHBondContact O-CA 3.42Å; V617-S620 WeakPolarHBondContact O-CB 3.48Å; V617-S620 PolarHBondContact O-N 2.78Å; L618-S620 PolarHBondContact O-N 2.84Å; S620-S622 PolarHBondContact O-N 2.77Å
621	I	95	Very high	87.9	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.13	C	C	.	.			trans	-67.2	125.6	175.1	-61.8	172.4	0	0	0	110.3	R261 L262 L286 L582 I584 I604 V617 L618	R261-I621 CarbonylContact C-O 3.56Å; R261-I621 WeakPolarHBondContact CA-O 3.08Å; L262-I621 HydrophobicContact CD1-CG2 4.28Å; L262-I621 PolarHBondContact N-O 3.45Å; L286-I621 HydrophobicContact CB-CD1 4.5Å; L286-I621 HydrophobicContact CD2-CD1 3.77Å; L286-I621 HydrophobicContact CD2-CG2 4.01Å; L582-I621 HydrophobicContact CD2-CG2 4.37Å; I584-I621 HydrophobicContact CD1-CG1 4.31Å; I584-I621 HydrophobicContact CG1-CG1 3.98Å; I604-I621 HydrophobicContact CB-CD1 4.23Å; I604-I621 HydrophobicContact CD1-CD1 4.27Å; I604-I621 HydrophobicContact CD1-CG1 4.11Å; I604-I621 HydrophobicContact CD1-CG2 3.87Å; I604-I621 HydrophobicContact CG2-CD1 3.84Å; I604-I621 HydrophobicContact CG2-CG1 4.43Å; V617-I621 PolarHBondContact O-N 2.68Å; L618-I621 HydrophobicContact CD2-CD1 3.83Å; L618-I621 PolarHBondContact O-N 3.01Å
622	S	93.4	Very high	87.3	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	152.6	172.9	-67.7	0	0	0	0	112	P259 E260 R261 L583 P585 S620	P259-S622 PolarHBondContact O-OG 3.09Å; E260-S622 WeakPolarHBondContact O-CA 3.44Å; E260-S622 VanDerWaalsContact O-CB 3.3Å; E260-S622 WeakPolarHBondContact O-CB 3.37Å; E260-S622 PolarHBondContact O-OG 2.9Å; R261-S622 WeakPolarHBondContact CA-OG 3.11Å; R261-S622 WeakPolarHBondContact CG-OG 3.28Å; R261-S622 PolarHBondContact N-OG 2.79Å; L583-S622 PolarHBondContact N-O 2.8Å; L583-S622 PolarHBondContact O-N 3.35Å; P585-S622 WeakPolarHBondContact CG-OG 3.41Å; S620-S622 PolarHBondContact O-N 2.77Å
623	Y	93.4	Very high	86.4	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.5	168.1	174	-117.5	0	0	0	109.9	F252 E260 L288 E580 A581 L582 R625 L667 V669	F252-Y623 AromaticContact CD1-CD1 3.74Å; F252-Y623 HydrophobicContact CD1-CD1 3.74Å; F252-Y623 AromaticContact CD1-CE1 3.94Å; F252-Y623 HydrophobicContact CD1-CE1 3.94Å; F252-Y623 HydrophobicContact CD2-CD1 4.01Å; F252-Y623 AromaticContact CE1-CD1 3.49Å; F252-Y623 HydrophobicContact CE1-CD1 3.49Å; F252-Y623 VanDerWaalsContact CE1-CD1 3.49Å; F252-Y623 AromaticContact CE1-CE1 3.85Å; F252-Y623 HydrophobicContact CE1-CE1 3.85Å; F252-Y623 AromaticContact CE2-CD1 3.78Å; F252-Y623 HydrophobicContact CE2-CD1 3.78Å; F252-Y623 HydrophobicContact CE2-CG 4.42Å; F252-Y623 AromaticContact CG-CD1 3.99Å; F252-Y623 HydrophobicContact CG-CD1 3.99Å; F252-Y623 HydrophobicContact CG-CE1 4.48Å; F252-Y623 AromaticContact CZ-CD1 3.52Å; F252-Y623 HydrophobicContact CZ-CD1 3.52Å; F252-Y623 HydrophobicContact CZ-CE1 4.33Å; F252-Y623 HydrophobicContact CZ-CG 4.33Å; F252-Y623 WeakPolarHBondContact CZ-O 3.48Å; E260-Y623 PolarHBondContact O-N 3.04Å; E260-Y623 VanDerWaalsContact O-N 3.08Å; L288-Y623 HydrophobicContact CD1-CE2 4.3Å; L288-Y623 HydrophobicContact CD2-CD2 4Å; L288-Y623 HydrophobicContact CD2-CE2 3.64Å; E580-Y623 HydrophobicContact CB-CE2 4.41Å; E580-Y623 WeakPolarHBondContact CG-OH 3.4Å; E580-Y623 PolarHBondContact OE2-OH 3.35Å; A581-Y623 WeakPolarHBondContact O-CD2 3.43Å; L582-Y623 HydrophobicContact CD2-CD2 4.37Å; Y623-R625 HydrophobicContact CE1-CB 4.08Å; Y623-L667 HydrophobicContact CD1-CD2 3.95Å; Y623-L667 HydrophobicContact CD2-CD2 4.23Å; Y623-L667 HydrophobicContact CE1-CD2 4.14Å; Y623-L667 HydrophobicContact CE2-CD2 4.39Å; Y623-L667 HydrophobicContact CG-CD2 4.01Å; Y623-V669 HydrophobicContact CD1-CG2 4.47Å; Y623-V669 HydrophobicContact CE1-CG1 4.37Å; Y623-V669 HydrophobicContact CE1-CG2 3.53Å
624	A	90.4	Very high	85.5	Confident	6 Å²	6	20.3 Å²	20.3	5%	0.05	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	124.1	170	0	0	0	0	0	109.3	F318 E580 A581 L583	F318-A624 HydrophobicContact CE1-CB 3.94Å; F318-A624 HydrophobicContact CZ-CB 3.98Å; E580-A624 WeakPolarHBondContact CA-O 3.45Å; A581-A624 PolarHBondContact N-O 2.86Å; A581-A624 PolarHBondContact O-N 3.14Å; L583-A624 HydrophobicContact CD2-CB 3.84Å
625	R	86	Confident	84.4	Confident	6 Å²	6	24.6 Å²	24.6	2%	0.023	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-93.8	160.2	169.4	72.4	179.7	-60.1	160.9	8.5	110.2	F252 L253 G579 Y623 Q627 L670 M672	F252-R625 HydrophobicContact CE1-CB 4.26Å; F252-R625 HydrophobicContact CE1-CG 4.31Å; L253-R625 PolarHBondContact O-NH1 3.45Å; G579-R625 CarbonylContact O-C 3.57Å; Y623-R625 HydrophobicContact CE1-CB 4.08Å; R625-Q627 PolarHBondContact O-N 2.94Å; R625-L670 VanDerWaalsContact CZ-O 3.3Å; R625-L670 PolarHBondContact NH1-O 3.03Å; R625-L670 PolarHBondContact NH2-O 3.23Å; R625-M672 HydrophobicContact CG-CE 4.35Å
626	P	82.2	Confident	83	Confident	16 Å²	16	25.9 Å²	25.9	10%	0.104	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-64.4	135.1	174	-14	31	0	0	0	109.2	E580 Y634	E580-P626 VanDerWaalsContact CG-CD 3.49Å; E580-P626 HydrophobicContact CG-CG 3.64Å; P626-Y634 HydrophobicContact CB-CD2 4.28Å; P626-Y634 VanDerWaalsContact O-CD2 3.29Å; P626-Y634 WeakPolarHBondContact O-CD2 3.49Å; P626-Y634 WeakPolarHBondContact O-CE2 3.11Å
627	Q	81.8	Confident	81.5	Confident	8 Å²	8	28.6 Å²	28.6	4%	0.037	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-95.8	141.7	-172.9	-66.9	-63.7	-16.2	0	0	111.9	S255 F318 R625 V630 S631	S255-Q627 PolarHBondContact O-NE2 2.74Å; S255-Q627 VanDerWaalsContact O-NE2 3.15Å; F318-Q627 HydrophobicContact CD1-CG 4.37Å; F318-Q627 HydrophobicContact CD2-CG 4.44Å; F318-Q627 HydrophobicContact CE1-CG 4.49Å; F318-Q627 HydrophobicContact CG-CG 4.34Å; R625-Q627 PolarHBondContact O-N 2.94Å; Q627-V630 HydrophobicContact CB-CB 4Å; Q627-V630 HydrophobicContact CB-CG2 4.09Å; Q627-V630 PolarHBondContact O-N 3.07Å; Q627-S631 PolarHBondContact N-OG 3.18Å; Q627-S631 PolarHBondContact O-N 3.1Å
628	P	77.4	Confident	80.1	Confident	13 Å²	13	31.8 Å²	31.8	8%	0.084	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	136.2	-178.8	28.9	-34	0	0	0	110.7	V630 Y634 M672	P628-V630 PolarHBondContact O-N 2.9Å; P628-Y634 HydrophobicContact CB-CD1 4.08Å; P628-Y634 HydrophobicContact CB-CE1 3.63Å; P628-Y634 HydrophobicContact CB-CE2 4.34Å; P628-M672 HydrophobicContact CG-CE 4.36Å; P628-M672 HydrophobicContact CG-SD 3.98Å
629	G	72.6	Confident	78.9	Confident	40 Å²	40	34.9 Å²	34.9	41%	0.412	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-20	-176.6	0	0	0	0	0	114.6	R306 S311	R306-G629 WeakPolarHBondContact CD-O 3.41Å; S311-G629 PolarHBondContact OG-O 3.1Å
630	V	82.5	Confident	78.3	Confident	3 Å²	3	35 Å²	35	2%	0.018	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-46.6	179.7	-176.7	0	0	0	0	112.1	R306 R314 Q315 Q627 P628	R306-V630 WeakPolarHBondContact CB-O 3.45Å; R306-V630 WeakPolarHBondContact CG-O 3.19Å; R306-V630 PolarHBondContact N-O 2.9Å; R314-V630 HydrophobicContact CB-CG2 3.6Å; Q315-V630 HydrophobicContact CB-CG1 3.9Å; Q315-V630 HydrophobicContact CG-CG1 4.41Å; Q627-V630 HydrophobicContact CB-CB 4Å; Q627-V630 HydrophobicContact CB-CG2 4.09Å; Q627-V630 PolarHBondContact O-N 3.07Å; P628-V630 PolarHBondContact O-N 2.9Å
631	S	81	Confident	77.9	Confident	6 Å²	6	37 Å²	37	4%	0.042	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-88.4	123.4	-177.4	-60	0	0	0	0	111	S304 Q627 N633 Y634	S304-S631 CarbonylContact O-C 3.58Å; S304-S631 WeakPolarHBondContact O-CA 3.47Å; Q627-S631 PolarHBondContact N-OG 3.18Å; Q627-S631 PolarHBondContact O-N 3.1Å; S631-N633 PolarHBondContact O-N 3.28Å; S631-Y634 WeakPolarHBondContact O-CB 3.29Å; S631-Y634 PolarHBondContact O-N 3.11Å; S631-Y634 VanDerWaalsContact O-N 3.17Å
632	V	74.6	Confident	77.9	Confident	48 Å²	48	38.2 Å²	38.2	29%	0.291	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-37.5	179.7	179.1	0	0	0	0	111.8	S304 C305 R306 Y634	S304-V632 PolarHBondContact O-N 2.94Å; C305-V632 WeakPolarHBondContact O-CG2 3.17Å; R306-V632 HydrophobicContact CG-CG2 3.76Å; V632-Y634 PolarHBondContact O-N 3.03Å
633	N	69.2	Low	77.9	Confident	105 Å²	105	40.1 Å²	40.1	56%	0.561	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	11.7	-176.2	-62.5	-29.2	0	0	0	114.4	S631	S631-N633 PolarHBondContact O-N 3.28Å
634	Y	72.2	Confident	78.1	Confident	41 Å²	41	40.1 Å²	40.1	16%	0.161	24%	0.242	C	C	.	.			trans	-63.9	138.3	-176.8	177.4	-101.9	0	0	0	113.2	P626 P628 S631 V632 P636 M672	P626-Y634 HydrophobicContact CB-CD2 4.28Å; P626-Y634 VanDerWaalsContact O-CD2 3.29Å; P626-Y634 WeakPolarHBondContact O-CD2 3.49Å; P626-Y634 WeakPolarHBondContact O-CE2 3.11Å; P628-Y634 HydrophobicContact CB-CD1 4.08Å; P628-Y634 HydrophobicContact CB-CE1 3.63Å; P628-Y634 HydrophobicContact CB-CE2 4.34Å; S631-Y634 WeakPolarHBondContact O-CB 3.29Å; S631-Y634 PolarHBondContact O-N 3.11Å; S631-Y634 VanDerWaalsContact O-N 3.17Å; V632-Y634 PolarHBondContact O-N 3.03Å; Y634-P636 HydrophobicContact CE1-CB 3.68Å; Y634-P636 HydrophobicContact CE1-CG 4.22Å; Y634-P636 WeakPolarHBondContact OH-CA 3.23Å; Y634-M672 HydrophobicContact CE2-CE 4.09Å; Y634-M672 HydrophobicContact CE2-SD 4.35Å; Y634-M672 PolarHBondContact OH-SD 2.99Å
635	L	68.1	Low	78.3	Confident	91 Å²	91	43.9 Å²	43.9	48%	0.476	26%	0.255	S	S	.	.			trans	-130.4	103.5	-179.5	-76.1	161.4	0	0	0	109.5	N637 V638	L635-N637 PolarHBondContact O-N 3.43Å; L635-V638 HydrophobicContact CB-CB 4.3Å; L635-V638 HydrophobicContact CB-CG2 4Å
636	P	61.4	Low	78.8	Confident	46 Å²	46	43.7 Å²	43.7	30%	0.299	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-39.7	-169.5	20.9	-31.3	0	0	0	114.5	Y634 I677	Y634-P636 HydrophobicContact CE1-CB 3.68Å; Y634-P636 HydrophobicContact CE1-CG 4.22Å; Y634-P636 WeakPolarHBondContact OH-CA 3.23Å; P636-I677 HydrophobicContact CB-CD1 3.85Å
637	N	60.4	Low	79.5	Confident	131 Å²	131	45.7 Å²	45.7	70%	0.701	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	12.4	-165.9	-60.7	-3.7	0	0	0	113.3	L635	L635-N637 PolarHBondContact O-N 3.43Å
638	V	63.1	Low	80.1	Confident	67 Å²	67	45.6 Å²	45.6	41%	0.406	26%	0.264	S	S	.	.			trans	-105.5	110.2	-175.4	-178.3	0	0	0	0	109.7	L635 Q640	L635-V638 HydrophobicContact CB-CB 4.3Å; L635-V638 HydrophobicContact CB-CG2 4Å; V638-Q640 HydrophobicContact CG1-CG 4.24Å
639	A	68.4	Low	80.8	Confident	68 Å²	68	46.2 Å²	46.2	56%	0.562	27%	0.269	S	S	*	.			trans	-64.8	131.5	163.7	0	0	0	0	0	109.1
640	Q	79.3	Confident	81.5	Confident	34 Å²	34	45 Å²	45	16%	0.159	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	109.3	-172.8	-71.3	175.9	-42.6	0	0	110.1	E580 V638 V669	E580-Q640 PolarHBondContact OE1-NE2 3.02Å; E580-Q640 PolarHBondContact OE1-OE1 3.28Å; V638-Q640 HydrophobicContact CG1-CG 4.24Å; Q640-V669 HydrophobicContact CB-CB 4.03Å; Q640-V669 HydrophobicContact CB-CG1 4.49Å; Q640-V669 PolarHBondContact N-O 3.48Å; Q640-V669 VanDerWaalsContact O-CB 3.3Å; Q640-V669 WeakPolarHBondContact O-CB 2.98Å; Q640-V669 PolarHBondContact O-N 2.76Å
641	A	84.3	Confident	81.7	Confident	47 Å²	47	49.8 Å²	49.8	39%	0.388	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	127.5	173.5	0	0	0	0	0	110.5	A291	A291-A641 HydrophobicContact CB-CB 3.65Å; A291-A641 WeakPolarHBondContact CB-O 3.26Å; A291-A641 PolarHBondContact N-O 2.98Å
642	R	93.2	Very high	81.5	Confident	27 Å²	27	50 Å²	50	10%	0.102	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	158.1	177.1	-63	-63.7	174.3	-97	1.7	110.4	L288 R289 L297 E580 L667 V669	L288-R642 HydrophobicContact CD1-CB 3.96Å; L288-R642 HydrophobicContact CD1-CG 4.25Å; R289-R642 WeakPolarHBondContact O-CA 3.18Å; L297-R642 VanDerWaalsContact CD1-NE 3.27Å; E580-R642 IonicContact OE1-CZ 2.97Å; E580-R642 IonicContact OE1-NH2 3.24Å; E580-R642 PolarHBondContact OE1-NH2 2.74Å; E580-R642 IonicContact OE2-CZ 2.83Å; E580-R642 IonicContact OE2-NE 3.22Å; E580-R642 PolarHBondContact OE2-NE 3.48Å; E580-R642 IonicContact OE2-NH2 2.72Å; E580-R642 PolarHBondContact OE2-NH2 2.99Å; R642-L667 HydrophobicContact CB-CB 3.88Å; R642-L667 HydrophobicContact CB-CD2 4.07Å; R642-L667 HydrophobicContact CB-CG 4.16Å; R642-L667 PolarHBondContact N-O 3.14Å; R642-L667 PolarHBondContact O-N 3.2Å; R642-V669 HydrophobicContact CG-CG2 4.21Å
643	L	94.2	Very high	81.4	Confident	40 Å²	40	50.5 Å²	50.5	21%	0.209	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.4	176.3	-176.7	69.2	0	0	0	108.2	R289 R645 E664	R289-L643 HydrophobicContact CB-CB 4.45Å; R289-L643 PolarHBondContact N-O 3.18Å; R289-L643 PolarHBondContact O-N 3.44Å; L643-R645 HydrophobicContact CD2-CG 4.06Å; L643-R645 HydrophobicContact CG-CG 4.04Å; L643-E664 HydrophobicContact CD1-CB 4.23Å
644	L	96.7	Very high	81.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	133.8	168.2	-64.8	164.5	0	0	0	108.4	I250 L262 L286 E287 L288 L582 E664 I665 L667	I250-L644 HydrophobicContact CD1-CD1 4.24Å; L262-L644 HydrophobicContact CD1-CD1 3.82Å; L262-L644 HydrophobicContact CD1-CD2 4.17Å; L262-L644 HydrophobicContact CD2-CD1 4.12Å; L286-L644 HydrophobicContact CD1-CB 4.23Å; L286-L644 HydrophobicContact CD1-CD2 4.48Å; E287-L644 CarbonylContact O-C 3.58Å; E287-L644 VanDerWaalsContact O-CA 3.24Å; E287-L644 WeakPolarHBondContact O-CA 3.21Å; L288-L644 HydrophobicContact CB-CD2 4.15Å; L288-L644 HydrophobicContact CD1-CD2 3.72Å; L288-L644 HydrophobicContact CD1-CG 4.43Å; L582-L644 HydrophobicContact CD2-CD2 4.14Å; L644-E664 WeakPolarHBondContact O-CA 3.34Å; L644-I665 HydrophobicContact CB-CB 4.16Å; L644-I665 PolarHBondContact N-O 2.96Å; L644-I665 PolarHBondContact O-N 3.05Å; L644-L667 HydrophobicContact CD1-CB 4.13Å; L644-L667 HydrophobicContact CD1-CD2 4.25Å; L644-L667 HydrophobicContact CG-CB 4.24Å; L644-L667 HydrophobicContact CG-CD2 4.33Å
645	R	95.9	Very high	80.6	Confident	85 Å²	85	52.9 Å²	52.9	32%	0.321	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	113.9	177	-53.5	-175	83.7	-153.6	6.7	108.8	L286 E287 L643 L647 T662 A663 E664	L286-R645 WeakPolarHBondContact CA-O 3.07Å; E287-R645 PolarHBondContact N-O 2.97Å; E287-R645 PolarHBondContact O-N 3.32Å; L643-R645 HydrophobicContact CD2-CG 4.06Å; L643-R645 HydrophobicContact CG-CG 4.04Å; R645-L647 HydrophobicContact CB-CD1 4.45Å; R645-T662 HydrophobicContact CB-CG2 4.19Å; R645-A663 CarbonylContact C-O 3.59Å; R645-A663 WeakPolarHBondContact CA-O 3.33Å; R645-E664 HydrophobicContact CG-CG 4.4Å; R645-E664 IonicContact CZ-OE1 3.17Å; R645-E664 IonicContact NE-OE1 2.75Å; R645-E664 PolarHBondContact NE-OE1 3.24Å; R645-E664 IonicContact NH2-OE1 2.71Å; R645-E664 PolarHBondContact NH2-OE1 3.46Å
646	L	97	Very high	80.5	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	102.6	175.8	-178.3	57.1	0	0	0	108.8	W243 L246 A284 R285 L286 L618 T662 A663	W243-L646 HydrophobicContact CD2-CD2 4.08Å; W243-L646 HydrophobicContact CG-CD2 3.98Å; W243-L646 HydrophobicContact CZ2-CD2 4.44Å; L246-L646 HydrophobicContact CD1-CD2 4.25Å; L246-L646 HydrophobicContact CD2-CD2 4.29Å; A284-L646 HydrophobicContact CB-CD1 4.24Å; R285-L646 WeakPolarHBondContact O-CA 3.37Å; L286-L646 HydrophobicContact CB-CD1 4.24Å; L286-L646 HydrophobicContact CD1-CB 4.06Å; L286-L646 HydrophobicContact CD1-CD1 4.36Å; L618-L646 HydrophobicContact CD2-CD1 4.36Å; L646-T662 WeakPolarHBondContact O-CA 3.31Å; L646-A663 HydrophobicContact CB-CB 4.37Å; L646-A663 PolarHBondContact N-O 3.27Å; L646-A663 PolarHBondContact O-N 3.3Å
647	L	96.1	Very high	81	Confident	58 Å²	58	55.2 Å²	55.2	30%	0.304	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	142.1	168.7	-54.5	91	0	0	0	108	A284 R285 E287 R645 T662	A284-L647 WeakPolarHBondContact CA-O 3.41Å; R285-L647 HydrophobicContact CB-CB 4.35Å; R285-L647 HydrophobicContact CG-CD1 4.44Å; R285-L647 PolarHBondContact N-O 3.07Å; R285-L647 PolarHBondContact O-N 2.94Å; E287-L647 HydrophobicContact CG-CD1 3.91Å; R645-L647 HydrophobicContact CB-CD1 4.45Å; L647-T662 HydrophobicContact CG-CG2 4.1Å
648	T	94.8	Very high	81.7	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	127.3	176.4	-49.7	0	0	0	0	110.8	W243 L270 I282 E283 A284 I660	W243-T648 HydrophobicContact CZ2-CG2 4.28Å; W243-T648 PolarHBondContact NE1-OG1 3Å; L270-T648 HydrophobicContact CD2-CG2 4.36Å; I282-T648 HydrophobicContact CG2-CG2 4.2Å; E283-T648 CarbonylContact O-C 3.55Å; E283-T648 VanDerWaalsContact O-CA 3.23Å; E283-T648 WeakPolarHBondContact O-CA 2.9Å; E283-T648 WeakPolarHBondContact O-CG2 3.44Å; A284-T648 HydrophobicContact CB-CG2 4.36Å; T648-I660 HydrophobicContact CG2-CD1 4.03Å; T648-I660 WeakPolarHBondContact O-CB 3.46Å; T648-I660 PolarHBondContact O-N 2.96Å
649	S	91.2	Very high	82.5	Confident	27 Å²	27	55 Å²	55	19%	0.189	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	143.5	172.2	99	0	0	0	0	109.4	E283	E283-S649 WeakPolarHBondContact CB-OG 3.48Å; E283-S649 PolarHBondContact N-O 2.61Å; E283-S649 PolarHBondContact O-N 2.71Å; E283-S649 PolarHBondContact OE2-OG 3.38Å
650	Y	88.5	Confident	83.4	Confident	15 Å²	15	52 Å²	52	6%	0.059	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	126.3	179.7	-178.1	-97.3	0	0	0	110.3	T272 T274 C277 P280 I282 F658	T272-Y650 HydrophobicContact CG2-CD1 4.27Å; T272-Y650 HydrophobicContact CG2-CD2 3.72Å; T272-Y650 HydrophobicContact CG2-CE1 4.3Å; T272-Y650 HydrophobicContact CG2-CE2 3.78Å; T272-Y650 HydrophobicContact CG2-CG 3.98Å; T274-Y650 HydrophobicContact CG2-CD1 4.12Å; T274-Y650 HydrophobicContact CG2-CE1 3.81Å; T274-Y650 VanDerWaalsContact OG1-CE1 3.23Å; T274-Y650 WeakPolarHBondContact OG1-CE1 3.41Å; C277-Y650 WeakPolarHBondContact CB-OH 3.49Å; C277-Y650 PolarHBondContact SG-OH 2.87Å; P280-Y650 HydrophobicContact CB-CE2 3.96Å; I282-Y650 HydrophobicContact CB-CD2 4.49Å; I282-Y650 HydrophobicContact CD1-CD2 4.03Å; I282-Y650 HydrophobicContact CD1-CE2 3.9Å; I282-Y650 HydrophobicContact CG1-CD2 3.76Å; I282-Y650 HydrophobicContact CG1-CE2 3.9Å; I282-Y650 HydrophobicContact CG2-CD2 4.39Å; Y650-F658 PolarHBondContact N-O 2.95Å; Y650-F658 PolarHBondContact O-N 2.82Å
651	R	85.1	Confident	83.9	Confident	102 Å²	102	54.3 Å²	54.3	39%	0.385	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135.7	-177.1	-178	179	-178.6	176.6	3.8	110	P280 F281 G654 D655	P280-R651 CarbonylContact C-O 3.53Å; P280-R651 WeakPolarHBondContact CA-O 3.4Å; F281-R651 HydrophobicContact CB-CB 4.38Å; F281-R651 PolarHBondContact N-O 3.39Å; F281-R651 PolarHBondContact O-N 3.49Å; R651-G654 VanDerWaalsContact CZ-O 3.27Å; R651-G654 PolarHBondContact NE-O 2.81Å; R651-G654 PolarHBondContact NH2-O 3.3Å; R651-D655 IonicContact CZ-OD1 2.73Å; R651-D655 IonicContact NH2-OD1 2.88Å; R651-D655 PolarHBondContact NH2-OD1 3.46Å
652	C	78.4	Confident	84.3	Confident	10 Å²	10	54.8 Å²	54.8	7%	0.068	30%	0.303	C	S	.	.			trans	-103.4	164.6	165.8	-70.2	0	0	0	0	109.9	C277 G654	C277-C652 HydrophobicContact CB-CB 4.38Å; C277-C652 WeakPolarHBondContact CB-SG 3.33Å; C277-C652 WeakPolarHBondContact SG-CA 3.4Å; C277-C652 WeakPolarHBondContact SG-CB 3.35Å; C277-C652 CovalentContact SG-SG 2.04Å; C277-C652 PolarHBondContact SG-SG 2.65Å; C652-G654 PolarHBondContact O-N 3.36Å
653	S	72.5	Confident	84.3	Confident	60 Å²	60	54.6 Å²	54.6	42%	0.42	31%	0.308	S	S	.	.	S	Bend	trans	-43.6	101.1	172.9	-66.9	0	0	0	0	113	A278	A278-S653 WeakPolarHBondContact O-CB 3.36Å; A278-S653 PolarHBondContact O-N 3.28Å; A278-S653 VanDerWaalsContact O-N 3.12Å; A278-S653 PolarHBondContact O-OG 3.04Å
654	G	63.6	Low	84.4	Confident	45 Å²	45	57.5 Å²	57.5	46%	0.464	32%	0.32	S	S	.	.	S	Bend	trans	144.9	174.2	-168.9	0	0	0	0	0	111.3	R651 C652	R651-G654 VanDerWaalsContact CZ-O 3.27Å; R651-G654 PolarHBondContact NE-O 2.81Å; R651-G654 PolarHBondContact NH2-O 3.3Å; C652-G654 PolarHBondContact O-N 3.36Å
655	D	60.9	Low	84.3	Confident	151 Å²	151	57.6 Å²	57.6	81%	0.807	32%	0.321	S	S	*	.	S	Bend	trans	-92.7	0.1	-176.9	-73.7	-28.5	0	0	0	115	R651	R651-D655 IonicContact CZ-OD1 2.73Å; R651-D655 IonicContact NH2-OD1 2.88Å; R651-D655 PolarHBondContact NH2-OD1 3.46Å
656	Q	66.1	Low	84.2	Confident	109 Å²	109	60.6 Å²	60.6	51%	0.509	33%	0.332	S	S	.	.			trans	-91.8	107.8	179	-68.4	-176.1	-10.3	0	0	111.1	F658	Q656-F658 HydrophobicContact CB-CE2 4.45Å
657	S	70.9	Confident	84.1	Confident	77 Å²	77	60.5 Å²	60.5	54%	0.538	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	142.3	167.1	55.2	0	0	0	0	111.1
658	F	75.7	Confident	83.8	Confident	73 Å²	73	60.4 Å²	60.4	32%	0.32	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.9	175.1	-64.2	-87.9	0	0	0	108.8	P150 Y650 Q656	P150-F658 HydrophobicContact CB-CE2 3.7Å; P150-F658 HydrophobicContact CB-CZ 3.73Å; P150-F658 HydrophobicContact CG-CE2 4.21Å; P150-F658 HydrophobicContact CG-CZ 4.49Å; Y650-F658 PolarHBondContact N-O 2.95Å; Y650-F658 PolarHBondContact O-N 2.82Å; Q656-F658 HydrophobicContact CB-CE2 4.45Å
659	V	79.8	Confident	83.5	Confident	119 Å²	119	60.3 Å²	60.3	72%	0.721	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	118	170.8	-177.7	0	0	0	0	108
660	I	87.9	Confident	83.2	Confident	5 Å²	5	61.7 Å²	61.7	3%	0.026	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	138.2	173	-59.3	-174.4	0	0	0	107.3	L270 T272 T648 T662	L270-I660 HydrophobicContact CD1-CD1 3.67Å; L270-I660 HydrophobicContact CD2-CD1 4.24Å; L270-I660 HydrophobicContact CG-CD1 4.26Å; T272-I660 HydrophobicContact CG2-CD1 4.43Å; T648-I660 HydrophobicContact CG2-CD1 4.03Å; T648-I660 WeakPolarHBondContact O-CB 3.46Å; T648-I660 PolarHBondContact O-N 2.96Å; I660-T662 PolarHBondContact O-N 2.94Å
661	P	88.9	Confident	82.5	Confident	84 Å²	84	63.7 Å²	63.7	55%	0.545	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	126.6	-180	-26.7	34.7	0	0	0	111.5	P241 A663	P241-P661 WeakPolarHBondContact O-CD 3.48Å; P661-A663 PolarHBondContact O-N 3.08Å
662	T	93.1	Very high	81.7	Confident	56 Å²	56	59.9 Å²	59.9	34%	0.344	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	123.5	178.1	-54.3	0	0	0	0	109.8	R645 L646 L647 I660 E664	R645-T662 HydrophobicContact CB-CG2 4.19Å; L646-T662 WeakPolarHBondContact O-CA 3.31Å; L647-T662 HydrophobicContact CG-CG2 4.1Å; I660-T662 PolarHBondContact O-N 2.94Å; T662-E664 HydrophobicContact CG2-CG 4.37Å
663	A	93.9	Very high	81	Confident	23 Å²	23	62.4 Å²	62.4	19%	0.19	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130.7	172.1	0	0	0	0	0	109.6	L246 R645 L646 P661	L246-A663 HydrophobicContact CD2-CB 3.34Å; R645-A663 CarbonylContact C-O 3.59Å; R645-A663 WeakPolarHBondContact CA-O 3.33Å; L646-A663 HydrophobicContact CB-CB 4.37Å; L646-A663 PolarHBondContact N-O 3.27Å; L646-A663 PolarHBondContact O-N 3.3Å; P661-A663 PolarHBondContact O-N 3.08Å
664	E	94.5	Very high	80	Confident	102 Å²	102	64.2 Å²	64.2	48%	0.477	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.6	179.5	-63.3	-166.6	159.5	0	0	109.4	L643 L644 R645 T662	L643-E664 HydrophobicContact CD1-CB 4.23Å; L644-E664 WeakPolarHBondContact O-CA 3.34Å; R645-E664 HydrophobicContact CG-CG 4.4Å; R645-E664 IonicContact CZ-OE1 3.17Å; R645-E664 IonicContact NE-OE1 2.75Å; R645-E664 PolarHBondContact NE-OE1 3.24Å; R645-E664 IonicContact NH2-OE1 2.71Å; R645-E664 PolarHBondContact NH2-OE1 3.46Å; T662-E664 HydrophobicContact CG2-CG 4.37Å
665	I	95.4	Very high	79.4	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.7	-175.1	-43.8	175.5	0	0	0	108	L246 P247 S248 I250 F263 L644	L246-I665 HydrophobicContact CD1-CD1 3.77Å; L246-I665 HydrophobicContact CD2-CD1 3.85Å; L246-I665 HydrophobicContact CD2-CG1 4.21Å; L246-I665 HydrophobicContact CG-CD1 3.67Å; L246-I665 HydrophobicContact CG-CG1 4.35Å; P247-I665 WeakPolarHBondContact O-CG1 3.36Å; P247-I665 VanDerWaalsContact O-CG2 3.3Å; P247-I665 WeakPolarHBondContact O-CG2 3.3Å; S248-I665 CarbonylContact O-C 3.56Å; S248-I665 VanDerWaalsContact O-CA 3.32Å; S248-I665 WeakPolarHBondContact O-CA 3.28Å; I250-I665 HydrophobicContact CD1-CG2 3.9Å; I250-I665 HydrophobicContact CG1-CG2 3.93Å; F263-I665 HydrophobicContact CE1-CD1 3.58Å; F263-I665 HydrophobicContact CZ-CD1 3.79Å; L644-I665 HydrophobicContact CB-CB 4.16Å; L644-I665 PolarHBondContact N-O 2.96Å; L644-I665 PolarHBondContact O-N 3.05Å
666	R	94.3	Very high	79	Confident	149 Å²	149	61.5 Å²	61.5	56%	0.562	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	128	173	-56.2	-163.8	-173.7	93.7	-1.2	109.7	S248 D249 I250	S248-R666 PolarHBondContact O-N 2.79Å; D249-R666 CarbonylContact C-O 3.46Å; D249-R666 VanDerWaalsContact CA-O 3.29Å; D249-R666 WeakPolarHBondContact CA-O 3.11Å; D249-R666 HydrophobicContact CB-CB 4.36Å; D249-R666 WeakPolarHBondContact OD1-CB 3.21Å; D249-R666 VanDerWaalsContact OD1-CD 3.29Å; D249-R666 WeakPolarHBondContact OD1-CD 3.43Å; D249-R666 WeakPolarHBondContact OD1-CG 3.36Å; D249-R666 IonicContact OD1-CZ 3.65Å; D249-R666 IonicContact OD1-NE 3.28Å; D249-R666 IonicContact OD1-NH1 3.62Å; D249-R666 PolarHBondContact OD1-NH1 3.31Å; D249-R666 IonicContact OD2-NH1 3.17Å; I250-R666 PolarHBondContact N-O 3.15Å
667	L	94	Very high	78.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	104	173.8	173.1	67.2	0	0	0	107.9	I250 F252 L262 L288 Y623 R642 L644 V669	I250-L667 HydrophobicContact CB-CD1 4.05Å; I250-L667 HydrophobicContact CG2-CD1 3.84Å; F252-L667 HydrophobicContact CB-CD1 3.72Å; F252-L667 HydrophobicContact CD2-CD1 4.45Å; F252-L667 HydrophobicContact CG-CD1 4.31Å; L262-L667 HydrophobicContact CD2-CD1 3.81Å; L262-L667 HydrophobicContact CD2-CD2 4.24Å; L288-L667 HydrophobicContact CD1-CD2 3.91Å; Y623-L667 HydrophobicContact CD1-CD2 3.95Å; Y623-L667 HydrophobicContact CD2-CD2 4.23Å; Y623-L667 HydrophobicContact CE1-CD2 4.14Å; Y623-L667 HydrophobicContact CE2-CD2 4.39Å; Y623-L667 HydrophobicContact CG-CD2 4.01Å; R642-L667 HydrophobicContact CB-CB 3.88Å; R642-L667 HydrophobicContact CB-CD2 4.07Å; R642-L667 HydrophobicContact CB-CG 4.16Å; R642-L667 PolarHBondContact N-O 3.14Å; R642-L667 PolarHBondContact O-N 3.2Å; L644-L667 HydrophobicContact CD1-CB 4.13Å; L644-L667 HydrophobicContact CD1-CD2 4.25Å; L644-L667 HydrophobicContact CG-CB 4.24Å; L644-L667 HydrophobicContact CG-CD2 4.33Å; L667-V669 HydrophobicContact CD2-CG2 4.37Å; L667-V669 HydrophobicContact CG-CG2 4.03Å; L667-V669 PolarHBondContact O-N 3.29Å
668	N	90.5	Very high	76.9	Confident	56 Å²	56	58.6 Å²	58.6	30%	0.299	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	91.7	-178.6	-67.2	-30.6	0	0	0	108.9	I250 F252 L670	I250-N668 PolarHBondContact O-N 3.03Å; F252-N668 PolarHBondContact N-O 2.77Å; N668-L670 PolarHBondContact O-N 2.91Å
669	V	88.8	Confident	75.5	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.012	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	109.4	178.6	-177	0	0	0	0	108.7	F252 Y623 Q640 R642 L667	F252-V669 HydrophobicContact CD1-CG1 4.23Å; Y623-V669 HydrophobicContact CD1-CG2 4.47Å; Y623-V669 HydrophobicContact CE1-CG1 4.37Å; Y623-V669 HydrophobicContact CE1-CG2 3.53Å; Q640-V669 HydrophobicContact CB-CB 4.03Å; Q640-V669 HydrophobicContact CB-CG1 4.49Å; Q640-V669 PolarHBondContact N-O 3.48Å; Q640-V669 VanDerWaalsContact O-CB 3.3Å; Q640-V669 WeakPolarHBondContact O-CB 2.98Å; Q640-V669 PolarHBondContact O-N 2.76Å; R642-V669 HydrophobicContact CG-CG2 4.21Å; L667-V669 HydrophobicContact CD2-CG2 4.37Å; L667-V669 HydrophobicContact CG-CG2 4.03Å; L667-V669 PolarHBondContact O-N 3.29Å
