A0A5K4FB81_SCHMA Loading...

CPSF_A domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FB81, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,226 aa.

						>A0A5K4FB81_SCHMA|A0A5K4FB81
MYLYNITLQRATGITHAVHGNFSGTKQQEIAVARGKIIELLRPDPNTGKVYTLLTCEAFGIVRSFMPFRLTGSNKDYLIVGSDSGRVVVLEYIPSKNVFEKVQQETFGKSGCRRIVPGQYLAVNPKGRAFMIGAVEKQKLVYIMNRDSQARLTISSPLEAHKSNTLVYHMVGVDVGFDNPLFACIEMDYEDADQDSTGEAARGANQLLTYYELDLGLNHVVRKYSEPLEEHANFLIAVPGGNEGPSGILICSENYITYKNFGDQPDIRCPIPQRRNDLDDPDRGILFVCSASHKTKNLFFFLAQTEQGDIFKINLEVDDDMVTEIKLKYFDTVPVASAMCVLKTGFLFVASEFGNHCLYQIAHLGDDDDEPEFSSAMPLEEGDTFYFAPRPLKNLIEVDVMESLSPVMSCHIADFANEDTPQLAALCGRGPGSTFRLLRHGLEVSEMAKSDLPGNPNAVWTVKRNSEEEYDAYIIVSFVNATLVLSIGETVEEVTDSGFLGTTPTLTCSQLGDDALVQVYPDGIRHIRSDKRVNVWRAPGKKTITKCAVNRRQVVIALTGGELVYFEMDMTGQLNEYTERKEMPADVICMALGRIPANEQRSRFLAVGLADNTVRILSLDPSDCLTPLTMQGIPSTPESLCIVEMGTNEPSPSTDDGESEATSSGGILYMNIGLINGVLLRVILDPVTGELSDTRTRYLGTRPVKLFRIMMQGGEAVLSVSSRSWLSYAYQNRFHLIPLSYEALEYASGFSSEQCPEGIVAICNNSLRIMALEKLGAVFNQISYPLQYTPRKFVFHPDSNITYIIETDHNSYTDDVKNTHKRQMAEKMIASALGGTPEDMALAKESAAAFLSENLPEAIFGAPKAGPGMWASLLRCFKPLDGSTCQIIRFPQNEAAHALTFVKFNNHPAEQFLVVALVKDLILNPRSCSGGCLKTYRIWNNGERLEFLHETPVDDFPAALCAFQGRLLVGVGNRLRIYDLGKKKLLKKCENKHIPTLINGIYSVGSRIIVTDVQESVHWVRYRPRSDSQLVIFADDTNPRWIIHLAVLDASTVAVSDKFGNVTILRLPPNVIDDIEDDPSGNRALWDRGFLGGASQKCDVLCHFYVGEVVTCLQKATLIPGGSEGIVYSTISGSIGMLVPFASRDAYDFFQHLELHMRAEGLSLVGREHVHYRSQHYPVRNVIDGDLCEIFNSLEGSKQRSIAEEMDKTPSDIAKRLEDIRTRFAF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	91.7	Very high	95.5	Very high	81 Å²	81	28 Å²	28	40%	0.399	12%	0.123	S	C	.	.				0	121.7	0	-178.5	170	-177.5	0	0	106.3	L3 L1048 I1064 L1101 I1126 N1181	M1-L3 HydrophobicContact CE-CD1 4.2Å; M1-L3 HydrophobicContact CE-CD2 3.72Å; M1-L3 HydrophobicContact CE-CG 4.21Å; M1-L3 HydrophobicContact CG-CD2 4.49Å; M1-L3 HydrophobicContact CG-CG 4.45Å; M1-L1048 HydrophobicContact CE-CD1 4.13Å; M1-I1064 HydrophobicContact CE-CD1 3.57Å; M1-I1064 HydrophobicContact SD-CD1 3.92Å; M1-I1064 HydrophobicContact SD-CG2 4.21Å; M1-L1101 HydrophobicContact CB-CD1 4.4Å; M1-I1126 HydrophobicContact CE-CD1 4.16Å; M1-N1181 WeakPolarHBondContact O-CB 3.32Å
2	Y	96.5	Very high	95.5	Very high	82 Å²	82	26.7 Å²	26.7	32%	0.322	12%	0.119	S	C	.	.			trans	-120.8	135.8	176.4	-58.8	-72.9	0	0	0	108	F1141 R1144 Y1147 N1181	Y2-F1141 PolarHBondContact O-N 2.96Å; Y2-R1144 VanDerWaalsContact CE2-NH1 3.31Å; Y2-R1144 PolarHBondContact OH-NH1 3.48Å; Y2-Y1147 VanDerWaalsContact CB-CD2 3.41Å; Y2-Y1147 HydrophobicContact CD1-CD1 4.35Å; Y2-Y1147 AromaticContact CD1-CD2 3.83Å; Y2-Y1147 HydrophobicContact CD1-CD2 3.83Å; Y2-Y1147 HydrophobicContact CD1-CE1 4.03Å; Y2-Y1147 AromaticContact CD1-CE2 3.4Å; Y2-Y1147 HydrophobicContact CD1-CE2 3.4Å; Y2-Y1147 VanDerWaalsContact CD1-CE2 3.4Å; Y2-Y1147 HydrophobicContact CD1-CG 4.26Å; Y2-Y1147 AromaticContact CD1-CZ 3.52Å; Y2-Y1147 HydrophobicContact CD2-CD2 4.43Å; Y2-Y1147 HydrophobicContact CD2-CG 4.28Å; Y2-Y1147 HydrophobicContact CE1-CE1 4.1Å; Y2-Y1147 HydrophobicContact CE1-CE2 4.23Å; Y2-Y1147 AromaticContact CE1-CZ 3.88Å; Y2-Y1147 HydrophobicContact CG-CD1 4.33Å; Y2-Y1147 AromaticContact CG-CD2 3.64Å; Y2-Y1147 HydrophobicContact CG-CD2 3.64Å; Y2-Y1147 HydrophobicContact CG-CE1 4.45Å; Y2-Y1147 AromaticContact CG-CE2 3.74Å; Y2-Y1147 HydrophobicContact CG-CE2 3.74Å; Y2-Y1147 AromaticContact CG-CG 3.93Å; Y2-Y1147 HydrophobicContact CG-CG 3.93Å; Y2-N1181 WeakPolarHBondContact CA-O 3.41Å; Y2-N1181 HydrophobicContact CD1-CB 3.91Å; Y2-N1181 HydrophobicContact CE1-CB 4.35Å; Y2-N1181 VanDerWaalsContact CE1-OD1 3.27Å; Y2-N1181 WeakPolarHBondContact CE1-OD1 3.16Å
3	L	97.5	Very high	95.5	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	155.7	-174.1	-67.1	175.2	0	0	0	111.9	M1 I1064 C1102 L1138 V1139 P1140 F1141 N1181 V1182 I1183	M1-L3 HydrophobicContact CE-CD1 4.2Å; M1-L3 HydrophobicContact CE-CD2 3.72Å; M1-L3 HydrophobicContact CE-CG 4.21Å; M1-L3 HydrophobicContact CG-CD2 4.49Å; M1-L3 HydrophobicContact CG-CG 4.45Å; L3-I1064 HydrophobicContact CD1-CD1 3.39Å; L3-C1102 HydrophobicContact CD1-CB 4.28Å; L3-L1138 HydrophobicContact CD1-CB 4.07Å; L3-L1138 HydrophobicContact CD1-CD1 4.23Å; L3-L1138 HydrophobicContact CD2-CB 4.44Å; L3-V1139 CarbonylContact C-O 3.57Å; L3-V1139 VanDerWaalsContact CA-O 3.25Å; L3-V1139 WeakPolarHBondContact CA-O 3.41Å; L3-P1140 HydrophobicContact CD2-CB 4.14Å; L3-F1141 WeakPolarHBondContact O-CE2 3.45Å; L3-N1181 PolarHBondContact N-O 2.79Å; L3-V1182 HydrophobicContact CB-CG1 4.31Å; L3-V1182 HydrophobicContact CB-CG2 4.13Å; L3-V1182 HydrophobicContact CD1-CG2 4.4Å; L3-V1182 CarbonylContact O-C 3.55Å; L3-V1182 WeakPolarHBondContact O-CA 3.45Å; L3-I1183 PolarHBondContact O-N 3.4Å
4	Y	97.7	Very high	95.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.6	172.4	-172.7	-110.6	0	0	0	108.8	I6 L1138 V1139 F1141 F1150 I1183 G1185 C1188 L1217 I1220	Y4-I6 HydrophobicContact CD1-CD1 3.64Å; Y4-I6 HydrophobicContact CD1-CG1 3.39Å; Y4-I6 HydrophobicContact CE1-CD1 3.7Å; Y4-I6 HydrophobicContact CE1-CG1 3.46Å; Y4-I6 VanDerWaalsContact CE1-CG1 3.46Å; Y4-L1138 WeakPolarHBondContact O-CA 3.34Å; Y4-V1139 PolarHBondContact N-O 2.76Å; Y4-V1139 PolarHBondContact O-N 2.99Å; Y4-F1141 AromaticContact CD2-CZ 3.81Å; Y4-F1141 HydrophobicContact CD2-CZ 3.81Å; Y4-F1141 HydrophobicContact CG-CZ 4.03Å; Y4-F1150 AromaticContact CE2-CD1 3.93Å; Y4-F1150 HydrophobicContact CE2-CD1 3.93Å; Y4-F1150 HydrophobicContact CE2-CE1 4.37Å; Y4-F1150 HydrophobicContact CE2-CG 4.36Å; Y4-I1183 WeakPolarHBondContact CA-O 3.36Å; Y4-I1183 HydrophobicContact CD2-CB 4.01Å; Y4-I1183 HydrophobicContact CD2-CG2 3.83Å; Y4-I1183 HydrophobicContact CE2-CG2 3.97Å; Y4-G1185 WeakPolarHBondContact OH-CA 3.38Å; Y4-C1188 HydrophobicContact CE2-CB 4.37Å; Y4-L1217 WeakPolarHBondContact OH-CD2 3.28Å; Y4-I1220 HydrophobicContact CD1-CD1 3.63Å; Y4-I1220 HydrophobicContact CD1-CG1 4.05Å; Y4-I1220 HydrophobicContact CD1-CG2 4.23Å; Y4-I1220 HydrophobicContact CD2-CD1 4.37Å; Y4-I1220 HydrophobicContact CE1-CD1 4.17Å; Y4-I1220 HydrophobicContact CE1-CG1 4.42Å; Y4-I1220 HydrophobicContact CE1-CG2 3.73Å; Y4-I1220 HydrophobicContact CG-CD1 3.74Å
5	N	97.7	Very high	95.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	130.8	177.6	172.5	57.6	0	0	0	110.7	F1104 Y1128 L1138 V1182 I1183 D1184 G1185 D1186	N5-F1104 HydrophobicContact CB-CE1 3.92Å; N5-F1104 HydrophobicContact CB-CE2 4.46Å; N5-F1104 HydrophobicContact CB-CZ 3.8Å; N5-Y1128 WeakPolarHBondContact OD1-CE1 3.34Å; N5-Y1128 PolarHBondContact OD1-OH 2.7Å; N5-L1138 HydrophobicContact CB-CD2 3.87Å; N5-V1182 HydrophobicContact CB-CG1 4.23Å; N5-I1183 PolarHBondContact N-O 3.44Å; N5-D1184 PolarHBondContact ND2-OD1 3.24Å; N5-G1185 WeakPolarHBondContact O-CA 3.38Å; N5-G1185 PolarHBondContact O-N 2.84Å; N5-D1186 PolarHBondContact ND2-OD2 3.01Å
6	I	95.4	Very high	95.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	125.6	175.9	-58.4	-175.5	0	0	0	109.2	Y4 L8 G1136 M1137 V1139 R1221	Y4-I6 HydrophobicContact CD1-CD1 3.64Å; Y4-I6 HydrophobicContact CD1-CG1 3.39Å; Y4-I6 HydrophobicContact CE1-CD1 3.7Å; Y4-I6 HydrophobicContact CE1-CG1 3.46Å; Y4-I6 VanDerWaalsContact CE1-CG1 3.46Å; I6-L8 HydrophobicContact CG2-CD2 4.1Å; I6-G1136 CarbonylContact O-C 3.53Å; I6-G1136 WeakPolarHBondContact O-CA 3.32Å; I6-M1137 PolarHBondContact N-O 3.23Å; I6-M1137 PolarHBondContact O-N 3.37Å; I6-V1139 HydrophobicContact CD1-CG2 4.13Å; I6-R1221 HydrophobicContact CD1-CB 4.27Å
7	T	95.4	Very high	95.8	Very high	10 Å²	10	27.4 Å²	27.4	6%	0.061	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	126.4	165.7	-59.7	0	0	0	0	110.6	Q9 R10 D1186 R1221	T7-Q9 WeakPolarHBondContact CG2-O 3.41Å; T7-R10 HydrophobicContact CG2-CG 4.08Å; T7-D1186 WeakPolarHBondContact CB-OD1 3.35Å; T7-D1186 PolarHBondContact N-OD1 3.02Å; T7-D1186 VanDerWaalsContact OG1-CG 3.24Å; T7-D1186 PolarHBondContact OG1-OD1 2.87Å; T7-D1186 PolarHBondContact OG1-OD2 3.02Å; T7-D1186 VanDerWaalsContact OG1-OD2 3.06Å; T7-R1221 PolarHBondContact O-NH1 3.33Å; T7-R1221 PolarHBondContact O-NH2 3.34Å; T7-R1221 VanDerWaalsContact O-NH2 3.12Å
8	L	93.9	Very high	95.9	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.052	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-51.1	176.1	-55.1	179.4	0	0	0	110.6	I6 F779 L1118 I1135 M1137 A1225 F1226	I6-L8 HydrophobicContact CG2-CD2 4.1Å; L8-F779 HydrophobicContact CB-CE2 4.31Å; L8-L1118 HydrophobicContact CD1-CD1 3.33Å; L8-I1135 WeakPolarHBondContact CA-O 3.46Å; L8-I1135 WeakPolarHBondContact CB-O 3.32Å; L8-I1135 HydrophobicContact CD1-CG2 4.39Å; L8-I1135 PolarHBondContact N-O 3.15Å; L8-M1137 HydrophobicContact CD1-CB 4.36Å; L8-A1225 HydrophobicContact CD2-CB 3.56Å; L8-F1226 HydrophobicContact CD1-CE2 4.18Å; L8-F1226 HydrophobicContact CD2-CD2 4.49Å
9	Q	94.5	Very high	95.9	Very high	43 Å²	43	28.2 Å²	28.2	20%	0.201	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124	171.8	178.7	59.3	45.4	0	0	107.8	T7 L404 F779 S1134 I1135	T7-Q9 WeakPolarHBondContact CG2-O 3.41Å; Q9-L404 HydrophobicContact CG-CD1 4.19Å; Q9-F779 HydrophobicContact CB-CD2 4.06Å; Q9-F779 HydrophobicContact CB-CE2 3.92Å; Q9-S1134 CarbonylContact O-C 3.36Å; Q9-S1134 VanDerWaalsContact O-CA 3.25Å; Q9-S1134 WeakPolarHBondContact O-CA 3.38Å; Q9-S1134 WeakPolarHBondContact O-CB 3.45Å; Q9-I1135 HydrophobicContact CB-CB 4Å; Q9-I1135 HydrophobicContact CB-CD1 4.45Å; Q9-I1135 HydrophobicContact CB-CG1 4.18Å; Q9-I1135 PolarHBondContact N-O 2.85Å; Q9-I1135 PolarHBondContact O-N 2.73Å
10	R	94.7	Very high	95.8	Very high	79 Å²	79	26.9 Å²	26.9	30%	0.298	13%	0.132	S	C	.	.			trans	-68.6	162.5	175.6	-68.8	179.9	-172.8	143.7	0.6	110.8	T7 T12 I37 T55	T7-R10 HydrophobicContact CG2-CG 4.08Å; R10-T12 PolarHBondContact O-N 2.97Å; R10-I37 HydrophobicContact CB-CD1 3.71Å; R10-I37 HydrophobicContact CG-CD1 4.04Å; R10-T55 PolarHBondContact NH1-OG1 2.8Å
11	A	95.9	Very high	95.8	Very high	2 Å²	2	26 Å²	26	2%	0.017	13%	0.128	C	C	.	.			trans	-55.9	140.7	174	0	0	0	0	0	110.5	R34 I37 E1108	A11-R34 HydrophobicContact CB-CB 4.26Å; A11-R34 WeakPolarHBondContact O-CD 3.4Å; A11-I37 HydrophobicContact CB-CD1 4.25Å; A11-E1108 VanDerWaalsContact CB-OE1 3.27Å; A11-E1108 WeakPolarHBondContact CB-OE1 3.29Å
12	T	95.4	Very high	96	Very high	12 Å²	12	22.2 Å²	22.2	7%	0.074	11%	0.109	C	C	.	.			trans	-117.4	-17.5	-177.8	45.7	0	0	0	0	112.2	R10 R34 H356 S403 L404 S1132	R10-T12 PolarHBondContact O-N 2.97Å; T12-R34 PolarHBondContact O-NH1 3.32Å; T12-H356 PolarHBondContact O-NE2 3.21Å; T12-S403 WeakPolarHBondContact CB-OG 3.23Å; T12-S403 PolarHBondContact O-OG 3.41Å; T12-S403 PolarHBondContact OG1-OG 2.84Å; T12-L404 PolarHBondContact OG1-N 2.98Å; T12-S1132 PolarHBondContact N-O 3.42Å
13	G	95.7	Very high	95.9	Very high	8 Å²	8	18.9 Å²	18.9	8%	0.082	10%	0.098	C	C	.	.			trans	-67.2	132.9	171.7	0	0	0	0	0	112.8	R34 S1132	G13-R34 VanDerWaalsContact O-CA 3.27Å; G13-R34 WeakPolarHBondContact O-CA 3.48Å; G13-R34 WeakPolarHBondContact O-CB 3.19Å; G13-R34 WeakPolarHBondContact O-CG 3.34Å; G13-S1132 PolarHBondContact N-O 2.65Å
14	I	97.6	Very high	95.6	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.026	11%	0.112	C	C	.	.			trans	-99.7	122.7	176.3	-63.4	172.9	0	0	0	109.4	H16 A17 V32 R34 S337 F348 A350 H356	I14-H16 VanDerWaalsContact CG2-O 3.29Å; I14-H16 WeakPolarHBondContact CG2-O 3.39Å; I14-A17 HydrophobicContact CG2-CB 4.28Å; I14-V32 HydrophobicContact CD1-CB 4.34Å; I14-V32 HydrophobicContact CD1-CG1 4.13Å; I14-V32 HydrophobicContact CG1-CB 4.42Å; I14-V32 HydrophobicContact CG2-CB 4.16Å; I14-V32 HydrophobicContact CG2-CG1 4.4Å; I14-R34 HydrophobicContact CG1-CG 4.37Å; I14-S337 PolarHBondContact O-OG 3.01Å; I14-F348 HydrophobicContact CD1-CE1 4.29Å; I14-F348 HydrophobicContact CD1-CZ 3.91Å; I14-A350 HydrophobicContact CB-CB 4.08Å; I14-A350 HydrophobicContact CD1-CB 4.15Å; I14-A350 HydrophobicContact CG2-CB 3.77Å; I14-H356 HydrophobicContact CD1-CB 4.46Å; I14-H356 VanDerWaalsContact CD1-CD2 3.5Å; I14-H356 WeakPolarHBondContact CD1-CD2 3.48Å
15	T	95.7	Very high	95.4	Very high	64 Å²	64	23.5 Å²	23.5	39%	0.393	13%	0.132	S	C	.	.	S	Bend	trans	-92.6	-35.5	175.6	61.6	0	0	0	0	112.4	A33	T15-A33 PolarHBondContact N-O 3.36Å; T15-A33 PolarHBondContact OG1-O 3.36Å
16	H	96.3	Very high	95	Very high	59 Å²	59	33.4 Å²	33.4	27%	0.273	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.3	177.5	-56.1	74.9	0	0	0	109.9	I14 V32 A33 R63 F65	I14-H16 VanDerWaalsContact CG2-O 3.29Å; I14-H16 WeakPolarHBondContact CG2-O 3.39Å; H16-V32 WeakPolarHBondContact O-CA 3.12Å; H16-A33 HydrophobicContact CB-CB 4.17Å; H16-A33 PolarHBondContact N-O 3.37Å; H16-A33 PolarHBondContact O-N 3.42Å; H16-R63 PolarHBondContact CE1-O 3.06Å; H16-R63 PolarHBondContact NE2-O 3.27Å; H16-F65 HydrophobicContact CB-CB 3.89Å
17	A	97.3	Very high	94.8	Very high	9 Å²	9	38 Å²	38	7%	0.074	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	136.9	171.4	0	0	0	0	0	109.8	I14 I30 A31 V32 A338 F348 A350	I14-A17 HydrophobicContact CG2-CB 4.28Å; A17-I30 HydrophobicContact CB-CG2 4.31Å; A17-A31 WeakPolarHBondContact CA-O 3.09Å; A17-V32 HydrophobicContact CB-CG1 3.93Å; A17-A338 HydrophobicContact CB-CB 3.83Å; A17-F348 HydrophobicContact CB-CD1 4.42Å; A17-F348 HydrophobicContact CB-CE1 4.13Å; A17-A350 HydrophobicContact CB-CB 4.26Å
18	V	96.6	Very high	94.7	Very high	15 Å²	15	38.4 Å²	38.4	9%	0.091	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.9	176.2	-60.3	0	0	0	0	109.7	F22 I30 A31 F65 P67 L78	V18-F22 HydrophobicContact CG2-CZ 4.08Å; V18-I30 CarbonylContact O-C 3.58Å; V18-I30 WeakPolarHBondContact O-CA 2.95Å; V18-A31 HydrophobicContact CG2-CB 4.05Å; V18-A31 PolarHBondContact N-O 3.09Å; V18-A31 PolarHBondContact O-N 2.85Å; V18-F65 HydrophobicContact CB-CD1 4.46Å; V18-F65 HydrophobicContact CG1-CD1 4.13Å; V18-F65 WeakPolarHBondContact CG1-O 3.49Å; V18-F65 HydrophobicContact CG2-CD1 3.56Å; V18-F65 HydrophobicContact CG2-CE1 3.6Å; V18-P67 HydrophobicContact CB-CG 4.11Å; V18-P67 HydrophobicContact CG2-CG 4.45Å; V18-L78 HydrophobicContact CG2-CD1 4.04Å
19	H	96	Very high	94.8	Very high	56 Å²	56	37.9 Å²	37.9	26%	0.259	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	151.6	178.7	72.1	-89.3	0	0	0	111.2	Q28 E29 C340 L342	H19-Q28 PolarHBondContact CD2-NE2 2.85Å; H19-E29 WeakPolarHBondContact CA-O 3.39Å; H19-C340 HydrophobicContact CB-CB 4.14Å; H19-L342 HydrophobicContact CB-CD2 3.73Å
20	G	94.2	Very high	95	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	169.4	-178.5	0	0	0	0	0	112.7	F22 Q28 E29 D76	G20-F22 VanDerWaalsContact C-N 3.28Å; G20-F22 PolarHBondContact O-N 3.06Å; G20-Q28 WeakPolarHBondContact O-CA 3.31Å; G20-E29 PolarHBondContact N-O 2.73Å; G20-E29 PolarHBondContact O-N 2.96Å; G20-D76 WeakPolarHBondContact CA-OD2 3.36Å
21	N	95.8	Very high	95.1	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.043	17%	0.171	C	C	.	.			trans	-87	67.8	168.7	-63.2	112	0	0	0	108.6	G24 T25 K26 Q27 R69 D76	N21-G24 PolarHBondContact O-N 2.77Å; N21-T25 PolarHBondContact ND2-O 2.79Å; N21-K26 PolarHBondContact ND2-O 2.98Å; N21-Q27 PolarHBondContact ND2-O 2.79Å; N21-R69 PolarHBondContact OD1-NH2 2.92Å; N21-D76 PolarHBondContact N-OD2 3.23Å; N21-D76 PolarHBondContact O-N 2.74Å
22	F	96.5	Very high	95.2	Very high	2 Å²	2	32 Å²	32	1%	0.009	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-32.1	-174.6	-63.6	-68	0	0	0	111.9	V18 G20 G24 E29 A31 L40 P67 K75 D76 L78	V18-F22 HydrophobicContact CG2-CZ 4.08Å; G20-F22 VanDerWaalsContact C-N 3.28Å; G20-F22 PolarHBondContact O-N 3.06Å; F22-G24 PolarHBondContact O-N 2.77Å; F22-E29 HydrophobicContact CD2-CB 4.1Å; F22-E29 PolarHBondContact N-OE2 2.85Å; F22-A31 HydrophobicContact CD2-CB 4.35Å; F22-A31 HydrophobicContact CE2-CB 3.72Å; F22-A31 HydrophobicContact CZ-CB 3.88Å; F22-L40 HydrophobicContact CB-CD1 4.18Å; F22-L40 HydrophobicContact CD2-CD1 3.73Å; F22-L40 HydrophobicContact CE2-CD1 4.45Å; F22-L40 HydrophobicContact CG-CD1 4.16Å; F22-P67 HydrophobicContact CE1-CB 4.19Å; F22-P67 HydrophobicContact CZ-CB 4.08Å; F22-K75 WeakPolarHBondContact O-CE 3.22Å; F22-D76 HydrophobicContact CD1-CB 4.03Å; F22-D76 WeakPolarHBondContact CD1-O 3.29Å; F22-D76 HydrophobicContact CE1-CB 4.1Å; F22-L78 HydrophobicContact CE1-CB 4.2Å
23	S	93.8	Very high	95.3	Very high	13 Å²	13	31.4 Å²	31.4	9%	0.091	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-11.8	172.2	-55.7	0	0	0	0	113.4	T25 E29 Y92	S23-T25 VanDerWaalsContact C-N 3.25Å; S23-T25 PolarHBondContact O-N 2.81Å; S23-E29 WeakPolarHBondContact CB-OE1 3.5Å; S23-E29 PolarHBondContact N-OE2 2.98Å; S23-E29 VanDerWaalsContact N-OE2 3.09Å; S23-E29 PolarHBondContact OG-OE1 2.75Å; S23-Y92 WeakPolarHBondContact OG-CE1 3.47Å
24	G	92.1	Very high	95.3	Very high	29 Å²	29	31.7 Å²	31.7	30%	0.299	17%	0.166	S	C	.	.	S	Bend	trans	75.4	10.1	-172.3	0	0	0	0	0	114.4	N21 F22	N21-G24 PolarHBondContact O-N 2.77Å; F22-G24 PolarHBondContact O-N 2.77Å
25	T	92.4	Very high	95.1	Very high	69 Å²	69	32.2 Å²	32.2	42%	0.423	17%	0.173	S	C	.	.	S	Bend	trans	-95.3	177.8	175.2	72.8	0	0	0	0	110.9	N21 S23 Q27	N21-T25 PolarHBondContact ND2-O 2.79Å; S23-T25 VanDerWaalsContact C-N 3.25Å; S23-T25 PolarHBondContact O-N 2.81Å; T25-Q27 VanDerWaalsContact C-N 3.26Å; T25-Q27 PolarHBondContact O-N 3.14Å; T25-Q27 PolarHBondContact OG1-N 2.83Å
26	K	90	Very high	95	Very high	208 Å²	208	29.4 Å²	29.4	90%	0.904	16%	0.155	S	C	*	.	S	Bend	trans	-68	-25.5	174.4	-71.4	-175.7	179.8	176.4	0	113.1	N21	N21-K26 PolarHBondContact ND2-O 2.98Å
27	Q	90.3	Very high	95	Very high	96 Å²	96	26.6 Å²	26.6	45%	0.449	14%	0.142	S	C	.	.	S	Bend	trans	-68.9	146.2	178.6	-67.7	179.8	-11.9	0	0	110	N21 T25	N21-Q27 PolarHBondContact ND2-O 2.79Å; T25-Q27 VanDerWaalsContact C-N 3.26Å; T25-Q27 PolarHBondContact O-N 3.14Å; T25-Q27 PolarHBondContact OG1-N 2.83Å
28	Q	94.4	Very high	94.9	Very high	18 Å²	18	26.1 Å²	26.1	8%	0.084	14%	0.138	C	C	.	.			trans	-101.3	137.5	175.1	-72.3	-176	-51.5	0	0	109.6	H19 G20 L342	H19-Q28 PolarHBondContact CD2-NE2 2.85Å; G20-Q28 WeakPolarHBondContact O-CA 3.31Å; Q28-L342 HydrophobicContact CB-CD2 4.16Å
29	E	96.7	Very high	94.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	162.7	170.1	-56.5	90.5	-177.3	0	0	110	H19 G20 F22 S23 L40 L41 R42 L53	H19-E29 WeakPolarHBondContact CA-O 3.39Å; G20-E29 PolarHBondContact N-O 2.73Å; G20-E29 PolarHBondContact O-N 2.96Å; F22-E29 HydrophobicContact CD2-CB 4.1Å; F22-E29 PolarHBondContact N-OE2 2.85Å; S23-E29 WeakPolarHBondContact CB-OE1 3.5Å; S23-E29 PolarHBondContact N-OE2 2.98Å; S23-E29 VanDerWaalsContact N-OE2 3.09Å; S23-E29 PolarHBondContact OG-OE1 2.75Å; E29-L40 HydrophobicContact CB-CD1 3.79Å; E29-L40 HydrophobicContact CB-CG 4.17Å; E29-L41 CarbonylContact C-O 3.57Å; E29-L41 WeakPolarHBondContact CA-O 3.37Å; E29-L41 WeakPolarHBondContact CB-O 3.23Å; E29-R42 IonicContact OE1-NH2 2.71Å; E29-L53 HydrophobicContact CG-CD1 4.39Å
30	I	97.5	Very high	94.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.3	175.8	-54.6	162.6	0	0	0	107.3	A17 V18 V32 L41 P43 L342 F348	A17-I30 HydrophobicContact CB-CG2 4.31Å; V18-I30 CarbonylContact O-C 3.58Å; V18-I30 WeakPolarHBondContact O-CA 2.95Å; I30-V32 HydrophobicContact CG2-CG1 3.74Å; I30-L41 HydrophobicContact CB-CB 4.31Å; I30-L41 PolarHBondContact N-O 2.85Å; I30-L41 PolarHBondContact O-N 3.22Å; I30-P43 HydrophobicContact CD1-CG 4.14Å; I30-L342 HydrophobicContact CD1-CD1 4.25Å; I30-L342 HydrophobicContact CG1-CD2 4.15Å; I30-F348 HydrophobicContact CD1-CB 3.62Å; I30-F348 HydrophobicContact CD1-CD1 3.87Å; I30-F348 HydrophobicContact CD1-CD2 4.02Å; I30-F348 HydrophobicContact CD1-CG 3.57Å; I30-F348 HydrophobicContact CG2-CD1 3.99Å; I30-F348 HydrophobicContact CG2-CE1 4.09Å
31	A	97.6	Very high	94.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.4	169	0	0	0	0	0	108.7	A17 V18 F22 E39 L40 F65 L78	A17-A31 WeakPolarHBondContact CA-O 3.09Å; V18-A31 HydrophobicContact CG2-CB 4.05Å; V18-A31 PolarHBondContact N-O 3.09Å; V18-A31 PolarHBondContact O-N 2.85Å; F22-A31 HydrophobicContact CD2-CB 4.35Å; F22-A31 HydrophobicContact CE2-CB 3.72Å; F22-A31 HydrophobicContact CZ-CB 3.88Å; A31-E39 CarbonylContact C-O 3.58Å; A31-E39 WeakPolarHBondContact CA-O 3.47Å; A31-L40 HydrophobicContact CB-CD1 4.1Å; A31-F65 HydrophobicContact CB-CE1 3.6Å; A31-F65 HydrophobicContact CB-CZ 3.88Å; A31-F65 WeakPolarHBondContact O-CE1 3.27Å; A31-L78 HydrophobicContact CB-CD2 4.37Å
32	V	97.6	Very high	94.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.8	-178.9	-57.7	0	0	0	0	111.2	I14 H16 A17 I30 I38 E39 L41 F348	I14-V32 HydrophobicContact CD1-CB 4.34Å; I14-V32 HydrophobicContact CD1-CG1 4.13Å; I14-V32 HydrophobicContact CG1-CB 4.42Å; I14-V32 HydrophobicContact CG2-CB 4.16Å; I14-V32 HydrophobicContact CG2-CG1 4.4Å; H16-V32 WeakPolarHBondContact O-CA 3.12Å; A17-V32 HydrophobicContact CB-CG1 3.93Å; I30-V32 HydrophobicContact CG2-CG1 3.74Å; V32-I38 WeakPolarHBondContact O-CA 3.44Å; V32-E39 HydrophobicContact CG2-CB 3.72Å; V32-E39 HydrophobicContact CG2-CG 4.45Å; V32-E39 PolarHBondContact N-O 3.29Å; V32-E39 PolarHBondContact O-N 3.03Å; V32-L41 HydrophobicContact CG1-CD1 3.77Å; V32-L41 HydrophobicContact CG1-CG 4.42Å; V32-L41 HydrophobicContact CG2-CD1 4Å; V32-L41 HydrophobicContact CG2-CG 4.19Å; V32-F348 HydrophobicContact CG1-CE1 4.26Å
33	A	97.1	Very high	94.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.9	170.4	0	0	0	0	0	109.6	T15 H16 I37 V62 F65	T15-A33 PolarHBondContact N-O 3.36Å; T15-A33 PolarHBondContact OG1-O 3.36Å; H16-A33 HydrophobicContact CB-CB 4.17Å; H16-A33 PolarHBondContact N-O 3.37Å; H16-A33 PolarHBondContact O-N 3.42Å; A33-I37 WeakPolarHBondContact CA-O 3.28Å; A33-V62 HydrophobicContact CB-CB 4.08Å; A33-V62 HydrophobicContact CB-CG1 3.74Å; A33-F65 HydrophobicContact CB-CD2 4.41Å; A33-F65 HydrophobicContact CB-CG 4.45Å
34	R	96.2	Very high	94.5	Very high	13 Å²	13	27.9 Å²	27.9	5%	0.049	14%	0.143	C	C	.	.			trans	-107.3	44.2	175.6	-53.1	-169.5	-170.4	-93.3	1.2	111.1	A11 T12 G13 I14 K36 I37 E39	A11-R34 HydrophobicContact CB-CB 4.26Å; A11-R34 WeakPolarHBondContact O-CD 3.4Å; T12-R34 PolarHBondContact O-NH1 3.32Å; G13-R34 VanDerWaalsContact O-CA 3.27Å; G13-R34 WeakPolarHBondContact O-CA 3.48Å; G13-R34 WeakPolarHBondContact O-CB 3.19Å; G13-R34 WeakPolarHBondContact O-CG 3.34Å; I14-R34 HydrophobicContact CG1-CG 4.37Å; R34-K36 PolarHBondContact O-N 3.12Å; R34-I37 HydrophobicContact CB-CB 4.27Å; R34-I37 PolarHBondContact N-O 2.79Å; R34-E39 IonicContact CZ-OE2 3.4Å; R34-E39 IonicContact NE-OE1 2.73Å; R34-E39 IonicContact NE-OE2 3.33Å; R34-E39 PolarHBondContact NE-OE2 2.97Å; R34-E39 IonicContact NH2-OE2 3.71Å; R34-E39 PolarHBondContact NH2-OE2 2.84Å
35	G	93.1	Very high	94.3	Very high	17 Å²	17	29 Å²	29	18%	0.175	15%	0.145	C	C	.	.	S	Bend	trans	73.8	-79.2	-171.9	0	0	0	0	0	112.9	V62	G35-V62 PolarHBondContact O-N 2.94Å
36	K	94.5	Very high	94.1	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.017	16%	0.162	C	C	.	.	S	Bend	trans	-96.8	-3.9	-177.8	74.4	177.2	-179.3	166	0	115	R34 A58 G60 V1106 E1108	R34-K36 PolarHBondContact O-N 3.12Å; K36-A58 WeakPolarHBondContact O-CB 3.48Å; K36-A58 PolarHBondContact O-N 2.85Å; K36-G60 WeakPolarHBondContact CA-O 3.06Å; K36-V1106 PolarHBondContact NZ-O 2.94Å; K36-E1108 WeakPolarHBondContact CE-OE1 3.16Å
37	I	95.4	Very high	93.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.6	-175.1	-53	-178.8	0	0	0	109.1	R10 A11 A33 R34 E39 T55 C56	R10-I37 HydrophobicContact CB-CD1 3.71Å; R10-I37 HydrophobicContact CG-CD1 4.04Å; A11-I37 HydrophobicContact CB-CD1 4.25Å; A33-I37 WeakPolarHBondContact CA-O 3.28Å; R34-I37 HydrophobicContact CB-CB 4.27Å; R34-I37 PolarHBondContact N-O 2.79Å; I37-E39 HydrophobicContact CG2-CG 3.79Å; I37-T55 HydrophobicContact CG2-CG2 3.47Å; I37-T55 VanDerWaalsContact CG2-CG2 3.47Å; I37-C56 WeakPolarHBondContact CA-O 3.37Å; I37-C56 WeakPolarHBondContact CG2-O 3.42Å
38	I	96.3	Very high	93.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128	169.3	-61.1	172.2	0	0	0	107.5	V32 C56 A58 V62 F65 L78 V80 L90 F99 V1165	V32-I38 WeakPolarHBondContact O-CA 3.44Å; I38-C56 PolarHBondContact N-O 2.77Å; I38-C56 PolarHBondContact O-N 2.85Å; I38-A58 HydrophobicContact CD1-CB 4.45Å; I38-V62 HydrophobicContact CD1-CG2 4.22Å; I38-V62 HydrophobicContact CG1-CG2 4.07Å; I38-F65 HydrophobicContact CD1-CE2 4.28Å; I38-F65 HydrophobicContact CG1-CE2 4.28Å; I38-F65 HydrophobicContact CG2-CE2 4.11Å; I38-F65 HydrophobicContact CG2-CZ 3.93Å; I38-L78 HydrophobicContact CG2-CD2 4.39Å; I38-V80 HydrophobicContact CD1-CG1 4.44Å; I38-V80 HydrophobicContact CD1-CG2 4.31Å; I38-L90 HydrophobicContact CD1-CD1 4.06Å; I38-F99 HydrophobicContact CG2-CE2 3.96Å; I38-F99 HydrophobicContact CG2-CZ 4.39Å; I38-V1165 HydrophobicContact CD1-CG1 4.35Å
39	E	95.3	Very high	93.5	Very high	12 Å²	12	25 Å²	25	6%	0.056	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	151.7	176.4	-52.3	-165.8	142.6	0	0	111.8	A31 V32 R34 I37 L41 L54 T55	A31-E39 CarbonylContact C-O 3.58Å; A31-E39 WeakPolarHBondContact CA-O 3.47Å; V32-E39 HydrophobicContact CG2-CB 3.72Å; V32-E39 HydrophobicContact CG2-CG 4.45Å; V32-E39 PolarHBondContact N-O 3.29Å; V32-E39 PolarHBondContact O-N 3.03Å; R34-E39 IonicContact CZ-OE2 3.4Å; R34-E39 IonicContact NE-OE1 2.73Å; R34-E39 IonicContact NE-OE2 3.33Å; R34-E39 PolarHBondContact NE-OE2 2.97Å; R34-E39 IonicContact NH2-OE2 3.71Å; R34-E39 PolarHBondContact NH2-OE2 2.84Å; I37-E39 HydrophobicContact CG2-CG 3.79Å; E39-L41 HydrophobicContact CB-CD2 4.45Å; E39-L54 CarbonylContact C-O 3.58Å; E39-L54 WeakPolarHBondContact CA-O 3.42Å; E39-T55 HydrophobicContact CG-CG2 3.89Å; E39-T55 WeakPolarHBondContact OE1-CG2 3.46Å; E39-T55 PolarHBondContact OE1-OG1 2.77Å
40	L	96.1	Very high	93.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.9	171	-168.9	69	0	0	0	109.2	F22 E29 A31 L53 L54 Y92 F99	F22-L40 HydrophobicContact CB-CD1 4.18Å; F22-L40 HydrophobicContact CD2-CD1 3.73Å; F22-L40 HydrophobicContact CE2-CD1 4.45Å; F22-L40 HydrophobicContact CG-CD1 4.16Å; E29-L40 HydrophobicContact CB-CD1 3.79Å; E29-L40 HydrophobicContact CB-CG 4.17Å; A31-L40 HydrophobicContact CB-CD1 4.1Å; L40-L53 HydrophobicContact CD2-CD1 4.03Å; L40-L53 HydrophobicContact CG-CD1 4.33Å; L40-L53 PolarHBondContact O-N 2.81Å; L40-L54 HydrophobicContact CB-CB 4.32Å; L40-L54 PolarHBondContact N-O 2.88Å; L40-L54 PolarHBondContact O-N 2.78Å; L40-Y92 HydrophobicContact CD2-CD1 3.43Å; L40-Y92 VanDerWaalsContact CD2-CD1 3.43Å; L40-Y92 HydrophobicContact CD2-CD2 3.74Å; L40-Y92 HydrophobicContact CD2-CE1 3.45Å; L40-Y92 VanDerWaalsContact CD2-CE1 3.45Å; L40-Y92 HydrophobicContact CD2-CE2 3.76Å; L40-Y92 HydrophobicContact CD2-CG 3.58Å; L40-F99 HydrophobicContact CB-CE2 4.36Å; L40-F99 HydrophobicContact CB-CZ 4.02Å; L40-F99 HydrophobicContact CD1-CZ 4.38Å
41	L	95.1	Very high	92.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.8	-177.9	-49.9	178.4	0	0	0	109.6	E29 I30 V32 E39 V50 Y51 T52 F348 M401	E29-L41 CarbonylContact C-O 3.57Å; E29-L41 WeakPolarHBondContact CA-O 3.37Å; E29-L41 WeakPolarHBondContact CB-O 3.23Å; I30-L41 HydrophobicContact CB-CB 4.31Å; I30-L41 PolarHBondContact N-O 2.85Å; I30-L41 PolarHBondContact O-N 3.22Å; V32-L41 HydrophobicContact CG1-CD1 3.77Å; V32-L41 HydrophobicContact CG1-CG 4.42Å; V32-L41 HydrophobicContact CG2-CD1 4Å; V32-L41 HydrophobicContact CG2-CG 4.19Å; E39-L41 HydrophobicContact CB-CD2 4.45Å; L41-V50 HydrophobicContact CB-CG1 3.84Å; L41-V50 HydrophobicContact CD1-CG1 4.23Å; L41-V50 HydrophobicContact CG-CG1 4.47Å; L41-Y51 CarbonylContact C-O 3.59Å; L41-Y51 WeakPolarHBondContact CA-O 3.45Å; L41-T52 HydrophobicContact CD2-CG2 4.07Å; L41-T52 WeakPolarHBondContact CD2-OG1 3.42Å; L41-F348 HydrophobicContact CD1-CZ 4.25Å; L41-M401 HydrophobicContact CD1-CE 3.95Å; L41-M401 HydrophobicContact CD1-SD 3.95Å; L41-M401 HydrophobicContact CD2-CE 4.1Å
42	R	93.5	Very high	92.5	Very high	73 Å²	73	32.1 Å²	32.1	28%	0.275	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	107.8	173.1	-177.5	177	-69.8	159.8	1.2	109.4	E29 D44 Y51 L53	E29-R42 IonicContact OE1-NH2 2.71Å; R42-D44 PolarHBondContact O-N 3.14Å; R42-Y51 PolarHBondContact N-O 2.97Å; R42-Y51 PolarHBondContact O-N 3.16Å; R42-L53 HydrophobicContact CB-CD1 3.85Å; R42-L53 HydrophobicContact CB-CD2 4.05Å; R42-L53 HydrophobicContact CB-CG 3.85Å
43	P	93.6	Very high	92.1	Very high	11 Å²	11	33.6 Å²	33.6	7%	0.071	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	120.4	166.3	28.3	-27.9	0	0	0	108.7	I30 P45 V50 L342 L358	I30-P43 HydrophobicContact CD1-CG 4.14Å; P43-P45 WeakPolarHBondContact O-CD 3.4Å; P43-V50 HydrophobicContact CB-CG2 4.42Å; P43-L342 HydrophobicContact CB-CD1 4.16Å; P43-L342 HydrophobicContact CG-CD1 3.45Å; P43-L342 VanDerWaalsContact CG-CD1 3.45Å; P43-L358 HydrophobicContact CB-CD2 4.03Å
44	D	89.7	Confident	91.8	Very high	36 Å²	36	34.3 Å²	34.3	19%	0.193	18%	0.179	C	C	.	.			trans	-77.6	118.7	174.1	174.7	14.4	0	0	0	109.6	R42 N46 T47 G48 K49 Y51	R42-D44 PolarHBondContact O-N 3.14Å; D44-N46 PolarHBondContact O-N 2.88Å; D44-N46 PolarHBondContact OD1-N 3.49Å; D44-T47 WeakPolarHBondContact CB-OG1 3.31Å; D44-T47 VanDerWaalsContact CG-OG1 3.3Å; D44-T47 WeakPolarHBondContact OD2-CB 3.48Å; D44-T47 VanDerWaalsContact OD2-CG2 3.26Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.45Å; D44-T47 PolarHBondContact OD2-N 2.79Å; D44-T47 PolarHBondContact OD2-OG1 3.19Å; D44-G48 WeakPolarHBondContact O-CA 3.37Å; D44-G48 PolarHBondContact O-N 3.18Å; D44-K49 PolarHBondContact N-O 2.68Å; D44-Y51 HydrophobicContact CB-CD2 4.16Å; D44-Y51 HydrophobicContact CB-CE2 3.76Å
45	P	88.7	Confident	91.6	Very high	52 Å²	52	34.6 Å²	34.6	34%	0.338	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.5	-179.4	27.4	-36.4	0	0	0	114.1	P43 T344 F346	P43-P45 WeakPolarHBondContact O-CD 3.4Å; P45-T344 HydrophobicContact CB-CG2 4.21Å; P45-F346 HydrophobicContact CB-CE2 4.39Å
46	N	87.8	Confident	91.6	Very high	148 Å²	148	35 Å²	35	79%	0.791	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-53.7	-177.1	-62.8	-32.3	0	0	0	111.9	D44	D44-N46 PolarHBondContact O-N 2.88Å; D44-N46 PolarHBondContact OD1-N 3.49Å
47	T	85.5	Confident	91.5	Very high	77 Å²	77	35.9 Å²	35.9	47%	0.472	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-20.4	179.9	60.5	0	0	0	0	112.7	D44 K49	D44-T47 WeakPolarHBondContact CB-OG1 3.31Å; D44-T47 VanDerWaalsContact CG-OG1 3.3Å; D44-T47 WeakPolarHBondContact OD2-CB 3.48Å; D44-T47 VanDerWaalsContact OD2-CG2 3.26Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.45Å; D44-T47 PolarHBondContact OD2-N 2.79Å; D44-T47 PolarHBondContact OD2-OG1 3.19Å; T47-K49 PolarHBondContact O-N 2.9Å; T47-K49 PolarHBondContact OG1-N 3.06Å
48	G	87.8	Confident	91.4	Very high	3 Å²	3	35.9 Å²	35.9	3%	0.031	19%	0.186	C	C	.	.			trans	73.9	3.2	-173.6	0	0	0	0	0	114.5	D44 L358 D399	D44-G48 WeakPolarHBondContact O-CA 3.37Å; D44-G48 PolarHBondContact O-N 3.18Å; G48-L358 VanDerWaalsContact O-CD2 3.28Å; G48-L358 WeakPolarHBondContact O-CD2 3.25Å; G48-D399 WeakPolarHBondContact O-CB 3.48Å
49	K	88.9	Confident	91.4	Very high	79 Å²	79	36.1 Å²	36.1	34%	0.343	19%	0.187	S	C	.	.			trans	-81.3	146.7	-179.8	-66.6	-54.1	-165.6	-173.3	0	112.3	D44 T47 Y51 D399	D44-K49 PolarHBondContact N-O 2.68Å; T47-K49 PolarHBondContact O-N 2.9Å; T47-K49 PolarHBondContact OG1-N 3.06Å; K49-Y51 HydrophobicContact CB-CE2 3.96Å; K49-D399 HydrophobicContact CD-CB 4.24Å; K49-D399 VanDerWaalsContact CD-CG 3.47Å; K49-D399 VanDerWaalsContact CD-OD1 3.27Å; K49-D399 WeakPolarHBondContact CD-OD1 3.42Å; K49-D399 IonicContact NZ-OD1 3.4Å; K49-D399 PolarHBondContact NZ-OD1 2.66Å
50	V	91.5	Very high	91.4	Very high	18 Å²	18	35.5 Å²	35.5	11%	0.109	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114.7	176.2	-174.5	0	0	0	0	110.7	L41 P43 L358 D399 M401	L41-V50 HydrophobicContact CB-CG1 3.84Å; L41-V50 HydrophobicContact CD1-CG1 4.23Å; L41-V50 HydrophobicContact CG-CG1 4.47Å; P43-V50 HydrophobicContact CB-CG2 4.42Å; V50-L358 HydrophobicContact CG2-CB 4.08Å; V50-L358 HydrophobicContact CG2-CD2 3.83Å; V50-L358 HydrophobicContact CG2-CG 4.4Å; V50-D399 PolarHBondContact N-OD2 3.09Å; V50-M401 HydrophobicContact CB-CG 4.28Å; V50-M401 HydrophobicContact CB-SD 4.06Å; V50-M401 HydrophobicContact CG1-CE 4.25Å; V50-M401 HydrophobicContact CG1-SD 3.69Å
51	Y	89	Confident	91.4	Very high	98 Å²	98	37.5 Å²	37.5	38%	0.384	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132	178.5	-61.1	-78.4	0	0	0	112	L41 R42 D44 K49 L53	L41-Y51 CarbonylContact C-O 3.59Å; L41-Y51 WeakPolarHBondContact CA-O 3.45Å; R42-Y51 PolarHBondContact N-O 2.97Å; R42-Y51 PolarHBondContact O-N 3.16Å; D44-Y51 HydrophobicContact CB-CD2 4.16Å; D44-Y51 HydrophobicContact CB-CE2 3.76Å; K49-Y51 HydrophobicContact CB-CE2 3.96Å; Y51-L53 PolarHBondContact O-N 2.9Å
52	T	90.5	Very high	91.5	Very high	34 Å²	34	37.8 Å²	37.8	21%	0.209	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	105.8	172.9	-55.4	0	0	0	0	110.5	L41 T55 Y730 Q731	L41-T52 HydrophobicContact CD2-CG2 4.07Å; L41-T52 WeakPolarHBondContact CD2-OG1 3.42Å; T52-T55 WeakPolarHBondContact CG2-OG1 3.41Å; T52-Y730 PolarHBondContact O-OH 2.89Å; T52-Q731 PolarHBondContact O-NE2 2.8Å
53	L	89.3	Confident	91.6	Very high	30 Å²	30	35.2 Å²	35.2	16%	0.157	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-46.6	-179.7	-62.8	-179.1	0	0	0	112.4	E29 L40 R42 Y51 N97	E29-L53 HydrophobicContact CG-CD1 4.39Å; L40-L53 HydrophobicContact CD2-CD1 4.03Å; L40-L53 HydrophobicContact CG-CD1 4.33Å; L40-L53 PolarHBondContact O-N 2.81Å; R42-L53 HydrophobicContact CB-CD1 3.85Å; R42-L53 HydrophobicContact CB-CD2 4.05Å; R42-L53 HydrophobicContact CB-CG 3.85Å; Y51-L53 PolarHBondContact O-N 2.9Å; L53-N97 PolarHBondContact O-ND2 3.11Å
54	L	90.8	Very high	91.8	Very high	15 Å²	15	35 Å²	35	8%	0.079	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	137.4	-172.5	179.4	59.7	0	0	0	110.1	E39 L40 Y92 N97 F99	E39-L54 CarbonylContact C-O 3.58Å; E39-L54 WeakPolarHBondContact CA-O 3.42Å; L40-L54 HydrophobicContact CB-CB 4.32Å; L40-L54 PolarHBondContact N-O 2.88Å; L40-L54 PolarHBondContact O-N 2.78Å; L54-Y92 HydrophobicContact CB-CE2 4.47Å; L54-Y92 HydrophobicContact CD2-CD2 4.12Å; L54-Y92 HydrophobicContact CD2-CE2 3.96Å; L54-N97 VanDerWaalsContact CD1-O 3.31Å; L54-N97 WeakPolarHBondContact CD1-O 3.47Å; L54-F99 HydrophobicContact CD2-CD2 3.43Å; L54-F99 VanDerWaalsContact CD2-CD2 3.43Å; L54-F99 HydrophobicContact CD2-CE2 3.7Å; L54-F99 HydrophobicContact CD2-CG 4.11Å; L54-F99 HydrophobicContact CG-CD2 4.33Å; L54-F99 HydrophobicContact CG-CE2 4.35Å
55	T	91.9	Very high	91.9	Very high	19 Å²	19	33.5 Å²	33.5	12%	0.117	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.9	169.8	-60.7	0	0	0	0	109	R10 I37 E39 T52	R10-T55 PolarHBondContact NH1-OG1 2.8Å; I37-T55 HydrophobicContact CG2-CG2 3.47Å; I37-T55 VanDerWaalsContact CG2-CG2 3.47Å; E39-T55 HydrophobicContact CG-CG2 3.89Å; E39-T55 WeakPolarHBondContact OE1-CG2 3.46Å; E39-T55 PolarHBondContact OE1-OG1 2.77Å; T52-T55 WeakPolarHBondContact CG2-OG1 3.41Å
56	C	92.3	Very high	92.2	Very high	26 Å²	26	34.4 Å²	34.4	18%	0.176	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.5	177.5	-61.8	0	0	0	0	111.6	I37 I38 L1164	I37-C56 WeakPolarHBondContact CA-O 3.37Å; I37-C56 WeakPolarHBondContact CG2-O 3.42Å; I38-C56 PolarHBondContact N-O 2.77Å; I38-C56 PolarHBondContact O-N 2.85Å; C56-L1164 HydrophobicContact CB-CD1 3.31Å; C56-L1164 HydrophobicContact CB-CG 4.4Å
57	E	93.1	Very high	92.6	Very high	23 Å²	23	29 Å²	29	11%	0.107	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	125.1	169	-64.7	-146.5	169.3	0	0	110.5	F59 D1186	E57-F59 HydrophobicContact CB-CD2 4.44Å; E57-F59 HydrophobicContact CB-CE1 4.16Å; E57-F59 HydrophobicContact CB-CE2 4Å; E57-F59 HydrophobicContact CB-CZ 3.85Å; E57-F59 VanDerWaalsContact OE2-CE1 3.32Å; E57-F59 WeakPolarHBondContact OE2-CE1 2.94Å; E57-D1186 VanDerWaalsContact OE2-CB 3.3Å; E57-D1186 WeakPolarHBondContact OE2-CB 3.12Å
58	A	93.1	Very high	92.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.			trans	-82.3	-22.4	180	0	0	0	0	0	112.6	K36 I38 G60 S1163 V1165	K36-A58 WeakPolarHBondContact O-CB 3.48Å; K36-A58 PolarHBondContact O-N 2.85Å; I38-A58 HydrophobicContact CD1-CB 4.45Å; A58-G60 PolarHBondContact O-N 2.9Å; A58-S1163 WeakPolarHBondContact O-CB 3.17Å; A58-S1163 PolarHBondContact O-OG 3.12Å; A58-V1165 HydrophobicContact CB-CG1 3.99Å; A58-V1165 HydrophobicContact CB-CG2 4.21Å
59	F	95.2	Very high	93.2	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.018	14%	0.142	C	C	.	.	S	Bend	trans	51.5	40.1	-169.9	-54.5	-73.1	0	0	0	113	E57 R1167 H1169 Y1172 D1186 L1187 I1190	E57-F59 HydrophobicContact CB-CD2 4.44Å; E57-F59 HydrophobicContact CB-CE1 4.16Å; E57-F59 HydrophobicContact CB-CE2 4Å; E57-F59 HydrophobicContact CB-CZ 3.85Å; E57-F59 VanDerWaalsContact OE2-CE1 3.32Å; E57-F59 WeakPolarHBondContact OE2-CE1 2.94Å; F59-R1167 VanDerWaalsContact O-CB 3.31Å; F59-R1167 WeakPolarHBondContact O-CB 3.22Å; F59-R1167 VanDerWaalsContact O-CG 3.25Å; F59-R1167 WeakPolarHBondContact O-CG 3.42Å; F59-H1169 AromaticContact CD1-CD2 3.67Å; F59-H1169 AromaticContact CG-CD2 3.95Å; F59-Y1172 HydrophobicContact CB-CD1 4.16Å; F59-Y1172 HydrophobicContact CB-CE1 4.49Å; F59-Y1172 WeakPolarHBondContact O-CB 3.45Å; F59-Y1172 WeakPolarHBondContact O-CD2 3.3Å; F59-D1186 HydrophobicContact CE1-CB 4.18Å; F59-L1187 HydrophobicContact CE1-CB 4.21Å; F59-L1187 HydrophobicContact CE2-CD1 3.86Å; F59-L1187 HydrophobicContact CZ-CB 3.95Å; F59-L1187 HydrophobicContact CZ-CD1 3.99Å; F59-I1190 HydrophobicContact CE2-CD1 3.47Å; F59-I1190 VanDerWaalsContact CE2-CD1 3.47Å; F59-I1190 HydrophobicContact CZ-CD1 3.56Å
60	G	95.4	Very high	93.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-166.6	169.3	-179.9	0	0	0	0	0	109.5	K36 A58 D83	K36-G60 WeakPolarHBondContact CA-O 3.06Å; A58-G60 PolarHBondContact O-N 2.9Å; G60-D83 WeakPolarHBondContact CA-OD1 3.34Å
61	I	96.6	Very high	93.2	Very high	42 Å²	42	28.7 Å²	28.7	22%	0.215	15%	0.145	C	C	.	.			trans	-95.4	112.9	179.3	-55.4	172.9	0	0	0	108	R63 S82 D83	I61-R63 HydrophobicContact CG2-CG 4.27Å; I61-R63 PolarHBondContact O-N 2.8Å; I61-S82 CarbonylContact O-C 3.55Å; I61-S82 WeakPolarHBondContact O-CA 3.33Å; I61-S82 VanDerWaalsContact O-CB 3.32Å; I61-S82 WeakPolarHBondContact O-CB 3.44Å; I61-D83 HydrophobicContact CB-CB 4.21Å; I61-D83 PolarHBondContact N-OD1 3.38Å; I61-D83 PolarHBondContact O-N 2.78Å
62	V	96.9	Very high	93.1	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.03	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	121	171	179.8	0	0	0	0	108.6	A33 G35 I38 F65 V80 V1165	A33-V62 HydrophobicContact CB-CB 4.08Å; A33-V62 HydrophobicContact CB-CG1 3.74Å; G35-V62 PolarHBondContact O-N 2.94Å; I38-V62 HydrophobicContact CD1-CG2 4.22Å; I38-V62 HydrophobicContact CG1-CG2 4.07Å; V62-F65 HydrophobicContact CG1-CB 4.36Å; V62-F65 HydrophobicContact CG1-CD2 3.91Å; V62-V80 HydrophobicContact CG1-CG1 3.92Å; V62-V80 HydrophobicContact CG2-CG1 4.09Å; V62-V1165 HydrophobicContact CG2-CG1 4.37Å
63	R	96.9	Very high	93	Very high	19 Å²	19	27.1 Å²	27.1	7%	0.072	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-27.1	-173.7	-67.7	172.9	69	-172.1	8	112.9	H16 I61 G81 G118	H16-R63 PolarHBondContact CE1-O 3.06Å; H16-R63 PolarHBondContact NE2-O 3.27Å; I61-R63 HydrophobicContact CG2-CG 4.27Å; I61-R63 PolarHBondContact O-N 2.8Å; R63-G81 PolarHBondContact N-O 2.88Å; R63-G118 VanDerWaalsContact CB-O 3.24Å; R63-G118 WeakPolarHBondContact CB-O 3.45Å
64	S	96.1	Very high	93	Very high	6 Å²	6	31.8 Å²	31.8	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	148.9	174.8	51	0	0	0	0	110.2	G81 G118 Q119	S64-G81 PolarHBondContact N-O 2.93Å; S64-G81 VanDerWaalsContact N-O 3.09Å; S64-G81 PolarHBondContact O-N 3.15Å; S64-G81 WeakPolarHBondContact OG-CA 3.46Å; S64-G118 PolarHBondContact OG-O 2.83Å; S64-Q119 WeakPolarHBondContact CB-O 3.43Å
65	F	92.4	Very high	93.2	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	114.2	-165.5	-159.7	-111.2	0	0	0	109	H16 V18 A31 A33 I38 V62 L78 V80	H16-F65 HydrophobicContact CB-CB 3.89Å; V18-F65 HydrophobicContact CB-CD1 4.46Å; V18-F65 HydrophobicContact CG1-CD1 4.13Å; V18-F65 WeakPolarHBondContact CG1-O 3.49Å; V18-F65 HydrophobicContact CG2-CD1 3.56Å; V18-F65 HydrophobicContact CG2-CE1 3.6Å; A31-F65 HydrophobicContact CB-CE1 3.6Å; A31-F65 HydrophobicContact CB-CZ 3.88Å; A31-F65 WeakPolarHBondContact O-CE1 3.27Å; A33-F65 HydrophobicContact CB-CD2 4.41Å; A33-F65 HydrophobicContact CB-CG 4.45Å; I38-F65 HydrophobicContact CD1-CE2 4.28Å; I38-F65 HydrophobicContact CG1-CE2 4.28Å; I38-F65 HydrophobicContact CG2-CE2 4.11Å; I38-F65 HydrophobicContact CG2-CZ 3.93Å; V62-F65 HydrophobicContact CG1-CB 4.36Å; V62-F65 HydrophobicContact CG1-CD2 3.91Å; F65-L78 HydrophobicContact CD1-CD1 3.86Å; F65-L78 HydrophobicContact CD2-CD1 3.99Å; F65-L78 HydrophobicContact CD2-CD2 4.48Å; F65-L78 HydrophobicContact CD2-CG 4.42Å; F65-L78 HydrophobicContact CE1-CD1 3.52Å; F65-L78 HydrophobicContact CE1-CD2 4.13Å; F65-L78 HydrophobicContact CE1-CG 4.39Å; F65-L78 HydrophobicContact CE2-CD1 3.68Å; F65-L78 HydrophobicContact CE2-CD2 3.45Å; F65-L78 VanDerWaalsContact CE2-CD2 3.45Å; F65-L78 HydrophobicContact CE2-CG 3.82Å; F65-L78 HydrophobicContact CG-CD1 4.09Å; F65-L78 HydrophobicContact CZ-CD1 3.44Å; F65-L78 VanDerWaalsContact CZ-CD1 3.44Å; F65-L78 HydrophobicContact CZ-CD2 3.23Å; F65-L78 HydrophobicContact CZ-CG 3.81Å; F65-V80 HydrophobicContact CD2-CG1 4.3Å; F65-V80 HydrophobicContact CD2-CG2 3.94Å; F65-V80 HydrophobicContact CE2-CG2 3.85Å
66	M	95.8	Very high	93.3	Very high	70 Å²	70	32.1 Å²	32.1	35%	0.345	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	139.4	-176.8	-71.9	-65.1	-74	0	0	111.9	I79 L121 V123	M66-I79 PolarHBondContact N-O 3.06Å; M66-I79 VanDerWaalsContact N-O 3.1Å; M66-I79 PolarHBondContact O-N 2.86Å; M66-L121 HydrophobicContact CB-CD2 3.78Å; M66-L121 HydrophobicContact CB-CG 4.27Å; M66-L121 HydrophobicContact CG-CB 4.31Å; M66-L121 HydrophobicContact CG-CD2 3.95Å; M66-L121 HydrophobicContact CG-CG 4.11Å; M66-V123 HydrophobicContact CB-CG2 3.81Å; M66-V123 HydrophobicContact CG-CG2 4.46Å
67	P	95.4	Very high	93.5	Very high	35 Å²	35	31.8 Å²	31.8	23%	0.227	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	151.3	170.4	34.4	-30.6	0	0	0	109.5	V18 F22 Y77	V18-P67 HydrophobicContact CB-CG 4.11Å; V18-P67 HydrophobicContact CG2-CG 4.45Å; F22-P67 HydrophobicContact CE1-CB 4.19Å; F22-P67 HydrophobicContact CZ-CB 4.08Å; P67-Y77 CarbonylContact C-O 3.59Å; P67-Y77 WeakPolarHBondContact CA-O 3.32Å
68	F	92.3	Very high	93.7	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	147.6	166	84.6	-81.9	0	0	0	111.7	L70 Y77 I79 V89 V123 M144 L152	F68-L70 HydrophobicContact CE2-CD2 3.97Å; F68-L70 HydrophobicContact CE2-CG 4.05Å; F68-Y77 HydrophobicContact CE1-CD2 4.26Å; F68-Y77 AromaticContact CE1-CG 3.86Å; F68-Y77 HydrophobicContact CE1-CG 3.86Å; F68-Y77 AromaticContact CE2-CD2 3.97Å; F68-Y77 HydrophobicContact CE2-CD2 3.97Å; F68-Y77 HydrophobicContact CE2-CG 4.37Å; F68-Y77 VanDerWaalsContact CZ-CB 3.42Å; F68-Y77 AromaticContact CZ-CD2 3.72Å; F68-Y77 HydrophobicContact CZ-CD2 3.72Å; F68-Y77 AromaticContact CZ-CG 3.68Å; F68-Y77 HydrophobicContact CZ-CG 3.68Å; F68-Y77 PolarHBondContact N-O 2.83Å; F68-Y77 PolarHBondContact O-N 3.01Å; F68-I79 HydrophobicContact CB-CD1 3.99Å; F68-I79 HydrophobicContact CD1-CD1 3.33Å; F68-I79 HydrophobicContact CD1-CG1 3.41Å; F68-I79 VanDerWaalsContact CD1-CG1 3.41Å; F68-I79 HydrophobicContact CE1-CD1 3.88Å; F68-I79 HydrophobicContact CE1-CG1 3.63Å; F68-I79 HydrophobicContact CG-CD1 3.81Å; F68-I79 HydrophobicContact CG-CG1 4.37Å; F68-V89 HydrophobicContact CE1-CG1 3.56Å; F68-V89 HydrophobicContact CE1-CG2 4.4Å; F68-V89 HydrophobicContact CZ-CG1 3.94Å; F68-V123 HydrophobicContact CB-CG1 3.56Å; F68-M144 HydrophobicContact CE1-CE 4.19Å; F68-M144 HydrophobicContact CE2-CE 4.06Å; F68-M144 HydrophobicContact CZ-CE 3.62Å; F68-L152 HydrophobicContact CE2-CD1 3.81Å; F68-L152 HydrophobicContact CZ-CD1 3.76Å; F68-L152 HydrophobicContact CZ-CD2 3.69Å; F68-L152 HydrophobicContact CZ-CG 4.37Å
69	R	93.6	Very high	93.8	Very high	80 Å²	80	30.8 Å²	30.8	30%	0.302	18%	0.176	S	C	.	.			trans	-121.5	121.8	177.8	-166.5	176.2	-66.7	-154.1	-4.9	109.7	N21 S73 D76 G127	N21-R69 PolarHBondContact OD1-NH2 2.92Å; R69-S73 WeakPolarHBondContact CD-O 3.34Å; R69-D76 VanDerWaalsContact CB-OD1 3.23Å; R69-D76 WeakPolarHBondContact CB-OD1 3.48Å; R69-D76 WeakPolarHBondContact CG-OD1 3.28Å; R69-D76 IonicContact CZ-OD1 2.87Å; R69-D76 VanDerWaalsContact CZ-OD1 3.31Å; R69-D76 IonicContact CZ-OD2 3.67Å; R69-D76 IonicContact NE-OD1 3.82Å; R69-D76 PolarHBondContact NE-OD1 2.91Å; R69-D76 IonicContact NE-OD2 3.13Å; R69-D76 VanDerWaalsContact NH2-CG 3.29Å; R69-D76 IonicContact NH2-OD1 3.28Å; R69-D76 PolarHBondContact NH2-OD1 2.87Å; R69-D76 VanDerWaalsContact NH2-OD1 3.12Å; R69-D76 IonicContact NH2-OD2 2.8Å; R69-D76 PolarHBondContact NH2-OD2 2.75Å; R69-G127 VanDerWaalsContact O-CA 3.29Å; R69-G127 WeakPolarHBondContact O-CA 3.45Å
70	L	91.9	Very high	93.9	Very high	13 Å²	13	30.6 Å²	30.6	7%	0.068	18%	0.175	C	C	.	.			trans	-63.2	144.9	168.8	-67.7	174.7	0	0	0	110.2	F68 G72 S73 Y77 M144 R146 L152	F68-L70 HydrophobicContact CE2-CD2 3.97Å; F68-L70 HydrophobicContact CE2-CG 4.05Å; L70-G72 PolarHBondContact O-N 2.76Å; L70-G72 VanDerWaalsContact O-N 3.17Å; L70-S73 WeakPolarHBondContact O-CB 3.44Å; L70-S73 PolarHBondContact O-N 2.84Å; L70-Y77 HydrophobicContact CD1-CE2 4.21Å; L70-M144 HydrophobicContact CD2-CB 4.28Å; L70-R146 HydrophobicContact CD1-CB 4.3Å; L70-L152 HydrophobicContact CD1-CD1 3.7Å; L70-L152 HydrophobicContact CD2-CD1 3.78Å; L70-L152 HydrophobicContact CG-CD1 4.01Å
71	T	89.4	Confident	94	Very high	71 Å²	71	30.6 Å²	30.6	44%	0.436	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	123.1	175.1	-62.7	0	0	0	0	110.6	S73 K126 F177	T71-S73 VanDerWaalsContact C-N 3.34Å; T71-K126 PolarHBondContact OG1-O 2.77Å; T71-F177 HydrophobicContact CG2-CE1 4.05Å; T71-F177 HydrophobicContact CG2-CZ 4.31Å
72	G	85.7	Confident	94	Very high	70 Å²	70	28.7 Å²	28.7	72%	0.722	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.4	3.7	-179.6	0	0	0	0	0	115.8	L70	L70-G72 PolarHBondContact O-N 2.76Å; L70-G72 VanDerWaalsContact O-N 3.17Å
73	S	88.8	Confident	94	Very high	29 Å²	29	28.5 Å²	28.5	20%	0.203	16%	0.164	C	C	.	.			trans	-85.8	149.2	170.8	-177.2	0	0	0	0	111.5	R69 L70 T71 K75	R69-S73 WeakPolarHBondContact CD-O 3.34Å; L70-S73 WeakPolarHBondContact O-CB 3.44Å; L70-S73 PolarHBondContact O-N 2.84Å; T71-S73 VanDerWaalsContact C-N 3.34Å; S73-K75 PolarHBondContact OG-N 2.92Å; S73-K75 VanDerWaalsContact OG-N 3.09Å; S73-K75 PolarHBondContact OG-O 2.82Å
74	N	89.7	Confident	94	Very high	127 Å²	127	27.9 Å²	27.9	68%	0.679	16%	0.163	S	C	*	.	S	Bend	trans	-94.2	-10.2	170	-68.1	-25.3	0	0	0	113.2
75	K	93.9	Very high	94	Very high	32 Å²	32	27.7 Å²	27.7	14%	0.139	16%	0.162	C	C	.	.			trans	-107.2	135.5	-175.3	-168.8	173.3	-171.7	176.6	0	111	F22 S73 E91 Y92	F22-K75 WeakPolarHBondContact O-CE 3.22Å; S73-K75 PolarHBondContact OG-N 2.92Å; S73-K75 VanDerWaalsContact OG-N 3.09Å; S73-K75 PolarHBondContact OG-O 2.82Å; K75-E91 HydrophobicContact CD-CG 4.3Å; K75-E91 WeakPolarHBondContact CE-OE1 3.26Å; K75-E91 VanDerWaalsContact NZ-CG 3.3Å; K75-E91 IonicContact NZ-OE1 3.67Å; K75-E91 PolarHBondContact NZ-OE1 2.86Å; K75-Y92 WeakPolarHBondContact CE-O 3.38Å; K75-Y92 PolarHBondContact NZ-O 2.81Å
76	D	95.5	Very high	94.1	Very high	10 Å²	10	30.1 Å²	30.1	5%	0.053	17%	0.171	C	C	.	.			trans	-92.3	135.1	172.3	-67.1	-33.3	0	0	0	110.5	G20 N21 F22 R69	G20-D76 WeakPolarHBondContact CA-OD2 3.36Å; N21-D76 PolarHBondContact N-OD2 3.23Å; N21-D76 PolarHBondContact O-N 2.74Å; F22-D76 HydrophobicContact CD1-CB 4.03Å; F22-D76 WeakPolarHBondContact CD1-O 3.29Å; F22-D76 HydrophobicContact CE1-CB 4.1Å; R69-D76 VanDerWaalsContact CB-OD1 3.23Å; R69-D76 WeakPolarHBondContact CB-OD1 3.48Å; R69-D76 WeakPolarHBondContact CG-OD1 3.28Å; R69-D76 IonicContact CZ-OD1 2.87Å; R69-D76 VanDerWaalsContact CZ-OD1 3.31Å; R69-D76 IonicContact CZ-OD2 3.67Å; R69-D76 IonicContact NE-OD1 3.82Å; R69-D76 PolarHBondContact NE-OD1 2.91Å; R69-D76 IonicContact NE-OD2 3.13Å; R69-D76 VanDerWaalsContact NH2-CG 3.29Å; R69-D76 IonicContact NH2-OD1 3.28Å; R69-D76 PolarHBondContact NH2-OD1 2.87Å; R69-D76 VanDerWaalsContact NH2-OD1 3.12Å; R69-D76 IonicContact NH2-OD2 2.8Å; R69-D76 PolarHBondContact NH2-OD2 2.75Å
77	Y	95.9	Very high	94.2	Very high	19 Å²	19	26.8 Å²	26.8	8%	0.075	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	161.6	170	-67.6	-85.5	0	0	0	109.4	P67 F68 L70 V89 E91 V102	P67-Y77 CarbonylContact C-O 3.59Å; P67-Y77 WeakPolarHBondContact CA-O 3.32Å; F68-Y77 HydrophobicContact CE1-CD2 4.26Å; F68-Y77 AromaticContact CE1-CG 3.86Å; F68-Y77 HydrophobicContact CE1-CG 3.86Å; F68-Y77 AromaticContact CE2-CD2 3.97Å; F68-Y77 HydrophobicContact CE2-CD2 3.97Å; F68-Y77 HydrophobicContact CE2-CG 4.37Å; F68-Y77 VanDerWaalsContact CZ-CB 3.42Å; F68-Y77 AromaticContact CZ-CD2 3.72Å; F68-Y77 HydrophobicContact CZ-CD2 3.72Å; F68-Y77 AromaticContact CZ-CG 3.68Å; F68-Y77 HydrophobicContact CZ-CG 3.68Å; F68-Y77 PolarHBondContact N-O 2.83Å; F68-Y77 PolarHBondContact O-N 3.01Å; L70-Y77 HydrophobicContact CD1-CE2 4.21Å; Y77-V89 HydrophobicContact CD1-CG1 4.21Å; Y77-V89 HydrophobicContact CG-CG1 4.41Å; Y77-E91 HydrophobicContact CD1-CB 3.86Å; Y77-E91 HydrophobicContact CD1-CG 4.19Å; Y77-E91 HydrophobicContact CE1-CB 3.84Å; Y77-E91 HydrophobicContact CE1-CG 3.87Å; Y77-E91 WeakPolarHBondContact CE1-OE2 3.45Å; Y77-V102 HydrophobicContact CD1-CG2 4.49Å; Y77-V102 HydrophobicContact CE1-CG2 4.27Å
78	L	96.3	Very high	94.2	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.3	-177.8	176.1	66.9	0	0	0	110.3	V18 F22 A31 I38 F65 V80 V89 L90 F99	V18-L78 HydrophobicContact CG2-CD1 4.04Å; F22-L78 HydrophobicContact CE1-CB 4.2Å; A31-L78 HydrophobicContact CB-CD2 4.37Å; I38-L78 HydrophobicContact CG2-CD2 4.39Å; F65-L78 HydrophobicContact CD1-CD1 3.86Å; F65-L78 HydrophobicContact CD2-CD1 3.99Å; F65-L78 HydrophobicContact CD2-CD2 4.48Å; F65-L78 HydrophobicContact CD2-CG 4.42Å; F65-L78 HydrophobicContact CE1-CD1 3.52Å; F65-L78 HydrophobicContact CE1-CD2 4.13Å; F65-L78 HydrophobicContact CE1-CG 4.39Å; F65-L78 HydrophobicContact CE2-CD1 3.68Å; F65-L78 HydrophobicContact CE2-CD2 3.45Å; F65-L78 VanDerWaalsContact CE2-CD2 3.45Å; F65-L78 HydrophobicContact CE2-CG 3.82Å; F65-L78 HydrophobicContact CG-CD1 4.09Å; F65-L78 HydrophobicContact CZ-CD1 3.44Å; F65-L78 VanDerWaalsContact CZ-CD1 3.44Å; F65-L78 HydrophobicContact CZ-CD2 3.23Å; F65-L78 HydrophobicContact CZ-CG 3.81Å; L78-V80 HydrophobicContact CD2-CG2 4.29Å; L78-V80 HydrophobicContact CG-CG2 4.04Å; L78-V89 WeakPolarHBondContact O-CA 3.49Å; L78-L90 HydrophobicContact CB-CB 4.26Å; L78-L90 HydrophobicContact CD2-CD1 4.17Å; L78-L90 PolarHBondContact N-O 2.84Å; L78-L90 PolarHBondContact O-N 2.83Å; L78-F99 HydrophobicContact CD2-CE1 4.37Å
79	I	96.9	Very high	94.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.4	174.2	-60.3	154.9	0	0	0	108.7	M66 F68 V87 V88 V89 L121 V123 F130	M66-I79 PolarHBondContact N-O 3.06Å; M66-I79 VanDerWaalsContact N-O 3.1Å; M66-I79 PolarHBondContact O-N 2.86Å; F68-I79 HydrophobicContact CB-CD1 3.99Å; F68-I79 HydrophobicContact CD1-CD1 3.33Å; F68-I79 HydrophobicContact CD1-CG1 3.41Å; F68-I79 VanDerWaalsContact CD1-CG1 3.41Å; F68-I79 HydrophobicContact CE1-CD1 3.88Å; F68-I79 HydrophobicContact CE1-CG1 3.63Å; F68-I79 HydrophobicContact CG-CD1 3.81Å; F68-I79 HydrophobicContact CG-CG1 4.37Å; I79-V87 HydrophobicContact CG2-CG2 3.59Å; I79-V88 WeakPolarHBondContact CA-O 3.1Å; I79-V89 HydrophobicContact CG1-CG2 4.14Å; I79-L121 HydrophobicContact CB-CD2 3.89Å; I79-L121 HydrophobicContact CG2-CD1 3.88Å; I79-L121 HydrophobicContact CG2-CD2 3.59Å; I79-L121 HydrophobicContact CG2-CG 4.33Å; I79-V123 HydrophobicContact CD1-CG2 3.89Å; I79-F130 HydrophobicContact CD1-CB 4.12Å; I79-F130 HydrophobicContact CD1-CD1 3.81Å; I79-F130 HydrophobicContact CD1-CE1 4.38Å; I79-F130 HydrophobicContact CD1-CG 3.96Å; I79-F130 HydrophobicContact CG2-CE2 4.45Å
80	V	97.2	Very high	94.6	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	118.5	-177.7	-170.7	0	0	0	0	110.2	I38 V62 F65 L78 V88 L90 V1165	I38-V80 HydrophobicContact CD1-CG1 4.44Å; I38-V80 HydrophobicContact CD1-CG2 4.31Å; V62-V80 HydrophobicContact CG1-CG1 3.92Å; V62-V80 HydrophobicContact CG2-CG1 4.09Å; F65-V80 HydrophobicContact CD2-CG1 4.3Å; F65-V80 HydrophobicContact CD2-CG2 3.94Å; F65-V80 HydrophobicContact CE2-CG2 3.85Å; L78-V80 HydrophobicContact CD2-CG2 4.29Å; L78-V80 HydrophobicContact CG-CG2 4.04Å; V80-V88 PolarHBondContact N-O 3.24Å; V80-V88 PolarHBondContact O-N 2.9Å; V80-L90 HydrophobicContact CG2-CD1 3.8Å; V80-L90 HydrophobicContact CG2-CG 4.28Å; V80-V1165 HydrophobicContact CG1-CG1 3.71Å
81	G	96.8	Very high	94.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.6	165.3	0	0	0	0	0	110.1	R63 S64	R63-G81 PolarHBondContact N-O 2.88Å; S64-G81 PolarHBondContact N-O 2.93Å; S64-G81 VanDerWaalsContact N-O 3.09Å; S64-G81 PolarHBondContact O-N 3.15Å; S64-G81 WeakPolarHBondContact OG-CA 3.46Å
82	S	97	Very high	95	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	-176.5	-174.4	74.3	0	0	0	0	112.8	I61 S84	I61-S82 CarbonylContact O-C 3.55Å; I61-S82 WeakPolarHBondContact O-CA 3.33Å; I61-S82 VanDerWaalsContact O-CB 3.32Å; I61-S82 WeakPolarHBondContact O-CB 3.44Å; S82-S84 PolarHBondContact O-N 3.36Å; S82-S84 WeakPolarHBondContact OG-CB 3.04Å; S82-S84 PolarHBondContact OG-N 2.87Å; S82-S84 VanDerWaalsContact OG-N 3.14Å; S82-S84 PolarHBondContact OG-OG 2.79Å
83	D	96.8	Very high	95.4	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	6.4	170.6	82.5	-47.2	0	0	0	113.9	G60 I61 G85 S110 G111 R1167	G60-D83 WeakPolarHBondContact CA-OD1 3.34Å; I61-D83 HydrophobicContact CB-CB 4.21Å; I61-D83 PolarHBondContact N-OD1 3.38Å; I61-D83 PolarHBondContact O-N 2.78Å; D83-G85 VanDerWaalsContact C-N 3.33Å; D83-G85 PolarHBondContact O-N 2.99Å; D83-S110 CarbonylContact O-C 3.45Å; D83-S110 VanDerWaalsContact O-CA 3.24Å; D83-S110 WeakPolarHBondContact O-CA 3.49Å; D83-S110 WeakPolarHBondContact O-CB 3.39Å; D83-G111 PolarHBondContact O-N 3.21Å; D83-R1167 VanDerWaalsContact CG-NE 3.34Å; D83-R1167 IonicContact OD1-NE 3.29Å; D83-R1167 PolarHBondContact OD1-NE 2.95Å; D83-R1167 IonicContact OD2-CZ 2.66Å; D83-R1167 VanDerWaalsContact OD2-CZ 3.25Å; D83-R1167 IonicContact OD2-NE 2.97Å; D83-R1167 PolarHBondContact OD2-NE 3.32Å; D83-R1167 IonicContact OD2-NH2 2.98Å; D83-R1167 PolarHBondContact OD2-NH2 3.3Å
84	S	96.4	Very high	95.5	Very high	7 Å²	7	17.9 Å²	17.9	5%	0.049	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-17.2	-179.7	69.4	0	0	0	0	114.6	S82 R86 S110 V1165	S82-S84 PolarHBondContact O-N 3.36Å; S82-S84 WeakPolarHBondContact OG-CB 3.04Å; S82-S84 PolarHBondContact OG-N 2.87Å; S82-S84 VanDerWaalsContact OG-N 3.14Å; S82-S84 PolarHBondContact OG-OG 2.79Å; S84-R86 WeakPolarHBondContact OG-CB 3.22Å; S84-R86 PolarHBondContact OG-N 3.26Å; S84-R86 PolarHBondContact OG-O 2.93Å; S84-S110 WeakPolarHBondContact O-CB 3.49Å; S84-V1165 VanDerWaalsContact CB-O 3.24Å; S84-V1165 WeakPolarHBondContact CB-O 3.18Å; S84-V1165 PolarHBondContact OG-O 2.6Å
85	G	95.4	Very high	95.4	Very high	2 Å²	2	17 Å²	17	2%	0.021	9%	0.094	C	C	.	.	S	Bend	trans	72.7	18.9	-168.1	0	0	0	0	0	112.9	D83 F107 G108	D83-G85 VanDerWaalsContact C-N 3.33Å; D83-G85 PolarHBondContact O-N 2.99Å; G85-F107 PolarHBondContact O-N 3.05Å; G85-F107 VanDerWaalsContact O-N 3.11Å; G85-G108 PolarHBondContact O-N 3.5Å; G85-G108 VanDerWaalsContact O-N 3.09Å
86	R	96.4	Very high	95	Very high	56 Å²	56	20.7 Å²	20.7	21%	0.211	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.3	177.4	-49.3	-176	173.3	157.9	5.3	109.7	S84 Q104 E105 T106 G1166	S84-R86 WeakPolarHBondContact OG-CB 3.22Å; S84-R86 PolarHBondContact OG-N 3.26Å; S84-R86 PolarHBondContact OG-O 2.93Å; R86-Q104 HydrophobicContact CB-CG 4.41Å; R86-E105 CarbonylContact C-O 3.54Å; R86-E105 WeakPolarHBondContact CA-O 3.49Å; R86-E105 WeakPolarHBondContact CB-O 3.18Å; R86-T106 WeakPolarHBondContact CD-OG1 3.44Å; R86-T106 HydrophobicContact CG-CG2 4.14Å; R86-T106 WeakPolarHBondContact CG-OG1 3.47Å; R86-T106 PolarHBondContact NE-OG1 2.9Å; R86-T106 VanDerWaalsContact NE-OG1 3.14Å; R86-G1166 PolarHBondContact NH1-O 3.49Å
87	V	96.2	Very high	94.7	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.1	167	59.4	0	0	0	0	108.1	I79 Q104 E105 F107 F130 I132 Y142	I79-V87 HydrophobicContact CG2-CG2 3.59Å; V87-Q104 WeakPolarHBondContact O-CA 3.46Å; V87-E105 HydrophobicContact CG1-CB 3.86Å; V87-E105 PolarHBondContact N-O 3.16Å; V87-E105 PolarHBondContact O-N 2.8Å; V87-F107 HydrophobicContact CB-CE1 3.98Å; V87-F107 HydrophobicContact CG1-CD1 4.38Å; V87-F107 HydrophobicContact CG1-CE1 4.28Å; V87-F107 VanDerWaalsContact N-CE1 3.35Å; V87-F130 HydrophobicContact CG1-CE2 4.38Å; V87-F130 HydrophobicContact CG1-CZ 4.09Å; V87-F130 HydrophobicContact CG2-CE2 3.81Å; V87-F130 HydrophobicContact CG2-CZ 3.83Å; V87-I132 HydrophobicContact CB-CD1 4.01Å; V87-I132 HydrophobicContact CG2-CD1 4.23Å; V87-Y142 HydrophobicContact CG1-CD2 4.5Å; V87-Y142 HydrophobicContact CG1-CE2 3.96Å
88	V	96.9	Very high	94.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.2	179.4	-173.5	0	0	0	0	110.2	I79 V80 L90 K101 Q103 Q104 L1164	I79-V88 WeakPolarHBondContact CA-O 3.1Å; V80-V88 PolarHBondContact N-O 3.24Å; V80-V88 PolarHBondContact O-N 2.9Å; V88-L90 HydrophobicContact CG1-CD2 3.65Å; V88-L90 HydrophobicContact CG1-CG 4.21Å; V88-K101 HydrophobicContact CG1-CB 4.46Å; V88-K101 HydrophobicContact CG1-CD 4.32Å; V88-K101 HydrophobicContact CG1-CG 4.08Å; V88-Q103 WeakPolarHBondContact CA-O 2.88Å; V88-Q103 WeakPolarHBondContact CG1-O 3.39Å; V88-Q104 HydrophobicContact CG2-CB 4.47Å; V88-Q104 HydrophobicContact CG2-CG 4.06Å; V88-L1164 WeakPolarHBondContact CG1-O 2.98Å
89	V	96.6	Very high	94.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.1	168.7	-179.3	0	0	0	0	109.2	F68 Y77 L78 I79 V102 Q103 M144 L152	F68-V89 HydrophobicContact CE1-CG1 3.56Å; F68-V89 HydrophobicContact CE1-CG2 4.4Å; F68-V89 HydrophobicContact CZ-CG1 3.94Å; Y77-V89 HydrophobicContact CD1-CG1 4.21Å; Y77-V89 HydrophobicContact CG-CG1 4.41Å; L78-V89 WeakPolarHBondContact O-CA 3.49Å; I79-V89 HydrophobicContact CG1-CG2 4.14Å; V89-V102 PolarHBondContact O-N 3.1Å; V89-Q103 HydrophobicContact CB-CB 4.08Å; V89-Q103 HydrophobicContact CG2-CB 4.11Å; V89-Q103 PolarHBondContact N-O 2.88Å; V89-Q103 PolarHBondContact O-N 2.6Å; V89-M144 HydrophobicContact CG2-CE 3.85Å; V89-L152 HydrophobicContact CB-CD2 4.21Å; V89-L152 HydrophobicContact CG1-CD2 3.55Å; V89-L152 HydrophobicContact CG2-CD2 4.42Å
90	L	96.3	Very high	94.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	141.8	179.2	-57.1	178.3	0	0	0	110.9	I38 L78 V80 V88 F99 E100 K101 L1164	I38-L90 HydrophobicContact CD1-CD1 4.06Å; L78-L90 HydrophobicContact CB-CB 4.26Å; L78-L90 HydrophobicContact CD2-CD1 4.17Å; L78-L90 PolarHBondContact N-O 2.84Å; L78-L90 PolarHBondContact O-N 2.83Å; V80-L90 HydrophobicContact CG2-CD1 3.8Å; V80-L90 HydrophobicContact CG2-CG 4.28Å; V88-L90 HydrophobicContact CG1-CD2 3.65Å; V88-L90 HydrophobicContact CG1-CG 4.21Å; L90-F99 HydrophobicContact CB-CD1 4.19Å; L90-E100 WeakPolarHBondContact CA-O 3.44Å; L90-K101 HydrophobicContact CD2-CB 4.43Å; L90-K101 HydrophobicContact CD2-CG 3.68Å; L90-L1164 HydrophobicContact CD2-CD2 4.48Å
91	E	95.7	Very high	94	Very high	38 Å²	38	32.9 Å²	32.9	18%	0.178	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.4	169.7	-177.7	175.9	175.3	0	0	109.1	K75 Y77 I93 F99 E100 V102	K75-E91 HydrophobicContact CD-CG 4.3Å; K75-E91 WeakPolarHBondContact CE-OE1 3.26Å; K75-E91 VanDerWaalsContact NZ-CG 3.3Å; K75-E91 IonicContact NZ-OE1 3.67Å; K75-E91 PolarHBondContact NZ-OE1 2.86Å; Y77-E91 HydrophobicContact CD1-CB 3.86Å; Y77-E91 HydrophobicContact CD1-CG 4.19Å; Y77-E91 HydrophobicContact CE1-CB 3.84Å; Y77-E91 HydrophobicContact CE1-CG 3.87Å; Y77-E91 WeakPolarHBondContact CE1-OE2 3.45Å; E91-I93 HydrophobicContact CG-CD1 3.87Å; E91-F99 CarbonylContact O-C 3.56Å; E91-F99 WeakPolarHBondContact O-CA 3.14Å; E91-E100 PolarHBondContact N-O 2.8Å; E91-E100 PolarHBondContact O-N 3.17Å; E91-V102 HydrophobicContact CB-CG2 3.46Å; E91-V102 VanDerWaalsContact CB-CG2 3.46Å
92	Y	95.8	Very high	93.8	Very high	9 Å²	9	34.8 Å²	34.8	4%	0.035	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127.8	173.2	177.3	-121	0	0	0	110.2	S23 L40 L54 K75 P94 N97 F99	S23-Y92 WeakPolarHBondContact OG-CE1 3.47Å; L40-Y92 HydrophobicContact CD2-CD1 3.43Å; L40-Y92 VanDerWaalsContact CD2-CD1 3.43Å; L40-Y92 HydrophobicContact CD2-CD2 3.74Å; L40-Y92 HydrophobicContact CD2-CE1 3.45Å; L40-Y92 VanDerWaalsContact CD2-CE1 3.45Å; L40-Y92 HydrophobicContact CD2-CE2 3.76Å; L40-Y92 HydrophobicContact CD2-CG 3.58Å; L54-Y92 HydrophobicContact CB-CE2 4.47Å; L54-Y92 HydrophobicContact CD2-CD2 4.12Å; L54-Y92 HydrophobicContact CD2-CE2 3.96Å; K75-Y92 WeakPolarHBondContact CE-O 3.38Å; K75-Y92 PolarHBondContact NZ-O 2.81Å; Y92-P94 HydrophobicContact CD1-CG 4.03Å; Y92-P94 HydrophobicContact CE1-CB 4.17Å; Y92-P94 HydrophobicContact CE1-CG 3.83Å; Y92-P94 WeakPolarHBondContact O-CD 3.05Å; Y92-N97 WeakPolarHBondContact CE2-OD1 3.35Å; Y92-N97 PolarHBondContact OH-OD1 2.95Å; Y92-F99 HydrophobicContact CD2-CD1 4.45Å; Y92-F99 HydrophobicContact CD2-CE1 4.34Å; Y92-F99 HydrophobicContact CG-CE1 4.42Å
93	I	93.8	Very high	93.7	Very high	26 Å²	26	37 Å²	37	13%	0.133	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	101.1	178.1	-53.8	-60.9	0	0	0	108.7	E91 S95 K96 N97 V98 E100	E91-I93 HydrophobicContact CG-CD1 3.87Å; I93-S95 PolarHBondContact O-N 3.31Å; I93-K96 HydrophobicContact CG2-CB 4.26Å; I93-K96 HydrophobicContact CG2-CG 4.33Å; I93-K96 PolarHBondContact O-N 3.2Å; I93-N97 WeakPolarHBondContact O-CA 3.28Å; I93-N97 PolarHBondContact O-N 3.09Å; I93-V98 PolarHBondContact N-O 2.64Å; I93-V98 PolarHBondContact O-N 3.43Å; I93-E100 HydrophobicContact CG1-CB 4.1Å
94	P	90.7	Very high	93.6	Very high	43 Å²	43	40.1 Å²	40.1	28%	0.279	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-58.6	-42	-174.6	-26.9	35	0	0	0	113.9	Y92 K96 N97	Y92-P94 HydrophobicContact CD1-CG 4.03Å; Y92-P94 HydrophobicContact CE1-CB 4.17Å; Y92-P94 HydrophobicContact CE1-CG 3.83Å; Y92-P94 WeakPolarHBondContact O-CD 3.05Å; P94-K96 VanDerWaalsContact C-N 3.25Å; P94-K96 PolarHBondContact O-N 3.05Å; P94-N97 PolarHBondContact O-N 2.82Å
95	S	88	Confident	93.5	Very high	108 Å²	108	42.8 Å²	42.8	76%	0.755	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-62.2	-29.2	-177	55.6	0	0	0	0	114.3	I93	I93-S95 PolarHBondContact O-N 3.31Å
96	K	85	Confident	93.6	Very high	110 Å²	110	46.5 Å²	46.5	48%	0.478	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-99.9	-11.6	175.2	-67.9	-173.5	179.3	-167.6	0	112.5	I93 P94 V98 E1195	I93-K96 HydrophobicContact CG2-CB 4.26Å; I93-K96 HydrophobicContact CG2-CG 4.33Å; I93-K96 PolarHBondContact O-N 3.2Å; P94-K96 VanDerWaalsContact C-N 3.25Å; P94-K96 PolarHBondContact O-N 3.05Å; K96-V98 HydrophobicContact CB-CG2 3.75Å; K96-V98 HydrophobicContact CD-CG2 4.38Å; K96-V98 PolarHBondContact O-N 3.24Å; K96-E1195 IonicContact NZ-OE1 2.71Å; K96-E1195 PolarHBondContact NZ-OE1 2.94Å
97	N	88.4	Confident	93.5	Very high	39 Å²	39	45.8 Å²	45.8	21%	0.209	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	50.9	-168.4	-164.4	28.5	0	0	0	113.4	L53 L54 Y92 I93 P94	L53-N97 PolarHBondContact O-ND2 3.11Å; L54-N97 VanDerWaalsContact CD1-O 3.31Å; L54-N97 WeakPolarHBondContact CD1-O 3.47Å; Y92-N97 WeakPolarHBondContact CE2-OD1 3.35Å; Y92-N97 PolarHBondContact OH-OD1 2.95Å; I93-N97 WeakPolarHBondContact O-CA 3.28Å; I93-N97 PolarHBondContact O-N 3.09Å; P94-N97 PolarHBondContact O-N 2.82Å
98	V	90.6	Very high	93.4	Very high	58 Å²	58	47.1 Å²	47.1	35%	0.352	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	156.5	178.7	-62.6	0	0	0	0	112.1	I93 K96	I93-V98 PolarHBondContact N-O 2.64Å; I93-V98 PolarHBondContact O-N 3.43Å; K96-V98 HydrophobicContact CB-CG2 3.75Å; K96-V98 HydrophobicContact CD-CG2 4.38Å; K96-V98 PolarHBondContact O-N 3.24Å
99	F	93.3	Very high	93.4	Very high	13 Å²	13	54.4 Å²	54.4	6%	0.057	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.1	162.9	-75.8	-66.7	0	0	0	110.2	I38 L40 L54 L78 L90 E91 Y92 L1164	I38-F99 HydrophobicContact CG2-CE2 3.96Å; I38-F99 HydrophobicContact CG2-CZ 4.39Å; L40-F99 HydrophobicContact CB-CE2 4.36Å; L40-F99 HydrophobicContact CB-CZ 4.02Å; L40-F99 HydrophobicContact CD1-CZ 4.38Å; L54-F99 HydrophobicContact CD2-CD2 3.43Å; L54-F99 VanDerWaalsContact CD2-CD2 3.43Å; L54-F99 HydrophobicContact CD2-CE2 3.7Å; L54-F99 HydrophobicContact CD2-CG 4.11Å; L54-F99 HydrophobicContact CG-CD2 4.33Å; L54-F99 HydrophobicContact CG-CE2 4.35Å; L78-F99 HydrophobicContact CD2-CE1 4.37Å; L90-F99 HydrophobicContact CB-CD1 4.19Å; E91-F99 CarbonylContact O-C 3.56Å; E91-F99 WeakPolarHBondContact O-CA 3.14Å; Y92-F99 HydrophobicContact CD2-CD1 4.45Å; Y92-F99 HydrophobicContact CD2-CE1 4.34Å; Y92-F99 HydrophobicContact CG-CE1 4.42Å; F99-L1164 HydrophobicContact CB-CD1 4.36Å; F99-L1164 HydrophobicContact CB-CD2 4.26Å; F99-L1164 HydrophobicContact CD2-CD1 4.49Å
100	E	93	Very high	93.4	Very high	101 Å²	101	56.2 Å²	56.2	47%	0.472	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.2	172.8	-172.4	169.3	174.1	0	0	110.3	L90 E91 I93 V102	L90-E100 WeakPolarHBondContact CA-O 3.44Å; E91-E100 PolarHBondContact N-O 2.8Å; E91-E100 PolarHBondContact O-N 3.17Å; I93-E100 HydrophobicContact CG1-CB 4.1Å; E100-V102 PolarHBondContact O-N 3.28Å
101	K	94.1	Very high	93.3	Very high	76 Å²	76	56.6 Å²	56.6	33%	0.33	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	100.9	174.3	-70.3	-172.4	-71	-172.8	0	109.4	V88 L90 G1161 S1163 L1164	V88-K101 HydrophobicContact CG1-CB 4.46Å; V88-K101 HydrophobicContact CG1-CD 4.32Å; V88-K101 HydrophobicContact CG1-CG 4.08Å; L90-K101 HydrophobicContact CD2-CB 4.43Å; L90-K101 HydrophobicContact CD2-CG 3.68Å; K101-G1161 PolarHBondContact NZ-O 2.75Å; K101-S1163 PolarHBondContact NZ-O 2.94Å; K101-L1164 WeakPolarHBondContact CD-O 3.27Å; K101-L1164 HydrophobicContact CG-CD2 4.45Å
102	V	93.3	Very high	93.3	Very high	39 Å²	39	58 Å²	58	24%	0.236	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-43.7	-178.1	-173.4	0	0	0	0	111.5	Y77 V89 E91 E100 L152	Y77-V102 HydrophobicContact CD1-CG2 4.49Å; Y77-V102 HydrophobicContact CE1-CG2 4.27Å; V89-V102 PolarHBondContact O-N 3.1Å; E91-V102 HydrophobicContact CB-CG2 3.46Å; E91-V102 VanDerWaalsContact CB-CG2 3.46Å; E100-V102 PolarHBondContact O-N 3.28Å; V102-L152 HydrophobicContact CG1-CB 4.03Å; V102-L152 HydrophobicContact CG1-CD2 4.04Å
103	Q	94.3	Very high	93.4	Very high	48 Å²	48	63.2 Å²	63.2	22%	0.224	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	145	179.1	-63	-63.3	-12.4	0	0	110.4	V88 V89 L152 I154	V88-Q103 WeakPolarHBondContact CA-O 2.88Å; V88-Q103 WeakPolarHBondContact CG1-O 3.39Å; V89-Q103 HydrophobicContact CB-CB 4.08Å; V89-Q103 HydrophobicContact CG2-CB 4.11Å; V89-Q103 PolarHBondContact N-O 2.88Å; V89-Q103 PolarHBondContact O-N 2.6Å; Q103-L152 HydrophobicContact CG-CD2 4.2Å; Q103-L152 PolarHBondContact NE2-O 2.95Å; Q103-I154 HydrophobicContact CB-CG2 4.18Å; Q103-I154 HydrophobicContact CG-CB 4.26Å; Q103-I154 HydrophobicContact CG-CG2 3.89Å
104	Q	95.1	Very high	93.5	Very high	67 Å²	67	69.4 Å²	69.4	31%	0.313	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	97.9	175.8	-179.1	-173.3	-78.7	0	0	109.8	R86 V87 V88	R86-Q104 HydrophobicContact CB-CG 4.41Å; V87-Q104 WeakPolarHBondContact O-CA 3.46Å; V88-Q104 HydrophobicContact CG2-CB 4.47Å; V88-Q104 HydrophobicContact CG2-CG 4.06Å
105	E	95.8	Very high	93.8	Very high	62 Å²	62	70.7 Å²	70.7	29%	0.29	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.8	-178.6	-68.1	-57.2	138.9	0	0	111.1	R86 V87 Y142 I154	R86-E105 CarbonylContact C-O 3.54Å; R86-E105 WeakPolarHBondContact CA-O 3.49Å; R86-E105 WeakPolarHBondContact CB-O 3.18Å; V87-E105 HydrophobicContact CG1-CB 3.86Å; V87-E105 PolarHBondContact N-O 3.16Å; V87-E105 PolarHBondContact O-N 2.8Å; E105-Y142 HydrophobicContact CB-CE1 3.8Å; E105-Y142 HydrophobicContact CG-CE1 3.95Å; E105-I154 HydrophobicContact CG-CD1 3.78Å; E105-I154 HydrophobicContact CG-CG1 4.24Å; E105-I154 HydrophobicContact CG-CG2 3.84Å
106	T	96.4	Very high	94.3	Very high	81 Å²	81	66.1 Å²	66.1	50%	0.497	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.9	-179.8	-57.8	0	0	0	0	110.1	R86	R86-T106 WeakPolarHBondContact CD-OG1 3.44Å; R86-T106 HydrophobicContact CG-CG2 4.14Å; R86-T106 WeakPolarHBondContact CG-OG1 3.47Å; R86-T106 PolarHBondContact NE-OG1 2.9Å; R86-T106 VanDerWaalsContact NE-OG1 3.14Å
107	F	94.6	Very high	94.9	Very high	40 Å²	40	61 Å²	61	18%	0.175	31%	0.306	C	S	.	.			trans	-126.6	-14.3	-179.2	55.1	-105.3	0	0	0	113.9	G85 V87 V116 P117 I132 L140	G85-F107 PolarHBondContact O-N 3.05Å; G85-F107 VanDerWaalsContact O-N 3.11Å; V87-F107 HydrophobicContact CB-CE1 3.98Å; V87-F107 HydrophobicContact CG1-CD1 4.38Å; V87-F107 HydrophobicContact CG1-CE1 4.28Å; V87-F107 VanDerWaalsContact N-CE1 3.35Å; F107-V116 HydrophobicContact CD2-CG1 4.13Å; F107-V116 HydrophobicContact CE2-CG1 3.68Å; F107-P117 HydrophobicContact CD2-CB 4.29Å; F107-P117 HydrophobicContact CD2-CG 4.28Å; F107-P117 HydrophobicContact CE2-CB 3.79Å; F107-P117 HydrophobicContact CE2-CG 4.21Å; F107-P117 WeakPolarHBondContact CE2-O 3.48Å; F107-P117 HydrophobicContact CZ-CB 4.15Å; F107-P117 VanDerWaalsContact CZ-O 3.28Å; F107-P117 WeakPolarHBondContact CZ-O 3.32Å; F107-I132 HydrophobicContact CE1-CD1 3.84Å; F107-I132 HydrophobicContact CZ-CD1 3.9Å; F107-L140 HydrophobicContact CB-CD1 3.38Å; F107-L140 HydrophobicContact CD1-CD1 4.3Å; F107-L140 HydrophobicContact CD2-CD1 4.08Å; F107-L140 HydrophobicContact CG-CD1 3.67Å
108	G	94.9	Very high	95.2	Very high	29 Å²	29	59.1 Å²	59.1	30%	0.299	30%	0.296	S	S	.	.	S	Bend	trans	-162	-177.1	-174.4	0	0	0	0	0	115.2	G85	G85-G108 PolarHBondContact O-N 3.5Å; G85-G108 VanDerWaalsContact O-N 3.09Å
109	K	96.4	Very high	95.5	Very high	154 Å²	154	59.4 Å²	59.4	67%	0.67	29%	0.294	S	S	*	.			trans	-77.8	149.7	174.3	-67	-176.4	-179.6	179.5	0	110.5
110	S	95.9	Very high	95.7	Very high	39 Å²	39	60.9 Å²	60.9	27%	0.273	30%	0.299	S	S	.	.	S	Bend	trans	-75.9	164.6	177.8	62.9	0	0	0	0	114.2	D83 S84 R113 R1167	D83-S110 CarbonylContact O-C 3.45Å; D83-S110 VanDerWaalsContact O-CA 3.24Å; D83-S110 WeakPolarHBondContact O-CA 3.49Å; D83-S110 WeakPolarHBondContact O-CB 3.39Å; S84-S110 WeakPolarHBondContact O-CB 3.49Å; S110-R113 PolarHBondContact O-NE 2.94Å; S110-R113 PolarHBondContact O-NH2 2.9Å; S110-R1167 VanDerWaalsContact CB-CZ 3.48Å; S110-R1167 PolarHBondContact OG-NH1 2.97Å
111	G	94.4	Very high	95.9	Very high	9 Å²	9	56.8 Å²	56.8	9%	0.093	28%	0.28	C	S	.	.	S	Bend	trans	102.6	159.4	-170.6	0	0	0	0	0	112.8	D83 R113	D83-G111 PolarHBondContact O-N 3.21Å; G111-R113 PolarHBondContact O-N 2.79Å
112	C	95.9	Very high	96.1	Very high	68 Å²	68	53.2 Å²	53.2	46%	0.459	27%	0.265	S	S	.	.	S	Bend	trans	-73.7	73.4	172.7	-65.7	0	0	0	0	110.4
113	R	97.1	Very high	96.2	Very high	117 Å²	117	52.2 Å²	52.2	44%	0.442	26%	0.259	S	S	.	.			trans	-87.2	152	-176.1	-62.6	176.8	-178.6	-85.5	-8.3	111.3	S110 G111 V116	S110-R113 PolarHBondContact O-NE 2.94Å; S110-R113 PolarHBondContact O-NH2 2.9Å; G111-R113 PolarHBondContact O-N 2.79Å; R113-V116 HydrophobicContact CB-CB 3.99Å; R113-V116 HydrophobicContact CB-CG2 3.95Å; R113-V116 HydrophobicContact CG-CG2 4.39Å
114	R	97.1	Very high	96.2	Very high	157 Å²	157	49.9 Å²	49.9	59%	0.592	25%	0.248	S	C	*	.	S	Bend	trans	-60.9	-48.4	177.5	-168.8	177.7	76	173.4	17.7	112.9	V135 E136	R114-V135 PolarHBondContact O-N 3.43Å; R114-E136 WeakPolarHBondContact CD-OE2 3.45Å; R114-E136 HydrophobicContact CG-CB 4Å; R114-E136 WeakPolarHBondContact CG-OE2 3.2Å; R114-E136 IonicContact CZ-OE1 3.98Å; R114-E136 IonicContact CZ-OE2 3.35Å; R114-E136 IonicContact NE-OE1 3.09Å; R114-E136 PolarHBondContact NE-OE1 2.87Å; R114-E136 IonicContact NE-OE2 2.63Å; R114-E136 PolarHBondContact NE-OE2 2.94Å; R114-E136 IonicContact NH1-OE2 3.97Å; R114-E136 IonicContact NH2-OE1 3Å; R114-E136 PolarHBondContact NH2-OE1 2.74Å; R114-E136 IonicContact NH2-OE2 2.77Å; R114-E136 PolarHBondContact NH2-OE2 3.47Å; R114-E136 PolarHBondContact O-N 2.9Å
115	I	97.4	Very high	96.1	Very high	70 Å²	70	49.6 Å²	49.6	36%	0.359	25%	0.252	S	S	.	.	S	Bend	trans	-97.6	-11.9	-172.2	64.1	170	0	0	0	114.6	A134 E136 Q138	I115-A134 VanDerWaalsContact C-CB 3.42Å; I115-A134 VanDerWaalsContact O-CB 3.31Å; I115-A134 WeakPolarHBondContact O-CB 3.25Å; I115-E136 HydrophobicContact CG2-CB 4.38Å; I115-Q138 VanDerWaalsContact O-CB 3.26Å; I115-Q138 WeakPolarHBondContact O-CB 3.33Å; I115-Q138 VanDerWaalsContact O-CD 3.24Å; I115-Q138 VanDerWaalsContact O-CG 3.29Å; I115-Q138 WeakPolarHBondContact O-CG 3.25Å; I115-Q138 PolarHBondContact O-OE1 3.09Å
116	V	97.4	Very high	95.9	Very high	12 Å²	12	48.3 Å²	48.3	7%	0.073	25%	0.245	C	C	.	.	S	Bend	trans	-90.8	128.3	-177.7	177.9	0	0	0	0	109.3	F107 R113	F107-V116 HydrophobicContact CD2-CG1 4.13Å; F107-V116 HydrophobicContact CE2-CG1 3.68Å; R113-V116 HydrophobicContact CB-CB 3.99Å; R113-V116 HydrophobicContact CB-CG2 3.95Å; R113-V116 HydrophobicContact CG-CG2 4.39Å
117	P	97.3	Very high	95.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.223	C	C	.	.	S	Bend	trans	-57.4	155.9	-179.1	-27.1	35	0	0	0	114.4	F107 I132 A134 Q138 L140	F107-P117 HydrophobicContact CD2-CB 4.29Å; F107-P117 HydrophobicContact CD2-CG 4.28Å; F107-P117 HydrophobicContact CE2-CB 3.79Å; F107-P117 HydrophobicContact CE2-CG 4.21Å; F107-P117 WeakPolarHBondContact CE2-O 3.48Å; F107-P117 HydrophobicContact CZ-CB 4.15Å; F107-P117 VanDerWaalsContact CZ-O 3.28Å; F107-P117 WeakPolarHBondContact CZ-O 3.32Å; P117-I132 HydrophobicContact CB-CG1 4.02Å; P117-I132 HydrophobicContact CB-CG2 4.12Å; P117-A134 HydrophobicContact CG-CB 4.38Å; P117-Q138 HydrophobicContact CG-CB 4Å; P117-L140 HydrophobicContact CG-CD1 4.09Å; P117-L140 HydrophobicContact CG-CG 4.25Å
118	G	94.8	Very high	95.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.			trans	140	-14.4	177	0	0	0	0	0	114.1	R63 S64 G133	R63-G118 VanDerWaalsContact CB-O 3.24Å; R63-G118 WeakPolarHBondContact CB-O 3.45Å; S64-G118 PolarHBondContact OG-O 2.83Å; G118-G133 PolarHBondContact N-O 2.71Å
119	Q	97.5	Very high	95.7	Very high	65 Å²	65	43 Å²	43	30%	0.304	21%	0.207	S	C	.	.	S	Bend	trans	-72.7	-44.7	176.9	-170.7	57.7	36.2	0	0	112	S64 G133 V135	S64-Q119 WeakPolarHBondContact CB-O 3.43Å; Q119-G133 PolarHBondContact N-O 2.69Å; Q119-V135 HydrophobicContact CB-CG2 4.06Å; Q119-V135 HydrophobicContact CG-CG2 3.89Å
120	Y	97.6	Very high	95.7	Very high	44 Å²	44	35.7 Å²	35.7	17%	0.173	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.7	-175.8	-53.1	-61	0	0	0	109.5	G133 V135 V167 Y168 M170	Y120-G133 PolarHBondContact N-O 2.94Å; Y120-G133 PolarHBondContact O-N 2.73Å; Y120-V135 HydrophobicContact CE2-CG2 4.38Å; Y120-V167 HydrophobicContact CD2-CB 4.16Å; Y120-V167 HydrophobicContact CD2-CG1 3.75Å; Y120-V167 HydrophobicContact CE2-CB 3.92Å; Y120-V167 HydrophobicContact CE2-CG1 3.86Å; Y120-V167 WeakPolarHBondContact CE2-O 3.43Å; Y120-V167 VanDerWaalsContact CZ-O 3.28Å; Y120-V167 PolarHBondContact OH-O 2.83Å; Y120-Y168 WeakPolarHBondContact CE1-O 3.47Å; Y120-Y168 VanDerWaalsContact CZ-O 3.27Å; Y120-Y168 PolarHBondContact OH-O 2.8Å; Y120-M170 HydrophobicContact CG-CG 4.44Å
121	L	97	Very high	95.8	Very high	14 Å²	14	33.9 Å²	33.9	7%	0.073	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	122.9	-179.3	-176.4	66.5	0	0	0	108.9	M66 I79 F130 M131 I132	M66-L121 HydrophobicContact CB-CD2 3.78Å; M66-L121 HydrophobicContact CB-CG 4.27Å; M66-L121 HydrophobicContact CG-CB 4.31Å; M66-L121 HydrophobicContact CG-CD2 3.95Å; M66-L121 HydrophobicContact CG-CG 4.11Å; I79-L121 HydrophobicContact CB-CD2 3.89Å; I79-L121 HydrophobicContact CG2-CD1 3.88Å; I79-L121 HydrophobicContact CG2-CD2 3.59Å; I79-L121 HydrophobicContact CG2-CG 4.33Å; L121-F130 HydrophobicContact CD1-CD2 3.82Å; L121-F130 HydrophobicContact CD1-CE2 4.36Å; L121-M131 WeakPolarHBondContact CA-O 3.37Å; L121-I132 HydrophobicContact CD1-CB 4.14Å; L121-I132 HydrophobicContact CD1-CG1 4.32Å
122	A	97.3	Very high	95.9	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.3	179.2	0	0	0	0	0	109.3	F130 M131 M170 F182	A122-F130 CarbonylContact O-C 3.33Å; A122-F130 VanDerWaalsContact O-CA 3.24Å; A122-F130 WeakPolarHBondContact O-CA 3.15Å; A122-F130 WeakPolarHBondContact O-CB 3.34Å; A122-M131 HydrophobicContact CB-CB 4.46Å; A122-M131 PolarHBondContact N-O 2.87Å; A122-M131 PolarHBondContact O-N 3.39Å; A122-M170 HydrophobicContact CB-CB 4.04Å; A122-M170 HydrophobicContact CB-CE 4.49Å; A122-F182 HydrophobicContact CB-CD1 3.84Å; A122-F182 HydrophobicContact CB-CE1 4.25Å
123	V	96.3	Very high	96	Very high	18 Å²	18	30.2 Å²	30.2	11%	0.109	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.4	-178.1	177.6	0	0	0	0	108.6	M66 F68 I79 P125 F130	M66-V123 HydrophobicContact CB-CG2 3.81Å; M66-V123 HydrophobicContact CG-CG2 4.46Å; F68-V123 HydrophobicContact CB-CG1 3.56Å; I79-V123 HydrophobicContact CD1-CG2 3.89Å; V123-P125 WeakPolarHBondContact O-CD 3.45Å; V123-F130 HydrophobicContact CG2-CB 4.12Å
124	N	94.8	Very high	96	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.115	C	C	.	.			trans	-64.7	128.6	170.1	174.1	-109.7	0	0	0	109.2	K126 G127 A129 P180	N124-K126 PolarHBondContact O-N 2.9Å; N124-K126 PolarHBondContact OD1-N 2.79Å; N124-G127 WeakPolarHBondContact O-CA 3.25Å; N124-G127 PolarHBondContact O-N 2.95Å; N124-A129 VanDerWaalsContact CB-O 3.26Å; N124-A129 WeakPolarHBondContact CB-O 3.46Å; N124-A129 PolarHBondContact N-O 3.44Å; N124-P180 HydrophobicContact CB-CB 4.21Å
125	P	92.2	Very high	96	Very high	60 Å²	60	19.4 Å²	19.4	39%	0.39	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.7	-174.9	-32.6	40.3	0	0	0	115.8	V123 D174	V123-P125 WeakPolarHBondContact O-CD 3.45Å; P125-D174 HydrophobicContact CB-CB 4.1Å; P125-D174 HydrophobicContact CG-CB 3.78Å
126	K	91.7	Very high	96	Very high	35 Å²	35	16.7 Å²	16.7	15%	0.152	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	2.2	174.9	-49.4	-44.8	-171.7	-150.5	0	113.9	T71 N124 D174 G176 E243	T71-K126 PolarHBondContact OG1-O 2.77Å; N124-K126 PolarHBondContact O-N 2.9Å; N124-K126 PolarHBondContact OD1-N 2.79Å; K126-D174 WeakPolarHBondContact CE-OD1 3.36Å; K126-D174 IonicContact NZ-OD1 3.95Å; K126-D174 PolarHBondContact NZ-OD1 3.21Å; K126-D174 IonicContact NZ-OD2 3.34Å; K126-D174 PolarHBondContact NZ-OD2 2.98Å; K126-G176 WeakPolarHBondContact CG-O 3.23Å; K126-E243 IonicContact NZ-OE2 3.82Å; K126-E243 PolarHBondContact NZ-OE2 2.75Å
127	G	91.9	Very high	96	Very high	3 Å²	3	19.8 Å²	19.8	3%	0.031	10%	0.099	C	C	.	.	S	Bend	trans	73.9	22.4	174.1	0	0	0	0	0	115.8	R69 N124	R69-G127 VanDerWaalsContact O-CA 3.29Å; R69-G127 WeakPolarHBondContact O-CA 3.45Å; N124-G127 WeakPolarHBondContact O-CA 3.25Å; N124-G127 PolarHBondContact O-N 2.95Å
128	R	93.7	Very high	96	Very high	35 Å²	35	21.8 Å²	21.8	13%	0.132	11%	0.108	C	C	.	.	S	Bend	trans	-87.6	-23.8	-176.9	-64.4	177.7	-69.8	157.1	-2.8	113.8	I143 M144 G176 F177 D178 P180	R128-I143 WeakPolarHBondContact O-CG2 3.43Å; R128-M144 PolarHBondContact O-N 2.84Å; R128-G176 PolarHBondContact NH2-O 2.95Å; R128-F177 PolarHBondContact NH1-O 3.13Å; R128-D178 PolarHBondContact NH1-O 2.64Å; R128-D178 PolarHBondContact NH2-O 2.94Å; R128-P180 HydrophobicContact CB-CG 4.31Å
129	A	95.8	Very high	96.1	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.008	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	160.1	179.1	0	0	0	0	0	110.9	N124 V141 Y142 P180 F182 L213	N124-A129 VanDerWaalsContact CB-O 3.26Å; N124-A129 WeakPolarHBondContact CB-O 3.46Å; N124-A129 PolarHBondContact N-O 3.44Å; A129-V141 HydrophobicContact CB-CG1 4.33Å; A129-Y142 CarbonylContact C-O 3.1Å; A129-Y142 WeakPolarHBondContact CA-O 3.41Å; A129-Y142 WeakPolarHBondContact CB-O 3.03Å; A129-P180 HydrophobicContact CB-CB 4.38Å; A129-P180 HydrophobicContact CB-CG 4.44Å; A129-F182 HydrophobicContact CB-CE2 4.49Å; A129-F182 HydrophobicContact CB-CZ 4.13Å; A129-L213 HydrophobicContact CB-CD2 3.46Å; A129-L213 VanDerWaalsContact CB-CD2 3.46Å
130	F	96.8	Very high	96.1	Very high	1 Å²	1	19.2 Å²	19.2	0%	0.004	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.4	166.6	71.9	-96	0	0	0	110.5	I79 V87 L121 A122 V123 V141 Y142 M144 I154	I79-F130 HydrophobicContact CD1-CB 4.12Å; I79-F130 HydrophobicContact CD1-CD1 3.81Å; I79-F130 HydrophobicContact CD1-CE1 4.38Å; I79-F130 HydrophobicContact CD1-CG 3.96Å; I79-F130 HydrophobicContact CG2-CE2 4.45Å; V87-F130 HydrophobicContact CG1-CE2 4.38Å; V87-F130 HydrophobicContact CG1-CZ 4.09Å; V87-F130 HydrophobicContact CG2-CE2 3.81Å; V87-F130 HydrophobicContact CG2-CZ 3.83Å; L121-F130 HydrophobicContact CD1-CD2 3.82Å; L121-F130 HydrophobicContact CD1-CE2 4.36Å; A122-F130 CarbonylContact O-C 3.33Å; A122-F130 VanDerWaalsContact O-CA 3.24Å; A122-F130 WeakPolarHBondContact O-CA 3.15Å; A122-F130 WeakPolarHBondContact O-CB 3.34Å; V123-F130 HydrophobicContact CG2-CB 4.12Å; F130-V141 WeakPolarHBondContact O-CA 3.4Å; F130-Y142 HydrophobicContact CD2-CD2 4.31Å; F130-Y142 VanDerWaalsContact CE1-CB 3.46Å; F130-Y142 HydrophobicContact CE1-CD2 4.41Å; F130-Y142 HydrophobicContact CE1-CG 4.11Å; F130-Y142 AromaticContact CE2-CD2 3.42Å; F130-Y142 HydrophobicContact CE2-CD2 3.42Å; F130-Y142 VanDerWaalsContact CE2-CD2 3.42Å; F130-Y142 HydrophobicContact CE2-CE2 4.23Å; F130-Y142 AromaticContact CE2-CG 3.95Å; F130-Y142 HydrophobicContact CE2-CG 3.95Å; F130-Y142 VanDerWaalsContact CZ-CB 3.42Å; F130-Y142 HydrophobicContact CZ-CD1 4.46Å; F130-Y142 AromaticContact CZ-CD2 3.49Å; F130-Y142 HydrophobicContact CZ-CD2 3.49Å; F130-Y142 VanDerWaalsContact CZ-CD2 3.49Å; F130-Y142 HydrophobicContact CZ-CE2 4.35Å; F130-Y142 AromaticContact CZ-CG 3.55Å; F130-Y142 HydrophobicContact CZ-CG 3.55Å; F130-Y142 PolarHBondContact N-O 2.77Å; F130-Y142 PolarHBondContact O-N 3.26Å; F130-M144 HydrophobicContact CD1-CE 4.41Å; F130-M144 HydrophobicContact CD1-CG 3.75Å; F130-M144 HydrophobicContact CD1-SD 3.93Å; F130-M144 HydrophobicContact CE1-CE 4.04Å; F130-M144 HydrophobicContact CE1-CG 4.07Å; F130-M144 HydrophobicContact CE1-SD 3.58Å; F130-M144 VanDerWaalsContact CE1-SD 3.58Å; F130-I154 HydrophobicContact CE1-CD1 3.86Å; F130-I154 HydrophobicContact CZ-CD1 3.91Å
131	M	97.6	Very high	96.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.7	175.6	-177.3	-178.3	-77.2	0	0	109.7	L121 A122 K139 L140 V141 M170 F182 Y211	L121-M131 WeakPolarHBondContact CA-O 3.37Å; A122-M131 HydrophobicContact CB-CB 4.46Å; A122-M131 PolarHBondContact N-O 2.87Å; A122-M131 PolarHBondContact O-N 3.39Å; M131-K139 HydrophobicContact SD-CB 4.39Å; M131-K139 HydrophobicContact SD-CD 4.22Å; M131-L140 CarbonylContact C-O 3.46Å; M131-L140 VanDerWaalsContact CA-O 3.31Å; M131-L140 WeakPolarHBondContact CA-O 3.29Å; M131-V141 HydrophobicContact CB-CG2 4.03Å; M131-V141 HydrophobicContact CE-CG2 3.34Å; M131-V141 HydrophobicContact CG-CG2 3.9Å; M131-V141 HydrophobicContact SD-CG2 4.47Å; M131-M170 HydrophobicContact CB-CE 4.49Å; M131-M170 HydrophobicContact CG-CE 3.99Å; M131-M170 HydrophobicContact CG-SD 4.42Å; M131-M170 HydrophobicContact SD-CE 4.34Å; M131-M170 HydrophobicContact SD-SD 4.07Å; M131-F182 HydrophobicContact CB-CD1 3.7Å; M131-F182 HydrophobicContact CB-CD2 4.17Å; M131-F182 HydrophobicContact CB-CE1 3.74Å; M131-F182 HydrophobicContact CB-CE2 4.2Å; M131-F182 HydrophobicContact CB-CG 3.91Å; M131-F182 HydrophobicContact CB-CZ 3.99Å; M131-F182 HydrophobicContact CE-CB 3.75Å; M131-F182 HydrophobicContact CE-CD2 3.66Å; M131-F182 HydrophobicContact CE-CE2 4.47Å; M131-F182 HydrophobicContact CE-CG 3.81Å; M131-F182 HydrophobicContact SD-CB 3.98Å; M131-F182 HydrophobicContact SD-CG 4.19Å; M131-Y211 HydrophobicContact CE-CD2 4.42Å; M131-Y211 HydrophobicContact CE-CG 4.14Å
132	I	97.7	Very high	96.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.2	173.5	-167.9	170.8	0	0	0	109.8	V87 F107 P117 L121 K139 L140 Y142	V87-I132 HydrophobicContact CB-CD1 4.01Å; V87-I132 HydrophobicContact CG2-CD1 4.23Å; F107-I132 HydrophobicContact CE1-CD1 3.84Å; F107-I132 HydrophobicContact CZ-CD1 3.9Å; P117-I132 HydrophobicContact CB-CG1 4.02Å; P117-I132 HydrophobicContact CB-CG2 4.12Å; L121-I132 HydrophobicContact CD1-CB 4.14Å; L121-I132 HydrophobicContact CD1-CG1 4.32Å; I132-K139 WeakPolarHBondContact O-CA 3.34Å; I132-L140 HydrophobicContact CG2-CB 3.87Å; I132-L140 PolarHBondContact N-O 3.25Å; I132-L140 PolarHBondContact O-N 2.82Å; I132-Y142 HydrophobicContact CG2-CD2 4.36Å; I132-Y142 HydrophobicContact CG2-CE2 3.99Å
133	G	97	Very high	96.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.5	-169.4	0	0	0	0	0	112.9	G118 Q119 Y120	G118-G133 PolarHBondContact N-O 2.71Å; Q119-G133 PolarHBondContact N-O 2.69Å; Y120-G133 PolarHBondContact N-O 2.94Å; Y120-G133 PolarHBondContact O-N 2.73Å
134	A	97.9	Very high	95.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.			trans	-87.5	172.7	165.9	0	0	0	0	0	110.4	I115 P117 E136 Q138	I115-A134 VanDerWaalsContact C-CB 3.42Å; I115-A134 VanDerWaalsContact O-CB 3.31Å; I115-A134 WeakPolarHBondContact O-CB 3.25Å; P117-A134 HydrophobicContact CG-CB 4.38Å; A134-E136 VanDerWaalsContact C-N 3.26Å; A134-E136 WeakPolarHBondContact CB-O 3.48Å; A134-Q138 HydrophobicContact CB-CB 4.35Å; A134-Q138 WeakPolarHBondContact CB-O 2.87Å; A134-Q138 PolarHBondContact N-O 3.48Å
135	V	97.4	Very high	95.8	Very high	47 Å²	47	22.4 Å²	22.4	29%	0.285	12%	0.115	S	C	.	.	S	Bend	trans	-69	-32.2	170.7	178.4	0	0	0	0	110.8	R114 Q119 Y120 L166 V167	R114-V135 PolarHBondContact O-N 3.43Å; Q119-V135 HydrophobicContact CB-CG2 4.06Å; Q119-V135 HydrophobicContact CG-CG2 3.89Å; Y120-V135 HydrophobicContact CE2-CG2 4.38Å; V135-L166 CarbonylContact O-C 3.51Å; V135-L166 WeakPolarHBondContact O-CA 3.23Å; V135-V167 PolarHBondContact O-N 2.55Å
136	E	97.1	Very high	95.7	Very high	14 Å²	14	25.4 Å²	25.4	7%	0.065	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-131.8	139.3	-179	-175.8	-173.9	117.6	0	0	110.7	R114 I115 A134 Q138 T165 L166 Y189	R114-E136 WeakPolarHBondContact CD-OE2 3.45Å; R114-E136 HydrophobicContact CG-CB 4Å; R114-E136 WeakPolarHBondContact CG-OE2 3.2Å; R114-E136 IonicContact CZ-OE1 3.98Å; R114-E136 IonicContact CZ-OE2 3.35Å; R114-E136 IonicContact NE-OE1 3.09Å; R114-E136 PolarHBondContact NE-OE1 2.87Å; R114-E136 IonicContact NE-OE2 2.63Å; R114-E136 PolarHBondContact NE-OE2 2.94Å; R114-E136 IonicContact NH1-OE2 3.97Å; R114-E136 IonicContact NH2-OE1 3Å; R114-E136 PolarHBondContact NH2-OE1 2.74Å; R114-E136 IonicContact NH2-OE2 2.77Å; R114-E136 PolarHBondContact NH2-OE2 3.47Å; R114-E136 PolarHBondContact O-N 2.9Å; I115-E136 HydrophobicContact CG2-CB 4.38Å; A134-E136 VanDerWaalsContact C-N 3.26Å; A134-E136 WeakPolarHBondContact CB-O 3.48Å; E136-Q138 VanDerWaalsContact C-N 3.28Å; E136-Q138 PolarHBondContact O-N 2.94Å; E136-T165 WeakPolarHBondContact CA-O 3.26Å; E136-L166 HydrophobicContact CB-CD2 4.26Å; E136-L166 HydrophobicContact CG-CD2 4.39Å; E136-Y189 VanDerWaalsContact CD-OH 3.24Å; E136-Y189 HydrophobicContact CG-CE1 4.23Å; E136-Y189 PolarHBondContact OE1-OH 2.92Å
137	K	96.6	Very high	95.6	Very high	76 Å²	76	25.7 Å²	25.7	33%	0.33	12%	0.122	S	C	.	.	S	Bend	trans	66.5	-60.3	166.3	178.2	179.6	-179.4	175.9	0	117.8	H161 K162 T165	K137-H161 WeakPolarHBondContact O-CA 3.33Å; K137-K162 WeakPolarHBondContact CA-O 3.48Å; K137-K162 PolarHBondContact O-N 3.18Å; K137-T165 PolarHBondContact N-O 3.39Å
138	Q	97.1	Very high	95.4	Very high	44 Å²	44	31.7 Å²	31.7	21%	0.206	16%	0.163	C	C	.	.			trans	-90	131.9	-166.1	-61	-170.6	-22.8	0	0	112.7	I115 P117 A134 E136	I115-Q138 VanDerWaalsContact O-CB 3.26Å; I115-Q138 WeakPolarHBondContact O-CB 3.33Å; I115-Q138 VanDerWaalsContact O-CD 3.24Å; I115-Q138 VanDerWaalsContact O-CG 3.29Å; I115-Q138 WeakPolarHBondContact O-CG 3.25Å; I115-Q138 PolarHBondContact O-OE1 3.09Å; P117-Q138 HydrophobicContact CG-CB 4Å; A134-Q138 HydrophobicContact CB-CB 4.35Å; A134-Q138 WeakPolarHBondContact CB-O 2.87Å; A134-Q138 PolarHBondContact N-O 3.48Å; E136-Q138 VanDerWaalsContact C-N 3.28Å; E136-Q138 PolarHBondContact O-N 2.94Å
139	K	97.8	Very high	95.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	140.8	170.8	-49.9	179.3	-168.8	74.1	0	108.6	M131 I132 A160 H161 M170 E186 Y211	M131-K139 HydrophobicContact SD-CB 4.39Å; M131-K139 HydrophobicContact SD-CD 4.22Å; I132-K139 WeakPolarHBondContact O-CA 3.34Å; K139-A160 HydrophobicContact CB-CB 4.12Å; K139-A160 PolarHBondContact O-N 2.86Å; K139-H161 PolarHBondContact N-ND1 3.33Å; K139-H161 PolarHBondContact O-CE1 3.48Å; K139-H161 VanDerWaalsContact O-CE1 3.32Å; K139-H161 PolarHBondContact O-ND1 2.81Å; K139-H161 VanDerWaalsContact O-ND1 3.08Å; K139-M170 HydrophobicContact CD-SD 4.42Å; K139-E186 WeakPolarHBondContact CE-OE1 3.38Å; K139-E186 IonicContact NZ-OE1 2.79Å; K139-E186 PolarHBondContact NZ-OE1 3.25Å; K139-Y211 HydrophobicContact CD-CE2 4.03Å; K139-Y211 PolarHBondContact NZ-OH 2.67Å
140	L	97.6	Very high	94.6	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.052	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.9	179.9	-60.1	172.2	0	0	0	109.6	F107 P117 M131 I132 Y142 P157 L158 E159	F107-L140 HydrophobicContact CB-CD1 3.38Å; F107-L140 HydrophobicContact CD1-CD1 4.3Å; F107-L140 HydrophobicContact CD2-CD1 4.08Å; F107-L140 HydrophobicContact CG-CD1 3.67Å; P117-L140 HydrophobicContact CG-CD1 4.09Å; P117-L140 HydrophobicContact CG-CG 4.25Å; M131-L140 CarbonylContact C-O 3.46Å; M131-L140 VanDerWaalsContact CA-O 3.31Å; M131-L140 WeakPolarHBondContact CA-O 3.29Å; I132-L140 HydrophobicContact CG2-CB 3.87Å; I132-L140 PolarHBondContact N-O 3.25Å; I132-L140 PolarHBondContact O-N 2.82Å; L140-Y142 HydrophobicContact CB-CE2 4.15Å; L140-P157 HydrophobicContact CB-CB 4.34Å; L140-P157 HydrophobicContact CD2-CB 4.23Å; L140-L158 CarbonylContact C-O 3.54Å; L140-L158 WeakPolarHBondContact CA-O 3.31Å; L140-E159 HydrophobicContact CD2-CB 4.48Å; L140-E159 HydrophobicContact CD2-CG 3.85Å
141	V	97.6	Very high	94.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.2	176.4	-177.8	0	0	0	0	109.5	A129 F130 M131 L158 F182 L213 V220	A129-V141 HydrophobicContact CB-CG1 4.33Å; F130-V141 WeakPolarHBondContact O-CA 3.4Å; M131-V141 HydrophobicContact CB-CG2 4.03Å; M131-V141 HydrophobicContact CE-CG2 3.34Å; M131-V141 HydrophobicContact CG-CG2 3.9Å; M131-V141 HydrophobicContact SD-CG2 4.47Å; V141-L158 HydrophobicContact CB-CB 4.36Å; V141-L158 PolarHBondContact N-O 2.91Å; V141-L158 PolarHBondContact O-N 3.26Å; V141-F182 HydrophobicContact CG1-CE2 3.95Å; V141-F182 HydrophobicContact CG1-CZ 4.44Å; V141-F182 HydrophobicContact CG2-CE2 4.39Å; V141-L213 HydrophobicContact CG1-CD1 4.35Å; V141-L213 HydrophobicContact CG1-CD2 3.92Å; V141-V220 HydrophobicContact CB-CG2 3.83Å; V141-V220 HydrophobicContact CG1-CG2 4.35Å; V141-V220 HydrophobicContact CG2-CG1 4.39Å; V141-V220 HydrophobicContact CG2-CG2 3.67Å
142	Y	96.9	Very high	93.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132	175.8	-71.4	-91	0	0	0	109.3	V87 E105 A129 F130 I132 L140 I154 S155 P157	V87-Y142 HydrophobicContact CG1-CD2 4.5Å; V87-Y142 HydrophobicContact CG1-CE2 3.96Å; E105-Y142 HydrophobicContact CB-CE1 3.8Å; E105-Y142 HydrophobicContact CG-CE1 3.95Å; A129-Y142 CarbonylContact C-O 3.1Å; A129-Y142 WeakPolarHBondContact CA-O 3.41Å; A129-Y142 WeakPolarHBondContact CB-O 3.03Å; F130-Y142 HydrophobicContact CD2-CD2 4.31Å; F130-Y142 VanDerWaalsContact CE1-CB 3.46Å; F130-Y142 HydrophobicContact CE1-CD2 4.41Å; F130-Y142 HydrophobicContact CE1-CG 4.11Å; F130-Y142 AromaticContact CE2-CD2 3.42Å; F130-Y142 HydrophobicContact CE2-CD2 3.42Å; F130-Y142 VanDerWaalsContact CE2-CD2 3.42Å; F130-Y142 HydrophobicContact CE2-CE2 4.23Å; F130-Y142 AromaticContact CE2-CG 3.95Å; F130-Y142 HydrophobicContact CE2-CG 3.95Å; F130-Y142 VanDerWaalsContact CZ-CB 3.42Å; F130-Y142 HydrophobicContact CZ-CD1 4.46Å; F130-Y142 AromaticContact CZ-CD2 3.49Å; F130-Y142 HydrophobicContact CZ-CD2 3.49Å; F130-Y142 VanDerWaalsContact CZ-CD2 3.49Å; F130-Y142 HydrophobicContact CZ-CE2 4.35Å; F130-Y142 AromaticContact CZ-CG 3.55Å; F130-Y142 HydrophobicContact CZ-CG 3.55Å; F130-Y142 PolarHBondContact N-O 2.77Å; F130-Y142 PolarHBondContact O-N 3.26Å; I132-Y142 HydrophobicContact CG2-CD2 4.36Å; I132-Y142 HydrophobicContact CG2-CE2 3.99Å; L140-Y142 HydrophobicContact CB-CE2 4.15Å; Y142-I154 HydrophobicContact CD1-CD1 3.65Å; Y142-I154 HydrophobicContact CD1-CG1 3.66Å; Y142-I154 HydrophobicContact CE1-CD1 4.27Å; Y142-I154 HydrophobicContact CE1-CG1 4.49Å; Y142-I154 HydrophobicContact CG-CD1 4.03Å; Y142-I154 HydrophobicContact CG-CG1 4.24Å; Y142-S155 WeakPolarHBondContact CD1-O 3.44Å; Y142-P157 HydrophobicContact CD1-CB 4.36Å; Y142-P157 HydrophobicContact CE1-CB 3.76Å; Y142-P157 HydrophobicContact CE1-CG 4.22Å; Y142-P157 HydrophobicContact CE2-CB 4.13Å
143	I	96.2	Very high	93.7	Very high	30 Å²	30	48.4 Å²	48.4	15%	0.154	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131.5	174.3	-51	-175.9	0	0	0	107.9	R128 S155 L158 L213 L215 N218	R128-I143 WeakPolarHBondContact O-CG2 3.43Å; I143-S155 WeakPolarHBondContact CB-OG 3.44Å; I143-S155 PolarHBondContact N-OG 2.85Å; I143-S155 PolarHBondContact O-N 3.03Å; I143-L158 HydrophobicContact CD1-CD1 4.22Å; I143-L158 HydrophobicContact CG1-CD1 4.48Å; I143-L213 HydrophobicContact CD1-CD1 4.31Å; I143-L213 HydrophobicContact CD1-CD2 4.33Å; I143-L213 HydrophobicContact CG1-CD2 3.98Å; I143-L215 HydrophobicContact CD1-CD2 4.05Å; I143-L215 HydrophobicContact CG2-CD2 4.16Å; I143-N218 VanDerWaalsContact CD1-OD1 3.25Å; I143-N218 WeakPolarHBondContact CD1-OD1 3.42Å
144	M	93.6	Very high	93.5	Very high	9 Å²	9	49.8 Å²	49.8	4%	0.044	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.6	179.6	-60.3	-56.8	-93.4	0	0	109.2	F68 L70 V89 R128 F130 L152 I154	F68-M144 HydrophobicContact CE1-CE 4.19Å; F68-M144 HydrophobicContact CE2-CE 4.06Å; F68-M144 HydrophobicContact CZ-CE 3.62Å; L70-M144 HydrophobicContact CD2-CB 4.28Å; V89-M144 HydrophobicContact CG2-CE 3.85Å; R128-M144 PolarHBondContact O-N 2.84Å; F130-M144 HydrophobicContact CD1-CE 4.41Å; F130-M144 HydrophobicContact CD1-CG 3.75Å; F130-M144 HydrophobicContact CD1-SD 3.93Å; F130-M144 HydrophobicContact CE1-CE 4.04Å; F130-M144 HydrophobicContact CE1-CG 4.07Å; F130-M144 HydrophobicContact CE1-SD 3.58Å; F130-M144 VanDerWaalsContact CE1-SD 3.58Å; M144-L152 HydrophobicContact CE-CD1 3.76Å; M144-L152 HydrophobicContact CE-CD2 3.69Å; M144-L152 HydrophobicContact CE-CG 3.96Å; M144-I154 HydrophobicContact CE-CD1 4.44Å; M144-I154 HydrophobicContact SD-CB 3.98Å; M144-I154 HydrophobicContact SD-CD1 3.9Å; M144-I154 HydrophobicContact SD-CG1 3.73Å
145	N	91.4	Very high	93.3	Very high	105 Å²	105	51.4 Å²	51.4	56%	0.561	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.3	177.5	179.4	-156.8	-2.7	0	0	0	110.5	T153	N145-T153 PolarHBondContact N-O 2.82Å; N145-T153 PolarHBondContact O-N 3.26Å; N145-T153 PolarHBondContact O-OG1 3.05Å
146	R	89.5	Confident	93.1	Very high	123 Å²	123	53.8 Å²	53.8	46%	0.464	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.3	179.2	-168.6	177.2	62.3	176.4	-9.6	109.5	L70 A150 R151	L70-R146 HydrophobicContact CD1-CB 4.3Å; R146-A150 VanDerWaalsContact CG-C 3.48Å; R146-A150 VanDerWaalsContact CG-CA 3.47Å; R146-A150 HydrophobicContact CG-CB 4.41Å; R146-R151 WeakPolarHBondContact CA-O 3.47Å
147	D	90.4	Very high	93.1	Very high	41 Å²	41	55.6 Å²	55.6	22%	0.219	30%	0.3	C	S	.	.			trans	-78	178.5	173.3	76.4	2.2	0	0	0	112	Q149 A150 R151 T153	D147-Q149 PolarHBondContact O-N 3.4Å; D147-Q149 VanDerWaalsContact OD1-C 3.26Å; D147-Q149 VanDerWaalsContact OD1-CA 3.29Å; D147-Q149 WeakPolarHBondContact OD1-CA 2.92Å; D147-Q149 WeakPolarHBondContact OD1-CB 3.48Å; D147-Q149 PolarHBondContact OD1-N 3.44Å; D147-A150 PolarHBondContact O-N 3.09Å; D147-A150 VanDerWaalsContact O-N 3.11Å; D147-A150 PolarHBondContact OD1-N 3.09Å; D147-A150 VanDerWaalsContact OD1-N 3.13Å; D147-R151 PolarHBondContact N-O 3.49Å; D147-R151 WeakPolarHBondContact OD1-CB 3.45Å; D147-R151 PolarHBondContact OD1-N 2.94Å; D147-R151 IonicContact OD1-NE 2.74Å; D147-R151 IonicContact OD2-CZ 2.71Å; D147-R151 VanDerWaalsContact OD2-CZ 3.28Å; D147-R151 IonicContact OD2-NE 3.61Å; D147-R151 PolarHBondContact OD2-NE 3.24Å; D147-R151 IonicContact OD2-NH2 3.4Å; D147-R151 PolarHBondContact OD2-NH2 2.76Å; D147-T153 HydrophobicContact CB-CG2 4.12Å
148	S	88.2	Confident	93.1	Very high	129 Å²	129	53.2 Å²	53.2	90%	0.902	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.9	177.3	54.3	0	0	0	0	113.8	A150	S148-A150 VanDerWaalsContact C-N 3.3Å
149	Q	87.9	Confident	93	Very high	129 Å²	129	57.8 Å²	57.8	60%	0.603	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	12.6	176.3	-62.3	-174.8	-19.5	0	0	112.4	D147 R151	D147-Q149 PolarHBondContact O-N 3.4Å; D147-Q149 VanDerWaalsContact OD1-C 3.26Å; D147-Q149 VanDerWaalsContact OD1-CA 3.29Å; D147-Q149 WeakPolarHBondContact OD1-CA 2.92Å; D147-Q149 WeakPolarHBondContact OD1-CB 3.48Å; D147-Q149 PolarHBondContact OD1-N 3.44Å; Q149-R151 HydrophobicContact CB-CG 4.23Å; Q149-R151 PolarHBondContact O-N 3.22Å; Q149-R151 VanDerWaalsContact OE1-NH2 3.15Å