670	L	83.9	Confident	74	Confident	56 Å²	56	59.3 Å²	59.3	29%	0.293	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-75.5	151	-176.3	-61.6	178.2	0	0	0	110.9	E251 F252 L253 R625 N668	E251-L670 HydrophobicContact CB-CD1 4.43Å; F252-L670 PolarHBondContact O-N 3.3Å; L253-L670 HydrophobicContact CD1-CD1 4.03Å; L253-L670 HydrophobicContact CG-CD1 4.04Å; R625-L670 VanDerWaalsContact CZ-O 3.3Å; R625-L670 PolarHBondContact NH1-O 3.03Å; R625-L670 PolarHBondContact NH2-O 3.23Å; N668-L670 PolarHBondContact O-N 2.91Å
671	P	74.7	Confident	71.7	Confident	58 Å²	58	59.6 Å²	59.6	38%	0.377	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-66.6	147.3	171.3	30.1	-33.8	0	0	0	109.8
672	M	68.9	Low	69.1	Low	21 Å²	21	63.3 Å²	63.3	10%	0.103	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-68.3	146.4	173.6	-67.2	-178	-170.7	0	0	110.1	R625 P628 Y634 I677	R625-M672 HydrophobicContact CG-CE 4.35Å; P628-M672 HydrophobicContact CG-CE 4.36Å; P628-M672 HydrophobicContact CG-SD 3.98Å; Y634-M672 HydrophobicContact CE2-CE 4.09Å; Y634-M672 HydrophobicContact CE2-SD 4.35Å; Y634-M672 PolarHBondContact OH-SD 2.99Å; M672-I677 HydrophobicContact CB-CG1 4.38Å
673	T	63.1	Low	66.4	Low	63 Å²	63	67.3 Å²	67.3	39%	0.387	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-76.2	151.6	177.3	77	0	0	0	0	110.3	T675 D676 I677	T673-T675 PolarHBondContact O-N 3.35Å; T673-T675 VanDerWaalsContact O-N 3.15Å; T673-T675 PolarHBondContact OG1-OG1 2.95Å; T673-D676 WeakPolarHBondContact CB-OD2 3.32Å; T673-D676 PolarHBondContact N-OD2 3.18Å; T673-D676 PolarHBondContact O-N 2.92Å; T673-D676 PolarHBondContact OG1-N 3.27Å; T673-D676 PolarHBondContact OG1-OD2 2.93Å; T673-I677 PolarHBondContact O-N 3.25Å
674	V	52.2	Low	63.6	Low	98 Å²	98	70.7 Å²	70.7	59%	0.594	35%	0.352	S	S	*	.	H	α-helix	trans	-57.6	-30.4	175.1	-178.4	0	0	0	0	111	D676 I677 L678	V674-D676 VanDerWaalsContact C-N 3.32Å; V674-D676 PolarHBondContact O-N 2.9Å; V674-I677 PolarHBondContact O-N 2.58Å; V674-L678 HydrophobicContact CG1-CD1 3.92Å; V674-L678 HydrophobicContact CG1-CG 4.2Å; V674-L678 WeakPolarHBondContact O-CB 3.4Å; V674-L678 WeakPolarHBondContact O-CG 3.43Å; V674-L678 PolarHBondContact O-N 3.24Å
675	T	50.6	Low	60.5	Low	91 Å²	91	68 Å²	68	56%	0.558	34%	0.341	S	S	*	.	H	α-helix	trans	-64.2	-29.5	173.4	22	0	0	0	0	114.6	T673 R679	T673-T675 PolarHBondContact O-N 3.35Å; T673-T675 VanDerWaalsContact O-N 3.15Å; T673-T675 PolarHBondContact OG1-OG1 2.95Å; T675-R679 WeakPolarHBondContact O-CG 3.39Å; T675-R679 PolarHBondContact O-N 3.41Å
676	D	52	Low	57.4	Low	49 Å²	49	71.9 Å²	71.9	26%	0.262	37%	0.368	S	S	.	.	H	α-helix	trans	-79.4	-42.5	175.6	-52.2	-47.6	0	0	0	110	T673 V674 L678 R679 T680	T673-D676 WeakPolarHBondContact CB-OD2 3.32Å; T673-D676 PolarHBondContact N-OD2 3.18Å; T673-D676 PolarHBondContact O-N 2.92Å; T673-D676 PolarHBondContact OG1-N 3.27Å; T673-D676 PolarHBondContact OG1-OD2 2.93Å; V674-D676 VanDerWaalsContact C-N 3.32Å; V674-D676 PolarHBondContact O-N 2.9Å; D676-L678 PolarHBondContact O-N 2.99Å; D676-R679 WeakPolarHBondContact O-CB 3.38Å; D676-R679 PolarHBondContact O-N 3.04Å; D676-R679 IonicContact OD1-NH1 3.52Å; D676-T680 PolarHBondContact O-N 3.35Å; D676-T680 VanDerWaalsContact O-N 3.15Å; D676-T680 PolarHBondContact O-OG1 3.29Å
677	I	48.8	Very low	54.7	Low	49 Å²	49	67.9 Å²	67.9	25%	0.251	36%	0.358	S	S	.	.	H	α-helix	trans	-59.7	-31.3	171.6	-57.7	170.4	0	0	0	111.7	P636 M672 T673 V674 T680 S681	P636-I677 HydrophobicContact CB-CD1 3.85Å; M672-I677 HydrophobicContact CB-CG1 4.38Å; T673-I677 PolarHBondContact O-N 3.25Å; V674-I677 PolarHBondContact O-N 2.58Å; I677-T680 WeakPolarHBondContact CA-OG1 3.47Å; I677-T680 PolarHBondContact O-OG1 2.93Å; I677-T680 VanDerWaalsContact O-OG1 3.05Å; I677-S681 WeakPolarHBondContact O-CB 3.16Å; I677-S681 PolarHBondContact O-N 2.81Å; I677-S681 PolarHBondContact O-OG 2.85Å
678	L	44.2	Very low	51.6	Low	76 Å²	76	74.8 Å²	74.8	40%	0.398	39%	0.39	S	S	.	.	H	α-helix	trans	-78.5	-26.6	175.4	-74.9	170.7	0	0	0	113.5	V674 D676 S681 L685	V674-L678 HydrophobicContact CG1-CD1 3.92Å; V674-L678 HydrophobicContact CG1-CG 4.2Å; V674-L678 WeakPolarHBondContact O-CB 3.4Å; V674-L678 WeakPolarHBondContact O-CG 3.43Å; V674-L678 PolarHBondContact O-N 3.24Å; D676-L678 PolarHBondContact O-N 2.99Å; L678-S681 WeakPolarHBondContact CA-OG 3.36Å; L678-S681 PolarHBondContact O-OG 2.9Å; L678-L685 HydrophobicContact CD2-CD1 3.65Å
679	R	46.6	Very low	48.6	Very low	181 Å²	181	77.3 Å²	77.3	68%	0.683	40%	0.402	S	S	*	.	H	α-helix	trans	-72.2	-34.7	172.1	-79.2	172.8	169.8	152.4	-5.2	112.1	T675 D676	T675-R679 WeakPolarHBondContact O-CG 3.39Å; T675-R679 PolarHBondContact O-N 3.41Å; D676-R679 WeakPolarHBondContact O-CB 3.38Å; D676-R679 PolarHBondContact O-N 3.04Å; D676-R679 IonicContact OD1-NH1 3.52Å
680	T	47.5	Very low	45.7	Very low	26 Å²	26	81.5 Å²	81.5	16%	0.16	43%	0.432	C	S	.	.	H	α-helix	trans	-79.5	-20.9	179.2	42.1	0	0	0	0	114.8	E256 R314 D676 I677 H682	E256-T680 WeakPolarHBondContact OE1-CG2 3.38Å; E256-T680 WeakPolarHBondContact OE2-CG2 3.44Å; R314-T680 PolarHBondContact NH2-O 2.85Å; D676-T680 PolarHBondContact O-N 3.35Å; D676-T680 VanDerWaalsContact O-N 3.15Å; D676-T680 PolarHBondContact O-OG1 3.29Å; I677-T680 WeakPolarHBondContact CA-OG1 3.47Å; I677-T680 PolarHBondContact O-OG1 2.93Å; I677-T680 VanDerWaalsContact O-OG1 3.05Å; T680-H682 VanDerWaalsContact C-N 3.31Å; T680-H682 PolarHBondContact O-N 3.17Å
681	S	39.6	Very low	43.2	Very low	11 Å²	11	86.3 Å²	86.3	8%	0.077	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	21.5	-177.7	45	0	0	0	0	114	I677 L678 H683 D684 L685	I677-S681 WeakPolarHBondContact O-CB 3.16Å; I677-S681 PolarHBondContact O-N 2.81Å; I677-S681 PolarHBondContact O-OG 2.85Å; L678-S681 WeakPolarHBondContact CA-OG 3.36Å; L678-S681 PolarHBondContact O-OG 2.9Å; S681-H683 CarbonylContact O-C 3.48Å; S681-H683 PolarHBondContact O-N 3.49Å; S681-D684 CarbonylContact O-C 3.51Å; S681-D684 PolarHBondContact O-N 2.91Å; S681-L685 WeakPolarHBondContact O-CB 3.49Å; S681-L685 PolarHBondContact O-N 3.01Å
682	H	35	Very low	40.8	Very low	161 Å²	161	88.1 Å²	88.1	75%	0.745	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-7.4	173.1	-95.9	-65.1	0	0	0	115.2	T680	T680-H682 VanDerWaalsContact C-N 3.31Å; T680-H682 PolarHBondContact O-N 3.17Å
683	H	35.7	Very low	38.8	Very low	141 Å²	141	92.9 Å²	92.9	65%	0.653	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-41.5	161.6	-75.1	-94.3	0	0	0	113.1	S681 L685 S686	S681-H683 CarbonylContact O-C 3.48Å; S681-H683 PolarHBondContact O-N 3.49Å; H683-L685 VanDerWaalsContact C-N 3.32Å; H683-L685 PolarHBondContact O-N 3.23Å; H683-S686 PolarHBondContact O-OG 3.15Å
684	D	34.7	Very low	37.1	Very low	93 Å²	93	98.9 Å²	98.9	50%	0.497	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-14	179.5	-61.3	-29.2	0	0	0	114.9	S681 S686 D687	S681-D684 CarbonylContact O-C 3.51Å; S681-D684 PolarHBondContact O-N 2.91Å; D684-S686 PolarHBondContact O-N 3.33Å; D684-D687 VanDerWaalsContact O-CB 3.27Å; D684-D687 WeakPolarHBondContact O-CB 3.39Å; D684-D687 PolarHBondContact O-N 3.26Å
685	L	29.7	Very low	36	Very low	46 Å²	46	100.7 Å²	100.7	24%	0.241	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-7.6	-178.6	-137.5	73.1	0	0	0	113.4	L678 S681 H683 D687 Q688 I689	L678-L685 HydrophobicContact CD2-CD1 3.65Å; S681-L685 WeakPolarHBondContact O-CB 3.49Å; S681-L685 PolarHBondContact O-N 3.01Å; H683-L685 VanDerWaalsContact C-N 3.32Å; H683-L685 PolarHBondContact O-N 3.23Å; L685-D687 PolarHBondContact O-N 3.3Å; L685-Q688 HydrophobicContact CD1-CB 4.49Å; L685-Q688 PolarHBondContact O-N 3.35Å; L685-I689 HydrophobicContact CD2-CD1 3.68Å; L685-I689 HydrophobicContact CD2-CG1 4.18Å; L685-I689 HydrophobicContact CG-CD1 4.2Å; L685-I689 HydrophobicContact CG-CG1 4.25Å; L685-I689 PolarHBondContact O-N 2.75Å
686	S	30.9	Very low	34.8	Very low	82 Å²	82	102.4 Å²	102.4	57%	0.573	54%	0.535	S	S	*	.	H	α-helix	trans	-51.7	-34.5	160.9	-50.9	0	0	0	0	111.3	H683 D684 Q688 S690	H683-S686 PolarHBondContact O-OG 3.15Å; D684-S686 PolarHBondContact O-N 3.33Å; S686-Q688 VanDerWaalsContact C-N 3.34Å; S686-Q688 PolarHBondContact O-N 3.49Å; S686-S690 WeakPolarHBondContact O-CB 3.38Å; S686-S690 PolarHBondContact O-OG 2.85Å
687	D	37	Very low	33.5	Very low	65 Å²	65	104.7 Å²	104.7	35%	0.348	55%	0.554	S	S	.	*	H	α-helix	trans	-79.5	-12.2	-177.1	-62.6	12.6	0	0	0	113.4	D684 L685 L829	D684-D687 VanDerWaalsContact O-CB 3.27Å; D684-D687 WeakPolarHBondContact O-CB 3.39Å; D684-D687 PolarHBondContact O-N 3.26Å; L685-D687 PolarHBondContact O-N 3.3Å; D687-L829 VanDerWaalsContact OD1-CD2 3.25Å; D687-L829 WeakPolarHBondContact OD1-CD2 3.37Å
688	Q	30.1	Very low	32.3	Very low	145 Å²	145	109.8 Å²	109.8	68%	0.678	58%	0.581	S	S	*	*	H	α-helix	trans	-116.3	-29.4	177.9	-65.3	-164.4	15.2	0	0	114.1	L685 S686	L685-Q688 HydrophobicContact CD1-CB 4.49Å; L685-Q688 PolarHBondContact O-N 3.35Å; S686-Q688 VanDerWaalsContact C-N 3.34Å; S686-Q688 PolarHBondContact O-N 3.49Å
689	I	26.4	Very low	31.3	Very low	109 Å²	109	117.2 Å²	117.2	56%	0.559	60%	0.604	S	S	*	*	H	α-helix	trans	-82	-22.1	179.5	-67.8	-178.3	0	0	0	112.4	L685 Q691 S692	L685-I689 HydrophobicContact CD2-CD1 3.68Å; L685-I689 HydrophobicContact CD2-CG1 4.18Å; L685-I689 HydrophobicContact CG-CD1 4.2Å; L685-I689 HydrophobicContact CG-CG1 4.25Å; L685-I689 PolarHBondContact O-N 2.75Å; I689-Q691 PolarHBondContact O-N 2.9Å; I689-S692 PolarHBondContact O-N 2.71Å
690	S	28.8	Very low	30.3	Very low	90 Å²	90	113.4 Å²	113.4	63%	0.629	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-8.9	177.4	49.3	0	0	0	0	114.9	S686	S686-S690 WeakPolarHBondContact O-CB 3.38Å; S686-S690 PolarHBondContact O-OG 2.85Å
691	Q	30.9	Very low	29.3	Very low	158 Å²	158	115.5 Å²	115.5	74%	0.738	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	3.6	169.4	-66.3	-171.4	-9.4	0	0	114.3	I689 T693	I689-Q691 PolarHBondContact O-N 2.9Å; Q691-T693 PolarHBondContact O-N 2.87Å
692	S	25.3	Very low	28.9	Very low	95 Å²	95	120.6 Å²	120.6	66%	0.664	66%	0.658	S	S	*	*			trans	-103	50.9	-175.3	-153.1	0	0	0	0	113.8	I689	I689-S692 PolarHBondContact O-N 2.71Å
693	T	26.1	Very low	28.5	Very low	122 Å²	122	119 Å²	119	75%	0.748	66%	0.655	S	S	*	*			trans	-132	56.1	171.4	57.6	0	0	0	0	114	Q691	Q691-T693 PolarHBondContact O-N 2.87Å
694	K	27.7	Very low	28	Very low	188 Å²	188	118.6 Å²	118.6	82%	0.817	66%	0.655	S	S	*	*	S	Bend	trans	-173.5	126.2	139.6	-101.7	151.5	-171.4	176.6	0	112.5
695	D	28.5	Very low	27.5	Very low	137 Å²	137	121.7 Å²	121.7	73%	0.733	67%	0.666	S	S	*	*			trans	54.2	109.5	150.2	-53.8	-30.1	0	0	0	120.7
696	T	24.7	Very low	27.5	Very low	126 Å²	126	125.1 Å²	125.1	77%	0.773	69%	0.688	S	S	*	*			trans	73.7	110.6	140.3	59.5	0	0	0	0	120.5
697	S	25.1	Very low	27.3	Very low	97 Å²	97	128.6 Å²	128.6	68%	0.678	70%	0.7	S	S	*	*			trans	45.8	97.6	141	59.6	0	0	0	0	119.4	W699	S697-W699 PolarHBondContact O-N 3.46Å; S697-W699 VanDerWaalsContact O-N 3.15Å
698	L	23.8	Very low	26.8	Very low	156 Å²	156	131.5 Å²	131.5	82%	0.817	72%	0.716	S	S	*	*				16.1	88.4	127.1	-170.5	74.6	0	0	0	116.4	V700	L698-V700 HydrophobicContact CD1-CG2 4.49Å
699	W	23.3	Very low	26.7	Very low	233 Å²	233	134.7 Å²	134.7	88%	0.883	72%	0.721	S	S	*	*			trans	-135	102.6	143.1	-84.9	90	0	0	0	107.2	S697 P701	S697-W699 PolarHBondContact O-N 3.46Å; S697-W699 VanDerWaalsContact O-N 3.15Å; W699-P701 VanDerWaalsContact O-CD 3.28Å; W699-P701 WeakPolarHBondContact O-CD 3.44Å
700	V	26.5	Very low	26.6	Very low	101 Å²	101	133 Å²	133	61%	0.612	72%	0.717	S	S	*	*			trans	-78.7	114.3	166.9	-179.6	0	0	0	0	106.6	L698	L698-V700 HydrophobicContact CD1-CG2 4.49Å
701	P	25	Very low	26.5	Very low	70 Å²	70	130.4 Å²	130.4	46%	0.455	71%	0.705	S	S	.	*			trans	-65.6	137.9	175.5	-17.3	32.7	0	0	0	109	W699 N703 M704	W699-P701 VanDerWaalsContact O-CD 3.28Å; W699-P701 WeakPolarHBondContact O-CD 3.44Å; P701-N703 VanDerWaalsContact CB-OD1 3.29Å; P701-N703 WeakPolarHBondContact CB-OD1 3.44Å; P701-N703 PolarHBondContact O-N 3.38Å; P701-M704 PolarHBondContact O-N 3.44Å
702	A	31.7	Very low	26.7	Very low	118 Å²	118	129.3 Å²	129.3	98%	0.975	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	3.3	-176.3	0	0	0	0	0	115
703	N	27.4	Very low	27	Very low	126 Å²	126	128.9 Å²	128.9	67%	0.674	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	9.8	-177.3	56.4	-32.6	0	0	0	112.8	P701 H705	P701-N703 VanDerWaalsContact CB-OD1 3.29Å; P701-N703 WeakPolarHBondContact CB-OD1 3.44Å; P701-N703 PolarHBondContact O-N 3.38Å; N703-H705 VanDerWaalsContact C-N 3.28Å; N703-H705 PolarHBondContact O-N 3.17Å
704	M	24.7	Very low	27	Very low	133 Å²	133	129.3 Å²	129.3	66%	0.655	69%	0.694	S	S	*	*			trans	-72.7	94.2	159	-169.3	150.6	79.3	0	0	107.5	P701 V706	P701-M704 PolarHBondContact O-N 3.44Å; M704-V706 PolarHBondContact O-N 3.13Å
705	H	24.9	Very low	27.3	Very low	158 Å²	158	122.5 Å²	122.5	73%	0.731	67%	0.673	S	S	*	*			trans	-51.3	108.1	161.1	-72.7	-91.7	0	0	0	107	N703 L707	N703-H705 VanDerWaalsContact C-N 3.28Å; N703-H705 PolarHBondContact O-N 3.17Å; H705-L707 PolarHBondContact O-N 2.8Å
706	V	29.8	Very low	27.5	Very low	118 Å²	118	119.4 Å²	119.4	72%	0.715	66%	0.655	S	S	*	*			trans	-43.6	127.4	146.8	175.4	0	0	0	0	104.6	M704 D708	M704-V706 PolarHBondContact O-N 3.13Å; V706-D708 PolarHBondContact O-N 2.72Å
707	L	26.7	Very low	27.7	Very low	156 Å²	156	118.1 Å²	118.1	82%	0.817	65%	0.648	S	S	*	*			trans	-60.1	95.5	173.5	-87.2	159.9	0	0	0	106.4	H705 R709	H705-L707 PolarHBondContact O-N 2.8Å; L707-R709 PolarHBondContact O-N 3.44Å
708	D	26.1	Very low	27.9	Very low	126 Å²	126	116 Å²	116	67%	0.674	64%	0.641	S	S	*	*			trans	-56.4	98.3	170.8	-83.5	-41.7	0	0	0	105	V706 P710	V706-D708 PolarHBondContact O-N 2.72Å; D708-P710 VanDerWaalsContact C-N 3.34Å; D708-P710 VanDerWaalsContact O-CD 3.25Å; D708-P710 WeakPolarHBondContact O-CD 3.41Å
709	R	27.8	Very low	28.4	Very low	212 Å²	212	112.1 Å²	112.1	80%	0.8	62%	0.624	S	S	*	*			trans	-47.4	110.1	156.2	171.7	-170.1	-96.5	-156.7	-4.2	103.1	L707 G711	L707-R709 PolarHBondContact O-N 3.44Å; R709-G711 PolarHBondContact O-N 3.28Å
710	P	24.7	Very low	28.6	Very low	72 Å²	72	110.6 Å²	110.6	47%	0.468	62%	0.618	S	S	.	*			trans	-51.4	114.7	-158.3	9.4	-25.4	0	0	0	108.2	D708 Q714	D708-P710 VanDerWaalsContact C-N 3.34Å; D708-P710 VanDerWaalsContact O-CD 3.25Å; D708-P710 WeakPolarHBondContact O-CD 3.41Å; P710-Q714 HydrophobicContact CB-CB 3.76Å
711	G	26.5	Very low	28.8	Very low	37 Å²	37	109 Å²	109	38%	0.381	62%	0.615	S	S	.	*			trans	-51.6	152	-170.2	0	0	0	0	0	109.2	R709 S713 Q714 A715	R709-G711 PolarHBondContact O-N 3.28Å; G711-S713 CarbonylContact O-C 3.55Å; G711-S713 PolarHBondContact O-N 3.2Å; G711-Q714 PolarHBondContact O-N 3.45Å; G711-A715 PolarHBondContact O-N 3.35Å
712	L	34.9	Very low	28.9	Very low	135 Å²	135	113.4 Å²	113.4	71%	0.707	64%	0.635	S	S	*	*	H	α-helix	trans	-53.3	-24.3	-166.9	-161.7	72.3	0	0	0	113	A715 I716	L712-A715 HydrophobicContact CD1-CB 4.35Å; L712-A715 PolarHBondContact O-N 3.18Å; L712-I716 HydrophobicContact CD2-CD1 4.15Å; L712-I716 HydrophobicContact CG-CD1 3.88Å; L712-I716 HydrophobicContact CG-CG1 4.3Å; L712-I716 WeakPolarHBondContact O-CB 3.43Å; L712-I716 VanDerWaalsContact O-CD1 3.31Å; L712-I716 WeakPolarHBondContact O-CD1 3.39Å; L712-I716 WeakPolarHBondContact O-CG1 3.44Å; L712-I716 PolarHBondContact O-N 2.98Å
713	S	30.8	Very low	28.9	Very low	86 Å²	86	115 Å²	115	60%	0.601	62%	0.617	S	S	*	*	H	α-helix	trans	-55.4	-44.1	165.8	49.2	0	0	0	0	115.7	G711 I716 V717	G711-S713 CarbonylContact O-C 3.55Å; G711-S713 PolarHBondContact O-N 3.2Å; S713-I716 CarbonylContact O-C 3.52Å; S713-I716 PolarHBondContact O-N 3.1Å; S713-V717 VanDerWaalsContact O-CG2 3.32Å; S713-V717 WeakPolarHBondContact O-CG2 2.94Å; S713-V717 PolarHBondContact O-N 2.83Å
714	Q	27.2	Very low	29	Very low	130 Å²	130	114.2 Å²	114.2	61%	0.607	61%	0.612	S	S	*	*	H	α-helix	trans	-76	-35	174.6	-78.2	-173.7	-5.2	0	0	112.8	P710 G711 I716 V717 G718	P710-Q714 HydrophobicContact CB-CB 3.76Å; G711-Q714 PolarHBondContact O-N 3.45Å; Q714-I716 VanDerWaalsContact C-N 3.27Å; Q714-I716 PolarHBondContact O-N 3Å; Q714-V717 PolarHBondContact O-N 2.85Å; Q714-G718 PolarHBondContact O-N 3.21Å
715	A	32.2	Very low	29.5	Very low	45 Å²	45	117.5 Å²	117.5	37%	0.372	62%	0.623	S	S	.	*	H	α-helix	trans	-61.2	-39	167.5	0	0	0	0	0	111.1	G711 L712 G718 T719	G711-A715 PolarHBondContact O-N 3.35Å; L712-A715 HydrophobicContact CD1-CB 4.35Å; L712-A715 PolarHBondContact O-N 3.18Å; A715-G718 CarbonylContact O-C 3.58Å; A715-G718 WeakPolarHBondContact O-CA 3.24Å; A715-G718 PolarHBondContact O-N 3.09Å; A715-G718 VanDerWaalsContact O-N 3.16Å; A715-T719 PolarHBondContact O-N 3.26Å
716	I	33.4	Very low	29.9	Very low	72 Å²	72	116.9 Å²	116.9	37%	0.369	63%	0.625	S	S	.	*	H	α-helix	trans	-70.3	-30.2	174.4	-73.3	163.7	0	0	0	112.1	L712 S713 Q714 G718 T719 R720	L712-I716 HydrophobicContact CD2-CD1 4.15Å; L712-I716 HydrophobicContact CG-CD1 3.88Å; L712-I716 HydrophobicContact CG-CG1 4.3Å; L712-I716 WeakPolarHBondContact O-CB 3.43Å; L712-I716 VanDerWaalsContact O-CD1 3.31Å; L712-I716 WeakPolarHBondContact O-CD1 3.39Å; L712-I716 WeakPolarHBondContact O-CG1 3.44Å; L712-I716 PolarHBondContact O-N 2.98Å; S713-I716 CarbonylContact O-C 3.52Å; S713-I716 PolarHBondContact O-N 3.1Å; Q714-I716 VanDerWaalsContact C-N 3.27Å; Q714-I716 PolarHBondContact O-N 3Å; I716-G718 VanDerWaalsContact C-N 3.34Å; I716-T719 WeakPolarHBondContact CA-OG1 3.37Å; I716-T719 CarbonylContact O-C 3.58Å; I716-T719 PolarHBondContact O-N 3.22Å; I716-T719 PolarHBondContact O-OG1 3.15Å; I716-R720 WeakPolarHBondContact O-CB 3.46Å; I716-R720 WeakPolarHBondContact O-CG 3.42Å; I716-R720 PolarHBondContact O-N 3.16Å
717	V	29.8	Very low	29.9	Very low	100 Å²	100	114.6 Å²	114.6	61%	0.606	61%	0.614	S	S	*	*	H	α-helix	trans	-68.2	-36.9	168.7	167.8	0	0	0	0	110.4	S713 Q714 R720 A721	S713-V717 VanDerWaalsContact O-CG2 3.32Å; S713-V717 WeakPolarHBondContact O-CG2 2.94Å; S713-V717 PolarHBondContact O-N 2.83Å; Q714-V717 PolarHBondContact O-N 2.85Å; V717-R720 PolarHBondContact O-N 3.38Å; V717-R720 VanDerWaalsContact O-N 3.13Å; V717-A721 PolarHBondContact O-N 3.24Å
718	G	29.3	Very low	30	Very low	52 Å²	52	117.9 Å²	117.9	54%	0.536	62%	0.616	S	S	.	*	H	α-helix	trans	-58	-45.6	166.9	0	0	0	0	0	112.7	Q714 A715 I716 R720 A721	Q714-G718 PolarHBondContact O-N 3.21Å; A715-G718 CarbonylContact O-C 3.58Å; A715-G718 WeakPolarHBondContact O-CA 3.24Å; A715-G718 PolarHBondContact O-N 3.09Å; A715-G718 VanDerWaalsContact O-N 3.16Å; I716-G718 VanDerWaalsContact C-N 3.34Å; G718-R720 PolarHBondContact O-N 3.38Å; G718-A721 VanDerWaalsContact O-CB 3.29Å; G718-A721 WeakPolarHBondContact O-CB 3.49Å; G718-A721 PolarHBondContact O-N 3.49Å
719	T	34	Very low	30.2	Very low	75 Å²	75	117.4 Å²	117.4	46%	0.46	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.7	6.8	174.6	68.8	0	0	0	0	114.3	A715 I716 Y723	A715-T719 PolarHBondContact O-N 3.26Å; I716-T719 WeakPolarHBondContact CA-OG1 3.37Å; I716-T719 CarbonylContact O-C 3.58Å; I716-T719 PolarHBondContact O-N 3.22Å; I716-T719 PolarHBondContact O-OG1 3.15Å; T719-Y723 WeakPolarHBondContact O-CD2 3.46Å
720	R	27	Very low	30.6	Very low	201 Å²	201	115.3 Å²	115.3	76%	0.758	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	5.9	165.1	-80	-179	-179.8	-171.6	1.8	112.3	I716 V717 G718 N722	I716-R720 WeakPolarHBondContact O-CB 3.46Å; I716-R720 WeakPolarHBondContact O-CG 3.42Å; I716-R720 PolarHBondContact O-N 3.16Å; V717-R720 PolarHBondContact O-N 3.38Å; V717-R720 VanDerWaalsContact O-N 3.13Å; G718-R720 PolarHBondContact O-N 3.38Å; R720-N722 PolarHBondContact O-N 3.37Å
721	A	30.8	Very low	31.5	Very low	66 Å²	66	118.4 Å²	118.4	55%	0.545	63%	0.632	S	S	.	*	S	Bend	trans	-49.8	127.1	145.9	0	0	0	0	0	107.6	V717 G718 Y723	V717-A721 PolarHBondContact O-N 3.24Å; G718-A721 VanDerWaalsContact O-CB 3.29Å; G718-A721 WeakPolarHBondContact O-CB 3.49Å; G718-A721 PolarHBondContact O-N 3.49Å; A721-Y723 PolarHBondContact O-N 3.35Å
722	N	27.5	Very low	32.7	Very low	164 Å²	164	118.3 Å²	118.3	88%	0.877	62%	0.624	S	S	*	*			trans	-57.8	97.4	-163.4	-153.7	19.1	0	0	0	110.8	R720 D724	R720-N722 PolarHBondContact O-N 3.37Å; N722-D724 VanDerWaalsContact C-N 3.28Å; N722-D724 PolarHBondContact O-N 3.12Å
723	Y	30.7	Very low	34	Very low	152 Å²	152	114.5 Å²	114.5	60%	0.596	61%	0.607	S	S	*	*			trans	-69.6	89.3	175.9	-94.3	-86.4	0	0	0	108.7	T719 A721 K725	T719-Y723 WeakPolarHBondContact O-CD2 3.46Å; A721-Y723 PolarHBondContact O-N 3.35Å; Y723-K725 PolarHBondContact O-N 3.33Å
724	D	29.7	Very low	35.8	Very low	108 Å²	108	112.4 Å²	112.4	58%	0.578	59%	0.593	S	S	*	*			trans	-58.3	118.2	163.2	-167.2	-5.2	0	0	0	107.6	N722 N726 S727	N722-D724 VanDerWaalsContact C-N 3.28Å; N722-D724 PolarHBondContact O-N 3.12Å; D724-N726 PolarHBondContact O-N 3.15Å; D724-S727 PolarHBondContact O-N 3.04Å; D724-S727 VanDerWaalsContact O-N 3.16Å; D724-S727 PolarHBondContact O-OG 3.24Å
725	K	35.6	Very low	38.3	Very low	203 Å²	203	106.5 Å²	106.5	88%	0.883	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-0.1	-166.6	-76.2	-173.6	173.8	-176.4	0	114.4	Y723	Y723-K725 PolarHBondContact O-N 3.33Å
726	N	32.9	Very low	40.7	Very low	145 Å²	145	106 Å²	106	78%	0.775	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-6.2	-178.6	-62.3	-30.7	0	0	0	113.8	D724	D724-N726 PolarHBondContact O-N 3.15Å
727	S	30.5	Very low	43.2	Very low	70 Å²	70	103.3 Å²	103.3	49%	0.49	54%	0.543	S	S	.	.			trans	-87.5	115.5	170.1	56.9	0	0	0	0	110.9	D724	D724-S727 PolarHBondContact O-N 3.04Å; D724-S727 VanDerWaalsContact O-N 3.16Å; D724-S727 PolarHBondContact O-OG 3.24Å
728	R	27.8	Very low	45.9	Very low	225 Å²	225	100.7 Å²	100.7	85%	0.849	53%	0.525	S	S	*	.			trans	-56	144.6	162.9	-74.5	-179.2	173.4	-176.2	-3.2	108.5	L730	R728-L730 PolarHBondContact O-N 3.19Å
729	P	31	Very low	48.6	Very low	116 Å²	116	99.5 Å²	99.5	75%	0.753	51%	0.512	S	S	*	.			trans	-57.3	115.1	170.6	25.1	-32.8	0	0	0	108.7	Q731	P729-Q731 PolarHBondContact O-N 3.24Å; P729-Q731 VanDerWaalsContact O-N 3.1Å
730	L	36.6	Very low	51.1	Low	168 Å²	168	98.3 Å²	98.3	88%	0.88	51%	0.507	S	S	*	.			trans	-66.5	108.4	-179.7	-73.5	157.4	0	0	0	108.4	R728	R728-L730 PolarHBondContact O-N 3.19Å
731	Q	42.8	Very low	53.7	Low	137 Å²	137	93 Å²	93	64%	0.64	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-57.4	141.1	165.2	-82.8	178	-46.8	0	0	108.9	H474 P729	H474-Q731 PolarHBondContact CE1-NE2 3.46Å; H474-Q731 VanDerWaalsContact CE1-NE2 3.26Å; H474-Q731 PolarHBondContact NE2-NE2 2.97Å; P729-Q731 PolarHBondContact O-N 3.24Å; P729-Q731 VanDerWaalsContact O-N 3.1Å
732	P	53.1	Low	56.2	Low	35 Å²	35	94 Å²	94	23%	0.227	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-61.2	141.7	169.5	27.8	-32.6	0	0	0	109.1	L885 D886	P732-L885 HydrophobicContact CB-CD1 4.34Å; P732-L885 HydrophobicContact CG-CD1 4.47Å; P732-D886 HydrophobicContact CG-CB 4.08Å
733	P	61.4	Low	59	Low	54 Å²	54	87 Å²	87	35%	0.351	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-69.7	145.4	177.9	31	-35	0	0	0	110.2	L764 V782	P733-L764 HydrophobicContact CB-CD2 3.93Å; P733-L764 HydrophobicContact CG-CD2 4.06Å; P733-V782 HydrophobicContact CG-CG2 3.78Å
734	S	68.2	Low	61.6	Low	43 Å²	43	84 Å²	84	30%	0.301	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-59.5	138.9	172.1	42.1	0	0	0	0	110.8	L764 P765	S734-L764 WeakPolarHBondContact O-CD2 3.47Å; S734-P765 WeakPolarHBondContact O-CD 3.35Å
735	L	80.8	Confident	64.3	Low	6 Å²	6	80.3 Å²	80.3	3%	0.031	43%	0.431	C	S	.	.			trans	-110.9	141.4	-178.1	-74.2	177.4	0	0	0	111.3	F762 G763 L764 A779 V782 L784 A843 L885 T892 P893	L735-F762 HydrophobicContact CD1-CD1 4.32Å; L735-F762 HydrophobicContact CD2-CB 4.35Å; L735-G763 WeakPolarHBondContact CA-O 3.44Å; L735-L764 HydrophobicContact CD2-CD2 4.22Å; L735-A779 HydrophobicContact CD2-CB 3.76Å; L735-V782 HydrophobicContact CD1-CB 3.9Å; L735-V782 HydrophobicContact CD1-CG1 3.69Å; L735-V782 HydrophobicContact CD2-CB 4.1Å; L735-V782 HydrophobicContact CD2-CG1 4.45Å; L735-V782 HydrophobicContact CD2-CG2 3.93Å; L735-V782 HydrophobicContact CG-CB 4.25Å; L735-V782 HydrophobicContact CG-CG1 4.07Å; L735-V782 HydrophobicContact CG-CG2 4.4Å; L735-L784 HydrophobicContact CD1-CD2 3.51Å; L735-L784 HydrophobicContact CD1-CG 4.35Å; L735-A843 HydrophobicContact CD1-CB 4.42Å; L735-L885 HydrophobicContact CD1-CD1 4.44Å; L735-T892 HydrophobicContact CB-CG2 4.01Å; L735-P893 WeakPolarHBondContact O-CD 3.38Å
736	I	82.2	Confident	66.5	Low	35 Å²	35	75.4 Å²	75.4	18%	0.179	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	156.1	166.3	60.8	171.7	0	0	0	110.4	L738 F762 G763 P765 P893	I736-L738 HydrophobicContact CD1-CD1 4.36Å; I736-L738 HydrophobicContact CD1-CD2 3.82Å; I736-L738 HydrophobicContact CD1-CG 4.14Å; I736-L738 HydrophobicContact CG1-CD2 4.39Å; I736-L738 HydrophobicContact CG1-CG 4.28Å; I736-F762 WeakPolarHBondContact O-CA 3.47Å; I736-G763 PolarHBondContact N-O 2.57Å; I736-G763 PolarHBondContact O-N 3.44Å; I736-P765 HydrophobicContact CG2-CG 4.03Å; I736-P893 HydrophobicContact CG2-CG 4.32Å
737	I	86	Confident	68.6	Low	15 Å²	15	69.3 Å²	69.3	8%	0.077	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.6	173.4	-61.5	172.2	0	0	0	107.9	L760 F762 L881 T892 F895	I737-L760 HydrophobicContact CG2-CD1 3.53Å; I737-L760 HydrophobicContact CG2-CG 3.93Å; I737-F762 HydrophobicContact CD1-CE1 4.33Å; I737-F762 HydrophobicContact CG1-CD1 4.12Å; I737-F762 HydrophobicContact CG1-CE1 3.8Å; I737-L881 HydrophobicContact CD1-CD2 3.97Å; I737-L881 HydrophobicContact CD1-CG 3.89Å; I737-L881 HydrophobicContact CG2-CD2 4.37Å; I737-T892 HydrophobicContact CD1-CG2 4.4Å; I737-T892 WeakPolarHBondContact CD1-OG1 3.33Å; I737-T892 HydrophobicContact CG1-CG2 4.24Å; I737-F895 HydrophobicContact CB-CB 3.89Å; I737-F895 HydrophobicContact CB-CD2 4.13Å; I737-F895 HydrophobicContact CB-CG 4.08Å; I737-F895 HydrophobicContact CD1-CB 3.93Å; I737-F895 HydrophobicContact CG2-CB 3.72Å; I737-F895 HydrophobicContact CG2-CD1 3.9Å; I737-F895 HydrophobicContact CG2-CD2 3.71Å; I737-F895 HydrophobicContact CG2-CE1 4.48Å; I737-F895 HydrophobicContact CG2-CE2 4.32Å; I737-F895 HydrophobicContact CG2-CG 3.48Å; I737-F895 VanDerWaalsContact CG2-CG 3.48Å
738	L	85.4	Confident	70.8	Confident	45 Å²	45	69 Å²	69	24%	0.236	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.9	179.7	-62.3	174.8	0	0	0	109.5	I736 L760 R761	I736-L738 HydrophobicContact CD1-CD1 4.36Å; I736-L738 HydrophobicContact CD1-CD2 3.82Å; I736-L738 HydrophobicContact CD1-CG 4.14Å; I736-L738 HydrophobicContact CG1-CD2 4.39Å; I736-L738 HydrophobicContact CG1-CG 4.28Å; L738-L760 CarbonylContact O-C 3.57Å; L738-L760 WeakPolarHBondContact O-CA 3.42Å; L738-R761 HydrophobicContact CB-CG 3.83Å; L738-R761 HydrophobicContact CD1-CG 4.5Å; L738-R761 PolarHBondContact N-O 2.98Å; L738-R761 PolarHBondContact O-N 3.21Å
739	G	87.3	Confident	73.4	Confident	26 Å²	26	60.1 Å²	60.1	27%	0.268	35%	0.345	S	S	.	.	S	Bend	trans	168.8	-173.6	179	0	0	0	0	0	111
740	S	86.8	Confident	75.7	Confident	50 Å²	50	59.9 Å²	59.9	35%	0.35	34%	0.337	S	S	.	.			trans	-74.5	126.3	175.5	-64.8	0	0	0	0	111.2	D759	S740-D759 WeakPolarHBondContact CB-OD1 3.48Å; S740-D759 VanDerWaalsContact N-CG 3.29Å; S740-D759 PolarHBondContact N-OD1 2.93Å; S740-D759 PolarHBondContact N-OD2 3.38Å; S740-D759 VanDerWaalsContact OG-CG 3.3Å; S740-D759 PolarHBondContact OG-OD1 2.72Å; S740-D759 PolarHBondContact OG-OD2 3.07Å
741	D	81.8	Confident	77.7	Confident	91 Å²	91	57 Å²	57	49%	0.487	33%	0.329	S	S	.	.			trans	-99.1	-11.3	-176.4	66.7	-29.4	0	0	0	113.3	F895 V897 K898	D741-F895 HydrophobicContact CB-CZ 4.48Å; D741-V897 CarbonylContact O-C 3.49Å; D741-V897 WeakPolarHBondContact O-CA 3.46Å; D741-K898 PolarHBondContact O-N 3.15Å
742	I	83.2	Confident	79.4	Confident	86 Å²	86	54.7 Å²	54.7	44%	0.441	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.8	178.7	-59.3	173.9	0	0	0	110.1	T744 K898	I742-T744 HydrophobicContact CG2-CG2 4.32Å; I742-K898 WeakPolarHBondContact CA-O 3.26Å; I742-K898 HydrophobicContact CG1-CB 4.39Å
743	V	86.1	Confident	81	Confident	18 Å²	18	53.5 Å²	53.5	11%	0.109	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	102.9	178	-177	0	0	0	0	110.4	T745 I754 V897 K898 I899 V900	V743-T745 HydrophobicContact CG1-CG2 4.17Å; V743-I754 HydrophobicContact CG1-CG2 3.54Å; V743-V897 HydrophobicContact CG2-CG1 3.8Å; V743-K898 PolarHBondContact N-O 3.06Å; V743-I899 WeakPolarHBondContact O-CA 3.38Å; V743-V900 PolarHBondContact O-N 3.39Å
744	T	84.3	Confident	82.4	Confident	87 Å²	87	51.2 Å²	51.2	53%	0.534	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132	176.9	51.9	0	0	0	0	111.8	I742 V900	I742-T744 HydrophobicContact CG2-CG2 4.32Å; T744-V900 CarbonylContact C-O 3.41Å; T744-V900 WeakPolarHBondContact CA-O 3.34Å; T744-V900 HydrophobicContact CG2-CB 4.26Å
745	T	86.7	Confident	83.5	Confident	32 Å²	32	51.4 Å²	51.4	20%	0.196	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	166.1	179	64.6	0	0	0	0	112.4	V743 I754 V900 I901 Q902	V743-T745 HydrophobicContact CG1-CG2 4.17Å; T745-I754 HydrophobicContact CG2-CD1 4.1Å; T745-I754 HydrophobicContact CG2-CG1 4.16Å; T745-I754 HydrophobicContact CG2-CG2 4.02Å; T745-V900 PolarHBondContact N-O 2.95Å; T745-I901 CarbonylContact O-C 3.56Å; T745-I901 WeakPolarHBondContact O-CA 3.15Å; T745-Q902 PolarHBondContact O-N 3.08Å
746	E	81.9	Confident	83.9	Confident	100 Å²	100	51.2 Å²	51.2	47%	0.467	30%	0.304	S	S	.	.			trans	-124.9	149.5	174.3	-75.1	-176.2	-148.7	0	0	112.2	Q902	E746-Q902 HydrophobicContact CG-CB 4.23Å
747	P	77.5	Confident	84.4	Confident	16 Å²	16	49.6 Å²	49.6	10%	0.104	30%	0.295	C	S	.	.	S	Bend	trans	-69.4	147.5	172.7	-19.4	31.8	0	0	0	113.9	I874 I901 Q902 K904	P747-I874 HydrophobicContact CG-CD1 4.49Å; P747-I901 HydrophobicContact CG-CG2 3.75Å; P747-Q902 WeakPolarHBondContact CD-O 3.4Å; P747-K904 WeakPolarHBondContact O-CE 3.35Å
748	P	77	Confident	84.5	Confident	64 Å²	64	52 Å²	52	42%	0.416	31%	0.314	S	S	.	.	S	Bend	cis	-85.8	142.1	1	34.1	-33.3	0	0	0	112.7	N750	P748-N750 PolarHBondContact O-N 2.96Å
749	I	80.6	Confident	84.6	Confident	38 Å²	38	52.9 Å²	52.9	20%	0.195	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-81.9	118.4	173.1	-68.1	154.8	0	0	0	108.5	I754 W856 P857 I901	I749-I754 HydrophobicContact CD1-CD1 3.69Å; I749-I754 HydrophobicContact CD1-CG1 4.17Å; I749-I754 HydrophobicContact CG1-CD1 4.3Å; I749-I754 HydrophobicContact CG1-CG1 4.31Å; I749-I754 HydrophobicContact CG2-CG1 4.05Å; I749-W856 HydrophobicContact CG2-CE3 4.34Å; I749-W856 HydrophobicContact CG2-CZ3 4.31Å; I749-P857 HydrophobicContact CD1-CG 3.4Å; I749-I901 HydrophobicContact CD1-CD1 3.7Å; I749-I901 HydrophobicContact CD1-CG1 4.42Å
750	N	79.8	Confident	84.8	Confident	111 Å²	111	51.7 Å²	51.7	59%	0.594	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-100.9	161.3	-177.6	-64.9	-36.8	0	0	0	110.8	P748 G753	P748-N750 PolarHBondContact O-N 2.96Å; N750-G753 PolarHBondContact O-N 3.47Å
751	P	79.5	Confident	85	Confident	108 Å²	108	54.5 Å²	54.5	70%	0.701	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	141.7	171.9	-22.5	32	0	0	0	111.8	W856	P751-W856 HydrophobicContact CB-CH2 4.16Å; P751-W856 HydrophobicContact CB-CZ2 4.26Å; P751-W856 HydrophobicContact CG-CH2 3.9Å; P751-W856 HydrophobicContact CG-CZ2 4.41Å
752	P	78.9	Confident	85.3	Confident	88 Å²	88	50.5 Å²	50.5	57%	0.571	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.9	13.6	9.5	37	-37.4	0	0	0	115.6	R854 W856	P752-R854 WeakPolarHBondContact O-CB 3.22Å; P752-W856 PolarHBondContact O-NE1 3.28Å
753	G	86.4	Confident	85.4	Confident	11 Å²	11	46.4 Å²	46.4	11%	0.113	27%	0.267	C	S	.	.			trans	97.4	-178.9	-174	0	0	0	0	0	113.3	N750	N750-G753 PolarHBondContact O-N 3.47Å
754	I	90.4	Very high	85.1	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	128	-173.7	-58.5	179.1	0	0	0	110.2	V743 T745 I749 R854 F855 I899 I901	V743-I754 HydrophobicContact CG1-CG2 3.54Å; T745-I754 HydrophobicContact CG2-CD1 4.1Å; T745-I754 HydrophobicContact CG2-CG1 4.16Å; T745-I754 HydrophobicContact CG2-CG2 4.02Å; I749-I754 HydrophobicContact CD1-CD1 3.69Å; I749-I754 HydrophobicContact CD1-CG1 4.17Å; I749-I754 HydrophobicContact CG1-CD1 4.3Å; I749-I754 HydrophobicContact CG1-CG1 4.31Å; I749-I754 HydrophobicContact CG2-CG1 4.05Å; I754-R854 CarbonylContact O-C 3.44Å; I754-R854 WeakPolarHBondContact O-CA 3.45Å; I754-F855 HydrophobicContact CD1-CD1 4.38Å; I754-F855 PolarHBondContact N-O 3.35Å; I754-F855 PolarHBondContact O-N 3.04Å; I754-I899 HydrophobicContact CD1-CG2 3.69Å; I754-I899 HydrophobicContact CG2-CD1 4.23Å; I754-I901 HydrophobicContact CD1-CD1 4.41Å
755	P	91.3	Very high	84.3	Confident	47 Å²	47	45.3 Å²	45.3	31%	0.305	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	133.6	171.8	27.9	-34.1	0	0	0	112
756	L	89.4	Confident	83	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	28%	0.283	C	S	.	.	S	Bend	trans	-92.9	-57.1	177.3	-71.3	-179.3	0	0	0	113	I814 F853 F855 I879 V897 I899	L756-I814 HydrophobicContact CD1-CG2 3.9Å; L756-F853 HydrophobicContact CB-CB 4.29Å; L756-F853 HydrophobicContact CD1-CB 4.08Å; L756-F853 PolarHBondContact N-O 3.24Å; L756-F855 HydrophobicContact CD1-CB 4.3Å; L756-F855 HydrophobicContact CD2-CB 3.82Å; L756-F855 HydrophobicContact CG-CB 4.15Å; L756-I879 HydrophobicContact CD1-CD1 4.18Å; L756-I879 HydrophobicContact CD1-CG2 4.12Å; L756-I879 HydrophobicContact CD2-CB 4.48Å; L756-I879 HydrophobicContact CD2-CD1 3.49Å; L756-I879 VanDerWaalsContact CD2-CD1 3.49Å; L756-I879 HydrophobicContact CD2-CG2 4.35Å; L756-V897 HydrophobicContact CD2-CG1 4.44Å; L756-I899 HydrophobicContact CD2-CD1 3.71Å; L756-I899 HydrophobicContact CD2-CG1 4.37Å
757	F	92.4	Very high	81.6	Confident	1 Å²	1	46 Å²	46	0%	0.004	27%	0.269	C	S	.	.	S	Bend	trans	-121	39.1	-167.2	-52.9	-63.4	0	0	0	111.8	D759 L760 V789 L850 Q851 F853 I879 L881 F895 V897	F757-D759 PolarHBondContact O-N 3.28Å; F757-D759 VanDerWaalsContact O-N 3.08Å; F757-L760 HydrophobicContact CB-CB 3.78Å; F757-L760 HydrophobicContact CB-CD1 3.87Å; F757-L760 HydrophobicContact CB-CG 4.44Å; F757-L760 HydrophobicContact CD1-CD1 3.95Å; F757-L760 HydrophobicContact CG-CD1 4.04Å; F757-L760 VanDerWaalsContact O-CB 3.25Å; F757-L760 WeakPolarHBondContact O-CB 3.33Å; F757-L760 PolarHBondContact O-N 2.82Å; F757-V789 HydrophobicContact CE2-CG1 3.85Å; F757-V789 HydrophobicContact CE2-CG2 3.77Å; F757-V789 HydrophobicContact CZ-CG1 3.97Å; F757-V789 HydrophobicContact CZ-CG2 4.13Å; F757-L850 HydrophobicContact CB-CB 4.39Å; F757-L850 HydrophobicContact CD2-CB 4.17Å; F757-L850 HydrophobicContact CD2-CD2 4.21Å; F757-L850 WeakPolarHBondContact CD2-O 3.28Å; F757-L850 HydrophobicContact CE2-CD2 4.26Å; F757-Q851 WeakPolarHBondContact O-CA 3.49Å; F757-Q851 VanDerWaalsContact O-CG 3.25Å; F757-Q851 WeakPolarHBondContact O-CG 3.14Å; F757-F853 HydrophobicContact CD2-CB 4.02Å; F757-F853 HydrophobicContact CD2-CG 4.42Å; F757-F853 HydrophobicContact CE2-CB 4.25Å; F757-F853 HydrophobicContact CE2-CD1 4.38Å; F757-F853 HydrophobicContact CE2-CG 4.43Å; F757-I879 HydrophobicContact CZ-CG2 4.17Å; F757-L881 HydrophobicContact CD1-CD2 4.07Å; F757-L881 HydrophobicContact CE1-CB 3.8Å; F757-L881 HydrophobicContact CE1-CD2 3.91Å; F757-L881 HydrophobicContact CG-CD2 4.47Å; F757-L881 HydrophobicContact CZ-CB 3.75Å; F757-L881 HydrophobicContact CZ-CD2 4.17Å; F757-L881 HydrophobicContact CZ-CG 4.48Å; F757-F895 HydrophobicContact CD1-CD1 4.2Å; F757-F895 HydrophobicContact CD1-CE1 4.15Å; F757-F895 HydrophobicContact CE1-CD1 4.18Å; F757-F895 HydrophobicContact CE1-CE1 4.46Å; F757-V897 HydrophobicContact CD1-CG2 3.71Å; F757-V897 HydrophobicContact CE1-CB 4.43Å; F757-V897 HydrophobicContact CE1-CG2 3.54Å
758	S	86.9	Confident	80	Confident	66 Å²	66	54.3 Å²	54.3	46%	0.462	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.5	-163.6	35.2	0	0	0	0	116.2
759	D	87.7	Confident	78.5	Confident	64 Å²	64	56.9 Å²	56.9	34%	0.342	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	14	-177.6	63.3	-30	0	0	0	112.5	S740 F757 R761	S740-D759 WeakPolarHBondContact CB-OD1 3.48Å; S740-D759 VanDerWaalsContact N-CG 3.29Å; S740-D759 PolarHBondContact N-OD1 2.93Å; S740-D759 PolarHBondContact N-OD2 3.38Å; S740-D759 VanDerWaalsContact OG-CG 3.3Å; S740-D759 PolarHBondContact OG-OD1 2.72Å; S740-D759 PolarHBondContact OG-OD2 3.07Å; F757-D759 PolarHBondContact O-N 3.28Å; F757-D759 VanDerWaalsContact O-N 3.08Å; D759-R761 PolarHBondContact O-N 3.29Å
760	L	92.6	Very high	76.9	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	34%	0.343	C	S	.	.			trans	-63.5	132.5	-175.3	-179.9	147.6	0	0	0	112.2	I737 L738 F757 F762 A847 L850 Q851 L881 F895	I737-L760 HydrophobicContact CG2-CD1 3.53Å; I737-L760 HydrophobicContact CG2-CG 3.93Å; L738-L760 CarbonylContact O-C 3.57Å; L738-L760 WeakPolarHBondContact O-CA 3.42Å; F757-L760 HydrophobicContact CB-CB 3.78Å; F757-L760 HydrophobicContact CB-CD1 3.87Å; F757-L760 HydrophobicContact CB-CG 4.44Å; F757-L760 HydrophobicContact CD1-CD1 3.95Å; F757-L760 HydrophobicContact CG-CD1 4.04Å; F757-L760 VanDerWaalsContact O-CB 3.25Å; F757-L760 WeakPolarHBondContact O-CB 3.33Å; F757-L760 PolarHBondContact O-N 2.82Å; L760-F762 HydrophobicContact CD2-CE2 4.1Å; L760-F762 HydrophobicContact CD2-CZ 4.49Å; L760-A847 HydrophobicContact CD2-CB 3.92Å; L760-L850 HydrophobicContact CD2-CB 4.43Å; L760-L850 HydrophobicContact CD2-CD1 4.17Å; L760-Q851 PolarHBondContact O-NE2 3.15Å; L760-L881 HydrophobicContact CD1-CD2 3.24Å; L760-F895 HydrophobicContact CD1-CD1 4.49Å
761	R	89.7	Confident	75.2	Confident	109 Å²	109	61.7 Å²	61.7	41%	0.411	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	158.2	170.7	67.6	-174.1	-175.7	-82.7	7.6	110.5	L738 D759	L738-R761 HydrophobicContact CB-CG 3.83Å; L738-R761 HydrophobicContact CD1-CG 4.5Å; L738-R761 PolarHBondContact N-O 2.98Å; L738-R761 PolarHBondContact O-N 3.21Å; D759-R761 PolarHBondContact O-N 3.29Å
762	F	89.8	Confident	74	Confident	7 Å²	7	59 Å²	59	3%	0.031	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	140.9	169	-67.9	-86.1	0	0	0	109.9	L735 I736 I737 L760 A779 L784 A843 A847 L850 C883 T892	L735-F762 HydrophobicContact CD1-CD1 4.32Å; L735-F762 HydrophobicContact CD2-CB 4.35Å; I736-F762 WeakPolarHBondContact O-CA 3.47Å; I737-F762 HydrophobicContact CD1-CE1 4.33Å; I737-F762 HydrophobicContact CG1-CD1 4.12Å; I737-F762 HydrophobicContact CG1-CE1 3.8Å; L760-F762 HydrophobicContact CD2-CE2 4.1Å; L760-F762 HydrophobicContact CD2-CZ 4.49Å; F762-A779 HydrophobicContact CB-CB 4.37Å; F762-A779 WeakPolarHBondContact O-CB 3.42Å; F762-L784 HydrophobicContact CE1-CD1 3.82Å; F762-L784 HydrophobicContact CE2-CD1 4.04Å; F762-L784 HydrophobicContact CZ-CD1 3.56Å; F762-A843 HydrophobicContact CB-CB 4.12Å; F762-A843 HydrophobicContact CD1-CB 4.45Å; F762-A843 HydrophobicContact CD2-CB 3.6Å; F762-A843 WeakPolarHBondContact CD2-O 3.06Å; F762-A843 HydrophobicContact CE2-CB 4.1Å; F762-A843 VanDerWaalsContact CE2-O 3.28Å; F762-A843 WeakPolarHBondContact CE2-O 3.15Å; F762-A843 HydrophobicContact CG-CB 3.79Å; F762-A847 HydrophobicContact CD2-CB 4.05Å; F762-A847 HydrophobicContact CE2-CB 3.97Å; F762-L850 HydrophobicContact CZ-CD1 4.41Å; F762-C883 HydrophobicContact CE1-CB 4.38Å; F762-T892 HydrophobicContact CE1-CG2 4.32Å
763	G	85	Confident	73.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	177.6	-177.5	0	0	0	0	0	112.9	L735 I736 E767	L735-G763 WeakPolarHBondContact CA-O 3.44Å; I736-G763 PolarHBondContact N-O 2.57Å; I736-G763 PolarHBondContact O-N 3.44Å; G763-E767 WeakPolarHBondContact CA-OE2 3.31Å
764	L	80.5	Confident	72.2	Confident	24 Å²	24	62.1 Å²	62.1	13%	0.126	36%	0.36	C	S	.	.			trans	-110.1	143.5	171.6	-61.4	-178.3	0	0	0	109.4	P733 S734 L735 T766 E767 V778 A779	P733-L764 HydrophobicContact CB-CD2 3.93Å; P733-L764 HydrophobicContact CG-CD2 4.06Å; S734-L764 WeakPolarHBondContact O-CD2 3.47Å; L735-L764 HydrophobicContact CD2-CD2 4.22Å; L764-T766 PolarHBondContact O-N 3.05Å; L764-E767 PolarHBondContact N-OE2 2.65Å; L764-E767 WeakPolarHBondContact O-CB 3.33Å; L764-E767 PolarHBondContact O-N 3.18Å; L764-V778 HydrophobicContact CD1-CG1 4.3Å; L764-A779 HydrophobicContact CD2-CB 4.15Å; L764-A779 HydrophobicContact CG-CB 4.2Å
765	P	65.7	Low	71.1	Confident	57 Å²	57	62.5 Å²	62.5	37%	0.37	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-50.4	-26.9	-177.6	-29.9	33.2	0	0	0	115.8	S734 I736 E767	S734-P765 WeakPolarHBondContact O-CD 3.35Å; I736-P765 HydrophobicContact CG2-CG 4.03Å; P765-E767 PolarHBondContact O-N 2.84Å
766	T	60.1	Low	70.2	Confident	114 Å²	114	61.9 Å²	61.9	70%	0.699	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-71.3	-7.1	177.3	52.2	0	0	0	0	115	L764 Q768	L764-T766 PolarHBondContact O-N 3.05Å; T766-Q768 VanDerWaalsContact C-N 3.26Å; T766-Q768 PolarHBondContact O-N 3.04Å
767	E	51.6	Low	69.5	Low	33 Å²	33	68.7 Å²	68.7	15%	0.154	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-73.6	-0.2	-176.7	-81.8	178.9	135.9	0	0	115.4	G763 L764 P765 V769 S775 S776	G763-E767 WeakPolarHBondContact CA-OE2 3.31Å; L764-E767 PolarHBondContact N-OE2 2.65Å; L764-E767 WeakPolarHBondContact O-CB 3.33Å; L764-E767 PolarHBondContact O-N 3.18Å; P765-E767 PolarHBondContact O-N 2.84Å; E767-V769 PolarHBondContact O-N 3.38Å; E767-V769 VanDerWaalsContact O-N 3.08Å; E767-S775 WeakPolarHBondContact CG-OG 3.43Å; E767-S775 PolarHBondContact OE1-OG 3.32Å; E767-S775 VanDerWaalsContact OE1-OG 3.08Å; E767-S776 WeakPolarHBondContact OE1-CB 3.37Å; E767-S776 PolarHBondContact OE1-N 3.36Å; E767-S776 PolarHBondContact OE1-OG 3.29Å
768	Q	45.9	Very low	69	Low	190 Å²	190	72.6 Å²	72.6	89%	0.888	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-65.1	-9.1	173.7	-76	-162.4	-7	0	0	114.3	T766	T766-Q768 VanDerWaalsContact C-N 3.26Å; T766-Q768 PolarHBondContact O-N 3.04Å
769	V	44.9	Very low	68.9	Low	118 Å²	118	69.5 Å²	69.5	72%	0.715	39%	0.393	S	S	*	.	S	Bend	trans	-130	102.8	174.5	-172.2	0	0	0	0	111.2	E767	E767-V769 PolarHBondContact O-N 3.38Å; E767-V769 VanDerWaalsContact O-N 3.08Å
770	S	45.9	Very low	68.8	Low	95 Å²	95	67.6 Å²	67.6	66%	0.664	39%	0.387	S	S	*	.			trans	71	129.5	171.8	70.6	0	0	0	0	118.2	S772	S770-S772 PolarHBondContact O-N 3.42Å
771	D	44	Very low	68.5	Low	155 Å²	155	69.9 Å²	69.9	83%	0.829	41%	0.41	S	S	*	.			trans	-63.3	81.4	178.3	-65.7	-60.2	0	0	0	112.9	S773	D771-S773 PolarHBondContact O-N 3.36Å
772	S	54.3	Low	68.4	Low	53 Å²	53	65 Å²	65	37%	0.371	39%	0.393	S	S	.	.			trans	-85.7	100.5	167.8	69.9	0	0	0	0	109.8	S770 S774 S775	S770-S772 PolarHBondContact O-N 3.42Å; S772-S774 PolarHBondContact O-N 3.31Å; S772-S775 PolarHBondContact O-N 3.34Å; S772-S775 PolarHBondContact O-OG 3.35Å; S772-S775 PolarHBondContact OG-OG 2.79Å; S772-S775 VanDerWaalsContact OG-OG 3.08Å
773	S	62.4	Low	68.1	Low	92 Å²	92	67 Å²	67	64%	0.643	41%	0.406	S	S	*	.	H	α-helix	trans	-56.9	-16.6	-177.1	57.9	0	0	0	0	114.9	D771 Q777	D771-S773 PolarHBondContact O-N 3.36Å; S773-Q777 VanDerWaalsContact O-CG 3.27Å; S773-Q777 WeakPolarHBondContact O-CG 3.21Å; S773-Q777 PolarHBondContact O-N 3.28Å
774	S	65.4	Low	68.2	Low	72 Å²	72	67 Å²	67	50%	0.503	41%	0.406	S	S	.	.	H	α-helix	trans	-69.8	-35.7	170.3	47.7	0	0	0	0	113.6	S772 Q777 V778	S772-S774 PolarHBondContact O-N 3.31Å; S774-Q777 PolarHBondContact O-N 3.23Å; S774-V778 WeakPolarHBondContact O-CG2 3.41Å; S774-V778 PolarHBondContact O-N 3.24Å; S774-V778 VanDerWaalsContact O-N 3.14Å
775	S	67.5	Low	68.3	Low	13 Å²	13	67.1 Å²	67.1	9%	0.091	41%	0.407	C	S	.	.	H	α-helix	trans	-70.5	-45.7	-176.6	61.5	0	0	0	0	112	E767 S772 Q777 V778 A779	E767-S775 WeakPolarHBondContact CG-OG 3.43Å; E767-S775 PolarHBondContact OE1-OG 3.32Å; E767-S775 VanDerWaalsContact OE1-OG 3.08Å; S772-S775 PolarHBondContact O-N 3.34Å; S772-S775 PolarHBondContact O-OG 3.35Å; S772-S775 PolarHBondContact OG-OG 2.79Å; S772-S775 VanDerWaalsContact OG-OG 3.08Å; S775-Q777 VanDerWaalsContact C-N 3.28Å; S775-Q777 PolarHBondContact O-N 2.91Å; S775-V778 WeakPolarHBondContact O-CB 3.35Å; S775-V778 PolarHBondContact O-N 2.75Å; S775-V778 VanDerWaalsContact O-N 3.08Å; S775-A779 PolarHBondContact O-N 2.86Å
776	S	72.3	Confident	69.3	Low	34 Å²	34	65.2 Å²	65.2	24%	0.238	39%	0.394	C	S	.	.	H	α-helix	trans	-66	-28.7	174.6	-21.4	0	0	0	0	112.5	E767 A780	E767-S776 WeakPolarHBondContact OE1-CB 3.37Å; E767-S776 PolarHBondContact OE1-N 3.36Å; E767-S776 PolarHBondContact OE1-OG 3.29Å; S776-A780 VanDerWaalsContact O-CB 3.23Å; S776-A780 WeakPolarHBondContact O-CB 3.32Å; S776-A780 PolarHBondContact O-N 3.25Å
777	Q	75.8	Confident	70.7	Confident	145 Å²	145	59.9 Å²	59.9	68%	0.678	36%	0.361	S	S	*	.	H	α-helix	trans	-66.3	-38.3	170.3	-78.2	175.4	12.5	0	0	112.6	S773 S774 S775 G781	S773-Q777 VanDerWaalsContact O-CG 3.27Å; S773-Q777 WeakPolarHBondContact O-CG 3.21Å; S773-Q777 PolarHBondContact O-N 3.28Å; S774-Q777 PolarHBondContact O-N 3.23Å; S775-Q777 VanDerWaalsContact C-N 3.28Å; S775-Q777 PolarHBondContact O-N 2.91Å; Q777-G781 PolarHBondContact O-N 3.24Å
778	V	80.2	Confident	72.4	Confident	83 Å²	83	58.6 Å²	58.6	50%	0.503	36%	0.355	S	S	.	.	H	α-helix	trans	-66.6	-48.3	173.9	172.1	0	0	0	0	110.2	L764 S774 S775 A780 G781 V782	L764-V778 HydrophobicContact CD1-CG1 4.3Å; S774-V778 WeakPolarHBondContact O-CG2 3.41Å; S774-V778 PolarHBondContact O-N 3.24Å; S774-V778 VanDerWaalsContact O-N 3.14Å; S775-V778 WeakPolarHBondContact O-CB 3.35Å; S775-V778 PolarHBondContact O-N 2.75Å; S775-V778 VanDerWaalsContact O-N 3.08Å; V778-A780 VanDerWaalsContact C-N 3.34Å; V778-A780 PolarHBondContact O-N 2.97Å; V778-G781 PolarHBondContact O-N 3.36Å; V778-V782 PolarHBondContact O-N 3.25Å
779	A	85.2	Confident	74.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.7	-45.3	177.5	0	0	0	0	0	112.4	L735 F762 L764 S775 G781 V782 A843	L735-A779 HydrophobicContact CD2-CB 3.76Å; F762-A779 HydrophobicContact CB-CB 4.37Å; F762-A779 WeakPolarHBondContact O-CB 3.42Å; L764-A779 HydrophobicContact CD2-CB 4.15Å; L764-A779 HydrophobicContact CG-CB 4.2Å; S775-A779 PolarHBondContact O-N 2.86Å; A779-G781 PolarHBondContact O-N 3.26Å; A779-G781 VanDerWaalsContact O-N 3.15Å; A779-V782 WeakPolarHBondContact O-CB 3.33Å; A779-V782 PolarHBondContact O-N 2.65Å; A779-V782 VanDerWaalsContact O-N 3.1Å; A779-A843 WeakPolarHBondContact O-CB 3.48Å
780	A	86.3	Confident	76.1	Confident	25 Å²	25	44.1 Å²	44.1	21%	0.207	28%	0.28	C	S	.	.	H	α-helix	trans	-58.4	-26.4	176.8	0	0	0	0	0	114.1	S776 V778 A843 L844	S776-A780 VanDerWaalsContact O-CB 3.23Å; S776-A780 WeakPolarHBondContact O-CB 3.32Å; S776-A780 PolarHBondContact O-N 3.25Å; V778-A780 VanDerWaalsContact C-N 3.34Å; V778-A780 PolarHBondContact O-N 2.97Å; A780-A843 PolarHBondContact O-N 2.83Å; A780-L844 HydrophobicContact CB-CB 4.15Å; A780-L844 WeakPolarHBondContact O-CB 3.33Å; A780-L844 PolarHBondContact O-N 2.85Å
781	G	85.3	Confident	77.5	Confident	48 Å²	48	40 Å²	40	50%	0.495	25%	0.25	S	C	.	.	H	α-helix	trans	-86.5	-13.5	178	0	0	0	0	0	115.4	Q777 V778 A779	Q777-G781 PolarHBondContact O-N 3.24Å; V778-G781 PolarHBondContact O-N 3.36Å; A779-G781 PolarHBondContact O-N 3.26Å; A779-G781 VanDerWaalsContact O-N 3.15Å
782	V	87.8	Confident	78.7	Confident	7 Å²	7	33.2 Å²	33.2	4%	0.042	21%	0.214	C	C	.	.	S	Bend	trans	-65.7	131.3	-177.5	177.3	0	0	0	0	110.2	P733 L735 V778 A779 L784 P842 A843 L885	P733-V782 HydrophobicContact CG-CG2 3.78Å; L735-V782 HydrophobicContact CD1-CB 3.9Å; L735-V782 HydrophobicContact CD1-CG1 3.69Å; L735-V782 HydrophobicContact CD2-CB 4.1Å; L735-V782 HydrophobicContact CD2-CG1 4.45Å; L735-V782 HydrophobicContact CD2-CG2 3.93Å; L735-V782 HydrophobicContact CG-CB 4.25Å; L735-V782 HydrophobicContact CG-CG1 4.07Å; L735-V782 HydrophobicContact CG-CG2 4.4Å; V778-V782 PolarHBondContact O-N 3.25Å; A779-V782 WeakPolarHBondContact O-CB 3.33Å; A779-V782 PolarHBondContact O-N 2.65Å; A779-V782 VanDerWaalsContact O-N 3.1Å; V782-L784 PolarHBondContact O-N 2.82Å; V782-P842 CarbonylContact O-C 3.57Å; V782-P842 WeakPolarHBondContact O-CA 3.19Å; V782-A843 WeakPolarHBondContact O-CB 3.41Å; V782-A843 PolarHBondContact O-N 2.87Å; V782-L885 HydrophobicContact CG1-CD1 3.98Å
783	P	84.8	Confident	79.4	Confident	48 Å²	48	30.8 Å²	30.8	31%	0.312	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	117.4	178.3	30.1	-33.3	0	0	0	111.3	R840 K841	P783-R840 HydrophobicContact CB-CG 4.17Å; P783-K841 WeakPolarHBondContact CA-O 3.43Å
784	L	87.3	Confident	79.9	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	149.1	167.4	-62.1	176.4	0	0	0	109.8	L735 F762 V782 R840 K841 A843 Y846 C883 S884 L885	L735-L784 HydrophobicContact CD1-CD2 3.51Å; L735-L784 HydrophobicContact CD1-CG 4.35Å; F762-L784 HydrophobicContact CE1-CD1 3.82Å; F762-L784 HydrophobicContact CE2-CD1 4.04Å; F762-L784 HydrophobicContact CZ-CD1 3.56Å; V782-L784 PolarHBondContact O-N 2.82Å; L784-R840 VanDerWaalsContact O-CA 3.27Å; L784-R840 WeakPolarHBondContact O-CA 3.46Å; L784-K841 PolarHBondContact N-O 2.92Å; L784-K841 PolarHBondContact O-N 3.39Å; L784-A843 HydrophobicContact CD1-CB 3.84Å; L784-A843 HydrophobicContact CG-CB 4.02Å; L784-Y846 HydrophobicContact CB-CD2 3.78Å; L784-Y846 HydrophobicContact CB-CE2 3.7Å; L784-Y846 HydrophobicContact CD1-CD2 3.84Å; L784-Y846 HydrophobicContact CD1-CG 3.97Å; L784-Y846 HydrophobicContact CG-CD2 4.33Å; L784-C883 HydrophobicContact CD1-CB 3.96Å; L784-C883 HydrophobicContact CD2-CB 4.08Å; L784-S884 WeakPolarHBondContact CA-O 3.44Å; L784-L885 HydrophobicContact CD2-CB 4.15Å; L784-L885 HydrophobicContact CD2-CD2 4.43Å
785	D	82.7	Confident	80.3	Confident	28 Å²	28	23.9 Å²	23.9	15%	0.15	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-38.1	177.4	-66.7	-66.4	0	0	0	112.1	G839 R840 Y846 S884 L885 D886 S887	D785-G839 CarbonylContact O-C 3.53Å; D785-G839 PolarHBondContact O-N 2.83Å; D785-R840 WeakPolarHBondContact OD1-CD 3.45Å; D785-R840 WeakPolarHBondContact OD1-CG 3.22Å; D785-R840 IonicContact OD1-NE 3.08Å; D785-Y846 PolarHBondContact O-OH 3.21Å; D785-S884 PolarHBondContact N-O 2.86Å; D785-L885 WeakPolarHBondContact OD2-CA 3.12Å; D785-D886 PolarHBondContact OD2-N 2.77Å; D785-S887 WeakPolarHBondContact OD2-CA 3.49Å; D785-S887 PolarHBondContact OD2-N 2.78Å
786	D	84.9	Confident	80.2	Confident	17 Å²	17	25.1 Å²	25.1	9%	0.091	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	168.9	166.4	64.3	22	0	0	0	113.5	Q836 L837 R838 Y846 C883 S884	D786-Q836 HydrophobicContact CB-CG 4.37Å; D786-Q836 PolarHBondContact OD2-NE2 2.67Å; D786-L837 CarbonylContact C-O 3.57Å; D786-L837 WeakPolarHBondContact CA-O 3.38Å; D786-L837 WeakPolarHBondContact CB-O 3.42Å; D786-R838 HydrophobicContact CB-CB 4.24Å; D786-R838 HydrophobicContact CB-CG 4.25Å; D786-Y846 WeakPolarHBondContact CA-OH 3.41Å; D786-C883 CarbonylContact O-C 3.55Å; D786-C883 VanDerWaalsContact O-CA 3.25Å; D786-C883 WeakPolarHBondContact O-CA 3.46Å; D786-C883 WeakPolarHBondContact O-CB 3.45Å; D786-S884 VanDerWaalsContact CG-OG 3.31Å; D786-S884 PolarHBondContact O-N 2.86Å; D786-S884 VanDerWaalsContact OD1-CB 3.28Å; D786-S884 WeakPolarHBondContact OD1-CB 3.09Å; D786-S884 PolarHBondContact OD1-OG 2.85Å
787	C	91.2	Very high	79.6	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	141.7	164.4	-69.8	0	0	0	0	109.8	Q836 L837 Y846 L881 M882 C883	C787-Q836 CarbonylContact O-C 3.57Å; C787-Q836 WeakPolarHBondContact O-CA 3.25Å; C787-L837 PolarHBondContact N-O 2.57Å; C787-L837 PolarHBondContact O-N 3.19Å; C787-Y846 HydrophobicContact CB-CD1 3.71Å; C787-Y846 HydrophobicContact CB-CE1 3.95Å; C787-Y846 WeakPolarHBondContact SG-CD1 3.45Å; C787-L881 HydrophobicContact CB-CD1 4.26Å; C787-M882 CarbonylContact C-O 3.5Å; C787-M882 WeakPolarHBondContact CA-O 3.48Å; C787-C883 HydrophobicContact CB-CB 4.06Å; C787-C883 WeakPolarHBondContact CB-SG 3.35Å; C787-C883 WeakPolarHBondContact SG-CB 3.37Å; C787-C883 CovalentContact SG-SG 2.04Å; C787-C883 PolarHBondContact SG-SG 3.3Å
788	F	86.2	Confident	78.7	Confident	7 Å²	7	24.4 Å²	24.4	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.6	-178.9	-170.2	-96.5	0	0	0	111.3	P354 W790 I835 Q836 L881 M882	P354-F788 HydrophobicContact CB-CD1 3.3Å; P354-F788 HydrophobicContact CB-CE1 3.03Å; P354-F788 HydrophobicContact CB-CG 4.16Å; P354-F788 HydrophobicContact CB-CZ 3.76Å; P354-F788 HydrophobicContact CG-CD1 3.67Å; P354-F788 HydrophobicContact CG-CE1 3.51Å; F788-W790 HydrophobicContact CD1-CB 4.25Å; F788-W790 HydrophobicContact CD1-CD2 4.02Å; F788-W790 AromaticContact CD1-CE3 3.43Å; F788-W790 HydrophobicContact CD1-CE3 3.43Å; F788-W790 VanDerWaalsContact CD1-CE3 3.43Å; F788-W790 HydrophobicContact CD1-CG 4.39Å; F788-W790 HydrophobicContact CD1-CZ3 4.02Å; F788-W790 HydrophobicContact CE1-CB 3.58Å; F788-W790 HydrophobicContact CE1-CD2 4.05Å; F788-W790 AromaticContact CE1-CE3 3.93Å; F788-W790 HydrophobicContact CE1-CE3 3.93Å; F788-W790 AromaticContact CE1-CG 3.96Å; F788-W790 HydrophobicContact CE1-CG 3.96Å; F788-W790 HydrophobicContact CZ-CB 4.38Å; F788-W790 WeakPolarHBondContact O-CZ3 3.29Å; F788-I835 WeakPolarHBondContact CA-O 3.48Å; F788-Q836 HydrophobicContact CD2-CB 3.66Å; F788-Q836 HydrophobicContact CD2-CG 3.97Å; F788-Q836 HydrophobicContact CE2-CB 4.17Å; F788-L881 WeakPolarHBondContact O-CA 3.42Å; F788-M882 HydrophobicContact CB-CG 4.35Å; F788-M882 PolarHBondContact N-O 3.24Å; F788-M882 PolarHBondContact O-N 2.7Å