150	A	85.5	Confident	92.9	Very high	56 Å²	56	58.1 Å²	58.1	46%	0.463	32%	0.315	S	S	.	.	S	Bend	trans	63.7	15.1	-176.3	0	0	0	0	0	115.3	R146 D147 S148	R146-A150 VanDerWaalsContact CG-C 3.48Å; R146-A150 VanDerWaalsContact CG-CA 3.47Å; R146-A150 HydrophobicContact CG-CB 4.41Å; D147-A150 PolarHBondContact O-N 3.09Å; D147-A150 VanDerWaalsContact O-N 3.11Å; D147-A150 PolarHBondContact OD1-N 3.09Å; D147-A150 VanDerWaalsContact OD1-N 3.13Å; S148-A150 VanDerWaalsContact C-N 3.3Å
151	R	88.2	Confident	92.8	Very high	146 Å²	146	60.8 Å²	60.8	55%	0.551	33%	0.327	S	S	*	.			trans	-84.1	145.9	177.7	-58.6	-179.9	-60.6	-176.7	-0.3	110.8	R146 D147 Q149	R146-R151 WeakPolarHBondContact CA-O 3.47Å; D147-R151 PolarHBondContact N-O 3.49Å; D147-R151 WeakPolarHBondContact OD1-CB 3.45Å; D147-R151 PolarHBondContact OD1-N 2.94Å; D147-R151 IonicContact OD1-NE 2.74Å; D147-R151 IonicContact OD2-CZ 2.71Å; D147-R151 VanDerWaalsContact OD2-CZ 3.28Å; D147-R151 IonicContact OD2-NE 3.61Å; D147-R151 PolarHBondContact OD2-NE 3.24Å; D147-R151 IonicContact OD2-NH2 3.4Å; D147-R151 PolarHBondContact OD2-NH2 2.76Å; Q149-R151 HydrophobicContact CB-CG 4.23Å; Q149-R151 PolarHBondContact O-N 3.22Å; Q149-R151 VanDerWaalsContact OE1-NH2 3.15Å
152	L	91.6	Very high	92.7	Very high	5 Å²	5	63.9 Å²	63.9	3%	0.026	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	128.1	176.9	-178.6	74.3	0	0	0	111.2	F68 L70 V89 V102 Q103 M144	F68-L152 HydrophobicContact CE2-CD1 3.81Å; F68-L152 HydrophobicContact CZ-CD1 3.76Å; F68-L152 HydrophobicContact CZ-CD2 3.69Å; F68-L152 HydrophobicContact CZ-CG 4.37Å; L70-L152 HydrophobicContact CD1-CD1 3.7Å; L70-L152 HydrophobicContact CD2-CD1 3.78Å; L70-L152 HydrophobicContact CG-CD1 4.01Å; V89-L152 HydrophobicContact CB-CD2 4.21Å; V89-L152 HydrophobicContact CG1-CD2 3.55Å; V89-L152 HydrophobicContact CG2-CD2 4.42Å; V102-L152 HydrophobicContact CG1-CB 4.03Å; V102-L152 HydrophobicContact CG1-CD2 4.04Å; Q103-L152 HydrophobicContact CG-CD2 4.2Å; Q103-L152 PolarHBondContact NE2-O 2.95Å; M144-L152 HydrophobicContact CE-CD1 3.76Å; M144-L152 HydrophobicContact CE-CD2 3.69Å; M144-L152 HydrophobicContact CE-CG 3.96Å
153	T	92.3	Very high	92.6	Very high	52 Å²	52	66.7 Å²	66.7	32%	0.319	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.5	172.2	58.6	0	0	0	0	110.5	N145 D147	N145-T153 PolarHBondContact N-O 2.82Å; N145-T153 PolarHBondContact O-N 3.26Å; N145-T153 PolarHBondContact O-OG1 3.05Å; D147-T153 HydrophobicContact CB-CG2 4.12Å
154	I	93.4	Very high	92.6	Very high	29 Å²	29	67.5 Å²	67.5	15%	0.149	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.8	179.2	-171.2	160.2	0	0	0	109.3	Q103 E105 F130 Y142 M144	Q103-I154 HydrophobicContact CB-CG2 4.18Å; Q103-I154 HydrophobicContact CG-CB 4.26Å; Q103-I154 HydrophobicContact CG-CG2 3.89Å; E105-I154 HydrophobicContact CG-CD1 3.78Å; E105-I154 HydrophobicContact CG-CG1 4.24Å; E105-I154 HydrophobicContact CG-CG2 3.84Å; F130-I154 HydrophobicContact CE1-CD1 3.86Å; F130-I154 HydrophobicContact CZ-CD1 3.91Å; Y142-I154 HydrophobicContact CD1-CD1 3.65Å; Y142-I154 HydrophobicContact CD1-CG1 3.66Å; Y142-I154 HydrophobicContact CE1-CD1 4.27Å; Y142-I154 HydrophobicContact CE1-CG1 4.49Å; Y142-I154 HydrophobicContact CG-CD1 4.03Å; Y142-I154 HydrophobicContact CG-CG1 4.24Å; M144-I154 HydrophobicContact CE-CD1 4.44Å; M144-I154 HydrophobicContact SD-CB 3.98Å; M144-I154 HydrophobicContact SD-CD1 3.9Å; M144-I154 HydrophobicContact SD-CG1 3.73Å
155	S	93.3	Very high	92.7	Very high	35 Å²	35	67.3 Å²	67.3	25%	0.245	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-78.6	168.7	175.5	73	0	0	0	0	112.3	Y142 I143	Y142-S155 WeakPolarHBondContact CD1-O 3.44Å; I143-S155 WeakPolarHBondContact CB-OG 3.44Å; I143-S155 PolarHBondContact N-OG 2.85Å; I143-S155 PolarHBondContact O-N 3.03Å
156	S	94	Very high	93	Very high	97 Å²	97	64.3 Å²	64.3	68%	0.678	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-57.3	149.7	159.5	-58.1	0	0	0	0	110.7
157	P	95.8	Very high	93.4	Very high	52 Å²	52	58.6 Å²	58.6	34%	0.338	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-68.8	138.6	179.2	26.4	-32.8	0	0	0	111.7	L140 Y142	L140-P157 HydrophobicContact CB-CB 4.34Å; L140-P157 HydrophobicContact CD2-CB 4.23Å; Y142-P157 HydrophobicContact CD1-CB 4.36Å; Y142-P157 HydrophobicContact CE1-CB 3.76Å; Y142-P157 HydrophobicContact CE1-CG 4.22Å; Y142-P157 HydrophobicContact CE2-CB 4.13Å
158	L	96.7	Very high	93.7	Very high	25 Å²	25	60.6 Å²	60.6	13%	0.131	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.4	169.5	-57.3	176.7	0	0	0	109.5	L140 V141 I143 L213 N218 V220	L140-L158 CarbonylContact C-O 3.54Å; L140-L158 WeakPolarHBondContact CA-O 3.31Å; V141-L158 HydrophobicContact CB-CB 4.36Å; V141-L158 PolarHBondContact N-O 2.91Å; V141-L158 PolarHBondContact O-N 3.26Å; I143-L158 HydrophobicContact CD1-CD1 4.22Å; I143-L158 HydrophobicContact CG1-CD1 4.48Å; L158-L213 HydrophobicContact CD1-CD1 3.41Å; L158-L213 VanDerWaalsContact CD1-CD1 3.41Å; L158-N218 VanDerWaalsContact CD2-O 3.28Å; L158-N218 WeakPolarHBondContact CD2-O 3.38Å; L158-V220 HydrophobicContact CB-CG2 3.89Å; L158-V220 HydrophobicContact CD1-CG2 4.24Å
159	E	95.5	Very high	94.1	Very high	140 Å²	140	56.9 Å²	56.9	65%	0.654	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	129.3	-175.6	-62.7	-178.2	-179.4	0	0	111.8	L140 H161	L140-E159 HydrophobicContact CD2-CB 4.48Å; L140-E159 HydrophobicContact CD2-CG 3.85Å; E159-H161 IonicContact OE2-CD2 3.68Å
160	A	94.9	Very high	94.5	Very high	8 Å²	8	51 Å²	51	7%	0.066	27%	0.272	C	S	.	.			trans	-122.5	48.2	173.3	0	0	0	0	0	110.8	K139 Y211 V220	K139-A160 HydrophobicContact CB-CB 4.12Å; K139-A160 PolarHBondContact O-N 2.86Å; A160-Y211 HydrophobicContact CB-CD1 4.13Å; A160-Y211 HydrophobicContact CB-CE1 4.11Å; A160-V220 HydrophobicContact CB-CB 4.22Å; A160-V220 HydrophobicContact CB-CG1 3.9Å
161	H	95.6	Very high	95.1	Very high	65 Å²	65	49.3 Å²	49.3	30%	0.301	26%	0.257	S	S	.	.			trans	-76.8	138.5	-173.5	-64.3	-1.5	0	0	0	112.4	K137 K139 E159	K137-H161 WeakPolarHBondContact O-CA 3.33Å; K139-H161 PolarHBondContact N-ND1 3.33Å; K139-H161 PolarHBondContact O-CE1 3.48Å; K139-H161 VanDerWaalsContact O-CE1 3.32Å; K139-H161 PolarHBondContact O-ND1 2.81Å; K139-H161 VanDerWaalsContact O-ND1 3.08Å; E159-H161 IonicContact OE2-CD2 3.68Å
162	K	95.4	Very high	95.5	Very high	65 Å²	65	42.5 Å²	42.5	28%	0.283	23%	0.232	S	C	.	.			trans	-136.6	115	170.1	173.5	68.3	172.7	71.6	0	109	K137 T165 D188	K137-K162 WeakPolarHBondContact CA-O 3.48Å; K137-K162 PolarHBondContact O-N 3.18Å; K162-T165 WeakPolarHBondContact CG-OG1 3.32Å; K162-D188 IonicContact NZ-OD2 2.83Å; K162-D188 PolarHBondContact NZ-OD2 2.78Å
163	S	95	Very high	95.7	Very high	59 Å²	59	42.3 Å²	42.3	41%	0.413	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	150.1	177.8	-61.6	0	0	0	0	111.4	T165	S163-T165 PolarHBondContact O-N 2.88Å; S163-T165 PolarHBondContact O-OG1 2.79Å
164	N	95.7	Very high	95.8	Very high	48 Å²	48	40.1 Å²	40.1	26%	0.257	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	27.6	173.3	-48.6	2.5	0	0	0	113.9	D188 Y189 E190	N164-D188 WeakPolarHBondContact O-CA 3.37Å; N164-D188 VanDerWaalsContact O-OD1 3.07Å; N164-Y189 VanDerWaalsContact C-CD1 3.49Å; N164-Y189 VanDerWaalsContact CA-CE1 3.47Å; N164-Y189 HydrophobicContact CB-CE1 4.25Å; N164-Y189 HydrophobicContact CB-CE2 4.45Å; N164-Y189 WeakPolarHBondContact O-CD1 3.4Å; N164-Y189 VanDerWaalsContact O-CE1 3.24Å; N164-Y189 WeakPolarHBondContact O-CE1 3.3Å; N164-Y189 PolarHBondContact O-N 2.75Å; N164-Y189 VanDerWaalsContact O-N 3.08Å; N164-E190 HydrophobicContact CB-CB 3.9Å; N164-E190 WeakPolarHBondContact ND2-CB 3.37Å; N164-E190 WeakPolarHBondContact ND2-CG 3.34Å; N164-E190 PolarHBondContact ND2-OE1 2.99Å; N164-E190 PolarHBondContact ND2-OE2 3.47Å
165	T	96.8	Very high	95.8	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.025	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.2	-179.1	-60.6	0	0	0	0	110.7	E136 K137 K162 S163 E186 M187	E136-T165 WeakPolarHBondContact CA-O 3.26Å; K137-T165 PolarHBondContact N-O 3.39Å; K162-T165 WeakPolarHBondContact CG-OG1 3.32Å; S163-T165 PolarHBondContact O-N 2.88Å; S163-T165 PolarHBondContact O-OG1 2.79Å; T165-E186 HydrophobicContact CG2-CB 3.64Å; T165-E186 HydrophobicContact CG2-CG 3.88Å; T165-M187 CarbonylContact C-O 3.49Å; T165-M187 WeakPolarHBondContact CA-O 3.32Å
166	L	97.4	Very high	95.7	Very high	42 Å²	42	38 Å²	38	22%	0.22	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	145.3	168.9	-62.9	174.8	0	0	0	109.7	V135 E136 Y168 E186 M187 Y189	V135-L166 CarbonylContact O-C 3.51Å; V135-L166 WeakPolarHBondContact O-CA 3.23Å; E136-L166 HydrophobicContact CB-CD2 4.26Å; E136-L166 HydrophobicContact CG-CD2 4.39Å; L166-Y168 HydrophobicContact CB-CE2 4.17Å; L166-E186 CarbonylContact O-C 3.59Å; L166-E186 WeakPolarHBondContact O-CA 3.22Å; L166-M187 HydrophobicContact CD1-CE 3.85Å; L166-M187 PolarHBondContact N-O 2.98Å; L166-M187 PolarHBondContact O-N 3.17Å; L166-Y189 HydrophobicContact CD1-CD1 4.27Å; L166-Y189 HydrophobicContact CD2-CD1 4.33Å; L166-Y189 HydrophobicContact CD2-CE1 4.18Å; L166-Y189 HydrophobicContact CG-CD1 3.77Å; L166-Y189 HydrophobicContact CG-CE1 4.09Å
167	V	97.4	Very high	95.6	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.5	175.1	-177.6	0	0	0	0	108	Y120 V135 M170 I185	Y120-V167 HydrophobicContact CD2-CB 4.16Å; Y120-V167 HydrophobicContact CD2-CG1 3.75Å; Y120-V167 HydrophobicContact CE2-CB 3.92Å; Y120-V167 HydrophobicContact CE2-CG1 3.86Å; Y120-V167 WeakPolarHBondContact CE2-O 3.43Å; Y120-V167 VanDerWaalsContact CZ-O 3.28Å; Y120-V167 PolarHBondContact OH-O 2.83Å; V135-V167 PolarHBondContact O-N 2.55Å; V167-M170 HydrophobicContact CG1-CG 3.62Å; V167-M170 HydrophobicContact CG1-SD 4.13Å; V167-I185 WeakPolarHBondContact CA-O 3.43Å
168	Y	96.8	Very high	95.4	Very high	83 Å²	83	43.8 Å²	43.8	33%	0.325	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-40.7	179.6	-75.8	-110.2	0	0	0	111.6	Y120 L166 I185 M187	Y120-Y168 WeakPolarHBondContact CE1-O 3.47Å; Y120-Y168 VanDerWaalsContact CZ-O 3.27Å; Y120-Y168 PolarHBondContact OH-O 2.8Å; L166-Y168 HydrophobicContact CB-CE2 4.17Å; Y168-I185 HydrophobicContact CD2-CG2 4.39Å; Y168-I185 HydrophobicContact CG-CG2 4.27Å; Y168-I185 PolarHBondContact N-O 3.35Å; Y168-M187 HydrophobicContact CE2-CB 3.99Å; Y168-M187 HydrophobicContact CE2-CE 4.3Å; Y168-M187 VanDerWaalsContact OH-CE 3.24Å; Y168-M187 WeakPolarHBondContact OH-CE 3.42Å
169	H	97.5	Very high	95.3	Very high	52 Å²	52	44.9 Å²	44.9	24%	0.241	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	157.7	176.6	-167	-106.2	0	0	0	111	C184 I185 F234 L235	H169-C184 WeakPolarHBondContact O-CA 3.49Å; H169-I185 HydrophobicContact CB-CD1 4.17Å; H169-I185 PolarHBondContact O-N 2.82Å; H169-F234 HydrophobicContact CB-CB 4.25Å; H169-L235 PolarHBondContact CE1-O 3.38Å; H169-L235 PolarHBondContact ND1-N 3.35Å; H169-L235 VanDerWaalsContact ND1-N 3.13Å
170	M	96.8	Very high	95.4	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.02	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	142.3	175.7	-52.4	-169.7	-38.8	0	0	110.3	Y120 A122 M131 K139 V167 A183 C184	Y120-M170 HydrophobicContact CG-CG 4.44Å; A122-M170 HydrophobicContact CB-CB 4.04Å; A122-M170 HydrophobicContact CB-CE 4.49Å; M131-M170 HydrophobicContact CB-CE 4.49Å; M131-M170 HydrophobicContact CG-CE 3.99Å; M131-M170 HydrophobicContact CG-SD 4.42Å; M131-M170 HydrophobicContact SD-CE 4.34Å; M131-M170 HydrophobicContact SD-SD 4.07Å; K139-M170 HydrophobicContact CD-SD 4.42Å; V167-M170 HydrophobicContact CG1-CG 3.62Å; V167-M170 HydrophobicContact CG1-SD 4.13Å; M170-A183 CarbonylContact C-O 3.59Å; M170-A183 WeakPolarHBondContact CA-O 3.26Å; M170-C184 HydrophobicContact CG-CB 4.46Å
171	V	96.6	Very high	95.4	Very high	22 Å²	22	38 Å²	38	13%	0.133	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	149.5	175.4	76.8	0	0	0	0	111.2	F182 A183 L235 A237 I248	V171-F182 CarbonylContact O-C 3.56Å; V171-F182 WeakPolarHBondContact O-CA 3.28Å; V171-A183 HydrophobicContact CG1-CB 4.13Å; V171-A183 PolarHBondContact N-O 2.92Å; V171-A183 PolarHBondContact O-N 2.9Å; V171-L235 HydrophobicContact CB-CB 4.19Å; V171-L235 HydrophobicContact CG1-CB 3.72Å; V171-L235 HydrophobicContact CG1-CD1 3.93Å; V171-A237 HydrophobicContact CG2-CB 3.73Å; V171-I248 HydrophobicContact CG1-CG2 4.04Å
172	G	96.2	Very high	95.5	Very high	3 Å²	3	35 Å²	35	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.5	171.8	0	0	0	0	0	110.3	A237	G172-A237 VanDerWaalsContact O-CB 3.32Å; G172-A237 WeakPolarHBondContact O-CB 3.27Å
173	V	95.9	Very high	95.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	134.7	178.4	-172.6	0	0	0	0	109.2	V175 L181 A183 Y210 I248	V173-V175 HydrophobicContact CB-CG1 4.4Å; V173-V175 HydrophobicContact CG1-CG1 4.03Å; V173-V175 PolarHBondContact O-N 2.72Å; V173-V175 VanDerWaalsContact O-N 3.1Å; V173-L181 HydrophobicContact CB-CB 4.15Å; V173-L181 HydrophobicContact CB-CD2 4.18Å; V173-L181 HydrophobicContact CB-CG 4.42Å; V173-L181 HydrophobicContact CG1-CD2 4.3Å; V173-L181 HydrophobicContact CG2-CD2 4.19Å; V173-L181 HydrophobicContact CG2-CG 4.34Å; V173-L181 PolarHBondContact N-O 2.84Å; V173-A183 HydrophobicContact CG2-CB 3.8Å; V173-Y210 HydrophobicContact CG2-CD1 4.17Å; V173-Y210 HydrophobicContact CG2-CE1 4.04Å; V173-I248 HydrophobicContact CG2-CG2 3.95Å
174	D	94.4	Very high	95.7	Very high	7 Å²	7	29 Å²	29	4%	0.037	14%	0.144	C	C	.	.			trans	-81.7	87.9	177.5	-164.4	-3.1	0	0	0	110.9	P125 K126 G176 G240 S246	P125-D174 HydrophobicContact CB-CB 4.1Å; P125-D174 HydrophobicContact CG-CB 3.78Å; K126-D174 WeakPolarHBondContact CE-OD1 3.36Å; K126-D174 IonicContact NZ-OD1 3.95Å; K126-D174 PolarHBondContact NZ-OD1 3.21Å; K126-D174 IonicContact NZ-OD2 3.34Å; K126-D174 PolarHBondContact NZ-OD2 2.98Å; D174-G176 VanDerWaalsContact C-N 3.28Å; D174-G176 PolarHBondContact O-N 2.52Å; D174-G176 PolarHBondContact OD1-N 2.74Å; D174-G240 VanDerWaalsContact O-CA 3.32Å; D174-G240 WeakPolarHBondContact O-CA 3.43Å; D174-G240 PolarHBondContact OD2-N 2.86Å; D174-G240 VanDerWaalsContact OD2-N 3.17Å; D174-S246 VanDerWaalsContact O-CB 3.32Å; D174-S246 WeakPolarHBondContact O-CB 3.41Å; D174-S246 PolarHBondContact O-OG 2.78Å
175	V	93.2	Very high	95.7	Very high	14 Å²	14	26.8 Å²	26.8	9%	0.085	13%	0.132	C	C	.	.			trans	-93.7	24.1	176.3	-63.3	0	0	0	0	112.4	V173 F177 D178 N179 L181 F261	V173-V175 HydrophobicContact CB-CG1 4.4Å; V173-V175 HydrophobicContact CG1-CG1 4.03Å; V173-V175 PolarHBondContact O-N 2.72Å; V173-V175 VanDerWaalsContact O-N 3.1Å; V175-F177 PolarHBondContact O-N 2.91Å; V175-D178 HydrophobicContact CB-CB 4.35Å; V175-D178 HydrophobicContact CG2-CB 4.3Å; V175-D178 PolarHBondContact O-N 2.82Å; V175-N179 WeakPolarHBondContact CG2-O 3.4Å; V175-L181 HydrophobicContact CG1-CB 3.92Å; V175-L181 HydrophobicContact CG1-CD2 4.11Å; V175-L181 HydrophobicContact CG2-CB 4.42Å; V175-F261 HydrophobicContact CG1-CE1 4.22Å; V175-F261 HydrophobicContact CG1-CZ 4.32Å
176	G	91.3	Very high	95.7	Very high	6 Å²	6	26.6 Å²	26.6	6%	0.062	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	-124.6	-175.8	0	0	0	0	0	111.7	K126 R128 D174	K126-G176 WeakPolarHBondContact CG-O 3.23Å; R128-G176 PolarHBondContact NH2-O 2.95Å; D174-G176 VanDerWaalsContact C-N 3.28Å; D174-G176 PolarHBondContact O-N 2.52Å; D174-G176 PolarHBondContact OD1-N 2.74Å
177	F	91.8	Very high	95.6	Very high	147 Å²	147	25.9 Å²	25.9	65%	0.645	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.2	4.8	179.8	-71.7	-75.5	0	0	0	114.4	T71 R128 V175	T71-F177 HydrophobicContact CG2-CE1 4.05Å; T71-F177 HydrophobicContact CG2-CZ 4.31Å; R128-F177 PolarHBondContact NH1-O 3.13Å; V175-F177 PolarHBondContact O-N 2.91Å
178	D	92.9	Very high	95.5	Very high	122 Å²	122	28.2 Å²	28.2	65%	0.652	14%	0.14	S	C	*	.	S	Bend	trans	-67.7	177.9	171.8	-69.5	-35.9	0	0	0	111.8	R128 V175	R128-D178 PolarHBondContact NH1-O 2.64Å; R128-D178 PolarHBondContact NH2-O 2.94Å; V175-D178 HydrophobicContact CB-CB 4.35Å; V175-D178 HydrophobicContact CG2-CB 4.3Å; V175-D178 PolarHBondContact O-N 2.82Å
179	N	95	Very high	95.5	Very high	48 Å²	48	26.1 Å²	26.1	26%	0.257	13%	0.131	S	C	.	.	S	Bend	trans	-54.7	126.3	178.3	-83	-24.4	0	0	0	111.4	V175 L181 E212 L213 L215	V175-N179 WeakPolarHBondContact CG2-O 3.4Å; N179-L181 PolarHBondContact O-N 2.85Å; N179-E212 HydrophobicContact CB-CG 3.83Å; N179-E212 WeakPolarHBondContact CB-OE1 3.41Å; N179-L213 VanDerWaalsContact CB-O 3.3Å; N179-L213 WeakPolarHBondContact CB-O 3.45Å; N179-L215 PolarHBondContact OD1-N 3.07Å
180	P	96	Very high	95.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.			trans	-54.3	131.7	-177.6	-27.1	35.1	0	0	0	112.6	N124 R128 A129 L213 L215	N124-P180 HydrophobicContact CB-CB 4.21Å; R128-P180 HydrophobicContact CB-CG 4.31Å; A129-P180 HydrophobicContact CB-CB 4.38Å; A129-P180 HydrophobicContact CB-CG 4.44Å; P180-L213 HydrophobicContact CB-CB 4.26Å; P180-L213 HydrophobicContact CB-CD2 4.32Å; P180-L213 HydrophobicContact CG-CD2 4.2Å; P180-L213 PolarHBondContact O-N 3.12Å; P180-L215 HydrophobicContact CG-CD1 4.2Å; P180-L215 HydrophobicContact CG-CD2 4.47Å; P180-L215 HydrophobicContact CG-CG 4.39Å
181	L	96	Very high	95.2	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.6	-177.4	-167.2	75.5	0	0	0	109.9	V173 V175 N179 Y210 Y211 E212 F261	V173-L181 HydrophobicContact CB-CB 4.15Å; V173-L181 HydrophobicContact CB-CD2 4.18Å; V173-L181 HydrophobicContact CB-CG 4.42Å; V173-L181 HydrophobicContact CG1-CD2 4.3Å; V173-L181 HydrophobicContact CG2-CD2 4.19Å; V173-L181 HydrophobicContact CG2-CG 4.34Å; V173-L181 PolarHBondContact N-O 2.84Å; V175-L181 HydrophobicContact CG1-CB 3.92Å; V175-L181 HydrophobicContact CG1-CD2 4.11Å; V175-L181 HydrophobicContact CG2-CB 4.42Å; N179-L181 PolarHBondContact O-N 2.85Å; L181-Y210 HydrophobicContact CD2-CD1 3.63Å; L181-Y210 HydrophobicContact CD2-CE1 4.28Å; L181-Y210 HydrophobicContact CD2-CG 4.4Å; L181-Y210 HydrophobicContact CG-CD1 4.07Å; L181-Y211 CarbonylContact C-O 3.54Å; L181-Y211 WeakPolarHBondContact CA-O 3.49Å; L181-E212 HydrophobicContact CD1-CB 3.73Å; L181-E212 HydrophobicContact CD1-CG 4.38Å; L181-F261 HydrophobicContact CD2-CD1 3.91Å; L181-F261 HydrophobicContact CD2-CE1 3.69Å
182	F	97.3	Very high	95	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.5	175.8	-60.3	-83	0	0	0	109.7	A122 A129 M131 V141 V171 Y210 Y211	A122-F182 HydrophobicContact CB-CD1 3.84Å; A122-F182 HydrophobicContact CB-CE1 4.25Å; A129-F182 HydrophobicContact CB-CE2 4.49Å; A129-F182 HydrophobicContact CB-CZ 4.13Å; M131-F182 HydrophobicContact CB-CD1 3.7Å; M131-F182 HydrophobicContact CB-CD2 4.17Å; M131-F182 HydrophobicContact CB-CE1 3.74Å; M131-F182 HydrophobicContact CB-CE2 4.2Å; M131-F182 HydrophobicContact CB-CG 3.91Å; M131-F182 HydrophobicContact CB-CZ 3.99Å; M131-F182 HydrophobicContact CE-CB 3.75Å; M131-F182 HydrophobicContact CE-CD2 3.66Å; M131-F182 HydrophobicContact CE-CE2 4.47Å; M131-F182 HydrophobicContact CE-CG 3.81Å; M131-F182 HydrophobicContact SD-CB 3.98Å; M131-F182 HydrophobicContact SD-CG 4.19Å; V141-F182 HydrophobicContact CG1-CE2 3.95Å; V141-F182 HydrophobicContact CG1-CZ 4.44Å; V141-F182 HydrophobicContact CG2-CE2 4.39Å; V171-F182 CarbonylContact O-C 3.56Å; V171-F182 WeakPolarHBondContact O-CA 3.28Å; F182-Y210 CarbonylContact O-C 3.57Å; F182-Y210 WeakPolarHBondContact O-CA 3.37Å; F182-Y211 PolarHBondContact N-O 3.13Å; F182-Y211 PolarHBondContact O-N 2.8Å
183	A	96.8	Very high	95	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.8	176.2	0	0	0	0	0	110.1	M170 V171 V173 L208 T209 Y210 L235 I248	M170-A183 CarbonylContact C-O 3.59Å; M170-A183 WeakPolarHBondContact CA-O 3.26Å; V171-A183 HydrophobicContact CG1-CB 4.13Å; V171-A183 PolarHBondContact N-O 2.92Å; V171-A183 PolarHBondContact O-N 2.9Å; V173-A183 HydrophobicContact CG2-CB 3.8Å; A183-L208 HydrophobicContact CB-CD1 4.29Å; A183-T209 WeakPolarHBondContact CA-O 3.39Å; A183-Y210 HydrophobicContact CB-CD1 3.96Å; A183-Y210 HydrophobicContact CB-CE1 3.9Å; A183-L235 HydrophobicContact CB-CD1 4.07Å; A183-I248 HydrophobicContact CB-CD1 3.96Å; A183-I248 HydrophobicContact CB-CG2 4.18Å
184	C	97.3	Very high	94.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.1	-178.8	-61.5	0	0	0	0	110.2	H169 M170 E186 T209 Y211	H169-C184 WeakPolarHBondContact O-CA 3.49Å; M170-C184 HydrophobicContact CG-CB 4.46Å; C184-E186 HydrophobicContact CB-CG 3.91Å; C184-T209 PolarHBondContact N-O 3.47Å; C184-T209 PolarHBondContact O-N 3.4Å; C184-Y211 HydrophobicContact CB-CE2 4.41Å
185	I	97.1	Very high	94.8	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	117.4	163.2	-57.9	167	0	0	0	107.2	V167 Y168 H169 Q206 L228 A232 L235	V167-I185 WeakPolarHBondContact CA-O 3.43Å; Y168-I185 HydrophobicContact CD2-CG2 4.39Å; Y168-I185 HydrophobicContact CG-CG2 4.27Å; Y168-I185 PolarHBondContact N-O 3.35Å; H169-I185 HydrophobicContact CB-CD1 4.17Å; H169-I185 PolarHBondContact O-N 2.82Å; I185-Q206 HydrophobicContact CG2-CB 4.26Å; I185-Q206 HydrophobicContact CG2-CG 4.26Å; I185-Q206 VanDerWaalsContact CG2-OE1 3.3Å; I185-L228 HydrophobicContact CG2-CD1 4.5Å; I185-A232 HydrophobicContact CD1-CB 3.63Å; I185-A232 HydrophobicContact CG1-CB 4.4Å; I185-L235 HydrophobicContact CD1-CD1 4.48Å; I185-L235 HydrophobicContact CD1-CD2 3.69Å; I185-L235 HydrophobicContact CD1-CG 3.76Å; I185-L235 HydrophobicContact CG1-CD1 3.98Å; I185-L235 HydrophobicContact CG1-CD2 3.72Å; I185-L235 HydrophobicContact CG1-CG 3.78Å
186	E	97	Very high	94.8	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	153.9	-174.8	-66.8	-168.8	144.7	0	0	111.8	K139 T165 L166 C184 Q206 L207 T209 Y211 R222	K139-E186 WeakPolarHBondContact CE-OE1 3.38Å; K139-E186 IonicContact NZ-OE1 2.79Å; K139-E186 PolarHBondContact NZ-OE1 3.25Å; T165-E186 HydrophobicContact CG2-CB 3.64Å; T165-E186 HydrophobicContact CG2-CG 3.88Å; L166-E186 CarbonylContact O-C 3.59Å; L166-E186 WeakPolarHBondContact O-CA 3.22Å; C184-E186 HydrophobicContact CB-CG 3.91Å; E186-Q206 CarbonylContact O-C 3.59Å; E186-Q206 WeakPolarHBondContact O-CA 3.25Å; E186-L207 HydrophobicContact CB-CB 4.45Å; E186-L207 PolarHBondContact N-O 3.48Å; E186-L207 PolarHBondContact O-N 3.13Å; E186-T209 WeakPolarHBondContact OE2-CB 3.35Å; E186-T209 PolarHBondContact OE2-OG1 2.9Å; E186-Y211 PolarHBondContact OE1-OH 3.27Å; E186-Y211 VanDerWaalsContact OE1-OH 3.07Å; E186-R222 IonicContact OE2-NH2 2.7Å
187	M	95.4	Very high	95	Very high	27 Å²	27	56 Å²	56	13%	0.133	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	126.3	168.8	-171.4	170.9	69.8	0	0	109.3	T165 L166 Y168	T165-M187 CarbonylContact C-O 3.49Å; T165-M187 WeakPolarHBondContact CA-O 3.32Å; L166-M187 HydrophobicContact CD1-CE 3.85Å; L166-M187 PolarHBondContact N-O 2.98Å; L166-M187 PolarHBondContact O-N 3.17Å; Y168-M187 HydrophobicContact CE2-CB 3.99Å; Y168-M187 HydrophobicContact CE2-CE 4.3Å; Y168-M187 VanDerWaalsContact OH-CE 3.24Å; Y168-M187 WeakPolarHBondContact OH-CE 3.42Å
188	D	95.2	Very high	95	Very high	52 Å²	52	50.1 Å²	50.1	28%	0.278	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123	173.7	-155.9	-34.1	0	0	0	109	K162 N164 E190	K162-D188 IonicContact NZ-OD2 2.83Å; K162-D188 PolarHBondContact NZ-OD2 2.78Å; N164-D188 WeakPolarHBondContact O-CA 3.37Å; N164-D188 VanDerWaalsContact O-OD1 3.07Å; D188-E190 WeakPolarHBondContact OD1-CB 3.05Å; D188-E190 PolarHBondContact OD1-N 2.99Å; D188-E190 VanDerWaalsContact OD1-N 3.16Å
189	Y	95.4	Very high	95	Very high	38 Å²	38	50.7 Å²	50.7	15%	0.149	28%	0.278	C	S	.	.			trans	-110.3	5.1	-176.9	67.9	-91.6	0	0	0	112.8	E136 N164 L166 D191 A192 D193	E136-Y189 VanDerWaalsContact CD-OH 3.24Å; E136-Y189 HydrophobicContact CG-CE1 4.23Å; E136-Y189 PolarHBondContact OE1-OH 2.92Å; N164-Y189 VanDerWaalsContact C-CD1 3.49Å; N164-Y189 VanDerWaalsContact CA-CE1 3.47Å; N164-Y189 HydrophobicContact CB-CE1 4.25Å; N164-Y189 HydrophobicContact CB-CE2 4.45Å; N164-Y189 WeakPolarHBondContact O-CD1 3.4Å; N164-Y189 VanDerWaalsContact O-CE1 3.24Å; N164-Y189 WeakPolarHBondContact O-CE1 3.3Å; N164-Y189 PolarHBondContact O-N 2.75Å; N164-Y189 VanDerWaalsContact O-N 3.08Å; L166-Y189 HydrophobicContact CD1-CD1 4.27Å; L166-Y189 HydrophobicContact CD2-CD1 4.33Å; L166-Y189 HydrophobicContact CD2-CE1 4.18Å; L166-Y189 HydrophobicContact CG-CD1 3.77Å; L166-Y189 HydrophobicContact CG-CE1 4.09Å; Y189-D191 PolarHBondContact O-N 3.02Å; Y189-A192 PolarHBondContact O-N 2.92Å; Y189-D193 WeakPolarHBondContact CD2-OD2 3.34Å; Y189-D193 WeakPolarHBondContact CE2-OD2 3.16Å; Y189-D193 PolarHBondContact O-N 2.89Å; Y189-D193 VanDerWaalsContact O-N 3.08Å
190	E	95.1	Very high	94.8	Very high	78 Å²	78	49.9 Å²	49.9	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-58.2	-47.2	-178.3	-177.1	160	-156.3	0	0	112.6	N164 D188 A192 D193 Q194	N164-E190 HydrophobicContact CB-CB 3.9Å; N164-E190 WeakPolarHBondContact ND2-CB 3.37Å; N164-E190 WeakPolarHBondContact ND2-CG 3.34Å; N164-E190 PolarHBondContact ND2-OE1 2.99Å; N164-E190 PolarHBondContact ND2-OE2 3.47Å; D188-E190 WeakPolarHBondContact OD1-CB 3.05Å; D188-E190 PolarHBondContact OD1-N 2.99Å; D188-E190 VanDerWaalsContact OD1-N 3.16Å; E190-A192 VanDerWaalsContact C-N 3.33Å; E190-A192 PolarHBondContact O-N 2.76Å; E190-D193 PolarHBondContact O-N 3.22Å; E190-Q194 WeakPolarHBondContact O-CG 3.26Å; E190-Q194 PolarHBondContact O-N 3.08Å
191	D	93.2	Very high	94.6	Very high	118 Å²	118	52.6 Å²	52.6	63%	0.631	30%	0.301	S	S	*	.	H	α-helix	trans	-68.3	-34.8	179.8	-65.9	-28.3	0	0	0	111.6	Y189 Q194 D195 A200	Y189-D191 PolarHBondContact O-N 3.02Å; D191-Q194 PolarHBondContact O-N 3.22Å; D191-D195 WeakPolarHBondContact O-CB 3.39Å; D191-D195 PolarHBondContact O-N 2.7Å; D191-D195 VanDerWaalsContact O-N 3.09Å; D191-A200 HydrophobicContact CB-CB 4.34Å
192	A	93.7	Very high	94.2	Very high	24 Å²	24	61.4 Å²	61.4	20%	0.198	33%	0.334	C	S	.	.	H	α-helix	trans	-65.9	-38.5	178.5	0	0	0	0	0	112.7	Y189 E190 Q194 A201	Y189-A192 PolarHBondContact O-N 2.92Å; E190-A192 VanDerWaalsContact C-N 3.33Å; E190-A192 PolarHBondContact O-N 2.76Å; A192-Q194 VanDerWaalsContact C-N 3.34Å; A192-A201 HydrophobicContact CB-CB 3.94Å
193	D	94.4	Very high	93.8	Very high	126 Å²	126	64 Å²	64	67%	0.674	36%	0.361	S	S	*	.	H	α-helix	trans	-72.5	-27.4	177.1	-84.6	-6.2	0	0	0	112.7	Y189 E190	Y189-D193 WeakPolarHBondContact CD2-OD2 3.34Å; Y189-D193 WeakPolarHBondContact CE2-OD2 3.16Å; Y189-D193 PolarHBondContact O-N 2.89Å; Y189-D193 VanDerWaalsContact O-N 3.08Å; E190-D193 PolarHBondContact O-N 3.22Å
194	Q	93.3	Very high	93.5	Very high	141 Å²	141	65.1 Å²	65.1	66%	0.659	37%	0.37	S	S	*	.	H	α-helix	trans	-85.3	-22	179.9	-67	-179.1	28.5	0	0	112.9	E190 D191 A192 S196	E190-Q194 WeakPolarHBondContact O-CG 3.26Å; E190-Q194 PolarHBondContact O-N 3.08Å; D191-Q194 PolarHBondContact O-N 3.22Å; A192-Q194 VanDerWaalsContact C-N 3.34Å; Q194-S196 PolarHBondContact O-N 3.04Å
195	D	94.4	Very high	93.2	Very high	41 Å²	41	69.3 Å²	69.3	22%	0.219	39%	0.392	C	S	.	.			trans	-90.7	102.2	-178	178.1	24.7	0	0	0	113.2	D191 T197 G198 E199 A200	D191-D195 WeakPolarHBondContact O-CB 3.39Å; D191-D195 PolarHBondContact O-N 2.7Å; D191-D195 VanDerWaalsContact O-N 3.09Å; D195-T197 PolarHBondContact O-N 2.81Å; D195-T197 VanDerWaalsContact O-N 3.15Å; D195-T197 WeakPolarHBondContact OD1-CB 3.32Å; D195-T197 WeakPolarHBondContact OD1-CG2 3.41Å; D195-T197 PolarHBondContact OD1-N 2.89Å; D195-T197 PolarHBondContact OD1-OG1 2.87Å; D195-T197 PolarHBondContact OD2-OG1 2.82Å; D195-G198 PolarHBondContact O-N 2.81Å; D195-G198 PolarHBondContact OD2-N 3.12Å; D195-E199 PolarHBondContact OD2-N 2.93Å; D195-A200 HydrophobicContact CB-CB 3.62Å; D195-A200 WeakPolarHBondContact OD2-CB 3.25Å; D195-A200 PolarHBondContact OD2-N 2.62Å
196	S	93.5	Very high	93.1	Very high	126 Å²	126	69.4 Å²	69.4	88%	0.881	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.7	174.4	62.1	0	0	0	0	115.3	Q194	Q194-S196 PolarHBondContact O-N 3.04Å
197	T	94	Very high	93.1	Very high	81 Å²	81	71.4 Å²	71.4	50%	0.497	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-19.5	179.5	74.1	0	0	0	0	112.8	D195 E199	D195-T197 PolarHBondContact O-N 2.81Å; D195-T197 VanDerWaalsContact O-N 3.15Å; D195-T197 WeakPolarHBondContact OD1-CB 3.32Å; D195-T197 WeakPolarHBondContact OD1-CG2 3.41Å; D195-T197 PolarHBondContact OD1-N 2.89Å; D195-T197 PolarHBondContact OD1-OG1 2.87Å; D195-T197 PolarHBondContact OD2-OG1 2.82Å; T197-E199 PolarHBondContact O-N 2.88Å; T197-E199 WeakPolarHBondContact OG1-CB 3.42Å; T197-E199 WeakPolarHBondContact OG1-CG 3.2Å; T197-E199 PolarHBondContact OG1-N 2.77Å
198	G	92	Very high	93.1	Very high	24 Å²	24	70.1 Å²	70.1	25%	0.247	40%	0.397	C	S	.	.	S	Bend	trans	66.8	17.7	-174.2	0	0	0	0	0	113.7	D195 R202	D195-G198 PolarHBondContact O-N 2.81Å; D195-G198 PolarHBondContact OD2-N 3.12Å; G198-R202 PolarHBondContact O-NE 2.76Å
199	E	92.5	Very high	93.2	Very high	134 Å²	134	67.6 Å²	67.6	63%	0.626	38%	0.383	S	S	*	.	H	α-helix	trans	-74.9	-41.7	171.8	-71.4	-176.6	175.6	0	0	110.4	D195 T197 A201 R202 G203	D195-E199 PolarHBondContact OD2-N 2.93Å; T197-E199 PolarHBondContact O-N 2.88Å; T197-E199 WeakPolarHBondContact OG1-CB 3.42Å; T197-E199 WeakPolarHBondContact OG1-CG 3.2Å; T197-E199 PolarHBondContact OG1-N 2.77Å; E199-A201 VanDerWaalsContact C-N 3.3Å; E199-A201 PolarHBondContact O-N 2.64Å; E199-R202 PolarHBondContact O-N 3.26Å; E199-G203 PolarHBondContact O-N 2.86Å
200	A	92.2	Very high	93.2	Very high	32 Å²	32	66 Å²	66	26%	0.264	38%	0.377	S	S	.	.	H	α-helix	trans	-60.8	-39.2	176.2	0	0	0	0	0	112	D191 D195 R202 G203 A204	D191-A200 HydrophobicContact CB-CB 4.34Å; D195-A200 HydrophobicContact CB-CB 3.62Å; D195-A200 WeakPolarHBondContact OD2-CB 3.25Å; D195-A200 PolarHBondContact OD2-N 2.62Å; A200-R202 VanDerWaalsContact C-N 3.3Å; A200-R202 PolarHBondContact O-N 3.16Å; A200-G203 PolarHBondContact O-N 2.89Å; A200-A204 WeakPolarHBondContact O-CB 3.32Å; A200-A204 PolarHBondContact O-N 2.81Å
201	A	90.5	Very high	93.3	Very high	57 Å²	57	62.7 Å²	62.7	47%	0.471	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-32.8	175.3	0	0	0	0	0	113	A192 E199	A192-A201 HydrophobicContact CB-CB 3.94Å; E199-A201 VanDerWaalsContact C-N 3.3Å; E199-A201 PolarHBondContact O-N 2.64Å
202	R	89.2	Confident	93.5	Very high	190 Å²	190	58.9 Å²	58.9	72%	0.717	34%	0.34	S	S	*	.	H	α-helix	trans	-80.1	-29.4	178.2	-77.8	-179.8	-82.9	165	-3.7	112.9	G198 E199 A200	G198-R202 PolarHBondContact O-NE 2.76Å; E199-R202 PolarHBondContact O-N 3.26Å; A200-R202 VanDerWaalsContact C-N 3.3Å; A200-R202 PolarHBondContact O-N 3.16Å
203	G	88.3	Confident	93.6	Very high	54 Å²	54	57.7 Å²	57.7	56%	0.557	33%	0.33	S	S	*	.	S	Bend	trans	-93	3.3	175.8	0	0	0	0	0	114.6	E199 A200 N205	E199-G203 PolarHBondContact O-N 2.86Å; A200-G203 PolarHBondContact O-N 2.89Å; G203-N205 PolarHBondContact O-N 3.24Å
204	A	89.9	Confident	93.7	Very high	23 Å²	23	53.6 Å²	53.6	19%	0.19	31%	0.308	C	S	.	.			trans	-74.3	109.1	179.9	0	0	0	0	0	110.2	A200	A200-A204 WeakPolarHBondContact O-CB 3.32Å; A200-A204 PolarHBondContact O-N 2.81Å
205	N	92.1	Very high	93.6	Very high	88 Å²	88	50 Å²	50	47%	0.471	29%	0.293	S	S	.	.			trans	-89.7	149.7	176.8	-63.9	-14.3	0	0	0	110.9	G203	G203-N205 PolarHBondContact O-N 3.24Å
206	Q	95.1	Very high	93.4	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.009	32%	0.317	C	S	.	.			trans	-68.8	149.7	166.7	-71.9	-174.9	-14.3	0	0	110.9	I185 E186 P227 L228 A232	I185-Q206 HydrophobicContact CG2-CB 4.26Å; I185-Q206 HydrophobicContact CG2-CG 4.26Å; I185-Q206 VanDerWaalsContact CG2-OE1 3.3Å; E186-Q206 CarbonylContact O-C 3.59Å; E186-Q206 WeakPolarHBondContact O-CA 3.25Å; Q206-P227 CarbonylContact O-C 3.57Å; Q206-P227 WeakPolarHBondContact O-CA 3.25Å; Q206-L228 HydrophobicContact CB-CB 4.4Å; Q206-L228 HydrophobicContact CB-CD1 4.2Å; Q206-L228 PolarHBondContact O-N 3.39Å; Q206-A232 PolarHBondContact NE2-O 3.37Å; Q206-A232 PolarHBondContact OE1-O 2.85Å
207	L	95.6	Very high	93.4	Very high	43 Å²	43	51 Å²	51	23%	0.225	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130	177.7	-58.8	173.8	0	0	0	108.7	E186 E226 P227	E186-L207 HydrophobicContact CB-CB 4.45Å; E186-L207 PolarHBondContact N-O 3.48Å; E186-L207 PolarHBondContact O-N 3.13Å; L207-E226 CarbonylContact C-O 3.51Å; L207-E226 WeakPolarHBondContact CA-O 3.26Å; L207-P227 HydrophobicContact CD2-CB 4.16Å
208	L	95.9	Very high	93.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	113	163.3	176.4	67.8	0	0	0	109.1	A183 Y210 S225 E226 L228 L235 I248 I250 K259	A183-L208 HydrophobicContact CB-CD1 4.29Å; L208-Y210 HydrophobicContact CD2-CE2 3.65Å; L208-Y210 HydrophobicContact CG-CD2 4.45Å; L208-Y210 HydrophobicContact CG-CE2 3.87Å; L208-S225 VanDerWaalsContact O-CA 3.3Å; L208-S225 WeakPolarHBondContact O-CA 3.45Å; L208-E226 PolarHBondContact N-O 2.74Å; L208-E226 PolarHBondContact O-N 2.84Å; L208-L228 HydrophobicContact CB-CD2 3.89Å; L208-L228 HydrophobicContact CB-CG 4.22Å; L208-L235 HydrophobicContact CD1-CD1 4.23Å; L208-I248 HydrophobicContact CD1-CD1 3.43Å; L208-I248 VanDerWaalsContact CD1-CD1 3.43Å; L208-I248 HydrophobicContact CD2-CD1 3.67Å; L208-I248 HydrophobicContact CG-CD1 4.13Å; L208-I250 HydrophobicContact CD2-CD1 3.87Å; L208-K259 HydrophobicContact CD2-CB 4.43Å; L208-K259 HydrophobicContact CD2-CD 3.75Å; L208-K259 HydrophobicContact CD2-CG 4.02Å
209	T	96.2	Very high	93.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.1	-177.8	-61.4	0	0	0	0	110.9	A183 C184 E186 Y211 R222 Y224	A183-T209 WeakPolarHBondContact CA-O 3.39Å; C184-T209 PolarHBondContact N-O 3.47Å; C184-T209 PolarHBondContact O-N 3.4Å; E186-T209 WeakPolarHBondContact OE2-CB 3.35Å; E186-T209 PolarHBondContact OE2-OG1 2.9Å; T209-Y211 HydrophobicContact CG2-CD2 3.93Å; T209-Y211 HydrophobicContact CG2-CE2 3.49Å; T209-Y211 VanDerWaalsContact CG2-CE2 3.49Å; T209-R222 HydrophobicContact CG2-CG 3.5Å; T209-R222 VanDerWaalsContact CG2-CG 3.5Å; T209-R222 VanDerWaalsContact CG2-NE 3.28Å; T209-R222 PolarHBondContact OG1-NH2 2.99Å; T209-Y224 WeakPolarHBondContact CA-O 3.24Å
210	Y	96.4	Very high	93.6	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.3	173	-65.6	-92.2	0	0	0	111.4	V173 L181 F182 A183 L208 K223 Y224 I248	V173-Y210 HydrophobicContact CG2-CD1 4.17Å; V173-Y210 HydrophobicContact CG2-CE1 4.04Å; L181-Y210 HydrophobicContact CD2-CD1 3.63Å; L181-Y210 HydrophobicContact CD2-CE1 4.28Å; L181-Y210 HydrophobicContact CD2-CG 4.4Å; L181-Y210 HydrophobicContact CG-CD1 4.07Å; F182-Y210 CarbonylContact O-C 3.57Å; F182-Y210 WeakPolarHBondContact O-CA 3.37Å; A183-Y210 HydrophobicContact CB-CD1 3.96Å; A183-Y210 HydrophobicContact CB-CE1 3.9Å; L208-Y210 HydrophobicContact CD2-CE2 3.65Å; L208-Y210 HydrophobicContact CG-CD2 4.45Å; L208-Y210 HydrophobicContact CG-CE2 3.87Å; Y210-K223 PolarHBondContact O-N 2.77Å; Y210-Y224 PolarHBondContact N-O 2.84Å; Y210-Y224 PolarHBondContact O-N 3.02Å; Y210-I248 HydrophobicContact CE1-CD1 4.43Å
211	Y	96.9	Very high	93.8	Very high	8 Å²	8	49.6 Å²	49.6	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	114.3	176.1	-72.9	-82.1	0	0	0	110.1	M131 K139 A160 L181 F182 C184 E186 T209 V220 V221 R222	M131-Y211 HydrophobicContact CE-CD2 4.42Å; M131-Y211 HydrophobicContact CE-CG 4.14Å; K139-Y211 HydrophobicContact CD-CE2 4.03Å; K139-Y211 PolarHBondContact NZ-OH 2.67Å; A160-Y211 HydrophobicContact CB-CD1 4.13Å; A160-Y211 HydrophobicContact CB-CE1 4.11Å; L181-Y211 CarbonylContact C-O 3.54Å; L181-Y211 WeakPolarHBondContact CA-O 3.49Å; F182-Y211 PolarHBondContact N-O 3.13Å; F182-Y211 PolarHBondContact O-N 2.8Å; C184-Y211 HydrophobicContact CB-CE2 4.41Å; E186-Y211 PolarHBondContact OE1-OH 3.27Å; E186-Y211 VanDerWaalsContact OE1-OH 3.07Å; T209-Y211 HydrophobicContact CG2-CD2 3.93Å; T209-Y211 HydrophobicContact CG2-CE2 3.49Å; T209-Y211 VanDerWaalsContact CG2-CE2 3.49Å; Y211-V220 HydrophobicContact CD1-CG1 4.01Å; Y211-V220 HydrophobicContact CG-CG1 4.41Å; Y211-V221 CarbonylContact C-O 3.52Å; Y211-V221 WeakPolarHBondContact CA-O 3.35Å; Y211-R222 HydrophobicContact CD1-CB 4.1Å; Y211-R222 HydrophobicContact CD1-CG 4.44Å; Y211-R222 HydrophobicContact CE1-CB 3.86Å; Y211-R222 HydrophobicContact CE1-CG 4.02Å
212	E	96.7	Very high	94	Very high	38 Å²	38	51.9 Å²	51.9	18%	0.178	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.8	176.9	-176.7	174.5	-148.2	0	0	109.9	N179 L181 V220 V221 K223	N179-E212 HydrophobicContact CB-CG 3.83Å; N179-E212 WeakPolarHBondContact CB-OE1 3.41Å; L181-E212 HydrophobicContact CD1-CB 3.73Å; L181-E212 HydrophobicContact CD1-CG 4.38Å; E212-V220 CarbonylContact O-C 3.57Å; E212-V220 WeakPolarHBondContact O-CA 3.28Å; E212-V221 PolarHBondContact N-O 3.42Å; E212-V221 PolarHBondContact O-N 2.87Å; E212-K223 HydrophobicContact CB-CB 4.25Å; E212-K223 HydrophobicContact CB-CD 4.18Å; E212-K223 IonicContact OE1-NZ 3.31Å; E212-K223 PolarHBondContact OE1-NZ 2.78Å; E212-K223 WeakPolarHBondContact OE2-CD 3.49Å; E212-K223 VanDerWaalsContact OE2-CE 3.25Å; E212-K223 WeakPolarHBondContact OE2-CE 3.08Å; E212-K223 IonicContact OE2-NZ 3.59Å; E212-K223 PolarHBondContact OE2-NZ 3.25Å
213	L	96.5	Very high	94.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	105.7	168.2	171.4	64.3	0	0	0	108.7	A129 V141 I143 L158 N179 P180 L215 V220	A129-L213 HydrophobicContact CB-CD2 3.46Å; A129-L213 VanDerWaalsContact CB-CD2 3.46Å; V141-L213 HydrophobicContact CG1-CD1 4.35Å; V141-L213 HydrophobicContact CG1-CD2 3.92Å; I143-L213 HydrophobicContact CD1-CD1 4.31Å; I143-L213 HydrophobicContact CD1-CD2 4.33Å; I143-L213 HydrophobicContact CG1-CD2 3.98Å; L158-L213 HydrophobicContact CD1-CD1 3.41Å; L158-L213 VanDerWaalsContact CD1-CD1 3.41Å; N179-L213 VanDerWaalsContact CB-O 3.3Å; N179-L213 WeakPolarHBondContact CB-O 3.45Å; P180-L213 HydrophobicContact CB-CB 4.26Å; P180-L213 HydrophobicContact CB-CD2 4.32Å; P180-L213 HydrophobicContact CG-CD2 4.2Å; P180-L213 PolarHBondContact O-N 3.12Å; L213-L215 HydrophobicContact CD2-CD2 3.74Å; L213-L215 HydrophobicContact CG-CD2 4.06Å; L213-L215 PolarHBondContact O-N 2.93Å; L213-V220 HydrophobicContact CD1-CG2 3.99Å
214	D	95.7	Very high	94.3	Very high	40 Å²	40	48.3 Å²	48.3	21%	0.214	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	106	169.7	-170.8	-37.3	0	0	0	108.9	G216 L217 N218 H219	D214-G216 PolarHBondContact O-N 3.34Å; D214-G216 WeakPolarHBondContact OD1-CA 3.13Å; D214-G216 PolarHBondContact OD1-N 2.69Å; D214-L217 HydrophobicContact CB-CB 4.11Å; D214-L217 PolarHBondContact OD1-N 2.73Å; D214-L217 WeakPolarHBondContact OD2-CD1 3.19Å; D214-N218 WeakPolarHBondContact O-CA 3.38Å; D214-N218 PolarHBondContact O-N 2.85Å; D214-H219 PolarHBondContact N-O 3.17Å; D214-H219 VanDerWaalsContact N-O 3.11Å
215	L	91.4	Very high	94.5	Very high	64 Å²	64	49.2 Å²	49.2	34%	0.335	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-26.2	-179.3	-69	173.3	0	0	0	112.5	I143 N179 P180 L213	I143-L215 HydrophobicContact CD1-CD2 4.05Å; I143-L215 HydrophobicContact CG2-CD2 4.16Å; N179-L215 PolarHBondContact OD1-N 3.07Å; P180-L215 HydrophobicContact CG-CD1 4.2Å; P180-L215 HydrophobicContact CG-CD2 4.47Å; P180-L215 HydrophobicContact CG-CG 4.39Å; L213-L215 HydrophobicContact CD2-CD2 3.74Å; L213-L215 HydrophobicContact CG-CD2 4.06Å; L213-L215 PolarHBondContact O-N 2.93Å
216	G	91.1	Very high	94.5	Very high	71 Å²	71	48.6 Å²	48.6	73%	0.732	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-41.8	179.1	0	0	0	0	0	112.4	D214	D214-G216 PolarHBondContact O-N 3.34Å; D214-G216 WeakPolarHBondContact OD1-CA 3.13Å; D214-G216 PolarHBondContact OD1-N 2.69Å
217	L	92.9	Very high	94.4	Very high	118 Å²	118	52.4 Å²	52.4	62%	0.618	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-10.4	178.4	-65.6	178.7	0	0	0	113.4	D214 H219	D214-L217 HydrophobicContact CB-CB 4.11Å; D214-L217 PolarHBondContact OD1-N 2.73Å; D214-L217 WeakPolarHBondContact OD2-CD1 3.19Å; L217-H219 VanDerWaalsContact C-N 3.3Å; L217-H219 VanDerWaalsContact CB-CE1 3.47Å; L217-H219 WeakPolarHBondContact CB-CE1 3.49Å; L217-H219 WeakPolarHBondContact CB-ND1 3.38Å; L217-H219 VanDerWaalsContact CD1-CE1 3.46Å; L217-H219 WeakPolarHBondContact CD1-CE1 3.5Å; L217-H219 PolarHBondContact O-N 2.78Å
218	N	93	Very high	94.3	Very high	86 Å²	86	51.2 Å²	51.2	46%	0.46	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	44.4	179.3	-163.7	37.4	0	0	0	113	I143 L158 D214	I143-N218 VanDerWaalsContact CD1-OD1 3.25Å; I143-N218 WeakPolarHBondContact CD1-OD1 3.42Å; L158-N218 VanDerWaalsContact CD2-O 3.28Å; L158-N218 WeakPolarHBondContact CD2-O 3.38Å; D214-N218 WeakPolarHBondContact O-CA 3.38Å; D214-N218 PolarHBondContact O-N 2.85Å
219	H	94.3	Very high	93.9	Very high	77 Å²	77	58.1 Å²	58.1	36%	0.356	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	157.2	176.9	77.5	-51.3	0	0	0	110.4	D214 L217 V221	D214-H219 PolarHBondContact N-O 3.17Å; D214-H219 VanDerWaalsContact N-O 3.11Å; L217-H219 VanDerWaalsContact C-N 3.3Å; L217-H219 VanDerWaalsContact CB-CE1 3.47Å; L217-H219 WeakPolarHBondContact CB-CE1 3.49Å; L217-H219 WeakPolarHBondContact CB-ND1 3.38Å; L217-H219 VanDerWaalsContact CD1-CE1 3.46Å; L217-H219 WeakPolarHBondContact CD1-CE1 3.5Å; L217-H219 PolarHBondContact O-N 2.78Å; H219-V221 WeakPolarHBondContact NE2-CG2 3.37Å
220	V	96.3	Very high	93.5	Very high	23 Å²	23	62.2 Å²	62.2	14%	0.139	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.1	-179.6	-175.4	0	0	0	0	109	V141 L158 A160 Y211 E212 L213	V141-V220 HydrophobicContact CB-CG2 3.83Å; V141-V220 HydrophobicContact CG1-CG2 4.35Å; V141-V220 HydrophobicContact CG2-CG1 4.39Å; V141-V220 HydrophobicContact CG2-CG2 3.67Å; L158-V220 HydrophobicContact CB-CG2 3.89Å; L158-V220 HydrophobicContact CD1-CG2 4.24Å; A160-V220 HydrophobicContact CB-CB 4.22Å; A160-V220 HydrophobicContact CB-CG1 3.9Å; Y211-V220 HydrophobicContact CD1-CG1 4.01Å; Y211-V220 HydrophobicContact CG-CG1 4.41Å; E212-V220 CarbonylContact O-C 3.57Å; E212-V220 WeakPolarHBondContact O-CA 3.28Å; L213-V220 HydrophobicContact CD1-CG2 3.99Å
221	V	95.8	Very high	93.3	Very high	55 Å²	55	66.7 Å²	66.7	33%	0.333	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.5	179.6	-178.3	0	0	0	0	109.5	Y211 E212 H219 K223	Y211-V221 CarbonylContact C-O 3.52Å; Y211-V221 WeakPolarHBondContact CA-O 3.35Å; E212-V221 PolarHBondContact N-O 3.42Å; E212-V221 PolarHBondContact O-N 2.87Å; H219-V221 WeakPolarHBondContact NE2-CG2 3.37Å; V221-K223 PolarHBondContact O-N 2.82Å; V221-K223 VanDerWaalsContact O-N 3.15Å
222	R	94.8	Very high	93.2	Very high	105 Å²	105	66.4 Å²	66.4	40%	0.396	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	94.9	167.3	-171.8	178	-176.4	-98.1	5.6	108.5	E186 T209 Y211 S225	E186-R222 IonicContact OE2-NH2 2.7Å; T209-R222 HydrophobicContact CG2-CG 3.5Å; T209-R222 VanDerWaalsContact CG2-CG 3.5Å; T209-R222 VanDerWaalsContact CG2-NE 3.28Å; T209-R222 PolarHBondContact OG1-NH2 2.99Å; Y211-R222 HydrophobicContact CD1-CB 4.1Å; Y211-R222 HydrophobicContact CD1-CG 4.44Å; Y211-R222 HydrophobicContact CE1-CB 3.86Å; Y211-R222 HydrophobicContact CE1-CG 4.02Å; R222-S225 VanDerWaalsContact NH1-CB 3.34Å; R222-S225 PolarHBondContact NH2-OG 2.92Å
223	K	92.4	Very high	93.2	Very high	83 Å²	83	67 Å²	67	36%	0.361	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-50.7	-167.6	-168.5	-179	-166.9	152.1	0	112.7	Y210 E212 V221	Y210-K223 PolarHBondContact O-N 2.77Å; E212-K223 HydrophobicContact CB-CB 4.25Å; E212-K223 HydrophobicContact CB-CD 4.18Å; E212-K223 IonicContact OE1-NZ 3.31Å; E212-K223 PolarHBondContact OE1-NZ 2.78Å; E212-K223 WeakPolarHBondContact OE2-CD 3.49Å; E212-K223 VanDerWaalsContact OE2-CE 3.25Å; E212-K223 WeakPolarHBondContact OE2-CE 3.08Å; E212-K223 IonicContact OE2-NZ 3.59Å; E212-K223 PolarHBondContact OE2-NZ 3.25Å; V221-K223 PolarHBondContact O-N 2.82Å; V221-K223 VanDerWaalsContact O-N 3.15Å
224	Y	91.3	Very high	93.1	Very high	87 Å²	87	68.1 Å²	68.1	34%	0.341	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.4	-178.8	-58.2	-71.7	0	0	0	110.1	T209 Y210 F261	T209-Y224 WeakPolarHBondContact CA-O 3.24Å; Y210-Y224 PolarHBondContact N-O 2.84Å; Y210-Y224 PolarHBondContact O-N 3.02Å; Y224-F261 HydrophobicContact CD2-CB 4.05Å; Y224-F261 HydrophobicContact CE2-CB 3.81Å; Y224-F261 HydrophobicContact CE2-CG 4.23Å
225	S	93.4	Very high	93.2	Very high	42 Å²	42	66.4 Å²	66.4	29%	0.294	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	120.8	171.5	176.6	0	0	0	0	109.3	L208 R222	L208-S225 VanDerWaalsContact O-CA 3.3Å; L208-S225 WeakPolarHBondContact O-CA 3.45Å; R222-S225 VanDerWaalsContact NH1-CB 3.34Å; R222-S225 PolarHBondContact NH2-OG 2.92Å
226	E	92.3	Very high	93.4	Very high	75 Å²	75	63.7 Å²	63.7	35%	0.35	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140	-174.6	-64.5	-175.9	-170.3	0	0	110.2	L207 L208 K259	L207-E226 CarbonylContact C-O 3.51Å; L207-E226 WeakPolarHBondContact CA-O 3.26Å; L208-E226 PolarHBondContact N-O 2.74Å; L208-E226 PolarHBondContact O-N 2.84Å; E226-K259 WeakPolarHBondContact OE2-CE 3.29Å; E226-K259 IonicContact OE2-NZ 2.76Å; E226-K259 PolarHBondContact OE2-NZ 2.78Å
227	P	93.7	Very high	93.6	Very high	82 Å²	82	61.6 Å²	61.6	53%	0.532	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	143.8	174.9	30	-33.9	0	0	0	111.1	Q206 L207	Q206-P227 CarbonylContact O-C 3.57Å; Q206-P227 WeakPolarHBondContact O-CA 3.25Å; L207-P227 HydrophobicContact CD2-CB 4.16Å
228	L	92.8	Very high	93.8	Very high	17 Å²	17	56 Å²	56	9%	0.089	28%	0.279	C	S	.	.			trans	-92.4	146.4	169.1	-62.1	179.7	0	0	0	109.6	I185 Q206 L208 A232 I250	I185-L228 HydrophobicContact CG2-CD1 4.5Å; Q206-L228 HydrophobicContact CB-CB 4.4Å; Q206-L228 HydrophobicContact CB-CD1 4.2Å; Q206-L228 PolarHBondContact O-N 3.39Å; L208-L228 HydrophobicContact CB-CD2 3.89Å; L208-L228 HydrophobicContact CB-CG 4.22Å; L228-A232 HydrophobicContact CD1-CB 3.94Å; L228-I250 HydrophobicContact CD1-CG2 4.23Å; L228-I250 HydrophobicContact CD2-CD1 3.69Å
229	E	87.5	Confident	93.8	Very high	146 Å²	146	52.6 Å²	52.6	68%	0.682	26%	0.262	S	S	*	.	S	Bend	trans	-70.1	-40.8	176.4	-63.1	-177.6	161.9	0	0	111.5	R268	E229-R268 IonicContact OE2-CZ 3.06Å; E229-R268 IonicContact OE2-NH1 2.94Å; E229-R268 PolarHBondContact OE2-NH1 3.48Å
230	E	88.7	Confident	93.6	Very high	86 Å²	86	48.9 Å²	48.9	40%	0.402	25%	0.245	S	C	.	.	S	Bend	trans	-123	160.2	-178	-59.8	-62.4	167.9	0	0	111	A232 R268	E230-A232 PolarHBondContact O-N 3.49Å; E230-R268 IonicContact OE1-NH2 2.72Å
231	H	92.5	Very high	93	Very high	97 Å²	97	50 Å²	50	45%	0.449	26%	0.26	S	S	.	.			trans	-74.2	114.3	174.9	-66.6	178.3	0	0	0	110.8	S252	H231-S252 WeakPolarHBondContact O-CB 3.45Å
232	A	94.4	Very high	92.5	Very high	3 Å²	3	55.9 Å²	55.9	3%	0.025	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	146.5	174.8	0	0	0	0	0	111.9	I185 Q206 L228 E230 I250 C251	I185-A232 HydrophobicContact CD1-CB 3.63Å; I185-A232 HydrophobicContact CG1-CB 4.4Å; Q206-A232 PolarHBondContact NE2-O 3.37Å; Q206-A232 PolarHBondContact OE1-O 2.85Å; L228-A232 HydrophobicContact CD1-CB 3.94Å; E230-A232 PolarHBondContact O-N 3.49Å; A232-I250 HydrophobicContact CB-CG2 3.39Å; A232-C251 CarbonylContact C-O 3.6Å; A232-C251 VanDerWaalsContact CA-O 3.23Å; A232-C251 WeakPolarHBondContact CA-O 3.07Å; A232-C251 WeakPolarHBondContact CB-O 3.11Å
233	N	95.7	Very high	92	Very high	51 Å²	51	55.1 Å²	55.1	27%	0.273	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-41.2	178.5	67.4	-31.2	0	0	0	112.9	C251 F287	N233-C251 PolarHBondContact N-O 3.48Å; N233-C251 PolarHBondContact OD1-O 2.97Å; N233-F287 PolarHBondContact ND2-O 2.89Å
234	F	96.1	Very high	91.8	Very high	22 Å²	22	52.2 Å²	52.2	10%	0.096	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	171.5	174.5	79.4	-74.7	0	0	0	113.7	H169 I236 C251 F287	H169-F234 HydrophobicContact CB-CB 4.25Å; F234-I236 HydrophobicContact CD2-CG1 4.35Å; F234-I236 HydrophobicContact CE2-CD1 4.14Å; F234-I236 HydrophobicContact CE2-CG1 3.7Å; F234-I236 HydrophobicContact CZ-CD1 4.42Å; F234-I236 HydrophobicContact CZ-CG1 4.42Å; F234-C251 HydrophobicContact CD1-CB 3.87Å; F234-C251 HydrophobicContact CE1-CB 3.59Å; F234-C251 HydrophobicContact CZ-CB 4.12Å; F234-C251 PolarHBondContact O-N 2.7Å; F234-F287 HydrophobicContact CE1-CB 3.66Å; F234-F287 VanDerWaalsContact CE1-O 3.29Å; F234-F287 WeakPolarHBondContact CE1-O 3.49Å; F234-F287 HydrophobicContact CZ-CB 3.99Å
235	L	96.9	Very high	91.9	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147	-176	-57.5	177.2	0	0	0	111.2	H169 V171 A183 I185 L208 I248 L249 I250	H169-L235 PolarHBondContact CE1-O 3.38Å; H169-L235 PolarHBondContact ND1-N 3.35Å; H169-L235 VanDerWaalsContact ND1-N 3.13Å; V171-L235 HydrophobicContact CB-CB 4.19Å; V171-L235 HydrophobicContact CG1-CB 3.72Å; V171-L235 HydrophobicContact CG1-CD1 3.93Å; A183-L235 HydrophobicContact CB-CD1 4.07Å; I185-L235 HydrophobicContact CD1-CD1 4.48Å; I185-L235 HydrophobicContact CD1-CD2 3.69Å; I185-L235 HydrophobicContact CD1-CG 3.76Å; I185-L235 HydrophobicContact CG1-CD1 3.98Å; I185-L235 HydrophobicContact CG1-CD2 3.72Å; I185-L235 HydrophobicContact CG1-CG 3.78Å; L208-L235 HydrophobicContact CD1-CD1 4.23Å; L235-I248 HydrophobicContact CD1-CD1 4.28Å; L235-I248 HydrophobicContact CD2-CD1 4.13Å; L235-L249 CarbonylContact C-O 3.46Å; L235-L249 WeakPolarHBondContact CA-O 3.37Å; L235-I250 HydrophobicContact CD2-CB 4.15Å; L235-I250 HydrophobicContact CD2-CG1 3.87Å; L235-I250 HydrophobicContact CD2-CG2 4.04Å