789	V	89.4	Confident	77.4	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.6	-179.9	175.8	0	0	0	0	109.8	F757 I814 G834 I835 L850 F853 I879 G880 L881	F757-V789 HydrophobicContact CE2-CG1 3.85Å; F757-V789 HydrophobicContact CE2-CG2 3.77Å; F757-V789 HydrophobicContact CZ-CG1 3.97Å; F757-V789 HydrophobicContact CZ-CG2 4.13Å; V789-I814 HydrophobicContact CG1-CD1 4.15Å; V789-I814 HydrophobicContact CG1-CG2 4.49Å; V789-G834 CarbonylContact O-C 3.6Å; V789-G834 VanDerWaalsContact O-CA 3.29Å; V789-G834 WeakPolarHBondContact O-CA 3.16Å; V789-I835 PolarHBondContact N-O 2.8Å; V789-I835 PolarHBondContact O-N 3.22Å; V789-L850 HydrophobicContact CG2-CD2 3.58Å; V789-F853 HydrophobicContact CB-CD1 4.23Å; V789-F853 HydrophobicContact CB-CE1 3.85Å; V789-F853 HydrophobicContact CG1-CD1 3.96Å; V789-F853 HydrophobicContact CG1-CE1 4.08Å; V789-F853 HydrophobicContact CG2-CD1 4.09Å; V789-F853 HydrophobicContact CG2-CE1 3.73Å; V789-F853 HydrophobicContact CG2-CZ 4.34Å; V789-I879 HydrophobicContact CG1-CG2 4Å; V789-G880 WeakPolarHBondContact CA-O 2.86Å; V789-L881 HydrophobicContact CG2-CB 4.5Å; V789-L881 HydrophobicContact CG2-CD1 3.71Å
790	W	79	Confident	75.8	Confident	3 Å²	3	26.8 Å²	26.8	1%	0.011	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	161.7	-178.1	70.1	108.3	0	0	0	115	P354 F788 I792 T833 I879 G880 M882 E894	P354-W790 HydrophobicContact CG-CD2 3.58Å; P354-W790 VanDerWaalsContact CG-CE2 3.48Å; P354-W790 HydrophobicContact CG-CE3 3.91Å; P354-W790 HydrophobicContact CG-CG 4.04Å; P354-W790 HydrophobicContact CG-CH2 3.99Å; P354-W790 HydrophobicContact CG-CZ2 3.69Å; P354-W790 HydrophobicContact CG-CZ3 4.1Å; F788-W790 HydrophobicContact CD1-CB 4.25Å; F788-W790 HydrophobicContact CD1-CD2 4.02Å; F788-W790 AromaticContact CD1-CE3 3.43Å; F788-W790 HydrophobicContact CD1-CE3 3.43Å; F788-W790 VanDerWaalsContact CD1-CE3 3.43Å; F788-W790 HydrophobicContact CD1-CG 4.39Å; F788-W790 HydrophobicContact CD1-CZ3 4.02Å; F788-W790 HydrophobicContact CE1-CB 3.58Å; F788-W790 HydrophobicContact CE1-CD2 4.05Å; F788-W790 AromaticContact CE1-CE3 3.93Å; F788-W790 HydrophobicContact CE1-CE3 3.93Å; F788-W790 AromaticContact CE1-CG 3.96Å; F788-W790 HydrophobicContact CE1-CG 3.96Å; F788-W790 HydrophobicContact CZ-CB 4.38Å; F788-W790 WeakPolarHBondContact O-CZ3 3.29Å; W790-I792 HydrophobicContact CZ2-CG1 4.43Å; W790-I792 VanDerWaalsContact NE1-CG1 3.32Å; W790-I792 PolarHBondContact O-N 3.12Å; W790-T833 WeakPolarHBondContact CB-O 3.41Å; W790-I879 CarbonylContact O-C 3.57Å; W790-I879 WeakPolarHBondContact O-CA 3.47Å; W790-I879 WeakPolarHBondContact O-CG2 3.37Å; W790-G880 VanDerWaalsContact CZ3-C 3.43Å; W790-G880 PolarHBondContact N-O 3.12Å; W790-G880 PolarHBondContact O-N 3.4Å; W790-M882 HydrophobicContact CH2-CB 4.29Å; W790-M882 HydrophobicContact CH2-CG 4.07Å; W790-M882 HydrophobicContact CH2-SD 4.01Å; W790-M882 HydrophobicContact CZ3-CB 4.22Å; W790-M882 HydrophobicContact CZ3-CG 3.83Å; W790-M882 HydrophobicContact CZ3-SD 4.25Å; W790-E894 VanDerWaalsContact CH2-CD 3.45Å; W790-E894 HydrophobicContact CH2-CG 3.69Å; W790-E894 HydrophobicContact CZ2-CG 4.03Å; W790-E894 VanDerWaalsContact CZ2-OE1 3.29Å; W790-E894 WeakPolarHBondContact CZ2-OE1 3.36Å; W790-E894 WeakPolarHBondContact CZ2-OE2 3.11Å
791	L	76.5	Confident	74.4	Confident	8 Å²	8	30 Å²	30	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	102.4	173.8	-170.3	56.4	0	0	0	109	S793 T794 P804 F855 A877 I879	L791-S793 WeakPolarHBondContact CD1-O 3.31Å; L791-T794 HydrophobicContact CD2-CG2 4.35Å; L791-P804 HydrophobicContact CD2-CB 4.43Å; L791-P804 HydrophobicContact CD2-CG 3.51Å; L791-P804 HydrophobicContact CG-CG 3.64Å; L791-F855 HydrophobicContact CD1-CE2 4.08Å; L791-F855 HydrophobicContact CD1-CZ 4.4Å; L791-F855 HydrophobicContact CD2-CE2 4.25Å; L791-A877 HydrophobicContact CD1-CB 3.95Å; L791-I879 HydrophobicContact CD1-CD1 4.15Å; L791-I879 HydrophobicContact CD1-CG1 3.6Å
792	I	68.8	Low	72.5	Confident	13 Å²	13	29.5 Å²	29.5	7%	0.067	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-54.2	176.1	-61.9	158.4	0	0	0	109	W790 I802 N878 E894 V896	W790-I792 HydrophobicContact CZ2-CG1 4.43Å; W790-I792 VanDerWaalsContact NE1-CG1 3.32Å; W790-I792 PolarHBondContact O-N 3.12Å; I792-I802 CarbonylContact O-C 3.48Å; I792-N878 WeakPolarHBondContact CA-O 3.49Å; I792-N878 HydrophobicContact CB-CB 4.07Å; I792-N878 WeakPolarHBondContact CB-O 3.48Å; I792-N878 HydrophobicContact CD1-CB 4.39Å; I792-N878 HydrophobicContact CG2-CB 4.48Å; I792-N878 PolarHBondContact N-O 3.07Å; I792-E894 VanDerWaalsContact CD1-OE1 3.31Å; I792-E894 WeakPolarHBondContact CD1-OE1 3.49Å; I792-V896 HydrophobicContact CD1-CB 4.31Å; I792-V896 HydrophobicContact CD1-CG1 3.75Å; I792-V896 HydrophobicContact CD1-CG2 3.73Å
793	S	68.3	Low	70.8	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.014	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	156.7	179.5	70.5	0	0	0	0	112.6	L791 N801 A877 N878	L791-S793 WeakPolarHBondContact CD1-O 3.31Å; S793-N801 CarbonylContact C-O 3.56Å; S793-N801 WeakPolarHBondContact CA-O 3.25Å; S793-N801 WeakPolarHBondContact CB-O 3.41Å; S793-A877 CarbonylContact O-C 3.48Å; S793-A877 VanDerWaalsContact O-CA 3.22Å; S793-A877 WeakPolarHBondContact O-CA 3.48Å; S793-N878 PolarHBondContact N-O 2.83Å; S793-N878 VanDerWaalsContact N-O 3.15Å; S793-N878 PolarHBondContact O-N 3.36Å; S793-N878 PolarHBondContact OG-ND2 3.26Å
794	T	74.2	Confident	69.2	Low	10 Å²	10	29.7 Å²	29.7	6%	0.061	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	146.1	175.9	-133	0	0	0	0	112.3	L791 N801 P804 Y875 M876 A877	L791-T794 HydrophobicContact CD2-CG2 4.35Å; T794-N801 PolarHBondContact N-O 3.22Å; T794-N801 WeakPolarHBondContact O-CB 3.35Å; T794-N801 PolarHBondContact O-N 3.28Å; T794-P804 HydrophobicContact CG2-CB 3.7Å; T794-P804 HydrophobicContact CG2-CG 3.53Å; T794-Y875 WeakPolarHBondContact CB-OH 3.08Å; T794-Y875 WeakPolarHBondContact CG2-OH 3.43Å; T794-Y875 WeakPolarHBondContact OG1-CE1 3.28Å; T794-Y875 VanDerWaalsContact OG1-CZ 3.22Å; T794-Y875 PolarHBondContact OG1-OH 2.77Å; T794-M876 WeakPolarHBondContact CA-O 3.44Å; T794-M876 PolarHBondContact OG1-O 2.84Å; T794-A877 VanDerWaalsContact OG1-CB 3.27Å; T794-A877 WeakPolarHBondContact OG1-CB 3.28Å
795	G	72.1	Confident	67.4	Low	9 Å²	9	33.7 Å²	33.7	9%	0.093	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.7	-156.2	176	0	0	0	0	0	113.6	Y875 M876	G795-Y875 CarbonylContact O-C 3.58Å; G795-Y875 WeakPolarHBondContact O-CA 3.19Å; G795-M876 PolarHBondContact N-O 2.73Å; G795-M876 PolarHBondContact O-N 2.86Å
796	N	66.7	Low	65.8	Low	38 Å²	38	34.3 Å²	34.3	20%	0.203	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	143.7	167.1	178	-51	0	0	0	108.6	I798 S799 L800 M864	N796-I798 PolarHBondContact O-N 3.44Å; N796-I798 WeakPolarHBondContact OD1-CB 3.4Å; N796-I798 WeakPolarHBondContact OD1-CG1 3.06Å; N796-I798 PolarHBondContact OD1-N 2.75Å; N796-S799 CarbonylContact O-C 3.55Å; N796-S799 PolarHBondContact O-N 2.78Å; N796-L800 PolarHBondContact O-N 3.34Å; N796-M864 HydrophobicContact CB-CE 4.02Å
797	P	58.6	Low	64.1	Low	42 Å²	42	38 Å²	38	27%	0.273	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.9	-35.8	173	-26.9	28.6	0	0	0	115.6	I873 M876	P797-I873 HydrophobicContact CG-CB 3.75Å; P797-I873 HydrophobicContact CG-CG2 3.57Å; P797-M876 HydrophobicContact CB-SD 3.79Å; P797-M876 HydrophobicContact CG-CG 4.03Å; P797-M876 HydrophobicContact CG-SD 3.74Å
798	I	56.5	Low	62.1	Low	122 Å²	122	45.2 Å²	45.2	63%	0.626	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-24.8	-177.5	-55.4	166.9	0	0	0	111.6	N796	N796-I798 PolarHBondContact O-N 3.44Å; N796-I798 WeakPolarHBondContact OD1-CB 3.4Å; N796-I798 WeakPolarHBondContact OD1-CG1 3.06Å; N796-I798 PolarHBondContact OD1-N 2.75Å
799	S	54.9	Low	60.2	Low	78 Å²	78	53 Å²	53	55%	0.545	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	73.3	-176.9	71.7	0	0	0	0	110.5	N796	N796-S799 CarbonylContact O-C 3.55Å; N796-S799 PolarHBondContact O-N 2.78Å
800	L	50.7	Low	58.7	Low	56 Å²	56	60 Å²	60	29%	0.293	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	126.3	175	-67.7	172.7	0	0	0	110.1	N796 M876	N796-L800 PolarHBondContact O-N 3.34Å; L800-M876 HydrophobicContact CD2-CB 4.03Å
801	N	56.3	Low	58	Low	92 Å²	92	60 Å²	60	49%	0.492	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	128.8	165	-64.8	-36.8	0	0	0	107.9	S793 T794 P804	S793-N801 CarbonylContact C-O 3.56Å; S793-N801 WeakPolarHBondContact CA-O 3.25Å; S793-N801 WeakPolarHBondContact CB-O 3.41Å; T794-N801 PolarHBondContact N-O 3.22Å; T794-N801 WeakPolarHBondContact O-CB 3.35Å; T794-N801 PolarHBondContact O-N 3.28Å; N801-P804 HydrophobicContact CB-CB 4.25Å; N801-P804 WeakPolarHBondContact O-CD 3.43Å
802	I	45.4	Very low	58	Low	37 Å²	37	60.1 Å²	60.1	19%	0.19	30%	0.301	C	S	.	.	S	Bend	trans	-92.5	4.1	-167.3	-52.2	167.8	0	0	0	113	V338 I792 Y935	V338-I802 HydrophobicContact CG2-CB 4.07Å; I792-I802 CarbonylContact O-C 3.48Å; I802-Y935 HydrophobicContact CB-CE1 4.26Å; I802-Y935 HydrophobicContact CD1-CD1 3.52Å; I802-Y935 HydrophobicContact CD1-CE1 3.63Å; I802-Y935 HydrophobicContact CD1-CG 4.47Å; I802-Y935 HydrophobicContact CG1-CD1 4.06Å; I802-Y935 HydrophobicContact CG1-CE1 3.72Å; I802-Y935 HydrophobicContact CG2-CD1 4.45Å; I802-Y935 HydrophobicContact CG2-CE1 3.48Å; I802-Y935 VanDerWaalsContact CG2-CE1 3.48Å; I802-Y935 WeakPolarHBondContact CG2-OH 3.16Å
803	R	53.1	Low	58.6	Low	37 Å²	37	63.5 Å²	63.5	14%	0.14	31%	0.312	C	S	.	.	S	Bend	trans	-169.8	71.1	161.8	-109.3	160.8	-178.8	-85	2.6	108.9	L352 K805	L352-R803 PolarHBondContact O-NH2 3.06Å; R803-K805 PolarHBondContact O-N 2.89Å
804	P	51	Low	59.4	Low	22 Å²	22	63.9 Å²	63.9	14%	0.143	31%	0.314	C	S	.	.			trans	-60.6	134.1	177.5	30.5	-37.8	0	0	0	109.2	L791 T794 N801	L791-P804 HydrophobicContact CD2-CB 4.43Å; L791-P804 HydrophobicContact CD2-CG 3.51Å; L791-P804 HydrophobicContact CG-CG 3.64Å; T794-P804 HydrophobicContact CG2-CB 3.7Å; T794-P804 HydrophobicContact CG2-CG 3.53Å; N801-P804 HydrophobicContact CB-CB 4.25Å; N801-P804 WeakPolarHBondContact O-CD 3.43Å
805	K	48.2	Very low	60.1	Low	85 Å²	85	65.9 Å²	65.9	37%	0.37	32%	0.324	S	S	.	.			trans	-60.9	146.5	168.3	-52.3	-175.9	-164.8	154.8	0	108.7	R803 Y807	R803-K805 PolarHBondContact O-N 2.89Å; K805-Y807 HydrophobicContact CB-CD2 3.8Å; K805-Y807 HydrophobicContact CB-CE1 4.5Å; K805-Y807 HydrophobicContact CB-CE2 3.74Å; K805-Y807 HydrophobicContact CB-CG 4.23Å; K805-Y807 HydrophobicContact CD-CE1 4.1Å; K805-Y807 HydrophobicContact CD-CE2 4.09Å; K805-Y807 HydrophobicContact CG-CE2 4.05Å; K805-Y807 PolarHBondContact NZ-OH 3.44Å; K805-Y807 VanDerWaalsContact NZ-OH 3.09Å; K805-Y807 PolarHBondContact O-N 3.46Å
806	L	50.4	Low	60.9	Low	41 Å²	41	67.8 Å²	67.8	22%	0.215	33%	0.329	C	S	.	.			trans	-64.3	70	161.2	-82.3	156.3	0	0	0	109.9	E808 R813	L806-E808 PolarHBondContact O-N 3.34Å; L806-R813 HydrophobicContact CD2-CB 4.32Å
807	Y	48.2	Very low	62	Low	94 Å²	94	67 Å²	67	37%	0.369	33%	0.326	S	S	.	.			trans	-74.6	90	170.1	-71.2	-72.5	0	0	0	108.2	K805 E809 Y810 G811	K805-Y807 HydrophobicContact CB-CD2 3.8Å; K805-Y807 HydrophobicContact CB-CE1 4.5Å; K805-Y807 HydrophobicContact CB-CE2 3.74Å; K805-Y807 HydrophobicContact CB-CG 4.23Å; K805-Y807 HydrophobicContact CD-CE1 4.1Å; K805-Y807 HydrophobicContact CD-CE2 4.09Å; K805-Y807 HydrophobicContact CG-CE2 4.05Å; K805-Y807 PolarHBondContact NZ-OH 3.44Å; K805-Y807 VanDerWaalsContact NZ-OH 3.09Å; K805-Y807 PolarHBondContact O-N 3.46Å; Y807-E809 PolarHBondContact O-N 3.16Å; Y807-Y810 HydrophobicContact CD1-CD2 4.39Å; Y807-Y810 HydrophobicContact CD1-CE2 4.34Å; Y807-Y810 AromaticContact CD2-CD2 3.82Å; Y807-Y810 HydrophobicContact CD2-CD2 3.82Å; Y807-Y810 HydrophobicContact CD2-CE2 4.03Å; Y807-Y810 HydrophobicContact CE2-CE2 4.38Å; Y807-Y810 AromaticContact CG-CD2 3.71Å; Y807-Y810 HydrophobicContact CG-CD2 3.71Å; Y807-Y810 HydrophobicContact CG-CE2 4.01Å; Y807-Y810 PolarHBondContact O-N 2.9Å; Y807-G811 PolarHBondContact O-N 3.22Å
808	E	50.6	Low	63.4	Low	153 Å²	153	67.9 Å²	67.9	72%	0.715	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-30.4	165.3	-63.7	-169	140.7	0	0	111.6	L806 Y810 G811	L806-E808 PolarHBondContact O-N 3.34Å; E808-Y810 PolarHBondContact O-N 2.84Å; E808-G811 WeakPolarHBondContact O-CA 3.47Å; E808-G811 PolarHBondContact O-N 3.5Å
809	E	46.5	Very low	64.7	Low	171 Å²	171	68.3 Å²	68.3	80%	0.799	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-37.5	176.5	-157.4	166.8	-148.7	0	0	113.6	Y807	Y807-E809 PolarHBondContact O-N 3.16Å
810	Y	57.4	Low	66.3	Low	146 Å²	146	68 Å²	68	57%	0.573	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-9.6	171.2	-64.9	-60.6	0	0	0	113	Y807 E808 P858 K859	Y807-Y810 HydrophobicContact CD1-CD2 4.39Å; Y807-Y810 HydrophobicContact CD1-CE2 4.34Å; Y807-Y810 AromaticContact CD2-CD2 3.82Å; Y807-Y810 HydrophobicContact CD2-CD2 3.82Å; Y807-Y810 HydrophobicContact CD2-CE2 4.03Å; Y807-Y810 HydrophobicContact CE2-CE2 4.38Å; Y807-Y810 AromaticContact CG-CD2 3.71Å; Y807-Y810 HydrophobicContact CG-CD2 3.71Å; Y807-Y810 HydrophobicContact CG-CE2 4.01Å; Y807-Y810 PolarHBondContact O-N 2.9Å; E808-Y810 PolarHBondContact O-N 2.84Å; Y810-P858 WeakPolarHBondContact O-CA 3.39Å; Y810-K859 PolarHBondContact O-N 3.02Å
811	G	64.8	Low	68	Low	5 Å²	5	65.3 Å²	65.3	5%	0.052	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	0.3	174.4	0	0	0	0	0	115.7	Y807 E808	Y807-G811 PolarHBondContact O-N 3.22Å; E808-G811 WeakPolarHBondContact O-CA 3.47Å; E808-G811 PolarHBondContact O-N 3.5Å
812	A	76.2	Confident	69.2	Low	10 Å²	10	66.2 Å²	66.2	8%	0.083	31%	0.311	C	S	.	.			trans	-77.9	121.2	172.8	0	0	0	0	0	110.2	W856 P858	A812-W856 CarbonylContact C-O 3.58Å; A812-W856 WeakPolarHBondContact CA-O 3.08Å; A812-P858 HydrophobicContact CB-CG 3.96Å
813	R	79.9	Confident	70.9	Confident	83 Å²	83	69 Å²	69	31%	0.313	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	159.7	-179.9	66.8	179.5	-159.6	-81.9	-16.1	113.3	L806 D815 F855 W856	L806-R813 HydrophobicContact CD2-CB 4.32Å; R813-D815 WeakPolarHBondContact CD-OD1 3.48Å; R813-D815 IonicContact CZ-OD1 3.51Å; R813-D815 IonicContact CZ-OD2 2.63Å; R813-D815 IonicContact NE-OD1 2.65Å; R813-D815 PolarHBondContact NE-OD1 3.34Å; R813-D815 IonicContact NE-OD2 3.56Å; R813-D815 IonicContact NH2-OD1 3.87Å; R813-D815 PolarHBondContact NH2-OD1 3.13Å; R813-D815 IonicContact NH2-OD2 2.79Å; R813-D815 PolarHBondContact NH2-OD2 2.9Å; R813-F855 WeakPolarHBondContact O-CD2 3.27Å; R813-W856 HydrophobicContact CG-CB 3.99Å; R813-W856 HydrophobicContact CG-CG 4.39Å; R813-W856 PolarHBondContact N-O 3.26Å; R813-W856 VanDerWaalsContact NH2-NE1 3.19Å; R813-W856 PolarHBondContact O-N 2.96Å
814	I	86.4	Confident	72.5	Confident	10 Å²	10	68.7 Å²	68.7	5%	0.051	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	114.6	169.8	-60.3	171	0	0	0	107.3	L756 V789 I835 F853 R854 F855 I879	L756-I814 HydrophobicContact CD1-CG2 3.9Å; V789-I814 HydrophobicContact CG1-CD1 4.15Å; V789-I814 HydrophobicContact CG1-CG2 4.49Å; I814-I835 HydrophobicContact CB-CD1 3.63Å; I814-I835 HydrophobicContact CG2-CD1 3.48Å; I814-I835 VanDerWaalsContact CG2-CD1 3.48Å; I814-F853 HydrophobicContact CG2-CD1 3.74Å; I814-F853 HydrophobicContact CG2-CE1 4.39Å; I814-R854 CarbonylContact C-O 3.57Å; I814-R854 WeakPolarHBondContact CA-O 3.32Å; I814-F855 HydrophobicContact CG1-CD2 4Å; I814-I879 HydrophobicContact CD1-CD1 4.49Å; I814-I879 HydrophobicContact CD1-CG2 4.38Å
815	D	87.9	Confident	74	Confident	52 Å²	52	74.2 Å²	74.2	28%	0.278	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.1	172.9	-78	0.5	0	0	0	109	R813 F853 R854 W856	R813-D815 WeakPolarHBondContact CD-OD1 3.48Å; R813-D815 IonicContact CZ-OD1 3.51Å; R813-D815 IonicContact CZ-OD2 2.63Å; R813-D815 IonicContact NE-OD1 2.65Å; R813-D815 PolarHBondContact NE-OD1 3.34Å; R813-D815 IonicContact NE-OD2 3.56Å; R813-D815 IonicContact NH2-OD1 3.87Å; R813-D815 PolarHBondContact NH2-OD1 3.13Å; R813-D815 IonicContact NH2-OD2 2.79Å; R813-D815 PolarHBondContact NH2-OD2 2.9Å; D815-F853 WeakPolarHBondContact O-CA 3.25Å; D815-R854 HydrophobicContact CB-CB 4.25Å; D815-R854 PolarHBondContact N-O 3.37Å; D815-R854 PolarHBondContact O-N 2.89Å; D815-W856 PolarHBondContact OD2-NE1 3.17Å
816	W	90.2	Very high	75.5	Confident	49 Å²	49	70.4 Å²	70.4	19%	0.186	35%	0.345	C	S	.	.			trans	-142.1	154.5	-175.9	63	-79.1	0	0	0	111	V818 T821 A830 I835 L837 F853	W816-V818 HydrophobicContact CD2-CG2 4.06Å; W816-V818 HydrophobicContact CE3-CG2 4.15Å; W816-V818 HydrophobicContact CH2-CB 4.35Å; W816-V818 HydrophobicContact CH2-CG1 4.21Å; W816-V818 HydrophobicContact CH2-CG2 3.87Å; W816-V818 HydrophobicContact CZ2-CG2 3.8Å; W816-V818 HydrophobicContact CZ3-CB 4.33Å; W816-V818 HydrophobicContact CZ3-CG2 4.05Å; W816-V818 PolarHBondContact O-N 3.3Å; W816-T821 HydrophobicContact CZ3-CG2 4.12Å; W816-A830 HydrophobicContact CZ2-CB 4.13Å; W816-I835 HydrophobicContact CB-CD1 4.31Å; W816-I835 HydrophobicContact CD2-CG2 3.81Å; W816-I835 HydrophobicContact CE3-CG2 4.29Å; W816-I835 HydrophobicContact CG-CD1 3.93Å; W816-I835 HydrophobicContact CG-CG1 4.44Å; W816-I835 HydrophobicContact CG-CG2 3.96Å; W816-I835 HydrophobicContact CZ2-CG2 4.48Å; W816-L837 HydrophobicContact CE3-CD2 3.93Å; W816-L837 HydrophobicContact CZ3-CD2 4Å; W816-F853 HydrophobicContact CB-CD1 3.95Å; W816-F853 HydrophobicContact CB-CD2 4.02Å; W816-F853 HydrophobicContact CB-CE1 3.66Å; W816-F853 HydrophobicContact CB-CE2 3.75Å; W816-F853 HydrophobicContact CB-CG 4.13Å; W816-F853 HydrophobicContact CB-CZ 3.56Å; W816-F853 HydrophobicContact CG-CE1 4.44Å; W816-F853 HydrophobicContact CG-CZ 4.34Å
817	P	90	Very high	76.9	Confident	22 Å²	22	73.1 Å²	73.1	14%	0.143	36%	0.359	C	S	.	.			trans	-82.6	82	-169.2	34.6	-38.3	0	0	0	112.4	D819 E820 T821 L849 K852	P817-D819 PolarHBondContact O-N 3.38Å; P817-E820 HydrophobicContact CB-CB 4.11Å; P817-E820 HydrophobicContact CB-CG 4.2Å; P817-E820 WeakPolarHBondContact CB-OE2 3.48Å; P817-E820 PolarHBondContact O-N 2.83Å; P817-T821 WeakPolarHBondContact O-CB 3.5Å; P817-T821 PolarHBondContact O-N 2.85Å; P817-T821 PolarHBondContact O-OG1 2.91Å; P817-L849 HydrophobicContact CG-CB 4.48Å; P817-L849 HydrophobicContact CG-CD2 3.91Å; P817-K852 HydrophobicContact CG-CB 4.11Å
818	V	86.5	Confident	78.3	Confident	61 Å²	61	69.8 Å²	69.8	37%	0.37	35%	0.353	S	S	.	.	H	α-helix	trans	-55.6	-53.3	-177.8	-173.9	0	0	0	0	112.6	W816 E820 T821 Q822	W816-V818 HydrophobicContact CD2-CG2 4.06Å; W816-V818 HydrophobicContact CE3-CG2 4.15Å; W816-V818 HydrophobicContact CH2-CB 4.35Å; W816-V818 HydrophobicContact CH2-CG1 4.21Å; W816-V818 HydrophobicContact CH2-CG2 3.87Å; W816-V818 HydrophobicContact CZ2-CG2 3.8Å; W816-V818 HydrophobicContact CZ3-CB 4.33Å; W816-V818 HydrophobicContact CZ3-CG2 4.05Å; W816-V818 PolarHBondContact O-N 3.3Å; V818-E820 VanDerWaalsContact C-N 3.3Å; V818-E820 PolarHBondContact O-N 3.21Å; V818-T821 WeakPolarHBondContact O-CB 3.41Å; V818-T821 PolarHBondContact O-N 3.02Å; V818-Q822 PolarHBondContact O-N 3.45Å
819	D	85.1	Confident	79.3	Confident	131 Å²	131	64.4 Å²	64.4	70%	0.701	33%	0.329	S	S	*	.	H	α-helix	trans	-61.6	-37.6	-176.6	-59.9	-30.9	0	0	0	112.4	P817 S823	P817-D819 PolarHBondContact O-N 3.38Å; D819-S823 WeakPolarHBondContact O-CB 3.42Å; D819-S823 PolarHBondContact O-N 3.38Å
820	E	87.7	Confident	80.6	Confident	71 Å²	71	59.3 Å²	59.3	33%	0.332	32%	0.316	S	S	.	.	H	α-helix	trans	-77.5	-29.4	179.7	-53.8	-177.4	143	0	0	112.4	P817 V818 S823 S824 L849 K852	P817-E820 HydrophobicContact CB-CB 4.11Å; P817-E820 HydrophobicContact CB-CG 4.2Å; P817-E820 WeakPolarHBondContact CB-OE2 3.48Å; P817-E820 PolarHBondContact O-N 2.83Å; V818-E820 VanDerWaalsContact C-N 3.3Å; V818-E820 PolarHBondContact O-N 3.21Å; E820-S823 WeakPolarHBondContact CA-OG 3.47Å; E820-S823 PolarHBondContact O-N 2.75Å; E820-S823 PolarHBondContact O-OG 3.12Å; E820-S823 VanDerWaalsContact O-OG 3.07Å; E820-S824 VanDerWaalsContact O-CB 3.27Å; E820-S824 WeakPolarHBondContact O-CB 3.32Å; E820-S824 PolarHBondContact O-N 3.04Å; E820-S824 PolarHBondContact O-OG 3.3Å; E820-L849 HydrophobicContact CB-CD2 3.78Å; E820-K852 IonicContact OE1-NZ 3.76Å; E820-K852 PolarHBondContact OE1-NZ 3.1Å; E820-K852 WeakPolarHBondContact OE2-CD 3.25Å; E820-K852 WeakPolarHBondContact OE2-CE 3.42Å; E820-K852 IonicContact OE2-NZ 3.95Å; E820-K852 PolarHBondContact OE2-NZ 3.22Å
821	T	85.5	Confident	80.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.8	-47.9	171.3	-57	0	0	0	0	109.4	W816 P817 V818 S824 Q825 L826 L837	W816-T821 HydrophobicContact CZ3-CG2 4.12Å; P817-T821 WeakPolarHBondContact O-CB 3.5Å; P817-T821 PolarHBondContact O-N 2.85Å; P817-T821 PolarHBondContact O-OG1 2.91Å; V818-T821 WeakPolarHBondContact O-CB 3.41Å; V818-T821 PolarHBondContact O-N 3.02Å; T821-S824 WeakPolarHBondContact O-CB 3.37Å; T821-S824 PolarHBondContact O-N 3.32Å; T821-Q825 PolarHBondContact O-N 2.84Å; T821-L826 CarbonylContact C-O 3.44Å; T821-L826 HydrophobicContact CG2-CB 3.64Å; T821-L826 PolarHBondContact O-N 3.02Å; T821-L837 HydrophobicContact CG2-CD2 3.76Å
822	Q	82.2	Confident	80.2	Confident	111 Å²	111	65.5 Å²	65.5	52%	0.519	34%	0.343	S	S	.	.	H	α-helix	trans	-62.5	-43.9	175.4	-67	-177.8	5.5	0	0	112.1	V818 S824 Q825	V818-Q822 PolarHBondContact O-N 3.45Å; Q822-S824 VanDerWaalsContact C-N 3.26Å; Q822-S824 PolarHBondContact O-N 3.23Å; Q822-Q825 WeakPolarHBondContact O-CA 3.47Å; Q822-Q825 PolarHBondContact O-N 3.15Å
823	S	82.2	Confident	79.1	Confident	95 Å²	95	66.7 Å²	66.7	66%	0.664	35%	0.349	S	S	*	.	H	α-helix	trans	-65.8	-28.8	177.7	79.1	0	0	0	0	113.2	D819 E820 Q825	D819-S823 WeakPolarHBondContact O-CB 3.42Å; D819-S823 PolarHBondContact O-N 3.38Å; E820-S823 WeakPolarHBondContact CA-OG 3.47Å; E820-S823 PolarHBondContact O-N 2.75Å; E820-S823 PolarHBondContact O-OG 3.12Å; E820-S823 VanDerWaalsContact O-OG 3.07Å; S823-Q825 PolarHBondContact O-N 3.4Å
824	S	85.3	Confident	78.9	Confident	31 Å²	31	62.8 Å²	62.8	22%	0.217	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-2.5	171.8	-58.5	0	0	0	0	113.7	E820 T821 Q822 L826 K841	E820-S824 VanDerWaalsContact O-CB 3.27Å; E820-S824 WeakPolarHBondContact O-CB 3.32Å; E820-S824 PolarHBondContact O-N 3.04Å; E820-S824 PolarHBondContact O-OG 3.3Å; T821-S824 WeakPolarHBondContact O-CB 3.37Å; T821-S824 PolarHBondContact O-N 3.32Å; Q822-S824 VanDerWaalsContact C-N 3.26Å; Q822-S824 PolarHBondContact O-N 3.23Å; S824-L826 VanDerWaalsContact C-N 3.28Å; S824-K841 WeakPolarHBondContact O-CE 3.46Å; S824-K841 PolarHBondContact O-NZ 3.38Å
825	Q	82.2	Confident	78.8	Confident	137 Å²	137	62.5 Å²	62.5	64%	0.64	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	36.9	-172.6	-48.3	167.8	-28.9	0	0	112.5	T821 Q822 S823	T821-Q825 PolarHBondContact O-N 2.84Å; Q822-Q825 WeakPolarHBondContact O-CA 3.47Å; Q822-Q825 PolarHBondContact O-N 3.15Å; S823-Q825 PolarHBondContact O-N 3.4Å
826	L	80.7	Confident	78.5	Confident	6 Å²	6	62 Å²	62	3%	0.031	33%	0.329	C	S	.	.			trans	-104.4	150.5	168.9	-69.8	173.7	0	0	0	109.3	T821 S824 G839 K841 I845 Y846 L849	T821-L826 CarbonylContact C-O 3.44Å; T821-L826 HydrophobicContact CG2-CB 3.64Å; T821-L826 PolarHBondContact O-N 3.02Å; S824-L826 VanDerWaalsContact C-N 3.28Å; L826-G839 WeakPolarHBondContact CD2-O 3.29Å; L826-K841 HydrophobicContact CD2-CB 4.19Å; L826-K841 HydrophobicContact CD2-CG 3.5Å; L826-K841 HydrophobicContact CG-CG 4.02Å; L826-I845 HydrophobicContact CD1-CG2 4.25Å; L826-Y846 HydrophobicContact CD1-CD1 4.48Å; L826-Y846 HydrophobicContact CD1-CE1 4.14Å; L826-Y846 HydrophobicContact CD1-CE2 4.47Å; L826-Y846 HydrophobicContact CD2-CE1 4.49Å; L826-Y846 HydrophobicContact CD2-CE2 4.27Å; L826-Y846 WeakPolarHBondContact CD2-OH 3.44Å; L826-L849 HydrophobicContact CD1-CD1 3.55Å
827	I	79	Confident	78.4	Confident	98 Å²	98	59.7 Å²	59.7	50%	0.503	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	120	171.7	-58.4	174.2	0	0	0	106.5	L829 R838	I827-L829 HydrophobicContact CG2-CD2 3.68Å; I827-L829 HydrophobicContact CG2-CG 4.09Å; I827-R838 PolarHBondContact N-O 2.9Å; I827-R838 PolarHBondContact O-N 2.94Å
828	G	78.5	Confident	77.9	Confident	24 Å²	24	63.6 Å²	63.6	25%	0.247	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.7	172.9	0	0	0	0	0	110.3	Q836	G828-Q836 CarbonylContact C-O 3.57Å; G828-Q836 WeakPolarHBondContact CA-O 3.5Å
829	L	70.7	Confident	77.5	Confident	40 Å²	40	61.7 Å²	61.7	21%	0.209	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.6	176.1	-54.7	-179.3	0	0	0	108.2	D687 I827 I835 Q836	D687-L829 VanDerWaalsContact OD1-CD2 3.25Å; D687-L829 WeakPolarHBondContact OD1-CD2 3.37Å; I827-L829 HydrophobicContact CG2-CD2 3.68Å; I827-L829 HydrophobicContact CG2-CG 4.09Å; L829-I835 CarbonylContact O-C 3.57Å; L829-I835 WeakPolarHBondContact O-CA 3.17Å; L829-Q836 HydrophobicContact CB-CB 4.35Å; L829-Q836 PolarHBondContact N-O 3.37Å; L829-Q836 PolarHBondContact O-N 2.77Å
830	A	73.7	Confident	77.4	Confident	63 Å²	63	62.6 Å²	62.6	52%	0.521	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.8	174.3	0	0	0	0	0	108.7	W816 G834 I835	W816-A830 HydrophobicContact CZ2-CB 4.13Å; A830-G834 WeakPolarHBondContact CA-O 3.07Å; A830-I835 HydrophobicContact CB-CG1 4.08Å
831	D	58.4	Low	77.5	Confident	82 Å²	82	61.2 Å²	61.2	44%	0.439	31%	0.311	S	S	.	.			trans	-132.3	-160.5	-175.5	85.2	-41.7	0	0	0	110.6	T833 G834	D831-T833 VanDerWaalsContact C-N 3.34Å; D831-T833 VanDerWaalsContact CG-OG1 3.23Å; D831-T833 WeakPolarHBondContact OD1-CA 3.33Å; D831-T833 PolarHBondContact OD1-N 3.2Å; D831-T833 PolarHBondContact OD1-OG1 2.72Å; D831-T833 WeakPolarHBondContact OD2-CB 3.27Å; D831-T833 WeakPolarHBondContact OD2-CG2 3.46Å; D831-T833 PolarHBondContact OD2-N 3.15Å; D831-T833 PolarHBondContact OD2-OG1 3.28Å; D831-G834 PolarHBondContact N-O 3.01Å; D831-G834 PolarHBondContact OD1-N 3.47Å
832	R	55.8	Low	77.8	Confident	200 Å²	200	63.8 Å²	63.8	76%	0.755	33%	0.328	S	S	*	.	S	Bend	trans	-78.4	-19.5	175.9	-67.8	-179.4	178.1	171.4	1.9	113.2
833	T	54.3	Low	78.3	Confident	35 Å²	35	58.5 Å²	58.5	22%	0.215	30%	0.303	C	S	.	.	S	Bend	trans	-93.1	-27.6	-176.4	69.5	0	0	0	0	112.7	W790 D831	W790-T833 WeakPolarHBondContact CB-O 3.41Å; D831-T833 VanDerWaalsContact C-N 3.34Å; D831-T833 VanDerWaalsContact CG-OG1 3.23Å; D831-T833 WeakPolarHBondContact OD1-CA 3.33Å; D831-T833 PolarHBondContact OD1-N 3.2Å; D831-T833 PolarHBondContact OD1-OG1 2.72Å; D831-T833 WeakPolarHBondContact OD2-CB 3.27Å; D831-T833 WeakPolarHBondContact OD2-CG2 3.46Å; D831-T833 PolarHBondContact OD2-N 3.15Å; D831-T833 PolarHBondContact OD2-OG1 3.28Å
834	G	74	Confident	78.8	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.295	C	S	.	.			trans	167.6	-148.2	176.7	0	0	0	0	0	114.1	V789 A830 D831	V789-G834 CarbonylContact O-C 3.6Å; V789-G834 VanDerWaalsContact O-CA 3.29Å; V789-G834 WeakPolarHBondContact O-CA 3.16Å; A830-G834 WeakPolarHBondContact CA-O 3.07Å; D831-G834 PolarHBondContact N-O 3.01Å; D831-G834 PolarHBondContact OD1-N 3.47Å
835	I	85.1	Confident	79.2	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	117.1	178.6	-62.5	152.4	0	0	0	108.3	F788 V789 I814 W816 L829 A830 L837 F853	F788-I835 WeakPolarHBondContact CA-O 3.48Å; V789-I835 PolarHBondContact N-O 2.8Å; V789-I835 PolarHBondContact O-N 3.22Å; I814-I835 HydrophobicContact CB-CD1 3.63Å; I814-I835 HydrophobicContact CG2-CD1 3.48Å; I814-I835 VanDerWaalsContact CG2-CD1 3.48Å; W816-I835 HydrophobicContact CB-CD1 4.31Å; W816-I835 HydrophobicContact CD2-CG2 3.81Å; W816-I835 HydrophobicContact CE3-CG2 4.29Å; W816-I835 HydrophobicContact CG-CD1 3.93Å; W816-I835 HydrophobicContact CG-CG1 4.44Å; W816-I835 HydrophobicContact CG-CG2 3.96Å; W816-I835 HydrophobicContact CZ2-CG2 4.48Å; L829-I835 CarbonylContact O-C 3.57Å; L829-I835 WeakPolarHBondContact O-CA 3.17Å; A830-I835 HydrophobicContact CB-CG1 4.08Å; I835-L837 HydrophobicContact CG2-CD2 4.43Å; I835-F853 HydrophobicContact CB-CE1 4.24Å; I835-F853 HydrophobicContact CD1-CE1 4.03Å; I835-F853 HydrophobicContact CG2-CE1 3.97Å; I835-F853 HydrophobicContact CG2-CZ 4.02Å
836	Q	81.5	Confident	79.8	Confident	42 Å²	42	52.7 Å²	52.7	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.3	174.5	-159.1	173.2	8.7	0	0	110.3	D786 C787 F788 G828 L829	D786-Q836 HydrophobicContact CB-CG 4.37Å; D786-Q836 PolarHBondContact OD2-NE2 2.67Å; C787-Q836 CarbonylContact O-C 3.57Å; C787-Q836 WeakPolarHBondContact O-CA 3.25Å; F788-Q836 HydrophobicContact CD2-CB 3.66Å; F788-Q836 HydrophobicContact CD2-CG 3.97Å; F788-Q836 HydrophobicContact CE2-CB 4.17Å; G828-Q836 CarbonylContact C-O 3.57Å; G828-Q836 WeakPolarHBondContact CA-O 3.5Å; L829-Q836 HydrophobicContact CB-CB 4.35Å; L829-Q836 PolarHBondContact N-O 3.37Å; L829-Q836 PolarHBondContact O-N 2.77Å
837	L	87.3	Confident	80.5	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	116.7	166.5	-58.1	-178.9	0	0	0	107.7	D786 C787 W816 T821 I835 Y846 L849 L850 F853	D786-L837 CarbonylContact C-O 3.57Å; D786-L837 WeakPolarHBondContact CA-O 3.38Å; D786-L837 WeakPolarHBondContact CB-O 3.42Å; C787-L837 PolarHBondContact N-O 2.57Å; C787-L837 PolarHBondContact O-N 3.19Å; W816-L837 HydrophobicContact CE3-CD2 3.93Å; W816-L837 HydrophobicContact CZ3-CD2 4Å; T821-L837 HydrophobicContact CG2-CD2 3.76Å; I835-L837 HydrophobicContact CG2-CD2 4.43Å; L837-Y846 HydrophobicContact CB-CD1 4.19Å; L837-Y846 HydrophobicContact CB-CE1 3.71Å; L837-Y846 HydrophobicContact CD1-CD1 4.38Å; L837-Y846 WeakPolarHBondContact O-CE1 3.39Å; L837-Y846 PolarHBondContact O-OH 2.85Å; L837-L849 HydrophobicContact CD1-CB 4.29Å; L837-L850 HydrophobicContact CD1-CD2 4.39Å; L837-F853 HydrophobicContact CD1-CE2 3.92Å; L837-F853 HydrophobicContact CD1-CZ 3.88Å; L837-F853 HydrophobicContact CD2-CZ 4.24Å; L837-F853 HydrophobicContact CG-CZ 4.15Å
838	R	80.5	Confident	81.2	Confident	103 Å²	103	51.5 Å²	51.5	39%	0.389	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.6	-170.2	-170.7	176.8	-174.4	-171.9	3.8	112.2	D786 I827	D786-R838 HydrophobicContact CB-CB 4.24Å; D786-R838 HydrophobicContact CB-CG 4.25Å; I827-R838 PolarHBondContact N-O 2.9Å; I827-R838 PolarHBondContact O-N 2.94Å
839	G	77.8	Confident	82	Confident	22 Å²	22	50.5 Å²	50.5	23%	0.227	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	142.2	136.4	174.3	0	0	0	0	0	112	D785 L826 K841 Y846	D785-G839 CarbonylContact O-C 3.53Å; D785-G839 PolarHBondContact O-N 2.83Å; L826-G839 WeakPolarHBondContact CD2-O 3.29Å; G839-K841 PolarHBondContact O-N 2.96Å; G839-Y846 PolarHBondContact N-OH 3.4Å; G839-Y846 PolarHBondContact O-OH 2.98Å
840	R	83.9	Confident	83.2	Confident	150 Å²	150	48.6 Å²	48.6	57%	0.566	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	105.4	-171.1	-164.1	170.4	-177.1	173.1	3	112	P783 L784 D785	P783-R840 HydrophobicContact CB-CG 4.17Å; L784-R840 VanDerWaalsContact O-CA 3.27Å; L784-R840 WeakPolarHBondContact O-CA 3.46Å; D785-R840 WeakPolarHBondContact OD1-CD 3.45Å; D785-R840 WeakPolarHBondContact OD1-CG 3.22Å; D785-R840 IonicContact OD1-NE 3.08Å
841	K	89	Confident	84.2	Confident	41 Å²	41	48.7 Å²	48.7	18%	0.178	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	153.8	-175.1	-66.7	-66.9	178.1	162	0	111.1	P783 L784 S824 L826 G839 I845 Y846	P783-K841 WeakPolarHBondContact CA-O 3.43Å; L784-K841 PolarHBondContact N-O 2.92Å; L784-K841 PolarHBondContact O-N 3.39Å; S824-K841 WeakPolarHBondContact O-CE 3.46Å; S824-K841 PolarHBondContact O-NZ 3.38Å; L826-K841 HydrophobicContact CD2-CB 4.19Å; L826-K841 HydrophobicContact CD2-CG 3.5Å; L826-K841 HydrophobicContact CG-CG 4.02Å; G839-K841 PolarHBondContact O-N 2.96Å; K841-I845 HydrophobicContact CB-CB 4.39Å; K841-I845 HydrophobicContact CB-CD1 4.32Å; K841-I845 HydrophobicContact CD-CD1 4.2Å; K841-Y846 HydrophobicContact CB-CD2 4.36Å; K841-Y846 HydrophobicContact CB-CE2 3.92Å
842	P	91.5	Very high	85.8	Confident	54 Å²	54	49.2 Å²	49.2	35%	0.351	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	143.7	174	-24.3	34.3	0	0	0	112.4	V782 L844 I845	V782-P842 CarbonylContact O-C 3.57Å; V782-P842 WeakPolarHBondContact O-CA 3.19Å; P842-L844 PolarHBondContact O-N 3.33Å; P842-L844 VanDerWaalsContact O-N 3.09Å; P842-I845 WeakPolarHBondContact O-CB 3.29Å; P842-I845 PolarHBondContact O-N 3.24Å
843	A	92.2	Very high	87.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-54.1	-30.6	-178.9	0	0	0	0	0	113.3	L735 F762 A779 A780 V782 L784 I845 Y846 A847	L735-A843 HydrophobicContact CD1-CB 4.42Å; F762-A843 HydrophobicContact CB-CB 4.12Å; F762-A843 HydrophobicContact CD1-CB 4.45Å; F762-A843 HydrophobicContact CD2-CB 3.6Å; F762-A843 WeakPolarHBondContact CD2-O 3.06Å; F762-A843 HydrophobicContact CE2-CB 4.1Å; F762-A843 VanDerWaalsContact CE2-O 3.28Å; F762-A843 WeakPolarHBondContact CE2-O 3.15Å; F762-A843 HydrophobicContact CG-CB 3.79Å; A779-A843 WeakPolarHBondContact O-CB 3.48Å; A780-A843 PolarHBondContact O-N 2.83Å; V782-A843 WeakPolarHBondContact O-CB 3.41Å; V782-A843 PolarHBondContact O-N 2.87Å; L784-A843 HydrophobicContact CD1-CB 3.84Å; L784-A843 HydrophobicContact CG-CB 4.02Å; A843-I845 VanDerWaalsContact C-N 3.3Å; A843-I845 PolarHBondContact O-N 2.86Å; A843-Y846 WeakPolarHBondContact O-CB 3.41Å; A843-Y846 PolarHBondContact O-N 2.82Å; A843-A847 PolarHBondContact O-N 2.98Å
844	L	93	Very high	89.5	Confident	92 Å²	92	40.9 Å²	40.9	48%	0.482	19%	0.193	S	C	.	.	H	α-helix	trans	-57.1	-38	172.6	-174.2	59.3	0	0	0	113.8	A780 P842 A847 N848	A780-L844 HydrophobicContact CB-CB 4.15Å; A780-L844 WeakPolarHBondContact O-CB 3.33Å; A780-L844 PolarHBondContact O-N 2.85Å; P842-L844 PolarHBondContact O-N 3.33Å; P842-L844 VanDerWaalsContact O-N 3.09Å; L844-A847 PolarHBondContact O-N 3.25Å; L844-N848 WeakPolarHBondContact O-CB 3.17Å; L844-N848 PolarHBondContact O-N 2.69Å; L844-N848 PolarHBondContact O-ND2 3.41Å
845	I	94	Very high	90.2	Very high	49 Å²	49	40.9 Å²	40.9	25%	0.251	19%	0.193	S	C	.	.	H	α-helix	trans	-68.4	-42.1	179.4	-60.1	-171.8	0	0	0	109.7	L826 K841 P842 A843 N848 L849	L826-I845 HydrophobicContact CD1-CG2 4.25Å; K841-I845 HydrophobicContact CB-CB 4.39Å; K841-I845 HydrophobicContact CB-CD1 4.32Å; K841-I845 HydrophobicContact CD-CD1 4.2Å; P842-I845 WeakPolarHBondContact O-CB 3.29Å; P842-I845 PolarHBondContact O-N 3.24Å; A843-I845 VanDerWaalsContact C-N 3.3Å; A843-I845 PolarHBondContact O-N 2.86Å; I845-N848 PolarHBondContact O-N 2.81Å; I845-L849 HydrophobicContact CG2-CD1 4.39Å; I845-L849 WeakPolarHBondContact O-CG 3.46Å; I845-L849 PolarHBondContact O-N 3.09Å
846	Y	95.2	Very high	90.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-47.3	173.7	-79.8	-82.1	0	0	0	111.9	L784 D785 D786 C787 L826 L837 G839 K841 A843 N848 L849 L850	L784-Y846 HydrophobicContact CB-CD2 3.78Å; L784-Y846 HydrophobicContact CB-CE2 3.7Å; L784-Y846 HydrophobicContact CD1-CD2 3.84Å; L784-Y846 HydrophobicContact CD1-CG 3.97Å; L784-Y846 HydrophobicContact CG-CD2 4.33Å; D785-Y846 PolarHBondContact O-OH 3.21Å; D786-Y846 WeakPolarHBondContact CA-OH 3.41Å; C787-Y846 HydrophobicContact CB-CD1 3.71Å; C787-Y846 HydrophobicContact CB-CE1 3.95Å; C787-Y846 WeakPolarHBondContact SG-CD1 3.45Å; L826-Y846 HydrophobicContact CD1-CD1 4.48Å; L826-Y846 HydrophobicContact CD1-CE1 4.14Å; L826-Y846 HydrophobicContact CD1-CE2 4.47Å; L826-Y846 HydrophobicContact CD2-CE1 4.49Å; L826-Y846 HydrophobicContact CD2-CE2 4.27Å; L826-Y846 WeakPolarHBondContact CD2-OH 3.44Å; L837-Y846 HydrophobicContact CB-CD1 4.19Å; L837-Y846 HydrophobicContact CB-CE1 3.71Å; L837-Y846 HydrophobicContact CD1-CD1 4.38Å; L837-Y846 WeakPolarHBondContact O-CE1 3.39Å; L837-Y846 PolarHBondContact O-OH 2.85Å; G839-Y846 PolarHBondContact N-OH 3.4Å; G839-Y846 PolarHBondContact O-OH 2.98Å; K841-Y846 HydrophobicContact CB-CD2 4.36Å; K841-Y846 HydrophobicContact CB-CE2 3.92Å; A843-Y846 WeakPolarHBondContact O-CB 3.41Å; A843-Y846 PolarHBondContact O-N 2.82Å; Y846-N848 PolarHBondContact O-N 3.2Å; Y846-L849 PolarHBondContact O-N 2.78Å; Y846-L850 WeakPolarHBondContact O-CB 3.33Å; Y846-L850 VanDerWaalsContact O-CG 3.23Å; Y846-L850 WeakPolarHBondContact O-CG 3.34Å; Y846-L850 PolarHBondContact O-N 2.91Å
847	A	94.1	Very high	90.4	Very high	5 Å²	5	41.2 Å²	41.2	4%	0.041	19%	0.193	C	C	.	.	H	α-helix	trans	-56.9	-46.9	177.3	0	0	0	0	0	112.2	L760 F762 A843 L844 L849 L850 Q851	L760-A847 HydrophobicContact CD2-CB 3.92Å; F762-A847 HydrophobicContact CD2-CB 4.05Å; F762-A847 HydrophobicContact CE2-CB 3.97Å; A843-A847 PolarHBondContact O-N 2.98Å; L844-A847 PolarHBondContact O-N 3.25Å; A847-L849 VanDerWaalsContact C-N 3.28Å; A847-L849 PolarHBondContact O-N 3.08Å; A847-L850 PolarHBondContact O-N 2.91Å; A847-Q851 WeakPolarHBondContact O-CB 3.4Å; A847-Q851 VanDerWaalsContact O-CG 3.24Å; A847-Q851 WeakPolarHBondContact O-CG 3.4Å; A847-Q851 PolarHBondContact O-N 3.38Å
848	N	94.2	Very high	89.9	Confident	74 Å²	74	42.4 Å²	42.4	40%	0.396	20%	0.201	S	C	.	.	H	α-helix	trans	-62.3	-30.9	179.3	-70.3	-19.9	0	0	0	113.7	L844 I845 Y846	L844-N848 WeakPolarHBondContact O-CB 3.17Å; L844-N848 PolarHBondContact O-N 2.69Å; L844-N848 PolarHBondContact O-ND2 3.41Å; I845-N848 PolarHBondContact O-N 2.81Å; Y846-N848 PolarHBondContact O-N 3.2Å
849	L	95.1	Very high	89.5	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-79.7	-45.6	174.5	-69.6	169.4	0	0	0	111.1	P817 E820 L826 L837 I845 Y846 A847 Q851 K852 F853	P817-L849 HydrophobicContact CG-CB 4.48Å; P817-L849 HydrophobicContact CG-CD2 3.91Å; E820-L849 HydrophobicContact CB-CD2 3.78Å; L826-L849 HydrophobicContact CD1-CD1 3.55Å; L837-L849 HydrophobicContact CD1-CB 4.29Å; I845-L849 HydrophobicContact CG2-CD1 4.39Å; I845-L849 WeakPolarHBondContact O-CG 3.46Å; I845-L849 PolarHBondContact O-N 3.09Å; Y846-L849 PolarHBondContact O-N 2.78Å; A847-L849 VanDerWaalsContact C-N 3.28Å; A847-L849 PolarHBondContact O-N 3.08Å; L849-Q851 VanDerWaalsContact C-N 3.34Å; L849-Q851 PolarHBondContact O-N 3.44Å; L849-K852 WeakPolarHBondContact O-CB 3.33Å; L849-K852 PolarHBondContact O-N 3.37Å; L849-F853 WeakPolarHBondContact O-CD2 3.08Å
850	L	95.5	Very high	89	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-41	179.7	-72.1	167.1	0	0	0	112.2	F757 L760 F762 V789 L837 Y846 A847 K852 F853 L881	F757-L850 HydrophobicContact CB-CB 4.39Å; F757-L850 HydrophobicContact CD2-CB 4.17Å; F757-L850 HydrophobicContact CD2-CD2 4.21Å; F757-L850 WeakPolarHBondContact CD2-O 3.28Å; F757-L850 HydrophobicContact CE2-CD2 4.26Å; L760-L850 HydrophobicContact CD2-CB 4.43Å; L760-L850 HydrophobicContact CD2-CD1 4.17Å; F762-L850 HydrophobicContact CZ-CD1 4.41Å; V789-L850 HydrophobicContact CG2-CD2 3.58Å; L837-L850 HydrophobicContact CD1-CD2 4.39Å; Y846-L850 WeakPolarHBondContact O-CB 3.33Å; Y846-L850 VanDerWaalsContact O-CG 3.23Å; Y846-L850 WeakPolarHBondContact O-CG 3.34Å; Y846-L850 PolarHBondContact O-N 2.91Å; A847-L850 PolarHBondContact O-N 2.91Å; L850-K852 PolarHBondContact O-N 3.43Å; L850-F853 HydrophobicContact CD2-CD2 4.36Å; L850-F853 HydrophobicContact CD2-CE2 4.12Å; L850-F853 HydrophobicContact CD2-CZ 4.26Å; L850-F853 WeakPolarHBondContact O-CB 3.29Å; L850-F853 PolarHBondContact O-N 3.09Å; L850-L881 HydrophobicContact CD1-CD1 3.98Å; L850-L881 HydrophobicContact CD1-CD2 3.94Å; L850-L881 HydrophobicContact CD2-CD1 3.84Å; L850-L881 HydrophobicContact CD2-CD2 4.41Å
851	Q	94.7	Very high	87.9	Confident	64 Å²	64	43 Å²	43	30%	0.299	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-21.7	175.4	-74.6	167	8.8	0	0	114.2	F757 L760 A847 L849 R854	F757-Q851 WeakPolarHBondContact O-CA 3.49Å; F757-Q851 VanDerWaalsContact O-CG 3.25Å; F757-Q851 WeakPolarHBondContact O-CG 3.14Å; L760-Q851 PolarHBondContact O-NE2 3.15Å; A847-Q851 WeakPolarHBondContact O-CB 3.4Å; A847-Q851 VanDerWaalsContact O-CG 3.24Å; A847-Q851 WeakPolarHBondContact O-CG 3.4Å; A847-Q851 PolarHBondContact O-N 3.38Å; L849-Q851 VanDerWaalsContact C-N 3.34Å; L849-Q851 PolarHBondContact O-N 3.44Å; Q851-R854 PolarHBondContact O-NH1 3.49Å
852	K	93.5	Very high	86.2	Confident	93 Å²	93	49 Å²	49	40%	0.404	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-5.9	179.3	-59.8	176	-174	179.6	0	113.9	P817 E820 L849 L850	P817-K852 HydrophobicContact CG-CB 4.11Å; E820-K852 IonicContact OE1-NZ 3.76Å; E820-K852 PolarHBondContact OE1-NZ 3.1Å; E820-K852 WeakPolarHBondContact OE2-CD 3.25Å; E820-K852 WeakPolarHBondContact OE2-CE 3.42Å; E820-K852 IonicContact OE2-NZ 3.95Å; E820-K852 PolarHBondContact OE2-NZ 3.22Å; L849-K852 WeakPolarHBondContact O-CB 3.33Å; L849-K852 PolarHBondContact O-N 3.37Å; L850-K852 PolarHBondContact O-N 3.43Å
853	F	94.5	Very high	84.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.235	C	C	.	.			trans	-63.1	140.2	174.5	-82.1	-127.8	0	0	0	110.6	L756 F757 V789 I814 D815 W816 I835 L837 L849 L850	L756-F853 HydrophobicContact CB-CB 4.29Å; L756-F853 HydrophobicContact CD1-CB 4.08Å; L756-F853 PolarHBondContact N-O 3.24Å; F757-F853 HydrophobicContact CD2-CB 4.02Å; F757-F853 HydrophobicContact CD2-CG 4.42Å; F757-F853 HydrophobicContact CE2-CB 4.25Å; F757-F853 HydrophobicContact CE2-CD1 4.38Å; F757-F853 HydrophobicContact CE2-CG 4.43Å; V789-F853 HydrophobicContact CB-CD1 4.23Å; V789-F853 HydrophobicContact CB-CE1 3.85Å; V789-F853 HydrophobicContact CG1-CD1 3.96Å; V789-F853 HydrophobicContact CG1-CE1 4.08Å; V789-F853 HydrophobicContact CG2-CD1 4.09Å; V789-F853 HydrophobicContact CG2-CE1 3.73Å; V789-F853 HydrophobicContact CG2-CZ 4.34Å; I814-F853 HydrophobicContact CG2-CD1 3.74Å; I814-F853 HydrophobicContact CG2-CE1 4.39Å; D815-F853 WeakPolarHBondContact O-CA 3.25Å; W816-F853 HydrophobicContact CB-CD1 3.95Å; W816-F853 HydrophobicContact CB-CD2 4.02Å; W816-F853 HydrophobicContact CB-CE1 3.66Å; W816-F853 HydrophobicContact CB-CE2 3.75Å; W816-F853 HydrophobicContact CB-CG 4.13Å; W816-F853 HydrophobicContact CB-CZ 3.56Å; W816-F853 HydrophobicContact CG-CE1 4.44Å; W816-F853 HydrophobicContact CG-CZ 4.34Å; I835-F853 HydrophobicContact CB-CE1 4.24Å; I835-F853 HydrophobicContact CD1-CE1 4.03Å; I835-F853 HydrophobicContact CG2-CE1 3.97Å; I835-F853 HydrophobicContact CG2-CZ 4.02Å; L837-F853 HydrophobicContact CD1-CE2 3.92Å; L837-F853 HydrophobicContact CD1-CZ 3.88Å; L837-F853 HydrophobicContact CD2-CZ 4.24Å; L837-F853 HydrophobicContact CG-CZ 4.15Å; L849-F853 WeakPolarHBondContact O-CD2 3.08Å; L850-F853 HydrophobicContact CD2-CD2 4.36Å; L850-F853 HydrophobicContact CD2-CE2 4.12Å; L850-F853 HydrophobicContact CD2-CZ 4.26Å; L850-F853 WeakPolarHBondContact O-CB 3.29Å; L850-F853 PolarHBondContact O-N 3.09Å
854	R	92.2	Very high	82.5	Confident	60 Å²	60	52.3 Å²	52.3	23%	0.226	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.5	180	-61.1	-63.6	175	-102.2	6.6	110.7	P752 I754 I814 D815 Q851	P752-R854 WeakPolarHBondContact O-CB 3.22Å; I754-R854 CarbonylContact O-C 3.44Å; I754-R854 WeakPolarHBondContact O-CA 3.45Å; I814-R854 CarbonylContact C-O 3.57Å; I814-R854 WeakPolarHBondContact CA-O 3.32Å; D815-R854 HydrophobicContact CB-CB 4.25Å; D815-R854 PolarHBondContact N-O 3.37Å; D815-R854 PolarHBondContact O-N 2.89Å; Q851-R854 PolarHBondContact O-NH1 3.49Å
855	F	89.8	Confident	80.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.2	173.4	176.6	-106.4	0	0	0	111.8	I754 L756 L791 R813 I814 P857 Y875 A877 I879 I899	I754-F855 HydrophobicContact CD1-CD1 4.38Å; I754-F855 PolarHBondContact N-O 3.35Å; I754-F855 PolarHBondContact O-N 3.04Å; L756-F855 HydrophobicContact CD1-CB 4.3Å; L756-F855 HydrophobicContact CD2-CB 3.82Å; L756-F855 HydrophobicContact CG-CB 4.15Å; L791-F855 HydrophobicContact CD1-CE2 4.08Å; L791-F855 HydrophobicContact CD1-CZ 4.4Å; L791-F855 HydrophobicContact CD2-CE2 4.25Å; R813-F855 WeakPolarHBondContact O-CD2 3.27Å; I814-F855 HydrophobicContact CG1-CD2 4Å; F855-P857 HydrophobicContact CD1-CB 4.49Å; F855-P857 HydrophobicContact CE1-CB 3.73Å; F855-P857 HydrophobicContact CE1-CG 4.39Å; F855-P857 HydrophobicContact CZ-CB 4.25Å; F855-Y875 HydrophobicContact CE1-CE1 4.29Å; F855-Y875 HydrophobicContact CZ-CE1 4.37Å; F855-A877 HydrophobicContact CE1-CB 3.94Å; F855-A877 HydrophobicContact CZ-CB 3.88Å; F855-I879 HydrophobicContact CB-CD1 4.06Å; F855-I879 HydrophobicContact CD1-CD1 4.5Å; F855-I879 HydrophobicContact CD2-CD1 3.67Å; F855-I879 HydrophobicContact CE2-CD1 4.17Å; F855-I879 HydrophobicContact CG-CD1 3.84Å; F855-I899 HydrophobicContact CB-CD1 3.67Å; F855-I899 HydrophobicContact CD1-CD1 3.23Å; F855-I899 HydrophobicContact CE1-CD1 3.94Å; F855-I899 HydrophobicContact CG-CD1 3.62Å
856	W	86.7	Confident	78.1	Confident	44 Å²	44	55.9 Å²	55.9	17%	0.167	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.4	167.3	-71.4	94.2	0	0	0	108.9	I749 P751 P752 A812 R813 D815	I749-W856 HydrophobicContact CG2-CE3 4.34Å; I749-W856 HydrophobicContact CG2-CZ3 4.31Å; P751-W856 HydrophobicContact CB-CH2 4.16Å; P751-W856 HydrophobicContact CB-CZ2 4.26Å; P751-W856 HydrophobicContact CG-CH2 3.9Å; P751-W856 HydrophobicContact CG-CZ2 4.41Å; P752-W856 PolarHBondContact O-NE1 3.28Å; A812-W856 CarbonylContact C-O 3.58Å; A812-W856 WeakPolarHBondContact CA-O 3.08Å; R813-W856 HydrophobicContact CG-CB 3.99Å; R813-W856 HydrophobicContact CG-CG 4.39Å; R813-W856 PolarHBondContact N-O 3.26Å; R813-W856 VanDerWaalsContact NH2-NE1 3.19Å; R813-W856 PolarHBondContact O-N 2.96Å; D815-W856 PolarHBondContact OD2-NE1 3.17Å
857	P	83.2	Confident	75.9	Confident	9 Å²	9	64.1 Å²	64.1	6%	0.058	31%	0.307	C	S	.	.			trans	-81.4	172	167.4	33.1	-35.1	0	0	0	112	I749 F855 I861 Y875 I901	I749-P857 HydrophobicContact CD1-CG 3.4Å; F855-P857 HydrophobicContact CD1-CB 4.49Å; F855-P857 HydrophobicContact CE1-CB 3.73Å; F855-P857 HydrophobicContact CE1-CG 4.39Å; F855-P857 HydrophobicContact CZ-CB 4.25Å; P857-I861 HydrophobicContact CB-CD1 3.46Å; P857-I861 VanDerWaalsContact CB-CD1 3.46Å; P857-I861 HydrophobicContact CB-CG1 4.41Å; P857-I861 HydrophobicContact CG-CD1 3.35Å; P857-Y875 HydrophobicContact CB-CD1 4.3Å; P857-Y875 HydrophobicContact CB-CE1 3.91Å; P857-I901 HydrophobicContact CB-CD1 3.91Å; P857-I901 HydrophobicContact CG-CD1 3.7Å
858	P	77.9	Confident	73.6	Confident	26 Å²	26	67.8 Å²	67.8	17%	0.169	33%	0.326	C	S	.	.			trans	-55.2	144.8	-177.7	-23.9	30.7	0	0	0	113.5	Y810 A812 N860 I861 Y875	Y810-P858 WeakPolarHBondContact O-CA 3.39Å; A812-P858 HydrophobicContact CB-CG 3.96Å; P858-N860 PolarHBondContact O-N 3.26Å; P858-I861 WeakPolarHBondContact O-CG1 2.93Å; P858-I861 PolarHBondContact O-N 2.98Å; P858-Y875 VanDerWaalsContact CD-CZ 3.41Å; P858-Y875 WeakPolarHBondContact CD-OH 3.11Å; P858-Y875 HydrophobicContact CG-CE2 3.85Å
859	K	71.2	Confident	71.5	Confident	171 Å²	171	70.4 Å²	70.4	74%	0.743	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.5	177.1	-68.7	175.3	-177.7	167.3	0	113.1	Y810	Y810-K859 PolarHBondContact O-N 3.02Å
860	N	67.1	Low	69.5	Low	103 Å²	103	76.8 Å²	76.8	55%	0.551	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	15.6	-170.3	-68.8	-3.3	0	0	0	114.8	P858 R862 S863 M864	P858-N860 PolarHBondContact O-N 3.26Å; N860-R862 PolarHBondContact O-N 2.94Å; N860-R862 VanDerWaalsContact O-N 3.08Å; N860-S863 PolarHBondContact O-N 2.8Å; N860-S863 PolarHBondContact O-OG 3.05Å; N860-M864 PolarHBondContact O-N 2.91Å
861	I	61.5	Low	67.5	Low	15 Å²	15	78.6 Å²	78.6	8%	0.077	39%	0.391	C	S	.	.	H	α-helix	trans	-51	-37.1	176.6	-69.8	158.8	0	0	0	112.7	P857 P858 S863 M864 Q865 I874 Y875 I901	P857-I861 HydrophobicContact CB-CD1 3.46Å; P857-I861 VanDerWaalsContact CB-CD1 3.46Å; P857-I861 HydrophobicContact CB-CG1 4.41Å; P857-I861 HydrophobicContact CG-CD1 3.35Å; P858-I861 WeakPolarHBondContact O-CG1 2.93Å; P858-I861 PolarHBondContact O-N 2.98Å; I861-S863 PolarHBondContact O-N 2.82Å; I861-M864 WeakPolarHBondContact O-CB 3.41Å; I861-M864 PolarHBondContact O-N 2.95Å; I861-Q865 PolarHBondContact O-N 2.83Å; I861-I874 HydrophobicContact CG2-CG2 3.67Å; I861-Y875 HydrophobicContact CG1-CD2 4.32Å; I861-I901 HydrophobicContact CD1-CD1 3.93Å
862	R	54	Low	66.1	Low	167 Å²	167	78.9 Å²	78.9	63%	0.63	39%	0.392	S	S	*	.	H	α-helix	trans	-63.1	-24.5	176.8	-70	-168.7	-177.6	-169.5	3.3	114.1	N860	N860-R862 PolarHBondContact O-N 2.94Å; N860-R862 VanDerWaalsContact O-N 3.08Å
863	S	54.7	Low	65	Low	60 Å²	60	76.5 Å²	76.5	42%	0.42	38%	0.383	S	S	.	.	H	α-helix	trans	-82.6	-20.5	173.1	68.8	0	0	0	0	113	N860 I861 Q865 L866	N860-S863 PolarHBondContact O-N 2.8Å; N860-S863 PolarHBondContact O-OG 3.05Å; I861-S863 PolarHBondContact O-N 2.82Å; S863-Q865 VanDerWaalsContact C-N 3.35Å; S863-L866 PolarHBondContact O-N 2.89Å
864	M	49.9	Very low	64	Low	62 Å²	62	76.7 Å²	76.7	31%	0.305	38%	0.384	S	S	.	.	H	α-helix	trans	-68.8	-37.3	168	-64	173.3	62.9	0	0	110.8	N796 N860 I861 L866 M867 I874 Y875	N796-M864 HydrophobicContact CB-CE 4.02Å; N860-M864 PolarHBondContact O-N 2.91Å; I861-M864 WeakPolarHBondContact O-CB 3.41Å; I861-M864 PolarHBondContact O-N 2.95Å; M864-L866 PolarHBondContact O-N 3.06Å; M864-L866 VanDerWaalsContact O-N 3.1Å; M864-M867 PolarHBondContact O-N 3.01Å; M864-M867 VanDerWaalsContact O-N 3.09Å; M864-I874 HydrophobicContact CB-CG2 4.25Å; M864-Y875 HydrophobicContact CE-CD2 3.92Å; M864-Y875 HydrophobicContact SD-CD2 3.87Å; M864-Y875 HydrophobicContact SD-CE2 4.39Å
865	Q	47	Very low	63.4	Low	70 Å²	70	74 Å²	74	33%	0.327	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.3	175.3	-161.6	176.9	3.7	0	0	114.2	I861 S863 I874	I861-Q865 PolarHBondContact O-N 2.83Å; S863-Q865 VanDerWaalsContact C-N 3.35Å; Q865-I874 HydrophobicContact CB-CD1 4.13Å; Q865-I874 HydrophobicContact CB-CG2 4.47Å; Q865-I874 HydrophobicContact CG-CD1 3.73Å
866	L	47.4	Very low	62.9	Low	147 Å²	147	75.4 Å²	75.4	77%	0.77	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-11.8	175.5	-86.6	159.6	0	0	0	113.7	S863 M864	S863-L866 PolarHBondContact O-N 2.89Å; M864-L866 PolarHBondContact O-N 3.06Å; M864-L866 VanDerWaalsContact O-N 3.1Å
867	M	49.1	Very low	62.7	Low	172 Å²	172	73.3 Å²	73.3	85%	0.847	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-27.2	-175.5	-68.9	-63.2	-172.1	0	0	113.8	M864	M864-M867 PolarHBondContact O-N 3.01Å; M864-M867 VanDerWaalsContact O-N 3.09Å
868	D	47.5	Very low	62.6	Low	82 Å²	82	73.4 Å²	73.4	44%	0.439	37%	0.373	S	S	.	.			trans	-151.1	123.8	175.4	-155.6	-27.2	0	0	0	110.2	N870 T871	D868-N870 VanDerWaalsContact C-N 3.31Å; D868-N870 PolarHBondContact OD1-N 3.15Å; D868-T871 HydrophobicContact CB-CG2 4.02Å
869	T	49.1	Very low	63	Low	130 Å²	130	72.1 Å²	72.1	80%	0.798	37%	0.365	S	S	*	.	S	Bend	trans	-83.5	-8.2	-177	54.2	0	0	0	0	113.3
870	N	53.2	Low	63.6	Low	138 Å²	138	64 Å²	64	74%	0.738	33%	0.329	S	S	*	.	S	Bend	trans	-106.6	0.2	-171.8	-69.7	7.9	0	0	0	114	D868 E872	D868-N870 VanDerWaalsContact C-N 3.31Å; D868-N870 PolarHBondContact OD1-N 3.15Å; N870-E872 PolarHBondContact O-N 2.81Å
871	T	52.8	Low	64.7	Low	38 Å²	38	59.1 Å²	59.1	23%	0.233	30%	0.303	C	S	.	.			trans	-82.7	111.6	178.4	55.3	0	0	0	0	111.5	D868 I873	D868-T871 HydrophobicContact CB-CG2 4.02Å; T871-I873 VanDerWaalsContact C-N 3.26Å; T871-I873 PolarHBondContact O-N 2.91Å
872	E	66.2	Low	65.8	Low	69 Å²	69	58.8 Å²	58.8	32%	0.322	30%	0.301	S	S	.	.	S	Bend	trans	-61.5	-33.8	176.1	-63.2	-171.4	154.5	0	0	113.3	N870 Q902 G903 L911	N870-E872 PolarHBondContact O-N 2.81Å; E872-Q902 CarbonylContact O-C 3.6Å; E872-Q902 WeakPolarHBondContact O-CA 3.44Å; E872-G903 PolarHBondContact O-N 3.44Å; E872-L911 VanDerWaalsContact CD-CD1 3.46Å; E872-L911 VanDerWaalsContact OE1-CD1 3.26Å; E872-L911 WeakPolarHBondContact OE1-CD1 3.49Å; E872-L911 WeakPolarHBondContact OE2-CB 3.38Å; E872-L911 WeakPolarHBondContact OE2-CD1 3.49Å
873	I	70	Confident	67.5	Low	43 Å²	43	50.9 Å²	50.9	22%	0.221	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	115.2	177.6	-55.5	170.9	0	0	0	108.3	P797 T871 M876 V900	P797-I873 HydrophobicContact CG-CB 3.75Å; P797-I873 HydrophobicContact CG-CG2 3.57Å; T871-I873 VanDerWaalsContact C-N 3.26Å; T871-I873 PolarHBondContact O-N 2.91Å; I873-M876 HydrophobicContact CG2-CG 3.63Å; I873-M876 HydrophobicContact CG2-SD 4.21Å; I873-V900 HydrophobicContact CB-CG1 4.44Å; I873-V900 HydrophobicContact CD1-CG1 3.94Å; I873-V900 HydrophobicContact CG1-CG1 3.91Å; I873-V900 HydrophobicContact CG2-CG1 3.72Å
874	I	72.8	Confident	68.7	Low	4 Å²	4	48.4 Å²	48.4	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-35	-178.6	-59	176.7	0	0	0	110.8	P747 I861 M864 Q865 I901 G903	P747-I874 HydrophobicContact CG-CD1 4.49Å; I861-I874 HydrophobicContact CG2-CG2 3.67Å; M864-I874 HydrophobicContact CB-CG2 4.25Å; Q865-I874 HydrophobicContact CB-CD1 4.13Å; Q865-I874 HydrophobicContact CB-CG2 4.47Å; Q865-I874 HydrophobicContact CG-CD1 3.73Å; I874-I901 PolarHBondContact N-O 2.81Å; I874-G903 VanDerWaalsContact CD1-CA 3.46Å
875	Y	80.8	Confident	69.9	Low	4 Å²	4	45.6 Å²	45.6	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	143.6	-172.3	-171.8	-84.6	0	0	0	111.3	T794 G795 F855 P857 P858 I861 M864 A877 I901	T794-Y875 WeakPolarHBondContact CB-OH 3.08Å; T794-Y875 WeakPolarHBondContact CG2-OH 3.43Å; T794-Y875 WeakPolarHBondContact OG1-CE1 3.28Å; T794-Y875 VanDerWaalsContact OG1-CZ 3.22Å; T794-Y875 PolarHBondContact OG1-OH 2.77Å; G795-Y875 CarbonylContact O-C 3.58Å; G795-Y875 WeakPolarHBondContact O-CA 3.19Å; F855-Y875 HydrophobicContact CE1-CE1 4.29Å; F855-Y875 HydrophobicContact CZ-CE1 4.37Å; P857-Y875 HydrophobicContact CB-CD1 4.3Å; P857-Y875 HydrophobicContact CB-CE1 3.91Å; P858-Y875 VanDerWaalsContact CD-CZ 3.41Å; P858-Y875 WeakPolarHBondContact CD-OH 3.11Å; P858-Y875 HydrophobicContact CG-CE2 3.85Å; I861-Y875 HydrophobicContact CG1-CD2 4.32Å; M864-Y875 HydrophobicContact CE-CD2 3.92Å; M864-Y875 HydrophobicContact SD-CD2 3.87Å; M864-Y875 HydrophobicContact SD-CE2 4.39Å; Y875-A877 HydrophobicContact CE1-CB 4.2Å; Y875-I901 HydrophobicContact CD1-CD1 3.69Å; Y875-I901 HydrophobicContact CD1-CG1 4.35Å; Y875-I901 HydrophobicContact CG-CD1 4.18Å; Y875-I901 PolarHBondContact N-O 2.81Å; Y875-I901 PolarHBondContact O-N 2.97Å
876	M	78.3	Confident	71	Confident	30 Å²	30	44.4 Å²	44.4	15%	0.148	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.2	173.7	-71	178.6	69.3	0	0	111	T794 G795 P797 L800 I873 K898 I899 V900	T794-M876 WeakPolarHBondContact CA-O 3.44Å; T794-M876 PolarHBondContact OG1-O 2.84Å; G795-M876 PolarHBondContact N-O 2.73Å; G795-M876 PolarHBondContact O-N 2.86Å; P797-M876 HydrophobicContact CB-SD 3.79Å; P797-M876 HydrophobicContact CG-CG 4.03Å; P797-M876 HydrophobicContact CG-SD 3.74Å; L800-M876 HydrophobicContact CD2-CB 4.03Å; I873-M876 HydrophobicContact CG2-CG 3.63Å; I873-M876 HydrophobicContact CG2-SD 4.21Å; M876-K898 HydrophobicContact CE-CD 3.95Å; M876-K898 HydrophobicContact CE-CG 4.12Å; M876-I899 VanDerWaalsContact CA-O 3.29Å; M876-I899 WeakPolarHBondContact CA-O 3.4Å; M876-V900 HydrophobicContact CE-CG2 4.45Å