236	I	96.7	Very high	91.8	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.036	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.9	172.4	-48.2	173.9	0	0	0	108.6	F234 I248 L249 S290 F301	F234-I236 HydrophobicContact CD2-CG1 4.35Å; F234-I236 HydrophobicContact CE2-CD1 4.14Å; F234-I236 HydrophobicContact CE2-CG1 3.7Å; F234-I236 HydrophobicContact CZ-CD1 4.42Å; F234-I236 HydrophobicContact CZ-CG1 4.42Å; I236-I248 CarbonylContact O-C 3.53Å; I236-I248 WeakPolarHBondContact O-CA 3.42Å; I236-L249 HydrophobicContact CB-CB 4.14Å; I236-L249 PolarHBondContact N-O 3.49Å; I236-L249 PolarHBondContact O-N 3.26Å; I236-S290 VanDerWaalsContact CD1-CB 3.5Å; I236-F301 HydrophobicContact CG2-CD1 3.66Å; I236-F301 HydrophobicContact CG2-CE1 3.89Å; I236-F301 HydrophobicContact CG2-CG 4.45Å
237	A	95.2	Very high	91.9	Very high	26 Å²	26	43.8 Å²	43.8	22%	0.215	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	127.4	174.2	0	0	0	0	0	110.7	V171 G172	V171-A237 HydrophobicContact CG2-CB 3.73Å; G172-A237 VanDerWaalsContact O-CB 3.32Å; G172-A237 WeakPolarHBondContact O-CB 3.27Å
238	V	95.3	Very high	92	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-86.5	132.2	173.1	179.1	0	0	0	0	109	P245 S246 G247 L249 Y258 F299 F301 L315	V238-P245 HydrophobicContact CG1-CG 4Å; V238-S246 WeakPolarHBondContact CB-O 3.07Å; V238-S246 WeakPolarHBondContact CG1-O 3.27Å; V238-G247 PolarHBondContact N-O 3.02Å; V238-G247 VanDerWaalsContact N-O 3.15Å; V238-L249 HydrophobicContact CG2-CD1 4.27Å; V238-L249 HydrophobicContact CG2-CG 3.95Å; V238-Y258 HydrophobicContact CB-CE2 4.31Å; V238-Y258 HydrophobicContact CG1-CE2 4.35Å; V238-Y258 HydrophobicContact CG2-CD2 4.08Å; V238-Y258 HydrophobicContact CG2-CE2 3.88Å; V238-F299 HydrophobicContact CG1-CE2 4.14Å; V238-F299 HydrophobicContact CG1-CZ 4.34Å; V238-F301 HydrophobicContact CB-CZ 4.32Å; V238-F301 HydrophobicContact CG1-CZ 4.29Å; V238-F301 HydrophobicContact CG2-CE2 4.49Å; V238-F301 HydrophobicContact CG2-CZ 4Å; V238-L315 HydrophobicContact CB-CD1 4.49Å; V238-L315 HydrophobicContact CG1-CD1 3.69Å; V238-L315 HydrophobicContact CG2-CD1 3.92Å
239	P	93.2	Very high	92.2	Very high	14 Å²	14	39 Å²	39	9%	0.091	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-53.9	141.7	174.6	-26.9	36	0	0	0	112	G244 S246 F299	P239-G244 CarbonylContact O-C 3.59Å; P239-G244 VanDerWaalsContact O-CA 3.29Å; P239-G244 WeakPolarHBondContact O-CA 3.33Å; P239-S246 PolarHBondContact O-N 2.83Å; P239-S246 VanDerWaalsContact O-N 3.07Å; P239-F299 HydrophobicContact CB-CD1 4.44Å; P239-F299 HydrophobicContact CB-CG 4.44Å; P239-F299 HydrophobicContact CG-CB 4.03Å; P239-F299 HydrophobicContact CG-CD1 4.4Å; P239-F299 HydrophobicContact CG-CD2 4.09Å; P239-F299 HydrophobicContact CG-CG 3.91Å
240	G	90	Very high	92.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.185	C	C	.	.			trans	-141.3	179.3	-174.1	0	0	0	0	0	114.3	D174 G244	D174-G240 VanDerWaalsContact O-CA 3.32Å; D174-G240 WeakPolarHBondContact O-CA 3.43Å; D174-G240 PolarHBondContact OD2-N 2.86Å; D174-G240 VanDerWaalsContact OD2-N 3.17Å; G240-G244 WeakPolarHBondContact CA-O 3.26Å
241	G	85.4	Confident	93	Very high	45 Å²	45	28.2 Å²	28.2	46%	0.464	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	74.3	-134.2	-167.5	0	0	0	0	0	110.2	E243 G244	G241-E243 PolarHBondContact O-N 2.99Å; G241-E243 VanDerWaalsContact O-N 3.1Å; G241-G244 VanDerWaalsContact O-O 3.1Å
242	N	84.3	Confident	93.2	Very high	180 Å²	180	23.8 Å²	23.8	96%	0.963	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-73.9	-0.6	-178	-58.8	-5.8	0	0	0	114
243	E	84.5	Confident	93.2	Very high	89 Å²	89	28 Å²	28	42%	0.416	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-109.2	-11.6	-169.3	-60.2	172	139.1	0	0	112.7	K126 G241 K294 F299	K126-E243 IonicContact NZ-OE2 3.82Å; K126-E243 PolarHBondContact NZ-OE2 2.75Å; G241-E243 PolarHBondContact O-N 2.99Å; G241-E243 VanDerWaalsContact O-N 3.1Å; E243-K294 WeakPolarHBondContact OE1-CE 3.21Å; E243-K294 IonicContact OE1-NZ 2.94Å; E243-K294 PolarHBondContact OE1-NZ 2.96Å; E243-K294 VanDerWaalsContact OE2-CE 3.31Å; E243-K294 WeakPolarHBondContact OE2-CE 3.41Å; E243-K294 IonicContact OE2-NZ 2.72Å; E243-K294 PolarHBondContact OE2-NZ 2.94Å; E243-F299 WeakPolarHBondContact O-CD1 3.45Å
244	G	88.7	Confident	93.1	Very high	21 Å²	21	27.8 Å²	27.8	22%	0.216	16%	0.164	C	C	.	.	S	Bend	trans	172.1	180	-177.1	0	0	0	0	0	112.7	P239 G240 G241 S246	P239-G244 CarbonylContact O-C 3.59Å; P239-G244 VanDerWaalsContact O-CA 3.29Å; P239-G244 WeakPolarHBondContact O-CA 3.33Å; G240-G244 WeakPolarHBondContact CA-O 3.26Å; G241-G244 VanDerWaalsContact O-O 3.1Å; G244-S246 VanDerWaalsContact C-N 3.26Å; G244-S246 PolarHBondContact O-N 2.84Å
245	P	91.9	Very high	93	Very high	16 Å²	16	29.4 Å²	29.4	10%	0.104	17%	0.17	C	C	.	.			trans	-78.5	-0.5	-170	32.4	-36.7	0	0	0	114.4	V238 N260 F299 V317 V322	V238-P245 HydrophobicContact CG1-CG 4Å; P245-N260 PolarHBondContact O-ND2 2.8Å; P245-N260 VanDerWaalsContact O-ND2 3.14Å; P245-F299 HydrophobicContact CG-CZ 4.47Å; P245-V317 HydrophobicContact CB-CG1 4.4Å; P245-V317 HydrophobicContact CB-CG2 4.27Å; P245-V317 HydrophobicContact CG-CG2 3.92Å; P245-V322 HydrophobicContact CB-CG2 3.88Å; P245-V322 HydrophobicContact CG-CG2 3.6Å
246	S	93	Very high	93	Very high	11 Å²	11	29.2 Å²	29.2	8%	0.077	17%	0.168	C	C	.	.			trans	60.7	-166	-167.7	-160.7	0	0	0	0	112.1	D174 V238 P239 G244 Y258	D174-S246 VanDerWaalsContact O-CB 3.32Å; D174-S246 WeakPolarHBondContact O-CB 3.41Å; D174-S246 PolarHBondContact O-OG 2.78Å; V238-S246 WeakPolarHBondContact CB-O 3.07Å; V238-S246 WeakPolarHBondContact CG1-O 3.27Å; P239-S246 PolarHBondContact O-N 2.83Å; P239-S246 VanDerWaalsContact O-N 3.07Å; G244-S246 VanDerWaalsContact C-N 3.26Å; G244-S246 PolarHBondContact O-N 2.84Å; S246-Y258 WeakPolarHBondContact O-CE2 3.39Å; S246-Y258 PolarHBondContact O-OH 3.13Å
247	G	93.2	Very high	93	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.173	C	C	.	.			trans	88	-164.5	-177.1	0	0	0	0	0	113.7	V238 N260	V238-G247 PolarHBondContact N-O 3.02Å; V238-G247 VanDerWaalsContact N-O 3.15Å; G247-N260 WeakPolarHBondContact CA-OD1 3.36Å
248	I	95.9	Very high	93	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	152.3	-176.3	61.4	175	0	0	0	111.4	V171 V173 A183 L208 Y210 L235 I236 I250 Y258 K259	V171-I248 HydrophobicContact CG1-CG2 4.04Å; V173-I248 HydrophobicContact CG2-CG2 3.95Å; A183-I248 HydrophobicContact CB-CD1 3.96Å; A183-I248 HydrophobicContact CB-CG2 4.18Å; L208-I248 HydrophobicContact CD1-CD1 3.43Å; L208-I248 VanDerWaalsContact CD1-CD1 3.43Å; L208-I248 HydrophobicContact CD2-CD1 3.67Å; L208-I248 HydrophobicContact CG-CD1 4.13Å; Y210-I248 HydrophobicContact CE1-CD1 4.43Å; L235-I248 HydrophobicContact CD1-CD1 4.28Å; L235-I248 HydrophobicContact CD2-CD1 4.13Å; I236-I248 CarbonylContact O-C 3.53Å; I236-I248 WeakPolarHBondContact O-CA 3.42Å; I248-I250 HydrophobicContact CD1-CD1 4.5Å; I248-I250 HydrophobicContact CD1-CG1 4.12Å; I248-I250 HydrophobicContact CG1-CG1 4.26Å; I248-Y258 WeakPolarHBondContact O-CA 3.37Å; I248-Y258 WeakPolarHBondContact O-CD2 3.48Å; I248-K259 HydrophobicContact CG1-CB 4.48Å; I248-K259 WeakPolarHBondContact CG1-O 3.23Å; I248-K259 PolarHBondContact N-O 2.7Å; I248-K259 PolarHBondContact O-N 3.12Å
249	L	96.9	Very high	93	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.7	163.2	-64.8	161.6	0	0	0	109.1	L235 I236 V238 I256 T257 Y258 F301 I313 L315 I325	L235-L249 CarbonylContact C-O 3.46Å; L235-L249 WeakPolarHBondContact CA-O 3.37Å; I236-L249 HydrophobicContact CB-CB 4.14Å; I236-L249 PolarHBondContact N-O 3.49Å; I236-L249 PolarHBondContact O-N 3.26Å; V238-L249 HydrophobicContact CG2-CD1 4.27Å; V238-L249 HydrophobicContact CG2-CG 3.95Å; L249-I256 HydrophobicContact CB-CD1 4.21Å; L249-I256 HydrophobicContact CB-CG1 4.29Å; L249-I256 HydrophobicContact CD1-CD1 4.28Å; L249-I256 HydrophobicContact CD2-CD1 4.17Å; L249-I256 HydrophobicContact CD2-CG1 4.17Å; L249-I256 HydrophobicContact CG-CD1 4.47Å; L249-T257 CarbonylContact C-O 3.53Å; L249-T257 WeakPolarHBondContact CA-O 3.43Å; L249-Y258 HydrophobicContact CD2-CD2 4.11Å; L249-Y258 HydrophobicContact CD2-CG 4.44Å; L249-F301 HydrophobicContact CD1-CD2 3.72Å; L249-F301 HydrophobicContact CD1-CE2 3.75Å; L249-F301 HydrophobicContact CD1-CG 4.25Å; L249-F301 HydrophobicContact CD1-CZ 4.29Å; L249-I313 HydrophobicContact CD1-CG2 4.3Å; L249-L315 HydrophobicContact CD2-CD2 4.11Å; L249-I325 HydrophobicContact CD2-CD1 4.13Å
250	I	97.2	Very high	92.8	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	115.1	-179.8	-50.8	174.5	0	0	0	106.7	L208 L228 A232 L235 I248 I256 T257 K259	L208-I250 HydrophobicContact CD2-CD1 3.87Å; L228-I250 HydrophobicContact CD1-CG2 4.23Å; L228-I250 HydrophobicContact CD2-CD1 3.69Å; A232-I250 HydrophobicContact CB-CG2 3.39Å; L235-I250 HydrophobicContact CD2-CB 4.15Å; L235-I250 HydrophobicContact CD2-CG1 3.87Å; L235-I250 HydrophobicContact CD2-CG2 4.04Å; I248-I250 HydrophobicContact CD1-CD1 4.5Å; I248-I250 HydrophobicContact CD1-CG1 4.12Å; I248-I250 HydrophobicContact CG1-CG1 4.26Å; I250-I256 WeakPolarHBondContact O-CA 3.32Å; I250-T257 PolarHBondContact N-O 3.47Å; I250-T257 PolarHBondContact O-N 3.29Å; I250-K259 HydrophobicContact CD1-CB 3.89Å; I250-K259 HydrophobicContact CD1-CD 4.12Å
251	C	97	Very high	92.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.2	174	-60.9	0	0	0	0	108.2	A232 N233 F234 F287	A232-C251 CarbonylContact C-O 3.6Å; A232-C251 VanDerWaalsContact CA-O 3.23Å; A232-C251 WeakPolarHBondContact CA-O 3.07Å; A232-C251 WeakPolarHBondContact CB-O 3.11Å; N233-C251 PolarHBondContact N-O 3.48Å; N233-C251 PolarHBondContact OD1-O 2.97Å; F234-C251 HydrophobicContact CD1-CB 3.87Å; F234-C251 HydrophobicContact CE1-CB 3.59Å; F234-C251 HydrophobicContact CZ-CB 4.12Å; F234-C251 PolarHBondContact O-N 2.7Å; C251-F287 HydrophobicContact CB-CB 4.26Å; C251-F287 HydrophobicContact CB-CD2 4.23Å
252	S	95.4	Very high	92.5	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.028	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	176.5	176.6	64.4	0	0	0	0	110.6	H231 N254 Y255	H231-S252 WeakPolarHBondContact O-CB 3.45Å; S252-N254 PolarHBondContact O-N 2.76Å; S252-Y255 PolarHBondContact N-O 3.18Å; S252-Y255 PolarHBondContact O-N 2.86Å; S252-Y255 VanDerWaalsContact O-O 3.07Å; S252-Y255 PolarHBondContact OG-O 3.12Å
253	E	93.9	Very high	92.7	Very high	91 Å²	91	32.1 Å²	32.1	43%	0.425	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	124.4	173.5	-166.2	168.2	-176	0	0	110.1	Y255 G284 L286	E253-Y255 WeakPolarHBondContact O-CD2 3.45Å; E253-Y255 PolarHBondContact O-N 2.96Å; E253-G284 WeakPolarHBondContact OE1-CA 3.26Å; E253-L286 VanDerWaalsContact CA-CD2 3.48Å; E253-L286 HydrophobicContact CB-CD2 3.96Å; E253-L286 HydrophobicContact CG-CD2 4.47Å
254	N	94	Very high	93	Very high	47 Å²	47	28.8 Å²	28.8	25%	0.251	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	-1	-179.4	-57.2	-45.6	0	0	0	117.4	S252 P270 I271 G284 I285	S252-N254 PolarHBondContact O-N 2.76Å; N254-P270 CarbonylContact O-C 3.52Å; N254-P270 WeakPolarHBondContact O-CA 3.44Å; N254-I271 PolarHBondContact O-N 3.21Å; N254-G284 WeakPolarHBondContact OD1-CA 3.47Å; N254-I285 PolarHBondContact N-O 2.79Å; N254-I285 PolarHBondContact OD1-N 2.83Å
255	Y	94.9	Very high	93.2	Very high	57 Å²	57	31.5 Å²	31.5	22%	0.224	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	152.5	-173.3	-68.4	-88	0	0	0	113	S252 E253 R268 C269 P270	S252-Y255 PolarHBondContact N-O 3.18Å; S252-Y255 PolarHBondContact O-N 2.86Å; S252-Y255 VanDerWaalsContact O-O 3.07Å; S252-Y255 PolarHBondContact OG-O 3.12Å; E253-Y255 WeakPolarHBondContact O-CD2 3.45Å; E253-Y255 PolarHBondContact O-N 2.96Å; Y255-R268 HydrophobicContact CD1-CG 3.57Å; Y255-R268 HydrophobicContact CE1-CG 4.2Å; Y255-R268 VanDerWaalsContact CE1-NE 3.28Å; Y255-R268 HydrophobicContact CG-CG 4.22Å; Y255-C269 WeakPolarHBondContact CA-O 3.39Å; Y255-P270 HydrophobicContact CD1-CB 4.27Å; Y255-P270 HydrophobicContact CD1-CG 4.19Å; Y255-P270 HydrophobicContact CE1-CB 4.1Å; Y255-P270 HydrophobicContact CE1-CG 3.77Å
256	I	96	Very high	93.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.1	164	-172.6	170.5	0	0	0	109.2	L249 I250 C269 F287 I313 L327	L249-I256 HydrophobicContact CB-CD1 4.21Å; L249-I256 HydrophobicContact CB-CG1 4.29Å; L249-I256 HydrophobicContact CD1-CD1 4.28Å; L249-I256 HydrophobicContact CD2-CD1 4.17Å; L249-I256 HydrophobicContact CD2-CG1 4.17Å; L249-I256 HydrophobicContact CG-CD1 4.47Å; I250-I256 WeakPolarHBondContact O-CA 3.32Å; I256-C269 HydrophobicContact CG2-CB 3.88Å; I256-C269 PolarHBondContact N-O 3.36Å; I256-C269 PolarHBondContact O-N 3.13Å; I256-F287 HydrophobicContact CB-CE2 4.2Å; I256-F287 HydrophobicContact CD1-CE2 4.33Å; I256-I313 HydrophobicContact CD1-CD1 3.56Å; I256-I313 HydrophobicContact CD1-CG1 4.41Å; I256-L327 HydrophobicContact CG2-CD1 3.93Å; I256-L327 HydrophobicContact CG2-CD2 4.22Å
257	T	96.2	Very high	93.3	Very high	21 Å²	21	34.9 Å²	34.9	13%	0.129	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.3	-176.7	-55.7	0	0	0	0	110.4	L249 I250 D266 I267	L249-T257 CarbonylContact C-O 3.53Å; L249-T257 WeakPolarHBondContact CA-O 3.43Å; I250-T257 PolarHBondContact N-O 3.47Å; I250-T257 PolarHBondContact O-N 3.29Å; T257-D266 HydrophobicContact CG2-CB 4.38Å; T257-I267 CarbonylContact C-O 3.58Å; T257-I267 VanDerWaalsContact CA-O 3.25Å; T257-I267 WeakPolarHBondContact CA-O 3.13Å
258	Y	96.5	Very high	93.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	130.5	167.7	176.1	-103.1	0	0	0	109.4	V238 S246 I248 L249 N260 Q264 I267 L315 V322	V238-Y258 HydrophobicContact CB-CE2 4.31Å; V238-Y258 HydrophobicContact CG1-CE2 4.35Å; V238-Y258 HydrophobicContact CG2-CD2 4.08Å; V238-Y258 HydrophobicContact CG2-CE2 3.88Å; S246-Y258 WeakPolarHBondContact O-CE2 3.39Å; S246-Y258 PolarHBondContact O-OH 3.13Å; I248-Y258 WeakPolarHBondContact O-CA 3.37Å; I248-Y258 WeakPolarHBondContact O-CD2 3.48Å; L249-Y258 HydrophobicContact CD2-CD2 4.11Å; L249-Y258 HydrophobicContact CD2-CG 4.44Å; Y258-N260 HydrophobicContact CE1-CB 4.21Å; Y258-N260 PolarHBondContact OH-ND2 3.01Å; Y258-Q264 HydrophobicContact CD1-CG 4.27Å; Y258-Q264 HydrophobicContact CE1-CG 3.71Å; Y258-I267 PolarHBondContact N-O 3.37Å; Y258-I267 PolarHBondContact O-N 2.74Å; Y258-I267 VanDerWaalsContact O-N 3.11Å; Y258-L315 HydrophobicContact CD2-CD1 4.05Å; Y258-L315 HydrophobicContact CE2-CD1 4.16Å; Y258-V322 HydrophobicContact CD1-CB 3.65Å; Y258-V322 HydrophobicContact CD1-CG1 3.98Å; Y258-V322 HydrophobicContact CD1-CG2 3.83Å; Y258-V322 HydrophobicContact CE1-CB 3.46Å; Y258-V322 VanDerWaalsContact CE1-CB 3.46Å; Y258-V322 HydrophobicContact CE1-CG1 4.26Å; Y258-V322 HydrophobicContact CE1-CG2 3.27Å; Y258-V322 HydrophobicContact CE2-CG2 4.04Å; Y258-V322 HydrophobicContact CG-CB 4.44Å; Y258-V322 HydrophobicContact CG-CG1 4.39Å; Y258-V322 HydrophobicContact CG-CG2 4.41Å
259	K	94	Very high	93.2	Very high	9 Å²	9	38.3 Å²	38.3	4%	0.039	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	134.1	179.7	-169.9	149.5	-173.7	148.8	0	110.6	L208 E226 I248 I250 D266	L208-K259 HydrophobicContact CD2-CB 4.43Å; L208-K259 HydrophobicContact CD2-CD 3.75Å; L208-K259 HydrophobicContact CD2-CG 4.02Å; E226-K259 WeakPolarHBondContact OE2-CE 3.29Å; E226-K259 IonicContact OE2-NZ 2.76Å; E226-K259 PolarHBondContact OE2-NZ 2.78Å; I248-K259 HydrophobicContact CG1-CB 4.48Å; I248-K259 WeakPolarHBondContact CG1-O 3.23Å; I248-K259 PolarHBondContact N-O 2.7Å; I248-K259 PolarHBondContact O-N 3.12Å; I250-K259 HydrophobicContact CD1-CB 3.89Å; I250-K259 HydrophobicContact CD1-CD 4.12Å; K259-D266 WeakPolarHBondContact CD-OD1 3.49Å; K259-D266 VanDerWaalsContact CE-OD1 3.27Å; K259-D266 WeakPolarHBondContact CE-OD1 3.02Å; K259-D266 WeakPolarHBondContact CG-OD1 3.43Å; K259-D266 IonicContact NZ-OD1 2.81Å; K259-D266 PolarHBondContact NZ-OD1 2.83Å; K259-D266 IonicContact NZ-OD2 3.84Å; K259-D266 PolarHBondContact NZ-OD2 2.91Å
260	N	90.8	Very high	93.1	Very high	24 Å²	24	39 Å²	39	13%	0.128	21%	0.213	C	C	.	.			trans	-137.1	159.6	172.7	-158.4	4.9	0	0	0	109.5	P245 G247 Y258 Q264	P245-N260 PolarHBondContact O-ND2 2.8Å; P245-N260 VanDerWaalsContact O-ND2 3.14Å; G247-N260 WeakPolarHBondContact CA-OD1 3.36Å; Y258-N260 HydrophobicContact CE1-CB 4.21Å; Y258-N260 PolarHBondContact OH-ND2 3.01Å; N260-Q264 HydrophobicContact CB-CB 4.06Å; N260-Q264 HydrophobicContact CB-CG 3.95Å
261	F	83.8	Confident	93	Very high	70 Å²	70	38.9 Å²	38.9	31%	0.307	21%	0.213	S	C	.	.	S	Bend	trans	-77.5	155.4	175.2	56.5	-91.2	0	0	0	110.6	V175 L181 Y224	V175-F261 HydrophobicContact CG1-CE1 4.22Å; V175-F261 HydrophobicContact CG1-CZ 4.32Å; L181-F261 HydrophobicContact CD2-CD1 3.91Å; L181-F261 HydrophobicContact CD2-CE1 3.69Å; Y224-F261 HydrophobicContact CD2-CB 4.05Å; Y224-F261 HydrophobicContact CE2-CB 3.81Å; Y224-F261 HydrophobicContact CE2-CG 4.23Å
262	G	85.5	Confident	92.9	Very high	63 Å²	63	39 Å²	39	65%	0.649	21%	0.213	S	C	*	.	S	Bend	trans	99.2	-142.6	178.3	0	0	0	0	0	112.3	Q264	G262-Q264 VanDerWaalsContact C-N 3.29Å; G262-Q264 PolarHBondContact O-N 2.73Å
263	D	87.6	Confident	92.8	Very high	147 Å²	147	41.3 Å²	41.3	79%	0.786	22%	0.223	S	C	*	.	S	Bend	trans	-85.9	2.7	-174	-61.6	-34.7	0	0	0	113.5	P265 M321	D263-P265 WeakPolarHBondContact O-CD 3.42Å; D263-M321 HydrophobicContact CB-CE 3.95Å
264	Q	91	Very high	92.8	Very high	19 Å²	19	38 Å²	38	9%	0.089	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-67.9	122.1	178.9	175	66.2	56	0	0	110.3	Y258 N260 G262 V322	Y258-Q264 HydrophobicContact CD1-CG 4.27Å; Y258-Q264 HydrophobicContact CE1-CG 3.71Å; N260-Q264 HydrophobicContact CB-CB 4.06Å; N260-Q264 HydrophobicContact CB-CG 3.95Å; G262-Q264 VanDerWaalsContact C-N 3.29Å; G262-Q264 PolarHBondContact O-N 2.73Å; Q264-V322 PolarHBondContact NE2-O 2.87Å
265	P	91.8	Very high	92.6	Very high	78 Å²	78	42.6 Å²	42.6	51%	0.506	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-70	149	170.7	29.5	-35.1	0	0	0	111.2	D263 I267	D263-P265 WeakPolarHBondContact O-CD 3.42Å; P265-I267 PolarHBondContact O-N 3.22Å
266	D	93.4	Very high	92.2	Very high	83 Å²	83	42.4 Å²	42.4	44%	0.444	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-66	124.2	171.3	-69.2	-9.7	0	0	0	109.2	T257 K259	T257-D266 HydrophobicContact CG2-CB 4.38Å; K259-D266 WeakPolarHBondContact CD-OD1 3.49Å; K259-D266 VanDerWaalsContact CE-OD1 3.27Å; K259-D266 WeakPolarHBondContact CE-OD1 3.02Å; K259-D266 WeakPolarHBondContact CG-OD1 3.43Å; K259-D266 IonicContact NZ-OD1 2.81Å; K259-D266 PolarHBondContact NZ-OD1 2.83Å; K259-D266 IonicContact NZ-OD2 3.84Å; K259-D266 PolarHBondContact NZ-OD2 2.91Å
267	I	94.3	Very high	91.8	Very high	15 Å²	15	44.5 Å²	44.5	8%	0.077	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.7	179.2	-62.8	169.4	0	0	0	108.4	T257 Y258 P265 V322 T323 I325 S375	T257-I267 CarbonylContact C-O 3.58Å; T257-I267 VanDerWaalsContact CA-O 3.25Å; T257-I267 WeakPolarHBondContact CA-O 3.13Å; Y258-I267 PolarHBondContact N-O 3.37Å; Y258-I267 PolarHBondContact O-N 2.74Å; Y258-I267 VanDerWaalsContact O-N 3.11Å; P265-I267 PolarHBondContact O-N 3.22Å; I267-V322 VanDerWaalsContact CD1-C 3.43Å; I267-V322 HydrophobicContact CD1-CB 4.02Å; I267-V322 HydrophobicContact CD1-CG1 3.76Å; I267-V322 WeakPolarHBondContact CD1-O 3.14Å; I267-T323 WeakPolarHBondContact CD1-O 3.1Å; I267-I325 HydrophobicContact CB-CD1 4.37Å; I267-I325 HydrophobicContact CB-CG1 4.39Å; I267-I325 HydrophobicContact CG2-CD1 4Å; I267-I325 HydrophobicContact CG2-CG1 3.74Å; I267-I325 VanDerWaalsContact O-CD1 3.29Å; I267-I325 WeakPolarHBondContact O-CD1 3.48Å; I267-S375 VanDerWaalsContact CG2-OG 3.26Å; I267-S375 WeakPolarHBondContact CG2-OG 3.19Å
268	R	93	Very high	91.6	Very high	72 Å²	72	45 Å²	45	27%	0.272	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133	-175	-174.6	173.6	176.2	-177.6	-0.9	110	E229 E230 Y255 S375	E229-R268 IonicContact OE2-CZ 3.06Å; E229-R268 IonicContact OE2-NH1 2.94Å; E229-R268 PolarHBondContact OE2-NH1 3.48Å; E230-R268 IonicContact OE1-NH2 2.72Å; Y255-R268 HydrophobicContact CD1-CG 3.57Å; Y255-R268 HydrophobicContact CE1-CG 4.2Å; Y255-R268 VanDerWaalsContact CE1-NE 3.28Å; Y255-R268 HydrophobicContact CG-CG 4.22Å; R268-S375 VanDerWaalsContact O-CB 3.28Å; R268-S375 WeakPolarHBondContact O-CB 3.49Å
269	C	94.2	Very high	91.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.2	174.3	-162.2	0	0	0	0	109.9	Y255 I256 I325 L327	Y255-C269 WeakPolarHBondContact CA-O 3.39Å; I256-C269 HydrophobicContact CG2-CB 3.88Å; I256-C269 PolarHBondContact N-O 3.36Å; I256-C269 PolarHBondContact O-N 3.13Å; C269-I325 HydrophobicContact CB-CB 4.2Å; C269-I325 HydrophobicContact CB-CD1 4.48Å; C269-I325 HydrophobicContact CB-CG2 4.47Å; C269-L327 HydrophobicContact CB-CD1 4.03Å
270	P	94.9	Very high	91.1	Very high	16 Å²	16	47.4 Å²	47.4	10%	0.104	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	142.2	169.8	-20.2	30.5	0	0	0	112	N254 Y255 P272 L379 F385	N254-P270 CarbonylContact O-C 3.52Å; N254-P270 WeakPolarHBondContact O-CA 3.44Å; Y255-P270 HydrophobicContact CD1-CB 4.27Å; Y255-P270 HydrophobicContact CD1-CG 4.19Å; Y255-P270 HydrophobicContact CE1-CB 4.1Å; Y255-P270 HydrophobicContact CE1-CG 3.77Å; P270-P272 WeakPolarHBondContact O-CD 3.35Å; P270-L379 HydrophobicContact CG-CD1 3.79Å; P270-F385 HydrophobicContact CB-CD2 4.3Å; P270-F385 HydrophobicContact CG-CE2 4.32Å
271	I	95.2	Very high	90.9	Very high	1 Å²	1	52 Å²	52	1%	0.005	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-73.6	121.8	172.8	-60.8	174.5	0	0	0	108.3	N254 Q273 I285 F287 T305 T384	N254-I271 PolarHBondContact O-N 3.21Å; I271-Q273 PolarHBondContact O-N 2.76Å; I271-I285 HydrophobicContact CG2-CG2 4.24Å; I271-F287 HydrophobicContact CD1-CD2 3.65Å; I271-F287 HydrophobicContact CD1-CE2 3.47Å; I271-F287 VanDerWaalsContact CD1-CE2 3.47Å; I271-F287 HydrophobicContact CD1-CG 4.39Å; I271-F287 HydrophobicContact CD1-CZ 4.08Å; I271-F287 HydrophobicContact CG1-CD2 4.27Å; I271-F287 HydrophobicContact CG1-CE2 3.57Å; I271-F287 HydrophobicContact CG1-CZ 3.94Å; I271-F287 HydrophobicContact CG2-CZ 4.07Å; I271-T305 HydrophobicContact CG2-CG2 4.15Å; I271-T384 PolarHBondContact O-OG1 2.81Å
272	P	94.7	Very high	91.1	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-61	132.6	177.6	-21.6	32.5	0	0	0	111.7	P270 F311 L327 F373 F385 F387	P270-P272 WeakPolarHBondContact O-CD 3.35Å; P272-F311 HydrophobicContact CB-CE1 3.76Å; P272-F311 HydrophobicContact CB-CZ 3.95Å; P272-F311 HydrophobicContact CG-CD1 4.3Å; P272-F311 HydrophobicContact CG-CE1 3.67Å; P272-F311 HydrophobicContact CG-CZ 4.21Å; P272-L327 HydrophobicContact CG-CB 4.47Å; P272-F373 HydrophobicContact CB-CD2 3.9Å; P272-F373 HydrophobicContact CB-CE2 3.81Å; P272-F373 HydrophobicContact CB-CG 4.49Å; P272-F373 HydrophobicContact CB-CZ 4.32Å; P272-F373 HydrophobicContact CG-CB 4.27Å; P272-F373 HydrophobicContact CG-CD2 3.35Å; P272-F373 HydrophobicContact CG-CE2 3.8Å; P272-F373 HydrophobicContact CG-CG 3.87Å; P272-F385 CarbonylContact C-O 3.48Å; P272-F385 WeakPolarHBondContact CA-O 3.19Å; P272-F385 HydrophobicContact CB-CB 3.85Å; P272-F385 HydrophobicContact CG-CB 4Å; P272-F385 HydrophobicContact CG-CD2 4.5Å; P272-F387 HydrophobicContact CB-CD1 3.89Å; P272-F387 WeakPolarHBondContact O-CE1 3.18Å
273	Q	93.5	Very high	91.2	Very high	53 Å²	53	56 Å²	56	25%	0.248	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	156.6	177.6	-59.7	-167.5	-11.4	0	0	111.1	I271 R275 I285 T384 F385 Y386 F387	I271-Q273 PolarHBondContact O-N 2.76Å; Q273-R275 PolarHBondContact O-N 2.87Å; Q273-I285 HydrophobicContact CB-CD1 4.34Å; Q273-I285 HydrophobicContact CG-CD1 3.83Å; Q273-T384 HydrophobicContact CB-CG2 4.23Å; Q273-T384 HydrophobicContact CG-CG2 3.85Å; Q273-F385 PolarHBondContact N-O 2.85Å; Q273-Y386 HydrophobicContact CB-CD1 4.38Å; Q273-Y386 HydrophobicContact CB-CE1 4.42Å; Q273-Y386 VanDerWaalsContact O-CA 3.28Å; Q273-Y386 WeakPolarHBondContact O-CA 3.38Å; Q273-F387 VanDerWaalsContact C-CE1 3.46Å; Q273-F387 WeakPolarHBondContact O-CD1 3.34Å; Q273-F387 PolarHBondContact O-N 2.81Å
274	R	93.6	Very high	91.3	Very high	21 Å²	21	49.5 Å²	49.5	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	132.6	174.7	-70.1	179	178.7	-178.3	0.9	109.7	N276 D277 Q307 D309 F387 P389 F860	R274-N276 PolarHBondContact O-N 3.44Å; R274-D277 HydrophobicContact CB-CB 4.14Å; R274-D277 PolarHBondContact O-N 2.86Å; R274-Q307 VanDerWaalsContact CD-OE1 3.27Å; R274-Q307 PolarHBondContact NH2-O 3.34Å; R274-D309 IonicContact CZ-OD1 3.6Å; R274-D309 IonicContact CZ-OD2 2.93Å; R274-D309 VanDerWaalsContact CZ-OD2 3.31Å; R274-D309 IonicContact NE-OD1 3.83Å; R274-D309 PolarHBondContact NE-OD1 2.79Å; R274-D309 IonicContact NE-OD2 2.67Å; R274-D309 PolarHBondContact NE-OD2 2.98Å; R274-D309 VanDerWaalsContact NH2-CG 3.27Å; R274-D309 IonicContact NH2-OD1 2.93Å; R274-D309 PolarHBondContact NH2-OD1 3.25Å; R274-D309 IonicContact NH2-OD2 3.82Å; R274-D309 PolarHBondContact NH2-OD2 3.11Å; R274-D309 VanDerWaalsContact NH2-OD2 3.08Å; R274-F387 HydrophobicContact CB-CE1 4.49Å; R274-F387 HydrophobicContact CG-CE1 3.83Å; R274-F387 HydrophobicContact CG-CE2 4.2Å; R274-F387 HydrophobicContact CG-CZ 3.49Å; R274-F387 VanDerWaalsContact CG-CZ 3.49Å; R274-P389 HydrophobicContact CG-CG 4.28Å; R274-F860 VanDerWaalsContact CZ-O 3.28Å; R274-F860 PolarHBondContact NH1-O 3.16Å; R274-F860 PolarHBondContact NH2-O 2.84Å
275	R	89.3	Confident	91.4	Very high	145 Å²	145	49.3 Å²	49.3	55%	0.547	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	129.6	173	-171.6	-178.2	-66.5	172.4	1	108.8	Q273 D277 F387	Q273-R275 PolarHBondContact O-N 2.87Å; R275-D277 VanDerWaalsContact C-N 3.33Å; R275-D277 PolarHBondContact O-N 3.17Å; R275-F387 WeakPolarHBondContact CB-O 2.99Å; R275-F387 PolarHBondContact N-O 2.87Å
276	N	86.4	Confident	91.6	Very high	52 Å²	52	47.5 Å²	47.5	28%	0.278	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	38.2	178.1	-49.1	-35	0	0	0	114	R274 M824 M828 F850	R274-N276 PolarHBondContact O-N 3.44Å; N276-M824 VanDerWaalsContact CA-CE 3.46Å; N276-M824 HydrophobicContact CB-CE 4.05Å; N276-M824 HydrophobicContact CB-SD 4.18Å; N276-M828 HydrophobicContact CB-CE 3.62Å; N276-M828 WeakPolarHBondContact ND2-CE 3.44Å; N276-M828 WeakPolarHBondContact OD1-CE 3.48Å; N276-F850 HydrophobicContact CB-CD2 3.72Å; N276-F850 HydrophobicContact CB-CE2 3.54Å; N276-F850 HydrophobicContact CB-CG 4.48Å; N276-F850 HydrophobicContact CB-CZ 4.17Å; N276-F850 VanDerWaalsContact O-CE2 3.31Å; N276-F850 WeakPolarHBondContact O-CE2 3.4Å
277	D	88.7	Confident	91.8	Very high	44 Å²	44	43.5 Å²	43.5	24%	0.235	22%	0.217	C	C	.	.			trans	-61.2	144.8	179.4	-156	-4.4	0	0	0	112.4	R274 R275 D279 Q307	R274-D277 HydrophobicContact CB-CB 4.14Å; R274-D277 PolarHBondContact O-N 2.86Å; R275-D277 VanDerWaalsContact C-N 3.33Å; R275-D277 PolarHBondContact O-N 3.17Å; D277-D279 PolarHBondContact OD1-N 3.22Å; D277-Q307 PolarHBondContact OD2-NE2 3.47Å
278	L	91.1	Very high	91.9	Very high	32 Å²	32	45.4 Å²	45.4	17%	0.168	23%	0.229	C	C	.	.			trans	-95.8	-4.4	178.4	-72	170.1	0	0	0	112.4	Y812 K817 H820 K821 F850 P863	L278-Y812 WeakPolarHBondContact O-CE2 3.41Å; L278-K817 HydrophobicContact CD1-CG 4.28Å; L278-H820 HydrophobicContact CD2-CB 4.45Å; L278-K821 HydrophobicContact CD2-CB 4.37Å; L278-F850 HydrophobicContact CD2-CZ 4.23Å; L278-F850 HydrophobicContact CG-CZ 4.47Å; L278-P863 HydrophobicContact CB-CB 3.72Å; L278-P863 HydrophobicContact CB-CG 4.18Å
279	D	91.5	Very high	92.1	Very high	21 Å²	21	42.4 Å²	42.4	11%	0.112	22%	0.219	C	C	.	.	S	Bend	trans	-57.6	158.1	172.1	-82.9	16.6	0	0	0	112	D277 P281 R283 Q307 P863 K864	D277-D279 PolarHBondContact OD1-N 3.22Å; D279-P281 WeakPolarHBondContact O-CD 3.24Å; D279-R283 IonicContact OD2-CZ 2.7Å; D279-R283 IonicContact OD2-NH1 3.45Å; D279-R283 PolarHBondContact OD2-NH1 3.11Å; D279-Q307 PolarHBondContact OD2-NE2 2.96Å; D279-P863 VanDerWaalsContact OD1-C 3.31Å; D279-P863 WeakPolarHBondContact OD1-CA 3.4Å; D279-P863 WeakPolarHBondContact OD1-CB 3.37Å; D279-K864 CarbonylContact C-O 3.2Å; D279-K864 WeakPolarHBondContact CA-O 3.48Å; D279-K864 PolarHBondContact OD1-N 2.9Å
280	D	89.5	Confident	92.2	Very high	38 Å²	38	44.1 Å²	44.1	20%	0.203	23%	0.231	C	C	.	.			trans	-57.6	120.6	171.2	-171.7	7.1	0	0	0	110.5	D282 R283 K864 G866	D280-D282 PolarHBondContact O-N 2.72Å; D280-D282 VanDerWaalsContact O-N 3.12Å; D280-R283 HydrophobicContact CB-CB 4.45Å; D280-R283 WeakPolarHBondContact O-CB 3.41Å; D280-R283 PolarHBondContact O-N 3.42Å; D280-K864 PolarHBondContact N-O 2.73Å; D280-G866 VanDerWaalsContact OD2-CA 3.27Å; D280-G866 WeakPolarHBondContact OD2-CA 3.42Å
281	P	86.3	Confident	92.2	Very high	122 Å²	122	43.7 Å²	43.7	79%	0.792	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.4	-177.1	-25.4	34.8	0	0	0	114.6	D279 R283	D279-P281 WeakPolarHBondContact O-CD 3.24Å; P281-R283 PolarHBondContact O-N 2.89Å
282	D	86.8	Confident	92.1	Very high	151 Å²	151	46.7 Å²	46.7	81%	0.807	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-5.2	179.6	-68.3	-22	0	0	0	112.7	D280	D280-D282 PolarHBondContact O-N 2.72Å; D280-D282 VanDerWaalsContact O-N 3.12Å
283	R	88.9	Confident	91.9	Very high	66 Å²	66	48.1 Å²	48.1	25%	0.249	26%	0.257	C	S	.	.			trans	-90.3	120.9	-177.7	-177.6	176.5	172.9	-135.9	0.5	111.3	D279 D280 P281 E306 K864	D279-R283 IonicContact OD2-CZ 2.7Å; D279-R283 IonicContact OD2-NH1 3.45Å; D279-R283 PolarHBondContact OD2-NH1 3.11Å; D280-R283 HydrophobicContact CB-CB 4.45Å; D280-R283 WeakPolarHBondContact O-CB 3.41Å; D280-R283 PolarHBondContact O-N 3.42Å; P281-R283 PolarHBondContact O-N 2.89Å; R283-E306 IonicContact CZ-OE2 3.28Å; R283-E306 IonicContact NE-OE2 3.7Å; R283-E306 IonicContact NH2-OE2 2.8Å; R283-E306 PolarHBondContact NH2-OE2 2.83Å; R283-K864 VanDerWaalsContact NH1-CB 3.31Å
284	G	89.8	Confident	91.6	Very high	9 Å²	9	50 Å²	50	9%	0.093	26%	0.264	C	S	.	.			trans	-73.2	161.4	168.3	0	0	0	0	0	113.5	E253 N254	E253-G284 WeakPolarHBondContact OE1-CA 3.26Å; N254-G284 WeakPolarHBondContact OD1-CA 3.47Å
285	I	93.1	Very high	91	Very high	15 Å²	15	52.1 Å²	52.1	8%	0.077	28%	0.28	C	S	.	.			trans	-107.6	134.7	178	-57.7	-173.6	0	0	0	109.8	N254 I271 Q273 T305	N254-I285 PolarHBondContact N-O 2.79Å; N254-I285 PolarHBondContact OD1-N 2.83Å; I271-I285 HydrophobicContact CG2-CG2 4.24Å; Q273-I285 HydrophobicContact CB-CD1 4.34Å; Q273-I285 HydrophobicContact CG-CD1 3.83Å; I285-T305 HydrophobicContact CG2-CG2 3.99Å
286	L	95.7	Very high	90.5	Very high	40 Å²	40	55.2 Å²	55.2	21%	0.209	30%	0.297	C	S	.	.			trans	-115.4	151.8	173.2	-65.5	168.9	0	0	0	110.7	E253 T305 E306	E253-L286 VanDerWaalsContact CA-CD2 3.48Å; E253-L286 HydrophobicContact CB-CD2 3.96Å; E253-L286 HydrophobicContact CG-CD2 4.47Å; L286-T305 CarbonylContact O-C 3.58Å; L286-T305 VanDerWaalsContact O-CA 3.31Å; L286-T305 WeakPolarHBondContact O-CA 3.46Å; L286-E306 HydrophobicContact CB-CG 4.08Å; L286-E306 PolarHBondContact O-N 3.06Å
287	F	97.6	Very high	90.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	136.7	158.4	-70.8	-62.4	0	0	0	109.3	N233 F234 C251 I256 I271 A303 Q304 T305 F311 L327	N233-F287 PolarHBondContact ND2-O 2.89Å; F234-F287 HydrophobicContact CE1-CB 3.66Å; F234-F287 VanDerWaalsContact CE1-O 3.29Å; F234-F287 WeakPolarHBondContact CE1-O 3.49Å; F234-F287 HydrophobicContact CZ-CB 3.99Å; C251-F287 HydrophobicContact CB-CB 4.26Å; C251-F287 HydrophobicContact CB-CD2 4.23Å; I256-F287 HydrophobicContact CB-CE2 4.2Å; I256-F287 HydrophobicContact CD1-CE2 4.33Å; I271-F287 HydrophobicContact CD1-CD2 3.65Å; I271-F287 HydrophobicContact CD1-CE2 3.47Å; I271-F287 VanDerWaalsContact CD1-CE2 3.47Å; I271-F287 HydrophobicContact CD1-CG 4.39Å; I271-F287 HydrophobicContact CD1-CZ 4.08Å; I271-F287 HydrophobicContact CG1-CD2 4.27Å; I271-F287 HydrophobicContact CG1-CE2 3.57Å; I271-F287 HydrophobicContact CG1-CZ 3.94Å; I271-F287 HydrophobicContact CG2-CZ 4.07Å; F287-A303 HydrophobicContact CD1-CB 3.55Å; F287-A303 HydrophobicContact CD2-CB 4.45Å; F287-A303 HydrophobicContact CE1-CB 3.66Å; F287-A303 HydrophobicContact CG-CB 3.98Å; F287-A303 HydrophobicContact CZ-CB 4.18Å; F287-Q304 CarbonylContact C-O 3.44Å; F287-Q304 VanDerWaalsContact CA-O 3.26Å; F287-Q304 WeakPolarHBondContact CA-O 3.25Å; F287-T305 HydrophobicContact CD1-CG2 3.98Å; F287-T305 HydrophobicContact CE1-CG2 3.78Å; F287-F311 HydrophobicContact CE1-CB 4.49Å; F287-F311 AromaticContact CE1-CD2 3.95Å; F287-F311 HydrophobicContact CE1-CD2 3.95Å; F287-F311 HydrophobicContact CZ-CD2 4.43Å; F287-L327 HydrophobicContact CZ-CD2 4.24Å
288	V	96.7	Very high	89.9	Confident	54 Å²	54	62.6 Å²	62.6	33%	0.327	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-30.9	-178.2	-64.3	0	0	0	0	113.2	Q304 E306 V335	V288-Q304 HydrophobicContact CG2-CB 4.26Å; V288-Q304 HydrophobicContact CG2-CG 4.44Å; V288-Q304 WeakPolarHBondContact CG2-O 3.24Å; V288-Q304 PolarHBondContact N-O 3.42Å; V288-E306 HydrophobicContact CG1-CB 4.26Å; V288-E306 HydrophobicContact CG1-CG 3.62Å; V288-V335 HydrophobicContact CG2-CG1 4.06Å
289	C	96.4	Very high	89.9	Confident	9 Å²	9	62.2 Å²	62.2	6%	0.061	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	165.7	177.4	69.8	0	0	0	0	110.7	Q304	C289-Q304 PolarHBondContact O-N 3.04Å
290	S	96.6	Very high	90	Very high	36 Å²	36	61.5 Å²	61.5	25%	0.252	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153.6	176.9	70.3	0	0	0	0	111.8	I236 L302	I236-S290 VanDerWaalsContact CD1-CB 3.5Å; S290-L302 CarbonylContact C-O 3.59Å; S290-L302 WeakPolarHBondContact CA-O 3.49Å
291	A	95.8	Very high	90.3	Very high	7 Å²	7	59.7 Å²	59.7	6%	0.058	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.4	166.1	0	0	0	0	0	109.6	F301 L302 M339 V341	A291-F301 WeakPolarHBondContact O-CA 3.35Å; A291-L302 PolarHBondContact N-O 3.12Å; A291-L302 PolarHBondContact O-N 3.07Å; A291-M339 HydrophobicContact CB-CB 3.87Å; A291-V341 HydrophobicContact CB-CG2 3.82Å
292	S	92.6	Very high	90.8	Very high	65 Å²	65	53.9 Å²	53.9	46%	0.455	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	133.4	170.4	55.9	0	0	0	0	109.6
293	H	90.7	Very high	91.3	Very high	31 Å²	31	46.7 Å²	46.7	14%	0.144	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.2	170.3	-177.1	-121.4	0	0	0	109.4	T295 F299 F300 V341	H293-T295 WeakPolarHBondContact CE1-CG2 3.43Å; H293-F299 VanDerWaalsContact O-CA 3.29Å; H293-F299 WeakPolarHBondContact O-CA 3.35Å; H293-F300 HydrophobicContact CB-CD1 4.42Å; H293-F300 HydrophobicContact CB-CD2 4.23Å; H293-F300 HydrophobicContact CB-CE1 4.03Å; H293-F300 HydrophobicContact CB-CE2 3.79Å; H293-F300 HydrophobicContact CB-CZ 3.68Å; H293-F300 AromaticContact CG-CE1 3.92Å; H293-F300 AromaticContact CG-CZ 3.74Å; H293-F300 PolarHBondContact N-O 2.87Å; H293-F300 AromaticContact ND1-CD1 3.95Å; H293-F300 AromaticContact ND1-CE1 3.07Å; H293-F300 WeakPolarHBondContact ND1-CE1 3.39Å; H293-F300 AromaticContact ND1-CZ 3.21Å; H293-F300 WeakPolarHBondContact ND1-CZ 3.42Å; H293-F300 PolarHBondContact O-N 2.78Å; H293-V341 HydrophobicContact CB-CB 4.23Å; H293-V341 HydrophobicContact CB-CG1 3.89Å; H293-V341 VanDerWaalsContact CD2-CG1 3.49Å; H293-V341 WeakPolarHBondContact CD2-CG1 3.45Å
294	K	86	Confident	91.8	Very high	93 Å²	93	43.5 Å²	43.5	40%	0.404	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	119.5	-176	179.1	179.9	163.3	-167.7	0	109.9	E243	E243-K294 WeakPolarHBondContact OE1-CE 3.21Å; E243-K294 IonicContact OE1-NZ 2.94Å; E243-K294 PolarHBondContact OE1-NZ 2.96Å; E243-K294 VanDerWaalsContact OE2-CE 3.31Å; E243-K294 WeakPolarHBondContact OE2-CE 3.41Å; E243-K294 IonicContact OE2-NZ 2.72Å; E243-K294 PolarHBondContact OE2-NZ 2.94Å
295	T	82.2	Confident	92.1	Very high	65 Å²	65	43.2 Å²	43.2	40%	0.399	23%	0.227	S	C	.	.			trans	-106.4	-179.8	168.5	71.5	0	0	0	0	109.5	H293 N297 L298	H293-T295 WeakPolarHBondContact CE1-CG2 3.43Å; T295-N297 VanDerWaalsContact C-N 3.28Å; T295-N297 PolarHBondContact O-N 3.07Å; T295-L298 PolarHBondContact N-O 2.88Å; T295-L298 PolarHBondContact OG1-N 2.96Å; T295-L298 VanDerWaalsContact OG1-N 3.15Å; T295-L298 PolarHBondContact OG1-O 2.77Å
296	K	77.6	Confident	92.2	Very high	209 Å²	209	45.5 Å²	45.5	91%	0.909	24%	0.238	S	C	*	.	S	Bend	trans	-66.4	-28.7	-179.5	-71.2	-175.6	178.1	-179.5	0	113.7
297	N	78.1	Confident	92.1	Very high	160 Å²	160	44.4 Å²	44.4	86%	0.856	23%	0.232	S	C	*	.	S	Bend	trans	-120.1	-16.9	-170.3	-61.8	-6.4	0	0	0	113.4	T295	T295-N297 VanDerWaalsContact C-N 3.28Å; T295-N297 PolarHBondContact O-N 3.07Å
298	L	84.8	Confident	92	Very high	91 Å²	91	44.4 Å²	44.4	48%	0.476	23%	0.232	S	C	.	.			trans	-143.4	144.5	-175.4	-161.4	86.6	0	0	0	109.4	T295 F300	T295-L298 PolarHBondContact N-O 2.88Å; T295-L298 PolarHBondContact OG1-N 2.96Å; T295-L298 VanDerWaalsContact OG1-N 3.15Å; T295-L298 PolarHBondContact OG1-O 2.77Å; L298-F300 HydrophobicContact CD2-CD1 4.48Å
299	F	91.1	Very high	92.1	Very high	25 Å²	25	41.9 Å²	41.9	11%	0.11	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149	165.2	63.9	-90.4	0	0	0	108.9	V238 P239 E243 P245 H293 F301 L315	V238-F299 HydrophobicContact CG1-CE2 4.14Å; V238-F299 HydrophobicContact CG1-CZ 4.34Å; P239-F299 HydrophobicContact CB-CD1 4.44Å; P239-F299 HydrophobicContact CB-CG 4.44Å; P239-F299 HydrophobicContact CG-CB 4.03Å; P239-F299 HydrophobicContact CG-CD1 4.4Å; P239-F299 HydrophobicContact CG-CD2 4.09Å; P239-F299 HydrophobicContact CG-CG 3.91Å; E243-F299 WeakPolarHBondContact O-CD1 3.45Å; P245-F299 HydrophobicContact CG-CZ 4.47Å; H293-F299 VanDerWaalsContact O-CA 3.29Å; H293-F299 WeakPolarHBondContact O-CA 3.35Å; F299-F301 AromaticContact CD2-CE2 3.86Å; F299-F301 HydrophobicContact CD2-CE2 3.86Å; F299-F301 AromaticContact CD2-CZ 3.8Å; F299-F301 HydrophobicContact CD2-CZ 3.8Å; F299-F301 AromaticContact CE2-CE2 3.88Å; F299-F301 HydrophobicContact CE2-CE2 3.88Å; F299-F301 AromaticContact CE2-CZ 3.98Å; F299-F301 HydrophobicContact CE2-CZ 3.98Å; F299-L315 HydrophobicContact CE2-CB 4.45Å; F299-L315 HydrophobicContact CE2-CD1 4.14Å; F299-L315 HydrophobicContact CE2-CG 4.39Å
300	F	93.4	Very high	92.1	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.022	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	162.7	170.9	63.6	-96.9	0	0	0	109	H293 L298 L302 K312 N314 L364	H293-F300 HydrophobicContact CB-CD1 4.42Å; H293-F300 HydrophobicContact CB-CD2 4.23Å; H293-F300 HydrophobicContact CB-CE1 4.03Å; H293-F300 HydrophobicContact CB-CE2 3.79Å; H293-F300 HydrophobicContact CB-CZ 3.68Å; H293-F300 AromaticContact CG-CE1 3.92Å; H293-F300 AromaticContact CG-CZ 3.74Å; H293-F300 PolarHBondContact N-O 2.87Å; H293-F300 AromaticContact ND1-CD1 3.95Å; H293-F300 AromaticContact ND1-CE1 3.07Å; H293-F300 WeakPolarHBondContact ND1-CE1 3.39Å; H293-F300 AromaticContact ND1-CZ 3.21Å; H293-F300 WeakPolarHBondContact ND1-CZ 3.42Å; H293-F300 PolarHBondContact O-N 2.78Å; L298-F300 HydrophobicContact CD2-CD1 4.48Å; F300-L302 HydrophobicContact CD2-CD2 4.16Å; F300-L302 HydrophobicContact CD2-CG 4.32Å; F300-L302 HydrophobicContact CE2-CD1 4.47Å; F300-L302 HydrophobicContact CE2-CD2 3.99Å; F300-L302 HydrophobicContact CE2-CG 4Å; F300-K312 HydrophobicContact CB-CG 4.31Å; F300-K312 HydrophobicContact CD2-CG 4.14Å; F300-K312 HydrophobicContact CG-CG 4.41Å; F300-N314 VanDerWaalsContact CB-OD1 3.25Å; F300-N314 WeakPolarHBondContact CB-OD1 3.36Å; F300-L364 HydrophobicContact CE1-CD2 4.05Å; F300-L364 HydrophobicContact CZ-CD2 3.96Å
301	F	96.5	Very high	92.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.8	176.1	-44.6	-87.3	0	0	0	109.7	I236 V238 L249 A291 F299 K312 I313 L315	I236-F301 HydrophobicContact CG2-CD1 3.66Å; I236-F301 HydrophobicContact CG2-CE1 3.89Å; I236-F301 HydrophobicContact CG2-CG 4.45Å; V238-F301 HydrophobicContact CB-CZ 4.32Å; V238-F301 HydrophobicContact CG1-CZ 4.29Å; V238-F301 HydrophobicContact CG2-CE2 4.49Å; V238-F301 HydrophobicContact CG2-CZ 4Å; L249-F301 HydrophobicContact CD1-CD2 3.72Å; L249-F301 HydrophobicContact CD1-CE2 3.75Å; L249-F301 HydrophobicContact CD1-CG 4.25Å; L249-F301 HydrophobicContact CD1-CZ 4.29Å; A291-F301 WeakPolarHBondContact O-CA 3.35Å; F299-F301 AromaticContact CD2-CE2 3.86Å; F299-F301 HydrophobicContact CD2-CE2 3.86Å; F299-F301 AromaticContact CD2-CZ 3.8Å; F299-F301 HydrophobicContact CD2-CZ 3.8Å; F299-F301 AromaticContact CE2-CE2 3.88Å; F299-F301 HydrophobicContact CE2-CE2 3.88Å; F299-F301 AromaticContact CE2-CZ 3.98Å; F299-F301 HydrophobicContact CE2-CZ 3.98Å; F301-K312 CarbonylContact O-C 3.58Å; F301-K312 WeakPolarHBondContact O-CA 3.49Å; F301-I313 HydrophobicContact CB-CB 4.19Å; F301-I313 HydrophobicContact CB-CD1 4.39Å; F301-I313 HydrophobicContact CD2-CB 4.28Å; F301-I313 HydrophobicContact CD2-CG2 4.28Å; F301-I313 PolarHBondContact N-O 2.81Å; F301-I313 PolarHBondContact O-N 2.97Å; F301-L315 HydrophobicContact CE2-CD1 4.2Å; F301-L315 HydrophobicContact CE2-CG 4.35Å
302	L	97.2	Very high	92.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.6	165	-63	-177.1	0	0	0	107.3	S290 A291 F300 I310 F311 K312 F330 M339 V341 L347	S290-L302 CarbonylContact C-O 3.59Å; S290-L302 WeakPolarHBondContact CA-O 3.49Å; A291-L302 PolarHBondContact N-O 3.12Å; A291-L302 PolarHBondContact O-N 3.07Å; F300-L302 HydrophobicContact CD2-CD2 4.16Å; F300-L302 HydrophobicContact CD2-CG 4.32Å; F300-L302 HydrophobicContact CE2-CD1 4.47Å; F300-L302 HydrophobicContact CE2-CD2 3.99Å; F300-L302 HydrophobicContact CE2-CG 4Å; L302-I310 HydrophobicContact CB-CG2 3.85Å; L302-I310 HydrophobicContact CD1-CG2 4.49Å; L302-I310 HydrophobicContact CD2-CG2 3.95Å; L302-I310 HydrophobicContact CG-CG2 4.3Å; L302-F311 WeakPolarHBondContact CA-O 3.29Å; L302-K312 HydrophobicContact CD2-CB 4.22Å; L302-F330 HydrophobicContact CD2-CD1 4.3Å; L302-F330 HydrophobicContact CD2-CD2 4.44Å; L302-F330 HydrophobicContact CD2-CG 4.22Å; L302-M339 HydrophobicContact CB-CE 4.32Å; L302-M339 WeakPolarHBondContact O-CE 3.47Å; L302-V341 HydrophobicContact CD1-CG2 3.75Å; L302-L347 HydrophobicContact CD1-CD1 4.31Å; L302-L347 HydrophobicContact CD1-CD2 4.34Å
303	A	97.7	Very high	92.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.4	175.7	0	0	0	0	0	109.8	F287 I310 F311 I313	F287-A303 HydrophobicContact CD1-CB 3.55Å; F287-A303 HydrophobicContact CD2-CB 4.45Å; F287-A303 HydrophobicContact CE1-CB 3.66Å; F287-A303 HydrophobicContact CG-CB 3.98Å; F287-A303 HydrophobicContact CZ-CB 4.18Å; A303-I310 WeakPolarHBondContact O-CA 3.45Å; A303-F311 PolarHBondContact N-O 2.98Å; A303-F311 PolarHBondContact O-N 3.41Å; A303-I313 HydrophobicContact CB-CD1 3.56Å
304	Q	98.1	Very high	92.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	133.3	-176.8	-168.3	-173.7	30.3	0	0	111.1	F287 V288 C289 G308 D309 I310 V333 P334 A336 M339	F287-Q304 CarbonylContact C-O 3.44Å; F287-Q304 VanDerWaalsContact CA-O 3.26Å; F287-Q304 WeakPolarHBondContact CA-O 3.25Å; V288-Q304 HydrophobicContact CG2-CB 4.26Å; V288-Q304 HydrophobicContact CG2-CG 4.44Å; V288-Q304 WeakPolarHBondContact CG2-O 3.24Å; V288-Q304 PolarHBondContact N-O 3.42Å; C289-Q304 PolarHBondContact O-N 3.04Å; Q304-G308 PolarHBondContact NE2-O 2.8Å; Q304-D309 CarbonylContact C-O 3.6Å; Q304-D309 VanDerWaalsContact CA-O 3.3Å; Q304-D309 WeakPolarHBondContact CA-O 3.42Å; Q304-I310 HydrophobicContact CB-CG1 4.29Å; Q304-I310 HydrophobicContact CG-CG1 4.12Å; Q304-V333 VanDerWaalsContact NE2-CG2 3.34Å; Q304-V333 PolarHBondContact NE2-O 2.89Å; Q304-V333 VanDerWaalsContact NE2-O 3.12Å; Q304-P334 PolarHBondContact NE2-O 3.43Å; Q304-A336 VanDerWaalsContact OE1-CB 3.27Å; Q304-M339 HydrophobicContact CB-CE 3.77Å; Q304-M339 HydrophobicContact CB-SD 4.24Å
305	T	97.3	Very high	93	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	167.8	174.9	68.5	0	0	0	0	112.6	I271 I285 L286 F287 Q307 G308 D309 F311	I271-T305 HydrophobicContact CG2-CG2 4.15Å; I285-T305 HydrophobicContact CG2-CG2 3.99Å; L286-T305 CarbonylContact O-C 3.58Å; L286-T305 VanDerWaalsContact O-CA 3.31Å; L286-T305 WeakPolarHBondContact O-CA 3.46Å; F287-T305 HydrophobicContact CD1-CG2 3.98Å; F287-T305 HydrophobicContact CE1-CG2 3.78Å; T305-Q307 PolarHBondContact O-N 3.26Å; T305-Q307 VanDerWaalsContact O-N 3.1Å; T305-Q307 PolarHBondContact OG1-N 2.92Å; T305-G308 PolarHBondContact O-N 2.78Å; T305-D309 PolarHBondContact N-O 2.94Å; T305-D309 PolarHBondContact OG1-N 2.92Å; T305-F311 HydrophobicContact CG2-CD2 3.94Å; T305-F311 HydrophobicContact CG2-CE2 3.63Å
306	E	94.7	Very high	93.5	Very high	64 Å²	64	32.8 Å²	32.8	30%	0.299	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-18.4	174.2	-64.1	-168.9	155.4	0	0	114.9	R283 L286 V288 V335	R283-E306 IonicContact CZ-OE2 3.28Å; R283-E306 IonicContact NE-OE2 3.7Å; R283-E306 IonicContact NH2-OE2 2.8Å; R283-E306 PolarHBondContact NH2-OE2 2.83Å; L286-E306 HydrophobicContact CB-CG 4.08Å; L286-E306 PolarHBondContact O-N 3.06Å; V288-E306 HydrophobicContact CG1-CB 4.26Å; V288-E306 HydrophobicContact CG1-CG 3.62Å; E306-V335 WeakPolarHBondContact O-CG2 3.09Å
307	Q	94.1	Very high	94.1	Very high	17 Å²	17	25.9 Å²	25.9	8%	0.079	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-8	177.3	-65.2	-179.7	-22.1	0	0	112.9	R274 D277 D279 T305	R274-Q307 VanDerWaalsContact CD-OE1 3.27Å; R274-Q307 PolarHBondContact NH2-O 3.34Å; D277-Q307 PolarHBondContact OD2-NE2 3.47Å; D279-Q307 PolarHBondContact OD2-NE2 2.96Å; T305-Q307 PolarHBondContact O-N 3.26Å; T305-Q307 VanDerWaalsContact O-N 3.1Å; T305-Q307 PolarHBondContact OG1-N 2.92Å
308	G	95.1	Very high	94.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	100.1	1	179.6	0	0	0	0	0	114.9	Q304 T305 V333	Q304-G308 PolarHBondContact NE2-O 2.8Å; T305-G308 PolarHBondContact O-N 2.78Å; G308-V333 CarbonylContact C-O 3.55Å; G308-V333 WeakPolarHBondContact CA-O 3.45Å; G308-V333 PolarHBondContact O-N 2.92Å
309	D	97.3	Very high	94.5	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	124.7	-176.8	-54	-48.7	0	0	0	110.9	R274 Q304 T305 F311 Y329 T332 F387	R274-D309 IonicContact CZ-OD1 3.6Å; R274-D309 IonicContact CZ-OD2 2.93Å; R274-D309 VanDerWaalsContact CZ-OD2 3.31Å; R274-D309 IonicContact NE-OD1 3.83Å; R274-D309 PolarHBondContact NE-OD1 2.79Å; R274-D309 IonicContact NE-OD2 2.67Å; R274-D309 PolarHBondContact NE-OD2 2.98Å; R274-D309 VanDerWaalsContact NH2-CG 3.27Å; R274-D309 IonicContact NH2-OD1 2.93Å; R274-D309 PolarHBondContact NH2-OD1 3.25Å; R274-D309 IonicContact NH2-OD2 3.82Å; R274-D309 PolarHBondContact NH2-OD2 3.11Å; R274-D309 VanDerWaalsContact NH2-OD2 3.08Å; Q304-D309 CarbonylContact C-O 3.6Å; Q304-D309 VanDerWaalsContact CA-O 3.3Å; Q304-D309 WeakPolarHBondContact CA-O 3.42Å; T305-D309 PolarHBondContact N-O 2.94Å; T305-D309 PolarHBondContact OG1-N 2.92Å; D309-F311 HydrophobicContact CB-CE2 4Å; D309-Y329 HydrophobicContact CB-CD2 4.44Å; D309-Y329 HydrophobicContact CB-CE2 4.11Å; D309-T332 VanDerWaalsContact OD1-CG2 3.28Å; D309-T332 WeakPolarHBondContact OD1-CG2 3.2Å; D309-T332 PolarHBondContact OD1-OG1 3.42Å; D309-F387 HydrophobicContact CB-CE2 4.49Å; D309-F387 HydrophobicContact CB-CZ 4.01Å
310	I	97.7	Very high	94.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.4	176	-59.6	176.3	0	0	0	108.7	L302 A303 Q304 F330 D331 V333 M339 L347 L395	L302-I310 HydrophobicContact CB-CG2 3.85Å; L302-I310 HydrophobicContact CD1-CG2 4.49Å; L302-I310 HydrophobicContact CD2-CG2 3.95Å; L302-I310 HydrophobicContact CG-CG2 4.3Å; A303-I310 WeakPolarHBondContact O-CA 3.45Å; Q304-I310 HydrophobicContact CB-CG1 4.29Å; Q304-I310 HydrophobicContact CG-CG1 4.12Å; I310-F330 HydrophobicContact CB-CB 4.3Å; I310-F330 HydrophobicContact CG2-CB 4.03Å; I310-F330 HydrophobicContact CG2-CD1 4.12Å; I310-F330 HydrophobicContact CG2-CG 4.43Å; I310-F330 VanDerWaalsContact O-CB 3.31Å; I310-F330 WeakPolarHBondContact O-CB 3.46Å; I310-F330 PolarHBondContact O-N 3.35Å; I310-D331 WeakPolarHBondContact CB-O 3.48Å; I310-D331 PolarHBondContact N-O 2.85Å; I310-V333 HydrophobicContact CD1-CG1 4.18Å; I310-V333 HydrophobicContact CD1-CG2 3.55Å; I310-V333 HydrophobicContact CG1-CG2 4.1Å; I310-M339 HydrophobicContact CD1-SD 3.82Å; I310-M339 HydrophobicContact CG1-SD 4.19Å; I310-L347 HydrophobicContact CD1-CD2 4.03Å; I310-L395 HydrophobicContact CD1-CD1 4.44Å