877	A	83	Confident	71.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	135.3	168.1	0	0	0	0	0	110.4	L791 S793 T794 F855 Y875 K898 I899	L791-A877 HydrophobicContact CD1-CB 3.95Å; S793-A877 CarbonylContact O-C 3.48Å; S793-A877 VanDerWaalsContact O-CA 3.22Å; S793-A877 WeakPolarHBondContact O-CA 3.48Å; T794-A877 VanDerWaalsContact OG1-CB 3.27Å; T794-A877 WeakPolarHBondContact OG1-CB 3.28Å; F855-A877 HydrophobicContact CE1-CB 3.94Å; F855-A877 HydrophobicContact CZ-CB 3.88Å; Y875-A877 HydrophobicContact CE1-CB 4.2Å; A877-K898 CarbonylContact O-C 3.48Å; A877-K898 WeakPolarHBondContact O-CA 3.42Å; A877-I899 HydrophobicContact CB-CB 4.21Å; A877-I899 PolarHBondContact N-O 2.79Å; A877-I899 PolarHBondContact O-N 3.44Å
878	N	81.4	Confident	72	Confident	10 Å²	10	33.8 Å²	33.8	5%	0.053	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.4	168.3	-64.2	-35.3	0	0	0	108	I792 S793 V896 K898	I792-N878 WeakPolarHBondContact CA-O 3.49Å; I792-N878 HydrophobicContact CB-CB 4.07Å; I792-N878 WeakPolarHBondContact CB-O 3.48Å; I792-N878 HydrophobicContact CD1-CB 4.39Å; I792-N878 HydrophobicContact CG2-CB 4.48Å; I792-N878 PolarHBondContact N-O 3.07Å; S793-N878 PolarHBondContact N-O 2.83Å; S793-N878 VanDerWaalsContact N-O 3.15Å; S793-N878 PolarHBondContact O-N 3.36Å; S793-N878 PolarHBondContact OG-ND2 3.26Å; N878-V896 HydrophobicContact CB-CG1 4.14Å; N878-K898 WeakPolarHBondContact OD1-CG 3.44Å
879	I	85.7	Confident	72.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.5	-177.1	-72.4	165.3	0	0	0	108.7	L756 F757 V789 W790 L791 I814 F855 V896 V897 I899	L756-I879 HydrophobicContact CD1-CD1 4.18Å; L756-I879 HydrophobicContact CD1-CG2 4.12Å; L756-I879 HydrophobicContact CD2-CB 4.48Å; L756-I879 HydrophobicContact CD2-CD1 3.49Å; L756-I879 VanDerWaalsContact CD2-CD1 3.49Å; L756-I879 HydrophobicContact CD2-CG2 4.35Å; F757-I879 HydrophobicContact CZ-CG2 4.17Å; V789-I879 HydrophobicContact CG1-CG2 4Å; W790-I879 CarbonylContact O-C 3.57Å; W790-I879 WeakPolarHBondContact O-CA 3.47Å; W790-I879 WeakPolarHBondContact O-CG2 3.37Å; L791-I879 HydrophobicContact CD1-CD1 4.15Å; L791-I879 HydrophobicContact CD1-CG1 3.6Å; I814-I879 HydrophobicContact CD1-CD1 4.49Å; I814-I879 HydrophobicContact CD1-CG2 4.38Å; F855-I879 HydrophobicContact CB-CD1 4.06Å; F855-I879 HydrophobicContact CD1-CD1 4.5Å; F855-I879 HydrophobicContact CD2-CD1 3.67Å; F855-I879 HydrophobicContact CE2-CD1 4.17Å; F855-I879 HydrophobicContact CG-CD1 3.84Å; I879-V896 CarbonylContact O-C 3.6Å; I879-V896 WeakPolarHBondContact O-CA 3.35Å; I879-V897 PolarHBondContact N-O 2.79Å; I879-V897 PolarHBondContact O-N 2.78Å; I879-I899 HydrophobicContact CD1-CD1 3.76Å
880	G	84.5	Confident	72.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	150.5	179.5	0	0	0	0	0	111.7	V789 W790 F895	V789-G880 WeakPolarHBondContact CA-O 2.86Å; W790-G880 VanDerWaalsContact CZ3-C 3.43Å; W790-G880 PolarHBondContact N-O 3.12Å; W790-G880 PolarHBondContact O-N 3.4Å; G880-F895 CarbonylContact C-O 3.59Å
881	L	90.3	Very high	73.7	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	135.7	167.3	165.6	66.5	0	0	0	109.1	I737 F757 L760 C787 F788 V789 L850 F895	I737-L881 HydrophobicContact CD1-CD2 3.97Å; I737-L881 HydrophobicContact CD1-CG 3.89Å; I737-L881 HydrophobicContact CG2-CD2 4.37Å; F757-L881 HydrophobicContact CD1-CD2 4.07Å; F757-L881 HydrophobicContact CE1-CB 3.8Å; F757-L881 HydrophobicContact CE1-CD2 3.91Å; F757-L881 HydrophobicContact CG-CD2 4.47Å; F757-L881 HydrophobicContact CZ-CB 3.75Å; F757-L881 HydrophobicContact CZ-CD2 4.17Å; F757-L881 HydrophobicContact CZ-CG 4.48Å; L760-L881 HydrophobicContact CD1-CD2 3.24Å; C787-L881 HydrophobicContact CB-CD1 4.26Å; F788-L881 WeakPolarHBondContact O-CA 3.42Å; V789-L881 HydrophobicContact CG2-CB 4.5Å; V789-L881 HydrophobicContact CG2-CD1 3.71Å; L850-L881 HydrophobicContact CD1-CD1 3.98Å; L850-L881 HydrophobicContact CD1-CD2 3.94Å; L850-L881 HydrophobicContact CD2-CD1 3.84Å; L850-L881 HydrophobicContact CD2-CD2 4.41Å; L881-F895 HydrophobicContact CB-CB 4.39Å; L881-F895 HydrophobicContact CD2-CD1 4.49Å; L881-F895 PolarHBondContact N-O 3.43Å; L881-F895 PolarHBondContact O-N 3.1Å
882	M	85.1	Confident	75	Confident	9 Å²	9	23.2 Å²	23.2	4%	0.044	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	153.5	168.3	69.9	-174.6	-55	0	0	109.8	I353 S355 C787 F788 W790 T891	I353-M882 HydrophobicContact CG2-CE 3.7Å; I353-M882 HydrophobicContact CG2-SD 3.92Å; S355-M882 VanDerWaalsContact OG-CE 3.22Å; S355-M882 WeakPolarHBondContact OG-CE 3.4Å; S355-M882 PolarHBondContact OG-SD 2.91Å; S355-M882 VanDerWaalsContact OG-SD 3.36Å; C787-M882 CarbonylContact C-O 3.5Å; C787-M882 WeakPolarHBondContact CA-O 3.48Å; F788-M882 HydrophobicContact CB-CG 4.35Å; F788-M882 PolarHBondContact N-O 3.24Å; F788-M882 PolarHBondContact O-N 2.7Å; W790-M882 HydrophobicContact CH2-CB 4.29Å; W790-M882 HydrophobicContact CH2-CG 4.07Å; W790-M882 HydrophobicContact CH2-SD 4.01Å; W790-M882 HydrophobicContact CZ3-CB 4.22Å; W790-M882 HydrophobicContact CZ3-CG 3.83Å; W790-M882 HydrophobicContact CZ3-SD 4.25Å; M882-T891 HydrophobicContact CE-CG2 3.79Å
883	C	88	Confident	75.2	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.007	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	151.6	175.1	-57.2	0	0	0	0	111.3	F762 L784 D786 C787 T891 T892	F762-C883 HydrophobicContact CE1-CB 4.38Å; L784-C883 HydrophobicContact CD1-CB 3.96Å; L784-C883 HydrophobicContact CD2-CB 4.08Å; D786-C883 CarbonylContact O-C 3.55Å; D786-C883 VanDerWaalsContact O-CA 3.25Å; D786-C883 WeakPolarHBondContact O-CA 3.46Å; D786-C883 WeakPolarHBondContact O-CB 3.45Å; C787-C883 HydrophobicContact CB-CB 4.06Å; C787-C883 WeakPolarHBondContact CB-SG 3.35Å; C787-C883 WeakPolarHBondContact SG-CB 3.37Å; C787-C883 CovalentContact SG-SG 2.04Å; C787-C883 PolarHBondContact SG-SG 3.3Å; C883-T891 CarbonylContact O-C 3.54Å; C883-T891 VanDerWaalsContact O-CA 3.28Å; C883-T891 WeakPolarHBondContact O-CA 3.33Å; C883-T892 HydrophobicContact CB-CG2 4.01Å; C883-T892 PolarHBondContact N-OG1 3.4Å; C883-T892 PolarHBondContact O-N 2.82Å
884	S	80.1	Confident	75.3	Confident	8 Å²	8	22.2 Å²	22.2	6%	0.056	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	151.9	177.5	77.4	0	0	0	0	112.7	L784 D785 D786 Q890	L784-S884 WeakPolarHBondContact CA-O 3.44Å; D785-S884 PolarHBondContact N-O 2.86Å; D786-S884 VanDerWaalsContact CG-OG 3.31Å; D786-S884 PolarHBondContact O-N 2.86Å; D786-S884 VanDerWaalsContact OD1-CB 3.28Å; D786-S884 WeakPolarHBondContact OD1-CB 3.09Å; D786-S884 PolarHBondContact OD1-OG 2.85Å; S884-Q890 WeakPolarHBondContact CA-O 3.39Å
885	L	76.6	Confident	75.9	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	172.1	177.4	65.4	156.1	0	0	0	111.7	P732 L735 V782 L784 D785 G888 K889 Q890	P732-L885 HydrophobicContact CB-CD1 4.34Å; P732-L885 HydrophobicContact CG-CD1 4.47Å; L735-L885 HydrophobicContact CD1-CD1 4.44Å; V782-L885 HydrophobicContact CG1-CD1 3.98Å; L784-L885 HydrophobicContact CD2-CB 4.15Å; L784-L885 HydrophobicContact CD2-CD2 4.43Å; D785-L885 WeakPolarHBondContact OD2-CA 3.12Å; L885-G888 PolarHBondContact O-N 2.04Å; L885-G888 VanDerWaalsContact O-N 3.12Å; L885-K889 PolarHBondContact O-N 3.03Å; L885-K889 VanDerWaalsContact O-N 3.12Å; L885-Q890 HydrophobicContact CD2-CB 3.92Å; L885-Q890 HydrophobicContact CG-CB 3.93Å; L885-Q890 PolarHBondContact N-O 3.31Å; L885-Q890 PolarHBondContact O-N 3.41Å
886	D	69.5	Low	75.9	Confident	46 Å²	46	24.7 Å²	24.7	25%	0.246	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	52.6	-169.7	-163.8	36.2	0	0	0	114.5	P732 D785 G888 K889	P732-D886 HydrophobicContact CG-CB 4.08Å; D785-D886 PolarHBondContact OD2-N 2.77Å; D886-G888 PolarHBondContact O-N 3Å; D886-K889 HydrophobicContact CB-CB 4.46Å; D886-K889 WeakPolarHBondContact O-CG 3.32Å; D886-K889 PolarHBondContact O-N 3.23Å; D886-K889 WeakPolarHBondContact OD2-CD 3.29Å; D886-K889 IonicContact OD2-NZ 2.69Å; D886-K889 PolarHBondContact OD2-NZ 2.76Å
887	S	61	Low	76.4	Confident	64 Å²	64	23.2 Å²	23.2	45%	0.448	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	25.7	-176.5	-41.2	0	0	0	0	113.9	D785	D785-S887 WeakPolarHBondContact OD2-CA 3.49Å; D785-S887 PolarHBondContact OD2-N 2.78Å
888	G	57	Low	76.5	Confident	32 Å²	32	26.8 Å²	26.8	33%	0.33	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	9.5	-179.7	0	0	0	0	0	115.3	L885 D886	L885-G888 PolarHBondContact O-N 2.04Å; L885-G888 VanDerWaalsContact O-N 3.12Å; D886-G888 PolarHBondContact O-N 3Å
889	K	54.7	Low	76.8	Confident	135 Å²	135	26.3 Å²	26.3	59%	0.587	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-28.6	179.9	-69.6	176.3	-172.2	165.9	0	114.2	L885 D886	L885-K889 PolarHBondContact O-N 3.03Å; L885-K889 VanDerWaalsContact O-N 3.12Å; D886-K889 HydrophobicContact CB-CB 4.46Å; D886-K889 WeakPolarHBondContact O-CG 3.32Å; D886-K889 PolarHBondContact O-N 3.23Å; D886-K889 WeakPolarHBondContact OD2-CD 3.29Å; D886-K889 IonicContact OD2-NZ 2.69Å; D886-K889 PolarHBondContact OD2-NZ 2.76Å
890	Q	60.6	Low	76.7	Confident	9 Å²	9	27 Å²	27	4%	0.042	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.4	174.8	-68.1	175.4	10.9	0	0	108.6	H474 S884 L885	H474-Q890 PolarHBondContact CD2-NE2 2.78Å; H474-Q890 PolarHBondContact CE1-NE2 2.62Å; H474-Q890 PolarHBondContact NE2-NE2 2.94Å; S884-Q890 WeakPolarHBondContact CA-O 3.39Å; L885-Q890 HydrophobicContact CD2-CB 3.92Å; L885-Q890 HydrophobicContact CG-CB 3.93Å; L885-Q890 PolarHBondContact N-O 3.31Å; L885-Q890 PolarHBondContact O-N 3.41Å
891	T	70.4	Confident	76.8	Confident	18 Å²	18	27 Å²	27	11%	0.11	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	154.4	169.2	43.7	0	0	0	0	110.8	D476 M882 C883	D476-T891 PolarHBondContact OD1-OG1 3.04Å; D476-T891 WeakPolarHBondContact OD2-CA 3.27Å; D476-T891 PolarHBondContact OD2-N 2.9Å; D476-T891 PolarHBondContact OD2-OG1 2.86Å; M882-T891 HydrophobicContact CE-CG2 3.79Å; C883-T891 CarbonylContact O-C 3.54Å; C883-T891 VanDerWaalsContact O-CA 3.28Å; C883-T891 WeakPolarHBondContact O-CA 3.33Å
892	T	78.4	Confident	76.3	Confident	3 Å²	3	28.5 Å²	28.5	2%	0.018	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-68	154	162.8	63.4	0	0	0	0	109.1	L735 I737 F762 C883	L735-T892 HydrophobicContact CB-CG2 4.01Å; I737-T892 HydrophobicContact CD1-CG2 4.4Å; I737-T892 WeakPolarHBondContact CD1-OG1 3.33Å; I737-T892 HydrophobicContact CG1-CG2 4.24Å; F762-T892 HydrophobicContact CE1-CG2 4.32Å; C883-T892 HydrophobicContact CB-CG2 4.01Å; C883-T892 PolarHBondContact N-OG1 3.4Å; C883-T892 PolarHBondContact O-N 2.82Å
893	P	71.7	Confident	75.6	Confident	69 Å²	69	28.5 Å²	28.5	45%	0.448	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-49.9	152.6	161.4	-25.2	34.9	0	0	0	111.5	L735 I736 F895	L735-P893 WeakPolarHBondContact O-CD 3.38Å; I736-P893 HydrophobicContact CG2-CG 4.32Å; P893-F895 PolarHBondContact O-N 3.44Å
894	E	72.3	Confident	74.1	Confident	23 Å²	23	35.2 Å²	35.2	11%	0.107	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-73.5	122.7	177.1	-174.9	174	141.6	0	0	110	R351 W790 I792 V896	R351-E894 IonicContact CZ-OE1 2.64Å; R351-E894 IonicContact CZ-OE2 3.74Å; R351-E894 IonicContact NE-OE1 3.88Å; R351-E894 PolarHBondContact NE-OE1 3.27Å; R351-E894 IonicContact NE-OE2 3.43Å; R351-E894 PolarHBondContact NE-OE2 2.8Å; R351-E894 IonicContact NH1-OE1 2.71Å; R351-E894 PolarHBondContact NH1-OE1 3.39Å; R351-E894 IonicContact NH1-OE2 2.67Å; R351-E894 PolarHBondContact NH1-OE2 2.9Å; R351-E894 IonicContact NH2-OE2 3.34Å; W790-E894 VanDerWaalsContact CH2-CD 3.45Å; W790-E894 HydrophobicContact CH2-CG 3.69Å; W790-E894 HydrophobicContact CZ2-CG 4.03Å; W790-E894 VanDerWaalsContact CZ2-OE1 3.29Å; W790-E894 WeakPolarHBondContact CZ2-OE1 3.36Å; W790-E894 WeakPolarHBondContact CZ2-OE2 3.11Å; I792-E894 VanDerWaalsContact CD1-OE1 3.31Å; I792-E894 WeakPolarHBondContact CD1-OE1 3.49Å; E894-V896 HydrophobicContact CG-CG2 4.05Å
895	F	83.9	Confident	72.8	Confident	25 Å²	25	38.5 Å²	38.5	11%	0.11	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.4	175.3	-173	-101.7	0	0	0	109.5	I737 D741 F757 L760 G880 L881 P893 V897	I737-F895 HydrophobicContact CB-CB 3.89Å; I737-F895 HydrophobicContact CB-CD2 4.13Å; I737-F895 HydrophobicContact CB-CG 4.08Å; I737-F895 HydrophobicContact CD1-CB 3.93Å; I737-F895 HydrophobicContact CG2-CB 3.72Å; I737-F895 HydrophobicContact CG2-CD1 3.9Å; I737-F895 HydrophobicContact CG2-CD2 3.71Å; I737-F895 HydrophobicContact CG2-CE1 4.48Å; I737-F895 HydrophobicContact CG2-CE2 4.32Å; I737-F895 HydrophobicContact CG2-CG 3.48Å; I737-F895 VanDerWaalsContact CG2-CG 3.48Å; D741-F895 HydrophobicContact CB-CZ 4.48Å; F757-F895 HydrophobicContact CD1-CD1 4.2Å; F757-F895 HydrophobicContact CD1-CE1 4.15Å; F757-F895 HydrophobicContact CE1-CD1 4.18Å; F757-F895 HydrophobicContact CE1-CE1 4.46Å; L760-F895 HydrophobicContact CD1-CD1 4.49Å; G880-F895 CarbonylContact C-O 3.59Å; L881-F895 HydrophobicContact CB-CB 4.39Å; L881-F895 HydrophobicContact CD2-CD1 4.49Å; L881-F895 PolarHBondContact N-O 3.43Å; L881-F895 PolarHBondContact O-N 3.1Å; P893-F895 PolarHBondContact O-N 3.44Å; F895-V897 HydrophobicContact CD1-CG2 4.02Å; F895-V897 HydrophobicContact CE1-CG2 3.54Å; F895-V897 HydrophobicContact CZ-CG2 4.48Å
896	V	81.6	Confident	71.3	Confident	34 Å²	34	40 Å²	40	21%	0.206	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.3	-176.2	-178.4	0	0	0	0	110.7	I792 N878 I879 E894	I792-V896 HydrophobicContact CD1-CB 4.31Å; I792-V896 HydrophobicContact CD1-CG1 3.75Å; I792-V896 HydrophobicContact CD1-CG2 3.73Å; N878-V896 HydrophobicContact CB-CG1 4.14Å; I879-V896 CarbonylContact O-C 3.6Å; I879-V896 WeakPolarHBondContact O-CA 3.35Å; E894-V896 HydrophobicContact CG-CG2 4.05Å
897	V	88	Confident	70	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.1	171.8	178.2	0	0	0	0	110.1	D741 V743 L756 F757 I879 F895	D741-V897 CarbonylContact O-C 3.49Å; D741-V897 WeakPolarHBondContact O-CA 3.46Å; V743-V897 HydrophobicContact CG2-CG1 3.8Å; L756-V897 HydrophobicContact CD2-CG1 4.44Å; F757-V897 HydrophobicContact CD1-CG2 3.71Å; F757-V897 HydrophobicContact CE1-CB 4.43Å; F757-V897 HydrophobicContact CE1-CG2 3.54Å; I879-V897 PolarHBondContact N-O 2.79Å; I879-V897 PolarHBondContact O-N 2.78Å; F895-V897 HydrophobicContact CD1-CG2 4.02Å; F895-V897 HydrophobicContact CE1-CG2 3.54Å; F895-V897 HydrophobicContact CZ-CG2 4.48Å
898	K	85.1	Confident	69.1	Low	74 Å²	74	48 Å²	48	32%	0.322	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	106.1	177.6	-179.1	176.7	-67.2	164.1	0	110.7	D741 I742 V743 M876 A877 N878 V900	D741-K898 PolarHBondContact O-N 3.15Å; I742-K898 WeakPolarHBondContact CA-O 3.26Å; I742-K898 HydrophobicContact CG1-CB 4.39Å; V743-K898 PolarHBondContact N-O 3.06Å; M876-K898 HydrophobicContact CE-CD 3.95Å; M876-K898 HydrophobicContact CE-CG 4.12Å; A877-K898 CarbonylContact O-C 3.48Å; A877-K898 WeakPolarHBondContact O-CA 3.42Å; N878-K898 WeakPolarHBondContact OD1-CG 3.44Å; K898-V900 HydrophobicContact CG-CG2 4.15Å
899	I	87.6	Confident	68.4	Low	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.6	171.3	-57	179.7	0	0	0	109.4	V743 I754 L756 F855 M876 A877 I879 I901	V743-I899 WeakPolarHBondContact O-CA 3.38Å; I754-I899 HydrophobicContact CD1-CG2 3.69Å; I754-I899 HydrophobicContact CG2-CD1 4.23Å; L756-I899 HydrophobicContact CD2-CD1 3.71Å; L756-I899 HydrophobicContact CD2-CG1 4.37Å; F855-I899 HydrophobicContact CB-CD1 3.67Å; F855-I899 HydrophobicContact CD1-CD1 3.23Å; F855-I899 HydrophobicContact CE1-CD1 3.94Å; F855-I899 HydrophobicContact CG-CD1 3.62Å; M876-I899 VanDerWaalsContact CA-O 3.29Å; M876-I899 WeakPolarHBondContact CA-O 3.4Å; A877-I899 HydrophobicContact CB-CB 4.21Å; A877-I899 PolarHBondContact N-O 2.79Å; A877-I899 PolarHBondContact O-N 3.44Å; I879-I899 HydrophobicContact CD1-CD1 3.76Å; I899-I901 HydrophobicContact CG2-CG1 4.15Å
900	V	85.4	Confident	67.8	Low	14 Å²	14	46.5 Å²	46.5	9%	0.085	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.2	175.3	-177.8	0	0	0	0	108.7	V743 T744 T745 I873 M876 K898 Q902	V743-V900 PolarHBondContact O-N 3.39Å; T744-V900 CarbonylContact C-O 3.41Å; T744-V900 WeakPolarHBondContact CA-O 3.34Å; T744-V900 HydrophobicContact CG2-CB 4.26Å; T745-V900 PolarHBondContact N-O 2.95Å; I873-V900 HydrophobicContact CB-CG1 4.44Å; I873-V900 HydrophobicContact CD1-CG1 3.94Å; I873-V900 HydrophobicContact CG1-CG1 3.91Å; I873-V900 HydrophobicContact CG2-CG1 3.72Å; M876-V900 HydrophobicContact CE-CG2 4.45Å; K898-V900 HydrophobicContact CG-CG2 4.15Å; V900-Q902 HydrophobicContact CG1-CG 4.25Å
901	I	84.9	Confident	66.6	Low	0 Å²	0	49 Å²	49	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	110.9	177.1	-53	-180	0	0	0	108.6	T745 P747 I749 I754 P857 I861 I874 Y875 I899	T745-I901 CarbonylContact O-C 3.56Å; T745-I901 WeakPolarHBondContact O-CA 3.15Å; P747-I901 HydrophobicContact CG-CG2 3.75Å; I749-I901 HydrophobicContact CD1-CD1 3.7Å; I749-I901 HydrophobicContact CD1-CG1 4.42Å; I754-I901 HydrophobicContact CD1-CD1 4.41Å; P857-I901 HydrophobicContact CB-CD1 3.91Å; P857-I901 HydrophobicContact CG-CD1 3.7Å; I861-I901 HydrophobicContact CD1-CD1 3.93Å; I874-I901 PolarHBondContact N-O 2.81Å; Y875-I901 HydrophobicContact CD1-CD1 3.69Å; Y875-I901 HydrophobicContact CD1-CG1 4.35Å; Y875-I901 HydrophobicContact CG-CD1 4.18Å; Y875-I901 PolarHBondContact N-O 2.81Å; Y875-I901 PolarHBondContact O-N 2.97Å; I899-I901 HydrophobicContact CG2-CG1 4.15Å
902	Q	80.4	Confident	65.1	Low	33 Å²	33	53.3 Å²	53.3	15%	0.154	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	155.8	-175.5	-66.8	178.1	-10.9	0	0	112.4	T745 E746 P747 E872 V900	T745-Q902 PolarHBondContact O-N 3.08Å; E746-Q902 HydrophobicContact CG-CB 4.23Å; P747-Q902 WeakPolarHBondContact CD-O 3.4Å; E872-Q902 CarbonylContact O-C 3.6Å; E872-Q902 WeakPolarHBondContact O-CA 3.44Å; V900-Q902 HydrophobicContact CG1-CG 4.25Å
903	G	70.3	Confident	63.2	Low	9 Å²	9	58.9 Å²	58.9	9%	0.093	34%	0.341	C	S	.	.			trans	-86.4	142.6	177.4	0	0	0	0	0	114	E872 I874 G905 S906	E872-G903 PolarHBondContact O-N 3.44Å; I874-G903 VanDerWaalsContact CD1-CA 3.46Å; G903-G905 PolarHBondContact O-N 2.62Å; G903-S906 PolarHBondContact O-N 3.35Å
904	K	55.8	Low	61.6	Low	142 Å²	142	61.6 Å²	61.6	62%	0.617	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	107.3	172	-75.3	-163.7	173	-164.2	0	110.5	P747	P747-K904 WeakPolarHBondContact O-CE 3.35Å
905	G	53.8	Low	59.8	Low	77 Å²	77	63.9 Å²	63.9	79%	0.794	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	131.1	-2.6	179.9	0	0	0	0	0	115.1	G903 E907	G903-G905 PolarHBondContact O-N 2.62Å; G905-E907 PolarHBondContact O-N 3.43Å
906	S	45.4	Very low	57.3	Low	34 Å²	34	64 Å²	64	24%	0.238	37%	0.372	C	S	.	.			trans	-60.4	123.2	170.7	164	0	0	0	0	111.4	G903 T908	G903-S906 PolarHBondContact O-N 3.35Å; S906-T908 PolarHBondContact O-N 3.49Å
907	E	42.7	Very low	54.9	Low	178 Å²	178	63.9 Å²	63.9	83%	0.832	37%	0.374	S	S	*	.			trans	-78.4	95.8	165.6	-75.3	-167.2	151.6	0	0	108.7	G905 A909	G905-E907 PolarHBondContact O-N 3.43Å; E907-A909 PolarHBondContact O-N 3.43Å
908	T	41.4	Very low	52.3	Low	98 Å²	98	71.1 Å²	71.1	60%	0.601	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	84.8	-167.9	56	0	0	0	0	114	S906	S906-T908 PolarHBondContact O-N 3.49Å
909	A	42.2	Very low	49.8	Very low	63 Å²	63	72.2 Å²	72.2	52%	0.521	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-164.5	-40.5	159.4	0	0	0	0	0	115.9	E907 N913	E907-A909 PolarHBondContact O-N 3.43Å; A909-N913 PolarHBondContact O-ND2 2.96Å
910	S	40.9	Very low	46.9	Very low	74 Å²	74	74.5 Å²	74.5	52%	0.517	43%	0.43	S	S	.	.	H	α-helix	trans	-73	-52.7	-165.4	48	0	0	0	0	113.2	I912 N913 E914	S910-I912 PolarHBondContact O-N 3.08Å; S910-N913 CarbonylContact O-C 3.54Å; S910-N913 WeakPolarHBondContact O-CA 3.48Å; S910-N913 WeakPolarHBondContact O-CB 3.23Å; S910-N913 PolarHBondContact O-N 3.14Å; S910-E914 PolarHBondContact O-N 2.83Å
911	L	36.6	Very low	44.2	Very low	60 Å²	60	79.4 Å²	79.4	31%	0.314	46%	0.456	S	S	.	.	H	α-helix	trans	-80.2	-14	-174.5	-95.4	144.3	0	0	0	114.7	E872 N913 E914 V915	E872-L911 VanDerWaalsContact CD-CD1 3.46Å; E872-L911 VanDerWaalsContact OE1-CD1 3.26Å; E872-L911 WeakPolarHBondContact OE1-CD1 3.49Å; E872-L911 WeakPolarHBondContact OE2-CB 3.38Å; E872-L911 WeakPolarHBondContact OE2-CD1 3.49Å; L911-N913 VanDerWaalsContact C-N 3.26Å; L911-E914 HydrophobicContact CD2-CB 4.07Å; L911-E914 HydrophobicContact CG-CB 4.21Å; L911-E914 PolarHBondContact O-N 3.38Å; L911-V915 HydrophobicContact CD2-CG2 3.82Å; L911-V915 VanDerWaalsContact O-CB 3.25Å; L911-V915 WeakPolarHBondContact O-CB 3.19Å; L911-V915 WeakPolarHBondContact O-CG2 3.41Å; L911-V915 PolarHBondContact O-N 3.08Å
912	I	39.7	Very low	41.5	Very low	109 Å²	109	84.9 Å²	84.9	56%	0.559	48%	0.482	S	S	*	.	H	α-helix	trans	-66.6	-35	162.4	-63	176.6	0	0	0	109.9	S910 G916	S910-I912 PolarHBondContact O-N 3.08Å; I912-G916 WeakPolarHBondContact O-CA 3.38Å; I912-G916 PolarHBondContact O-N 2.73Å
913	N	38.5	Very low	39	Very low	120 Å²	120	85.8 Å²	85.8	64%	0.642	49%	0.491	S	S	*	.	H	α-helix	trans	-80.4	-23.1	171.5	-71.4	-33.7	0	0	0	113	A909 S910 L911 A917	A909-N913 PolarHBondContact O-ND2 2.96Å; S910-N913 CarbonylContact O-C 3.54Å; S910-N913 WeakPolarHBondContact O-CA 3.48Å; S910-N913 WeakPolarHBondContact O-CB 3.23Å; S910-N913 PolarHBondContact O-N 3.14Å; L911-N913 VanDerWaalsContact C-N 3.26Å; N913-A917 WeakPolarHBondContact O-CA 3.47Å; N913-A917 WeakPolarHBondContact O-CB 3.23Å; N913-A917 PolarHBondContact O-N 2.94Å
914	E	36.6	Very low	36.8	Very low	127 Å²	127	91.7 Å²	91.7	59%	0.593	52%	0.52	S	S	*	.	H	α-helix	trans	-92.1	-40.8	-177.9	-152	167.9	-136.5	0	0	112.8	S910 L911 A917 F918	S910-E914 PolarHBondContact O-N 2.83Å; L911-E914 HydrophobicContact CD2-CB 4.07Å; L911-E914 HydrophobicContact CG-CB 4.21Å; L911-E914 PolarHBondContact O-N 3.38Å; E914-A917 CarbonylContact O-C 3.45Å; E914-A917 PolarHBondContact O-N 3.28Å; E914-F918 WeakPolarHBondContact O-CB 3.35Å; E914-F918 PolarHBondContact O-N 2.9Å
915	V	35.4	Very low	35.6	Very low	70 Å²	70	88.5 Å²	88.5	42%	0.424	52%	0.516	S	S	.	.	H	α-helix	trans	-68.1	-39.3	162.6	-177.1	0	0	0	0	109.7	L911 A917 F918 I919	L911-V915 HydrophobicContact CD2-CG2 3.82Å; L911-V915 VanDerWaalsContact O-CB 3.25Å; L911-V915 WeakPolarHBondContact O-CB 3.19Å; L911-V915 WeakPolarHBondContact O-CG2 3.41Å; L911-V915 PolarHBondContact O-N 3.08Å; V915-A917 VanDerWaalsContact C-N 3.28Å; V915-A917 PolarHBondContact O-N 3.46Å; V915-F918 PolarHBondContact O-N 2.88Å; V915-I919 HydrophobicContact CG1-CD1 3.94Å; V915-I919 WeakPolarHBondContact O-CB 3.38Å; V915-I919 VanDerWaalsContact O-CG1 3.29Å; V915-I919 WeakPolarHBondContact O-CG1 3.39Å; V915-I919 PolarHBondContact O-N 3.43Å
916	G	31.5	Very low	34.5	Very low	29 Å²	29	90.1 Å²	90.1	30%	0.299	52%	0.515	S	S	.	.	H	α-helix	trans	-63.7	-28.6	170.8	0	0	0	0	0	113.3	I912 S920	I912-G916 WeakPolarHBondContact O-CA 3.38Å; I912-G916 PolarHBondContact O-N 2.73Å; G916-S920 WeakPolarHBondContact O-CA 3.25Å; G916-S920 WeakPolarHBondContact O-CB 3.35Å; G916-S920 PolarHBondContact O-N 2.73Å; G916-S920 PolarHBondContact O-OG 2.86Å
917	A	31.3	Very low	33.7	Very low	30 Å²	30	94.4 Å²	94.4	25%	0.248	53%	0.531	C	S	.	.	H	α-helix	trans	-84.9	-27	170.7	0	0	0	0	0	113	N913 E914 V915 I919 S920 N921	N913-A917 WeakPolarHBondContact O-CA 3.47Å; N913-A917 WeakPolarHBondContact O-CB 3.23Å; N913-A917 PolarHBondContact O-N 2.94Å; E914-A917 CarbonylContact O-C 3.45Å; E914-A917 PolarHBondContact O-N 3.28Å; V915-A917 VanDerWaalsContact C-N 3.28Å; V915-A917 PolarHBondContact O-N 3.46Å; A917-I919 VanDerWaalsContact C-N 3.33Å; A917-S920 WeakPolarHBondContact CA-OG 3.46Å; A917-N921 WeakPolarHBondContact O-CA 3.27Å; A917-N921 WeakPolarHBondContact O-CB 3.19Å; A917-N921 VanDerWaalsContact O-CG 3.22Å; A917-N921 PolarHBondContact O-N 3.36Å; A917-N921 PolarHBondContact O-ND2 3.24Å; A917-N921 VanDerWaalsContact O-ND2 3.09Å
918	F	32.4	Very low	33	Very low	152 Å²	152	90.4 Å²	90.4	67%	0.667	52%	0.52	S	S	*	.	H	α-helix	trans	-67.1	-40.4	170.5	-136.1	-91	0	0	0	110.3	E914 V915 Q922	E914-F918 WeakPolarHBondContact O-CB 3.35Å; E914-F918 PolarHBondContact O-N 2.9Å; V915-F918 PolarHBondContact O-N 2.88Å; F918-Q922 WeakPolarHBondContact O-CG 3.49Å
919	I	32.8	Very low	32.4	Very low	98 Å²	98	90.2 Å²	90.2	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-73.5	-46.7	172.9	-64.8	169.3	0	0	0	110.7	V915 A917 Q922 S923	V915-I919 HydrophobicContact CG1-CD1 3.94Å; V915-I919 WeakPolarHBondContact O-CB 3.38Å; V915-I919 VanDerWaalsContact O-CG1 3.29Å; V915-I919 WeakPolarHBondContact O-CG1 3.39Å; V915-I919 PolarHBondContact O-N 3.43Å; A917-I919 VanDerWaalsContact C-N 3.33Å; I919-Q922 CarbonylContact O-C 3.58Å; I919-Q922 PolarHBondContact O-N 2.74Å; I919-S923 WeakPolarHBondContact O-CB 3.35Å; I919-S923 PolarHBondContact O-N 3.18Å
920	S	28	Very low	31.9	Very low	47 Å²	47	93 Å²	93	33%	0.329	53%	0.529	S	S	.	.	H	α-helix	trans	-79.4	-26.7	-175.5	64.6	0	0	0	0	115.4	G916 A917 Q922 S923 L924	G916-S920 WeakPolarHBondContact O-CA 3.25Å; G916-S920 WeakPolarHBondContact O-CB 3.35Å; G916-S920 PolarHBondContact O-N 2.73Å; G916-S920 PolarHBondContact O-OG 2.86Å; A917-S920 WeakPolarHBondContact CA-OG 3.46Å; S920-Q922 PolarHBondContact O-N 2.95Å; S920-S923 WeakPolarHBondContact CA-OG 3.37Å; S920-S923 CarbonylContact O-C 3.47Å; S920-S923 PolarHBondContact O-N 3.01Å; S920-S923 PolarHBondContact O-OG 3.06Å; S920-L924 WeakPolarHBondContact O-CB 3.39Å; S920-L924 WeakPolarHBondContact O-CD1 3.37Å; S920-L924 PolarHBondContact O-N 2.67Å
921	N	27.9	Very low	31.3	Very low	118 Å²	118	92.1 Å²	92.1	63%	0.631	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.6	168	-67.8	-38.3	0	0	0	112.3	A917	A917-N921 WeakPolarHBondContact O-CA 3.27Å; A917-N921 WeakPolarHBondContact O-CB 3.19Å; A917-N921 VanDerWaalsContact O-CG 3.22Å; A917-N921 PolarHBondContact O-N 3.36Å; A917-N921 PolarHBondContact O-ND2 3.24Å; A917-N921 VanDerWaalsContact O-ND2 3.09Å
922	Q	28.5	Very low	30.9	Very low	115 Å²	115	91.7 Å²	91.7	54%	0.537	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-29.3	164.4	-70.4	-174.7	-13.8	0	0	112.1	F918 I919 S920 L924	F918-Q922 WeakPolarHBondContact O-CG 3.49Å; I919-Q922 CarbonylContact O-C 3.58Å; I919-Q922 PolarHBondContact O-N 2.74Å; S920-Q922 PolarHBondContact O-N 2.95Å; Q922-L924 PolarHBondContact O-N 3.46Å
923	S	26.6	Very low	30.3	Very low	51 Å²	51	88.4 Å²	88.4	36%	0.357	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	13.1	172.3	95	0	0	0	0	114.4	I919 S920	I919-S923 WeakPolarHBondContact O-CB 3.35Å; I919-S923 PolarHBondContact O-N 3.18Å; S920-S923 WeakPolarHBondContact CA-OG 3.37Å; S920-S923 CarbonylContact O-C 3.47Å; S920-S923 PolarHBondContact O-N 3.01Å; S920-S923 PolarHBondContact O-OG 3.06Å