311	F	97.3	Very high	93.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.8	170.2	-70.2	-90	0	0	0	110.5	P272 F287 L302 A303 T305 D309 K328 F387	P272-F311 HydrophobicContact CB-CE1 3.76Å; P272-F311 HydrophobicContact CB-CZ 3.95Å; P272-F311 HydrophobicContact CG-CD1 4.3Å; P272-F311 HydrophobicContact CG-CE1 3.67Å; P272-F311 HydrophobicContact CG-CZ 4.21Å; F287-F311 HydrophobicContact CE1-CB 4.49Å; F287-F311 AromaticContact CE1-CD2 3.95Å; F287-F311 HydrophobicContact CE1-CD2 3.95Å; F287-F311 HydrophobicContact CZ-CD2 4.43Å; L302-F311 WeakPolarHBondContact CA-O 3.29Å; A303-F311 PolarHBondContact N-O 2.98Å; A303-F311 PolarHBondContact O-N 3.41Å; T305-F311 HydrophobicContact CG2-CD2 3.94Å; T305-F311 HydrophobicContact CG2-CE2 3.63Å; D309-F311 HydrophobicContact CB-CE2 4Å; F311-K328 CarbonylContact C-O 3.51Å; F311-K328 WeakPolarHBondContact CA-O 3.36Å; F311-F387 HydrophobicContact CE1-CD1 4.27Å; F311-F387 HydrophobicContact CE1-CE1 4.4Å; F311-F387 HydrophobicContact CE2-CE1 4.4Å; F311-F387 AromaticContact CZ-CD1 3.84Å; F311-F387 HydrophobicContact CZ-CD1 3.84Å; F311-F387 AromaticContact CZ-CE1 3.56Å; F311-F387 HydrophobicContact CZ-CE1 3.56Å; F311-F387 HydrophobicContact CZ-CG 4.47Å; F311-F387 AromaticContact CZ-CZ 3.94Å; F311-F387 HydrophobicContact CZ-CZ 3.94Å
312	K	96.6	Very high	93.7	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	122.5	164.2	-176.3	-176.2	-177.9	-178.8	0	108.2	F300 F301 L302 L327 K328 F330 L364 D366	F300-K312 HydrophobicContact CB-CG 4.31Å; F300-K312 HydrophobicContact CD2-CG 4.14Å; F300-K312 HydrophobicContact CG-CG 4.41Å; F301-K312 CarbonylContact O-C 3.58Å; F301-K312 WeakPolarHBondContact O-CA 3.49Å; L302-K312 HydrophobicContact CD2-CB 4.22Å; K312-L327 WeakPolarHBondContact O-CA 3.4Å; K312-K328 PolarHBondContact N-O 3.28Å; K312-K328 PolarHBondContact O-N 2.96Å; K312-F330 HydrophobicContact CB-CD2 4.39Å; K312-L364 WeakPolarHBondContact CD-O 3.44Å; K312-L364 PolarHBondContact NZ-O 2.85Å; K312-D366 IonicContact NZ-OD1 3.96Å; K312-D366 PolarHBondContact NZ-OD1 2.89Å; K312-D366 IonicContact NZ-OD2 2.87Å; K312-D366 PolarHBondContact NZ-OD2 2.88Å
313	I	96.2	Very high	93.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.8	178.2	-57.4	155	0	0	0	108.5	L249 I256 F301 A303 I325 K326 L327	L249-I313 HydrophobicContact CD1-CG2 4.3Å; I256-I313 HydrophobicContact CD1-CD1 3.56Å; I256-I313 HydrophobicContact CD1-CG1 4.41Å; F301-I313 HydrophobicContact CB-CB 4.19Å; F301-I313 HydrophobicContact CB-CD1 4.39Å; F301-I313 HydrophobicContact CD2-CB 4.28Å; F301-I313 HydrophobicContact CD2-CG2 4.28Å; F301-I313 PolarHBondContact N-O 2.81Å; F301-I313 PolarHBondContact O-N 2.97Å; A303-I313 HydrophobicContact CB-CD1 3.56Å; I313-I325 HydrophobicContact CG2-CG2 3.7Å; I313-K326 WeakPolarHBondContact CA-O 3.01Å; I313-L327 HydrophobicContact CG1-CG 4.06Å
314	N	94.7	Very high	93.4	Very high	22 Å²	22	41 Å²	41	12%	0.118	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	148.6	172	-65.6	-36.4	0	0	0	109.6	F300 K326	F300-N314 VanDerWaalsContact CB-OD1 3.25Å; F300-N314 WeakPolarHBondContact CB-OD1 3.36Å; N314-K326 HydrophobicContact CB-CB 4.3Å; N314-K326 PolarHBondContact N-O 2.68Å; N314-K326 PolarHBondContact O-N 3.19Å
315	L	94.5	Very high	93.3	Very high	17 Å²	17	41 Å²	41	9%	0.089	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.9	173.8	-57.5	-179	0	0	0	108.4	V238 L249 Y258 F299 F301 V322 I325	V238-L315 HydrophobicContact CB-CD1 4.49Å; V238-L315 HydrophobicContact CG1-CD1 3.69Å; V238-L315 HydrophobicContact CG2-CD1 3.92Å; L249-L315 HydrophobicContact CD2-CD2 4.11Å; Y258-L315 HydrophobicContact CD2-CD1 4.05Å; Y258-L315 HydrophobicContact CE2-CD1 4.16Å; F299-L315 HydrophobicContact CE2-CB 4.45Å; F299-L315 HydrophobicContact CE2-CD1 4.14Å; F299-L315 HydrophobicContact CE2-CG 4.39Å; F301-L315 HydrophobicContact CE2-CD1 4.2Å; F301-L315 HydrophobicContact CE2-CG 4.35Å; L315-V322 HydrophobicContact CB-CG1 4.18Å; L315-V322 HydrophobicContact CB-CG2 4.46Å; L315-V322 HydrophobicContact CD1-CG2 4.42Å; L315-V322 HydrophobicContact CD2-CG1 4.34Å; L315-I325 HydrophobicContact CD2-CB 4.3Å; L315-I325 HydrophobicContact CD2-CG1 3.84Å; L315-I325 HydrophobicContact CD2-CG2 4.06Å
316	E	93.7	Very high	93.2	Very high	74 Å²	74	42.7 Å²	42.7	35%	0.346	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.3	170.7	-66.4	-67.7	168.9	0	0	109	V322 T323 E324 K326	E316-V322 CarbonylContact O-C 3.53Å; E316-V322 VanDerWaalsContact O-CA 3.31Å; E316-V322 WeakPolarHBondContact O-CA 3.42Å; E316-V322 WeakPolarHBondContact O-CG1 3.46Å; E316-T323 PolarHBondContact O-N 2.86Å; E316-T323 PolarHBondContact O-OG1 3.36Å; E316-E324 HydrophobicContact CB-CG 3.57Å; E316-E324 HydrophobicContact CG-CG 3.63Å; E316-E324 PolarHBondContact N-O 2.9Å; E316-K326 HydrophobicContact CG-CD 3.8Å; E316-K326 HydrophobicContact CG-CG 4.46Å; E316-K326 WeakPolarHBondContact OE1-CD 3.19Å; E316-K326 WeakPolarHBondContact OE1-CE 3.44Å; E316-K326 IonicContact OE1-NZ 2.83Å; E316-K326 PolarHBondContact OE1-NZ 3.28Å
317	V	89.9	Confident	93.3	Very high	64 Å²	64	39.6 Å²	39.6	39%	0.388	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.1	-174.6	-174	0	0	0	0	108.7	P245 M321 V322	P245-V317 HydrophobicContact CB-CG1 4.4Å; P245-V317 HydrophobicContact CB-CG2 4.27Å; P245-V317 HydrophobicContact CG-CG2 3.92Å; V317-M321 CarbonylContact C-O 3.56Å; V317-M321 WeakPolarHBondContact CA-O 3.48Å; V317-V322 HydrophobicContact CG2-CG2 4.27Å
318	D	89	Confident	93.3	Very high	101 Å²	101	39.4 Å²	39.4	54%	0.54	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.1	172.5	-167.1	18	0	0	0	108.9	D320 M321 T323	D318-D320 VanDerWaalsContact C-N 3.3Å; D318-D320 PolarHBondContact O-N 2.86Å; D318-M321 PolarHBondContact N-O 2.9Å; D318-M321 PolarHBondContact O-N 2.95Å; D318-T323 HydrophobicContact CB-CG2 3.56Å
319	D	83	Confident	93.4	Very high	150 Å²	150	39.6 Å²	39.6	80%	0.802	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.1	48.5	-177.9	-71.2	-26.4	0	0	0	114.5	M321	D319-M321 PolarHBondContact O-N 3.23Å; D319-M321 VanDerWaalsContact O-N 3.14Å
320	D	81.3	Confident	93.3	Very high	149 Å²	149	39.7 Å²	39.7	80%	0.797	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	0.1	-176.6	-62.3	-38.5	0	0	0	116.1	D318	D318-D320 VanDerWaalsContact C-N 3.3Å; D318-D320 PolarHBondContact O-N 2.86Å
321	M	89.2	Confident	93.3	Very high	82 Å²	82	39.7 Å²	39.7	40%	0.404	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	139.2	173.5	-64.4	-168.6	179.6	0	0	110.8	D263 V317 D318 D319	D263-M321 HydrophobicContact CB-CE 3.95Å; V317-M321 CarbonylContact C-O 3.56Å; V317-M321 WeakPolarHBondContact CA-O 3.48Å; D318-M321 PolarHBondContact N-O 2.9Å; D318-M321 PolarHBondContact O-N 2.95Å; D319-M321 PolarHBondContact O-N 3.23Å; D319-M321 VanDerWaalsContact O-N 3.14Å
322	V	93.4	Very high	93.3	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	135.3	170	-179.5	0	0	0	0	107.7	P245 Y258 Q264 I267 L315 E316 V317	P245-V322 HydrophobicContact CB-CG2 3.88Å; P245-V322 HydrophobicContact CG-CG2 3.6Å; Y258-V322 HydrophobicContact CD1-CB 3.65Å; Y258-V322 HydrophobicContact CD1-CG1 3.98Å; Y258-V322 HydrophobicContact CD1-CG2 3.83Å; Y258-V322 HydrophobicContact CE1-CB 3.46Å; Y258-V322 VanDerWaalsContact CE1-CB 3.46Å; Y258-V322 HydrophobicContact CE1-CG1 4.26Å; Y258-V322 HydrophobicContact CE1-CG2 3.27Å; Y258-V322 HydrophobicContact CE2-CG2 4.04Å; Y258-V322 HydrophobicContact CG-CB 4.44Å; Y258-V322 HydrophobicContact CG-CG1 4.39Å; Y258-V322 HydrophobicContact CG-CG2 4.41Å; Q264-V322 PolarHBondContact NE2-O 2.87Å; I267-V322 VanDerWaalsContact CD1-C 3.43Å; I267-V322 HydrophobicContact CD1-CB 4.02Å; I267-V322 HydrophobicContact CD1-CG1 3.76Å; I267-V322 WeakPolarHBondContact CD1-O 3.14Å; L315-V322 HydrophobicContact CB-CG1 4.18Å; L315-V322 HydrophobicContact CB-CG2 4.46Å; L315-V322 HydrophobicContact CD1-CG2 4.42Å; L315-V322 HydrophobicContact CD2-CG1 4.34Å; E316-V322 CarbonylContact O-C 3.53Å; E316-V322 VanDerWaalsContact O-CA 3.31Å; E316-V322 WeakPolarHBondContact O-CA 3.42Å; E316-V322 WeakPolarHBondContact O-CG1 3.46Å; V317-V322 HydrophobicContact CG2-CG2 4.27Å
323	T	93.5	Very high	93.3	Very high	72 Å²	72	39.7 Å²	39.7	44%	0.442	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-38.1	179.9	52.8	0	0	0	0	112.3	I267 E316 D318	I267-T323 WeakPolarHBondContact CD1-O 3.1Å; E316-T323 PolarHBondContact O-N 2.86Å; E316-T323 PolarHBondContact O-OG1 3.36Å; D318-T323 HydrophobicContact CB-CG2 3.56Å
324	E	94.4	Very high	93.2	Very high	42 Å²	42	41.9 Å²	41.9	20%	0.196	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	151.7	178.1	57.7	179.9	-178.4	0	0	112.8	E316 K326 S374 S375 A376	E316-E324 HydrophobicContact CB-CG 3.57Å; E316-E324 HydrophobicContact CG-CG 3.63Å; E316-E324 PolarHBondContact N-O 2.9Å; E324-K326 WeakPolarHBondContact OE1-CE 3.11Å; E324-K326 IonicContact OE1-NZ 3.05Å; E324-K326 PolarHBondContact OE1-NZ 3Å; E324-S374 PolarHBondContact OE2-OG 3.04Å; E324-S375 WeakPolarHBondContact CA-OG 3.41Å; E324-A376 HydrophobicContact CB-CB 4.27Å; E324-A376 WeakPolarHBondContact OE2-CB 3.37Å
325	I	96.2	Very high	93.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.8	168.7	-53	172.3	0	0	0	107.1	L249 I267 C269 I313 L315 L327 S374 S375	L249-I325 HydrophobicContact CD2-CD1 4.13Å; I267-I325 HydrophobicContact CB-CD1 4.37Å; I267-I325 HydrophobicContact CB-CG1 4.39Å; I267-I325 HydrophobicContact CG2-CD1 4Å; I267-I325 HydrophobicContact CG2-CG1 3.74Å; I267-I325 VanDerWaalsContact O-CD1 3.29Å; I267-I325 WeakPolarHBondContact O-CD1 3.48Å; C269-I325 HydrophobicContact CB-CB 4.2Å; C269-I325 HydrophobicContact CB-CD1 4.48Å; C269-I325 HydrophobicContact CB-CG2 4.47Å; I313-I325 HydrophobicContact CG2-CG2 3.7Å; L315-I325 HydrophobicContact CD2-CB 4.3Å; L315-I325 HydrophobicContact CD2-CG1 3.84Å; L315-I325 HydrophobicContact CD2-CG2 4.06Å; I325-L327 HydrophobicContact CB-CD1 4.46Å; I325-L327 HydrophobicContact CG2-CD1 3.51Å; I325-S374 WeakPolarHBondContact O-CA 3.17Å; I325-S375 PolarHBondContact N-OG 2.76Å; I325-S375 PolarHBondContact O-N 2.67Å
326	K	95.5	Very high	93.4	Very high	36 Å²	36	42.5 Å²	42.5	16%	0.157	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.8	175.7	-72.2	174	174	180	0	110.4	I313 N314 E316 E324 E372 F373	I313-K326 WeakPolarHBondContact CA-O 3.01Å; N314-K326 HydrophobicContact CB-CB 4.3Å; N314-K326 PolarHBondContact N-O 2.68Å; N314-K326 PolarHBondContact O-N 3.19Å; E316-K326 HydrophobicContact CG-CD 3.8Å; E316-K326 HydrophobicContact CG-CG 4.46Å; E316-K326 WeakPolarHBondContact OE1-CD 3.19Å; E316-K326 WeakPolarHBondContact OE1-CE 3.44Å; E316-K326 IonicContact OE1-NZ 2.83Å; E316-K326 PolarHBondContact OE1-NZ 3.28Å; E324-K326 WeakPolarHBondContact OE1-CE 3.11Å; E324-K326 IonicContact OE1-NZ 3.05Å; E324-K326 PolarHBondContact OE1-NZ 3Å; K326-E372 HydrophobicContact CB-CG 4.02Å; K326-E372 WeakPolarHBondContact CD-OE2 3.34Å; K326-E372 HydrophobicContact CG-CG 4.37Å; K326-F373 CarbonylContact C-O 3.55Å; K326-F373 VanDerWaalsContact CA-O 3.31Å; K326-F373 WeakPolarHBondContact CA-O 3.21Å
327	L	95.6	Very high	93.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.5	176	-83.4	79.4	0	0	0	109	I256 C269 P272 F287 K312 I313 I325 F373	I256-L327 HydrophobicContact CG2-CD1 3.93Å; I256-L327 HydrophobicContact CG2-CD2 4.22Å; C269-L327 HydrophobicContact CB-CD1 4.03Å; P272-L327 HydrophobicContact CG-CB 4.47Å; F287-L327 HydrophobicContact CZ-CD2 4.24Å; K312-L327 WeakPolarHBondContact O-CA 3.4Å; I313-L327 HydrophobicContact CG1-CG 4.06Å; I325-L327 HydrophobicContact CB-CD1 4.46Å; I325-L327 HydrophobicContact CG2-CD1 3.51Å; L327-F373 HydrophobicContact CB-CB 4.5Å; L327-F373 PolarHBondContact N-O 3.02Å; L327-F373 WeakPolarHBondContact O-CD2 3.31Å; L327-F373 PolarHBondContact O-N 2.87Å
328	K	95.6	Very high	93.8	Very high	12 Å²	12	38.5 Å²	38.5	5%	0.052	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.5	172.7	-166.3	169.5	-179.1	179	0	109.8	F311 K312 F330 G365 D368 E370 E372	F311-K328 CarbonylContact C-O 3.51Å; F311-K328 WeakPolarHBondContact CA-O 3.36Å; K312-K328 PolarHBondContact N-O 3.28Å; K312-K328 PolarHBondContact O-N 2.96Å; K328-F330 PolarHBondContact O-N 3.33Å; K328-G365 VanDerWaalsContact CD-O 3.3Å; K328-G365 WeakPolarHBondContact CD-O 2.96Å; K328-G365 WeakPolarHBondContact CE-O 3.33Å; K328-G365 PolarHBondContact NZ-O 2.77Å; K328-D368 WeakPolarHBondContact CE-OD1 3.26Å; K328-D368 IonicContact NZ-OD1 2.69Å; K328-D368 PolarHBondContact NZ-OD1 2.92Å; K328-E370 WeakPolarHBondContact CE-O 3.25Å; K328-E372 HydrophobicContact CB-CG 4.36Å; K328-E372 HydrophobicContact CD-CB 4.39Å
329	Y	96.8	Very high	94.3	Very high	5 Å²	5	34.2 Å²	34.2	2%	0.02	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	132.7	173.5	172.1	-110.3	0	0	0	109.2	D309 T332 E370 F387 R390	D309-Y329 HydrophobicContact CB-CD2 4.44Å; D309-Y329 HydrophobicContact CB-CE2 4.11Å; Y329-T332 WeakPolarHBondContact CE2-OG1 3.32Å; Y329-T332 PolarHBondContact OH-N 3.34Å; Y329-T332 PolarHBondContact OH-OG1 2.68Å; Y329-E370 VanDerWaalsContact O-OE2 3.12Å; Y329-F387 HydrophobicContact CD1-CD2 4.1Å; Y329-F387 HydrophobicContact CD1-CE2 4.48Å; Y329-F387 AromaticContact CD2-CD2 3.6Å; Y329-F387 HydrophobicContact CD2-CD2 3.6Å; Y329-F387 AromaticContact CD2-CE2 3.36Å; Y329-F387 HydrophobicContact CD2-CE2 3.36Å; Y329-F387 HydrophobicContact CD2-CZ 4.2Å; Y329-F387 HydrophobicContact CE2-CD2 4.07Å; Y329-F387 AromaticContact CE2-CE2 3.5Å; Y329-F387 HydrophobicContact CE2-CE2 3.5Å; Y329-F387 VanDerWaalsContact CE2-CE2 3.5Å; Y329-F387 HydrophobicContact CE2-CZ 4.38Å; Y329-F387 AromaticContact CG-CD2 3.59Å; Y329-F387 HydrophobicContact CG-CD2 3.59Å; Y329-F387 AromaticContact CG-CE2 3.89Å; Y329-F387 HydrophobicContact CG-CE2 3.89Å; Y329-F387 HydrophobicContact CG-CG 4.47Å; Y329-R390 HydrophobicContact CE1-CG 3.74Å; Y329-R390 PolarHBondContact OH-N 3.19Å; Y329-R390 PolarHBondContact OH-O 3.21Å
330	F	96	Very high	94.9	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.009	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	-64.6	-174.7	-171.1	-104.6	0	0	0	110.8	L302 I310 K312 K328 I361 R390 N394 L395	L302-F330 HydrophobicContact CD2-CD1 4.3Å; L302-F330 HydrophobicContact CD2-CD2 4.44Å; L302-F330 HydrophobicContact CD2-CG 4.22Å; I310-F330 HydrophobicContact CB-CB 4.3Å; I310-F330 HydrophobicContact CG2-CB 4.03Å; I310-F330 HydrophobicContact CG2-CD1 4.12Å; I310-F330 HydrophobicContact CG2-CG 4.43Å; I310-F330 VanDerWaalsContact O-CB 3.31Å; I310-F330 WeakPolarHBondContact O-CB 3.46Å; I310-F330 PolarHBondContact O-N 3.35Å; K312-F330 HydrophobicContact CB-CD2 4.39Å; K328-F330 PolarHBondContact O-N 3.33Å; F330-I361 HydrophobicContact CZ-CG2 4.23Å; F330-R390 PolarHBondContact O-NH2 3.43Å; F330-N394 HydrophobicContact CD1-CB 4.32Å; F330-N394 HydrophobicContact CD2-CB 4.1Å; F330-N394 HydrophobicContact CE1-CB 3.89Å; F330-N394 HydrophobicContact CE2-CB 3.64Å; F330-N394 HydrophobicContact CG-CB 4.43Å; F330-N394 HydrophobicContact CZ-CB 3.52Å; F330-N394 PolarHBondContact O-ND2 2.83Å; F330-L395 HydrophobicContact CD1-CD1 4.48Å; F330-L395 HydrophobicContact CD1-CG 4.43Å; F330-L395 HydrophobicContact CE1-CD1 4.17Å; F330-L395 HydrophobicContact CE1-CD2 3.74Å; F330-L395 HydrophobicContact CE1-CG 3.76Å; F330-L395 HydrophobicContact CZ-CD2 4.36Å
331	D	96.8	Very high	95.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	167.9	176	-93.7	-30	0	0	0	109.5	I310 R390 L392 K393 N394 L395	I310-D331 WeakPolarHBondContact CB-O 3.48Å; I310-D331 PolarHBondContact N-O 2.85Å; D331-R390 IonicContact OD1-CZ 3.17Å; D331-R390 IonicContact OD1-NH1 2.96Å; D331-R390 PolarHBondContact OD1-NH1 3.32Å; D331-R390 IonicContact OD1-NH2 3.04Å; D331-L392 HydrophobicContact CB-CD2 3.86Å; D331-L392 WeakPolarHBondContact OD1-CA 3.47Å; D331-K393 PolarHBondContact OD1-N 3.47Å; D331-K393 PolarHBondContact OD2-N 2.73Å; D331-N394 WeakPolarHBondContact OD2-CA 3.48Å; D331-N394 WeakPolarHBondContact OD2-CB 3.43Å; D331-N394 PolarHBondContact OD2-N 2.74Å; D331-L395 HydrophobicContact CB-CD1 4Å; D331-L395 HydrophobicContact CB-CG 4.31Å; D331-L395 WeakPolarHBondContact OD2-CB 3.44Å; D331-L395 PolarHBondContact OD2-N 2.86Å
332	T	97.2	Very high	95.8	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.012	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126	173.7	-55.7	0	0	0	0	110.3	D309 Y329 L392 F860	D309-T332 VanDerWaalsContact OD1-CG2 3.28Å; D309-T332 WeakPolarHBondContact OD1-CG2 3.2Å; D309-T332 PolarHBondContact OD1-OG1 3.42Å; Y329-T332 WeakPolarHBondContact CE2-OG1 3.32Å; Y329-T332 PolarHBondContact OH-N 3.34Å; Y329-T332 PolarHBondContact OH-OG1 2.68Å; T332-L392 WeakPolarHBondContact O-CD2 3.32Å; T332-F860 HydrophobicContact CG2-CD1 3.88Å; T332-F860 HydrophobicContact CG2-CE1 4.41Å; T332-F860 HydrophobicContact CG2-CG 4.49Å
333	V	96.1	Very high	95.7	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	12%	0.123	C	C	.	.			trans	-130.6	163.8	176.6	-56.7	0	0	0	0	109.8	Q304 G308 I310 V349 Y359 L392 L395	Q304-V333 VanDerWaalsContact NE2-CG2 3.34Å; Q304-V333 PolarHBondContact NE2-O 2.89Å; Q304-V333 VanDerWaalsContact NE2-O 3.12Å; G308-V333 CarbonylContact C-O 3.55Å; G308-V333 WeakPolarHBondContact CA-O 3.45Å; G308-V333 PolarHBondContact O-N 2.92Å; I310-V333 HydrophobicContact CD1-CG1 4.18Å; I310-V333 HydrophobicContact CD1-CG2 3.55Å; I310-V333 HydrophobicContact CG1-CG2 4.1Å; V333-V349 HydrophobicContact CG2-CG1 3.95Å; V333-V349 HydrophobicContact CG2-CG2 4.25Å; V333-Y359 HydrophobicContact CB-CE2 4.34Å; V333-Y359 HydrophobicContact CG1-CE1 4.38Å; V333-Y359 HydrophobicContact CG1-CE2 3.94Å; V333-L392 HydrophobicContact CG1-CD2 4.23Å; V333-L395 HydrophobicContact CG1-CD1 3.85Å
334	P	94.7	Very high	95.6	Very high	46 Å²	46	23 Å²	23	30%	0.299	13%	0.126	S	C	.	.	P	Polyproline II helix	trans	-53	144.7	174	-27.3	36.1	0	0	0	112.6	Q304 A336	Q304-P334 PolarHBondContact NE2-O 3.43Å; P334-A336 PolarHBondContact O-N 2.91Å
335	V	96.9	Very high	95.5	Very high	47 Å²	47	22.2 Å²	22.2	29%	0.285	13%	0.13	S	C	.	.	P	Polyproline II helix	trans	-57.8	122.8	-178	-177.3	0	0	0	0	110.5	V288 E306 S351 E352	V288-V335 HydrophobicContact CG2-CG1 4.06Å; E306-V335 WeakPolarHBondContact O-CG2 3.09Å; V335-S351 WeakPolarHBondContact O-CA 3.41Å; V335-E352 PolarHBondContact O-N 3.34Å
336	A	97.2	Very high	95.5	Very high	4 Å²	4	22.8 Å²	22.8	3%	0.033	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	144	-173.6	0	0	0	0	0	112.7	Q304 P334 M339 V349 A350	Q304-A336 VanDerWaalsContact OE1-CB 3.27Å; P334-A336 PolarHBondContact O-N 2.91Å; A336-M339 HydrophobicContact CB-CG 4.11Å; A336-V349 HydrophobicContact CB-CG1 3.65Å; A336-A350 CarbonylContact C-O 3.51Å; A336-A350 VanDerWaalsContact CA-O 3.27Å; A336-A350 WeakPolarHBondContact CA-O 3.46Å
337	S	96	Very high	95.6	Very high	41 Å²	41	21 Å²	21	29%	0.287	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-33.2	165.1	60.1	0	0	0	0	111.5	I14 A350	I14-S337 PolarHBondContact O-OG 3.01Å; S337-A350 PolarHBondContact N-O 2.81Å; S337-A350 PolarHBondContact OG-O 2.89Å; S337-A350 VanDerWaalsContact OG-O 3.08Å
338	A	96.3	Very high	95.7	Very high	14 Å²	14	21 Å²	21	12%	0.116	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	146.4	175.6	0	0	0	0	0	111.7	A17 A350	A17-A338 HydrophobicContact CB-CB 3.83Å; A338-A350 WeakPolarHBondContact O-CB 2.9Å; A338-A350 PolarHBondContact O-N 2.81Å
339	M	97.6	Very high	95.8	Very high	10 Å²	10	20.5 Å²	20.5	5%	0.049	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.7	172.2	-71.7	-169.3	-61.6	0	0	110.1	A291 L302 Q304 I310 A336 L347 F348	A291-M339 HydrophobicContact CB-CB 3.87Å; L302-M339 HydrophobicContact CB-CE 4.32Å; L302-M339 WeakPolarHBondContact O-CE 3.47Å; Q304-M339 HydrophobicContact CB-CE 3.77Å; Q304-M339 HydrophobicContact CB-SD 4.24Å; I310-M339 HydrophobicContact CD1-SD 3.82Å; I310-M339 HydrophobicContact CG1-SD 4.19Å; A336-M339 HydrophobicContact CB-CG 4.11Å; M339-L347 HydrophobicContact CB-CD1 4.17Å; M339-F348 WeakPolarHBondContact CA-O 3.46Å
340	C	96.5	Very high	95.8	Very high	4 Å²	4	20.2 Å²	20.2	3%	0.027	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	110.8	176.9	-76.3	0	0	0	0	110.5	H19 F348	H19-C340 HydrophobicContact CB-CB 4.14Å; C340-F348 HydrophobicContact CB-CB 4.25Å; C340-F348 PolarHBondContact N-O 2.73Å; C340-F348 PolarHBondContact O-N 3.35Å
341	V	95.9	Very high	95.8	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.018	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	119.8	171.5	-176.6	0	0	0	0	109.1	A291 H293 L302 L347 I361	A291-V341 HydrophobicContact CB-CG2 3.82Å; H293-V341 HydrophobicContact CB-CB 4.23Å; H293-V341 HydrophobicContact CB-CG1 3.89Å; H293-V341 VanDerWaalsContact CD2-CG1 3.49Å; H293-V341 WeakPolarHBondContact CD2-CG1 3.45Å; L302-V341 HydrophobicContact CD1-CG2 3.75Å; V341-L347 HydrophobicContact CG2-CD1 3.77Å; V341-I361 HydrophobicContact CG1-CD1 3.97Å
342	L	94.3	Very high	95.7	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	146.2	179.4	-57.4	173.5	0	0	0	110.5	H19 Q28 I30 P43 T344 G345 F346 L358	H19-L342 HydrophobicContact CB-CD2 3.73Å; Q28-L342 HydrophobicContact CB-CD2 4.16Å; I30-L342 HydrophobicContact CD1-CD1 4.25Å; I30-L342 HydrophobicContact CG1-CD2 4.15Å; P43-L342 HydrophobicContact CB-CD1 4.16Å; P43-L342 HydrophobicContact CG-CD1 3.45Å; P43-L342 VanDerWaalsContact CG-CD1 3.45Å; L342-T344 PolarHBondContact O-N 2.95Å; L342-T344 VanDerWaalsContact O-N 3.11Å; L342-G345 PolarHBondContact O-N 3.28Å; L342-F346 HydrophobicContact CB-CB 4.25Å; L342-F346 HydrophobicContact CD1-CB 3.96Å; L342-F346 HydrophobicContact CG-CB 4.49Å; L342-F346 PolarHBondContact N-O 2.85Å; L342-L358 HydrophobicContact CD1-CD1 4.49Å
343	K	90.8	Very high	95.6	Very high	130 Å²	130	27.4 Å²	27.4	57%	0.565	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.6	179.9	-71.1	175.9	-178.2	172.1	0	113.8	G345	K343-G345 PolarHBondContact O-N 3.15Å
344	T	91.1	Very high	95.5	Very high	82 Å²	82	27.7 Å²	27.7	50%	0.503	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	3.9	176.9	44.1	0	0	0	0	113.2	P45 L342 F346	P45-T344 HydrophobicContact CB-CG2 4.21Å; L342-T344 PolarHBondContact O-N 2.95Å; L342-T344 VanDerWaalsContact O-N 3.11Å; T344-F346 WeakPolarHBondContact OG1-CD2 3.49Å
345	G	92.4	Very high	95.6	Very high	27 Å²	27	27.6 Å²	27.6	28%	0.278	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	32.3	179.1	0	0	0	0	0	113.3	L342 K343 I361	L342-G345 PolarHBondContact O-N 3.28Å; K343-G345 PolarHBondContact O-N 3.15Å; G345-I361 WeakPolarHBondContact O-CB 2.98Å; G345-I361 PolarHBondContact O-N 3Å
346	F	95.6	Very high	95.6	Very high	11 Å²	11	25.4 Å²	25.4	5%	0.048	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	148.7	176.4	-69.6	-92.9	0	0	0	110.8	P45 L342 T344 L358 Y359 Q360 V398	P45-F346 HydrophobicContact CB-CE2 4.39Å; L342-F346 HydrophobicContact CB-CB 4.25Å; L342-F346 HydrophobicContact CD1-CB 3.96Å; L342-F346 HydrophobicContact CG-CB 4.49Å; L342-F346 PolarHBondContact N-O 2.85Å; T344-F346 WeakPolarHBondContact OG1-CD2 3.49Å; F346-L358 HydrophobicContact CB-CD1 4.11Å; F346-L358 HydrophobicContact CD1-CD1 4.48Å; F346-L358 HydrophobicContact CD1-CD2 3.89Å; F346-L358 HydrophobicContact CD1-CG 4.04Å; F346-L358 HydrophobicContact CE1-CD2 4.32Å; F346-Y359 CarbonylContact C-O 3.55Å; F346-Y359 VanDerWaalsContact CA-O 3.23Å; F346-Y359 WeakPolarHBondContact CA-O 2.96Å; F346-Q360 HydrophobicContact CD1-CB 4.1Å; F346-Q360 HydrophobicContact CE1-CB 4.01Å; F346-Q360 HydrophobicContact CE1-CG 4.34Å; F346-V398 HydrophobicContact CE1-CG2 4.35Å
347	L	97.3	Very high	95.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	112.8	172.6	174	65.5	0	0	0	108.6	L302 I310 M339 V341 V349 Y359 I361 L395	L302-L347 HydrophobicContact CD1-CD1 4.31Å; L302-L347 HydrophobicContact CD1-CD2 4.34Å; I310-L347 HydrophobicContact CD1-CD2 4.03Å; M339-L347 HydrophobicContact CB-CD1 4.17Å; V341-L347 HydrophobicContact CG2-CD1 3.77Å; L347-V349 HydrophobicContact CD2-CG2 4.01Å; L347-V349 HydrophobicContact CG-CG2 3.85Å; L347-Y359 PolarHBondContact N-O 2.81Å; L347-Y359 PolarHBondContact O-N 3.01Å; L347-I361 HydrophobicContact CB-CD1 4.32Å; L347-I361 HydrophobicContact CB-CG1 4.23Å; L347-L395 HydrophobicContact CB-CD2 4.3Å; L347-L395 HydrophobicContact CD2-CD1 3.8Å; L347-L395 HydrophobicContact CD2-CD2 4.03Å
348	F	97.8	Very high	95.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.9	170.5	179.1	-109	0	0	0	110	I14 A17 I30 V32 L41 M339 C340 A350 H356 L358 M401	I14-F348 HydrophobicContact CD1-CE1 4.29Å; I14-F348 HydrophobicContact CD1-CZ 3.91Å; A17-F348 HydrophobicContact CB-CD1 4.42Å; A17-F348 HydrophobicContact CB-CE1 4.13Å; I30-F348 HydrophobicContact CD1-CB 3.62Å; I30-F348 HydrophobicContact CD1-CD1 3.87Å; I30-F348 HydrophobicContact CD1-CD2 4.02Å; I30-F348 HydrophobicContact CD1-CG 3.57Å; I30-F348 HydrophobicContact CG2-CD1 3.99Å; I30-F348 HydrophobicContact CG2-CE1 4.09Å; V32-F348 HydrophobicContact CG1-CE1 4.26Å; L41-F348 HydrophobicContact CD1-CZ 4.25Å; M339-F348 WeakPolarHBondContact CA-O 3.46Å; C340-F348 HydrophobicContact CB-CB 4.25Å; C340-F348 PolarHBondContact N-O 2.73Å; C340-F348 PolarHBondContact O-N 3.35Å; F348-A350 HydrophobicContact CE1-CB 3.93Å; F348-A350 HydrophobicContact CZ-CB 4.49Å; F348-H356 HydrophobicContact CE2-CB 4.32Å; F348-H356 HydrophobicContact CZ-CB 4.27Å; F348-L358 HydrophobicContact CB-CD1 3.87Å; F348-L358 HydrophobicContact CD2-CD1 4.19Å; F348-M401 HydrophobicContact CE2-SD 3.93Å; F348-M401 HydrophobicContact CZ-SD 4.29Å
349	V	97.9	Very high	95.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	103.4	-178.5	-178	0	0	0	0	108.6	V333 A336 L347 S351 C357 Y359	V333-V349 HydrophobicContact CG2-CG1 3.95Å; V333-V349 HydrophobicContact CG2-CG2 4.25Å; A336-V349 HydrophobicContact CB-CG1 3.65Å; L347-V349 HydrophobicContact CD2-CG2 4.01Å; L347-V349 HydrophobicContact CG-CG2 3.85Å; V349-S351 PolarHBondContact O-N 2.76Å; V349-S351 VanDerWaalsContact O-N 3.16Å; V349-C357 PolarHBondContact N-O 2.97Å; V349-C357 PolarHBondContact O-N 2.83Å; V349-Y359 HydrophobicContact CB-CD2 4.35Å; V349-Y359 HydrophobicContact CB-CE2 4Å; V349-Y359 HydrophobicContact CG2-CD2 3.67Å; V349-Y359 HydrophobicContact CG2-CE2 3.65Å
350	A	97.5	Very high	95.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	88.5	174.2	0	0	0	0	0	109.4	I14 A17 A336 S337 A338 F348 E352	I14-A350 HydrophobicContact CB-CB 4.08Å; I14-A350 HydrophobicContact CD1-CB 4.15Å; I14-A350 HydrophobicContact CG2-CB 3.77Å; A17-A350 HydrophobicContact CB-CB 4.26Å; A336-A350 CarbonylContact C-O 3.51Å; A336-A350 VanDerWaalsContact CA-O 3.27Å; A336-A350 WeakPolarHBondContact CA-O 3.46Å; S337-A350 PolarHBondContact N-O 2.81Å; S337-A350 PolarHBondContact OG-O 2.89Å; S337-A350 VanDerWaalsContact OG-O 3.08Å; A338-A350 WeakPolarHBondContact O-CB 2.9Å; A338-A350 PolarHBondContact O-N 2.81Å; F348-A350 HydrophobicContact CE1-CB 3.93Å; F348-A350 HydrophobicContact CZ-CB 4.49Å; A350-E352 PolarHBondContact O-N 3.04Å
351	S	96.4	Very high	95.6	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	137.7	176.4	-48.9	0	0	0	0	111.8	V335 V349 F353 N355 H356	V335-S351 WeakPolarHBondContact O-CA 3.41Å; V349-S351 PolarHBondContact O-N 2.76Å; V349-S351 VanDerWaalsContact O-N 3.16Å; S351-F353 VanDerWaalsContact C-N 3.26Å; S351-F353 WeakPolarHBondContact CB-O 3.3Å; S351-F353 PolarHBondContact O-N 3.17Å; S351-N355 WeakPolarHBondContact CB-O 3.41Å; S351-N355 PolarHBondContact OG-O 3.11Å; S351-H356 PolarHBondContact N-ND1 3.35Å; S351-H356 PolarHBondContact O-CE1 2.8Å; S351-H356 VanDerWaalsContact O-CE1 3.24Å; S351-H356 PolarHBondContact O-ND1 2.79Å
352	E	94.8	Very high	95.5	Very high	84 Å²	84	30.1 Å²	30.1	39%	0.393	16%	0.163	S	C	.	.	S	Bend	trans	-58.4	-42.7	176.9	-173.9	-164.6	-173.7	0	0	110.8	V335 A350 R429	V335-E352 PolarHBondContact O-N 3.34Å; A350-E352 PolarHBondContact O-N 3.04Å; E352-R429 IonicContact OE2-NH1 3.53Å
353	F	95.5	Very high	95.4	Very high	69 Å²	69	35.7 Å²	35.7	30%	0.303	19%	0.188	S	C	.	.	S	Bend	trans	-135.4	150.6	177.7	-60.1	-61	0	0	0	110.2	S351 P406 R429	S351-F353 VanDerWaalsContact C-N 3.26Å; S351-F353 WeakPolarHBondContact CB-O 3.3Å; S351-F353 PolarHBondContact O-N 3.17Å; F353-P406 HydrophobicContact CD1-CB 4.41Å; F353-P406 HydrophobicContact CD1-CG 3.95Å; F353-P406 HydrophobicContact CE1-CG 4.38Å; F353-P406 HydrophobicContact CG-CG 4.5Å; F353-R429 HydrophobicContact CB-CB 4.45Å; F353-R429 HydrophobicContact CD2-CB 4.19Å; F353-R429 HydrophobicContact CG-CB 4.44Å
354	G	94.1	Very high	95.4	Very high	8 Å²	8	33.3 Å²	33.3	8%	0.082	18%	0.182	C	C	.	.	S	Bend	trans	76.5	-162.3	-176.3	0	0	0	0	0	113	S403 S405	G354-S403 WeakPolarHBondContact O-CB 3.31Å; G354-S403 PolarHBondContact O-OG 2.99Å; G354-S405 PolarHBondContact N-O 2.89Å
355	N	96	Very high	95.1	Very high	43 Å²	43	29.7 Å²	29.7	23%	0.23	16%	0.16	C	C	.	.			trans	-69.3	147	-173.8	-61.3	-15.8	0	0	0	112	S351 V400 M401 E402 S403 R436	S351-N355 WeakPolarHBondContact CB-O 3.41Å; S351-N355 PolarHBondContact OG-O 3.11Å; N355-V400 HydrophobicContact CB-CG1 3.63Å; N355-M401 CarbonylContact C-O 3.56Å; N355-M401 VanDerWaalsContact CA-O 3.3Å; N355-M401 WeakPolarHBondContact CA-O 3.31Å; N355-M401 WeakPolarHBondContact CB-O 3.12Å; N355-E402 WeakPolarHBondContact OD1-CA 3.45Å; N355-S403 PolarHBondContact OD1-N 3.11Å; N355-S403 PolarHBondContact OD1-O 3.23Å; N355-R436 PolarHBondContact OD1-NH1 3Å; N355-R436 PolarHBondContact OD1-NH2 2.84Å
356	H	96.6	Very high	94.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	147.9	173	-43.3	-65.6	0	0	0	109.5	T12 I14 F348 S351 V400 M401	T12-H356 PolarHBondContact O-NE2 3.21Å; I14-H356 HydrophobicContact CD1-CB 4.46Å; I14-H356 VanDerWaalsContact CD1-CD2 3.5Å; I14-H356 WeakPolarHBondContact CD1-CD2 3.48Å; F348-H356 HydrophobicContact CE2-CB 4.32Å; F348-H356 HydrophobicContact CZ-CB 4.27Å; S351-H356 PolarHBondContact N-ND1 3.35Å; S351-H356 PolarHBondContact O-CE1 2.8Å; S351-H356 VanDerWaalsContact O-CE1 3.24Å; S351-H356 PolarHBondContact O-ND1 2.79Å; H356-V400 CarbonylContact O-C 3.54Å; H356-M401 HydrophobicContact CB-CB 4.21Å; H356-M401 PolarHBondContact N-O 2.85Å; H356-M401 PolarHBondContact O-N 2.83Å
357	C	96.5	Very high	93.8	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.4	-171.6	-56.7	0	0	0	0	110.8	V349 Y359 D399	V349-C357 PolarHBondContact N-O 2.97Å; V349-C357 PolarHBondContact O-N 2.83Å; C357-Y359 HydrophobicContact CB-CD2 4.14Å; C357-Y359 HydrophobicContact CB-CE2 3.39Å; C357-D399 WeakPolarHBondContact CA-O 3.33Å
358	L	97.1	Very high	93.1	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.3	166.5	-172.9	74.3	0	0	0	108.5	P43 G48 V50 L342 F346 F348 V398 D399	P43-L358 HydrophobicContact CB-CD2 4.03Å; G48-L358 VanDerWaalsContact O-CD2 3.28Å; G48-L358 WeakPolarHBondContact O-CD2 3.25Å; V50-L358 HydrophobicContact CG2-CB 4.08Å; V50-L358 HydrophobicContact CG2-CD2 3.83Å; V50-L358 HydrophobicContact CG2-CG 4.4Å; L342-L358 HydrophobicContact CD1-CD1 4.49Å; F346-L358 HydrophobicContact CB-CD1 4.11Å; F346-L358 HydrophobicContact CD1-CD1 4.48Å; F346-L358 HydrophobicContact CD1-CD2 3.89Å; F346-L358 HydrophobicContact CD1-CG 4.04Å; F346-L358 HydrophobicContact CE1-CD2 4.32Å; F348-L358 HydrophobicContact CB-CD1 3.87Å; F348-L358 HydrophobicContact CD2-CD1 4.19Å; L358-V398 PolarHBondContact O-N 2.84Å; L358-D399 HydrophobicContact CB-CB 4.25Å; L358-D399 PolarHBondContact N-O 3.23Å; L358-D399 PolarHBondContact O-N 3.02Å
359	Y	97.3	Very high	92.6	Very high	7 Å²	7	49.5 Å²	49.5	3%	0.027	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	144.9	175.7	-59.7	-89.3	0	0	0	110.6	V333 F346 L347 V349 C357 L392 L395 I396 E397	V333-Y359 HydrophobicContact CB-CE2 4.34Å; V333-Y359 HydrophobicContact CG1-CE1 4.38Å; V333-Y359 HydrophobicContact CG1-CE2 3.94Å; F346-Y359 CarbonylContact C-O 3.55Å; F346-Y359 VanDerWaalsContact CA-O 3.23Å; F346-Y359 WeakPolarHBondContact CA-O 2.96Å; L347-Y359 PolarHBondContact N-O 2.81Å; L347-Y359 PolarHBondContact O-N 3.01Å; V349-Y359 HydrophobicContact CB-CD2 4.35Å; V349-Y359 HydrophobicContact CB-CE2 4Å; V349-Y359 HydrophobicContact CG2-CD2 3.67Å; V349-Y359 HydrophobicContact CG2-CE2 3.65Å; C357-Y359 HydrophobicContact CB-CD2 4.14Å; C357-Y359 HydrophobicContact CB-CE2 3.39Å; Y359-L392 HydrophobicContact CD1-CD1 4.29Å; Y359-L392 HydrophobicContact CE1-CD1 3.81Å; Y359-L395 HydrophobicContact CD1-CB 4.02Å; Y359-L395 HydrophobicContact CG-CB 4.25Å; Y359-L395 HydrophobicContact CG-CD1 4.28Å; Y359-I396 CarbonylContact C-O 3.6Å; Y359-I396 WeakPolarHBondContact CA-O 3.42Å; Y359-E397 HydrophobicContact CD1-CB 3.98Å; Y359-E397 HydrophobicContact CE1-CB 3.84Å; Y359-E397 HydrophobicContact CE1-CG 4.16Å
360	Q	96.6	Very high	92.2	Very high	89 Å²	89	51 Å²	51	42%	0.416	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.5	164	-177.4	176.5	15.5	0	0	109	F346 A362 L395 I396 V398	F346-Q360 HydrophobicContact CD1-CB 4.1Å; F346-Q360 HydrophobicContact CE1-CB 4.01Å; F346-Q360 HydrophobicContact CE1-CG 4.34Å; Q360-A362 PolarHBondContact O-N 2.79Å; Q360-L395 WeakPolarHBondContact O-CA 3.22Å; Q360-I396 PolarHBondContact N-O 2.85Å; Q360-I396 PolarHBondContact O-N 3.46Å; Q360-V398 HydrophobicContact CB-CG2 3.6Å
361	I	95.6	Very high	91.9	Very high	26 Å²	26	54.6 Å²	54.6	13%	0.133	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	100.4	175.8	-58.9	170.8	0	0	0	107.5	F330 V341 G345 L347 H363 L364 N394 L395	F330-I361 HydrophobicContact CZ-CG2 4.23Å; V341-I361 HydrophobicContact CG1-CD1 3.97Å; G345-I361 WeakPolarHBondContact O-CB 2.98Å; G345-I361 PolarHBondContact O-N 3Å; L347-I361 HydrophobicContact CB-CD1 4.32Å; L347-I361 HydrophobicContact CB-CG1 4.23Å; I361-H363 WeakPolarHBondContact CG2-O 3.22Å; I361-L364 HydrophobicContact CG2-CD2 4.2Å; I361-N394 CarbonylContact C-O 3.57Å; I361-L395 HydrophobicContact CG1-CD2 3.84Å
362	A	93.8	Very high	91.7	Very high	42 Å²	42	57.7 Å²	57.7	35%	0.347	31%	0.305	S	S	.	.			trans	-75.8	-40.2	177.7	0	0	0	0	0	111.8	Q360 N394 I396	Q360-A362 PolarHBondContact O-N 2.79Å; A362-N394 PolarHBondContact N-O 2.92Å; A362-I396 HydrophobicContact CB-CD1 3.81Å; A362-I396 HydrophobicContact CB-CG1 4.08Å
363	H	93.1	Very high	91.7	Very high	118 Å²	118	54.4 Å²	54.4	55%	0.546	29%	0.289	S	S	.	.			trans	-136.6	147.2	-178.2	-56.7	-69.7	0	0	0	110.6	I361 G365 K393 N394	I361-H363 WeakPolarHBondContact CG2-O 3.22Å; H363-G365 VanDerWaalsContact C-N 3.28Å; H363-K393 PolarHBondContact CD2-O 3.08Å; H363-N394 WeakPolarHBondContact CB-OD1 3.49Å; H363-N394 PolarHBondContact N-O 3.04Å; H363-N394 WeakPolarHBondContact O-CB 3.26Å
364	L	90.1	Very high	91.6	Very high	81 Å²	81	51.4 Å²	51.4	42%	0.424	28%	0.277	S	S	.	.			trans	-84.8	0.5	177.6	-67.8	175.1	0	0	0	113.3	F300 K312 I361	F300-L364 HydrophobicContact CE1-CD2 4.05Å; F300-L364 HydrophobicContact CZ-CD2 3.96Å; K312-L364 WeakPolarHBondContact CD-O 3.44Å; K312-L364 PolarHBondContact NZ-O 2.85Å; I361-L364 HydrophobicContact CG2-CD2 4.2Å
365	G	86.1	Confident	91.6	Very high	5 Å²	5	52.4 Å²	52.4	5%	0.052	28%	0.283	C	S	.	.	S	Bend	trans	73.8	20.3	-179.6	0	0	0	0	0	115	K328 H363	K328-G365 VanDerWaalsContact CD-O 3.3Å; K328-G365 WeakPolarHBondContact CD-O 2.96Å; K328-G365 WeakPolarHBondContact CE-O 3.33Å; K328-G365 PolarHBondContact NZ-O 2.77Å; H363-G365 VanDerWaalsContact C-N 3.28Å
366	D	83.2	Confident	91.3	Very high	78 Å²	78	53.6 Å²	53.6	42%	0.417	30%	0.299	S	S	.	.			trans	-88.7	-42.6	-179.1	-64	-47.2	0	0	0	112.4	K312 D368	K312-D366 IonicContact NZ-OD1 3.96Å; K312-D366 PolarHBondContact NZ-OD1 2.89Å; K312-D366 IonicContact NZ-OD2 2.87Å; K312-D366 PolarHBondContact NZ-OD2 2.88Å; D366-D368 PolarHBondContact O-N 2.99Å
367	D	76.5	Confident	91.1	Very high	172 Å²	172	57.8 Å²	57.8	92%	0.92	32%	0.32	S	S	*	.	S	Bend	trans	-95.9	50.6	-172.1	-60.6	-44.2	0	0	0	113.5
368	D	83.6	Confident	90.6	Very high	29 Å²	29	63.6 Å²	63.6	16%	0.155	36%	0.357	C	S	.	.	S	Bend	trans	-140	162.4	175.6	68	0.9	0	0	0	115.7	K328 D366 E370 K393	K328-D368 WeakPolarHBondContact CE-OD1 3.26Å; K328-D368 IonicContact NZ-OD1 2.69Å; K328-D368 PolarHBondContact NZ-OD1 2.92Å; D366-D368 PolarHBondContact O-N 2.99Å; D368-E370 PolarHBondContact O-N 3.44Å; D368-K393 IonicContact OD2-NZ 3.35Å; D368-K393 PolarHBondContact OD2-NZ 3.37Å
369	D	86.4	Confident	90.1	Very high	175 Å²	175	66.6 Å²	66.6	94%	0.936	37%	0.373	S	S	*	.	S	Bend	trans	-72.3	10.1	-176.7	-56.9	-41.8	0	0	0	113.6
370	E	89.4	Confident	89.4	Confident	32 Å²	32	73.6 Å²	73.6	15%	0.15	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-76.3	136.2	179.1	-65.1	-154.6	134.5	0	0	111.4	K328 Y329 D368 E372 R390	K328-E370 WeakPolarHBondContact CE-O 3.25Å; Y329-E370 VanDerWaalsContact O-OE2 3.12Å; D368-E370 PolarHBondContact O-N 3.44Å; E370-E372 PolarHBondContact O-N 3.21Å; E370-R390 VanDerWaalsContact CD-NE 3.34Å; E370-R390 VanDerWaalsContact CD-NH2 3.28Å; E370-R390 WeakPolarHBondContact OE1-CD 3.27Å; E370-R390 IonicContact OE1-CZ 3.35Å; E370-R390 VanDerWaalsContact OE1-CZ 3.31Å; E370-R390 IonicContact OE1-NE 3.07Å; E370-R390 PolarHBondContact OE1-NE 3.39Å; E370-R390 IonicContact OE1-NH2 2.92Å; E370-R390 PolarHBondContact OE1-NH2 3.02Å; E370-R390 IonicContact OE2-CZ 2.73Å; E370-R390 IonicContact OE2-NE 2.89Å; E370-R390 IonicContact OE2-NH2 2.82Å; E370-R390 PolarHBondContact OE2-NH2 3.26Å
371	P	91.3	Very high	88.4	Confident	76 Å²	76	79.3 Å²	79.3	49%	0.494	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-64.9	132.7	179.9	27.8	-34.1	0	0	0	110.6	F373	P371-F373 HydrophobicContact CB-CE1 4.21Å; P371-F373 HydrophobicContact CB-CZ 4.2Å; P371-F373 HydrophobicContact CG-CE1 4.26Å; P371-F373 HydrophobicContact CG-CE2 4.48Å; P371-F373 HydrophobicContact CG-CZ 3.82Å
372	E	92.5	Very high	87.5	Confident	66 Å²	66	81.4 Å²	81.4	31%	0.308	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.4	167.5	-174.5	174.2	-119.5	0	0	108.6	K326 K328 E370 M377	K326-E372 HydrophobicContact CB-CG 4.02Å; K326-E372 WeakPolarHBondContact CD-OE2 3.34Å; K326-E372 HydrophobicContact CG-CG 4.37Å; K328-E372 HydrophobicContact CB-CG 4.36Å; K328-E372 HydrophobicContact CD-CB 4.39Å; E370-E372 PolarHBondContact O-N 3.21Å; E372-M377 VanDerWaalsContact O-CE 3.31Å; E372-M377 WeakPolarHBondContact O-CE 3.48Å
373	F	94.2	Very high	87.1	Confident	14 Å²	14	83.5 Å²	83.5	6%	0.061	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.9	-179.4	-51.4	-72.9	0	0	0	109.1	P272 K326 L327 P371 F385 Y386 F387	P272-F373 HydrophobicContact CB-CD2 3.9Å; P272-F373 HydrophobicContact CB-CE2 3.81Å; P272-F373 HydrophobicContact CB-CG 4.49Å; P272-F373 HydrophobicContact CB-CZ 4.32Å; P272-F373 HydrophobicContact CG-CB 4.27Å; P272-F373 HydrophobicContact CG-CD2 3.35Å; P272-F373 HydrophobicContact CG-CE2 3.8Å; P272-F373 HydrophobicContact CG-CG 3.87Å; K326-F373 CarbonylContact C-O 3.55Å; K326-F373 VanDerWaalsContact CA-O 3.31Å; K326-F373 WeakPolarHBondContact CA-O 3.21Å; L327-F373 HydrophobicContact CB-CB 4.5Å; L327-F373 PolarHBondContact N-O 3.02Å; L327-F373 WeakPolarHBondContact O-CD2 3.31Å; L327-F373 PolarHBondContact O-N 2.87Å; P371-F373 HydrophobicContact CB-CE1 4.21Å; P371-F373 HydrophobicContact CB-CZ 4.2Å; P371-F373 HydrophobicContact CG-CE1 4.26Å; P371-F373 HydrophobicContact CG-CE2 4.48Å; P371-F373 HydrophobicContact CG-CZ 3.82Å; F373-F385 HydrophobicContact CB-CB 4.42Å; F373-F385 HydrophobicContact CB-CD1 4.33Å; F373-F385 HydrophobicContact CB-CD2 3.77Å; F373-F385 HydrophobicContact CB-CE2 4.01Å; F373-F385 HydrophobicContact CB-CG 3.93Å; F373-F385 HydrophobicContact CB-CZ 4.41Å; F373-F385 HydrophobicContact CD1-CB 3.52Å; F373-F385 AromaticContact CD1-CD1 3.66Å; F373-F385 HydrophobicContact CD1-CD1 3.66Å; F373-F385 HydrophobicContact CD1-CD2 4.31Å; F373-F385 HydrophobicContact CD1-CE1 4.44Å; F373-F385 AromaticContact CD1-CG 3.58Å; F373-F385 HydrophobicContact CD1-CG 3.58Å; F373-F385 HydrophobicContact CE1-CB 3.85Å; F373-F385 HydrophobicContact CE1-CD1 4.44Å; F373-F385 HydrophobicContact CE1-CG 4.35Å; F373-F385 HydrophobicContact CG-CB 3.93Å; F373-F385 HydrophobicContact CG-CD1 4.34Å; F373-F385 HydrophobicContact CG-CD2 4.21Å; F373-F385 AromaticContact CG-CG 3.92Å; F373-F385 HydrophobicContact CG-CG 3.92Å; F373-Y386 WeakPolarHBondContact CZ-O 3.29Å; F373-F387 HydrophobicContact CE2-CB 3.96Å; F373-F387 HydrophobicContact CZ-CB 3.85Å
374	S	93.5	Very high	86.9	Confident	7 Å²	7	79 Å²	79	5%	0.049	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	143.5	179.2	166.7	0	0	0	0	111.2	E324 I325 A376 M377 F385	E324-S374 PolarHBondContact OE2-OG 3.04Å; I325-S374 WeakPolarHBondContact O-CA 3.17Å; S374-A376 PolarHBondContact O-N 2.94Å; S374-A376 PolarHBondContact OG-N 3.19Å; S374-M377 WeakPolarHBondContact O-CB 3.49Å; S374-M377 PolarHBondContact O-N 3.07Å; S374-M377 VanDerWaalsContact O-N 3.12Å; S374-F385 WeakPolarHBondContact O-CZ 3.16Å
375	S	93.4	Very high	87.1	Confident	29 Å²	29	76 Å²	76	20%	0.203	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-19.2	168.4	59.2	0	0	0	0	114.1	I267 R268 E324 I325 M377	I267-S375 VanDerWaalsContact CG2-OG 3.26Å; I267-S375 WeakPolarHBondContact CG2-OG 3.19Å; R268-S375 VanDerWaalsContact O-CB 3.28Å; R268-S375 WeakPolarHBondContact O-CB 3.49Å; E324-S375 WeakPolarHBondContact CA-OG 3.41Å; I325-S375 PolarHBondContact N-OG 2.76Å; I325-S375 PolarHBondContact O-N 2.67Å; S375-M377 VanDerWaalsContact C-N 3.34Å
376	A	91.5	Very high	87.4	Confident	68 Å²	68	81.3 Å²	81.3	56%	0.562	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-11	177.3	0	0	0	0	0	113.4	E324 S374	E324-A376 HydrophobicContact CB-CB 4.27Å; E324-A376 WeakPolarHBondContact OE2-CB 3.37Å; S374-A376 PolarHBondContact O-N 2.94Å; S374-A376 PolarHBondContact OG-N 3.19Å
377	M	91.2	Very high	87.9	Confident	89 Å²	89	77.9 Å²	77.9	44%	0.438	43%	0.431	S	S	.	.	S	Bend	trans	-72.3	129.1	176.7	-65.2	-176.4	-179.4	0	0	110	E372 S374 S375 L379 F385	E372-M377 VanDerWaalsContact O-CE 3.31Å; E372-M377 WeakPolarHBondContact O-CE 3.48Å; S374-M377 WeakPolarHBondContact O-CB 3.49Å; S374-M377 PolarHBondContact O-N 3.07Å; S374-M377 VanDerWaalsContact O-N 3.12Å; S375-M377 VanDerWaalsContact C-N 3.34Å; M377-L379 PolarHBondContact O-N 2.96Å; M377-F385 HydrophobicContact CB-CE1 4.17Å; M377-F385 HydrophobicContact CB-CZ 4.13Å; M377-F385 HydrophobicContact SD-CE1 4.18Å
378	P	85.9	Confident	88.7	Confident	131 Å²	131	72.4 Å²	72.4	85%	0.851	41%	0.41	S	S	*	.			trans	-68.6	121.2	178.5	27.7	-32.7	0	0	0	110.1
379	L	86.3	Confident	89.1	Confident	65 Å²	65	71.6 Å²	71.6	34%	0.34	41%	0.406	S	S	.	.			trans	-118.3	145	171.3	-79.9	163.7	0	0	0	109.2	P270 M377 D383 F385	P270-L379 HydrophobicContact CG-CD1 3.79Å; M377-L379 PolarHBondContact O-N 2.96Å; L379-D383 HydrophobicContact CD2-CB 4.04Å; L379-F385 HydrophobicContact CD1-CD1 3.98Å; L379-F385 HydrophobicContact CD1-CD2 4.13Å; L379-F385 HydrophobicContact CD1-CE1 3.47Å; L379-F385 VanDerWaalsContact CD1-CE1 3.47Å; L379-F385 HydrophobicContact CD1-CE2 3.65Å; L379-F385 HydrophobicContact CD1-CG 4.29Å; L379-F385 HydrophobicContact CD1-CZ 3.29Å; L379-F385 HydrophobicContact CD2-CD1 4.27Å; L379-F385 HydrophobicContact CD2-CE1 4.08Å; L379-F385 HydrophobicContact CG-CD1 4.48Å; L379-F385 HydrophobicContact CG-CE1 3.87Å; L379-F385 HydrophobicContact CG-CZ 4.06Å
380	E	82.9	Confident	89.5	Confident	154 Å²	154	65.2 Å²	65.2	72%	0.72	37%	0.369	S	S	*	.			trans	-73.2	154.3	170.1	-62.1	-170.9	178.7	0	0	110.3	G382 D383	E380-G382 PolarHBondContact O-N 3.27Å; E380-G382 VanDerWaalsContact O-N 3.16Å; E380-D383 WeakPolarHBondContact O-CB 3.43Å; E380-D383 PolarHBondContact O-N 3.33Å
381	E	75.6	Confident	89.7	Confident	208 Å²	208	68.1 Å²	68.1	97%	0.972	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	116.6	-179.6	-162.3	175	-162.4	0	0	109.9
382	G	76.9	Confident	89.9	Confident	71 Å²	71	67.7 Å²	67.7	73%	0.732	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.2	-12.7	-174.9	0	0	0	0	0	114.7	E380	E380-G382 PolarHBondContact O-N 3.27Å; E380-G382 VanDerWaalsContact O-N 3.16Å
383	D	84.9	Confident	90	Very high	86 Å²	86	69 Å²	69	46%	0.46	39%	0.388	S	S	.	.			trans	-81	155	171.9	-76.1	-13	0	0	0	111.5	L379 E380	L379-D383 HydrophobicContact CD2-CB 4.04Å; E380-D383 WeakPolarHBondContact O-CB 3.43Å; E380-D383 PolarHBondContact O-N 3.33Å
384	T	89.7	Confident	90	Very high	23 Å²	23	68.4 Å²	68.4	14%	0.141	39%	0.386	C	S	.	.			trans	-136.3	165.8	176.5	-168.7	0	0	0	0	111	I271 Q273 Y386	I271-T384 PolarHBondContact O-OG1 2.81Å; Q273-T384 HydrophobicContact CB-CG2 4.23Å; Q273-T384 HydrophobicContact CG-CG2 3.85Å; T384-Y386 HydrophobicContact CG2-CE1 4.14Å; T384-Y386 HydrophobicContact CG2-CE2 4.15Å; T384-Y386 WeakPolarHBondContact O-CD2 3.4Å; T384-Y386 WeakPolarHBondContact O-CE2 3.44Å
385	F	93.6	Very high	90.2	Very high	17 Å²	17	68.2 Å²	68.2	8%	0.075	39%	0.385	C	S	.	.			trans	-76.6	147.6	172.9	-62.9	-56.6	0	0	0	111.2	P270 P272 Q273 F373 S374 M377 L379	P270-F385 HydrophobicContact CB-CD2 4.3Å; P270-F385 HydrophobicContact CG-CE2 4.32Å; P272-F385 CarbonylContact C-O 3.48Å; P272-F385 WeakPolarHBondContact CA-O 3.19Å; P272-F385 HydrophobicContact CB-CB 3.85Å; P272-F385 HydrophobicContact CG-CB 4Å; P272-F385 HydrophobicContact CG-CD2 4.5Å; Q273-F385 PolarHBondContact N-O 2.85Å; F373-F385 HydrophobicContact CB-CB 4.42Å; F373-F385 HydrophobicContact CB-CD1 4.33Å; F373-F385 HydrophobicContact CB-CD2 3.77Å; F373-F385 HydrophobicContact CB-CE2 4.01Å; F373-F385 HydrophobicContact CB-CG 3.93Å; F373-F385 HydrophobicContact CB-CZ 4.41Å; F373-F385 HydrophobicContact CD1-CB 3.52Å; F373-F385 AromaticContact CD1-CD1 3.66Å; F373-F385 HydrophobicContact CD1-CD1 3.66Å; F373-F385 HydrophobicContact CD1-CD2 4.31Å; F373-F385 HydrophobicContact CD1-CE1 4.44Å; F373-F385 AromaticContact CD1-CG 3.58Å; F373-F385 HydrophobicContact CD1-CG 3.58Å; F373-F385 HydrophobicContact CE1-CB 3.85Å; F373-F385 HydrophobicContact CE1-CD1 4.44Å; F373-F385 HydrophobicContact CE1-CG 4.35Å; F373-F385 HydrophobicContact CG-CB 3.93Å; F373-F385 HydrophobicContact CG-CD1 4.34Å; F373-F385 HydrophobicContact CG-CD2 4.21Å; F373-F385 AromaticContact CG-CG 3.92Å; F373-F385 HydrophobicContact CG-CG 3.92Å; S374-F385 WeakPolarHBondContact O-CZ 3.16Å; M377-F385 HydrophobicContact CB-CE1 4.17Å; M377-F385 HydrophobicContact CB-CZ 4.13Å; M377-F385 HydrophobicContact SD-CE1 4.18Å; L379-F385 HydrophobicContact CD1-CD1 3.98Å; L379-F385 HydrophobicContact CD1-CD2 4.13Å; L379-F385 HydrophobicContact CD1-CE1 3.47Å; L379-F385 VanDerWaalsContact CD1-CE1 3.47Å; L379-F385 HydrophobicContact CD1-CE2 3.65Å; L379-F385 HydrophobicContact CD1-CG 4.29Å; L379-F385 HydrophobicContact CD1-CZ 3.29Å; L379-F385 HydrophobicContact CD2-CD1 4.27Å; L379-F385 HydrophobicContact CD2-CE1 4.08Å; L379-F385 HydrophobicContact CG-CD1 4.48Å; L379-F385 HydrophobicContact CG-CE1 3.87Å; L379-F385 HydrophobicContact CG-CZ 4.06Å
386	Y	92.8	Very high	90.3	Very high	118 Å²	118	71.2 Å²	71.2	46%	0.463	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.6	177.1	-64.9	-81.5	0	0	0	111.9	Q273 F373 T384	Q273-Y386 HydrophobicContact CB-CD1 4.38Å; Q273-Y386 HydrophobicContact CB-CE1 4.42Å; Q273-Y386 VanDerWaalsContact O-CA 3.28Å; Q273-Y386 WeakPolarHBondContact O-CA 3.38Å; F373-Y386 WeakPolarHBondContact CZ-O 3.29Å; T384-Y386 HydrophobicContact CG2-CE1 4.14Å; T384-Y386 HydrophobicContact CG2-CE2 4.15Å; T384-Y386 WeakPolarHBondContact O-CD2 3.4Å; T384-Y386 WeakPolarHBondContact O-CE2 3.44Å
387	F	94.3	Very high	90.5	Very high	5 Å²	5	73 Å²	73	2%	0.022	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	158.7	173.2	76.9	-77.3	0	0	0	111.3	P272 Q273 R274 R275 D309 F311 Y329 F373 P389	P272-F387 HydrophobicContact CB-CD1 3.89Å; P272-F387 WeakPolarHBondContact O-CE1 3.18Å; Q273-F387 VanDerWaalsContact C-CE1 3.46Å; Q273-F387 WeakPolarHBondContact O-CD1 3.34Å; Q273-F387 PolarHBondContact O-N 2.81Å; R274-F387 HydrophobicContact CB-CE1 4.49Å; R274-F387 HydrophobicContact CG-CE1 3.83Å; R274-F387 HydrophobicContact CG-CE2 4.2Å; R274-F387 HydrophobicContact CG-CZ 3.49Å; R274-F387 VanDerWaalsContact CG-CZ 3.49Å; R275-F387 WeakPolarHBondContact CB-O 2.99Å; R275-F387 PolarHBondContact N-O 2.87Å; D309-F387 HydrophobicContact CB-CE2 4.49Å; D309-F387 HydrophobicContact CB-CZ 4.01Å; F311-F387 HydrophobicContact CE1-CD1 4.27Å; F311-F387 HydrophobicContact CE1-CE1 4.4Å; F311-F387 HydrophobicContact CE2-CE1 4.4Å; F311-F387 AromaticContact CZ-CD1 3.84Å; F311-F387 HydrophobicContact CZ-CD1 3.84Å; F311-F387 AromaticContact CZ-CE1 3.56Å; F311-F387 HydrophobicContact CZ-CE1 3.56Å; F311-F387 HydrophobicContact CZ-CG 4.47Å; F311-F387 AromaticContact CZ-CZ 3.94Å; F311-F387 HydrophobicContact CZ-CZ 3.94Å; Y329-F387 HydrophobicContact CD1-CD2 4.1Å; Y329-F387 HydrophobicContact CD1-CE2 4.48Å; Y329-F387 AromaticContact CD2-CD2 3.6Å; Y329-F387 HydrophobicContact CD2-CD2 3.6Å; Y329-F387 AromaticContact CD2-CE2 3.36Å; Y329-F387 HydrophobicContact CD2-CE2 3.36Å; Y329-F387 HydrophobicContact CD2-CZ 4.2Å; Y329-F387 HydrophobicContact CE2-CD2 4.07Å; Y329-F387 AromaticContact CE2-CE2 3.5Å; Y329-F387 HydrophobicContact CE2-CE2 3.5Å; Y329-F387 VanDerWaalsContact CE2-CE2 3.5Å; Y329-F387 HydrophobicContact CE2-CZ 4.38Å; Y329-F387 AromaticContact CG-CD2 3.59Å; Y329-F387 HydrophobicContact CG-CD2 3.59Å; Y329-F387 AromaticContact CG-CE2 3.89Å; Y329-F387 HydrophobicContact CG-CE2 3.89Å; Y329-F387 HydrophobicContact CG-CG 4.47Å; F373-F387 HydrophobicContact CE2-CB 3.96Å; F373-F387 HydrophobicContact CZ-CB 3.85Å; F387-P389 HydrophobicContact CE2-CB 4.19Å
388	A	92.5	Very high	90.6	Very high	57 Å²	57	70.8 Å²	70.8	47%	0.471	39%	0.385	S	S	.	.			trans	-102.5	115.8	174.8	0	0	0	0	0	109
389	P	93.5	Very high	91	Very high	13 Å²	13	65.6 Å²	65.6	8%	0.084	35%	0.351	C	S	.	.			trans	-65	144.5	176.7	28.6	-35.3	0	0	0	110.5	R274 F387 L855 F860	R274-P389 HydrophobicContact CG-CG 4.28Å; F387-P389 HydrophobicContact CE2-CB 4.19Å; P389-L855 HydrophobicContact CB-CD1 4.34Å; P389-L855 HydrophobicContact CG-CD1 3.59Å; P389-F860 HydrophobicContact CB-CD1 3.92Å; P389-F860 HydrophobicContact CB-CE1 3.91Å
390	R	93.1	Very high	91.4	Very high	40 Å²	40	64.6 Å²	64.6	15%	0.151	35%	0.347	C	S	.	.			trans	-141.9	162.9	-179.4	55	151.9	178.7	65.4	13.1	111.5	Y329 F330 D331 E370 N394 F860	Y329-R390 HydrophobicContact CE1-CG 3.74Å; Y329-R390 PolarHBondContact OH-N 3.19Å; Y329-R390 PolarHBondContact OH-O 3.21Å; F330-R390 PolarHBondContact O-NH2 3.43Å; D331-R390 IonicContact OD1-CZ 3.17Å; D331-R390 IonicContact OD1-NH1 2.96Å; D331-R390 PolarHBondContact OD1-NH1 3.32Å; D331-R390 IonicContact OD1-NH2 3.04Å; E370-R390 VanDerWaalsContact CD-NE 3.34Å; E370-R390 VanDerWaalsContact CD-NH2 3.28Å; E370-R390 WeakPolarHBondContact OE1-CD 3.27Å; E370-R390 IonicContact OE1-CZ 3.35Å; E370-R390 VanDerWaalsContact OE1-CZ 3.31Å; E370-R390 IonicContact OE1-NE 3.07Å; E370-R390 PolarHBondContact OE1-NE 3.39Å; E370-R390 IonicContact OE1-NH2 2.92Å; E370-R390 PolarHBondContact OE1-NH2 3.02Å; E370-R390 IonicContact OE2-CZ 2.73Å; E370-R390 IonicContact OE2-NE 2.89Å; E370-R390 IonicContact OE2-NH2 2.82Å; E370-R390 PolarHBondContact OE2-NH2 3.26Å; R390-N394 PolarHBondContact NH2-ND2 2.71Å; R390-F860 VanDerWaalsContact C-CZ 3.49Å; R390-F860 WeakPolarHBondContact O-CE1 3.5Å; R390-F860 WeakPolarHBondContact O-CZ 3.33Å
391	P	94	Very high	91.8	Very high	94 Å²	94	58.6 Å²	58.6	61%	0.61	32%	0.319	S	S	*	.	S	Bend	trans	-56.6	163.3	171.8	-25	35.4	0	0	0	112.4	K393	P391-K393 PolarHBondContact O-N 2.92Å
392	L	95	Very high	92.7	Very high	67 Å²	67	52 Å²	52	35%	0.351	29%	0.288	S	S	.	.			trans	-53.2	128.2	-179.2	-60.8	179.6	0	0	0	111.4	D331 T332 V333 Y359 L395	D331-L392 HydrophobicContact CB-CD2 3.86Å; D331-L392 WeakPolarHBondContact OD1-CA 3.47Å; T332-L392 WeakPolarHBondContact O-CD2 3.32Å; V333-L392 HydrophobicContact CG1-CD2 4.23Å; Y359-L392 HydrophobicContact CD1-CD1 4.29Å; Y359-L392 HydrophobicContact CE1-CD1 3.81Å; L392-L395 WeakPolarHBondContact CB-O 3.41Å; L392-L395 HydrophobicContact CD2-CB 4.38Å
393	K	94.4	Very high	93.5	Very high	92 Å²	92	48.6 Å²	48.6	40%	0.4	25%	0.254	S	S	.	.	S	Bend	trans	-127.6	-41.7	177.3	-173.6	-172.5	176.3	-170	0	111.8	D331 H363 D368 P391	D331-K393 PolarHBondContact OD1-N 3.47Å; D331-K393 PolarHBondContact OD2-N 2.73Å; H363-K393 PolarHBondContact CD2-O 3.08Å; D368-K393 IonicContact OD2-NZ 3.35Å; D368-K393 PolarHBondContact OD2-NZ 3.37Å; P391-K393 PolarHBondContact O-N 2.92Å
394	N	95.8	Very high	94.1	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.011	23%	0.234	C	C	.	.	S	Bend	trans	-88.2	-23.7	-178.6	-66.8	-48.1	0	0	0	111.6	F330 D331 I361 A362 H363 R390	F330-N394 HydrophobicContact CD1-CB 4.32Å; F330-N394 HydrophobicContact CD2-CB 4.1Å; F330-N394 HydrophobicContact CE1-CB 3.89Å; F330-N394 HydrophobicContact CE2-CB 3.64Å; F330-N394 HydrophobicContact CG-CB 4.43Å; F330-N394 HydrophobicContact CZ-CB 3.52Å; F330-N394 PolarHBondContact O-ND2 2.83Å; D331-N394 WeakPolarHBondContact OD2-CA 3.48Å; D331-N394 WeakPolarHBondContact OD2-CB 3.43Å; D331-N394 PolarHBondContact OD2-N 2.74Å; I361-N394 CarbonylContact C-O 3.57Å; A362-N394 PolarHBondContact N-O 2.92Å; H363-N394 WeakPolarHBondContact CB-OD1 3.49Å; H363-N394 PolarHBondContact N-O 3.04Å; H363-N394 WeakPolarHBondContact O-CB 3.26Å; R390-N394 PolarHBondContact NH2-ND2 2.71Å
395	L	96.7	Very high	94.4	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.6	-179.6	-63.2	178	0	0	0	112.3	I310 F330 D331 V333 L347 Y359 Q360 I361 L392	I310-L395 HydrophobicContact CD1-CD1 4.44Å; F330-L395 HydrophobicContact CD1-CD1 4.48Å; F330-L395 HydrophobicContact CD1-CG 4.43Å; F330-L395 HydrophobicContact CE1-CD1 4.17Å; F330-L395 HydrophobicContact CE1-CD2 3.74Å; F330-L395 HydrophobicContact CE1-CG 3.76Å; F330-L395 HydrophobicContact CZ-CD2 4.36Å; D331-L395 HydrophobicContact CB-CD1 4Å; D331-L395 HydrophobicContact CB-CG 4.31Å; D331-L395 WeakPolarHBondContact OD2-CB 3.44Å; D331-L395 PolarHBondContact OD2-N 2.86Å; V333-L395 HydrophobicContact CG1-CD1 3.85Å; L347-L395 HydrophobicContact CB-CD2 4.3Å; L347-L395 HydrophobicContact CD2-CD1 3.8Å; L347-L395 HydrophobicContact CD2-CD2 4.03Å; Y359-L395 HydrophobicContact CD1-CB 4.02Å; Y359-L395 HydrophobicContact CG-CB 4.25Å; Y359-L395 HydrophobicContact CG-CD1 4.28Å; Q360-L395 WeakPolarHBondContact O-CA 3.22Å; I361-L395 HydrophobicContact CG1-CD2 3.84Å; L392-L395 WeakPolarHBondContact CB-O 3.41Å; L392-L395 HydrophobicContact CD2-CB 4.38Å
396	I	96.4	Very high	94.6	Very high	91 Å²	91	43.6 Å²	43.6	47%	0.467	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.2	169.8	-60.2	173.6	0	0	0	107.6	Y359 Q360 A362 V398	Y359-I396 CarbonylContact C-O 3.6Å; Y359-I396 WeakPolarHBondContact CA-O 3.42Å; Q360-I396 PolarHBondContact N-O 2.85Å; Q360-I396 PolarHBondContact O-N 3.46Å; A362-I396 HydrophobicContact CB-CD1 3.81Å; A362-I396 HydrophobicContact CB-CG1 4.08Å; I396-V398 WeakPolarHBondContact O-CG2 3.25Å; I396-V398 PolarHBondContact O-N 2.97Å
397	E	95.4	Very high	94.8	Very high	107 Å²	107	38.1 Å²	38.1	50%	0.5	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	124.4	175.1	-172	-178.4	104.3	0	0	109.9	Y359 V400	Y359-E397 HydrophobicContact CD1-CB 3.98Å; Y359-E397 HydrophobicContact CE1-CB 3.84Å; Y359-E397 HydrophobicContact CE1-CG 4.16Å; E397-V400 HydrophobicContact CG-CG2 4.11Å; E397-V400 VanDerWaalsContact OE1-CG2 3.25Å; E397-V400 WeakPolarHBondContact OE1-CG2 3.43Å
398	V	93.8	Very high	94.9	Very high	42 Å²	42	40.3 Å²	40.3	26%	0.255	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	-39.1	-176.2	-174.8	0	0	0	0	112	F346 L358 Q360 I396	F346-V398 HydrophobicContact CE1-CG2 4.35Å; L358-V398 PolarHBondContact O-N 2.84Å; Q360-V398 HydrophobicContact CB-CG2 3.6Å; I396-V398 WeakPolarHBondContact O-CG2 3.25Å; I396-V398 PolarHBondContact O-N 2.97Å
399	D	94.2	Very high	95	Very high	22 Å²	22	38.5 Å²	38.5	12%	0.118	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	149.5	179.1	-159.3	28.8	0	0	0	112.4	G48 K49 V50 C357 L358	G48-D399 WeakPolarHBondContact O-CB 3.48Å; K49-D399 HydrophobicContact CD-CB 4.24Å; K49-D399 VanDerWaalsContact CD-CG 3.47Å; K49-D399 VanDerWaalsContact CD-OD1 3.27Å; K49-D399 WeakPolarHBondContact CD-OD1 3.42Å; K49-D399 IonicContact NZ-OD1 3.4Å; K49-D399 PolarHBondContact NZ-OD1 2.66Å; V50-D399 PolarHBondContact N-OD2 3.09Å; C357-D399 WeakPolarHBondContact CA-O 3.33Å; L358-D399 HydrophobicContact CB-CB 4.25Å; L358-D399 PolarHBondContact N-O 3.23Å; L358-D399 PolarHBondContact O-N 3.02Å
400	V	93.4	Very high	95.1	Very high	44 Å²	44	38.3 Å²	38.3	27%	0.267	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	112.1	-178.8	179.8	0	0	0	0	108.8	N355 H356 E397 E402	N355-V400 HydrophobicContact CB-CG1 3.63Å; H356-V400 CarbonylContact O-C 3.54Å; E397-V400 HydrophobicContact CG-CG2 4.11Å; E397-V400 VanDerWaalsContact OE1-CG2 3.25Å; E397-V400 WeakPolarHBondContact OE1-CG2 3.43Å; V400-E402 PolarHBondContact O-N 3.47Å
401	M	92.6	Very high	95.1	Very high	27 Å²	27	39.6 Å²	39.6	13%	0.133	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	113.8	172.9	-65	-174	77.2	0	0	110	L41 V50 F348 N355 H356 S403	L41-M401 HydrophobicContact CD1-CE 3.95Å; L41-M401 HydrophobicContact CD1-SD 3.95Å; L41-M401 HydrophobicContact CD2-CE 4.1Å; V50-M401 HydrophobicContact CB-CG 4.28Å; V50-M401 HydrophobicContact CB-SD 4.06Å; V50-M401 HydrophobicContact CG1-CE 4.25Å; V50-M401 HydrophobicContact CG1-SD 3.69Å; F348-M401 HydrophobicContact CE2-SD 3.93Å; F348-M401 HydrophobicContact CZ-SD 4.29Å; N355-M401 CarbonylContact C-O 3.56Å; N355-M401 VanDerWaalsContact CA-O 3.3Å; N355-M401 WeakPolarHBondContact CA-O 3.31Å; N355-M401 WeakPolarHBondContact CB-O 3.12Å; H356-M401 HydrophobicContact CB-CB 4.21Å; H356-M401 PolarHBondContact N-O 2.85Å; H356-M401 PolarHBondContact O-N 2.83Å; M401-S403 PolarHBondContact O-N 3.38Å
402	E	93.1	Very high	95.2	Very high	69 Å²	69	35.7 Å²	35.7	32%	0.322	18%	0.182	S	C	.	.			trans	-68.6	131.1	-177.4	-65.9	179.7	135.3	0	0	112.2	N355 V400 K774 Q781	N355-E402 WeakPolarHBondContact OD1-CA 3.45Å; V400-E402 PolarHBondContact O-N 3.47Å; E402-K774 IonicContact OE1-NZ 3.4Å; E402-K774 PolarHBondContact OE1-NZ 2.83Å; E402-K774 IonicContact OE2-NZ 2.69Å; E402-K774 PolarHBondContact OE2-NZ 2.9Å; E402-Q781 VanDerWaalsContact CB-NE2 3.28Å; E402-Q781 VanDerWaalsContact CD-CD 3.45Å; E402-Q781 PolarHBondContact OE1-NE2 3.13Å; E402-Q781 WeakPolarHBondContact OE2-CG 3.43Å; E402-Q781 PolarHBondContact OE2-NE2 3.23Å
403	S	94.9	Very high	95	Very high	1 Å²	1	34 Å²	34	1%	0.007	18%	0.177	C	C	.	.			trans	-138	135.4	179	169.3	0	0	0	0	111.6	T12 G354 N355 M401 S405 R436	T12-S403 WeakPolarHBondContact CB-OG 3.23Å; T12-S403 PolarHBondContact O-OG 3.41Å; T12-S403 PolarHBondContact OG1-OG 2.84Å; G354-S403 WeakPolarHBondContact O-CB 3.31Å; G354-S403 PolarHBondContact O-OG 2.99Å; N355-S403 PolarHBondContact OD1-N 3.11Å; N355-S403 PolarHBondContact OD1-O 3.23Å; M401-S403 PolarHBondContact O-N 3.38Å; S403-S405 VanDerWaalsContact C-N 3.32Å; S403-S405 PolarHBondContact OG-N 2.87Å; S403-R436 PolarHBondContact O-NH1 2.85Å; S403-R436 PolarHBondContact O-NH2 2.79Å
404	L	96.1	Very high	94.7	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.037	17%	0.171	C	C	.	.			trans	-86	-7.9	179.9	-60	179.4	0	0	0	112.2	Q9 T12 P406 V407 C427 L438 I1135	Q9-L404 HydrophobicContact CG-CD1 4.19Å; T12-L404 PolarHBondContact OG1-N 2.98Å; L404-P406 CarbonylContact O-C 3.51Å; L404-V407 HydrophobicContact CB-CG2 3.84Å; L404-V407 WeakPolarHBondContact O-CG2 3.34Å; L404-V407 PolarHBondContact O-N 2.86Å; L404-C427 PolarHBondContact O-SG 2.84Å; L404-L438 HydrophobicContact CD1-CD1 3.92Å; L404-L438 HydrophobicContact CD2-CD1 4.44Å; L404-L438 HydrophobicContact CD2-CD2 3.95Å; L404-I1135 HydrophobicContact CD1-CD1 4.1Å
405	S	96.3	Very high	94.1	Very high	8 Å²	8	32.1 Å²	32.1	6%	0.056	17%	0.171	C	C	.	.			trans	-68.7	128.8	-176.2	-176.2	0	0	0	0	111.7	G354 S403 I1131	G354-S405 PolarHBondContact N-O 2.89Å; S403-S405 VanDerWaalsContact C-N 3.32Å; S403-S405 PolarHBondContact OG-N 2.87Å; S405-I1131 PolarHBondContact OG-O 2.75Å
406	P	97.3	Very high	93.4	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.039	18%	0.18	C	C	.	.	S	Bend	cis	-88.7	138.6	-11.8	34.3	-31.5	0	0	0	112.9	F353 L404 M408 C427 G428 I1131	F353-P406 HydrophobicContact CD1-CB 4.41Å; F353-P406 HydrophobicContact CD1-CG 3.95Å; F353-P406 HydrophobicContact CE1-CG 4.38Å; F353-P406 HydrophobicContact CG-CG 4.5Å; L404-P406 CarbonylContact O-C 3.51Å; P406-M408 HydrophobicContact CB-SD 4.28Å; P406-M408 HydrophobicContact CG-SD 4.14Å; P406-M408 PolarHBondContact O-N 3.06Å; P406-C427 VanDerWaalsContact O-CA 3.23Å; P406-C427 WeakPolarHBondContact O-CA 3.37Å; P406-G428 PolarHBondContact O-N 2.8Å; P406-I1131 WeakPolarHBondContact CA-O 3.44Å; P406-I1131 HydrophobicContact CB-CG1 3.66Å; P406-I1131 WeakPolarHBondContact CB-O 3.36Å
407	V	97.2	Very high	92.8	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	104.7	168.9	-179.2	0	0	0	0	108.5	L404 C410 A425 L426 T1111 T1130	L404-V407 HydrophobicContact CB-CG2 3.84Å; L404-V407 WeakPolarHBondContact O-CG2 3.34Å; L404-V407 PolarHBondContact O-N 2.86Å; V407-C410 HydrophobicContact CG1-CB 4.18Å; V407-A425 HydrophobicContact CG1-CB 4.3Å; V407-L426 CarbonylContact C-O 3.55Å; V407-T1111 VanDerWaalsContact O-CB 3.23Å; V407-T1111 WeakPolarHBondContact O-CB 3.35Å; V407-T1111 VanDerWaalsContact O-CG2 3.24Å; V407-T1111 WeakPolarHBondContact O-CG2 3.39Å; V407-T1111 PolarHBondContact O-OG1 3.21Å; V407-T1130 WeakPolarHBondContact CB-O 3.36Å
408	M	96.2	Very high	92	Very high	51 Å²	51	34 Å²	34	25%	0.251	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-38	-178.6	-63.6	-56.8	-62.7	0	0	112.4	P406 L426 T789 P790	P406-M408 HydrophobicContact CB-SD 4.28Å; P406-M408 HydrophobicContact CG-SD 4.14Å; P406-M408 PolarHBondContact O-N 3.06Å; M408-L426 HydrophobicContact CB-CB 4.45Å; M408-L426 PolarHBondContact N-O 3.02Å; M408-T789 HydrophobicContact CE-CG2 4.17Å; M408-T789 HydrophobicContact CG-CG2 4.21Å; M408-T789 HydrophobicContact SD-CG2 4.36Å; M408-P790 WeakPolarHBondContact CB-O 3.22Å; M408-P790 WeakPolarHBondContact CG-O 3.32Å
409	S	95	Very high	91.3	Very high	20 Å²	20	38.4 Å²	38.4	14%	0.14	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	149.2	177.1	-171.1	0	0	0	0	109.3	A425 L426 F793	S409-A425 WeakPolarHBondContact O-CA 3.45Å; S409-L426 PolarHBondContact O-N 2.91Å; S409-F793 WeakPolarHBondContact OG-CE1 3.42Å
410	C	95.2	Very high	90.9	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.061	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	142.9	179.5	-178.3	0	0	0	0	109.5	V407 A424 C1112	V407-C410 HydrophobicContact CG1-CB 4.18Å; C410-A424 CarbonylContact C-O 3Å; C410-A424 VanDerWaalsContact CA-O 3.27Å; C410-A424 WeakPolarHBondContact CA-O 3.21Å; C410-C1112 HydrophobicContact CB-CB 4.1Å; C410-C1112 PolarHBondContact O-SG 2.9Å
411	H	94.7	Very high	90.8	Very high	66 Å²	66	36.5 Å²	36.5	31%	0.306	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	134.5	173.4	-168.6	58.9	0	0	0	110.4	F415 A424 F793 F795 Q1114	H411-F415 AromaticContact CD2-CZ 3.95Å; H411-A424 PolarHBondContact N-O 3.48Å; H411-A424 PolarHBondContact O-N 3.2Å; H411-F793 HydrophobicContact CB-CE1 4.33Å; H411-F793 HydrophobicContact CB-CE2 3.81Å; H411-F793 HydrophobicContact CB-CZ 3.48Å; H411-F793 VanDerWaalsContact CB-CZ 3.48Å; H411-F795 HydrophobicContact CB-CD2 4.47Å; H411-F795 HydrophobicContact CB-CE2 3.73Å; H411-F795 AromaticContact CD2-CD2 3.31Å; H411-F795 WeakPolarHBondContact CD2-CD2 3.3Å; H411-F795 AromaticContact CD2-CE2 3.27Å; H411-F795 WeakPolarHBondContact CD2-CE2 3.32Å; H411-F795 AromaticContact CG-CE2 3.77Å; H411-Q1114 PolarHBondContact ND1-OE1 3.39Å
412	I	94.5	Very high	90.8	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.062	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.6	-175.8	-46.6	-177.2	0	0	0	108.3	P421 L423 Q1114 A1116 L1118 V1127	I412-P421 HydrophobicContact CG2-CB 4Å; I412-P421 HydrophobicContact CG2-CG 4.29Å; I412-L423 HydrophobicContact CD1-CD2 4.38Å; I412-L423 HydrophobicContact CD1-CG 4.33Å; I412-L423 HydrophobicContact CG1-CG 4.07Å; I412-L423 HydrophobicContact CG2-CG 4.4Å; I412-Q1114 PolarHBondContact O-NE2 2.91Å; I412-A1116 HydrophobicContact CB-CB 4.2Å; I412-A1116 HydrophobicContact CD1-CB 4.06Å; I412-A1116 HydrophobicContact CG2-CB 4.09Å; I412-L1118 HydrophobicContact CD1-CD2 4.18Å; I412-L1118 HydrophobicContact CG2-CD2 4Å; I412-V1127 HydrophobicContact CD1-CB 3.54Å; I412-V1127 HydrophobicContact CD1-CG1 3.51Å; I412-V1127 HydrophobicContact CD1-CG2 3.81Å
413	A	90.8	Very high	90.9	Very high	31 Å²	31	32 Å²	32	26%	0.256	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	165.5	173.1	0	0	0	0	0	110.1	F415 Q422	A413-F415 HydrophobicContact CB-CD1 4.22Å; A413-F415 HydrophobicContact CB-CE1 3.62Å; A413-F415 HydrophobicContact CB-CE2 4.29Å; A413-F415 HydrophobicContact CB-CZ 3.67Å; A413-F415 WeakPolarHBondContact O-CD2 3.31Å; A413-F415 WeakPolarHBondContact O-CE2 3.1Å; A413-F415 PolarHBondContact O-N 3Å; A413-Q422 PolarHBondContact N-O 2.86Å; A413-Q422 PolarHBondContact O-N 3.36Å; A413-Q422 VanDerWaalsContact O-O 3.04Å; A413-Q422 PolarHBondContact O-OE1 2.88Å
414	D	88.7	Confident	90.9	Very high	49 Å²	49	32 Å²	32	26%	0.262	18%	0.177	S	C	.	.			trans	-88.8	92.5	171.8	-172.7	10.7	0	0	0	109.5	A416 N417 E418 D419 Q422	D414-A416 PolarHBondContact OD1-N 3.35Å; D414-N417 WeakPolarHBondContact OD1-CA 3.39Å; D414-N417 PolarHBondContact OD1-N 3.37Å; D414-N417 VanDerWaalsContact OD2-CA 3.28Å; D414-N417 WeakPolarHBondContact OD2-CA 3.27Å; D414-E418 PolarHBondContact OD1-N 3.33Å; D414-E418 PolarHBondContact OD2-N 3.34Å; D414-D419 WeakPolarHBondContact OD2-CA 3.49Å; D414-D419 PolarHBondContact OD2-N 2.82Å; D414-Q422 PolarHBondContact OD1-NE2 2.65Å; D414-Q422 VanDerWaalsContact OD1-NE2 3.12Å
415	F	83	Confident	90.9	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.026	18%	0.176	C	C	.	.	S	Bend	trans	-81.4	-26.7	179.6	-51.5	-68.5	0	0	0	112.2	H411 A413 Q422 A424 L437 F795 N800 L880	H411-F415 AromaticContact CD2-CZ 3.95Å; A413-F415 HydrophobicContact CB-CD1 4.22Å; A413-F415 HydrophobicContact CB-CE1 3.62Å; A413-F415 HydrophobicContact CB-CE2 4.29Å; A413-F415 HydrophobicContact CB-CZ 3.67Å; A413-F415 WeakPolarHBondContact O-CD2 3.31Å; A413-F415 WeakPolarHBondContact O-CE2 3.1Å; A413-F415 PolarHBondContact O-N 3Å; F415-Q422 HydrophobicContact CD2-CB 4.16Å; F415-A424 HydrophobicContact CE2-CB 3.73Å; F415-A424 HydrophobicContact CZ-CB 3.98Å; F415-L437 HydrophobicContact CD2-CD1 3.88Å; F415-L437 HydrophobicContact CE2-CD1 4.25Å; F415-F795 AromaticContact CD1-CD1 3.8Å; F415-F795 HydrophobicContact CD1-CD1 3.8Å; F415-F795 AromaticContact CD1-CE1 3.51Å; F415-F795 HydrophobicContact CD1-CE1 3.51Å; F415-F795 HydrophobicContact CD1-CZ 4.06Å; F415-F795 AromaticContact CE1-CD1 3.39Å; F415-F795 HydrophobicContact CE1-CD1 3.39Å; F415-F795 AromaticContact CE1-CD2 3.91Å; F415-F795 HydrophobicContact CE1-CD2 3.91Å; F415-F795 AromaticContact CE1-CE1 3.03Å; F415-F795 HydrophobicContact CE1-CE1 3.03Å; F415-F795 AromaticContact CE1-CE2 3.62Å; F415-F795 HydrophobicContact CE1-CE2 3.62Å; F415-F795 AromaticContact CE1-CG 3.79Å; F415-F795 HydrophobicContact CE1-CG 3.79Å; F415-F795 AromaticContact CE1-CZ 3.16Å; F415-F795 HydrophobicContact CE1-CZ 3.16Å; F415-F795 HydrophobicContact CE2-CE1 4.39Å; F415-F795 HydrophobicContact CE2-CZ 4.08Å; F415-F795 HydrophobicContact CG-CE1 4.35Å; F415-F795 HydrophobicContact CZ-CD1 4.28Å; F415-F795 HydrophobicContact CZ-CD2 4.31Å; F415-F795 AromaticContact CZ-CE1 3.55Å; F415-F795 HydrophobicContact CZ-CE1 3.55Å; F415-F795 AromaticContact CZ-CE2 3.62Å; F415-F795 HydrophobicContact CZ-CE2 3.62Å; F415-F795 AromaticContact CZ-CZ 3.17Å; F415-F795 HydrophobicContact CZ-CZ 3.17Å; F415-N800 PolarHBondContact O-ND2 2.93Å; F415-N800 VanDerWaalsContact O-ND2 3.12Å; F415-L880 HydrophobicContact CB-CD2 4.38Å
416	A	83.1	Confident	90.9	Very high	26 Å²	26	31.3 Å²	31.3	22%	0.215	17%	0.173	C	C	.	.	S	Bend	trans	-99.7	-4.6	-173.4	0	0	0	0	0	113.8	D414 E418 L880	D414-A416 PolarHBondContact OD1-N 3.35Å; A416-E418 VanDerWaalsContact C-N 3.33Å; A416-E418 HydrophobicContact CB-CG 3.67Å; A416-E418 VanDerWaalsContact CB-OE1 3.24Å; A416-E418 WeakPolarHBondContact CB-OE1 3.27Å; A416-L880 HydrophobicContact CB-CD2 3.77Å
417	N	82.9	Confident	90.9	Very high	134 Å²	134	31.1 Å²	31.1	72%	0.717	17%	0.172	S	C	*	.	S	Bend	trans	57.9	43.9	-172.6	-53.9	-57.8	0	0	0	112.1	D414	D414-N417 WeakPolarHBondContact OD1-CA 3.39Å; D414-N417 PolarHBondContact OD1-N 3.37Å; D414-N417 VanDerWaalsContact OD2-CA 3.28Å; D414-N417 WeakPolarHBondContact OD2-CA 3.27Å
418	E	78.9	Confident	90.9	Very high	82 Å²	82	31 Å²	31	38%	0.383	17%	0.172	S	C	.	.			trans	-97.1	9	-179.2	-68.1	168.2	-168.1	0	0	112.3	D414 A416 T420 Q422 R439	D414-E418 PolarHBondContact OD1-N 3.33Å; D414-E418 PolarHBondContact OD2-N 3.34Å; A416-E418 VanDerWaalsContact C-N 3.33Å; A416-E418 HydrophobicContact CB-CG 3.67Å; A416-E418 VanDerWaalsContact CB-OE1 3.24Å; A416-E418 WeakPolarHBondContact CB-OE1 3.27Å; E418-T420 PolarHBondContact O-N 3.03Å; E418-Q422 PolarHBondContact OE2-NE2 3.04Å; E418-Q422 VanDerWaalsContact OE2-NE2 3.13Å; E418-R439 IonicContact OE1-CZ 2.68Å; E418-R439 IonicContact OE1-NE 3.16Å; E418-R439 PolarHBondContact OE1-NE 2.77Å; E418-R439 IonicContact OE1-NH2 3.01Å; E418-R439 PolarHBondContact OE1-NH2 2.89Å; E418-R439 WeakPolarHBondContact OE2-CD 3.33Å; E418-R439 IonicContact OE2-NE 2.66Å; E418-R439 PolarHBondContact OE2-NE 2.9Å
419	D	79.1	Confident	90.9	Very high	134 Å²	134	35 Å²	35	72%	0.717	18%	0.183	S	C	*	.	S	Bend	trans	64.1	-33.7	-169.6	-64	-42.2	0	0	0	114.5	D414 P1120	D414-D419 WeakPolarHBondContact OD2-CA 3.49Å; D414-D419 PolarHBondContact OD2-N 2.82Å; D419-P1120 HydrophobicContact CB-CG 4.04Å
420	T	85.2	Confident	90.8	Very high	8 Å²	8	34.3 Å²	34.3	5%	0.049	18%	0.18	C	C	.	.	S	Bend	trans	-89.9	121.8	174.7	-53.7	0	0	0	0	108.9	E418 Q422 R723 P1120	E418-T420 PolarHBondContact O-N 3.03Å; T420-Q422 PolarHBondContact O-NE2 2.93Å; T420-R723 VanDerWaalsContact OG1-CZ 3.32Å; T420-R723 PolarHBondContact OG1-NH1 3.07Å; T420-R723 PolarHBondContact OG1-NH2 3.07Å; T420-P1120 WeakPolarHBondContact OG1-CD 3.32Å
421	P	91.5	Very high	90.8	Very high	19 Å²	19	35 Å²	35	12%	0.123	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-67.4	146.4	-178.7	26.3	-31.3	0	0	0	111.4	I412 T1117	I412-P421 HydrophobicContact CG2-CB 4Å; I412-P421 HydrophobicContact CG2-CG 4.29Å; P421-T1117 WeakPolarHBondContact CG-O 3.45Å
422	Q	92.5	Very high	90.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	154.7	172.8	-51.8	81.4	27.6	0	0	109.7	A413 D414 F415 E418 T420 L437 L438 R439	A413-Q422 PolarHBondContact N-O 2.86Å; A413-Q422 PolarHBondContact O-N 3.36Å; A413-Q422 VanDerWaalsContact O-O 3.04Å; A413-Q422 PolarHBondContact O-OE1 2.88Å; D414-Q422 PolarHBondContact OD1-NE2 2.65Å; D414-Q422 VanDerWaalsContact OD1-NE2 3.12Å; F415-Q422 HydrophobicContact CD2-CB 4.16Å; E418-Q422 PolarHBondContact OE2-NE2 3.04Å; E418-Q422 VanDerWaalsContact OE2-NE2 3.13Å; T420-Q422 PolarHBondContact O-NE2 2.93Å; Q422-L437 HydrophobicContact CB-CD1 3.68Å; Q422-L437 HydrophobicContact CB-CG 4.16Å; Q422-L437 HydrophobicContact CG-CD1 4.49Å; Q422-L438 WeakPolarHBondContact CA-O 3.46Å; Q422-R439 HydrophobicContact CG-CG 3.81Å
423	L	95	Very high	90.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	110.8	175.3	-64.9	72	0	0	0	107.9	I412 L438 F779 L1118 I1135	I412-L423 HydrophobicContact CD1-CD2 4.38Å; I412-L423 HydrophobicContact CD1-CG 4.33Å; I412-L423 HydrophobicContact CG1-CG 4.07Å; I412-L423 HydrophobicContact CG2-CG 4.4Å; L423-L438 HydrophobicContact CB-CB 4.14Å; L423-L438 HydrophobicContact CB-CD1 4.27Å; L423-L438 HydrophobicContact CB-CG 4.48Å; L423-L438 PolarHBondContact N-O 2.83Å; L423-L438 PolarHBondContact O-N 3.28Å; L423-F779 HydrophobicContact CD1-CE1 3.88Å; L423-F779 HydrophobicContact CD1-CZ 4.45Å; L423-F779 HydrophobicContact CD2-CE1 4.36Å; L423-F779 HydrophobicContact CD2-CZ 4.2Å; L423-L1118 HydrophobicContact CD1-CD2 4.27Å; L423-I1135 HydrophobicContact CD2-CD1 3.94Å; L423-I1135 HydrophobicContact CD2-CG2 4.02Å
424	A	95.3	Very high	91.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	118.3	171.1	0	0	0	0	0	109	C410 H411 F415 F435 R436 L437 F793 F795	C410-A424 CarbonylContact C-O 3Å; C410-A424 VanDerWaalsContact CA-O 3.27Å; C410-A424 WeakPolarHBondContact CA-O 3.21Å; H411-A424 PolarHBondContact N-O 3.48Å; H411-A424 PolarHBondContact O-N 3.2Å; F415-A424 HydrophobicContact CE2-CB 3.73Å; F415-A424 HydrophobicContact CZ-CB 3.98Å; A424-F435 HydrophobicContact CB-CE1 4.47Å; A424-F435 HydrophobicContact CB-CE2 4.09Å; A424-F435 HydrophobicContact CB-CZ 3.64Å; A424-R436 CarbonylContact C-O 3.53Å; A424-R436 WeakPolarHBondContact CA-O 3.5Å; A424-L437 HydrophobicContact CB-CD1 4.34Å; A424-F793 HydrophobicContact CB-CE2 3.96Å; A424-F793 HydrophobicContact CB-CZ 4.21Å; A424-F793 WeakPolarHBondContact O-CZ 3.06Å; A424-F795 HydrophobicContact CB-CZ 3.8Å
425	A	96.4	Very high	91.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.2	-179.2	0	0	0	0	0	111.2	V407 S409 R436	V407-A425 HydrophobicContact CG1-CB 4.3Å; S409-A425 WeakPolarHBondContact O-CA 3.45Å; A425-R436 PolarHBondContact N-O 2.67Å; A425-R436 PolarHBondContact O-N 3.3Å
426	L	97.1	Very high	92	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.4	169.3	-66.6	177.9	0	0	0	108.2	V407 M408 S409 F435 L786 P790 F793 I804	V407-L426 CarbonylContact C-O 3.55Å; M408-L426 HydrophobicContact CB-CB 4.45Å; M408-L426 PolarHBondContact N-O 3.02Å; S409-L426 PolarHBondContact O-N 2.91Å; L426-F435 HydrophobicContact CD2-CB 4.42Å; L426-F435 HydrophobicContact CD2-CD2 3.68Å; L426-F435 HydrophobicContact CD2-CE2 4.49Å; L426-F435 HydrophobicContact CD2-CG 4.49Å; L426-L786 HydrophobicContact CD2-CD1 4.19Å; L426-P790 HydrophobicContact CB-CB 3.88Å; L426-P790 HydrophobicContact CB-CG 3.72Å; L426-P790 HydrophobicContact CD1-CB 3.92Å; L426-P790 HydrophobicContact CD2-CB 3.94Å; L426-P790 HydrophobicContact CD2-CG 4.35Å; L426-P790 HydrophobicContact CG-CB 4.12Å; L426-P790 HydrophobicContact CG-CG 4.45Å; L426-F793 HydrophobicContact CD1-CB 3.9Å; L426-F793 HydrophobicContact CD1-CD1 3.17Å; L426-F793 HydrophobicContact CD1-CE1 3.81Å; L426-F793 HydrophobicContact CD1-CG 3.74Å; L426-F793 HydrophobicContact CG-CD1 3.74Å; L426-F793 HydrophobicContact CG-CE1 3.92Å; L426-F793 HydrophobicContact CG-CG 4.29Å; L426-I804 HydrophobicContact CD1-CG2 4.13Å; L426-I804 HydrophobicContact CD2-CD1 4.13Å; L426-I804 HydrophobicContact CD2-CG2 4.01Å
427	C	97.2	Very high	92.6	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	163.1	-170.5	-68.8	0	0	0	0	112.6	L404 P406 S433 T434 R436	L404-C427 PolarHBondContact O-SG 2.84Å; P406-C427 VanDerWaalsContact O-CA 3.23Å; P406-C427 WeakPolarHBondContact O-CA 3.37Å; C427-S433 CarbonylContact O-C 3.54Å; C427-S433 VanDerWaalsContact O-CA 3.26Å; C427-S433 WeakPolarHBondContact O-CA 3.41Å; C427-T434 PolarHBondContact N-O 3.42Å; C427-T434 PolarHBondContact O-N 3.26Å; C427-R436 HydrophobicContact CB-CG 4.43Å
428	G	95.7	Very high	93.1	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.01	12%	0.124	C	C	.	.			trans	83.6	-179.7	171.5	0	0	0	0	0	114.5	P406	P406-G428 PolarHBondContact O-N 2.8Å
429	R	96.3	Very high	93.7	Very high	133 Å²	133	20.9 Å²	20.9	50%	0.502	11%	0.114	S	C	.	.	S	Bend	trans	-135.9	139.8	-179.2	177.9	-175.2	175.1	-168.9	-0.1	109.1	E352 F353 G432 S433	E352-R429 IonicContact OE2-NH1 3.53Å; F353-R429 HydrophobicContact CB-CB 4.45Å; F353-R429 HydrophobicContact CD2-CB 4.19Å; F353-R429 HydrophobicContact CG-CB 4.44Å; R429-G432 PolarHBondContact O-N 2.8Å; R429-S433 VanDerWaalsContact C-OG 3.26Å; R429-S433 PolarHBondContact N-OG 3.46Å
430	G	94.5	Very high	94.3	Very high	7 Å²	7	15.1 Å²	15.1	7%	0.072	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	62.2	-140.4	174.8	0	0	0	0	0	112.1	G432 S433 Y788 T789 D808	G430-G432 PolarHBondContact O-N 3.06Å; G430-S433 PolarHBondContact N-OG 2.94Å; G430-S433 VanDerWaalsContact O-CB 3.27Å; G430-S433 WeakPolarHBondContact O-CB 3.13Å; G430-S433 PolarHBondContact O-N 2.82Å; G430-S433 PolarHBondContact O-OG 2.83Å; G430-Y788 CarbonylContact O-C 3.59Å; G430-T789 PolarHBondContact N-OG1 2.99Å; G430-D808 VanDerWaalsContact CA-OD2 3.25Å; G430-D808 WeakPolarHBondContact CA-OD2 3.49Å
431	P	93.6	Very high	94.6	Very high	24 Å²	24	14.7 Å²	14.7	16%	0.156	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-71	-13.1	178.2	31.9	-37.3	0	0	0	113.4	S433 Q787 E857 A862	P431-S433 PolarHBondContact O-N 2.98Å; P431-Q787 WeakPolarHBondContact CA-O 3.27Å; P431-E857 HydrophobicContact CB-CB 3.78Å; P431-E857 HydrophobicContact CG-CB 4.07Å; P431-E857 WeakPolarHBondContact CG-O 3.42Å; P431-A862 HydrophobicContact CG-CB 3.92Å
432	G	93.1	Very high	94.5	Very high	41 Å²	41	13.9 Å²	13.9	42%	0.423	7%	0.074	S	C	.	.	G	3₁₀ helix	trans	-82.6	9.5	172.4	0	0	0	0	0	113.8	R429 G430	R429-G432 PolarHBondContact O-N 2.8Å; G430-G432 PolarHBondContact O-N 3.06Å
433	S	96.6	Very high	94.4	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.007	9%	0.092	C	C	.	.			trans	-75.8	144	-178.2	-57.8	0	0	0	0	112.3	C427 R429 G430 P431 L786 Y788 T789 P790	C427-S433 CarbonylContact O-C 3.54Å; C427-S433 VanDerWaalsContact O-CA 3.26Å; C427-S433 WeakPolarHBondContact O-CA 3.41Å; R429-S433 VanDerWaalsContact C-OG 3.26Å; R429-S433 PolarHBondContact N-OG 3.46Å; G430-S433 PolarHBondContact N-OG 2.94Å; G430-S433 VanDerWaalsContact O-CB 3.27Å; G430-S433 WeakPolarHBondContact O-CB 3.13Å; G430-S433 PolarHBondContact O-N 2.82Å; G430-S433 PolarHBondContact O-OG 2.83Å; P431-S433 PolarHBondContact O-N 2.98Å; S433-L786 PolarHBondContact O-N 2.95Å; S433-Y788 WeakPolarHBondContact CB-O 3.12Å; S433-Y788 PolarHBondContact OG-O 3Å; S433-T789 WeakPolarHBondContact OG-CA 3.23Å; S433-P790 VanDerWaalsContact CB-CD 3.45Å; S433-P790 WeakPolarHBondContact OG-CD 3.46Å
434	T	96.7	Very high	94.2	Very high	18 Å²	18	18.7 Å²	18.7	11%	0.11	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	145.8	179.9	52.8	0	0	0	0	111.9	C427 R436 Y784	C427-T434 PolarHBondContact N-O 3.42Å; C427-T434 PolarHBondContact O-N 3.26Å; T434-R436 PolarHBondContact OG1-NE 2.91Å; T434-Y784 CarbonylContact C-O 3.59Å; T434-Y784 WeakPolarHBondContact CA-O 3.45Å
435	F	96.4	Very high	93.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	126	159.3	178.8	-79.8	0	0	0	107.6	A424 L426 L437 S783 Y784 L786 F793 T802 I804 F877 P879	A424-F435 HydrophobicContact CB-CE1 4.47Å; A424-F435 HydrophobicContact CB-CE2 4.09Å; A424-F435 HydrophobicContact CB-CZ 3.64Å; L426-F435 HydrophobicContact CD2-CB 4.42Å; L426-F435 HydrophobicContact CD2-CD2 3.68Å; L426-F435 HydrophobicContact CD2-CE2 4.49Å; L426-F435 HydrophobicContact CD2-CG 4.49Å; F435-L437 HydrophobicContact CE1-CB 4.34Å; F435-S783 CarbonylContact O-C 3.53Å; F435-S783 WeakPolarHBondContact O-CA 3.23Å; F435-Y784 HydrophobicContact CD1-CD2 4.06Å; F435-Y784 PolarHBondContact N-O 3.1Å; F435-Y784 PolarHBondContact O-N 3.44Å; F435-L786 HydrophobicContact CB-CD1 4.33Å; F435-L786 HydrophobicContact CB-CD2 4.44Å; F435-F793 HydrophobicContact CE2-CE2 4.33Å; F435-T802 HydrophobicContact CE2-CG2 4.48Å; F435-I804 HydrophobicContact CD2-CD1 3.83Å; F435-F877 HydrophobicContact CB-CE1 4.22Å; F435-F877 HydrophobicContact CB-CZ 4.44Å; F435-F877 AromaticContact CD1-CE1 3.58Å; F435-F877 HydrophobicContact CD1-CE1 3.58Å; F435-F877 HydrophobicContact CD1-CZ 4.2Å; F435-F877 HydrophobicContact CD2-CD1 4.29Å; F435-F877 HydrophobicContact CD2-CE1 4.09Å; F435-F877 AromaticContact CE1-CE1 3.86Å; F435-F877 HydrophobicContact CE1-CE1 3.86Å; F435-F877 HydrophobicContact CE2-CD1 4.45Å; F435-F877 HydrophobicContact CE2-CE1 4.36Å; F435-F877 HydrophobicContact CG-CD1 4.33Å; F435-F877 AromaticContact CG-CE1 3.69Å; F435-F877 HydrophobicContact CG-CE1 3.69Å; F435-F877 HydrophobicContact CG-CZ 4.33Å; F435-F877 HydrophobicContact CZ-CE1 4.25Å; F435-P879 HydrophobicContact CE1-CB 4.06Å; F435-P879 HydrophobicContact CZ-CB 3.93Å; F435-P879 HydrophobicContact CZ-CG 4.25Å
436	R	95.6	Very high	93.6	Very high	5 Å²	5	24 Å²	24	2%	0.019	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.2	179.1	-60.4	-169.3	-177.2	-158	6.4	111.1	N355 S403 A424 A425 C427 T434 L438 I782	N355-R436 PolarHBondContact OD1-NH1 3Å; N355-R436 PolarHBondContact OD1-NH2 2.84Å; S403-R436 PolarHBondContact O-NH1 2.85Å; S403-R436 PolarHBondContact O-NH2 2.79Å; A424-R436 CarbonylContact C-O 3.53Å; A424-R436 WeakPolarHBondContact CA-O 3.5Å; A425-R436 PolarHBondContact N-O 2.67Å; A425-R436 PolarHBondContact O-N 3.3Å; C427-R436 HydrophobicContact CB-CG 4.43Å; T434-R436 PolarHBondContact OG1-NE 2.91Å; R436-L438 HydrophobicContact CB-CD2 4.31Å; R436-I782 CarbonylContact C-O 3.57Å; R436-I782 VanDerWaalsContact CA-O 3.25Å; R436-I782 WeakPolarHBondContact CA-O 3.45Å
437	L	94.2	Very high	93.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	114.2	170.3	-170.3	68.9	0	0	0	108.5	F415 Q422 A424 F435 I782 L880	F415-L437 HydrophobicContact CD2-CD1 3.88Å; F415-L437 HydrophobicContact CE2-CD1 4.25Å; Q422-L437 HydrophobicContact CB-CD1 3.68Å; Q422-L437 HydrophobicContact CB-CG 4.16Å; Q422-L437 HydrophobicContact CG-CD1 4.49Å; A424-L437 HydrophobicContact CB-CD1 4.34Å; F435-L437 HydrophobicContact CE1-CB 4.34Å; L437-I782 PolarHBondContact N-O 2.83Å; L437-I782 PolarHBondContact O-N 2.8Å; L437-L880 HydrophobicContact CD2-CD2 4.25Å
438	L	94.4	Very high	92.9	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127	-179.4	-44.6	174.6	0	0	0	109.7	L404 Q422 L423 R436 F779 N780 Q781 I1135	L404-L438 HydrophobicContact CD1-CD1 3.92Å; L404-L438 HydrophobicContact CD2-CD1 4.44Å; L404-L438 HydrophobicContact CD2-CD2 3.95Å; Q422-L438 WeakPolarHBondContact CA-O 3.46Å; L423-L438 HydrophobicContact CB-CB 4.14Å; L423-L438 HydrophobicContact CB-CD1 4.27Å; L423-L438 HydrophobicContact CB-CG 4.48Å; L423-L438 PolarHBondContact N-O 2.83Å; L423-L438 PolarHBondContact O-N 3.28Å; R436-L438 HydrophobicContact CB-CD2 4.31Å; L438-F779 HydrophobicContact CB-CB 4.23Å; L438-F779 HydrophobicContact CB-CD1 3.96Å; L438-F779 HydrophobicContact CB-CG 4.26Å; L438-N780 VanDerWaalsContact CA-O 3.31Å; L438-N780 WeakPolarHBondContact CA-O 3.31Å; L438-Q781 HydrophobicContact CD2-CB 3.5Å; L438-I1135 HydrophobicContact CD1-CD1 3.53Å
439	R	92.2	Very high	92.7	Very high	41 Å²	41	35.4 Å²	35.4	16%	0.155	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	144.8	167.9	-45.2	-176.8	165.8	78.4	-6.6	109.3	E418 Q422 G441 F779 N780 I782	E418-R439 IonicContact OE1-CZ 2.68Å; E418-R439 IonicContact OE1-NE 3.16Å; E418-R439 PolarHBondContact OE1-NE 2.77Å; E418-R439 IonicContact OE1-NH2 3.01Å; E418-R439 PolarHBondContact OE1-NH2 2.89Å; E418-R439 WeakPolarHBondContact OE2-CD 3.33Å; E418-R439 IonicContact OE2-NE 2.66Å; E418-R439 PolarHBondContact OE2-NE 2.9Å; Q422-R439 HydrophobicContact CG-CG 3.81Å; R439-G441 PolarHBondContact O-N 3.04Å; R439-F779 CarbonylContact O-C 3.32Å; R439-F779 VanDerWaalsContact O-CA 3.23Å; R439-F779 WeakPolarHBondContact O-CA 3.15Å; R439-N780 WeakPolarHBondContact CA-OD1 3.41Å; R439-N780 WeakPolarHBondContact CB-OD1 3.27Å; R439-N780 PolarHBondContact N-O 2.9Å; R439-N780 PolarHBondContact N-OD1 3.05Å; R439-N780 VanDerWaalsContact N-OD1 3.07Å; R439-N780 PolarHBondContact O-N 2.85Å; R439-N780 PolarHBondContact O-OD1 3.16Å; R439-N780 VanDerWaalsContact O-OD1 3.12Å; R439-I782 VanDerWaalsContact NH1-CD1 3.28Å
440	H	91.4	Very high	92.5	Very high	12 Å²	12	32 Å²	32	6%	0.056	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	117	170.3	171.2	-133	0	0	0	109.1	P738 V778 F1226	H440-P738 WeakPolarHBondContact CE1-CD 3.49Å; H440-P738 VanDerWaalsContact NE2-CD 3.3Å; H440-P738 WeakPolarHBondContact NE2-CD 3.38Å; H440-P738 WeakPolarHBondContact O-CG 3.41Å; H440-V778 PolarHBondContact CD2-O 2.86Å; H440-F1226 HydrophobicContact CB-CD1 3.79Å; H440-F1226 HydrophobicContact CB-CD2 4.49Å; H440-F1226 HydrophobicContact CB-CE1 3.49Å; H440-F1226 VanDerWaalsContact CB-CE1 3.49Å; H440-F1226 HydrophobicContact CB-CE2 4.26Å; H440-F1226 HydrophobicContact CB-CG 4.28Å; H440-F1226 HydrophobicContact CB-CZ 3.76Å; H440-F1226 AromaticContact CD2-CD1 3.65Å; H440-F1226 AromaticContact CD2-CD2 3.93Å; H440-F1226 AromaticContact CD2-CG 3.46Å; H440-F1226 VanDerWaalsContact CD2-CG 3.46Å; H440-F1226 WeakPolarHBondContact CD2-CG 3.4Å; H440-F1226 AromaticContact CE1-CD1 3.52Å; H440-F1226 AromaticContact CE1-CG 3.76Å; H440-F1226 AromaticContact CG-CD1 3.26Å; H440-F1226 AromaticContact CG-CE1 3.56Å; H440-F1226 AromaticContact CG-CG 3.6Å; H440-F1226 AromaticContact ND1-CD1 3.19Å; H440-F1226 WeakPolarHBondContact ND1-CD1 3.17Å; H440-F1226 AromaticContact ND1-CE1 3.73Å; H440-F1226 AromaticContact ND1-CG 3.8Å; H440-F1226 WeakPolarHBondContact NE2-CB 3.4Å; H440-F1226 AromaticContact NE2-CD1 3.83Å; H440-F1226 AromaticContact NE2-CG 3.6Å
441	G	90.4	Very high	92.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	147.2	157.7	176.4	0	0	0	0	0	113.5	R439 P738 S740 V778 N780	R439-G441 PolarHBondContact O-N 3.04Å; G441-P738 CarbonylContact C-O 3.59Å; G441-P738 WeakPolarHBondContact CA-O 3.42Å; G441-S740 WeakPolarHBondContact CA-OG 3.49Å; G441-S740 PolarHBondContact O-OG 3.14Å; G441-V778 PolarHBondContact N-O 2.86Å; G441-V778 VanDerWaalsContact N-O 3.11Å; G441-N780 WeakPolarHBondContact O-CB 3.22Å; G441-N780 PolarHBondContact O-N 2.97Å
442	L	90.7	Very high	92.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-71	144.9	177	-61.4	176	0	0	0	110.9	L726 Y728 I737 P738 L739 S740 L772 L775 A777	L442-L726 HydrophobicContact CD1-CB 4.29Å; L442-L726 HydrophobicContact CD1-CD2 3.69Å; L442-Y728 HydrophobicContact CD1-CE1 4.2Å; L442-I737 HydrophobicContact CD2-CD1 4.37Å; L442-I737 HydrophobicContact CD2-CG2 4.15Å; L442-I737 HydrophobicContact CG-CB 4.27Å; L442-I737 HydrophobicContact CG-CG2 3.81Å; L442-P738 PolarHBondContact N-O 3.4Å; L442-L739 HydrophobicContact CB-CD2 4.05Å; L442-L739 HydrophobicContact CD1-CD2 4.16Å; L442-S740 WeakPolarHBondContact O-CB 3.46Å; L442-S740 PolarHBondContact O-N 2.76Å; L442-L772 HydrophobicContact CD1-CD1 4.48Å; L442-L775 HydrophobicContact CD1-CD2 4.33Å; L442-A777 WeakPolarHBondContact CD2-O 3.27Å
443	E	89.3	Confident	92.1	Very high	80 Å²	80	41.5 Å²	41.5	37%	0.374	23%	0.226	S	C	.	.			trans	-69.4	137.7	169.8	-173.3	171.3	-163.2	0	0	109.6	K774 N780	E443-K774 IonicContact OE2-NZ 3.88Å; E443-K774 PolarHBondContact OE2-NZ 3.23Å; E443-N780 HydrophobicContact CB-CB 4.39Å
444	V	90.1	Very high	91.7	Very high	23 Å²	23	42.4 Å²	42.4	14%	0.139	24%	0.236	C	C	.	.			trans	-123.2	115.5	-177.6	-175	0	0	0	0	108.7	L739 Y741 M770 L772	V444-L739 HydrophobicContact CG2-CB 3.94Å; V444-L739 HydrophobicContact CG2-CD2 4.38Å; V444-Y741 HydrophobicContact CB-CD2 3.9Å; V444-Y741 HydrophobicContact CB-CG 4.45Å; V444-Y741 HydrophobicContact CG1-CD2 3.88Å; V444-Y741 HydrophobicContact CG1-CE2 4.2Å; V444-Y741 HydrophobicContact CG1-CG 4.34Å; V444-Y741 HydrophobicContact CG2-CD2 4.41Å; V444-M770 HydrophobicContact CG1-CB 3.71Å; V444-M770 HydrophobicContact CG1-CG 3.9Å; V444-M770 HydrophobicContact CG1-SD 3.7Å; V444-L772 HydrophobicContact CB-CD2 4.3Å; V444-L772 HydrophobicContact CG1-CD2 4.28Å; V444-L772 HydrophobicContact CG2-CD2 3.77Å
445	S	90.1	Very high	91.5	Very high	29 Å²	29	46.4 Å²	46.4	20%	0.203	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	118.7	174.2	-60.6	0	0	0	0	109.1	M447 M770 A771 E773	S445-M447 PolarHBondContact O-N 2.86Å; S445-M770 CarbonylContact O-C 3.59Å; S445-M770 VanDerWaalsContact O-CA 3.23Å; S445-M770 WeakPolarHBondContact O-CA 2.96Å; S445-A771 PolarHBondContact N-O 2.89Å; S445-A771 PolarHBondContact O-N 3.32Å; S445-E773 WeakPolarHBondContact CB-OE1 3.21Å; S445-E773 PolarHBondContact OG-OE1 2.88Å
446	E	89.8	Confident	91.3	Very high	84 Å²	84	46.7 Å²	46.7	39%	0.393	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	108.7	174.7	-174.1	176.7	116.1	0	0	109.6	K449 Y741 R768	E446-K449 WeakPolarHBondContact OE1-CB 3.43Å; E446-Y741 PolarHBondContact OE2-OH 3.15Å; E446-R768 IonicContact OE2-CZ 2.65Å; E446-R768 IonicContact OE2-NH1 3.48Å; E446-R768 PolarHBondContact OE2-NH1 3.23Å
447	M	89.4	Confident	91.1	Very high	94 Å²	94	50.3 Å²	50.3	46%	0.463	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-39.3	-178.9	-60.5	-59	-72.5	0	0	111.8	S445 I769 A771	S445-M447 PolarHBondContact O-N 2.86Å; M447-I769 HydrophobicContact CB-CB 4.36Å; M447-I769 HydrophobicContact CB-CG2 4.17Å; M447-I769 PolarHBondContact N-O 2.87Å; M447-A771 HydrophobicContact CG-CB 4.21Å; M447-A771 HydrophobicContact SD-CB 4.45Å
448	A	91.1	Very high	91.1	Very high	39 Å²	39	50.7 Å²	50.7	32%	0.322	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	147.6	178.8	0	0	0	0	0	111.4	R768 I769	A448-R768 CarbonylContact O-C 3.57Å; A448-R768 WeakPolarHBondContact O-CA 3.4Å; A448-I769 HydrophobicContact CB-CB 4.15Å; A448-I769 HydrophobicContact CB-CD1 4.15Å; A448-I769 HydrophobicContact CB-CG1 4.17Å; A448-I769 PolarHBondContact N-O 2.81Å; A448-I769 PolarHBondContact O-N 3.08Å
449	K	91.7	Very high	91.1	Very high	108 Å²	108	50.6 Å²	50.6	47%	0.47	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.2	171.7	177.1	179	175.6	-178.4	0	109.6	E446 L767	E446-K449 WeakPolarHBondContact OE1-CB 3.43Å; K449-L767 WeakPolarHBondContact CA-O 3.48Å
450	S	91.9	Very high	91.3	Very high	61 Å²	61	49.5 Å²	49.5	43%	0.427	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	124.6	178.3	-59.8	0	0	0	0	109.5	S766 L767	S450-S766 CarbonylContact O-C 3.57Å; S450-S766 WeakPolarHBondContact O-CA 3.36Å; S450-L767 PolarHBondContact N-O 2.82Å; S450-L767 PolarHBondContact O-N 3.12Å
451	D	92.3	Very high	91.4	Very high	133 Å²	133	50 Å²	50	71%	0.711	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	137	175.9	-64.8	-38.3	0	0	0	109.8
452	L	91.2	Very high	91.6	Very high	19 Å²	19	50.2 Å²	50.2	10%	0.099	28%	0.282	C	S	.	.			trans	-103.8	151.3	-179.6	-68	173	0	0	0	110.4	G454 P456 V476 F478 L483 N765 L767	L452-G454 PolarHBondContact O-N 2.69Å; L452-P456 HydrophobicContact CD1-CB 4.09Å; L452-P456 HydrophobicContact CD1-CG 3.55Å; L452-V476 HydrophobicContact CD1-CG1 3.86Å; L452-F478 HydrophobicContact CB-CE1 4.26Å; L452-F478 HydrophobicContact CB-CZ 4.18Å; L452-F478 HydrophobicContact CD1-CZ 4.42Å; L452-F478 HydrophobicContact CD2-CZ 4.36Å; L452-L483 HydrophobicContact CD2-CD2 4.22Å; L452-N765 WeakPolarHBondContact CB-O 3.43Å; L452-N765 PolarHBondContact N-O 2.8Å; L452-L767 HydrophobicContact CD1-CB 3.93Å; L452-L767 HydrophobicContact CD2-CB 4.35Å; L452-L767 HydrophobicContact CG-CB 4.09Å
453	P	88.4	Confident	91.6	Very high	120 Å²	120	52.7 Å²	52.7	78%	0.779	29%	0.293	S	S	*	.	S	Bend	trans	-66.9	-11.6	-174.1	26.1	-35.9	0	0	0	114.5	F478	P453-F478 HydrophobicContact CG-CE1 4.47Å; P453-F478 HydrophobicContact CG-CZ 4.09Å
454	G	89.4	Confident	91.5	Very high	21 Å²	21	55.3 Å²	55.3	22%	0.216	30%	0.299	C	S	.	.	S	Bend	trans	-161.5	-168.7	178.2	0	0	0	0	0	110.6	L452 P456	L452-G454 PolarHBondContact O-N 2.69Å; G454-P456 WeakPolarHBondContact O-CD 3.32Å
455	N	90.8	Very high	91.3	Very high	101 Å²	101	56.3 Å²	56.3	54%	0.54	30%	0.303	S	S	.	.			trans	-85	106.2	179	-55.5	27.3	0	0	0	108.1	N765	N455-N765 PolarHBondContact OD1-ND2 3.16Å; N455-N765 PolarHBondContact OD1-OD1 2.98Å
456	P	93.1	Very high	91.1	Very high	7 Å²	7	56.7 Å²	56.7	5%	0.045	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	151.3	173.7	35.9	-41.4	0	0	0	110.6	L452 G454 V476 S477 F478 I762 N764	L452-P456 HydrophobicContact CD1-CB 4.09Å; L452-P456 HydrophobicContact CD1-CG 3.55Å; G454-P456 WeakPolarHBondContact O-CD 3.32Å; P456-V476 HydrophobicContact CB-CG1 3.45Å; P456-V476 VanDerWaalsContact CB-CG1 3.45Å; P456-V476 HydrophobicContact CG-CG1 4.3Å; P456-S477 CarbonylContact C-O 3.57Å; P456-S477 WeakPolarHBondContact CA-O 3.43Å; P456-F478 HydrophobicContact CB-CD1 3.99Å; P456-F478 HydrophobicContact CB-CE1 3.8Å; P456-F478 HydrophobicContact CB-CZ 4.34Å; P456-F478 HydrophobicContact CG-CE1 4.46Å; P456-I762 HydrophobicContact CB-CD1 3.66Å; P456-I762 HydrophobicContact CB-CG1 4.33Å; P456-I762 HydrophobicContact CG-CB 4.19Å; P456-I762 HydrophobicContact CG-CD1 3.56Å; P456-I762 HydrophobicContact CG-CG1 3.72Å; P456-I762 HydrophobicContact CG-CG2 3.39Å; P456-N764 WeakPolarHBondContact CD-O 3.5Å
457	N	91.1	Very high	90.9	Very high	81 Å²	81	61.3 Å²	61.3	43%	0.433	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-31.7	179.3	-67.9	-9.8	0	0	0	112.3	S477 Y746	N457-S477 PolarHBondContact N-O 2.88Å; N457-Y746 WeakPolarHBondContact O-CD2 3.38Å
458	A	94	Very high	90.8	Very high	8 Å²	8	59.9 Å²	59.9	7%	0.066	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	155.8	-174.8	0	0	0	0	0	112.2	W460 S477 Y746 I762	A458-W460 HydrophobicContact CB-CH2 3.25Å; A458-W460 HydrophobicContact CB-CZ2 3.43Å; A458-W460 VanDerWaalsContact CB-CZ2 3.43Å; A458-W460 HydrophobicContact CB-CZ3 3.9Å; A458-S477 PolarHBondContact N-O 2.84Å; A458-S477 PolarHBondContact O-N 2.95Å; A458-Y746 HydrophobicContact CB-CD1 4.18Å; A458-Y746 HydrophobicContact CB-CD2 3.95Å; A458-Y746 HydrophobicContact CB-CE1 4.03Å; A458-Y746 HydrophobicContact CB-CE2 3.79Å; A458-Y746 HydrophobicContact CB-CG 4.14Å; A458-I762 VanDerWaalsContact C-CD1 3.45Å
459	V	95.5	Very high	90.6	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	140.5	176	61.8	0	0	0	0	110.5	I474 I475 V476 Y746 V760 I762 L767	V459-I474 HydrophobicContact CG2-CG2 3.69Å; V459-I475 CarbonylContact C-O 3.57Å; V459-I475 VanDerWaalsContact CA-O 3.28Å; V459-I475 WeakPolarHBondContact CA-O 3.46Å; V459-V476 HydrophobicContact CG2-CG2 4.13Å; V459-Y746 HydrophobicContact CG1-CD1 3.98Å; V459-Y746 VanDerWaalsContact N-CD1 3.33Å; V459-Y746 WeakPolarHBondContact O-CD1 3.23Å; V459-Y746 VanDerWaalsContact O-CE1 3.25Å; V459-Y746 WeakPolarHBondContact O-CE1 3.38Å; V459-V760 HydrophobicContact CG1-CG1 4.34Å; V459-V760 HydrophobicContact CG2-CG1 3.59Å; V459-I762 HydrophobicContact CB-CD1 3.68Å; V459-I762 HydrophobicContact CB-CG1 4.05Å; V459-I762 HydrophobicContact CG1-CD1 3.81Å; V459-I762 HydrophobicContact CG1-CG1 3.88Å; V459-L767 HydrophobicContact CG2-CD1 4.01Å
460	W	95.5	Very high	90.6	Very high	19 Å²	19	62.8 Å²	62.8	7%	0.072	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151.6	173.6	-55.6	-84.2	0	0	0	110.6	A458 I474 I475 T505 L506 C508 Y746	A458-W460 HydrophobicContact CB-CH2 3.25Å; A458-W460 HydrophobicContact CB-CZ2 3.43Å; A458-W460 VanDerWaalsContact CB-CZ2 3.43Å; A458-W460 HydrophobicContact CB-CZ3 3.9Å; W460-I474 CarbonylContact O-C 3.59Å; W460-I474 WeakPolarHBondContact O-CA 3.33Å; W460-I475 HydrophobicContact CE3-CB 4.45Å; W460-I475 HydrophobicContact CE3-CG2 4.3Å; W460-I475 PolarHBondContact N-O 2.74Å; W460-I475 PolarHBondContact O-N 2.78Å; W460-T505 HydrophobicContact CH2-CG2 4.33Å; W460-T505 VanDerWaalsContact CH2-O 3.31Å; W460-T505 WeakPolarHBondContact CH2-O 3.26Å; W460-T505 HydrophobicContact CZ3-CG2 3.91Å; W460-L506 WeakPolarHBondContact CH2-O 3.36Å; W460-L506 WeakPolarHBondContact CZ2-O 3.44Å; W460-C508 HydrophobicContact CB-CB 4.37Å; W460-Y746 PolarHBondContact NE1-OH 3.25Å
461	T	94.5	Very high	90.6	Very high	22 Å²	22	60.8 Å²	60.8	14%	0.135	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.4	170.4	54.3	0	0	0	0	108.6	Y473 I474 G749 F750 V760	T461-Y473 WeakPolarHBondContact CA-O 3.48Å; T461-I474 HydrophobicContact CG2-CG1 4.41Å; T461-G749 WeakPolarHBondContact CB-O 3.04Å; T461-G749 WeakPolarHBondContact CG2-O 3.2Å; T461-G749 PolarHBondContact OG1-O 3.33Å; T461-F750 HydrophobicContact CG2-CB 4.25Å; T461-F750 HydrophobicContact CG2-CD2 3.91Å; T461-V760 HydrophobicContact CG2-CB 4.14Å; T461-V760 HydrophobicContact CG2-CG2 3.96Å
462	V	93	Very high	90.6	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.024	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	133.7	-178.1	-164.3	0	0	0	0	110.6	A472 Y473 I475 C508 Q510 L516	V462-A472 PolarHBondContact O-N 2.81Å; V462-Y473 PolarHBondContact N-O 3.33Å; V462-Y473 PolarHBondContact O-N 2.72Å; V462-I475 HydrophobicContact CB-CD1 4.17Å; V462-I475 HydrophobicContact CG2-CD1 3.51Å; V462-C508 HydrophobicContact CG2-CB 4.07Å; V462-Q510 HydrophobicContact CG1-CB 3.92Å; V462-L516 HydrophobicContact CB-CD2 4.37Å; V462-L516 HydrophobicContact CG1-CD2 3.34Å
463	K	91.4	Very high	90.7	Very high	54 Å²	54	55.2 Å²	55.2	24%	0.235	28%	0.28	C	S	.	.			trans	-74.7	150.7	169.1	-58	-170.7	166.3	-162.4	0	111.2	N465 E468 E469 D471 L516	K463-N465 WeakPolarHBondContact CB-O 3.41Å; K463-E468 WeakPolarHBondContact CD-O 3.28Å; K463-E468 WeakPolarHBondContact CE-O 3.25Å; K463-E468 PolarHBondContact NZ-O 3.45Å; K463-E469 WeakPolarHBondContact CE-O 3.26Å; K463-E469 VanDerWaalsContact NZ-C 3.35Å; K463-E469 PolarHBondContact NZ-O 2.8Å; K463-D471 VanDerWaalsContact CG-OD1 3.25Å; K463-D471 WeakPolarHBondContact CG-OD1 3.47Å; K463-L516 WeakPolarHBondContact O-CD2 3.45Å
464	R	87.5	Confident	91	Very high	135 Å²	135	49.5 Å²	49.5	51%	0.509	24%	0.243	S	C	.	.	S	Bend	trans	-73.1	-40.9	175.3	-172.6	-179.4	-66.4	179.7	0.4	111.5	E468 A472	R464-E468 VanDerWaalsContact CB-OE2 3.3Å; R464-E468 WeakPolarHBondContact CB-OE2 3.39Å; R464-A472 HydrophobicContact CB-CB 3.96Å
465	N	86.3	Confident	91.3	Very high	43 Å²	43	48.5 Å²	48.5	23%	0.23	23%	0.233	C	C	.	.	S	Bend	trans	-138.8	168.7	177.6	60.5	42.3	0	0	0	110.1	K463 E467 E468 Q510 D513	K463-N465 WeakPolarHBondContact CB-O 3.41Å; N465-E467 VanDerWaalsContact C-N 3.3Å; N465-E467 PolarHBondContact OD1-N 3.23Å; N465-E468 PolarHBondContact ND2-OE1 2.82Å; N465-E468 WeakPolarHBondContact OD1-CA 3.47Å; N465-E468 WeakPolarHBondContact OD1-CB 3.45Å; N465-E468 WeakPolarHBondContact OD1-CG 3.27Å; N465-E468 PolarHBondContact OD1-N 2.9Å; N465-Q510 PolarHBondContact O-NE2 2.98Å; N465-D513 CarbonylContact C-O 3.55Å; N465-D513 WeakPolarHBondContact CA-O 3.49Å