924	L	25.2	Very low	29.6	Very low	133 Å²	133	89.1 Å²	89.1	70%	0.696	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	10	176.4	-108.3	148.9	0	0	0	113.1	S920 Q922	S920-L924 WeakPolarHBondContact O-CB 3.39Å; S920-L924 WeakPolarHBondContact O-CD1 3.37Å; S920-L924 PolarHBondContact O-N 2.67Å; Q922-L924 PolarHBondContact O-N 3.46Å
925	S	29.4	Very low	29.2	Very low	75 Å²	75	86.4 Å²	86.4	52%	0.524	49%	0.492	S	S	.	.	S	Bend	trans	-70.4	140.2	143.7	65.4	0	0	0	0	108.1	H927	S925-H927 PolarHBondContact O-N 3.01Å
926	S	32.1	Very low	28.7	Very low	112 Å²	112	87.5 Å²	87.5	78%	0.783	50%	0.499	S	S	*	.	S	Bend	trans	-71.3	12.6	-165.4	57.2	0	0	0	0	116.2
927	H	27.9	Very low	28.5	Very low	123 Å²	123	91.9 Å²	91.9	57%	0.569	51%	0.514	S	S	*	.	S	Bend	trans	-140.1	100.9	170.1	-70.5	-60.4	0	0	0	109.4	S925 N929	S925-H927 PolarHBondContact O-N 3.01Å; H927-N929 PolarHBondContact O-N 3.23Å
928	P	27.5	Very low	28.5	Very low	94 Å²	94	91.8 Å²	91.8	61%	0.61	51%	0.512	S	S	*	.			trans	-70.8	116.4	173.2	28.9	-32.8	0	0	0	109.4	P930	P928-P930 WeakPolarHBondContact O-CD 3.34Å
929	N	30.1	Very low	28.3	Very low	95 Å²	95	90 Å²	90	51%	0.508	51%	0.51	S	S	.	.			trans	-88.9	114.7	176.7	-168.4	23.3	0	0	0	110	H927 D931	H927-N929 PolarHBondContact O-N 3.23Å; N929-D931 VanDerWaalsContact C-N 3.26Å; N929-D931 PolarHBondContact O-N 2.99Å
930	P	31.1	Very low	28.3	Very low	122 Å²	122	91.2 Å²	91.2	79%	0.792	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-11.4	-171.5	27.7	-35.3	0	0	0	115.3	P928	P928-P930 WeakPolarHBondContact O-CD 3.34Å
931	D	29.1	Very low	28.6	Very low	55 Å²	55	93.2 Å²	93.2	29%	0.294	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-1.5	-175.3	-81.1	-62.5	0	0	0	115.7	R351 N929 V933	R351-D931 IonicContact NH2-OD1 2.77Å; N929-D931 VanDerWaalsContact C-N 3.26Å; N929-D931 PolarHBondContact O-N 2.99Å; D931-V933 PolarHBondContact O-N 3.4Å
932	A	26.4	Very low	29	Very low	50 Å²	50	93.3 Å²	93.3	41%	0.413	51%	0.509	S	S	.	.			trans	-75.4	110.6	-174.4	0	0	0	0	0	113.8
933	V	27.2	Very low	29.5	Very low	40 Å²	40	93.3 Å²	93.3	24%	0.242	51%	0.511	C	S	.	.			trans	-120.5	112	171.9	-177.5	0	0	0	0	110.5	L365 D931	L365-V933 WeakPolarHBondContact CD2-O 3.4Å; D931-V933 PolarHBondContact O-N 3.4Å
934	H	25.3	Very low	30.1	Very low	136 Å²	136	98.9 Å²	98.9	63%	0.63	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-82.7	132.8	-176.1	-61.8	-77.4	0	0	0	113.2
935	Y	27.5	Very low	31	Very low	69 Å²	69	96.8 Å²	96.8	27%	0.271	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-103.6	154	170.7	-66	-68.7	0	0	0	111.8	I802	I802-Y935 HydrophobicContact CB-CE1 4.26Å; I802-Y935 HydrophobicContact CD1-CD1 3.52Å; I802-Y935 HydrophobicContact CD1-CE1 3.63Å; I802-Y935 HydrophobicContact CD1-CG 4.47Å; I802-Y935 HydrophobicContact CG1-CD1 4.06Å; I802-Y935 HydrophobicContact CG1-CE1 3.72Å; I802-Y935 HydrophobicContact CG2-CD1 4.45Å; I802-Y935 HydrophobicContact CG2-CE1 3.48Å; I802-Y935 VanDerWaalsContact CG2-CE1 3.48Å; I802-Y935 WeakPolarHBondContact CG2-OH 3.16Å
936	V	25.4	Very low	31.1	Very low	94 Å²	94	95.6 Å²	95.6	57%	0.57	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-74.2	132.3	-168.5	-178.6	0	0	0	0	111.4
937	L	26.1	Very low	31.2	Very low	120 Å²	120	95 Å²	95	63%	0.628	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-56.3	148.6	175.5	-66.1	166.7	0	0	0	112.7	E941	L937-E941 WeakPolarHBondContact CD2-OE2 3.42Å
938	S	32	Very low	31.7	Very low	29 Å²	29	98.8 Å²	98.8	20%	0.203	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-66.6	144.4	179.6	-179.8	0	0	0	0	111.6	Q940 E941 R942	S938-Q940 PolarHBondContact O-N 2.82Å; S938-E941 PolarHBondContact N-OE2 2.87Å; S938-E941 PolarHBondContact O-N 3.2Å; S938-R942 PolarHBondContact O-N 2.69Å
939	D	28	Very low	32	Very low	115 Å²	115	98.8 Å²	98.8	62%	0.615	53%	0.533	S	S	*	.	H	α-helix	trans	-58.2	-23.9	-179.8	-78.4	-34.8	0	0	0	113.2	R942 I943	D939-R942 IonicContact OD1-NH1 3.32Å; D939-R942 PolarHBondContact OD1-NH1 2.75Å; D939-I943 WeakPolarHBondContact O-CG1 3.38Å; D939-I943 PolarHBondContact O-N 2.99Å
940	Q	32.8	Very low	32	Very low	123 Å²	123	101 Å²	101	58%	0.575	55%	0.545	S	S	*	.	H	α-helix	trans	-69.2	-40.6	176.1	-163.1	69.8	20.5	0	0	112.2	S938 R942 I943	S938-Q940 PolarHBondContact O-N 2.82Å; Q940-R942 VanDerWaalsContact C-N 3.32Å; Q940-I943 WeakPolarHBondContact O-CB 3.36Å; Q940-I943 PolarHBondContact O-N 2.78Å
941	E	35.5	Very low	32	Very low	89 Å²	89	102.6 Å²	102.6	42%	0.416	55%	0.546	S	S	.	.	H	α-helix	trans	-70.7	-31.6	177.8	-61.9	175.3	125.9	0	0	111.2	L937 S938 I943 E944 S945	L937-E941 WeakPolarHBondContact CD2-OE2 3.42Å; S938-E941 PolarHBondContact N-OE2 2.87Å; S938-E941 PolarHBondContact O-N 3.2Å; E941-I943 PolarHBondContact O-N 3.31Å; E941-E944 PolarHBondContact O-N 2.77Å; E941-S945 PolarHBondContact O-N 3.18Å
942	R	34.7	Very low	31.9	Very low	120 Å²	120	111.3 Å²	111.3	45%	0.453	58%	0.575	S	S	.	*	H	α-helix	trans	-68.6	-20.6	174.1	-166.2	-178.6	-82.7	143.6	-9.7	112.9	S938 D939 Q940 S945	S938-R942 PolarHBondContact O-N 2.69Å; D939-R942 IonicContact OD1-NH1 3.32Å; D939-R942 PolarHBondContact OD1-NH1 2.75Å; Q940-R942 VanDerWaalsContact C-N 3.32Å; R942-S945 PolarHBondContact O-OG 2.91Å
943	I	39.2	Very low	32	Very low	115 Å²	115	116.9 Å²	116.9	59%	0.59	60%	0.597	S	S	*	*	H	α-helix	trans	-76.7	-38.5	172.8	-69.4	164.2	0	0	0	111	D939 Q940 E941 G946	D939-I943 WeakPolarHBondContact O-CG1 3.38Å; D939-I943 PolarHBondContact O-N 2.99Å; Q940-I943 WeakPolarHBondContact O-CB 3.36Å; Q940-I943 PolarHBondContact O-N 2.78Å; E941-I943 PolarHBondContact O-N 3.31Å; I943-G946 PolarHBondContact O-N 2.87Å
944	E	39.6	Very low	32	Very low	167 Å²	167	126.2 Å²	126.2	78%	0.78	63%	0.628	S	S	*	*	H	α-helix	trans	-75.1	-29	-177.9	-64.6	-168.5	171.8	0	0	113.2	E941 G946	E941-E944 PolarHBondContact O-N 2.77Å; E944-G946 PolarHBondContact O-N 2.87Å
945	S	43.3	Very low	32.1	Very low	89 Å²	89	127.3 Å²	127.3	62%	0.622	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-5.5	176	67.5	0	0	0	0	114.6	E941 R942 D947	E941-S945 PolarHBondContact O-N 3.18Å; R942-S945 PolarHBondContact O-OG 2.91Å; S945-D947 VanDerWaalsContact C-N 3.32Å; S945-D947 PolarHBondContact O-N 3.23Å
946	G	32.4	Very low	32.1	Very low	51 Å²	51	131.2 Å²	131.2	53%	0.526	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	72	18.5	168.3	0	0	0	0	0	115.7	I943 E944 K948	I943-G946 PolarHBondContact O-N 2.87Å; E944-G946 PolarHBondContact O-N 2.87Å; G946-K948 PolarHBondContact O-N 3.39Å
947	D	34.1	Very low	32.2	Very low	99 Å²	99	132.1 Å²	132.1	53%	0.529	66%	0.663	S	S	.	*			trans	-68.2	118.2	-179.7	-163.4	-19.5	0	0	0	111.2	S945 S949	S945-D947 VanDerWaalsContact C-N 3.32Å; S945-D947 PolarHBondContact O-N 3.23Å; D947-S949 VanDerWaalsContact C-N 3.33Å; D947-S949 PolarHBondContact O-N 3.47Å; D947-S949 PolarHBondContact OD1-N 3.2Å; D947-S949 PolarHBondContact OD1-OG 2.89Å
948	K	37.7	Very low	32.7	Very low	202 Å²	202	132.3 Å²	132.3	88%	0.878	67%	0.671	S	S	*	*			trans	-89.7	7.2	-172	-74	-179.8	-179.3	171.4	0	113.9	G946 L950	G946-K948 PolarHBondContact O-N 3.39Å; K948-L950 PolarHBondContact O-N 3.22Å
949	S	34.1	Very low	32.7	Very low	95 Å²	95	137.9 Å²	137.9	66%	0.664	70%	0.697	S	S	*	*			trans	-79.8	46.3	-178.9	58.6	0	0	0	0	114.5	D947	D947-S949 VanDerWaalsContact C-N 3.33Å; D947-S949 PolarHBondContact O-N 3.47Å; D947-S949 PolarHBondContact OD1-N 3.2Å; D947-S949 PolarHBondContact OD1-OG 2.89Å
950	L	30.5	Very low	32.7	Very low	142 Å²	142	139.3 Å²	139.3	74%	0.743	71%	0.705	S	S	*	*			trans	-109.2	95.6	174.2	-86.6	168.4	0	0	0	112.6	K948 R952	K948-L950 PolarHBondContact O-N 3.22Å; L950-R952 PolarHBondContact O-N 3.05Å
951	N	31.3	Very low	32.5	Very low	155 Å²	155	144 Å²	144	83%	0.829	72%	0.719	S	S	*	*			trans	-62.2	117.6	155.9	-91.9	-27.9	0	0	0	108.3	L953	N951-L953 PolarHBondContact O-N 3.49Å
952	R	27	Very low	32.1	Very low	238 Å²	238	149.2 Å²	149.2	90%	0.898	74%	0.744	S	S	*	*			trans	-58.5	102	-176.9	-65.6	179.2	-176.4	171.5	1.2	111.1	L950 R954	L950-R952 PolarHBondContact O-N 3.05Å; R952-R954 PolarHBondContact O-N 2.88Å
953	L	27.9	Very low	31.7	Very low	167 Å²	167	154 Å²	154	87%	0.874	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-58.5	121.7	166.8	-69.4	172.2	0	0	0	108.5	N951	N951-L953 PolarHBondContact O-N 3.49Å
954	R	27.1	Very low	31.2	Very low	235 Å²	235	151.9 Å²	151.9	89%	0.887	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-70.1	134.4	175.7	-76.5	179.9	171.7	166.8	-2.2	108.8	R952 I956	R952-R954 PolarHBondContact O-N 2.88Å; R954-I956 PolarHBondContact O-N 2.98Å; R954-I956 VanDerWaalsContact O-N 3.1Å
955	L	28.1	Very low	30.6	Very low	159 Å²	159	150.5 Å²	150.5	83%	0.832	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-53.8	116.6	162.7	-111.1	75.2	0	0	0	108.8
956	I	27.9	Very low	29.9	Very low	151 Å²	151	154.2 Å²	154.2	77%	0.774	78%	0.784	S	S	*	*			trans	-83.7	111.2	166.5	-60.6	175.8	0	0	0	106	R954	R954-I956 PolarHBondContact O-N 2.98Å; R954-I956 VanDerWaalsContact O-N 3.1Å
957	N	26.7	Very low	29.7	Very low	114 Å²	114	158.2 Å²	158.2	61%	0.61	79%	0.793	S	S	*	*			trans	-69.2	136.9	177	-83.7	-24.3	0	0	0	109.9	I959	N957-I959 PolarHBondContact O-N 2.85Å
958	P	37.7	Very low	29.3	Very low	123 Å²	123	162.6 Å²	162.6	80%	0.799	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	55.5	-169.1	35.4	-37.6	0	0	0	112.8
959	I	31.6	Very low	28.7	Very low	146 Å²	146	162.6 Å²	162.6	75%	0.749	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	-20.2	174	-64.9	-179.7	0	0	0	111.9	N957 Y961	N957-I959 PolarHBondContact O-N 2.85Å; I959-Y961 PolarHBondContact O-N 3.45Å
960	D	27.4	Very low	28.6	Very low	145 Å²	145	163.2 Å²	163.2	78%	0.775	81%	0.809	S	S	*	*			trans	-82.3	60.9	180	-62.9	-23.1	0	0	0	112.7
961	Y	29.2	Very low	28.5	Very low	221 Å²	221	165.3 Å²	165.3	87%	0.867	82%	0.815	S	S	*	*			trans	-127.4	71.7	162.4	-95.7	-77.7	0	0	0	109.4	I959	I959-Y961 PolarHBondContact O-N 3.45Å
962	E	26	Very low	28.7	Very low	200 Å²	200	167.3 Å²	167.3	94%	0.935	81%	0.812	S	S	*	*			trans	-80.2	140.9	175.9	-159.2	167.3	-149.9	0	0	111.6	G964	E962-G964 PolarHBondContact O-N 2.85Å
963	Y	27.3	Very low	29	Very low	221 Å²	221	162.7 Å²	162.7	87%	0.867	81%	0.806	S	S	*	*			trans	-73.8	118.6	-161.1	-102.4	-115.5	0	0	0	114.6	T965	Y963-T965 PolarHBondContact O-N 3.07Å
964	G	28.4	Very low	29.6	Very low	70 Å²	70	162.8 Å²	162.8	72%	0.722	80%	0.795	S	S	*	*			trans	-81.1	103	161.4	0	0	0	0	0	111.9	E962 I966	E962-G964 PolarHBondContact O-N 2.85Å; G964-I966 PolarHBondContact O-N 3.46Å
965	T	26.4	Very low	30.4	Very low	138 Å²	138	156 Å²	156	85%	0.847	78%	0.781	S	S	*	*			trans	-37.8	123.8	-179.1	50.6	0	0	0	0	116.6	Y963	Y963-T965 PolarHBondContact O-N 3.07Å
966	I	29.1	Very low	31.2	Very low	167 Å²	167	151.3 Å²	151.3	86%	0.856	77%	0.77	S	S	*	*			trans	-89.9	122.1	168.7	-63.2	174.1	0	0	0	109.9	G964	G964-I966 PolarHBondContact O-N 3.46Å
967	D	28.7	Very low	32.2	Very low	135 Å²	135	149.3 Å²	149.3	72%	0.722	76%	0.761	S	S	*	*			trans	-84.9	120.4	177.9	-122.5	-31	0	0	0	113
968	K	26.4	Very low	33.8	Very low	191 Å²	191	148.6 Å²	148.6	83%	0.83	76%	0.76	S	S	*	*			trans	11	109.7	156.6	-62.6	164.4	-171.5	162.6	0	118.5
969	K	25	Very low	35	Very low	201 Å²	201	147.8 Å²	147.8	87%	0.874	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-103.4	152.7	150.5	-81.6	-178	177.7	176.2	0	110.7
970	P	30.4	Very low	36.4	Very low	108 Å²	108	143.1 Å²	143.1	70%	0.701	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-79.8	145.1	-161.4	30.5	-36.2	0	0	0	114.7
971	Q	29.1	Very low	38.1	Very low	187 Å²	187	141.6 Å²	141.6	87%	0.874	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-72.5	128.1	173.5	-69.7	173.2	-71.2	0	0	111.7
972	Y	35	Very low	40.3	Very low	196 Å²	196	134 Å²	134	77%	0.769	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-101.1	128.2	159.6	-83.4	-88.9	0	0	0	109.8	Y974	Y972-Y974 PolarHBondContact O-N 2.89Å
973	N	33.3	Very low	42.7	Very low	141 Å²	141	128.3 Å²	128.3	75%	0.754	69%	0.685	S	S	*	*			trans	-78	102.1	-175.9	-94.2	-30.8	0	0	0	112.2	T975	N973-T975 VanDerWaalsContact C-N 3.32Å; N973-T975 PolarHBondContact O-N 3.34Å
974	Y	41.7	Very low	45.1	Very low	169 Å²	169	120.9 Å²	120.9	66%	0.663	67%	0.665	S	S	*	*			trans	-89.9	20.9	174.4	-83.9	-83.1	0	0	0	114.5	Y972 G976 L977	Y972-Y974 PolarHBondContact O-N 2.89Å; Y974-G976 VanDerWaalsContact C-N 3.33Å; Y974-G976 PolarHBondContact O-N 2.9Å; Y974-L977 PolarHBondContact O-N 3.24Å
975	T	43.6	Very low	47.5	Very low	94 Å²	94	120.5 Å²	120.5	58%	0.577	66%	0.655	S	S	*	*	H	α-helix	trans	-63	-32.1	-172.9	49.7	0	0	0	0	114.1	N973 I979	N973-T975 VanDerWaalsContact C-N 3.32Å; N973-T975 PolarHBondContact O-N 3.34Å; T975-I979 WeakPolarHBondContact O-CD1 3.49Å; T975-I979 WeakPolarHBondContact O-CG1 3.45Å
976	G	45.6	Very low	50.2	Low	59 Å²	59	118.5 Å²	118.5	61%	0.608	64%	0.643	S	S	*	*	H	α-helix	trans	-69.3	-36.5	179.5	0	0	0	0	0	114.5	Y974 G980	Y974-G976 VanDerWaalsContact C-N 3.33Å; Y974-G976 PolarHBondContact O-N 2.9Å; G976-G980 PolarHBondContact O-N 3.09Å
977	L	48.4	Very low	52.9	Low	110 Å²	110	115.1 Å²	115.1	58%	0.576	63%	0.625	S	S	*	*	H	α-helix	trans	-79	-35.9	-171.7	-140.9	160.7	0	0	0	111.7	Y974 I979 G980 L981	Y974-L977 PolarHBondContact O-N 3.24Å; L977-I979 PolarHBondContact O-N 3.09Å; L977-G980 PolarHBondContact O-N 3.05Å; L977-L981 HydrophobicContact CD2-CD1 3.98Å; L977-L981 HydrophobicContact CD2-CG 4.39Å; L977-L981 PolarHBondContact O-N 3.2Å
978	V	59.6	Low	55.4	Low	98 Å²	98	114 Å²	114	59%	0.594	62%	0.618	S	S	*	*	H	α-helix	trans	-65.9	-36.1	175.9	-179.9	0	0	0	0	111.9	S982	V978-S982 PolarHBondContact O-N 3.45Å; V978-S982 VanDerWaalsContact O-N 3.12Å; V978-S982 PolarHBondContact O-OG 2.99Å
979	I	62.3	Low	58.1	Low	107 Å²	107	107 Å²	107	55%	0.549	60%	0.601	S	S	.	*	H	α-helix	trans	-67.3	-41.1	177.2	-64.4	168.6	0	0	0	110.9	T975 L977 L981 S982 V983	T975-I979 WeakPolarHBondContact O-CD1 3.49Å; T975-I979 WeakPolarHBondContact O-CG1 3.45Å; L977-I979 PolarHBondContact O-N 3.09Å; I979-L981 PolarHBondContact O-N 2.99Å; I979-S982 PolarHBondContact O-N 3.42Å; I979-S982 PolarHBondContact O-OG 2.98Å; I979-V983 WeakPolarHBondContact O-CG2 3.27Å; I979-V983 PolarHBondContact O-N 3.23Å
980	G	60.7	Low	61	Low	47 Å²	47	103 Å²	103	49%	0.485	59%	0.588	S	S	.	*	H	α-helix	trans	-61	-41.8	177.5	0	0	0	0	0	113.5	G976 L977 S984	G976-G980 PolarHBondContact O-N 3.09Å; L977-G980 PolarHBondContact O-N 3.05Å; G980-S984 PolarHBondContact O-N 3.05Å; G980-S984 PolarHBondContact O-OG 3.05Å
981	L	63.6	Low	63.6	Low	113 Å²	113	102.8 Å²	102.8	59%	0.592	58%	0.581	S	S	*	*	H	α-helix	trans	-73.1	-31.4	179.1	-68.6	172.5	0	0	0	113.4	L977 I979 S984 A985	L977-L981 HydrophobicContact CD2-CD1 3.98Å; L977-L981 HydrophobicContact CD2-CG 4.39Å; L977-L981 PolarHBondContact O-N 3.2Å; I979-L981 PolarHBondContact O-N 2.99Å; L981-S984 PolarHBondContact O-OG 2.9Å; L981-S984 VanDerWaalsContact O-OG 3.12Å; L981-A985 PolarHBondContact O-N 3.49Å
982	S	74.8	Confident	66.1	Low	62 Å²	62	98.3 Å²	98.3	43%	0.434	56%	0.562	S	S	.	*	H	α-helix	trans	-72	-38.8	177.5	68.3	0	0	0	0	112.3	V978 I979 V986	V978-S982 PolarHBondContact O-N 3.45Å; V978-S982 VanDerWaalsContact O-N 3.12Å; V978-S982 PolarHBondContact O-OG 2.99Å; I979-S982 PolarHBondContact O-N 3.42Å; I979-S982 PolarHBondContact O-OG 2.98Å; S982-V986 WeakPolarHBondContact O-CG2 3.36Å; S982-V986 PolarHBondContact O-N 3.29Å
983	V	77.4	Confident	68.3	Low	81 Å²	81	90.8 Å²	90.8	49%	0.491	54%	0.544	S	S	.	.	H	α-helix	trans	-67.7	-42	179.2	174.6	0	0	0	0	111.8	I979 V986 I987	I979-V983 WeakPolarHBondContact O-CG2 3.27Å; I979-V983 PolarHBondContact O-N 3.23Å; V983-V986 PolarHBondContact O-N 3.1Å; V983-I987 HydrophobicContact CG1-CD1 3.94Å; V983-I987 WeakPolarHBondContact O-CG1 3.43Å; V983-I987 PolarHBondContact O-N 2.82Å; V983-I987 VanDerWaalsContact O-N 3.15Å
984	S	77	Confident	70.5	Confident	64 Å²	64	88 Å²	88	45%	0.448	53%	0.532	S	S	.	.	H	α-helix	trans	-65.7	-39.6	178.9	59	0	0	0	0	112.6	G980 L981 V986 I987 L988	G980-S984 PolarHBondContact O-N 3.05Å; G980-S984 PolarHBondContact O-OG 3.05Å; L981-S984 PolarHBondContact O-OG 2.9Å; L981-S984 VanDerWaalsContact O-OG 3.12Å; S984-V986 PolarHBondContact O-N 2.87Å; S984-I987 PolarHBondContact O-N 3.43Å; S984-L988 PolarHBondContact O-N 3.4Å
985	A	79.4	Confident	72	Confident	63 Å²	63	83.1 Å²	83.1	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-62.2	-40.7	175.4	0	0	0	0	0	112.8	L981 L988 G989	L981-A985 PolarHBondContact O-N 3.49Å; A985-L988 PolarHBondContact O-N 2.87Å; A985-G989 PolarHBondContact O-N 2.85Å
986	V	82.4	Confident	73.6	Confident	96 Å²	96	82.9 Å²	82.9	58%	0.582	52%	0.517	S	S	*	.	H	α-helix	trans	-66	-41.9	177.6	171.9	0	0	0	0	111.6	S982 V983 S984 G989 L990	S982-V986 WeakPolarHBondContact O-CG2 3.36Å; S982-V986 PolarHBondContact O-N 3.29Å; V983-V986 PolarHBondContact O-N 3.1Å; S984-V986 PolarHBondContact O-N 2.87Å; V986-G989 PolarHBondContact O-N 3Å; V986-L990 HydrophobicContact CG1-CD1 4.28Å; V986-L990 WeakPolarHBondContact O-CG 3.25Å; V986-L990 PolarHBondContact O-N 2.83Å
987	I	85.9	Confident	75.2	Confident	95 Å²	95	87.8 Å²	87.8	49%	0.487	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-44.2	177	-66	166.3	0	0	0	110.7	V983 S984 G989 L990 L991	V983-I987 HydrophobicContact CG1-CD1 3.94Å; V983-I987 WeakPolarHBondContact O-CG1 3.43Å; V983-I987 PolarHBondContact O-N 2.82Å; V983-I987 VanDerWaalsContact O-N 3.15Å; S984-I987 PolarHBondContact O-N 3.43Å; I987-G989 PolarHBondContact O-N 3.36Å; I987-L990 PolarHBondContact O-N 2.77Å; I987-L991 HydrophobicContact CG2-CD1 4.27Å; I987-L991 WeakPolarHBondContact O-CG 3.24Å; I987-L991 PolarHBondContact O-N 3.32Å; I987-L991 VanDerWaalsContact O-N 3.11Å
988	L	82.3	Confident	76.5	Confident	111 Å²	111	90 Å²	90	58%	0.581	52%	0.519	S	S	*	.	H	α-helix	trans	-62.3	-43.3	177.8	-152.1	83	0	0	0	111.6	S984 A985 L990 L991 I992	S984-L988 PolarHBondContact O-N 3.4Å; A985-L988 PolarHBondContact O-N 2.87Å; L988-L990 VanDerWaalsContact C-N 3.34Å; L988-L990 PolarHBondContact O-N 2.99Å; L988-L991 PolarHBondContact O-N 3.18Å; L988-I992 HydrophobicContact CD2-CD1 4.36Å; L988-I992 HydrophobicContact CG-CD1 4.27Å; L988-I992 WeakPolarHBondContact O-CG1 3.5Å; L988-I992 PolarHBondContact O-N 2.99Å
989	G	81.9	Confident	77	Confident	44 Å²	44	91.1 Å²	91.1	45%	0.454	52%	0.52	S	S	.	.	H	α-helix	trans	-60.9	-38.3	176	0	0	0	0	0	113.4	A985 V986 I987 G993	A985-G989 PolarHBondContact O-N 2.85Å; V986-G989 PolarHBondContact O-N 3Å; I987-G989 PolarHBondContact O-N 3.36Å; G989-G993 PolarHBondContact O-N 2.86Å
990	L	86.5	Confident	77	Confident	117 Å²	117	96.1 Å²	96.1	61%	0.613	53%	0.532	S	S	*	.	H	α-helix	trans	-67.1	-41.7	175.4	-73.5	170.8	0	0	0	112.3	V986 I987 L988 G993 T994	V986-L990 HydrophobicContact CG1-CD1 4.28Å; V986-L990 WeakPolarHBondContact O-CG 3.25Å; V986-L990 PolarHBondContact O-N 2.83Å; I987-L990 PolarHBondContact O-N 2.77Å; L988-L990 VanDerWaalsContact C-N 3.34Å; L988-L990 PolarHBondContact O-N 2.99Å; L990-G993 PolarHBondContact O-N 2.87Å; L990-T994 WeakPolarHBondContact O-CG2 3.28Å; L990-T994 PolarHBondContact O-N 2.86Å; L990-T994 PolarHBondContact O-OG1 2.92Å
991	L	85.1	Confident	77.1	Confident	105 Å²	105	100.7 Å²	100.7	55%	0.55	54%	0.539	S	S	.	.	H	α-helix	trans	-66.8	-38.6	177.8	-69.7	171.8	0	0	0	112.7	I987 L988 T994 S995	I987-L991 HydrophobicContact CG2-CD1 4.27Å; I987-L991 WeakPolarHBondContact O-CG 3.24Å; I987-L991 PolarHBondContact O-N 3.32Å; I987-L991 VanDerWaalsContact O-N 3.11Å; L988-L991 PolarHBondContact O-N 3.18Å; L991-T994 PolarHBondContact O-OG1 2.82Å; L991-T994 VanDerWaalsContact O-OG1 3.08Å; L991-S995 WeakPolarHBondContact O-CB 3.4Å; L991-S995 PolarHBondContact O-N 2.84Å; L991-S995 VanDerWaalsContact O-N 3.16Å; L991-S995 PolarHBondContact O-OG 3.05Å
992	I	82	Confident	76.3	Confident	92 Å²	92	100.8 Å²	100.8	47%	0.472	54%	0.54	S	S	.	.	H	α-helix	trans	-67.1	-42.1	172.8	-65.8	165.3	0	0	0	109.8	L988 S995 I996	L988-I992 HydrophobicContact CD2-CD1 4.36Å; L988-I992 HydrophobicContact CG-CD1 4.27Å; L988-I992 WeakPolarHBondContact O-CG1 3.5Å; L988-I992 PolarHBondContact O-N 2.99Å; I992-S995 PolarHBondContact O-N 3.27Å; I992-I996 HydrophobicContact CG2-CD1 3.66Å; I992-I996 HydrophobicContact CG2-CG1 4.35Å; I992-I996 WeakPolarHBondContact O-CB 3.45Å; I992-I996 VanDerWaalsContact O-CG1 3.31Å; I992-I996 WeakPolarHBondContact O-CG1 3.29Å; I992-I996 PolarHBondContact O-N 2.93Å
993	G	80.5	Confident	74.6	Confident	38 Å²	38	106.9 Å²	106.9	39%	0.392	56%	0.559	S	S	.	*	H	α-helix	trans	-60.2	-46	177.6	0	0	0	0	0	113.8	G989 L990 W997	G989-G993 PolarHBondContact O-N 2.86Å; L990-G993 PolarHBondContact O-N 2.87Å; G993-W997 VanDerWaalsContact O-CB 3.3Å; G993-W997 WeakPolarHBondContact O-CB 3.04Å; G993-W997 PolarHBondContact O-N 2.75Å
994	T	80.3	Confident	72.6	Confident	84 Å²	84	108.8 Å²	108.8	52%	0.515	57%	0.572	S	S	.	*	H	α-helix	trans	-67.1	-39.1	176.7	53.6	0	0	0	0	112	L990 L991 W997 Y998	L990-T994 WeakPolarHBondContact O-CG2 3.28Å; L990-T994 PolarHBondContact O-N 2.86Å; L990-T994 PolarHBondContact O-OG1 2.92Å; L991-T994 PolarHBondContact O-OG1 2.82Å; L991-T994 VanDerWaalsContact O-OG1 3.08Å; T994-W997 PolarHBondContact O-N 2.96Å; T994-Y998 WeakPolarHBondContact O-CB 3.41Å; T994-Y998 PolarHBondContact O-N 2.97Å
995	S	73.7	Confident	70.3	Confident	65 Å²	65	113.6 Å²	113.6	46%	0.455	59%	0.588	S	S	.	*	H	α-helix	trans	-62.1	-47.5	175.7	-58.2	0	0	0	0	111.7	L991 I992 W997 Y998 I999	L991-S995 WeakPolarHBondContact O-CB 3.4Å; L991-S995 PolarHBondContact O-N 2.84Å; L991-S995 VanDerWaalsContact O-N 3.16Å; L991-S995 PolarHBondContact O-OG 3.05Å; I992-S995 PolarHBondContact O-N 3.27Å; S995-W997 PolarHBondContact O-N 3.37Å; S995-Y998 PolarHBondContact O-N 3.4Å; S995-I999 WeakPolarHBondContact O-CD1 3.39Å; S995-I999 VanDerWaalsContact O-CG1 3.29Å; S995-I999 WeakPolarHBondContact O-CG1 3.33Å; S995-I999 PolarHBondContact O-N 3.3Å
996	I	75.5	Confident	68.3	Low	89 Å²	89	119.7 Å²	119.7	46%	0.456	61%	0.605	S	S	.	*	H	α-helix	trans	-64.5	-39.4	176.2	-68.2	170.9	0	0	0	111.2	I992 I999 R1000	I992-I996 HydrophobicContact CG2-CD1 3.66Å; I992-I996 HydrophobicContact CG2-CG1 4.35Å; I992-I996 WeakPolarHBondContact O-CB 3.45Å; I992-I996 VanDerWaalsContact O-CG1 3.31Å; I992-I996 WeakPolarHBondContact O-CG1 3.29Å; I992-I996 PolarHBondContact O-N 2.93Å; I996-I999 PolarHBondContact O-N 3.35Å; I996-R1000 WeakPolarHBondContact O-CB 3.49Å; I996-R1000 PolarHBondContact O-N 3.26Å
997	W	79.1	Confident	65.8	Low	163 Å²	163	121.5 Å²	121.5	62%	0.617	61%	0.607	S	S	*	*	H	α-helix	trans	-64.3	-42	177.2	-176.7	84.5	0	0	0	112.2	G993 T994 S995 R1000 K1001	G993-W997 VanDerWaalsContact O-CB 3.3Å; G993-W997 WeakPolarHBondContact O-CB 3.04Å; G993-W997 PolarHBondContact O-N 2.75Å; T994-W997 PolarHBondContact O-N 2.96Å; S995-W997 PolarHBondContact O-N 3.37Å; W997-R1000 PolarHBondContact O-N 2.92Å; W997-K1001 HydrophobicContact CH2-CD 4.29Å; W997-K1001 HydrophobicContact CZ2-CD 4.39Å; W997-K1001 PolarHBondContact O-N 2.95Å
998	Y	76.8	Confident	62.9	Low	155 Å²	155	124.9 Å²	124.9	61%	0.608	62%	0.618	S	S	*	*	H	α-helix	trans	-63	-47.2	176	-168.5	-99.3	0	0	0	111.6	T994 S995 R1000 K1001	T994-Y998 WeakPolarHBondContact O-CB 3.41Å; T994-Y998 PolarHBondContact O-N 2.97Å; S995-Y998 PolarHBondContact O-N 3.4Å; Y998-R1000 VanDerWaalsContact C-N 3.31Å; Y998-R1000 PolarHBondContact O-N 3.47Å; Y998-K1001 PolarHBondContact O-N 3.07Å
999	I	70.7	Confident	60.4	Low	123 Å²	123	128.8 Å²	128.8	63%	0.631	63%	0.631	S	S	*	*	H	α-helix	trans	-60.3	-40.2	176	-67.1	164.3	0	0	0	111.1	S995 I996 K1001 N1002	S995-I999 WeakPolarHBondContact O-CD1 3.39Å; S995-I999 VanDerWaalsContact O-CG1 3.29Å; S995-I999 WeakPolarHBondContact O-CG1 3.33Å; S995-I999 PolarHBondContact O-N 3.3Å; I996-I999 PolarHBondContact O-N 3.35Å; I999-K1001 VanDerWaalsContact C-N 3.28Å; I999-K1001 PolarHBondContact O-N 2.71Å; I999-N1002 PolarHBondContact O-N 2.97Å
1000	R	61.6	Low	58.2	Low	211 Å²	211	131.5 Å²	131.5	80%	0.796	64%	0.64	S	S	*	*	H	α-helix	trans	-67.8	-22.3	179.1	-106.9	-176.8	169.3	135.2	1	114.6	I996 W997 Y998	I996-R1000 WeakPolarHBondContact O-CB 3.49Å; I996-R1000 PolarHBondContact O-N 3.26Å; W997-R1000 PolarHBondContact O-N 2.92Å; Y998-R1000 VanDerWaalsContact C-N 3.31Å; Y998-R1000 PolarHBondContact O-N 3.47Å
1001	K	63.6	Low	55.4	Low	144 Å²	144	132.3 Å²	132.3	63%	0.626	65%	0.65	S	S	*	*	H	α-helix	trans	-78.2	-22.2	-179.9	-127.2	-176	-179.9	-174.8	0	113.4	W997 Y998 I999	W997-K1001 HydrophobicContact CH2-CD 4.29Å; W997-K1001 HydrophobicContact CZ2-CD 4.39Å; W997-K1001 PolarHBondContact O-N 2.95Å; Y998-K1001 PolarHBondContact O-N 3.07Å; I999-K1001 VanDerWaalsContact C-N 3.28Å; I999-K1001 PolarHBondContact O-N 2.71Å
1002	N	45.4	Very low	52.8	Low	114 Å²	114	138 Å²	138	61%	0.61	67%	0.665	S	S	*	*	S	Bend	trans	-118.8	48.3	-167.4	-75.8	1.5	0	0	0	114.3	I999	I999-N1002 PolarHBondContact O-N 2.97Å
1003	K	39.8	Very low	50	Low	191 Å²	191	143.7 Å²	143.7	83%	0.83	68%	0.68	S	S	*	*			trans	-133	143	159.4	-88.4	-167.2	174.1	-178	0	113.5
1004	P	35.7	Very low	47.6	Very low	120 Å²	120	153.2 Å²	153.2	78%	0.779	70%	0.704	S	S	*	*			trans	-82.5	166.9	-168.2	-7.2	27	0	0	0	113.4
1005	Q	28.9	Very low	44.8	Very low	165 Å²	165	157.7 Å²	157.7	77%	0.771	71%	0.711	S	S	*	*			trans	-74.2	127.9	-178.5	-58.4	-174.9	9.3	0	0	112.3
1006	H	35.9	Very low	42.5	Very low	191 Å²	191	163.7 Å²	163.7	88%	0.884	73%	0.73	S	S	*	*			trans	-111.5	137.3	152	-84.6	-80.2	0	0	0	110.2
1007	H	30.4	Very low	40.2	Very low	134 Å²	134	163.6 Å²	163.6	62%	0.62	74%	0.742	S	S	*	*			trans	-89.5	142.4	-168.6	-87.2	-36.4	0	0	0	113.4
1008	K	25.2	Very low	37.7	Very low	167 Å²	167	161.6 Å²	161.6	73%	0.726	75%	0.753	S	S	*	*			trans	52.5	126.7	133.3	-67.3	171.2	-178.2	168.3	0	117
1009	K	29.6	Very low	35.4	Very low	193 Å²	193	162.8 Å²	162.8	84%	0.839	76%	0.764	S	S	*	*				-169	-178.1	51.5	-119.4	167.1	179.8	-175.7	0	109.4
1010	P	36.1	Very low	33.4	Very low	101 Å²	101	163 Å²	163	66%	0.656	77%	0.773	S	S	*	*			trans	-131.9	-170.4	-130.1	35.7	-12.2	0	0	0	116.4
1011	T	27.1	Very low	31.8	Very low	134 Å²	134	156.9 Å²	156.9	82%	0.822	77%	0.768	S	S	*	*			trans	83.1	143.2	170.4	79.8	0	0	0	0	115.2
1012	R	30	Very low	30	Very low	225 Å²	225	157.1 Å²	157.1	85%	0.849	78%	0.776	S	S	*	*			cis	-143.2	123.7	7.1	-155.4	176.4	-168.9	176.2	4.1	110.2
1013	R	23.2	Very low	29.1	Very low	210 Å²	210	161.2 Å²	161.2	79%	0.792	79%	0.789	S	S	*	*			trans	-74.2	137.5	169.3	-77.6	179	171.9	169.5	-1.9	110
1014	R	30.1	Very low	28.3	Very low	239 Å²	239	155.2 Å²	155.2	90%	0.902	78%	0.781	S	S	*	*			trans	-122.9	115.7	145.5	-85	-172	170.9	-178.8	-2.5	108.7
1015	R	22.5	Very low	27.9	Very low	177 Å²	177	152.7 Å²	152.7	67%	0.668	78%	0.777	S	S	*	*			trans	-89.1	145.2	155.1	-64.6	173.1	175.4	170.9	-5.8	106
1016	F	25.9	Very low	27.8	Very low	192 Å²	192	150.2 Å²	150.2	84%	0.842	78%	0.778	S	S	*	*				172.7	156.9	103.4	-103.6	-74.7	0	0	0	113.3