466	S	85	Confident	91.5	Very high	37 Å²	37	43.7 Å²	43.7	26%	0.259	21%	0.207	S	C	.	.	S	Bend	trans	-80.2	-18.9	-173.4	53.8	0	0	0	0	112.2	Q510 D513	S466-Q510 VanDerWaalsContact CA-NE2 3.26Å; S466-D513 PolarHBondContact N-O 3.41Å; S466-D513 WeakPolarHBondContact OG-CA 3.42Å; S466-D513 PolarHBondContact OG-O 3.37Å; S466-D513 PolarHBondContact OG-OD1 3.39Å
467	E	86.7	Confident	91.6	Very high	182 Å²	182	43.5 Å²	43.5	85%	0.85	21%	0.206	S	C	*	.	S	Bend	trans	-82.5	-25	-179.9	-61.9	-175.9	169.4	0	0	112.8	N465 E469	N465-E467 VanDerWaalsContact C-N 3.3Å; N465-E467 PolarHBondContact OD1-N 3.23Å; E467-E469 PolarHBondContact O-N 2.83Å
468	E	86.3	Confident	91.7	Very high	64 Å²	64	40.9 Å²	40.9	30%	0.299	19%	0.191	S	C	.	.			trans	-65.1	132.5	177.1	-87.8	166.5	-153.7	0	0	110.4	K463 R464 N465	K463-E468 WeakPolarHBondContact CD-O 3.28Å; K463-E468 WeakPolarHBondContact CE-O 3.25Å; K463-E468 PolarHBondContact NZ-O 3.45Å; R464-E468 VanDerWaalsContact CB-OE2 3.3Å; R464-E468 WeakPolarHBondContact CB-OE2 3.39Å; N465-E468 PolarHBondContact ND2-OE1 2.82Å; N465-E468 WeakPolarHBondContact OD1-CA 3.47Å; N465-E468 WeakPolarHBondContact OD1-CB 3.45Å; N465-E468 WeakPolarHBondContact OD1-CG 3.27Å; N465-E468 PolarHBondContact OD1-N 2.9Å
469	E	86.5	Confident	91.6	Very high	129 Å²	129	44.8 Å²	44.8	60%	0.603	21%	0.214	S	C	*	.	S	Bend	trans	-69.4	-37.9	177.5	-165.8	176.8	155	0	0	111.2	K463 E467	K463-E469 WeakPolarHBondContact CE-O 3.26Å; K463-E469 VanDerWaalsContact NZ-C 3.35Å; K463-E469 PolarHBondContact NZ-O 2.8Å; E467-E469 PolarHBondContact O-N 2.83Å
470	Y	91.7	Very high	91.4	Very high	78 Å²	78	51 Å²	51	31%	0.306	25%	0.247	S	C	.	.	S	Bend	trans	-107.7	160.8	-172	-53.4	-49.7	0	0	0	113.4	E753	Y470-E753 HydrophobicContact CD2-CB 4.47Å; Y470-E753 HydrophobicContact CE2-CB 4.07Å
471	D	92.4	Very high	91.3	Very high	19 Å²	19	52 Å²	52	10%	0.102	26%	0.259	C	S	.	.			trans	-76.5	144.9	174.5	-65	-47.1	0	0	0	111.3	K463 I487 F750 S751	K463-D471 VanDerWaalsContact CG-OD1 3.25Å; K463-D471 WeakPolarHBondContact CG-OD1 3.47Å; D471-I487 HydrophobicContact CB-CD1 3.69Å; D471-I487 WeakPolarHBondContact O-CD1 3.4Å; D471-F750 WeakPolarHBondContact OD2-CA 3.48Å; D471-S751 PolarHBondContact N-O 2.9Å; D471-S751 PolarHBondContact OD2-N 2.91Å
472	A	92.3	Very high	91.3	Very high	10 Å²	10	51.4 Å²	51.4	8%	0.083	26%	0.255	C	S	.	.			trans	-104.9	-28.7	-177.9	0	0	0	0	0	113.1	V462 R464 S486 I487	V462-A472 PolarHBondContact O-N 2.81Å; R464-A472 HydrophobicContact CB-CB 3.96Å; A472-S486 WeakPolarHBondContact O-CA 3.4Å; A472-I487 PolarHBondContact O-N 3.43Å
473	Y	93.6	Very high	91.3	Very high	25 Å²	25	52.5 Å²	52.5	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	142.2	-176.9	-58	-72.1	0	0	0	112.9	T461 V462 V484 L485	T461-Y473 WeakPolarHBondContact CA-O 3.48Å; V462-Y473 PolarHBondContact N-O 3.33Å; V462-Y473 PolarHBondContact O-N 2.72Å; Y473-V484 HydrophobicContact CD1-CG1 4.06Å; Y473-V484 HydrophobicContact CG-CG1 4.48Å; Y473-L485 CarbonylContact C-O 3.56Å; Y473-L485 VanDerWaalsContact CA-O 3.25Å; Y473-L485 WeakPolarHBondContact CA-O 3.47Å
474	I	94.5	Very high	91.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.8	164.4	-52.3	179.4	0	0	0	107.9	V459 W460 T461 V476 L485 I487 F750 V760 L767 I769	V459-I474 HydrophobicContact CG2-CG2 3.69Å; W460-I474 CarbonylContact O-C 3.59Å; W460-I474 WeakPolarHBondContact O-CA 3.33Å; T461-I474 HydrophobicContact CG2-CG1 4.41Å; I474-V476 HydrophobicContact CG2-CG2 4.2Å; I474-L485 HydrophobicContact CB-CB 4.26Å; I474-L485 PolarHBondContact N-O 2.96Å; I474-L485 PolarHBondContact O-N 3.36Å; I474-I487 HydrophobicContact CD1-CD1 4.3Å; I474-I487 HydrophobicContact CD1-CG1 4.06Å; I474-I487 HydrophobicContact CG1-CD1 3.69Å; I474-I487 HydrophobicContact CG1-CG1 3.74Å; I474-F750 HydrophobicContact CD1-CD2 4.46Å; I474-F750 HydrophobicContact CD1-CE2 3.99Å; I474-F750 HydrophobicContact CG1-CE2 4.41Å; I474-V760 HydrophobicContact CD1-CG2 4.09Å; I474-V760 HydrophobicContact CG2-CG1 4.1Å; I474-L767 HydrophobicContact CG2-CD2 4.41Å; I474-I769 HydrophobicContact CD1-CD1 4.42Å
475	I	95	Very high	91.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.4	179.4	-57.9	94.1	0	0	0	108.8	V459 W460 V462 T482 V484 F499 C508	V459-I475 CarbonylContact C-O 3.57Å; V459-I475 VanDerWaalsContact CA-O 3.28Å; V459-I475 WeakPolarHBondContact CA-O 3.46Å; W460-I475 HydrophobicContact CE3-CB 4.45Å; W460-I475 HydrophobicContact CE3-CG2 4.3Å; W460-I475 PolarHBondContact N-O 2.74Å; W460-I475 PolarHBondContact O-N 2.78Å; V462-I475 HydrophobicContact CB-CD1 4.17Å; V462-I475 HydrophobicContact CG2-CD1 3.51Å; I475-T482 HydrophobicContact CG2-CG2 3.34Å; I475-V484 HydrophobicContact CG1-CG1 4.36Å; I475-V484 HydrophobicContact CG1-CG2 4.24Å; I475-V484 HydrophobicContact CG2-CG2 4.36Å; I475-F499 HydrophobicContact CD1-CE2 4.21Å; I475-F499 HydrophobicContact CD1-CZ 4.22Å; I475-F499 HydrophobicContact CG1-CD2 4.39Å; I475-F499 HydrophobicContact CG1-CE2 4.2Å; I475-F499 HydrophobicContact CG1-CZ 4.37Å; I475-C508 HydrophobicContact CD1-CB 4.13Å; I475-C508 HydrophobicContact CG1-CB 4.41Å
476	V	95.3	Very high	92	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.6	179.8	-176.3	0	0	0	0	109.3	L452 P456 V459 I474 F478 T482 L483 L767	L452-V476 HydrophobicContact CD1-CG1 3.86Å; P456-V476 HydrophobicContact CB-CG1 3.45Å; P456-V476 VanDerWaalsContact CB-CG1 3.45Å; P456-V476 HydrophobicContact CG-CG1 4.3Å; V459-V476 HydrophobicContact CG2-CG2 4.13Å; I474-V476 HydrophobicContact CG2-CG2 4.2Å; V476-F478 HydrophobicContact CB-CE2 4.48Å; V476-F478 HydrophobicContact CG1-CE2 3.97Å; V476-F478 HydrophobicContact CG1-CZ 3.92Å; V476-T482 CarbonylContact O-C 3.54Å; V476-T482 WeakPolarHBondContact O-CA 3.48Å; V476-L483 HydrophobicContact CB-CB 4.39Å; V476-L483 PolarHBondContact N-O 3.04Å; V476-L483 PolarHBondContact O-N 2.83Å; V476-L767 HydrophobicContact CG2-CD1 4.26Å; V476-L767 HydrophobicContact CG2-CD2 4.46Å
477	S	95.6	Very high	92.2	Very high	3 Å²	3	44 Å²	44	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.2	179.8	-178.8	0	0	0	0	110.7	P456 N457 A458 T505	P456-S477 CarbonylContact C-O 3.57Å; P456-S477 WeakPolarHBondContact CA-O 3.43Å; N457-S477 PolarHBondContact N-O 2.88Å; A458-S477 PolarHBondContact N-O 2.84Å; A458-S477 PolarHBondContact O-N 2.95Å; S477-T505 WeakPolarHBondContact CB-O 3.42Å; S477-T505 PolarHBondContact OG-N 2.78Å; S477-T505 PolarHBondContact OG-O 2.88Å
478	F	94.1	Very high	92	Very high	26 Å²	26	37.7 Å²	37.7	11%	0.114	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	176.1	171.6	-60.1	-87.6	0	0	0	110	L452 P453 P456 V476 N480 A481 L483 P504	L452-F478 HydrophobicContact CB-CE1 4.26Å; L452-F478 HydrophobicContact CB-CZ 4.18Å; L452-F478 HydrophobicContact CD1-CZ 4.42Å; L452-F478 HydrophobicContact CD2-CZ 4.36Å; P453-F478 HydrophobicContact CG-CE1 4.47Å; P453-F478 HydrophobicContact CG-CZ 4.09Å; P456-F478 HydrophobicContact CB-CD1 3.99Å; P456-F478 HydrophobicContact CB-CE1 3.8Å; P456-F478 HydrophobicContact CB-CZ 4.34Å; P456-F478 HydrophobicContact CG-CE1 4.46Å; V476-F478 HydrophobicContact CB-CE2 4.48Å; V476-F478 HydrophobicContact CG1-CE2 3.97Å; V476-F478 HydrophobicContact CG1-CZ 3.92Å; F478-N480 PolarHBondContact O-N 3.49Å; F478-A481 WeakPolarHBondContact CA-O 3.39Å; F478-A481 WeakPolarHBondContact CB-O 3.08Å; F478-A481 PolarHBondContact N-O 2.87Å; F478-L483 HydrophobicContact CE2-CB 3.76Å; F478-L483 HydrophobicContact CE2-CD2 4.35Å; F478-P504 WeakPolarHBondContact O-CB 3.49Å
479	V	90.9	Very high	91.7	Very high	90 Å²	90	43.6 Å²	43.6	55%	0.545	24%	0.239	S	C	.	.	S	Bend	trans	-56.6	-37.1	177.8	-176.5	0	0	0	0	112.7	P504	V479-P504 WeakPolarHBondContact O-CG 3.44Å
480	N	90.6	Very high	91.5	Very high	132 Å²	132	41.3 Å²	41.3	71%	0.706	23%	0.234	S	C	*	.	S	Bend	trans	-120.8	-5.8	-171.5	-64.5	-21.9	0	0	0	114.6	F478	F478-N480 PolarHBondContact O-N 3.49Å
481	A	93.6	Very high	91.3	Very high	38 Å²	38	40.9 Å²	40.9	31%	0.314	24%	0.239	S	C	.	.			trans	-155.5	165.2	-171.5	0	0	0	0	0	110.9	F478 G501	F478-A481 WeakPolarHBondContact CA-O 3.39Å; F478-A481 WeakPolarHBondContact CB-O 3.08Å; F478-A481 PolarHBondContact N-O 2.87Å; A481-G501 CarbonylContact C-O 3.55Å; A481-G501 WeakPolarHBondContact CA-O 3.49Å; A481-G501 WeakPolarHBondContact CB-O 3.28Å
482	T	94	Very high	91.2	Very high	10 Å²	10	45.5 Å²	45.5	6%	0.061	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.3	172.2	-59.2	0	0	0	0	108.7	I475 V476 G501 T503 T505	I475-T482 HydrophobicContact CG2-CG2 3.34Å; V476-T482 CarbonylContact O-C 3.54Å; V476-T482 WeakPolarHBondContact O-CA 3.48Å; T482-G501 PolarHBondContact N-O 3.5Å; T482-G501 WeakPolarHBondContact O-CA 3.39Å; T482-T503 PolarHBondContact OG1-O 3.07Å; T482-T505 WeakPolarHBondContact CG2-OG1 3.44Å; T482-T505 WeakPolarHBondContact OG1-CB 3.49Å; T482-T505 PolarHBondContact OG1-N 2.96Å; T482-T505 VanDerWaalsContact OG1-N 3.14Å; T482-T505 PolarHBondContact OG1-OG1 3.26Å
483	L	94	Very high	91.2	Very high	27 Å²	27	51.4 Å²	51.4	14%	0.141	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.7	173.9	-178.3	70.2	0	0	0	108.9	L452 V476 F478 L485 E493	L452-L483 HydrophobicContact CD2-CD2 4.22Å; V476-L483 HydrophobicContact CB-CB 4.39Å; V476-L483 PolarHBondContact N-O 3.04Å; V476-L483 PolarHBondContact O-N 2.83Å; F478-L483 HydrophobicContact CE2-CB 3.76Å; F478-L483 HydrophobicContact CE2-CD2 4.35Å; L483-L485 HydrophobicContact CD2-CD2 4.08Å; L483-L485 HydrophobicContact CG-CD2 4.12Å; L483-E493 HydrophobicContact CD1-CB 4.4Å; L483-E493 HydrophobicContact CD1-CG 3.53Å; L483-E493 VanDerWaalsContact CD1-OE1 3.27Å; L483-E493 WeakPolarHBondContact CD1-OE1 3.41Å
484	V	93.9	Very high	91	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.055	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.4	177.4	-178	0	0	0	0	108.5	Y473 I475 E493 V494 F499	Y473-V484 HydrophobicContact CD1-CG1 4.06Å; Y473-V484 HydrophobicContact CG-CG1 4.48Å; I475-V484 HydrophobicContact CG1-CG1 4.36Å; I475-V484 HydrophobicContact CG1-CG2 4.24Å; I475-V484 HydrophobicContact CG2-CG2 4.36Å; V484-E493 WeakPolarHBondContact O-CA 3.39Å; V484-V494 PolarHBondContact O-N 2.7Å; V484-F499 HydrophobicContact CG1-CD2 4.29Å; V484-F499 HydrophobicContact CG2-CB 3.83Å; V484-F499 HydrophobicContact CG2-CD2 4.19Å; V484-F499 HydrophobicContact CG2-CG 4.24Å
485	L	93.4	Very high	90.8	Very high	20 Å²	20	57.8 Å²	57.8	11%	0.105	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.3	176.3	-50.6	172.9	0	0	0	108.5	Y473 I474 L483 V491 E492 E493 L767	Y473-L485 CarbonylContact C-O 3.56Å; Y473-L485 VanDerWaalsContact CA-O 3.25Å; Y473-L485 WeakPolarHBondContact CA-O 3.47Å; I474-L485 HydrophobicContact CB-CB 4.26Å; I474-L485 PolarHBondContact N-O 2.96Å; I474-L485 PolarHBondContact O-N 3.36Å; L483-L485 HydrophobicContact CD2-CD2 4.08Å; L483-L485 HydrophobicContact CG-CD2 4.12Å; L485-V491 HydrophobicContact CB-CG1 3.75Å; L485-V491 HydrophobicContact CD1-CG1 3.93Å; L485-V491 HydrophobicContact CG-CG1 4.36Å; L485-E492 CarbonylContact C-O 3.59Å; L485-E492 WeakPolarHBondContact CA-O 3.28Å; L485-E493 HydrophobicContact CD2-CB 4.06Å; L485-L767 HydrophobicContact CD1-CD2 3.84Å
486	S	92.1	Very high	90.3	Very high	30 Å²	30	62.3 Å²	62.3	21%	0.21	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	141.2	168.2	59.6	0	0	0	0	110.8	A472 V491 E492 V494	A472-S486 WeakPolarHBondContact O-CA 3.4Å; S486-V491 WeakPolarHBondContact O-CA 3.47Å; S486-E492 PolarHBondContact N-O 3.11Å; S486-E492 PolarHBondContact O-N 3.22Å; S486-E492 PolarHBondContact OG-O 3.24Å; S486-V494 WeakPolarHBondContact OG-CG2 3.44Å
487	I	89	Confident	89.9	Confident	32 Å²	32	62.8 Å²	62.8	16%	0.164	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.5	175	-54.1	153.7	0	0	0	107.5	D471 A472 I474 F750	D471-I487 HydrophobicContact CB-CD1 3.69Å; D471-I487 WeakPolarHBondContact O-CD1 3.4Å; A472-I487 PolarHBondContact O-N 3.43Å; I474-I487 HydrophobicContact CD1-CD1 4.3Å; I474-I487 HydrophobicContact CD1-CG1 4.06Å; I474-I487 HydrophobicContact CG1-CD1 3.69Å; I474-I487 HydrophobicContact CG1-CG1 3.74Å; I487-F750 HydrophobicContact CD1-CD2 4.22Å; I487-F750 HydrophobicContact CD1-CE2 3.53Å; I487-F750 HydrophobicContact CD1-CZ 4.48Å; I487-F750 HydrophobicContact CG1-CE2 4.06Å; I487-F750 HydrophobicContact CG2-CE2 4.42Å; I487-F750 HydrophobicContact CG2-CZ 4.37Å
488	G	82.6	Confident	89.4	Confident	49 Å²	49	63.4 Å²	63.4	51%	0.505	36%	0.362	S	S	.	.	S	Bend	trans	-136.5	-139.9	168.6	0	0	0	0	0	109.4	T490	G488-T490 PolarHBondContact N-O 3.33Å; G488-T490 VanDerWaalsContact N-O 3.16Å
489	E	79.7	Confident	89.3	Confident	188 Å²	188	62.9 Å²	62.9	88%	0.879	36%	0.36	S	S	*	.	S	Bend	trans	-63.6	-36.3	166.8	-66.3	180	-179.5	0	0	111.3
490	T	83.7	Confident	89.4	Confident	82 Å²	82	60.8 Å²	60.8	50%	0.503	35%	0.345	S	S	.	.	S	Bend	trans	-116.6	154.5	172.3	51.8	0	0	0	0	110.1	G488 E492	G488-T490 PolarHBondContact N-O 3.33Å; G488-T490 VanDerWaalsContact N-O 3.16Å; T490-E492 PolarHBondContact OG1-OE1 3.26Å
491	V	87.1	Confident	89.4	Confident	68 Å²	68	56 Å²	56	41%	0.412	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.5	173.3	-178.6	0	0	0	0	108.6	L485 S486	L485-V491 HydrophobicContact CB-CG1 3.75Å; L485-V491 HydrophobicContact CD1-CG1 3.93Å; L485-V491 HydrophobicContact CG-CG1 4.36Å; S486-V491 WeakPolarHBondContact O-CA 3.47Å
492	E	90.3	Very high	89.3	Confident	116 Å²	116	59.7 Å²	59.7	54%	0.542	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.2	-173.2	-65.1	-175.2	-174.9	0	0	112	L485 S486 T490	L485-E492 CarbonylContact C-O 3.59Å; L485-E492 WeakPolarHBondContact CA-O 3.28Å; S486-E492 PolarHBondContact N-O 3.11Å; S486-E492 PolarHBondContact O-N 3.22Å; S486-E492 PolarHBondContact OG-O 3.24Å; T490-E492 PolarHBondContact OG1-OE1 3.26Å
493	E	91.2	Very high	89.2	Confident	135 Å²	135	60.1 Å²	60.1	63%	0.631	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	130	174.9	179.6	179.2	171.4	0	0	111.3	L483 V484 L485	L483-E493 HydrophobicContact CD1-CB 4.4Å; L483-E493 HydrophobicContact CD1-CG 3.53Å; L483-E493 VanDerWaalsContact CD1-OE1 3.27Å; L483-E493 WeakPolarHBondContact CD1-OE1 3.41Å; V484-E493 WeakPolarHBondContact O-CA 3.39Å; L485-E493 HydrophobicContact CD2-CB 4.06Å
494	V	91.4	Very high	89.2	Confident	30 Å²	30	60.5 Å²	60.5	18%	0.182	35%	0.353	C	S	.	.			trans	-127.4	129	-176.5	176.9	0	0	0	0	111.8	V484 S486 D496	V484-V494 PolarHBondContact O-N 2.7Å; S486-V494 WeakPolarHBondContact OG-CG2 3.44Å; V494-D496 WeakPolarHBondContact CG1-OD1 3.42Å
495	T	88.5	Confident	89.3	Confident	129 Å²	129	60.3 Å²	60.3	79%	0.791	35%	0.352	S	S	*	.	S	Bend	trans	-100.2	-14.1	-180	57.7	0	0	0	0	114.5
496	D	85.7	Confident	89.3	Confident	95 Å²	95	61.9 Å²	61.9	51%	0.508	36%	0.36	S	S	.	.			trans	-100.3	14.1	-173.2	82.6	-43.9	0	0	0	114.2	V494 G498 K531	V494-D496 WeakPolarHBondContact CG1-OD1 3.42Å; D496-G498 VanDerWaalsContact C-N 3.25Å; D496-G498 PolarHBondContact O-N 2.79Å; D496-K531 PolarHBondContact O-NZ 3.36Å; D496-K531 IonicContact OD2-NZ 2.65Å; D496-K531 PolarHBondContact OD2-NZ 3.39Å
497	S	85.7	Confident	89.4	Confident	9 Å²	9	61.5 Å²	61.5	6%	0.063	36%	0.357	C	S	.	.	S	Bend	trans	-69.2	-18.1	178.9	59.3	0	0	0	0	114
498	G	86.3	Confident	89.6	Confident	17 Å²	17	60.2 Å²	60.2	18%	0.175	35%	0.35	C	S	.	.	S	Bend	trans	91.7	-9.9	-176.8	0	0	0	0	0	114.4	D496 R525 I527	D496-G498 VanDerWaalsContact C-N 3.25Å; D496-G498 PolarHBondContact O-N 2.79Å; G498-R525 PolarHBondContact O-NE 3.28Å; G498-R525 VanDerWaalsContact O-NE 3.09Å; G498-R525 PolarHBondContact O-NH1 3.35Å; G498-R525 PolarHBondContact O-NH2 2.98Å; G498-I527 VanDerWaalsContact C-CD1 3.47Å; G498-I527 WeakPolarHBondContact O-CD1 3.49Å
499	F	91.9	Very high	90.1	Very high	15 Å²	15	59 Å²	59	7%	0.066	33%	0.334	C	S	.	.			trans	-69	153.1	172.2	-72.4	-73.4	0	0	0	111.9	I475 V484 C508 L516 Q518 R525 I527	I475-F499 HydrophobicContact CD1-CE2 4.21Å; I475-F499 HydrophobicContact CD1-CZ 4.22Å; I475-F499 HydrophobicContact CG1-CD2 4.39Å; I475-F499 HydrophobicContact CG1-CE2 4.2Å; I475-F499 HydrophobicContact CG1-CZ 4.37Å; V484-F499 HydrophobicContact CG1-CD2 4.29Å; V484-F499 HydrophobicContact CG2-CB 3.83Å; V484-F499 HydrophobicContact CG2-CD2 4.19Å; V484-F499 HydrophobicContact CG2-CG 4.24Å; F499-C508 HydrophobicContact CE1-CB 4.05Å; F499-C508 WeakPolarHBondContact CE1-SG 3.46Å; F499-C508 HydrophobicContact CZ-CB 4.41Å; F499-L516 HydrophobicContact CE2-CD1 4.12Å; F499-L516 HydrophobicContact CZ-CB 4.14Å; F499-L516 HydrophobicContact CZ-CD1 4.16Å; F499-Q518 HydrophobicContact CD1-CB 3.72Å; F499-Q518 HydrophobicContact CD1-CG 3.95Å; F499-Q518 HydrophobicContact CE1-CB 3.9Å; F499-Q518 HydrophobicContact CE1-CG 4.45Å; F499-R525 VanDerWaalsContact C-NH1 3.34Å; F499-R525 PolarHBondContact O-NH1 2.98Å; F499-I527 HydrophobicContact CD1-CD1 3.91Å; F499-I527 HydrophobicContact CE1-CD1 4.08Å; F499-I527 HydrophobicContact CG-CD1 4.18Å
500	L	92.2	Very high	90.7	Very high	45 Å²	45	51.3 Å²	51.3	24%	0.236	30%	0.298	C	S	.	.			trans	-89.4	108.2	175.9	-171.3	59.7	0	0	0	109.8	T502 T503 Q518 Y520 R525	L500-T502 WeakPolarHBondContact CD1-OG1 3.47Å; L500-T503 HydrophobicContact CB-CG2 4.46Å; L500-T503 HydrophobicContact CD2-CG2 3.51Å; L500-T503 HydrophobicContact CG-CG2 3.9Å; L500-Q518 PolarHBondContact O-NE2 3.06Å; L500-Y520 HydrophobicContact CD2-CD2 4.38Å; L500-Y520 HydrophobicContact CD2-CE2 4.06Å; L500-R525 VanDerWaalsContact CA-NH1 3.33Å; L500-R525 VanDerWaalsContact N-NH1 3.2Å
501	G	90.2	Very high	91	Very high	33 Å²	33	47.4 Å²	47.4	34%	0.34	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-11.9	-179.9	0	0	0	0	0	115.5	A481 T482	A481-G501 CarbonylContact C-O 3.55Å; A481-G501 WeakPolarHBondContact CA-O 3.49Å; A481-G501 WeakPolarHBondContact CB-O 3.28Å; T482-G501 PolarHBondContact N-O 3.5Å; T482-G501 WeakPolarHBondContact O-CA 3.39Å
502	T	92	Very high	91	Very high	115 Å²	115	44.6 Å²	44.6	71%	0.706	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-3.1	-170.4	58.5	0	0	0	0	115	L500	L500-T502 WeakPolarHBondContact CD1-OG1 3.47Å
503	T	92.9	Very high	90.7	Very high	19 Å²	19	44.5 Å²	44.5	12%	0.117	26%	0.262	C	S	.	.	S	Bend	trans	-135.4	150.7	-177.9	-170.8	0	0	0	0	108.8	T482 L500 T505 Y520	T482-T503 PolarHBondContact OG1-O 3.07Å; L500-T503 HydrophobicContact CB-CG2 4.46Å; L500-T503 HydrophobicContact CD2-CG2 3.51Å; L500-T503 HydrophobicContact CG-CG2 3.9Å; T503-T505 PolarHBondContact O-N 3.36Å; T503-Y520 HydrophobicContact CG2-CD2 3.67Å; T503-Y520 HydrophobicContact CG2-CE2 4.46Å; T503-Y520 HydrophobicContact CG2-CG 3.86Å
504	P	94.4	Very high	90.5	Very high	34 Å²	34	42 Å²	42	22%	0.221	25%	0.253	C	S	.	.			trans	-58.7	133.6	169.5	24.4	-36.3	0	0	0	110.8	F478 V479 Y520 P521	F478-P504 WeakPolarHBondContact O-CB 3.49Å; V479-P504 WeakPolarHBondContact O-CG 3.44Å; P504-Y520 WeakPolarHBondContact O-CB 3.38Å; P504-P521 HydrophobicContact CG-CG 4.22Å; P504-P521 WeakPolarHBondContact O-CD 3.44Å
505	T	95.2	Very high	90.5	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.031	25%	0.246	C	C	.	.			trans	-90.8	139.1	171.3	-61.4	0	0	0	0	109.8	W460 S477 T482 T503 T507 C508 Q518	W460-T505 HydrophobicContact CH2-CG2 4.33Å; W460-T505 VanDerWaalsContact CH2-O 3.31Å; W460-T505 WeakPolarHBondContact CH2-O 3.26Å; W460-T505 HydrophobicContact CZ3-CG2 3.91Å; S477-T505 WeakPolarHBondContact CB-O 3.42Å; S477-T505 PolarHBondContact OG-N 2.78Å; S477-T505 PolarHBondContact OG-O 2.88Å; T482-T505 WeakPolarHBondContact CG2-OG1 3.44Å; T482-T505 WeakPolarHBondContact OG1-CB 3.49Å; T482-T505 PolarHBondContact OG1-N 2.96Å; T482-T505 VanDerWaalsContact OG1-N 3.14Å; T482-T505 PolarHBondContact OG1-OG1 3.26Å; T503-T505 PolarHBondContact O-N 3.36Å; T505-T507 WeakPolarHBondContact CG2-O 3.36Å; T505-C508 VanDerWaalsContact CG2-SG 3.52Å; T505-Q518 HydrophobicContact CG2-CG 3.77Å; T505-Q518 PolarHBondContact OG1-NE2 3.3Å
506	L	93.5	Very high	90.7	Very high	54 Å²	54	35.3 Å²	35.3	28%	0.283	21%	0.212	S	C	.	.	S	Bend	trans	-93.2	-35.3	175.3	-67.4	175.8	0	0	0	112.6	W460 V519 P521 I544	W460-L506 WeakPolarHBondContact CH2-O 3.36Å; W460-L506 WeakPolarHBondContact CZ2-O 3.44Å; L506-V519 PolarHBondContact N-O 3.38Å; L506-P521 HydrophobicContact CD1-CG 4.44Å; L506-P521 HydrophobicContact CG-CG 4.39Å; L506-I544 HydrophobicContact CD1-CB 4.05Å; L506-I544 HydrophobicContact CD1-CG2 3.76Å; L506-I544 WeakPolarHBondContact CD1-O 3.2Å
507	T	93.9	Very high	91.1	Very high	22 Å²	22	30.8 Å²	30.8	14%	0.135	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	149.6	168.5	-166.7	0	0	0	0	111.1	T505 V519 C547 V549	T505-T507 WeakPolarHBondContact CG2-O 3.36Å; T507-V519 HydrophobicContact CG2-CB 3.9Å; T507-V519 HydrophobicContact CG2-CG2 3.76Å; T507-V519 PolarHBondContact N-O 3.07Å; T507-V519 PolarHBondContact O-N 3.03Å; T507-C547 HydrophobicContact CG2-CB 4.29Å; T507-C547 WeakPolarHBondContact CG2-SG 3.37Å; T507-V549 HydrophobicContact CG2-CG2 3.65Å
508	C	93.4	Very high	91.6	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.034	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.2	166	-77.1	0	0	0	0	108.9	W460 V462 I475 F499 T505 V517	W460-C508 HydrophobicContact CB-CB 4.37Å; V462-C508 HydrophobicContact CG2-CB 4.07Å; I475-C508 HydrophobicContact CD1-CB 4.13Å; I475-C508 HydrophobicContact CG1-CB 4.41Å; F499-C508 HydrophobicContact CE1-CB 4.05Å; F499-C508 WeakPolarHBondContact CE1-SG 3.46Å; F499-C508 HydrophobicContact CZ-CB 4.41Å; T505-C508 VanDerWaalsContact CG2-SG 3.52Å; C508-V517 WeakPolarHBondContact CA-O 3.45Å
509	S	92.6	Very high	92	Very high	24 Å²	24	29.5 Å²	29.5	17%	0.168	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	163.1	173.1	60.9	0	0	0	0	110.9	V517 V549	S509-V517 PolarHBondContact N-O 3.12Å; S509-V517 PolarHBondContact O-N 2.85Å; S509-V517 WeakPolarHBondContact OG-CG1 3.3Å; S509-V549 WeakPolarHBondContact OG-CG1 3.41Å
510	Q	91.7	Very high	92.2	Very high	25 Å²	25	29.5 Å²	29.5	12%	0.117	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	128.9	168.2	-169	-168.5	-3	0	0	109.7	V462 N465 S466 G512 D513 A515	V462-Q510 HydrophobicContact CG1-CB 3.92Å; N465-Q510 PolarHBondContact O-NE2 2.98Å; S466-Q510 VanDerWaalsContact CA-NE2 3.26Å; Q510-G512 PolarHBondContact NE2-O 3.04Å; Q510-D513 PolarHBondContact NE2-O 2.76Å; Q510-A515 WeakPolarHBondContact CG-O 3.49Å
511	L	90.5	Very high	92.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.5	177	-170.5	77.3	0	0	0	108.4	A515 V517 R551 V554 M568 L574	L511-A515 PolarHBondContact N-O 3.49Å; L511-A515 CarbonylContact O-C 3.58Å; L511-A515 WeakPolarHBondContact O-CA 3.47Å; L511-A515 VanDerWaalsContact O-CB 3.29Å; L511-A515 WeakPolarHBondContact O-CB 3.48Å; L511-A515 PolarHBondContact O-N 2.73Å; L511-V517 HydrophobicContact CB-CB 4.27Å; L511-V517 HydrophobicContact CB-CG1 4.09Å; L511-V517 HydrophobicContact CD2-CB 4.47Å; L511-R551 WeakPolarHBondContact CD1-O 3.13Å; L511-V554 HydrophobicContact CD1-CG2 4.1Å; L511-M568 HydrophobicContact CD2-SD 4.32Å; L511-M568 HydrophobicContact CG-SD 3.94Å; L511-L574 HydrophobicContact CD2-CB 4.46Å; L511-L574 HydrophobicContact CD2-CD1 4.05Å; L511-L574 HydrophobicContact CD2-CD2 4.3Å
512	G	86.9	Confident	92.4	Very high	9 Å²	9	31.6 Å²	31.6	9%	0.093	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	-153.6	-172.7	0	0	0	0	0	113.2	Q510 R551 M568	Q510-G512 PolarHBondContact NE2-O 3.04Å; G512-R551 PolarHBondContact N-O 3.42Å; G512-M568 VanDerWaalsContact CA-CE 3.41Å
513	D	84.6	Confident	92.5	Very high	115 Å²	115	26.1 Å²	26.1	62%	0.615	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-36	-174.9	-63.3	-41	0	0	0	112.5	N465 S466 Q510	N465-D513 CarbonylContact C-O 3.55Å; N465-D513 WeakPolarHBondContact CA-O 3.49Å; S466-D513 PolarHBondContact N-O 3.41Å; S466-D513 WeakPolarHBondContact OG-CA 3.42Å; S466-D513 PolarHBondContact OG-O 3.37Å; S466-D513 PolarHBondContact OG-OD1 3.39Å; Q510-D513 PolarHBondContact NE2-O 2.76Å
514	D	87.1	Confident	92.6	Very high	82 Å²	82	25.4 Å²	25.4	44%	0.439	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.7	17.3	-168.9	74.6	-29.2	0	0	0	113.8	S529	D514-S529 WeakPolarHBondContact O-CA 3.47Å; D514-S529 WeakPolarHBondContact O-CB 3.45Å; D514-S529 PolarHBondContact O-N 3.01Å; D514-S529 VanDerWaalsContact O-N 3.1Å; D514-S529 WeakPolarHBondContact OD2-CB 3.35Å; D514-S529 PolarHBondContact OD2-OG 3.38Å
515	A	91.1	Very high	92.6	Very high	4 Å²	4	26 Å²	26	3%	0.033	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	156.5	177.7	0	0	0	0	0	112.8	Q510 L511 H526 I527	Q510-A515 WeakPolarHBondContact CG-O 3.49Å; L511-A515 PolarHBondContact N-O 3.49Å; L511-A515 CarbonylContact O-C 3.58Å; L511-A515 WeakPolarHBondContact O-CA 3.47Å; L511-A515 VanDerWaalsContact O-CB 3.29Å; L511-A515 WeakPolarHBondContact O-CB 3.48Å; L511-A515 PolarHBondContact O-N 2.73Å; A515-H526 VanDerWaalsContact CB-NE2 3.34Å; A515-H526 WeakPolarHBondContact CB-NE2 3.49Å; A515-I527 CarbonylContact C-O 3.58Å; A515-I527 WeakPolarHBondContact CA-O 3.34Å; A515-I527 WeakPolarHBondContact CB-O 3.44Å
516	L	93	Very high	92.5	Very high	14 Å²	14	26.1 Å²	26.1	7%	0.073	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.4	-179.6	-56.9	163.1	0	0	0	108.2	V462 K463 F499 I527	V462-L516 HydrophobicContact CB-CD2 4.37Å; V462-L516 HydrophobicContact CG1-CD2 3.34Å; K463-L516 WeakPolarHBondContact O-CD2 3.45Å; F499-L516 HydrophobicContact CE2-CD1 4.12Å; F499-L516 HydrophobicContact CZ-CB 4.14Å; F499-L516 HydrophobicContact CZ-CD1 4.16Å; L516-I527 HydrophobicContact CB-CB 4.23Å; L516-I527 HydrophobicContact CB-CD1 4.49Å; L516-I527 PolarHBondContact N-O 2.88Å; L516-I527 PolarHBondContact O-N 2.87Å
517	V	94.2	Very high	92.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.9	173.6	65.8	0	0	0	0	110	C508 S509 L511 V519 I524 R525 V549 V554	C508-V517 WeakPolarHBondContact CA-O 3.45Å; S509-V517 PolarHBondContact N-O 3.12Å; S509-V517 PolarHBondContact O-N 2.85Å; S509-V517 WeakPolarHBondContact OG-CG1 3.3Å; L511-V517 HydrophobicContact CB-CB 4.27Å; L511-V517 HydrophobicContact CB-CG1 4.09Å; L511-V517 HydrophobicContact CD2-CB 4.47Å; V517-V519 HydrophobicContact CG2-CG2 4.43Å; V517-I524 HydrophobicContact CG2-CG2 3.52Å; V517-R525 WeakPolarHBondContact CA-O 3.17Å; V517-V549 HydrophobicContact CG1-CG1 3.97Å; V517-V554 HydrophobicContact CG1-CG2 4.46Å; V517-V554 HydrophobicContact CG2-CG2 4.45Å
518	Q	95.5	Very high	92.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.9	172.7	-177.1	-171.7	16.5	0	0	108.4	F499 L500 T505 Y520 R525	F499-Q518 HydrophobicContact CD1-CB 3.72Å; F499-Q518 HydrophobicContact CD1-CG 3.95Å; F499-Q518 HydrophobicContact CE1-CB 3.9Å; F499-Q518 HydrophobicContact CE1-CG 4.45Å; L500-Q518 PolarHBondContact O-NE2 3.06Å; T505-Q518 HydrophobicContact CG2-CG 3.77Å; T505-Q518 PolarHBondContact OG1-NE2 3.3Å; Q518-Y520 HydrophobicContact CG-CD1 4.46Å; Q518-R525 HydrophobicContact CB-CB 4.25Å; Q518-R525 PolarHBondContact N-O 2.74Å; Q518-R525 PolarHBondContact O-N 3.05Å
519	V	95.9	Very high	91.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.2	172.3	-173.3	0	0	0	0	108.3	L506 T507 V517 I524 I544 C547 V549 V554 I556	L506-V519 PolarHBondContact N-O 3.38Å; T507-V519 HydrophobicContact CG2-CB 3.9Å; T507-V519 HydrophobicContact CG2-CG2 3.76Å; T507-V519 PolarHBondContact N-O 3.07Å; T507-V519 PolarHBondContact O-N 3.03Å; V517-V519 HydrophobicContact CG2-CG2 4.43Å; V519-I524 HydrophobicContact CG1-CG1 4.3Å; V519-I524 HydrophobicContact CG2-CG1 4.36Å; V519-I524 HydrophobicContact CG2-CG2 4.29Å; V519-I544 HydrophobicContact CG1-CD1 3.75Å; V519-I544 HydrophobicContact CG1-CG2 4.02Å; V519-C547 HydrophobicContact CG1-CB 4.13Å; V519-V549 HydrophobicContact CG2-CG2 4.46Å; V519-V554 HydrophobicContact CG2-CG1 4.43Å; V519-I556 HydrophobicContact CG1-CG2 4.11Å
520	Y	95.3	Very high	91.4	Very high	15 Å²	15	31.2 Å²	31.2	6%	0.059	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	164.1	178.9	57.6	-79.1	0	0	0	108.8	L500 T503 P504 Q518 D522 G523 R525 V535	L500-Y520 HydrophobicContact CD2-CD2 4.38Å; L500-Y520 HydrophobicContact CD2-CE2 4.06Å; T503-Y520 HydrophobicContact CG2-CD2 3.67Å; T503-Y520 HydrophobicContact CG2-CE2 4.46Å; T503-Y520 HydrophobicContact CG2-CG 3.86Å; P504-Y520 WeakPolarHBondContact O-CB 3.38Å; Q518-Y520 HydrophobicContact CG-CD1 4.46Å; Y520-D522 HydrophobicContact CD2-CB 3.98Å; Y520-D522 HydrophobicContact CE2-CB 3.78Å; Y520-D522 PolarHBondContact O-N 2.79Å; Y520-G523 VanDerWaalsContact CD1-O 3.23Å; Y520-G523 WeakPolarHBondContact CD1-O 3.39Å; Y520-G523 WeakPolarHBondContact CE1-O 3.43Å; Y520-G523 PolarHBondContact N-O 2.86Å; Y520-G523 PolarHBondContact O-N 3.31Å; Y520-R525 HydrophobicContact CE1-CB 3.81Å; Y520-V535 WeakPolarHBondContact OH-CG1 3.44Å
521	P	93.8	Very high	91	Very high	29 Å²	29	35.7 Å²	35.7	19%	0.188	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.8	-170.4	-30.9	37.2	0	0	0	115.4	P504 L506 T543 I544	P504-P521 HydrophobicContact CG-CG 4.22Å; P504-P521 WeakPolarHBondContact O-CD 3.44Å; L506-P521 HydrophobicContact CD1-CG 4.44Å; L506-P521 HydrophobicContact CG-CG 4.39Å; P521-T543 CarbonylContact O-C 3.57Å; P521-T543 WeakPolarHBondContact O-CA 3.33Å; P521-T543 WeakPolarHBondContact O-CB 3.36Å; P521-I544 PolarHBondContact O-N 2.92Å
522	D	93.4	Very high	90.9	Very high	93 Å²	93	42.5 Å²	42.5	50%	0.497	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-8.2	-177.2	-54.7	-43	0	0	0	114.1	Y520 A538	Y520-D522 HydrophobicContact CD2-CB 3.98Å; Y520-D522 HydrophobicContact CE2-CB 3.78Å; Y520-D522 PolarHBondContact O-N 2.79Å; D522-A538 PolarHBondContact O-N 2.9Å
523	G	94.1	Very high	91.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-172.8	-176.2	0	0	0	0	0	116.7	Y520 W536	Y520-G523 VanDerWaalsContact CD1-O 3.23Å; Y520-G523 WeakPolarHBondContact CD1-O 3.39Å; Y520-G523 WeakPolarHBondContact CE1-O 3.43Å; Y520-G523 PolarHBondContact N-O 2.86Å; Y520-G523 PolarHBondContact O-N 3.31Å; G523-W536 CarbonylContact C-O 3.57Å; G523-W536 WeakPolarHBondContact CA-O 3.44Å
524	I	95.2	Very high	91.4	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.1	176.5	-52.3	176.8	0	0	0	107.9	V517 V519 V535 W536 I544 V554 I556 F566 L574	V517-I524 HydrophobicContact CG2-CG2 3.52Å; V519-I524 HydrophobicContact CG1-CG1 4.3Å; V519-I524 HydrophobicContact CG2-CG1 4.36Å; V519-I524 HydrophobicContact CG2-CG2 4.29Å; I524-V535 WeakPolarHBondContact O-CA 3.25Å; I524-W536 HydrophobicContact CB-CB 4.29Å; I524-W536 HydrophobicContact CD1-CE3 4.22Å; I524-W536 HydrophobicContact CG1-CE3 4.01Å; I524-W536 PolarHBondContact N-O 3.34Å; I524-W536 PolarHBondContact O-N 3.45Å; I524-I544 HydrophobicContact CG1-CD1 4.05Å; I524-V554 HydrophobicContact CD1-CG1 4.03Å; I524-I556 HydrophobicContact CD1-CD1 4.13Å; I524-I556 HydrophobicContact CD1-CG2 3.93Å; I524-I556 HydrophobicContact CG1-CG2 4.44Å; I524-F566 HydrophobicContact CD1-CD2 3.85Å; I524-F566 HydrophobicContact CD1-CE1 4.5Å; I524-F566 HydrophobicContact CD1-CE2 3.42Å; I524-F566 VanDerWaalsContact CD1-CE2 3.42Å; I524-F566 HydrophobicContact CD1-CZ 3.8Å; I524-L574 HydrophobicContact CG2-CD2 4.35Å
525	R	94.5	Very high	91.7	Very high	48 Å²	48	42.2 Å²	42.2	18%	0.181	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113.7	175.7	-173.5	178.6	-165.4	174.6	4.1	108.6	G498 F499 L500 V517 Q518 Y520 I527 V533 V535	G498-R525 PolarHBondContact O-NE 3.28Å; G498-R525 VanDerWaalsContact O-NE 3.09Å; G498-R525 PolarHBondContact O-NH1 3.35Å; G498-R525 PolarHBondContact O-NH2 2.98Å; F499-R525 VanDerWaalsContact C-NH1 3.34Å; F499-R525 PolarHBondContact O-NH1 2.98Å; L500-R525 VanDerWaalsContact CA-NH1 3.33Å; L500-R525 VanDerWaalsContact N-NH1 3.2Å; V517-R525 WeakPolarHBondContact CA-O 3.17Å; Q518-R525 HydrophobicContact CB-CB 4.25Å; Q518-R525 PolarHBondContact N-O 2.74Å; Q518-R525 PolarHBondContact O-N 3.05Å; Y520-R525 HydrophobicContact CE1-CB 3.81Å; R525-I527 HydrophobicContact CG-CG1 4.11Å; R525-V533 HydrophobicContact CG-CG1 3.34Å; R525-V535 HydrophobicContact CG-CG2 4.45Å
526	H	93.4	Very high	91.8	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.028	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.3	176.2	176	-158.7	0	0	0	108.9	A515 V533 N534 G572	A515-H526 VanDerWaalsContact CB-NE2 3.34Å; A515-H526 WeakPolarHBondContact CB-NE2 3.49Å; H526-V533 WeakPolarHBondContact O-CA 3.48Å; H526-N534 HydrophobicContact CB-CB 4.31Å; H526-N534 PolarHBondContact N-O 3.48Å; H526-N534 PolarHBondContact O-N 2.87Å; H526-G572 PolarHBondContact CE1-O 3.21Å
527	I	92.1	Very high	91.8	Very high	5 Å²	5	53 Å²	53	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.2	-173.2	-52.4	160.3	0	0	0	107.3	G498 F499 A515 L516 R525 R532 V533	G498-I527 VanDerWaalsContact C-CD1 3.47Å; G498-I527 WeakPolarHBondContact O-CD1 3.49Å; F499-I527 HydrophobicContact CD1-CD1 3.91Å; F499-I527 HydrophobicContact CE1-CD1 4.08Å; F499-I527 HydrophobicContact CG-CD1 4.18Å; A515-I527 CarbonylContact C-O 3.58Å; A515-I527 WeakPolarHBondContact CA-O 3.34Å; A515-I527 WeakPolarHBondContact CB-O 3.44Å; L516-I527 HydrophobicContact CB-CB 4.23Å; L516-I527 HydrophobicContact CB-CD1 4.49Å; L516-I527 PolarHBondContact N-O 2.88Å; L516-I527 PolarHBondContact O-N 2.87Å; R525-I527 HydrophobicContact CG-CG1 4.11Å; I527-R532 WeakPolarHBondContact CA-O 3.45Å; I527-V533 HydrophobicContact CG1-CG2 4.36Å
528	R	88.9	Confident	91.6	Very high	50 Å²	50	53.8 Å²	53.8	19%	0.189	26%	0.258	C	S	.	.			trans	-82.6	165.1	175.2	-69.2	-172.5	168.1	-148.5	-7.2	111.2	D530 K531 R532 T571 G572	R528-D530 WeakPolarHBondContact CB-OD1 3.45Å; R528-D530 PolarHBondContact O-N 2.87Å; R528-K531 WeakPolarHBondContact O-CA 3.15Å; R528-K531 PolarHBondContact O-N 2.86Å; R528-R532 PolarHBondContact N-O 2.8Å; R528-T571 PolarHBondContact NH2-O 3.28Å; R528-T571 VanDerWaalsContact NH2-O 3.12Å; R528-G572 PolarHBondContact NH2-O 2.66Å
529	S	84.3	Confident	91.3	Very high	77 Å²	77	55.8 Å²	55.8	54%	0.538	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-35.5	176.4	50.8	0	0	0	0	114.3	D514 K531	D514-S529 WeakPolarHBondContact O-CA 3.47Å; D514-S529 WeakPolarHBondContact O-CB 3.45Å; D514-S529 PolarHBondContact O-N 3.01Å; D514-S529 VanDerWaalsContact O-N 3.1Å; D514-S529 WeakPolarHBondContact OD2-CB 3.35Å; D514-S529 PolarHBondContact OD2-OG 3.38Å; S529-K531 PolarHBondContact O-N 3.07Å
530	D	84.1	Confident	90.9	Very high	80 Å²	80	59.6 Å²	59.6	43%	0.428	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	15.7	176.3	64.7	8.1	0	0	0	114.4	R528 R532	R528-D530 WeakPolarHBondContact CB-OD1 3.45Å; R528-D530 PolarHBondContact O-N 2.87Å; D530-R532 VanDerWaalsContact CG-NE 3.27Å; D530-R532 PolarHBondContact O-N 2.98Å; D530-R532 VanDerWaalsContact O-N 3.14Å; D530-R532 WeakPolarHBondContact OD1-CB 3.42Å; D530-R532 VanDerWaalsContact OD1-CG 3.28Å; D530-R532 WeakPolarHBondContact OD1-CG 3.36Å; D530-R532 PolarHBondContact OD1-N 2.93Å; D530-R532 IonicContact OD1-NE 2.75Å; D530-R532 PolarHBondContact OD1-NE 3.36Å; D530-R532 VanDerWaalsContact OD1-NE 3.16Å; D530-R532 IonicContact OD2-CZ 3.67Å; D530-R532 IonicContact OD2-NE 3.19Å; D530-R532 PolarHBondContact OD2-NE 3.36Å; D530-R532 IonicContact OD2-NH2 2.76Å; D530-R532 PolarHBondContact OD2-NH2 2.73Å
531	K	83.8	Confident	90.5	Very high	120 Å²	120	69 Å²	69	52%	0.522	35%	0.352	S	S	.	.			trans	61.5	11.6	-176.5	-51.5	-169.3	177.7	-160.4	0	114.1	D496 R528 S529	D496-K531 PolarHBondContact O-NZ 3.36Å; D496-K531 IonicContact OD2-NZ 2.65Å; D496-K531 PolarHBondContact OD2-NZ 3.39Å; R528-K531 WeakPolarHBondContact O-CA 3.15Å; R528-K531 PolarHBondContact O-N 2.86Å; S529-K531 PolarHBondContact O-N 3.07Å
532	R	88	Confident	90.4	Very high	143 Å²	143	70.9 Å²	70.9	54%	0.54	36%	0.357	S	S	.	.			trans	-67.3	138.4	169.4	-73.5	-174.8	-67.9	-178	-12.1	110	I527 R528 D530	I527-R532 WeakPolarHBondContact CA-O 3.45Å; R528-R532 PolarHBondContact N-O 2.8Å; D530-R532 VanDerWaalsContact CG-NE 3.27Å; D530-R532 PolarHBondContact O-N 2.98Å; D530-R532 VanDerWaalsContact O-N 3.14Å; D530-R532 WeakPolarHBondContact OD1-CB 3.42Å; D530-R532 VanDerWaalsContact OD1-CG 3.28Å; D530-R532 WeakPolarHBondContact OD1-CG 3.36Å; D530-R532 PolarHBondContact OD1-N 2.93Å; D530-R532 IonicContact OD1-NE 2.75Å; D530-R532 PolarHBondContact OD1-NE 3.36Å; D530-R532 VanDerWaalsContact OD1-NE 3.16Å; D530-R532 IonicContact OD2-CZ 3.67Å; D530-R532 IonicContact OD2-NE 3.19Å; D530-R532 PolarHBondContact OD2-NE 3.36Å; D530-R532 IonicContact OD2-NH2 2.76Å; D530-R532 PolarHBondContact OD2-NH2 2.73Å
533	V	90.5	Very high	90.4	Very high	47 Å²	47	69 Å²	69	29%	0.285	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.6	-175.1	178.7	0	0	0	0	109.8	R525 H526 I527 V535	R525-V533 HydrophobicContact CG-CG1 3.34Å; H526-V533 WeakPolarHBondContact O-CA 3.48Å; I527-V533 HydrophobicContact CG1-CG2 4.36Å; V533-V535 HydrophobicContact CG1-CG2 3.77Å
534	N	91.2	Very high	90.5	Very high	83 Å²	83	69.2 Å²	69.2	44%	0.444	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.8	169	-69.2	-22.7	0	0	0	109	H526	H526-N534 HydrophobicContact CB-CB 4.31Å; H526-N534 PolarHBondContact N-O 3.48Å; H526-N534 PolarHBondContact O-N 2.87Å
535	V	92.9	Very high	90.4	Very high	70 Å²	70	71.5 Å²	71.5	42%	0.424	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.2	-178.1	-176.7	0	0	0	0	109.9	Y520 I524 R525 V533 R537	Y520-V535 WeakPolarHBondContact OH-CG1 3.44Å; I524-V535 WeakPolarHBondContact O-CA 3.25Å; R525-V535 HydrophobicContact CG-CG2 4.45Å; V533-V535 HydrophobicContact CG1-CG2 3.77Å; V535-R537 HydrophobicContact CG1-CG 4.28Å
536	W	94	Very high	90.4	Very high	50 Å²	50	72.8 Å²	72.8	19%	0.189	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.8	165.5	-178.4	96.8	0	0	0	108.8	G523 I524 A538 P539 I544 I556 L558 V564 F566 E576	G523-W536 CarbonylContact C-O 3.57Å; G523-W536 WeakPolarHBondContact CA-O 3.44Å; I524-W536 HydrophobicContact CB-CB 4.29Å; I524-W536 HydrophobicContact CD1-CE3 4.22Å; I524-W536 HydrophobicContact CG1-CE3 4.01Å; I524-W536 PolarHBondContact N-O 3.34Å; I524-W536 PolarHBondContact O-N 3.45Å; W536-A538 HydrophobicContact CZ3-CB 4.31Å; W536-P539 HydrophobicContact CH2-CG 4.13Å; W536-P539 HydrophobicContact CZ2-CG 3.9Å; W536-I544 HydrophobicContact CZ3-CD1 4.15Å; W536-I556 HydrophobicContact CE3-CD1 4.3Å; W536-I556 HydrophobicContact CH2-CD1 3.42Å; W536-I556 VanDerWaalsContact CH2-CD1 3.42Å; W536-I556 HydrophobicContact CZ2-CD1 4.38Å; W536-I556 HydrophobicContact CZ3-CD1 3.38Å; W536-L558 HydrophobicContact CH2-CD2 4.47Å; W536-V564 HydrophobicContact CZ2-CG1 4.48Å; W536-F566 AromaticContact CD1-CE1 3.77Å; W536-F566 HydrophobicContact CD2-CE1 4.26Å; W536-F566 AromaticContact CD2-CZ 3.79Å; W536-F566 HydrophobicContact CD2-CZ 3.79Å; W536-F566 AromaticContact CE2-CZ 3.53Å; W536-F566 HydrophobicContact CE3-CZ 4.29Å; W536-F566 HydrophobicContact CG-CE1 4.12Å; W536-F566 HydrophobicContact CG-CZ 4.12Å; W536-F566 HydrophobicContact CH2-CZ 4.3Å; W536-F566 AromaticContact CZ2-CZ 3.81Å; W536-F566 HydrophobicContact CZ2-CZ 3.81Å; W536-F566 AromaticContact NE1-CE1 3.7Å; W536-F566 AromaticContact NE1-CZ 3.69Å; W536-E576 PolarHBondContact NE1-OE2 2.61Å
537	R	93.2	Very high	90.5	Very high	193 Å²	193	73.6 Å²	73.6	73%	0.728	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	139.2	-179.5	-66.5	-176.6	-177.5	-94.2	0.6	110.2	V535	V535-R537 HydrophobicContact CG1-CG 4.28Å
538	A	90.6	Very high	90.7	Very high	17 Å²	17	73.7 Å²	73.7	14%	0.14	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-57.7	131.2	177.1	0	0	0	0	0	111.3	D522 W536 G540 K542 L558	D522-A538 PolarHBondContact O-N 2.9Å; W536-A538 HydrophobicContact CZ3-CB 4.31Å; A538-G540 PolarHBondContact O-N 3.12Å; A538-K542 WeakPolarHBondContact CB-O 2.9Å; A538-L558 HydrophobicContact CB-CD2 4.27Å
539	P	89.2	Confident	90.9	Very high	42 Å²	42	72.8 Å²	72.8	27%	0.273	38%	0.379	S	S	.	.	S	Bend	trans	-64.2	131.2	-179	-25.5	33	0	0	0	113.5	W536 K542	W536-P539 HydrophobicContact CH2-CG 4.13Å; W536-P539 HydrophobicContact CZ2-CG 3.9Å; P539-K542 PolarHBondContact O-N 3.13Å
540	G	86	Confident	91.3	Very high	80 Å²	80	69.8 Å²	69.8	83%	0.825	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	-130.4	173.9	0	0	0	0	0	113	A538	A538-G540 PolarHBondContact O-N 3.12Å
541	K	87.6	Confident	91.6	Very high	213 Å²	213	71.9 Å²	71.9	93%	0.926	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	11.7	175.7	-64.3	-174	178.6	-177.8	0	112.5
542	K	91.3	Very high	92	Very high	69 Å²	69	68.1 Å²	68.1	30%	0.3	34%	0.341	S	S	.	.			trans	-79	146.5	179.5	-63.6	-169	176.2	-170	0	109.5	A538 P539 L558 T559 E562	A538-K542 WeakPolarHBondContact CB-O 2.9Å; P539-K542 PolarHBondContact O-N 3.13Å; K542-L558 HydrophobicContact CB-CB 4.19Å; K542-L558 HydrophobicContact CB-CD2 4.46Å; K542-L558 HydrophobicContact CD-CB 4.02Å; K542-L558 HydrophobicContact CD-CD1 4.22Å; K542-T559 VanDerWaalsContact CA-OG1 3.32Å; K542-T559 WeakPolarHBondContact CA-OG1 3.4Å; K542-T559 VanDerWaalsContact CB-OG1 3.31Å; K542-T559 WeakPolarHBondContact CB-OG1 3.38Å; K542-T559 WeakPolarHBondContact CD-O 3.46Å; K542-T559 WeakPolarHBondContact CG-OG1 3.4Å; K542-E562 IonicContact NZ-OE2 3.72Å; K542-E562 PolarHBondContact NZ-OE2 2.96Å
543	T	94.2	Very high	92.3	Very high	54 Å²	54	61.3 Å²	61.3	33%	0.331	32%	0.315	S	S	.	.			trans	-114	154.1	171.8	57	0	0	0	0	109.6	P521 T545 L558 T559	P521-T543 CarbonylContact O-C 3.57Å; P521-T543 WeakPolarHBondContact O-CA 3.33Å; P521-T543 WeakPolarHBondContact O-CB 3.36Å; T543-T545 PolarHBondContact O-N 3.42Å; T543-L558 CarbonylContact O-C 3.48Å; T543-L558 WeakPolarHBondContact O-CA 3.49Å; T543-T559 PolarHBondContact O-N 2.8Å; T543-T559 VanDerWaalsContact OG1-CG2 3.29Å; T543-T559 WeakPolarHBondContact OG1-CG2 3.21Å
544	I	95.6	Very high	92.5	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	122.9	171.4	-55.3	179.5	0	0	0	107.8	L506 V519 P521 I524 W536 I556 L558	L506-I544 HydrophobicContact CD1-CB 4.05Å; L506-I544 HydrophobicContact CD1-CG2 3.76Å; L506-I544 WeakPolarHBondContact CD1-O 3.2Å; V519-I544 HydrophobicContact CG1-CD1 3.75Å; V519-I544 HydrophobicContact CG1-CG2 4.02Å; P521-I544 PolarHBondContact O-N 2.92Å; I524-I544 HydrophobicContact CG1-CD1 4.05Å; W536-I544 HydrophobicContact CZ3-CD1 4.15Å; I544-I556 HydrophobicContact CD1-CB 4.5Å; I544-I556 HydrophobicContact CD1-CD1 3.79Å; I544-I556 HydrophobicContact CD1-CG2 4.29Å; I544-I556 HydrophobicContact CG1-CD1 4.02Å; I544-I556 HydrophobicContact CG2-CB 3.97Å; I544-I556 HydrophobicContact CG2-CG2 4.18Å; I544-L558 HydrophobicContact CG1-CD2 3.92Å
545	T	93.3	Very high	92.8	Very high	50 Å²	50	55.1 Å²	55.1	31%	0.307	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-40.1	179.3	55.8	0	0	0	0	111.7	T543 A557 T559	T543-T545 PolarHBondContact O-N 3.42Å; T545-A557 PolarHBondContact N-O 2.8Å; T545-A557 PolarHBondContact OG1-O 3.23Å; T545-A557 VanDerWaalsContact OG1-O 3.12Å; T545-T559 HydrophobicContact CG2-CG2 3.61Å
546	K	94.6	Very high	93	Very high	75 Å²	75	51.8 Å²	51.8	33%	0.326	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	157.2	-178.7	-62.8	-67.3	166.3	146.3	0	110.3	I556 A557 V587 I588 M590	K546-I556 WeakPolarHBondContact O-CA 3.42Å; K546-A557 HydrophobicContact CB-CB 4.31Å; K546-A557 PolarHBondContact O-N 3.01Å; K546-V587 HydrophobicContact CB-CG1 4.48Å; K546-I588 WeakPolarHBondContact CD-O 3.38Å; K546-I588 WeakPolarHBondContact CE-O 3.16Å; K546-I588 WeakPolarHBondContact CG-O 3.47Å; K546-I588 PolarHBondContact NZ-O 2.77Å; K546-M590 HydrophobicContact CB-CE 3.89Å; K546-M590 VanDerWaalsContact O-CE 3.26Å; K546-M590 WeakPolarHBondContact O-CE 3.3Å
547	C	95.2	Very high	93.1	Very high	24 Å²	24	49.4 Å²	49.4	16%	0.162	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	152.1	178.3	54.8	0	0	0	0	110.5	T507 V519 V555 I556 M590	T507-C547 HydrophobicContact CG2-CB 4.29Å; T507-C547 WeakPolarHBondContact CG2-SG 3.37Å; V519-C547 HydrophobicContact CG1-CB 4.13Å; C547-V555 CarbonylContact C-O 3.5Å; C547-V555 VanDerWaalsContact CA-O 3.22Å; C547-V555 WeakPolarHBondContact CA-O 3.09Å; C547-I556 HydrophobicContact CB-CG2 4.09Å; C547-M590 VanDerWaalsContact CA-CE 3.5Å
548	A	95.4	Very high	93.2	Very high	7 Å²	7	40.2 Å²	40.2	6%	0.058	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.9	167.1	0	0	0	0	0	108.1	V555 M590 L592 L605	A548-V555 PolarHBondContact N-O 3.11Å; A548-V555 PolarHBondContact O-N 2.98Å; A548-M590 HydrophobicContact CB-CB 3.79Å; A548-L592 HydrophobicContact CB-CB 4.49Å; A548-L592 HydrophobicContact CB-CD1 4.1Å; A548-L592 HydrophobicContact CB-CG 3.87Å; A548-L605 HydrophobicContact CB-CD1 4.34Å
549	V	94.2	Very high	93.3	Very high	31 Å²	31	42 Å²	42	19%	0.188	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.8	-175	-174.9	0	0	0	0	109.7	T507 S509 V517 V519 Q553 V554	T507-V549 HydrophobicContact CG2-CG2 3.65Å; S509-V549 WeakPolarHBondContact OG-CG1 3.41Å; V517-V549 HydrophobicContact CG1-CG1 3.97Å; V519-V549 HydrophobicContact CG2-CG2 4.46Å; V549-Q553 WeakPolarHBondContact CA-O 3.42Å; V549-V554 HydrophobicContact CG1-CG2 3.82Å; V549-V554 HydrophobicContact CG2-CB 4.45Å; V549-V554 HydrophobicContact CG2-CG1 4.09Å; V549-V554 HydrophobicContact CG2-CG2 4.17Å
550	N	91.8	Very high	93.2	Very high	13 Å²	13	41.7 Å²	41.7	7%	0.07	23%	0.231	C	C	.	.			trans	-132.2	-168.5	164.3	70.8	23.4	0	0	0	109.3	R552 Q553 L592	N550-R552 PolarHBondContact O-N 3.08Å; N550-R552 VanDerWaalsContact O-N 3.13Å; N550-R552 PolarHBondContact OD1-N 3.39Å; N550-Q553 PolarHBondContact N-O 2.93Å; N550-Q553 PolarHBondContact ND2-OE1 3.08Å; N550-Q553 WeakPolarHBondContact OD1-CA 3.28Å; N550-Q553 VanDerWaalsContact OD1-CB 3.24Å; N550-Q553 WeakPolarHBondContact OD1-CB 3.5Å; N550-Q553 PolarHBondContact OD1-N 2.93Å; N550-Q553 PolarHBondContact OD1-O 3.36Å; N550-L592 HydrophobicContact CB-CB 4.4Å
551	R	90.3	Very high	93.4	Very high	124 Å²	124	38 Å²	38	47%	0.468	19%	0.192	S	C	.	.	S	Bend	trans	-60	-23.6	-176.5	-73.1	-174.5	174.8	-177	-6.4	115.1	L511 G512 I595	L511-R551 WeakPolarHBondContact CD1-O 3.13Å; G512-R551 PolarHBondContact N-O 3.42Å; R551-I595 HydrophobicContact CB-CD1 4.17Å
552	R	92.5	Very high	93.7	Very high	42 Å²	42	29.3 Å²	29.3	16%	0.158	16%	0.155	C	C	.	.	S	Bend	trans	-135.5	-5.5	-176.1	-60.1	-169.9	58.7	176.3	0.7	114.8	N550 M568 I595 Q600	N550-R552 PolarHBondContact O-N 3.08Å; N550-R552 VanDerWaalsContact O-N 3.13Å; N550-R552 PolarHBondContact OD1-N 3.39Å; R552-M568 HydrophobicContact CB-CB 4.34Å; R552-M568 HydrophobicContact CG-CE 4.16Å; R552-M568 PolarHBondContact NH2-O 2.83Å; R552-M568 WeakPolarHBondContact O-CB 3.42Å; R552-M568 PolarHBondContact O-N 2.63Å; R552-I595 HydrophobicContact CB-CD1 3.56Å; R552-I595 HydrophobicContact CG-CD1 3.7Å; R552-Q600 WeakPolarHBondContact CD-O 3.44Å
553	Q	94.7	Very high	93.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.7	-172.7	-64.1	173.7	-66.2	0	0	109.7	V549 N550 Y565 F566 L592 S602	V549-Q553 WeakPolarHBondContact CA-O 3.42Å; N550-Q553 PolarHBondContact N-O 2.93Å; N550-Q553 PolarHBondContact ND2-OE1 3.08Å; N550-Q553 WeakPolarHBondContact OD1-CA 3.28Å; N550-Q553 VanDerWaalsContact OD1-CB 3.24Å; N550-Q553 WeakPolarHBondContact OD1-CB 3.5Å; N550-Q553 PolarHBondContact OD1-N 2.93Å; N550-Q553 PolarHBondContact OD1-O 3.36Å; Q553-Y565 HydrophobicContact CB-CE2 3.89Å; Q553-Y565 HydrophobicContact CG-CE2 3.88Å; Q553-Y565 WeakPolarHBondContact CG-OH 3.25Å; Q553-Y565 PolarHBondContact NE2-OH 3.23Å; Q553-F566 WeakPolarHBondContact CA-O 3.16Å; Q553-L592 HydrophobicContact CB-CD1 4.17Å; Q553-S602 PolarHBondContact NE2-O 3.38Å; Q553-S602 PolarHBondContact OE1-O 2.91Å
554	V	95.9	Very high	93.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	120.9	174.9	174.6	0	0	0	0	107.4	L511 V517 V519 I524 V549 I556 F566 L574	L511-V554 HydrophobicContact CD1-CG2 4.1Å; V517-V554 HydrophobicContact CG1-CG2 4.46Å; V517-V554 HydrophobicContact CG2-CG2 4.45Å; V519-V554 HydrophobicContact CG2-CG1 4.43Å; I524-V554 HydrophobicContact CD1-CG1 4.03Å; V549-V554 HydrophobicContact CG1-CG2 3.82Å; V549-V554 HydrophobicContact CG2-CB 4.45Å; V549-V554 HydrophobicContact CG2-CG1 4.09Å; V549-V554 HydrophobicContact CG2-CG2 4.17Å; V554-I556 HydrophobicContact CG1-CG2 4.18Å; V554-F566 HydrophobicContact CB-CB 4.2Å; V554-F566 HydrophobicContact CB-CD2 4.48Å; V554-F566 HydrophobicContact CG1-CD2 4.31Å; V554-F566 PolarHBondContact N-O 2.96Å; V554-F566 PolarHBondContact O-N 3.29Å; V554-L574 HydrophobicContact CB-CD1 4.46Å; V554-L574 HydrophobicContact CB-CD2 4.48Å; V554-L574 HydrophobicContact CG2-CD1 4.21Å; V554-L574 HydrophobicContact CG2-CD2 4.17Å