1017	A	26.1	Very low	27.4	Very low	87 Å²	87	147.3 Å²	147.3	72%	0.719	77%	0.769	S	S	*	*			trans	64.1	93.9	153.6	0	0	0	0	0	118.6	Q1019	A1017-Q1019 PolarHBondContact O-N 3.06Å
1018	S	27.1	Very low	27.4	Very low	120 Å²	120	149.3 Å²	149.3	84%	0.839	78%	0.783	S	S	*	*			trans	-62.1	105.9	144	50.2	0	0	0	0	111.2
1019	Q	28.3	Very low	27.7	Very low	180 Å²	180	150.7 Å²	150.7	84%	0.841	79%	0.789	S	S	*	*			trans	-167.4	127.8	144.6	-109.5	166.9	1.9	0	0	108	A1017	A1017-Q1019 PolarHBondContact O-N 3.06Å
1020	P	30	Very low	27.7	Very low	127 Å²	127	147.1 Å²	147.1	83%	0.825	78%	0.784	S	S	*	*			trans	-69.1	135.3	-178.7	28.4	-33.3	0	0	0	110.2	D1022	P1020-D1022 PolarHBondContact O-N 2.86Å
1021	A	26.3	Very low	27.3	Very low	83 Å²	83	147 Å²	147	69%	0.686	78%	0.778	S	S	*	*			trans	-69.1	118.1	171.7	0	0	0	0	0	109.3	F1023	A1021-F1023 PolarHBondContact O-N 2.95Å
1022	D	25.8	Very low	27.6	Very low	149 Å²	149	146.5 Å²	146.5	80%	0.797	78%	0.776	S	S	*	*			trans	-57.8	110.4	167.6	-179.5	11.2	0	0	0	109.6	P1020 G1024	P1020-D1022 PolarHBondContact O-N 2.86Å; D1022-G1024 PolarHBondContact O-N 3.39Å; D1022-G1024 PolarHBondContact OD1-N 3.27Å
1023	F	27.7	Very low	27.5	Very low	201 Å²	201	141 Å²	141	88%	0.882	77%	0.768	S	S	*	*			trans	-79.8	63.1	169.1	-84.4	-77.8	0	0	0	110.1	A1021 G1025	A1021-F1023 PolarHBondContact O-N 2.95Å; F1023-G1025 VanDerWaalsContact C-N 3.3Å; F1023-G1025 PolarHBondContact O-N 3.3Å
1024	G	23.3	Very low	27.6	Very low	65 Å²	65	138.2 Å²	138.2	67%	0.67	77%	0.768	S	S	*	*			trans	-61.5	90.5	163.3	0	0	0	0	0	110	D1022	D1022-G1024 PolarHBondContact O-N 3.39Å; D1022-G1024 PolarHBondContact OD1-N 3.27Å
1025	G	26.3	Very low	27.2	Very low	66 Å²	66	137.9 Å²	137.9	68%	0.68	77%	0.767	S	S	*	*			trans	-115	30.7	-173.2	0	0	0	0	0	114.2	F1023 N1027	F1023-G1025 VanDerWaalsContact C-N 3.3Å; F1023-G1025 PolarHBondContact O-N 3.3Å; G1025-N1027 VanDerWaalsContact C-N 3.3Å; G1025-N1027 PolarHBondContact O-N 3.43Å
1026	S	26.9	Very low	27.3	Very low	113 Å²	113	137.2 Å²	137.2	79%	0.79	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	82.5	177.4	57.6	0	0	0	0	111.4
1027	N	28.4	Very low	27.2	Very low	131 Å²	131	132.8 Å²	132.8	70%	0.701	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.4	9.8	169.8	-107.4	-16.8	0	0	0	117.1	G1025 K1029 T1030	G1025-N1027 VanDerWaalsContact C-N 3.3Å; G1025-N1027 PolarHBondContact O-N 3.43Å; N1027-K1029 PolarHBondContact O-N 2.72Å; N1027-T1030 PolarHBondContact O-OG1 3.33Å
1028	L	30.3	Very low	27	Very low	176 Å²	176	134.9 Å²	134.9	92%	0.921	77%	0.768	S	S	*	*			trans	-79.3	48.2	161.5	-88	146.7	0	0	0	111.3
1029	K	29.9	Very low	26.7	Very low	196 Å²	196	136.7 Å²	136.7	85%	0.852	77%	0.769	S	S	*	*			trans	-108.8	19.1	176.3	-146.9	178.6	-174.3	-178.8	0	111.3	N1027	N1027-K1029 PolarHBondContact O-N 2.72Å
1030	T	30.9	Very low	27.1	Very low	118 Å²	118	133.2 Å²	133.2	72%	0.724	76%	0.762	S	S	*	*			trans	-138.2	20.2	-170.1	49.1	0	0	0	0	113.6	N1027 P1032	N1027-T1030 PolarHBondContact O-OG1 3.33Å; T1030-P1032 WeakPolarHBondContact O-CD 3.38Å
1031	D	27.7	Very low	26.7	Very low	99 Å²	99	132.9 Å²	132.9	53%	0.529	76%	0.757	S	S	.	*			trans	-95.9	106.8	156.6	-165.8	-34.4	0	0	0	108.6	T1033	D1031-T1033 PolarHBondContact O-N 3.15Å; D1031-T1033 WeakPolarHBondContact OD1-CB 2.95Å; D1031-T1033 WeakPolarHBondContact OD1-CG2 3.09Å; D1031-T1033 PolarHBondContact OD1-N 3.08Å; D1031-T1033 VanDerWaalsContact OD1-N 3.1Å; D1031-T1033 PolarHBondContact OD1-OG1 3.43Å
1032	P	32.1	Very low	26.7	Very low	122 Å²	122	136.7 Å²	136.7	79%	0.792	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-80.6	5.5	-174	34	-35.9	0	0	0	113.8	T1030 L1034	T1030-P1032 WeakPolarHBondContact O-CD 3.38Å; P1032-L1034 VanDerWaalsContact C-N 3.31Å; P1032-L1034 PolarHBondContact O-N 3.49Å
1033	T	27.7	Very low	26.6	Very low	110 Å²	110	136.6 Å²	136.6	68%	0.675	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-75.7	-14.8	179.4	56.9	0	0	0	0	114.2	D1031	D1031-T1033 PolarHBondContact O-N 3.15Å; D1031-T1033 WeakPolarHBondContact OD1-CB 2.95Å; D1031-T1033 WeakPolarHBondContact OD1-CG2 3.09Å; D1031-T1033 PolarHBondContact OD1-N 3.08Å; D1031-T1033 VanDerWaalsContact OD1-N 3.1Å; D1031-T1033 PolarHBondContact OD1-OG1 3.43Å
1034	L	25.6	Very low	26.3	Very low	151 Å²	151	134.7 Å²	134.7	79%	0.791	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-133.7	51.2	-171.1	-82	165.7	0	0	0	115	P1032	P1032-L1034 VanDerWaalsContact C-N 3.31Å; P1032-L1034 PolarHBondContact O-N 3.49Å
1035	R	23.4	Very low	26.2	Very low	232 Å²	232	141 Å²	141	88%	0.875	78%	0.776	S	S	*	*			trans	-179.5	106.9	145.7	-104.7	163.1	-177.3	-176.9	2.4	114.5
1036	L	23.7	Very low	26	Very low	163 Å²	163	144.8 Å²	144.8	85%	0.853	78%	0.779	S	S	*	*			trans	-146.3	96.3	146.7	-87.1	164.5	0	0	0	105.1
1037	T	22.9	Very low	25.6	Very low	100 Å²	100	147.8 Å²	147.8	61%	0.613	78%	0.783	S	S	*	*				44.6	103.4	88.8	67.2	0	0	0	0	114.1
1038	T	22.8	Very low	25.2	Very low	130 Å²	130	145.9 Å²	145.9	80%	0.798	78%	0.78	S	S	*	*			trans	32.9	104.2	132.6	56.3	0	0	0	0	117.9
1039	N	21.3	Very low	24.7	Very low	159 Å²	159	144.5 Å²	144.5	85%	0.85	77%	0.771	S	S	*	*			trans	-166.2	152.7	151.9	-108	-12.3	0	0	0	109
1040	P	35.8	Very low	24.4	Very low	107 Å²	107	143.7 Å²	143.7	70%	0.695	77%	0.767	S	S	*	*			cis	-127.1	179.8	-44.8	35.3	-19.5	0	0	0	111.6
1041	V	22.2	Very low	23.9	Very low	119 Å²	119	146 Å²	146	72%	0.721	77%	0.772	S	S	*	*			trans	8.2	117.8	151.3	-176	0	0	0	0	117.4
1042	N	26.1	Very low	23.6	Very low	164 Å²	164	148.4 Å²	148.4	88%	0.877	79%	0.785	S	S	*	*			trans	-146.4	118.5	131.9	-101.5	-21.2	0	0	0	108.8	L1044	N1042-L1044 PolarHBondContact O-N 2.86Å
1043	D	22.6	Very low	23.2	Very low	147 Å²	147	148.1 Å²	148.1	79%	0.786	79%	0.786	S	S	*	*			trans	-63.5	126.5	164.4	-75.2	-53.8	0	0	0	109.2
1044	L	22.7	Very low	22.9	Very low	160 Å²	160	150.7 Å²	150.7	84%	0.838	79%	0.792	S	S	*	*			trans	-154.1	69.2	145.7	-139.1	96.8	0	0	0	111.6	N1042 L1046	N1042-L1044 PolarHBondContact O-N 2.86Å; L1044-L1046 PolarHBondContact O-N 3.43Å
1045	Q	21.1	Very low	22.9	Very low	198 Å²	198	151.7 Å²	151.7	93%	0.925	79%	0.792	S	S	*	*			trans	-71.7	102.8	149.8	-76.8	-170.8	-6.6	0	0	108.2
1046	L	22.1	Very low	22.8	Very low	145 Å²	145	143.8 Å²	143.8	76%	0.759	78%	0.783	S	S	*	*			trans	-133.8	100.4	156	-160.2	71.6	0	0	0	109.7	L1044	L1044-L1046 PolarHBondContact O-N 3.43Å
1047	M	18.9	Very low	22.8	Very low	177 Å²	177	143 Å²	143	87%	0.872	78%	0.778	S	S	*	*			trans	-65.9	155.9	162.1	-78.2	-170.7	171.7	0	0	110.5
1048	S	19.7	Very low	22.7	Very low	91 Å²	91	144.5 Å²	144.5	64%	0.636	78%	0.782	S	S	*	*			trans	71.6	143.5	173.1	86.1	0	0	0	0	113.3
1049	M	20.1	Very low	22.7	Very low	147 Å²	147	148.6 Å²	148.6	72%	0.724	79%	0.785	S	S	*	*			cis	-150.1	169.8	29	-73.3	-167.2	-166.4	0	0	109.2
1050	K	22	Very low	22.7	Very low	178 Å²	178	145.7 Å²	145.7	77%	0.774	78%	0.777	S	S	*	*			cis	-166.7	174.8	-7.2	-116.1	170.2	-175.9	165.1	0	108.4
1051	M	21	Very low	22.1	Very low	166 Å²	166	146.3 Å²	146.3	82%	0.818	78%	0.778	S	S	*	*	S	Bend	trans	-57	142.6	157.7	-64.5	165.2	104.4	0	0	112.2
1052	N	21.8	Very low	22.2	Very low	150 Å²	150	148.6 Å²	148.6	80%	0.802	78%	0.781	S	S	*	*			trans	45.6	106.8	150.1	-58.2	-5.9	0	0	0	119.7
1053	S	24.2	Very low	22.1	Very low	117 Å²	117	145.5 Å²	145.5	82%	0.818	77%	0.772	S	S	*	*				-166.9	132.5	104.4	64.3	0	0	0	0	114.1
1054	M	21.5	Very low	22.1	Very low	163 Å²	163	144.7 Å²	144.7	80%	0.803	77%	0.772	S	S	*	*			trans	16.6	145	145	-106.3	163.3	151.7	0	0	123.5
1055	H	24.8	Very low	22.3	Very low	172 Å²	172	142.7 Å²	142.7	80%	0.796	77%	0.769	S	S	*	*			trans	78.9	114.9	159.6	-67	-61.2	0	0	0	119.8
1056	G	22.4	Very low	22.5	Very low	66 Å²	66	139.7 Å²	139.7	68%	0.68	77%	0.765	S	S	*	*				133.4	86.2	105.6	0	0	0	0	0	118.2
1057	I	22.3	Very low	22.6	Very low	148 Å²	148	143 Å²	143	76%	0.759	77%	0.767	S	S	*	*			trans	59.6	118.3	135.4	-60.1	169.9	0	0	0	118.4
1058	D	20.7	Very low	23.1	Very low	130 Å²	130	142.3 Å²	142.3	70%	0.695	77%	0.767	S	S	*	*			trans	28.5	133.8	142.1	-56.1	-41.8	0	0	0	120.7
1059	Y	24.3	Very low	23.3	Very low	217 Å²	217	145.1 Å²	145.1	85%	0.851	77%	0.77	S	S	*	*				-158.6	139.6	92.5	-95.3	-70.6	0	0	0	112.9
1060	S	20.1	Very low	23.4	Very low	97 Å²	97	143.7 Å²	143.7	68%	0.678	77%	0.773	S	S	*	*			trans	-58.8	158.8	168	55.1	0	0	0	0	114.3
1061	V	23.5	Very low	23.5	Very low	120 Å²	120	142.8 Å²	142.8	73%	0.727	78%	0.775	S	S	*	*				-165.9	125.6	126.4	133.7	0	0	0	0	113.9
1062	H	24	Very low	23.7	Very low	167 Å²	167	144.9 Å²	144.9	77%	0.773	78%	0.775	S	S	*	*			trans	66.1	115.9	152.1	-61.4	-23.2	0	0	0	126.1
1063	S	23.8	Very low	23.6	Very low	100 Å²	100	142.7 Å²	142.7	70%	0.699	77%	0.772	S	S	*	*				81.5	96.3	124.5	66.9	0	0	0	0	122.3
1064	T	23.2	Very low	23.6	Very low	129 Å²	129	142.9 Å²	142.9	79%	0.791	77%	0.77	S	S	*	*				11	149.2	124.2	56.1	0	0	0	0	120
1065	P	26.7	Very low	23.8	Very low	118 Å²	118	140.3 Å²	140.3	77%	0.766	77%	0.765	S	S	*	*			cis	-118.8	-166.8	23.2	43.8	-31.6	0	0	0	112.7
1066	T	25.9	Very low	23.7	Very low	136 Å²	136	140.3 Å²	140.3	83%	0.834	77%	0.77	S	S	*	*			cis	-144.2	177.7	12.6	-12.8	0	0	0	0	111.3
1067	R	23.8	Very low	23.8	Very low	215 Å²	215	142.8 Å²	142.8	81%	0.811	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-82.5	120.9	174.9	-77.2	169.1	159	165.6	-8	112.6
1068	N	28.3	Very low	23.8	Very low	162 Å²	162	141.9 Å²	141.9	87%	0.866	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-99.5	128.7	147.6	-80.6	-7.6	0	0	0	108	C1070	N1068-C1070 PolarHBondContact O-N 3.24Å
1069	H	25.4	Very low	24	Very low	150 Å²	150	144 Å²	144	69%	0.694	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-79.3	119.8	177.5	-85	53.8	0	0	0	110.2	I1071	H1069-I1071 PolarHBondContact O-N 2.86Å
1070	C	21.1	Very low	23.9	Very low	116 Å²	116	144.7 Å²	144.7	78%	0.784	78%	0.781	S	S	*	*			trans	-74.2	113.6	158.1	-57.2	0	0	0	0	107.8	N1068	N1068-C1070 PolarHBondContact O-N 3.24Å
1071	I	25	Very low	24.1	Very low	160 Å²	160	146.1 Å²	146.1	82%	0.821	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-90.3	125.6	164.4	-66.1	178.5	0	0	0	107.1	H1069	H1069-I1071 PolarHBondContact O-N 2.86Å
1072	Y	24.6	Very low	24.2	Very low	209 Å²	209	146.8 Å²	146.8	82%	0.82	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-69.4	141.1	-172.6	-84.7	-110.5	0	0	0	112.3
1073	S	19.7	Very low	24.3	Very low	105 Å²	105	144.5 Å²	144.5	73%	0.734	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-72.3	132.5	149.7	42.9	0	0	0	0	109.6
1074	P	24.9	Very low	24.3	Very low	120 Å²	120	148.4 Å²	148.4	78%	0.779	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-69.5	149	170.1	-15.7	30.4	0	0	0	111.1
1075	P	24.7	Very low	24.4	Very low	109 Å²	109	150 Å²	150	71%	0.708	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-81.3	143.2	-175.1	32.2	-34.9	0	0	0	113.4	T1077	P1075-T1077 PolarHBondContact O-N 3.46Å
1076	L	23.6	Very low	24.1	Very low	173 Å²	173	151.9 Å²	151.9	91%	0.906	80%	0.796	S	S	*	*			trans	-67.9	89	164.4	-75	163.6	0	0	0	110.4	T1078	L1076-T1078 PolarHBondContact O-N 3.03Å
1077	T	23.6	Very low	24.1	Very low	118 Å²	118	151.9 Å²	151.9	72%	0.724	80%	0.796	S	S	*	*			trans	-75.1	93.9	169.1	46.8	0	0	0	0	110.5	P1075 Q1079	P1075-T1077 PolarHBondContact O-N 3.46Å; T1077-Q1079 VanDerWaalsContact C-N 3.28Å; T1077-Q1079 PolarHBondContact O-N 3.08Å
1078	T	23.6	Very low	24.1	Very low	128 Å²	128	146.9 Å²	146.9	79%	0.785	79%	0.791	S	S	*	*			trans	-68.8	77.7	170.6	46.5	0	0	0	0	111.5	L1076 R1080	L1076-T1078 PolarHBondContact O-N 3.03Å; T1078-R1080 PolarHBondContact O-N 3.23Å; T1078-R1080 VanDerWaalsContact O-N 3.1Å
1079	Q	23.1	Very low	23.6	Very low	174 Å²	174	144.8 Å²	144.8	81%	0.813	79%	0.788	S	S	*	*			trans	-73.7	101.9	166.9	-83.4	-169	-12.1	0	0	110.2	T1077 V1081	T1077-Q1079 VanDerWaalsContact C-N 3.28Å; T1077-Q1079 PolarHBondContact O-N 3.08Å; Q1079-V1081 PolarHBondContact O-N 3.03Å
1080	R	23.1	Very low	23.5	Very low	233 Å²	233	145.4 Å²	145.4	88%	0.879	80%	0.797	S	S	*	*			trans	-59.4	112.6	163	-67.2	178.9	-178.7	174.2	-0.3	109.1	T1078	T1078-R1080 PolarHBondContact O-N 3.23Å; T1078-R1080 VanDerWaalsContact O-N 3.1Å
1081	V	24.5	Very low	23.5	Very low	126 Å²	126	148 Å²	148	76%	0.764	80%	0.798	S	S	*	*			trans	-105	109.9	162.6	-178.8	0	0	0	0	107.6	Q1079	Q1079-V1081 PolarHBondContact O-N 3.03Å
1082	N	24.7	Very low	23.4	Very low	135 Å²	135	147.9 Å²	147.9	72%	0.722	80%	0.797	S	S	*	*			trans	-70	127.9	176.9	-79.9	-19.8	0	0	0	110	F1084	N1082-F1084 PolarHBondContact O-N 3.41Å
1083	P	27.4	Very low	23.3	Very low	118 Å²	118	143.3 Å²	143.3	77%	0.766	80%	0.796	S	S	*	*	S	Bend	trans	-82.4	49.8	177	35.8	-36.6	0	0	0	112.1
1084	F	23.3	Very low	23.4	Very low	183 Å²	183	142 Å²	142	80%	0.803	80%	0.799	S	S	*	*			trans	-148.4	79.9	170.8	-77.2	-70.3	0	0	0	110.8	N1082	N1082-F1084 PolarHBondContact O-N 3.41Å
1085	N	25.5	Very low	23.3	Very low	162 Å²	162	141.9 Å²	141.9	87%	0.866	80%	0.801	S	S	*	*				-170.1	131.1	129.8	-99.2	-20.3	0	0	0	112.3
1086	N	20.2	Very low	23.2	Very low	158 Å²	158	145 Å²	145	85%	0.845	81%	0.809	S	S	*	*			trans	-82.9	128.2	165.5	-60.7	-40	0	0	0	109
1087	T	25.2	Very low	23.2	Very low	136 Å²	136	147 Å²	147	83%	0.834	81%	0.806	S	S	*	*			trans	-164.2	150.7	143.8	15.5	0	0	0	0	110.6
1088	P	24.2	Very low	23.2	Very low	109 Å²	109	146.5 Å²	146.5	71%	0.708	81%	0.806	S	S	*	*			trans	-98.6	162.9	-168.7	38.9	-34.8	0	0	0	113.9
1089	C	19.1	Very low	23.3	Very low	118 Å²	118	148.2 Å²	148.2	80%	0.797	81%	0.81	S	S	*	*			trans	44.5	118.4	158.5	-57.5	0	0	0	0	119
1090	D	23.1	Very low	23.5	Very low	164 Å²	164	145.2 Å²	145.2	88%	0.877	81%	0.806	S	S	*	*				-156.3	157.8	115.7	-105.2	-21.1	0	0	0	112.2
1091	E	19.9	Very low	23.6	Very low	171 Å²	171	141.8 Å²	141.8	80%	0.799	81%	0.805	S	S	*	*			trans	-77.9	151.6	-173.1	-53.6	169.7	136.2	0	0	112.2
1092	L	23.4	Very low	23.6	Very low	156 Å²	156	144 Å²	144	82%	0.817	81%	0.807	S	S	*	*				168.9	123	116.8	-94.2	147.5	0	0	0	114.6
1093	S	21.9	Very low	23.7	Very low	114 Å²	114	141.8 Å²	141.8	80%	0.797	80%	0.798	S	S	*	*			trans	50.4	118	143.9	64.5	0	0	0	0	121.2
1094	G	23	Very low	23.6	Very low	77 Å²	77	141.3 Å²	141.3	79%	0.794	80%	0.795	S	S	*	*			trans	166	89.4	158.5	0	0	0	0	0	114
1095	S	21.4	Very low	23.7	Very low	117 Å²	117	140.1 Å²	140.1	82%	0.818	79%	0.785	S	S	*	*			trans	-47.9	144.7	167.8	51.8	0	0	0	0	111.8
1096	M	23	Very low	24	Very low	176 Å²	176	137 Å²	137	87%	0.867	77%	0.768	S	S	*	*				-170.6	161.2	66	-163.4	155.9	177.1	0	0	110.8
1097	Y	24.9	Very low	24.5	Very low	215 Å²	215	132.4 Å²	132.4	84%	0.843	75%	0.752	S	S	*	*			trans	-48.3	140	-166	-71.7	-94.6	0	0	0	117.8
1098	S	22.9	Very low	24.6	Very low	106 Å²	106	130.5 Å²	130.5	74%	0.741	74%	0.737	S	S	*	*			trans	-60.7	134.9	159	51.3	0	0	0	0	112.6
1099	L	25.6	Very low	24.7	Very low	164 Å²	164	132.9 Å²	132.9	86%	0.859	74%	0.743	S	S	*	*			trans	-107.9	139.7	142.6	-90.2	90.2	0	0	0	108.7
1100	P	27.7	Very low	25.2	Very low	112 Å²	112	135.5 Å²	135.5	73%	0.727	74%	0.743	S	S	*	*			trans	-82.2	158.7	-174.9	33.8	-35.5	0	0	0	112.8	Q1102	P1100-Q1102 PolarHBondContact O-N 2.86Å; P1100-Q1102 VanDerWaalsContact O-N 3.16Å
1101	N	25.5	Very low	25.4	Very low	161 Å²	161	135.8 Å²	135.8	86%	0.861	74%	0.739	S	S	*	*			trans	-57.5	114.2	174.6	-62.7	-29	0	0	0	111.5
1102	Q	23.6	Very low	25.9	Very low	173 Å²	173	137 Å²	137	81%	0.808	74%	0.742	S	S	*	*			trans	-91.3	103.6	159.4	-77.4	175.2	-30.2	0	0	108.8	P1100	P1100-Q1102 PolarHBondContact O-N 2.86Å; P1100-Q1102 VanDerWaalsContact O-N 3.16Å
1103	T	26.5	Very low	26.1	Very low	88 Å²	88	138 Å²	138	54%	0.54	74%	0.743	S	S	.	*	P	Polyproline II helix	trans	-93.5	134.5	158.2	41.2	0	0	0	0	108.3	R1105	T1103-R1105 PolarHBondContact O-N 3.32Å
1104	P	25.3	Very low	26.4	Very low	107 Å²	107	140.6 Å²	140.6	70%	0.695	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-75.7	128.1	-165.3	28.1	-33.4	0	0	0	111.9
1105	R	26.2	Very low	26.7	Very low	159 Å²	159	145 Å²	145	60%	0.6	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-76.4	161.1	177.2	-69.9	172.9	164.8	164.7	-3.4	110.7	T1103 A1107 D1108	T1103-R1105 PolarHBondContact O-N 3.32Å; R1105-A1107 PolarHBondContact O-N 2.67Å; R1105-D1108 PolarHBondContact N-OD2 3.46Å
1106	L	31.2	Very low	26.8	Very low	97 Å²	97	146.9 Å²	146.9	51%	0.508	75%	0.749	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.8	36.6	168.3	-149	81.5	0	0	0	112.4
1107	A	31.3	Very low	27.1	Very low	61 Å²	61	149.4 Å²	149.4	50%	0.504	75%	0.75	S	S	.	*	T	Hydrogen-bonded Turn	trans	-163.1	29.9	177.8	0	0	0	0	0	114.3	R1105 L1109	R1105-A1107 PolarHBondContact O-N 2.67Å; A1107-L1109 PolarHBondContact O-N 2.75Å
1108	D	27	Very low	27	Very low	95 Å²	95	147.6 Å²	147.6	51%	0.508	75%	0.749	S	S	.	*			trans	-89.3	90.5	176.2	-61	-31	0	0	0	110.6	R1105	R1105-D1108 PolarHBondContact N-OD2 3.46Å
1109	L	26.1	Very low	27.3	Very low	159 Å²	159	152.4 Å²	152.4	83%	0.832	75%	0.752	S	S	*	*			trans	-124.4	49	162.2	-88.1	178.5	0	0	0	109.5	A1107	A1107-L1109 PolarHBondContact O-N 2.75Å
1110	E	28.8	Very low	27.4	Very low	174 Å²	174	150.7 Å²	150.7	81%	0.813	74%	0.744	S	S	*	*			trans	-124.9	160.7	162.5	-68.7	-174.8	163.2	0	0	108.1
1111	E	27.2	Very low	27.3	Very low	170 Å²	170	152.9 Å²	152.9	79%	0.794	75%	0.75	S	S	*	*			trans	69.7	67.9	-179.5	-55.3	-175.9	168.3	0	0	116.6
1112	F	31	Very low	27.6	Very low	196 Å²	196	153.7 Å²	153.7	86%	0.86	75%	0.749	S	S	*	*	S	Bend	trans	-97.1	94.5	135.1	-90.3	-74.8	0	0	0	108.4	D1114	F1112-D1114 PolarHBondContact O-N 2.92Å
1113	E	27.8	Very low	27.8	Very low	177 Å²	177	153 Å²	153	83%	0.827	75%	0.75	S	S	*	*			trans	13.5	97.5	160.1	-60.3	178.4	156.1	0	0	116.7	E1115	E1113-E1115 PolarHBondContact O-N 3.49Å; E1113-E1115 VanDerWaalsContact O-N 3.12Å
1114	D	28.5	Very low	27.8	Very low	168 Å²	168	152.4 Å²	152.4	90%	0.898	76%	0.76	S	S	*	*			trans	-67.9	103.4	161.7	-81.9	-42.3	0	0	0	109.4	F1112 N1116	F1112-D1114 PolarHBondContact O-N 2.92Å; D1114-N1116 PolarHBondContact O-N 3.38Å
1115	E	28.4	Very low	27.7	Very low	171 Å²	171	152.8 Å²	152.8	80%	0.799	77%	0.766	S	S	*	*			trans	-63	130.3	171	-74.3	-167.9	146.7	0	0	110.9	E1113 Y1117	E1113-E1115 PolarHBondContact O-N 3.49Å; E1113-E1115 VanDerWaalsContact O-N 3.12Å; E1115-Y1117 PolarHBondContact O-N 3.38Å
1116	N	24.2	Very low	27.9	Very low	156 Å²	156	152 Å²	152	83%	0.834	78%	0.778	S	S	*	*			trans	-44.7	116.7	-179.1	-64.7	-60.8	0	0	0	114.1	D1114	D1114-N1116 PolarHBondContact O-N 3.38Å
1117	Y	28.9	Very low	27.6	Very low	228 Å²	228	153.6 Å²	153.6	89%	0.894	79%	0.787	S	S	*	*			trans	-114.4	88.6	152.9	-87.3	-86.1	0	0	0	109.9	E1115	E1115-Y1117 PolarHBondContact O-N 3.38Å
1118	E	23.6	Very low	27.3	Very low	177 Å²	177	158 Å²	158	83%	0.827	80%	0.797	S	S	*	*			trans	-80.7	114.9	167.9	-179.2	173.8	-148.2	0	0	108.6
1119	Y	29.8	Very low	27.1	Very low	207 Å²	207	159.7 Å²	159.7	81%	0.812	81%	0.805	S	S	*	*			trans	-160.6	115.7	158.5	-121.8	-76.4	0	0	0	113.1
1120	D	26.6	Very low	27.1	Very low	129 Å²	129	160 Å²	160	69%	0.69	80%	0.802	S	S	*	*			trans	42.9	110.2	154.1	-58.8	-4.8	0	0	0	122.4
1121	D	26.3	Very low	26.8	Very low	157 Å²	157	158.6 Å²	158.6	84%	0.84	80%	0.8	S	S	*	*				13.7	120.4	121.8	-71	-27.7	0	0	0	119
1122	E	31.1	Very low	27.5	Very low	179 Å²	179	155 Å²	155	84%	0.836	79%	0.791	S	S	*	*				-153.4	123.9	127.6	-92.7	-149.4	144.8	0	0	112.7
1123	L	27.8	Very low	27	Very low	159 Å²	159	154 Å²	154	83%	0.832	79%	0.787	S	S	*	*			trans	43.9	130.6	151.8	-70.4	88.8	0	0	0	121.5
1124	G	27.2	Very low	26.9	Very low	74 Å²	74	154.4 Å²	154.4	76%	0.763	78%	0.782	S	S	*	*			trans	168	20.2	149.3	0	0	0	0	0	121.3	V1126	G1124-V1126 PolarHBondContact O-N 3.04Å
1125	S	22.6	Very low	26.5	Very low	116 Å²	116	156.2 Å²	156.2	81%	0.811	78%	0.776	S	S	*	*			trans	-64.4	116.5	177.3	58.9	0	0	0	0	112.7
1126	V	30.2	Very low	26.2	Very low	142 Å²	142	153.8 Å²	153.8	86%	0.861	77%	0.768	S	S	*	*			trans	-137.5	109.7	154.7	-177.8	0	0	0	0	109.5	G1124	G1124-V1126 PolarHBondContact O-N 3.04Å
1127	D	24.5	Very low	26	Very low	130 Å²	130	153 Å²	153	70%	0.695	77%	0.768	S	S	*	*			trans	-73.1	162.2	172.2	-85.1	-60	0	0	0	113.3
1128	H	25.3	Very low	25.7	Very low	155 Å²	155	145.8 Å²	145.8	72%	0.718	76%	0.764	S	S	*	*			trans	84.9	111.9	146	-70.7	-22.6	0	0	0	122.2
1129	I	23.6	Very low	25.6	Very low	130 Å²	130	146.2 Å²	146.2	67%	0.667	77%	0.766	S	S	*	*				96.3	120.6	117.1	-69.7	171.8	0	0	0	120.1
1130	H	25	Very low	25.2	Very low	165 Å²	165	144.6 Å²	144.6	76%	0.764	77%	0.768	S	S	*	*			trans	62.6	110.2	150.9	-72.8	-28.1	0	0	0	123.8
1131	N	22.8	Very low	25	Very low	144 Å²	144	146.8 Å²	146.8	77%	0.77	78%	0.779	S	S	*	*				66.1	164.8	104.9	-108.9	-1.9	0	0	0	120.1
1132	P	42.7	Very low	24.7	Very low	96 Å²	96	147.8 Å²	147.8	62%	0.623	78%	0.775	S	S	*	*				-130.3	-178.5	-118.6	40	-21.4	0	0	0	116.3
1133	K	20	Very low	24.4	Very low	175 Å²	175	146.6 Å²	146.6	76%	0.761	78%	0.775	S	S	*	*			trans	75.6	123.9	173.2	-55.8	174.5	174.5	176.7	0	115.4
1134	Y	25.6	Very low	24	Very low	185 Å²	185	146.4 Å²	146.4	73%	0.725	78%	0.775	S	S	*	*				166.6	118.5	105.9	-96.1	-83.3	0	0	0	112.3
1135	W	20.5	Very low	23.9	Very low	206 Å²	206	148.1 Å²	148.1	78%	0.78	78%	0.775	S	S	*	*			trans	61.1	122.1	130.5	-76.4	50.7	0	0	0	123.8
1136	I	21.9	Very low	23.8	Very low	120 Å²	120	148.5 Å²	148.5	62%	0.615	77%	0.773	S	S	*	*				76.3	115.6	124.1	-67.7	-154.7	0	0	0	121.9
1137	T	21.1	Very low	23.6	Very low	138 Å²	138	151.4 Å²	151.4	85%	0.847	77%	0.774	S	S	*	*			trans	50.3	135	148.4	64.6	0	0	0	0	122
1138	G	22.1	Very low	23.5	Very low	78 Å²	78	151.5 Å²	151.5	80%	0.804	78%	0.779	S	S	*	*			trans	-172.6	78	168.1	0	0	0	0	0	115.3
1139	Q	21.6	Very low	23.5	Very low	185 Å²	185	150 Å²	150	86%	0.864	79%	0.786	S	S	*	*			trans	3.3	135	157	-70.3	175.9	-23.9	0	0	121.5
1140	M	20	Very low	23.5	Very low	174 Å²	174	150.7 Å²	150.7	86%	0.857	79%	0.789	S	S	*	*				34.3	125.2	127.7	-64	-84.6	-177.6	0	0	119.4
1141	L	24.2	Very low	23.6	Very low	175 Å²	175	151.1 Å²	151.1	92%	0.916	80%	0.796	S	S	*	*				-166.5	150.3	113.7	-105.1	161.6	0	0	0	113.7
1142	K	19.9	Very low	23.7	Very low	178 Å²	178	153.1 Å²	153.1	77%	0.774	80%	0.797	S	S	*	*			trans	-75.7	150.2	172.4	-59.9	164.2	175.2	173.6	0	110.1
1143	N	23.3	Very low	23.1	Very low	154 Å²	154	152.9 Å²	152.9	82%	0.824	80%	0.796	S	S	*	*				-177.2	156.7	113.2	-97.7	-23	0	0	0	115.3
1144	N	20.3	Very low	23.5	Very low	155 Å²	155	153.3 Å²	153.3	83%	0.829	80%	0.8	S	S	*	*			trans	-65.4	147.6	172.4	-59.7	-43.8	0	0	0	112.5
1145	S	24.3	Very low	23.6	Very low	110 Å²	110	149.1 Å²	149.1	77%	0.769	79%	0.794	S	S	*	*				-166.6	133.9	126.1	51.4	0	0	0	0	114.4
1146	T	21.3	Very low	24.2	Very low	124 Å²	124	146.5 Å²	146.5	76%	0.761	80%	0.795	S	S	*	*			trans	-1.4	133	150.8	57.4	0	0	0	0	120.2
1147	K	25.8	Very low	24.6	Very low	203 Å²	203	147.7 Å²	147.7	88%	0.883	80%	0.798	S	S	*	*				-168.1	153.7	102	-107.1	171.8	-177.8	175.4	0	114.1
1148	T	21.2	Very low	25.2	Very low	131 Å²	131	149.7 Å²	149.7	80%	0.804	80%	0.798	S	S	*	*			trans	-82.8	140	179.5	47	0	0	0	0	113.1
1149	S	26.5	Very low	25.7	Very low	124 Å²	124	155.8 Å²	155.8	87%	0.867	80%	0.802	S	S	*	*			trans	-140.4	151.7	142.3	67.6	0	0	0	0	109.7
1150	I	23.5	Very low	26.2	Very low	144 Å²	144	153.9 Å²	153.9	74%	0.738	80%	0.795	S	S	*	*			trans	-124.5	116	-167.5	-64.5	162.1	0	0	0	108.2
1151	I	27.7	Very low	27.1	Very low	175 Å²	175	153.1 Å²	153.1	90%	0.897	79%	0.79	S	S	*	*			trans	-135	142.3	148.1	-63	-171.7	0	0	0	107.7
1152	K	25.2	Very low	27.6	Very low	185 Å²	185	151.7 Å²	151.7	80%	0.804	78%	0.783	S	S	*	*			trans	-113.5	174.9	-167	-107.4	-168.3	170.4	178.8	0	111.1
1153	P	30.2	Very low	28.3	Very low	91 Å²	91	150.2 Å²	150.2	59%	0.591	78%	0.783	S	S	*	*			trans	-108	170.7	-134.9	41.5	-37.9	0	0	0	114.9	T1155	P1153-T1155 HydrophobicContact CB-CG2 4.34Å
1154	H	26.9	Very low	29	Very low	184 Å²	184	151.6 Å²	151.6	85%	0.852	78%	0.781	S	S	*	*			trans	-119	112.9	147.5	-126.6	-84.7	0	0	0	108.9
1155	T	28.6	Very low	30.1	Very low	98 Å²	98	150.7 Å²	150.7	60%	0.601	78%	0.775	S	S	*	*			trans	-118.9	101.1	179.6	39.3	0	0	0	0	109.9	P1153 Q1157	P1153-T1155 HydrophobicContact CB-CG2 4.34Å; T1155-Q1157 PolarHBondContact O-N 2.9Å; T1155-Q1157 VanDerWaalsContact O-N 3.14Å
1156	D	33	Very low	30.6	Very low	150 Å²	150	153.8 Å²	153.8	80%	0.802	78%	0.775	S	S	*	*			trans	-81.7	84.6	166	-79.8	-40.2	0	0	0	109.8	Q1158	D1156-Q1158 PolarHBondContact O-N 2.64Å
1157	Q	30.2	Very low	31.1	Very low	146 Å²	146	157 Å²	157	68%	0.682	78%	0.779	S	S	*	*			trans	-86.7	16	-171.6	-146.3	170.8	8.9	0	0	113.8	T1155 K1159	T1155-Q1157 PolarHBondContact O-N 2.9Å; T1155-Q1157 VanDerWaalsContact O-N 3.14Å; Q1157-K1159 VanDerWaalsContact C-N 3.33Å; Q1157-K1159 PolarHBondContact O-N 3.2Å
1158	Q	33.2	Very low	31.7	Very low	180 Å²	180	152.1 Å²	152.1	84%	0.841	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	10	-163.6	-138.2	175.1	19.8	0	0	116	D1156	D1156-Q1158 PolarHBondContact O-N 2.64Å
1159	K	32.5	Very low	32.5	Very low	205 Å²	205	158.3 Å²	158.3	89%	0.891	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.5	2.6	175.7	-88.7	-176.6	175.8	176.7	0	115.4	Q1157	Q1157-K1159 VanDerWaalsContact C-N 3.33Å; Q1157-K1159 PolarHBondContact O-N 3.2Å
1160	M	32.9	Very low	32.8	Very low	146 Å²	146	160 Å²	160	72%	0.719	78%	0.782	S	S	*	*	S	Bend	trans	-119.2	17	-175.3	-152	155	65.7	0	0	115.6
1161	E	38.2	Very low	33.3	Very low	158 Å²	158	160.8 Å²	160.8	74%	0.738	78%	0.784	S	S	*	*	S	Bend	trans	-93.6	-26.1	167.4	-70.9	-163.1	128.1	0	0	113.7	L1163 K1164	E1161-L1163 PolarHBondContact O-N 2.71Å; E1161-L1163 VanDerWaalsContact O-N 3.09Å; E1161-K1164 PolarHBondContact O-N 3.47Å
1162	N	34.1	Very low	33.6	Very low	144 Å²	144	160.1 Å²	160.1	77%	0.77	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-8.1	-176.1	-78.7	-10.5	0	0	0	115.3
1163	L	35.1	Very low	34.1	Very low	148 Å²	148	158.6 Å²	158.6	78%	0.775	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-10.5	175.8	-108.2	82.7	0	0	0	114.9	E1161	E1161-L1163 PolarHBondContact O-N 2.71Å; E1161-L1163 VanDerWaalsContact O-N 3.09Å
1164	K	39.2	Very low	34.3	Very low	183 Å²	183	162.8 Å²	162.8	80%	0.796	79%	0.788	S	S	*	*	S	Bend	trans	-93.7	-9	-176.6	-85.9	-172.2	174.4	-179.7	0	115.7	E1161	E1161-K1164 PolarHBondContact O-N 3.47Å
1165	I	41.7	Very low	34.8	Very low	136 Å²	136	161.4 Å²	161.4	70%	0.697	78%	0.784	S	S	*	*	S	Bend	trans	-88.4	-13.9	179.5	-63.2	177.8	0	0	0	112.2	F1167	I1165-F1167 PolarHBondContact O-N 3Å
1166	F	35.7	Very low	35.3	Very low	175 Å²	175	165.9 Å²	165.9	77%	0.768	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-7.7	-177.4	-144.1	-90.5	0	0	0	115.1
1167	F	32.7	Very low	35.5	Very low	192 Å²	192	167.2 Å²	167.2	84%	0.842	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	36	-178.3	-81.1	-73.3	0	0	0	113.6	I1165	I1165-F1167 PolarHBondContact O-N 3Å
1168	S	37.5	Very low	35.9	Very low	100 Å²	100	168.9 Å²	168.9	70%	0.699	81%	0.806	S	S	*	*			trans	-139.8	22.8	168.7	62.2	0	0	0	0	114.4
1169	K	38.1	Very low	36.1	Very low	260 Å²	260	167.9 Å²	167.9	100%	1.13	80%	0.802	S	S	*	*			trans	-137.1	0	160.4	-87	-171.6	175.3	180	0	109.1

Retrieved 1,169 of 1,169 residues in 281.6 ms (Link to these results)

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