555	V	96.4	Very high	93.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.9	172.8	-179.3	0	0	0	0	108.1	C547 A548 L563 V564 Y565 M590 L592 L605 L619	C547-V555 CarbonylContact C-O 3.5Å; C547-V555 VanDerWaalsContact CA-O 3.22Å; C547-V555 WeakPolarHBondContact CA-O 3.09Å; A548-V555 PolarHBondContact N-O 3.11Å; A548-V555 PolarHBondContact O-N 2.98Å; V555-L563 HydrophobicContact CG1-CD2 4.44Å; V555-V564 WeakPolarHBondContact CA-O 3.35Å; V555-Y565 HydrophobicContact CG2-CD2 3.67Å; V555-Y565 HydrophobicContact CG2-CE2 4.41Å; V555-M590 HydrophobicContact CG1-CE 4.42Å; V555-M590 HydrophobicContact CG1-SD 4.01Å; V555-L592 HydrophobicContact CG2-CD1 4.17Å; V555-L605 HydrophobicContact CB-CD1 4.34Å; V555-L605 HydrophobicContact CB-CD2 4.43Å; V555-L605 HydrophobicContact CG1-CD1 4.3Å; V555-L605 HydrophobicContact CG1-CD2 3.78Å; V555-L605 HydrophobicContact CG2-CD1 4.24Å; V555-L605 HydrophobicContact CG2-CD2 4.09Å; V555-L619 HydrophobicContact CG2-CD1 4.41Å
556	I	96.6	Very high	94	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.9	174.7	63.2	168.8	0	0	0	110.2	V519 I524 W536 I544 K546 C547 V554 L558 L563 V564 F566	V519-I556 HydrophobicContact CG1-CG2 4.11Å; I524-I556 HydrophobicContact CD1-CD1 4.13Å; I524-I556 HydrophobicContact CD1-CG2 3.93Å; I524-I556 HydrophobicContact CG1-CG2 4.44Å; W536-I556 HydrophobicContact CE3-CD1 4.3Å; W536-I556 HydrophobicContact CH2-CD1 3.42Å; W536-I556 VanDerWaalsContact CH2-CD1 3.42Å; W536-I556 HydrophobicContact CZ2-CD1 4.38Å; W536-I556 HydrophobicContact CZ3-CD1 3.38Å; I544-I556 HydrophobicContact CD1-CB 4.5Å; I544-I556 HydrophobicContact CD1-CD1 3.79Å; I544-I556 HydrophobicContact CD1-CG2 4.29Å; I544-I556 HydrophobicContact CG1-CD1 4.02Å; I544-I556 HydrophobicContact CG2-CB 3.97Å; I544-I556 HydrophobicContact CG2-CG2 4.18Å; K546-I556 WeakPolarHBondContact O-CA 3.42Å; C547-I556 HydrophobicContact CB-CG2 4.09Å; V554-I556 HydrophobicContact CG1-CG2 4.18Å; I556-L558 HydrophobicContact CD1-CD2 4.31Å; I556-L563 WeakPolarHBondContact O-CA 3.48Å; I556-V564 HydrophobicContact CD1-CB 4.11Å; I556-V564 HydrophobicContact CD1-CG2 4.41Å; I556-V564 HydrophobicContact CG1-CB 3.72Å; I556-V564 HydrophobicContact CG1-CG2 4.29Å; I556-V564 PolarHBondContact N-O 2.86Å; I556-V564 PolarHBondContact O-N 3.27Å; I556-F566 HydrophobicContact CD1-CE2 3.84Å; I556-F566 HydrophobicContact CD1-CZ 4.38Å; I556-F566 HydrophobicContact CG1-CE2 3.94Å
557	A	96.3	Very high	94	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.6	169.1	0	0	0	0	0	108.3	T545 K546 E562 L563 V587 M590	T545-A557 PolarHBondContact N-O 2.8Å; T545-A557 PolarHBondContact OG1-O 3.23Å; T545-A557 VanDerWaalsContact OG1-O 3.12Å; K546-A557 HydrophobicContact CB-CB 4.31Å; K546-A557 PolarHBondContact O-N 3.01Å; A557-E562 WeakPolarHBondContact CA-O 3.19Å; A557-L563 HydrophobicContact CB-CD2 3.91Å; A557-V587 HydrophobicContact CB-CB 3.8Å; A557-V587 HydrophobicContact CB-CG1 3.91Å; A557-V587 HydrophobicContact CB-CG2 4.1Å; A557-M590 HydrophobicContact CB-CE 3.71Å; A557-M590 HydrophobicContact CB-SD 4.09Å
558	L	95.3	Very high	93.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	161.3	173	-62.2	172.8	0	0	0	110.2	W536 A538 K542 T543 I544 I556 G560 G561 E562 V564	W536-L558 HydrophobicContact CH2-CD2 4.47Å; A538-L558 HydrophobicContact CB-CD2 4.27Å; K542-L558 HydrophobicContact CB-CB 4.19Å; K542-L558 HydrophobicContact CB-CD2 4.46Å; K542-L558 HydrophobicContact CD-CB 4.02Å; K542-L558 HydrophobicContact CD-CD1 4.22Å; T543-L558 CarbonylContact O-C 3.48Å; T543-L558 WeakPolarHBondContact O-CA 3.49Å; I544-L558 HydrophobicContact CG1-CD2 3.92Å; I556-L558 HydrophobicContact CD1-CD2 4.31Å; L558-G560 PolarHBondContact O-N 2.88Å; L558-G561 PolarHBondContact O-N 3.46Å; L558-E562 HydrophobicContact CB-CB 4.37Å; L558-E562 PolarHBondContact N-O 3.15Å; L558-V564 HydrophobicContact CD1-CG2 3.97Å; L558-V564 HydrophobicContact CG-CG2 4.39Å
559	T	92.3	Very high	93.5	Very high	53 Å²	53	21 Å²	21	33%	0.325	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	128.5	169.4	51.1	0	0	0	0	111.3	K542 T543 T545	K542-T559 VanDerWaalsContact CA-OG1 3.32Å; K542-T559 WeakPolarHBondContact CA-OG1 3.4Å; K542-T559 VanDerWaalsContact CB-OG1 3.31Å; K542-T559 WeakPolarHBondContact CB-OG1 3.38Å; K542-T559 WeakPolarHBondContact CD-O 3.46Å; K542-T559 WeakPolarHBondContact CG-OG1 3.4Å; T543-T559 PolarHBondContact O-N 2.8Å; T543-T559 VanDerWaalsContact OG1-CG2 3.29Å; T543-T559 WeakPolarHBondContact OG1-CG2 3.21Å; T545-T559 HydrophobicContact CG2-CG2 3.61Å
560	G	87.6	Confident	93	Very high	37 Å²	37	27 Å²	27	38%	0.381	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	7.5	-172.7	0	0	0	0	0	114.6	L558	L558-G560 PolarHBondContact O-N 2.88Å
561	G	89.8	Confident	92.8	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.01	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	21.2	172.7	0	0	0	0	0	115.1	L558 M583	L558-G561 PolarHBondContact O-N 3.46Å; G561-M583 WeakPolarHBondContact O-CB 3.35Å; G561-M583 WeakPolarHBondContact O-CG 3.29Å; G561-M583 PolarHBondContact O-N 3.18Å
562	E	93.9	Very high	92.5	Very high	32 Å²	32	25.8 Å²	25.8	15%	0.15	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.4	175.6	-175.7	-175.8	179.3	0	0	110.4	K542 A557 L558 R580	K542-E562 IonicContact NZ-OE2 3.72Å; K542-E562 PolarHBondContact NZ-OE2 2.96Å; A557-E562 WeakPolarHBondContact CA-O 3.19Å; L558-E562 HydrophobicContact CB-CB 4.37Å; L558-E562 PolarHBondContact N-O 3.15Å; E562-R580 HydrophobicContact CG-CB 4.1Å; E562-R580 WeakPolarHBondContact OE1-CD 3.47Å; E562-R580 IonicContact OE1-NE 3.65Å; E562-R580 IonicContact OE1-NH1 2.62Å; E562-R580 PolarHBondContact OE1-NH1 3.18Å
563	L	95.4	Very high	92.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	132.6	176.3	-62.4	177.7	0	0	0	111	V555 I556 A557 R580 K581 M583 V587 M590 V607 L617	V555-L563 HydrophobicContact CG1-CD2 4.44Å; I556-L563 WeakPolarHBondContact O-CA 3.48Å; A557-L563 HydrophobicContact CB-CD2 3.91Å; L563-R580 WeakPolarHBondContact O-CA 3.28Å; L563-K581 HydrophobicContact CB-CB 4.33Å; L563-K581 PolarHBondContact N-O 3Å; L563-K581 PolarHBondContact O-N 2.94Å; L563-K581 VanDerWaalsContact O-N 3.15Å; L563-M583 HydrophobicContact CD1-CG 3.85Å; L563-M583 HydrophobicContact CD1-SD 3.72Å; L563-M583 HydrophobicContact CG-CG 3.95Å; L563-M583 HydrophobicContact CG-SD 4.45Å; L563-V587 HydrophobicContact CD2-CG2 4.16Å; L563-M590 HydrophobicContact CD2-SD 3.5Å; L563-M590 VanDerWaalsContact CD2-SD 3.5Å; L563-V607 HydrophobicContact CD1-CG2 4.22Å; L563-L617 HydrophobicContact CD1-CD1 3.54Å
564	V	95.6	Very high	92.1	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.4	171.6	-169.4	0	0	0	0	108.2	W536 V555 I556 L558 F566 E576 R580	W536-V564 HydrophobicContact CZ2-CG1 4.48Å; V555-V564 WeakPolarHBondContact CA-O 3.35Å; I556-V564 HydrophobicContact CD1-CB 4.11Å; I556-V564 HydrophobicContact CD1-CG2 4.41Å; I556-V564 HydrophobicContact CG1-CB 3.72Å; I556-V564 HydrophobicContact CG1-CG2 4.29Å; I556-V564 PolarHBondContact N-O 2.86Å; I556-V564 PolarHBondContact O-N 3.27Å; L558-V564 HydrophobicContact CD1-CG2 3.97Å; L558-V564 HydrophobicContact CG-CG2 4.39Å; V564-F566 HydrophobicContact CB-CE2 4.11Å; V564-F566 HydrophobicContact CG1-CD2 4.36Å; V564-F566 HydrophobicContact CG1-CE1 4.49Å; V564-F566 HydrophobicContact CG1-CE2 3.6Å; V564-F566 HydrophobicContact CG1-CZ 3.67Å; V564-E576 HydrophobicContact CG1-CG 3.73Å; V564-R580 HydrophobicContact CG2-CG 4.16Å
565	Y	95.6	Very high	91.9	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.4	179.7	171.1	-125.5	0	0	0	109.9	Q553 V555 E567 Y577 L619	Q553-Y565 HydrophobicContact CB-CE2 3.89Å; Q553-Y565 HydrophobicContact CG-CE2 3.88Å; Q553-Y565 WeakPolarHBondContact CG-OH 3.25Å; Q553-Y565 PolarHBondContact NE2-OH 3.23Å; V555-Y565 HydrophobicContact CG2-CD2 3.67Å; V555-Y565 HydrophobicContact CG2-CE2 4.41Å; Y565-E567 HydrophobicContact CE1-CB 4.18Å; Y565-E567 WeakPolarHBondContact OH-CG 3.27Å; Y565-E567 PolarHBondContact OH-OE2 2.93Å; Y565-Y577 HydrophobicContact CD1-CG 4.07Å; Y565-Y577 WeakPolarHBondContact O-CB 3.47Å; Y565-Y577 PolarHBondContact O-N 3.35Å; Y565-L619 HydrophobicContact CD2-CD2 4.26Å; Y565-L619 HydrophobicContact CE2-CD1 4.17Å; Y565-L619 HydrophobicContact CE2-CD2 4.37Å; Y565-L619 HydrophobicContact CG-CD2 4.39Å
566	F	95.2	Very high	91.8	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	142.5	172.7	-54.5	-100.3	0	0	0	110.5	I524 W536 Q553 V554 I556 V564 L574 N575 E576	I524-F566 HydrophobicContact CD1-CD2 3.85Å; I524-F566 HydrophobicContact CD1-CE1 4.5Å; I524-F566 HydrophobicContact CD1-CE2 3.42Å; I524-F566 VanDerWaalsContact CD1-CE2 3.42Å; I524-F566 HydrophobicContact CD1-CZ 3.8Å; W536-F566 AromaticContact CD1-CE1 3.77Å; W536-F566 HydrophobicContact CD2-CE1 4.26Å; W536-F566 AromaticContact CD2-CZ 3.79Å; W536-F566 HydrophobicContact CD2-CZ 3.79Å; W536-F566 AromaticContact CE2-CZ 3.53Å; W536-F566 HydrophobicContact CE3-CZ 4.29Å; W536-F566 HydrophobicContact CG-CE1 4.12Å; W536-F566 HydrophobicContact CG-CZ 4.12Å; W536-F566 HydrophobicContact CH2-CZ 4.3Å; W536-F566 AromaticContact CZ2-CZ 3.81Å; W536-F566 HydrophobicContact CZ2-CZ 3.81Å; W536-F566 AromaticContact NE1-CE1 3.7Å; W536-F566 AromaticContact NE1-CZ 3.69Å; Q553-F566 WeakPolarHBondContact CA-O 3.16Å; V554-F566 HydrophobicContact CB-CB 4.2Å; V554-F566 HydrophobicContact CB-CD2 4.48Å; V554-F566 HydrophobicContact CG1-CD2 4.31Å; V554-F566 PolarHBondContact N-O 2.96Å; V554-F566 PolarHBondContact O-N 3.29Å; I556-F566 HydrophobicContact CD1-CE2 3.84Å; I556-F566 HydrophobicContact CD1-CZ 4.38Å; I556-F566 HydrophobicContact CG1-CE2 3.94Å; V564-F566 HydrophobicContact CB-CE2 4.11Å; V564-F566 HydrophobicContact CG1-CD2 4.36Å; V564-F566 HydrophobicContact CG1-CE1 4.49Å; V564-F566 HydrophobicContact CG1-CE2 3.6Å; V564-F566 HydrophobicContact CG1-CZ 3.67Å; F566-L574 HydrophobicContact CB-CD1 3.49Å; F566-L574 VanDerWaalsContact CB-CD1 3.49Å; F566-L574 HydrophobicContact CB-CD2 4.16Å; F566-L574 HydrophobicContact CB-CG 3.66Å; F566-L574 HydrophobicContact CD1-CG 4.29Å; F566-L574 HydrophobicContact CG-CD2 4.44Å; F566-L574 HydrophobicContact CG-CG 4.25Å; F566-N575 CarbonylContact C-O 3.42Å; F566-N575 WeakPolarHBondContact CA-O 3.3Å; F566-E576 HydrophobicContact CD1-CB 3.78Å; F566-E576 HydrophobicContact CD1-CG 4.24Å; F566-E576 HydrophobicContact CE1-CB 3.63Å; F566-E576 HydrophobicContact CE1-CG 3.82Å; F566-E576 HydrophobicContact CZ-CG 4.23Å
567	E	93.7	Very high	91.6	Very high	42 Å²	42	40 Å²	40	20%	0.196	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.5	179.7	-167.9	175.7	147.7	0	0	111	Y565 N575 R601	Y565-E567 HydrophobicContact CE1-CB 4.18Å; Y565-E567 WeakPolarHBondContact OH-CG 3.27Å; Y565-E567 PolarHBondContact OH-OE2 2.93Å; E567-N575 PolarHBondContact N-O 3.49Å; E567-N575 PolarHBondContact O-N 3.42Å; E567-R601 IonicContact OE1-CZ 2.84Å; E567-R601 IonicContact OE1-NH1 3.78Å; E567-R601 PolarHBondContact OE1-NH1 3.4Å; E567-R601 IonicContact OE1-NH2 3.82Å; E567-R601 PolarHBondContact OE1-NH2 2.77Å; E567-R601 IonicContact OE2-CZ 2.93Å; E567-R601 IonicContact OE2-NH1 3.77Å; E567-R601 PolarHBondContact OE2-NH1 2.68Å; E567-R601 IonicContact OE2-NH2 3.11Å
568	M	91.5	Very high	91.3	Very high	18 Å²	18	46.1 Å²	46.1	9%	0.089	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	116.9	176.5	-164.5	-172.1	76.2	0	0	110.5	L511 G512 R552 Q573	L511-M568 HydrophobicContact CD2-SD 4.32Å; L511-M568 HydrophobicContact CG-SD 3.94Å; G512-M568 VanDerWaalsContact CA-CE 3.41Å; R552-M568 HydrophobicContact CB-CB 4.34Å; R552-M568 HydrophobicContact CG-CE 4.16Å; R552-M568 PolarHBondContact NH2-O 2.83Å; R552-M568 WeakPolarHBondContact O-CB 3.42Å; R552-M568 PolarHBondContact O-N 2.63Å; M568-Q573 WeakPolarHBondContact CA-O 3.18Å
569	D	89	Confident	91.1	Very high	43 Å²	43	52 Å²	52	23%	0.23	28%	0.282	C	S	.	.			trans	-74.5	175.2	174.4	69.5	24	0	0	0	112.6	T571 G572 Q573 N575	D569-T571 VanDerWaalsContact CG-OG1 3.27Å; D569-T571 PolarHBondContact O-N 3.27Å; D569-T571 VanDerWaalsContact O-N 3.17Å; D569-T571 VanDerWaalsContact OD1-CA 3.25Å; D569-T571 WeakPolarHBondContact OD1-CA 3.44Å; D569-T571 WeakPolarHBondContact OD1-CB 3.26Å; D569-T571 PolarHBondContact OD1-N 3.47Å; D569-T571 PolarHBondContact OD1-OG1 2.9Å; D569-T571 PolarHBondContact OD2-OG1 2.75Å; D569-G572 PolarHBondContact O-N 3.39Å; D569-G572 VanDerWaalsContact O-N 3.09Å; D569-G572 PolarHBondContact OD1-N 2.67Å; D569-G572 VanDerWaalsContact OD1-N 3.11Å; D569-Q573 PolarHBondContact N-O 3.32Å; D569-Q573 PolarHBondContact OD1-N 3.38Å; D569-N575 PolarHBondContact OD2-ND2 2.89Å
570	M	84.6	Confident	91.1	Very high	156 Å²	156	53.9 Å²	53.9	77%	0.768	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.2	178.2	-61	-61.5	-64.8	0	0	113.5	G572	M570-G572 VanDerWaalsContact C-N 3.32Å
571	T	85.9	Confident	91.3	Very high	91 Å²	91	56 Å²	56	56%	0.558	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	3.6	176.1	78.6	0	0	0	0	112.5	R528 D569 Q573	R528-T571 PolarHBondContact NH2-O 3.28Å; R528-T571 VanDerWaalsContact NH2-O 3.12Å; D569-T571 VanDerWaalsContact CG-OG1 3.27Å; D569-T571 PolarHBondContact O-N 3.27Å; D569-T571 VanDerWaalsContact O-N 3.17Å; D569-T571 VanDerWaalsContact OD1-CA 3.25Å; D569-T571 WeakPolarHBondContact OD1-CA 3.44Å; D569-T571 WeakPolarHBondContact OD1-CB 3.26Å; D569-T571 PolarHBondContact OD1-N 3.47Å; D569-T571 PolarHBondContact OD1-OG1 2.9Å; D569-T571 PolarHBondContact OD2-OG1 2.75Å; T571-Q573 VanDerWaalsContact C-N 3.26Å; T571-Q573 PolarHBondContact O-N 3.17Å
572	G	85.2	Confident	91.4	Very high	21 Å²	21	63 Å²	63	22%	0.216	31%	0.314	C	S	.	.	S	Bend	trans	67.4	24.3	-175	0	0	0	0	0	112.5	H526 R528 D569 M570	H526-G572 PolarHBondContact CE1-O 3.21Å; R528-G572 PolarHBondContact NH2-O 2.66Å; D569-G572 PolarHBondContact O-N 3.39Å; D569-G572 VanDerWaalsContact O-N 3.09Å; D569-G572 PolarHBondContact OD1-N 2.67Å; D569-G572 VanDerWaalsContact OD1-N 3.11Å; M570-G572 VanDerWaalsContact C-N 3.32Å
573	Q	87.9	Confident	91.4	Very high	98 Å²	98	62.1 Å²	62.1	46%	0.458	31%	0.31	S	S	.	.			trans	-94.1	140.7	169.9	-68.6	-171.5	22.8	0	0	109.8	M568 D569 T571	M568-Q573 WeakPolarHBondContact CA-O 3.18Å; D569-Q573 PolarHBondContact N-O 3.32Å; D569-Q573 PolarHBondContact OD1-N 3.38Å; T571-Q573 VanDerWaalsContact C-N 3.26Å; T571-Q573 PolarHBondContact O-N 3.17Å
574	L	90.4	Very high	91.2	Very high	33 Å²	33	66.4 Å²	66.4	17%	0.173	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	105.9	178.5	-175.3	63.6	0	0	0	108.3	L511 I524 V554 F566	L511-L574 HydrophobicContact CD2-CB 4.46Å; L511-L574 HydrophobicContact CD2-CD1 4.05Å; L511-L574 HydrophobicContact CD2-CD2 4.3Å; I524-L574 HydrophobicContact CG2-CD2 4.35Å; V554-L574 HydrophobicContact CB-CD1 4.46Å; V554-L574 HydrophobicContact CB-CD2 4.48Å; V554-L574 HydrophobicContact CG2-CD1 4.21Å; V554-L574 HydrophobicContact CG2-CD2 4.17Å; F566-L574 HydrophobicContact CB-CD1 3.49Å; F566-L574 VanDerWaalsContact CB-CD1 3.49Å; F566-L574 HydrophobicContact CB-CD2 4.16Å; F566-L574 HydrophobicContact CB-CG 3.66Å; F566-L574 HydrophobicContact CD1-CG 4.29Å; F566-L574 HydrophobicContact CG-CD2 4.44Å; F566-L574 HydrophobicContact CG-CG 4.25Å
575	N	92.4	Very high	91.1	Very high	73 Å²	73	67.5 Å²	67.5	39%	0.39	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.9	-174.3	-65.5	-36.4	0	0	0	110.7	F566 E567 D569	F566-N575 CarbonylContact C-O 3.42Å; F566-N575 WeakPolarHBondContact CA-O 3.3Å; E567-N575 PolarHBondContact N-O 3.49Å; E567-N575 PolarHBondContact O-N 3.42Å; D569-N575 PolarHBondContact OD2-ND2 2.89Å
576	E	93.6	Very high	91	Very high	70 Å²	70	71.8 Å²	71.8	33%	0.327	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.8	173.5	-170.9	177.3	154.4	0	0	109.9	W536 V564 F566 R580	W536-E576 PolarHBondContact NE1-OE2 2.61Å; V564-E576 HydrophobicContact CG1-CG 3.73Å; F566-E576 HydrophobicContact CD1-CB 3.78Å; F566-E576 HydrophobicContact CD1-CG 4.24Å; F566-E576 HydrophobicContact CE1-CB 3.63Å; F566-E576 HydrophobicContact CE1-CG 3.82Å; F566-E576 HydrophobicContact CZ-CG 4.23Å; E576-R580 IonicContact OE1-CZ 3.82Å; E576-R580 VanDerWaalsContact OE1-CZ 3.27Å; E576-R580 IonicContact OE1-NE 2.66Å; E576-R580 PolarHBondContact OE1-NE 2.94Å; E576-R580 IonicContact OE1-NH2 2.73Å; E576-R580 PolarHBondContact OE1-NH2 2.89Å; E576-R580 IonicContact OE2-NH2 3.84Å
577	Y	92.7	Very high	91	Very high	65 Å²	65	71.9 Å²	71.9	26%	0.255	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-68	140.2	170.9	-173.7	-113.6	0	0	0	110.2	Y565 E579 C624 L625	Y565-Y577 HydrophobicContact CD1-CG 4.07Å; Y565-Y577 WeakPolarHBondContact O-CB 3.47Å; Y565-Y577 PolarHBondContact O-N 3.35Å; Y577-E579 VanDerWaalsContact C-N 3.25Å; Y577-E579 HydrophobicContact CD1-CB 4.12Å; Y577-E579 WeakPolarHBondContact CD1-O 3.39Å; Y577-E579 HydrophobicContact CE1-CB 3.75Å; Y577-E579 HydrophobicContact CE1-CG 4.24Å; Y577-E579 PolarHBondContact O-N 3.35Å; Y577-C624 HydrophobicContact CE1-CB 3.96Å; Y577-C624 HydrophobicContact CE2-CB 4.24Å; Y577-L625 HydrophobicContact CD1-CD1 4.13Å; Y577-L625 HydrophobicContact CE1-CD1 4.47Å
578	T	90.1	Very high	91.1	Very high	130 Å²	130	72.1 Å²	72.1	80%	0.798	37%	0.373	S	S	*	.	S	Bend	trans	-66.4	-26.4	-169	48.5	0	0	0	0	113.8
579	E	90.1	Very high	91.3	Very high	122 Å²	122	71.5 Å²	71.5	57%	0.57	37%	0.371	S	S	*	.			trans	-103.8	139.6	179	-57.8	-171.9	163.9	0	0	111.5	Y577	Y577-E579 VanDerWaalsContact C-N 3.25Å; Y577-E579 HydrophobicContact CD1-CB 4.12Å; Y577-E579 WeakPolarHBondContact CD1-O 3.39Å; Y577-E579 HydrophobicContact CE1-CB 3.75Å; Y577-E579 HydrophobicContact CE1-CG 4.24Å; Y577-E579 PolarHBondContact O-N 3.35Å
580	R	92.4	Very high	91.6	Very high	94 Å²	94	70.3 Å²	70.3	36%	0.355	36%	0.364	S	S	.	.			trans	-111.5	143.1	172.4	-60.9	-179.2	-177.6	174.6	0.2	109	E562 L563 V564 E576	E562-R580 HydrophobicContact CG-CB 4.1Å; E562-R580 WeakPolarHBondContact OE1-CD 3.47Å; E562-R580 IonicContact OE1-NE 3.65Å; E562-R580 IonicContact OE1-NH1 2.62Å; E562-R580 PolarHBondContact OE1-NH1 3.18Å; L563-R580 WeakPolarHBondContact O-CA 3.28Å; V564-R580 HydrophobicContact CG2-CG 4.16Å; E576-R580 IonicContact OE1-CZ 3.82Å; E576-R580 VanDerWaalsContact OE1-CZ 3.27Å; E576-R580 IonicContact OE1-NE 2.66Å; E576-R580 PolarHBondContact OE1-NE 2.94Å; E576-R580 IonicContact OE1-NH2 2.73Å; E576-R580 PolarHBondContact OE1-NH2 2.89Å; E576-R580 IonicContact OE2-NH2 3.84Å
581	K	92.2	Very high	92.1	Very high	82 Å²	82	63.3 Å²	63.3	36%	0.357	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118.8	-174.8	-174.3	72.3	174.2	-170.8	0	110.5	L563 M583 L625	L563-K581 HydrophobicContact CB-CB 4.33Å; L563-K581 PolarHBondContact N-O 3Å; L563-K581 PolarHBondContact O-N 2.94Å; L563-K581 VanDerWaalsContact O-N 3.15Å; K581-M583 HydrophobicContact CG-SD 4.35Å; K581-L625 HydrophobicContact CB-CB 4.07Å; K581-L625 HydrophobicContact CB-CD1 4.04Å; K581-L625 HydrophobicContact CG-CB 4.45Å
582	E	92.8	Very high	92.5	Very high	147 Å²	147	59.4 Å²	59.4	69%	0.687	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	126	171.7	-164.5	172.1	-169.1	0	0	110.1
583	M	93.4	Very high	92.8	Very high	13 Å²	13	58.5 Å²	58.5	6%	0.064	30%	0.298	C	S	.	.			trans	-87	150.7	175.9	-61.8	-58.3	-73.7	0	0	110.2	G561 L563 K581 A585 V587 V607 L609 L617	G561-M583 WeakPolarHBondContact O-CB 3.35Å; G561-M583 WeakPolarHBondContact O-CG 3.29Å; G561-M583 PolarHBondContact O-N 3.18Å; L563-M583 HydrophobicContact CD1-CG 3.85Å; L563-M583 HydrophobicContact CD1-SD 3.72Å; L563-M583 HydrophobicContact CG-CG 3.95Å; L563-M583 HydrophobicContact CG-SD 4.45Å; K581-M583 HydrophobicContact CG-SD 4.35Å; M583-A585 PolarHBondContact O-N 2.8Å; M583-V587 HydrophobicContact CB-CG2 4.26Å; M583-V587 HydrophobicContact CG-CG2 3.97Å; M583-V607 HydrophobicContact CE-CB 4.39Å; M583-V607 HydrophobicContact CE-CG1 4.11Å; M583-L609 HydrophobicContact CB-CD2 3.99Å; M583-L609 HydrophobicContact CE-CD1 3.99Å; M583-L609 HydrophobicContact CE-CD2 3.99Å; M583-L609 HydrophobicContact CE-CG 4.37Å; M583-L609 HydrophobicContact CG-CD2 4.33Å; M583-L617 HydrophobicContact SD-CD1 4.38Å
584	P	91.6	Very high	92.8	Very high	91 Å²	91	59 Å²	59	59%	0.591	30%	0.295	S	S	*	.	S	Bend	trans	-72.6	-11.7	-175.9	27.8	-33.9	0	0	0	114.4	L609 R615	P584-L609 HydrophobicContact CG-CD1 4.12Å; P584-R615 VanDerWaalsContact CG-CZ 3.43Å; P584-R615 VanDerWaalsContact CG-NH1 3.33Å
585	A	92.6	Very high	92.7	Very high	22 Å²	22	58.5 Å²	58.5	18%	0.182	29%	0.292	C	S	.	.	S	Bend	trans	-144.3	165.6	176.2	0	0	0	0	0	108.8	M583 L609 D611	M583-A585 PolarHBondContact O-N 2.8Å; A585-L609 HydrophobicContact CB-CB 4.3Å; A585-D611 HydrophobicContact CB-CB 4.14Å
586	D	93.7	Very high	92.4	Very high	92 Å²	92	57.3 Å²	57.3	49%	0.492	29%	0.289	S	S	.	.			trans	-62.2	139.3	177.4	-72.7	-39.6	0	0	0	111.4	L609 A610	D586-L609 WeakPolarHBondContact O-CA 3.36Å; D586-A610 PolarHBondContact O-N 2.79Å
587	V	95.6	Very high	91.7	Very high	7 Å²	7	59.1 Å²	59.1	4%	0.042	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	118.1	178.8	178.1	0	0	0	0	109.3	K546 A557 L563 M583 M590 V607 L609	K546-V587 HydrophobicContact CB-CG1 4.48Å; A557-V587 HydrophobicContact CB-CB 3.8Å; A557-V587 HydrophobicContact CB-CG1 3.91Å; A557-V587 HydrophobicContact CB-CG2 4.1Å; L563-V587 HydrophobicContact CD2-CG2 4.16Å; M583-V587 HydrophobicContact CB-CG2 4.26Å; M583-V587 HydrophobicContact CG-CG2 3.97Å; V587-M590 HydrophobicContact CG1-CG 3.48Å; V587-M590 VanDerWaalsContact CG1-CG 3.48Å; V587-M590 HydrophobicContact CG1-SD 3.91Å; V587-V607 HydrophobicContact CB-CG1 4.4Å; V587-V607 HydrophobicContact CG1-CG1 3.74Å; V587-V607 HydrophobicContact CG2-CG1 3.86Å; V587-L609 HydrophobicContact CG2-CD2 3.85Å
588	I	95.4	Very high	91.2	Very high	46 Å²	46	63.8 Å²	63.8	24%	0.236	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-36.2	-179.3	-56.4	-62.2	0	0	0	111.5	K546 G608 A610 T636 P637	K546-I588 WeakPolarHBondContact CD-O 3.38Å; K546-I588 WeakPolarHBondContact CE-O 3.16Å; K546-I588 WeakPolarHBondContact CG-O 3.47Å; K546-I588 PolarHBondContact NZ-O 2.77Å; I588-G608 PolarHBondContact N-O 2.97Å; I588-A610 HydrophobicContact CD1-CB 4.1Å; I588-A610 HydrophobicContact CG1-CB 4.09Å; I588-T636 HydrophobicContact CG1-CG2 4.24Å; I588-P637 WeakPolarHBondContact CG2-O 3.45Å
589	C	95.3	Very high	91	Very high	6 Å²	6	62.6 Å²	62.6	4%	0.041	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	154.4	179.6	57.1	0	0	0	0	111.2	G608 E638	C589-G608 PolarHBondContact N-O 3.35Å; C589-G608 PolarHBondContact O-N 3.36Å; C589-E638 WeakPolarHBondContact CB-O 3.14Å
590	M	96.5	Very high	90.8	Very high	18 Å²	18	61.8 Å²	61.8	9%	0.089	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151.8	176.8	-64.4	-172.1	-67.7	0	0	110.1	K546 C547 A548 V555 A557 L563 V587 L605 A606 V607	K546-M590 HydrophobicContact CB-CE 3.89Å; K546-M590 VanDerWaalsContact O-CE 3.26Å; K546-M590 WeakPolarHBondContact O-CE 3.3Å; C547-M590 VanDerWaalsContact CA-CE 3.5Å; A548-M590 HydrophobicContact CB-CB 3.79Å; V555-M590 HydrophobicContact CG1-CE 4.42Å; V555-M590 HydrophobicContact CG1-SD 4.01Å; A557-M590 HydrophobicContact CB-CE 3.71Å; A557-M590 HydrophobicContact CB-SD 4.09Å; L563-M590 HydrophobicContact CD2-SD 3.5Å; L563-M590 VanDerWaalsContact CD2-SD 3.5Å; V587-M590 HydrophobicContact CG1-CG 3.48Å; V587-M590 VanDerWaalsContact CG1-CG 3.48Å; V587-M590 HydrophobicContact CG1-SD 3.91Å; M590-L605 HydrophobicContact CB-CD1 4.45Å; M590-A606 CarbonylContact C-O 3.49Å; M590-A606 VanDerWaalsContact CA-O 3.26Å; M590-A606 WeakPolarHBondContact CA-O 3.19Å; M590-V607 HydrophobicContact CG-CG1 4.23Å; M590-V607 HydrophobicContact CG-CG2 4.41Å
591	A	95.5	Very high	90.7	Very high	8 Å²	8	59.3 Å²	59.3	7%	0.066	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	143.5	174.8	0	0	0	0	0	112.6	A606 L640	A591-A606 PolarHBondContact N-O 2.72Å; A591-A606 PolarHBondContact O-N 3.09Å; A591-L640 HydrophobicContact CB-CB 3.58Å; A591-L640 WeakPolarHBondContact CB-O 3.47Å
592	L	94.1	Very high	90.7	Very high	9 Å²	9	55.9 Å²	55.9	5%	0.047	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.7	170.4	-72.7	172	0	0	0	109.9	A548 N550 Q553 V555 L605 L619 R708	A548-L592 HydrophobicContact CB-CB 4.49Å; A548-L592 HydrophobicContact CB-CD1 4.1Å; A548-L592 HydrophobicContact CB-CG 3.87Å; N550-L592 HydrophobicContact CB-CB 4.4Å; Q553-L592 HydrophobicContact CB-CD1 4.17Å; V555-L592 HydrophobicContact CG2-CD1 4.17Å; L592-L605 HydrophobicContact CD2-CB 3.98Å; L592-L605 HydrophobicContact CD2-CD1 3.8Å; L592-L605 HydrophobicContact CD2-CG 4.48Å; L592-L605 HydrophobicContact CG-CD1 4.12Å; L592-L619 HydrophobicContact CD2-CD1 3.47Å; L592-L619 VanDerWaalsContact CD2-CD1 3.47Å; L592-R708 PolarHBondContact O-NH2 2.8Å
593	G	89.8	Confident	90.7	Very high	3 Å²	3	52.2 Å²	52.2	3%	0.031	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-65.9	163.9	168.9	0	0	0	0	0	111.8
594	R	87.9	Confident	90.7	Very high	109 Å²	109	52 Å²	52	41%	0.411	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-63.2	151.4	162.1	-168.2	168.4	179.3	172.6	-0.6	108.4	P596 E715	R594-P596 WeakPolarHBondContact O-CD 3.27Å; R594-E715 WeakPolarHBondContact CD-OE1 3.18Å; R594-E715 IonicContact NH1-OE1 2.78Å
595	I	89.6	Confident	90.9	Very high	21 Å²	21	47.7 Å²	47.7	11%	0.108	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-78.8	120.3	172.2	-57.5	178.1	0	0	0	107	R551 R552 E599	R551-I595 HydrophobicContact CB-CD1 4.17Å; R552-I595 HydrophobicContact CB-CD1 3.56Å; R552-I595 HydrophobicContact CG-CD1 3.7Å; I595-E599 HydrophobicContact CG2-CB 4.42Å; I595-E599 WeakPolarHBondContact CG2-O 3.48Å
596	P	85	Confident	91.1	Very high	49 Å²	49	46.6 Å²	46.6	32%	0.318	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-56.3	148	173.9	-24.9	34.9	0	0	0	111.2	R594 N598 E599	R594-P596 WeakPolarHBondContact O-CD 3.27Å; P596-N598 PolarHBondContact O-N 2.67Å; P596-N598 VanDerWaalsContact O-N 3.07Å; P596-E599 HydrophobicContact CB-CB 4.15Å; P596-E599 HydrophobicContact CB-CG 4.11Å; P596-E599 HydrophobicContact CG-CB 4.31Å; P596-E599 HydrophobicContact CG-CG 4.27Å; P596-E599 PolarHBondContact O-N 3.05Å
597	A	79.2	Confident	91.2	Very high	107 Å²	107	42.2 Å²	42.2	88%	0.884	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-28.9	-174.2	0	0	0	0	0	113.8
598	N	82.2	Confident	91.2	Very high	163 Å²	163	41.9 Å²	41.9	87%	0.872	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	1	-179.3	-63	-22.4	0	0	0	113.5	P596	P596-N598 PolarHBondContact O-N 2.67Å; P596-N598 VanDerWaalsContact O-N 3.07Å
599	E	85.5	Confident	91.2	Very high	106 Å²	106	39.7 Å²	39.7	50%	0.495	21%	0.209	S	C	.	.			trans	-116	156.3	-177.4	-67.1	-174.4	-174.7	0	0	111.3	I595 P596	I595-E599 HydrophobicContact CG2-CB 4.42Å; I595-E599 WeakPolarHBondContact CG2-O 3.48Å; P596-E599 HydrophobicContact CB-CB 4.15Å; P596-E599 HydrophobicContact CB-CG 4.11Å; P596-E599 HydrophobicContact CG-CB 4.31Å; P596-E599 HydrophobicContact CG-CG 4.27Å; P596-E599 PolarHBondContact O-N 3.05Å
600	Q	87.2	Confident	91.1	Very high	105 Å²	105	41.7 Å²	41.7	49%	0.491	23%	0.225	S	C	.	.	S	Bend	trans	-93.3	-14.5	178.1	-66	-171.7	-7.2	0	0	113.2	R552	R552-Q600 WeakPolarHBondContact CD-O 3.44Å
601	R	90.5	Very high	91	Very high	41 Å²	41	44 Å²	44	16%	0.155	24%	0.238	C	C	.	.	S	Bend	trans	-151.7	157.4	-170.7	68.7	-170.9	71.5	-128.2	-11.4	109.3	E567	E567-R601 IonicContact OE1-CZ 2.84Å; E567-R601 IonicContact OE1-NH1 3.78Å; E567-R601 PolarHBondContact OE1-NH1 3.4Å; E567-R601 IonicContact OE1-NH2 3.82Å; E567-R601 PolarHBondContact OE1-NH2 2.77Å; E567-R601 IonicContact OE2-CZ 2.93Å; E567-R601 IonicContact OE2-NH1 3.77Å; E567-R601 PolarHBondContact OE2-NH1 2.68Å; E567-R601 IonicContact OE2-NH2 3.11Å
602	S	92.1	Very high	90.9	Very high	11 Å²	11	46.2 Å²	46.2	8%	0.077	25%	0.249	C	C	.	.			trans	-87.6	131.4	164.1	-171.1	0	0	0	0	108.3	Q553	Q553-S602 PolarHBondContact NE2-O 3.38Å; Q553-S602 PolarHBondContact OE1-O 2.91Å
603	R	92	Very high	91	Very high	70 Å²	70	46.6 Å²	46.6	26%	0.264	25%	0.251	S	S	.	.	S	Bend	trans	-70.9	-33.2	-177.5	-175.9	170.2	-173.2	-163.9	-11.4	113.7	S618 L619 D620 V687	R603-S618 CarbonylContact O-C 3.35Å; R603-S618 WeakPolarHBondContact O-CA 3.46Å; R603-L619 PolarHBondContact O-N 3.48Å; R603-D620 WeakPolarHBondContact CD-OD2 3.33Å; R603-D620 WeakPolarHBondContact CG-OD2 3.44Å; R603-D620 IonicContact CZ-OD2 3.94Å; R603-D620 IonicContact NE-OD2 2.92Å; R603-D620 PolarHBondContact NE-OD2 2.84Å; R603-D620 IonicContact NH2-OD2 3.28Å; R603-V687 VanDerWaalsContact CZ-O 3.31Å; R603-V687 PolarHBondContact NH1-O 2.93Å
604	F	93.8	Very high	91.2	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.035	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.7	-169.1	-54.9	-60.5	0	0	0	112.7	I616 L628 L668 L684 D685 P686 G689	F604-I616 HydrophobicContact CB-CG2 3.97Å; F604-I616 HydrophobicContact CD1-CG2 3.77Å; F604-I616 HydrophobicContact CG-CG2 4.15Å; F604-L628 HydrophobicContact CD1-CD1 3.67Å; F604-L628 HydrophobicContact CE1-CD1 3.53Å; F604-L668 HydrophobicContact CD2-CD2 4.4Å; F604-L684 HydrophobicContact CB-CD2 4.38Å; F604-L684 HydrophobicContact CD2-CD2 4.06Å; F604-L684 HydrophobicContact CD2-CG 4.45Å; F604-L684 HydrophobicContact CG-CD2 4.41Å; F604-D685 WeakPolarHBondContact CE2-O 3.2Å; F604-P686 VanDerWaalsContact CE2-O 3.26Å; F604-P686 WeakPolarHBondContact CE2-O 3.18Å; F604-P686 WeakPolarHBondContact CZ-O 3.37Å; F604-G689 VanDerWaalsContact CE1-CA 3.48Å
605	L	95.7	Very high	91.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120	167.3	168.9	67.2	0	0	0	109.1	A548 V555 M590 L592 V607 I616 L617 L619	A548-L605 HydrophobicContact CB-CD1 4.34Å; V555-L605 HydrophobicContact CB-CD1 4.34Å; V555-L605 HydrophobicContact CB-CD2 4.43Å; V555-L605 HydrophobicContact CG1-CD1 4.3Å; V555-L605 HydrophobicContact CG1-CD2 3.78Å; V555-L605 HydrophobicContact CG2-CD1 4.24Å; V555-L605 HydrophobicContact CG2-CD2 4.09Å; M590-L605 HydrophobicContact CB-CD1 4.45Å; L592-L605 HydrophobicContact CD2-CB 3.98Å; L592-L605 HydrophobicContact CD2-CD1 3.8Å; L592-L605 HydrophobicContact CD2-CG 4.48Å; L592-L605 HydrophobicContact CG-CD1 4.12Å; L605-V607 HydrophobicContact CD1-CG2 4.38Å; L605-V607 HydrophobicContact CD2-CG2 3.95Å; L605-V607 HydrophobicContact CG-CG2 3.78Å; L605-I616 CarbonylContact O-C 3.55Å; L605-I616 WeakPolarHBondContact O-CA 3.45Å; L605-L617 HydrophobicContact CB-CB 4.35Å; L605-L617 HydrophobicContact CD2-CB 4.5Å; L605-L617 HydrophobicContact CD2-CD1 4.11Å; L605-L617 PolarHBondContact N-O 3.23Å; L605-L617 PolarHBondContact O-N 3.31Å; L605-L619 HydrophobicContact CB-CD1 3.94Å; L605-L619 HydrophobicContact CB-CD2 4.23Å; L605-L619 HydrophobicContact CB-CG 3.96Å; L605-L619 HydrophobicContact CD2-CD2 4.3Å
606	A	95.9	Very high	91.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.4	172.4	0	0	0	0	0	110.3	M590 A591 I616 L640 I642 M670	M590-A606 CarbonylContact C-O 3.49Å; M590-A606 VanDerWaalsContact CA-O 3.26Å; M590-A606 WeakPolarHBondContact CA-O 3.19Å; A591-A606 PolarHBondContact N-O 2.72Å; A591-A606 PolarHBondContact O-N 3.09Å; A606-I616 HydrophobicContact CB-CD1 3.73Å; A606-L640 HydrophobicContact CB-CD1 4.03Å; A606-I642 HydrophobicContact CB-CD1 4.07Å; A606-M670 HydrophobicContact CB-SD 3.94Å
607	V	96.6	Very high	92.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118	-178.6	-172.4	0	0	0	0	109.7	L563 M583 V587 M590 L605 L609 V614 R615 L617	L563-V607 HydrophobicContact CD1-CG2 4.22Å; M583-V607 HydrophobicContact CE-CB 4.39Å; M583-V607 HydrophobicContact CE-CG1 4.11Å; V587-V607 HydrophobicContact CB-CG1 4.4Å; V587-V607 HydrophobicContact CG1-CG1 3.74Å; V587-V607 HydrophobicContact CG2-CG1 3.86Å; M590-V607 HydrophobicContact CG-CG1 4.23Å; M590-V607 HydrophobicContact CG-CG2 4.41Å; L605-V607 HydrophobicContact CD1-CG2 4.38Å; L605-V607 HydrophobicContact CD2-CG2 3.95Å; L605-V607 HydrophobicContact CG-CG2 3.78Å; V607-L609 HydrophobicContact CG1-CD2 3.88Å; V607-V614 CarbonylContact O-C 3.59Å; V607-V614 WeakPolarHBondContact O-CA 3.23Å; V607-R615 PolarHBondContact N-O 2.94Å; V607-R615 PolarHBondContact O-N 3.21Å; V607-L617 HydrophobicContact CG2-CD1 3.96Å; V607-L617 HydrophobicContact CG2-CG 4.29Å
608	G	95.9	Very high	93.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.9	174.7	0	0	0	0	0	110.9	I588 C589	I588-G608 PolarHBondContact N-O 2.97Å; C589-G608 PolarHBondContact N-O 3.35Å; C589-G608 PolarHBondContact O-N 3.36Å
609	L	95.4	Very high	93.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	159.8	-173.6	-61.6	-177.1	0	0	0	112.1	M583 P584 A585 D586 V587 V607 D611 N612 T613 R615 P637	M583-L609 HydrophobicContact CB-CD2 3.99Å; M583-L609 HydrophobicContact CE-CD1 3.99Å; M583-L609 HydrophobicContact CE-CD2 3.99Å; M583-L609 HydrophobicContact CE-CG 4.37Å; M583-L609 HydrophobicContact CG-CD2 4.33Å; P584-L609 HydrophobicContact CG-CD1 4.12Å; A585-L609 HydrophobicContact CB-CB 4.3Å; D586-L609 WeakPolarHBondContact O-CA 3.36Å; V587-L609 HydrophobicContact CG2-CD2 3.85Å; V607-L609 HydrophobicContact CG1-CD2 3.88Å; L609-D611 WeakPolarHBondContact CB-OD1 3.46Å; L609-D611 PolarHBondContact O-N 3.49Å; L609-N612 PolarHBondContact O-N 2.94Å; L609-T613 PolarHBondContact N-O 3.3Å; L609-R615 HydrophobicContact CD1-CG 4.44Å; L609-R615 VanDerWaalsContact CD1-NE 3.33Å; L609-P637 WeakPolarHBondContact O-CD 3.48Å
610	A	93.6	Very high	93.9	Very high	47 Å²	47	24.7 Å²	24.7	39%	0.388	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.9	175.6	0	0	0	0	0	114.2	D586 I588 N612	D586-A610 PolarHBondContact O-N 2.79Å; I588-A610 HydrophobicContact CD1-CB 4.1Å; I588-A610 HydrophobicContact CG1-CB 4.09Å; A610-N612 PolarHBondContact O-N 2.84Å
611	D	93.1	Very high	94	Very high	66 Å²	66	23.8 Å²	23.8	35%	0.353	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	12.1	177.8	69.6	-2.7	0	0	0	113.7	A585 L609 T613 R615	A585-D611 HydrophobicContact CB-CB 4.14Å; L609-D611 WeakPolarHBondContact CB-OD1 3.46Å; L609-D611 PolarHBondContact O-N 3.49Å; D611-T613 VanDerWaalsContact C-N 3.32Å; D611-T613 VanDerWaalsContact CG-OG1 3.3Å; D611-T613 PolarHBondContact O-N 3.47Å; D611-T613 WeakPolarHBondContact OD1-CB 3.25Å; D611-T613 WeakPolarHBondContact OD1-CG2 3.13Å; D611-T613 PolarHBondContact OD1-N 2.98Å; D611-T613 PolarHBondContact OD1-OG1 3.29Å; D611-T613 PolarHBondContact OD2-OG1 2.94Å; D611-R615 IonicContact OD2-NH2 2.9Å; D611-R615 PolarHBondContact OD2-NH2 3.22Å
612	N	94.4	Very high	94	Very high	55 Å²	55	27 Å²	27	29%	0.294	16%	0.155	S	C	.	.	S	Bend	trans	59.7	38.7	-174.3	-54.1	-23.6	0	0	0	112.9	L609 A610 I633 T636	L609-N612 PolarHBondContact O-N 2.94Å; A610-N612 PolarHBondContact O-N 2.84Å; N612-I633 VanDerWaalsContact C-CG1 3.43Å; N612-I633 HydrophobicContact CB-CG1 4.32Å; N612-I633 WeakPolarHBondContact O-CG1 3.31Å; N612-I633 PolarHBondContact O-N 2.86Å; N612-T636 WeakPolarHBondContact OD1-CA 3.35Å; N612-T636 WeakPolarHBondContact OD1-CB 3.06Å; N612-T636 PolarHBondContact OD1-N 2.77Å; N612-T636 VanDerWaalsContact OD1-N 3.09Å; N612-T636 PolarHBondContact OD1-OG1 2.82Å
613	T	95.3	Very high	94	Very high	17 Å²	17	28.6 Å²	28.6	10%	0.104	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	147.8	169.9	71.4	0	0	0	0	112.1	L609 D611 R615 M630 Q631	L609-T613 PolarHBondContact N-O 3.3Å; D611-T613 VanDerWaalsContact C-N 3.32Å; D611-T613 VanDerWaalsContact CG-OG1 3.3Å; D611-T613 PolarHBondContact O-N 3.47Å; D611-T613 WeakPolarHBondContact OD1-CB 3.25Å; D611-T613 WeakPolarHBondContact OD1-CG2 3.13Å; D611-T613 PolarHBondContact OD1-N 2.98Å; D611-T613 PolarHBondContact OD1-OG1 3.29Å; D611-T613 PolarHBondContact OD2-OG1 2.94Å; T613-R615 PolarHBondContact OG1-NE 3.28Å; T613-M630 HydrophobicContact CG2-CG 4.45Å; T613-M630 HydrophobicContact CG2-SD 3.97Å; T613-Q631 WeakPolarHBondContact CA-O 3.26Å
614	V	94.9	Very high	93.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.8	165.8	179.8	0	0	0	0	108.1	V607 M630 Q631 I633 P637 L640 M670 I672	V607-V614 CarbonylContact O-C 3.59Å; V607-V614 WeakPolarHBondContact O-CA 3.23Å; V614-M630 WeakPolarHBondContact O-CA 3.24Å; V614-Q631 PolarHBondContact N-O 3Å; V614-Q631 PolarHBondContact O-N 3.26Å; V614-I633 HydrophobicContact CG2-CD1 3.78Å; V614-I633 HydrophobicContact CG2-CG2 4.5Å; V614-P637 HydrophobicContact CG2-CB 4.43Å; V614-L640 HydrophobicContact CG1-CD1 4.16Å; V614-L640 HydrophobicContact CG1-CD2 4.1Å; V614-L640 HydrophobicContact CG2-CD2 4.12Å; V614-M670 HydrophobicContact CG1-CE 4.29Å; V614-M670 HydrophobicContact CG1-SD 4.03Å; V614-I672 HydrophobicContact CG2-CD1 4.11Å; V614-I672 HydrophobicContact CG2-CG2 4.24Å
615	R	95	Very high	93.8	Very high	58 Å²	58	25.6 Å²	25.6	22%	0.219	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.7	-178.6	-56.3	-172.1	-171.3	-162.9	2.9	110.2	P584 V607 L609 D611 T613 T629 M630	P584-R615 VanDerWaalsContact CG-CZ 3.43Å; P584-R615 VanDerWaalsContact CG-NH1 3.33Å; V607-R615 PolarHBondContact N-O 2.94Å; V607-R615 PolarHBondContact O-N 3.21Å; L609-R615 HydrophobicContact CD1-CG 4.44Å; L609-R615 VanDerWaalsContact CD1-NE 3.33Å; D611-R615 IonicContact OD2-NH2 2.9Å; D611-R615 PolarHBondContact OD2-NH2 3.22Å; T613-R615 PolarHBondContact OG1-NE 3.28Å; R615-T629 CarbonylContact C-O 3.59Å; R615-T629 WeakPolarHBondContact CA-O 3.47Å; R615-M630 HydrophobicContact CG-CB 4.33Å; R615-M630 HydrophobicContact CG-CG 4.03Å
616	I	95.4	Very high	93.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.5	171.3	-53.7	-54.6	0	0	0	107.9	F604 L605 A606 L628 T629 M670 L684 L691	F604-I616 HydrophobicContact CB-CG2 3.97Å; F604-I616 HydrophobicContact CD1-CG2 3.77Å; F604-I616 HydrophobicContact CG-CG2 4.15Å; L605-I616 CarbonylContact O-C 3.55Å; L605-I616 WeakPolarHBondContact O-CA 3.45Å; A606-I616 HydrophobicContact CB-CD1 3.73Å; I616-L628 HydrophobicContact CG2-CD1 4.32Å; I616-L628 PolarHBondContact O-N 3.19Å; I616-T629 PolarHBondContact N-O 2.93Å; I616-M670 HydrophobicContact CD1-SD 3.75Å; I616-L684 HydrophobicContact CG1-CD1 4.4Å; I616-L691 HydrophobicContact CD1-CD1 4.43Å; I616-L691 HydrophobicContact CD1-CD2 4.45Å; I616-L691 HydrophobicContact CG1-CD1 4.05Å; I616-L691 HydrophobicContact CG1-CD2 4.31Å; I616-L691 HydrophobicContact CG1-CG 4.24Å
617	L	95	Very high	93.5	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	143.2	174.4	-52.7	-177.3	0	0	0	109.8	L563 M583 L605 V607 T626 P627	L563-L617 HydrophobicContact CD1-CD1 3.54Å; M583-L617 HydrophobicContact SD-CD1 4.38Å; L605-L617 HydrophobicContact CB-CB 4.35Å; L605-L617 HydrophobicContact CD2-CB 4.5Å; L605-L617 HydrophobicContact CD2-CD1 4.11Å; L605-L617 PolarHBondContact N-O 3.23Å; L605-L617 PolarHBondContact O-N 3.31Å; V607-L617 HydrophobicContact CG2-CD1 3.96Å; V607-L617 HydrophobicContact CG2-CG 4.29Å; L617-T626 CarbonylContact C-O 3.52Å; L617-T626 VanDerWaalsContact CA-O 3.27Å; L617-T626 WeakPolarHBondContact CA-O 3.24Å; L617-P627 VanDerWaalsContact CD2-CA 3.47Å; L617-P627 HydrophobicContact CD2-CB 3.7Å
618	S	94.7	Very high	93.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	140.4	169.3	-175.2	0	0	0	0	110.5	R603 D620 D623 C624 L625 T626	R603-S618 CarbonylContact O-C 3.35Å; R603-S618 WeakPolarHBondContact O-CA 3.46Å; S618-D620 PolarHBondContact OG-N 2.68Å; S618-D623 WeakPolarHBondContact CB-OD1 3.33Å; S618-D623 PolarHBondContact OG-OD1 2.83Å; S618-C624 CarbonylContact O-C 3.6Å; S618-L625 PolarHBondContact O-N 2.9Å; S618-T626 PolarHBondContact N-O 3.1Å
619	L	93.8	Very high	93.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.217	C	C	.	.			trans	-113.7	10	169.6	-64.7	-175.1	0	0	0	112.2	V555 Y565 L592 R603 L605 L625	V555-L619 HydrophobicContact CG2-CD1 4.41Å; Y565-L619 HydrophobicContact CD2-CD2 4.26Å; Y565-L619 HydrophobicContact CE2-CD1 4.17Å; Y565-L619 HydrophobicContact CE2-CD2 4.37Å; Y565-L619 HydrophobicContact CG-CD2 4.39Å; L592-L619 HydrophobicContact CD2-CD1 3.47Å; L592-L619 VanDerWaalsContact CD2-CD1 3.47Å; R603-L619 PolarHBondContact O-N 3.48Å; L605-L619 HydrophobicContact CB-CD1 3.94Å; L605-L619 HydrophobicContact CB-CD2 4.23Å; L605-L619 HydrophobicContact CB-CG 3.96Å; L605-L619 HydrophobicContact CD2-CD2 4.3Å; L619-L625 HydrophobicContact CD2-CD2 4.1Å
620	D	91.6	Very high	93	Very high	38 Å²	38	41.8 Å²	41.8	20%	0.203	25%	0.245	C	C	.	.	S	Bend	trans	-66.6	144.2	171	-77.5	-25.8	0	0	0	110.4	R603 S618 S622 D623 C624	R603-D620 WeakPolarHBondContact CD-OD2 3.33Å; R603-D620 WeakPolarHBondContact CG-OD2 3.44Å; R603-D620 IonicContact CZ-OD2 3.94Å; R603-D620 IonicContact NE-OD2 2.92Å; R603-D620 PolarHBondContact NE-OD2 2.84Å; R603-D620 IonicContact NH2-OD2 3.28Å; S618-D620 PolarHBondContact OG-N 2.68Å; D620-S622 PolarHBondContact O-N 3.11Å; D620-S622 VanDerWaalsContact O-N 3.08Å; D620-D623 WeakPolarHBondContact CB-OD1 3.23Å; D620-D623 CarbonylContact O-C 3.6Å; D620-D623 PolarHBondContact O-N 3.39Å; D620-C624 VanDerWaalsContact O-CA 3.23Å; D620-C624 WeakPolarHBondContact O-CA 3.31Å; D620-C624 VanDerWaalsContact O-CB 3.32Å; D620-C624 WeakPolarHBondContact O-CB 3.39Å; D620-C624 PolarHBondContact O-N 2.9Å
621	P	89.4	Confident	92.9	Very high	86 Å²	86	41.2 Å²	41.2	56%	0.558	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.4	179.9	-27	35.1	0	0	0	114.7
622	S	90.2	Very high	92.9	Very high	108 Å²	108	40.7 Å²	40.7	76%	0.755	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-33.7	-179	43.4	0	0	0	0	113.9	D620	D620-S622 PolarHBondContact O-N 3.11Å; D620-S622 VanDerWaalsContact O-N 3.08Å
623	D	91.4	Very high	92.8	Very high	46 Å²	46	38.7 Å²	38.7	25%	0.246	23%	0.234	C	C	.	.	S	Bend	trans	-145.1	35.5	-169.9	65.2	-14.6	0	0	0	111	S618 D620 L625 T626	S618-D623 WeakPolarHBondContact CB-OD1 3.33Å; S618-D623 PolarHBondContact OG-OD1 2.83Å; D620-D623 WeakPolarHBondContact CB-OD1 3.23Å; D620-D623 CarbonylContact O-C 3.6Å; D620-D623 PolarHBondContact O-N 3.39Å; D623-L625 PolarHBondContact O-N 3.41Å; D623-T626 HydrophobicContact CB-CG2 4.09Å; D623-T626 WeakPolarHBondContact CB-OG1 3.3Å; D623-T626 VanDerWaalsContact O-CB 3.26Å; D623-T626 WeakPolarHBondContact O-CB 3.25Å; D623-T626 VanDerWaalsContact O-CG2 3.23Å; D623-T626 WeakPolarHBondContact O-CG2 3.43Å; D623-T626 PolarHBondContact O-N 3.48Å; D623-T626 PolarHBondContact O-OG1 2.85Å
624	C	91.9	Very high	92.7	Very high	8 Å²	8	42.9 Å²	42.9	5%	0.054	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	133.8	-176	-163.4	0	0	0	0	111.3	Y577 S618 D620 T626	Y577-C624 HydrophobicContact CE1-CB 3.96Å; Y577-C624 HydrophobicContact CE2-CB 4.24Å; S618-C624 CarbonylContact O-C 3.6Å; D620-C624 VanDerWaalsContact O-CA 3.23Å; D620-C624 WeakPolarHBondContact O-CA 3.31Å; D620-C624 VanDerWaalsContact O-CB 3.32Å; D620-C624 WeakPolarHBondContact O-CB 3.39Å; D620-C624 PolarHBondContact O-N 2.9Å; C624-T626 PolarHBondContact O-N 3.26Å
625	L	91.4	Very high	92.6	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	17.9	-177	-56.5	173.2	0	0	0	114.9	Y577 K581 S618 L619 D623	Y577-L625 HydrophobicContact CD1-CD1 4.13Å; Y577-L625 HydrophobicContact CE1-CD1 4.47Å; K581-L625 HydrophobicContact CB-CB 4.07Å; K581-L625 HydrophobicContact CB-CD1 4.04Å; K581-L625 HydrophobicContact CG-CB 4.45Å; S618-L625 PolarHBondContact O-N 2.9Å; L619-L625 HydrophobicContact CD2-CD2 4.1Å; D623-L625 PolarHBondContact O-N 3.41Å
626	T	92.7	Very high	92.6	Very high	53 Å²	53	43.1 Å²	43.1	33%	0.325	27%	0.27	S	S	.	.			trans	-84.7	136.6	169.9	66.1	0	0	0	0	111	L617 S618 D623 C624	L617-T626 CarbonylContact C-O 3.52Å; L617-T626 VanDerWaalsContact CA-O 3.27Å; L617-T626 WeakPolarHBondContact CA-O 3.24Å; S618-T626 PolarHBondContact N-O 3.1Å; D623-T626 HydrophobicContact CB-CG2 4.09Å; D623-T626 WeakPolarHBondContact CB-OG1 3.3Å; D623-T626 VanDerWaalsContact O-CB 3.26Å; D623-T626 WeakPolarHBondContact O-CB 3.25Å; D623-T626 VanDerWaalsContact O-CG2 3.23Å; D623-T626 WeakPolarHBondContact O-CG2 3.43Å; D623-T626 PolarHBondContact O-N 3.48Å; D623-T626 PolarHBondContact O-OG1 2.85Å; C624-T626 PolarHBondContact O-N 3.26Å
627	P	91.9	Very high	92.7	Very high	78 Å²	78	43.1 Å²	43.1	51%	0.506	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	127.7	176.9	29.6	-33	0	0	0	111.6	L617	L617-P627 VanDerWaalsContact CD2-CA 3.47Å; L617-P627 HydrophobicContact CD2-CB 3.7Å
628	L	92.8	Very high	92.7	Very high	58 Å²	58	45.6 Å²	45.6	30%	0.304	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-58.3	177.3	-62.2	176.5	0	0	0	111	F604 I616	F604-L628 HydrophobicContact CD1-CD1 3.67Å; F604-L628 HydrophobicContact CE1-CD1 3.53Å; I616-L628 HydrophobicContact CG2-CD1 4.32Å; I616-L628 PolarHBondContact O-N 3.19Å
629	T	92.5	Very high	92.8	Very high	32 Å²	32	46.3 Å²	46.3	20%	0.196	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.2	-174	-66.4	0	0	0	0	111	R615 I616 G689 L691	R615-T629 CarbonylContact C-O 3.59Å; R615-T629 WeakPolarHBondContact CA-O 3.47Å; I616-T629 PolarHBondContact N-O 2.93Å; T629-G689 WeakPolarHBondContact CB-O 3.42Å; T629-G689 PolarHBondContact OG1-O 3.19Å; T629-L691 HydrophobicContact CG2-CB 4.15Å; T629-L691 HydrophobicContact CG2-CD1 4Å; T629-L691 HydrophobicContact CG2-CG 3.9Å
630	M	92.1	Very high	92.9	Very high	118 Å²	118	47 Å²	47	58%	0.581	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.8	133	173.6	179.9	-85.9	-70.8	0	0	110	T613 V614 R615	T613-M630 HydrophobicContact CG2-CG 4.45Å; T613-M630 HydrophobicContact CG2-SD 3.97Å; V614-M630 WeakPolarHBondContact O-CA 3.24Å; R615-M630 HydrophobicContact CG-CB 4.33Å; R615-M630 HydrophobicContact CG-CG 4.03Å
631	Q	91.4	Very high	93.1	Very high	35 Å²	35	45.5 Å²	45.5	16%	0.164	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	125	176.2	-176.9	174.2	11.2	0	0	110.1	T613 V614 L691 T694	T613-Q631 WeakPolarHBondContact CA-O 3.26Å; V614-Q631 PolarHBondContact N-O 3Å; V614-Q631 PolarHBondContact O-N 3.26Å; Q631-L691 HydrophobicContact CB-CD1 3.88Å; Q631-T694 PolarHBondContact NE2-OG1 2.88Å
632	G	93.1	Very high	93.4	Very high	56 Å²	56	41.6 Å²	41.6	58%	0.577	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	136.3	168	0	0	0	0	0	110.9
633	I	93	Very high	93.5	Very high	13 Å²	13	36.5 Å²	36.5	7%	0.067	22%	0.221	C	C	.	.			trans	-121.6	151.3	-179.8	47.5	172.5	0	0	0	110.9	N612 V614 S635 P637 I672 L674 L680	N612-I633 VanDerWaalsContact C-CG1 3.43Å; N612-I633 HydrophobicContact CB-CG1 4.32Å; N612-I633 WeakPolarHBondContact O-CG1 3.31Å; N612-I633 PolarHBondContact O-N 2.86Å; V614-I633 HydrophobicContact CG2-CD1 3.78Å; V614-I633 HydrophobicContact CG2-CG2 4.5Å; I633-S635 WeakPolarHBondContact CD1-O 3.44Å; I633-S635 WeakPolarHBondContact CG1-O 3.22Å; I633-S635 PolarHBondContact O-N 3.06Å; I633-P637 HydrophobicContact CD1-CB 3.56Å; I633-P637 VanDerWaalsContact CD1-CD 3.48Å; I633-P637 HydrophobicContact CD1-CG 3.61Å; I633-I672 HydrophobicContact CD1-CG2 4.49Å; I633-I672 HydrophobicContact CG2-CD1 4.2Å; I633-L674 HydrophobicContact CB-CD2 4.42Å; I633-L674 HydrophobicContact CD1-CD2 3.83Å; I633-L680 HydrophobicContact CB-CD1 4.33Å; I633-L680 HydrophobicContact CG2-CD1 3.65Å
634	P	91.8	Very high	93.3	Very high	104 Å²	104	37.5 Å²	37.5	68%	0.675	23%	0.225	S	C	*	.	S	Bend	trans	-71.2	-16.7	-171.1	27.1	-35.2	0	0	0	114.1	L674	P634-L674 HydrophobicContact CG-CD1 3.75Å
635	S	93.8	Very high	92.8	Very high	22 Å²	22	37.5 Å²	37.5	15%	0.154	22%	0.224	C	C	.	.	S	Bend	trans	-150.3	165.3	-177.9	-169.8	0	0	0	0	109.2	I633 I675	I633-S635 WeakPolarHBondContact CD1-O 3.44Å; I633-S635 WeakPolarHBondContact CG1-O 3.22Å; I633-S635 PolarHBondContact O-N 3.06Å; S635-I675 VanDerWaalsContact OG-CG2 3.28Å; S635-I675 WeakPolarHBondContact OG-CG2 3.14Å
636	T	95.7	Very high	91.7	Very high	42 Å²	42	39.1 Å²	39.1	26%	0.258	24%	0.243	S	C	.	.			trans	-60.6	133.5	179.3	-47.6	0	0	0	0	111.1	I588 N612 I675	I588-T636 HydrophobicContact CG1-CG2 4.24Å; N612-T636 WeakPolarHBondContact OD1-CA 3.35Å; N612-T636 WeakPolarHBondContact OD1-CB 3.06Å; N612-T636 PolarHBondContact OD1-N 2.77Å; N612-T636 VanDerWaalsContact OD1-N 3.09Å; N612-T636 PolarHBondContact OD1-OG1 2.82Å; T636-I675 PolarHBondContact O-N 3.13Å; T636-I675 VanDerWaalsContact O-N 3.09Å
637	P	96.3	Very high	89.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.8	178.4	31.3	-30.5	0	0	0	109.9	I588 L609 V614 I633 I672 L674	I588-P637 WeakPolarHBondContact CG2-O 3.45Å; L609-P637 WeakPolarHBondContact O-CD 3.48Å; V614-P637 HydrophobicContact CG2-CB 4.43Å; I633-P637 HydrophobicContact CD1-CB 3.56Å; I633-P637 VanDerWaalsContact CD1-CD 3.48Å; I633-P637 HydrophobicContact CD1-CG 3.61Å; P637-I672 HydrophobicContact CB-CG2 4.18Å; P637-L674 HydrophobicContact CB-CD2 4.4Å
638	E	95.9	Very high	87.6	Confident	54 Å²	54	39.5 Å²	39.5	25%	0.252	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-42	176.1	178	61.6	-160.1	0	0	111.2	C589 G673 P703 K705	C589-E638 WeakPolarHBondContact CB-O 3.14Å; E638-G673 PolarHBondContact N-O 3.33Å; E638-P703 HydrophobicContact CB-CB 4.35Å; E638-P703 HydrophobicContact CG-CB 3.84Å; E638-K705 HydrophobicContact CG-CG 4.45Å
639	S	96.1	Very high	84.9	Confident	15 Å²	15	43.7 Å²	43.7	11%	0.105	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	156.6	-177.8	65.4	0	0	0	0	112.3	G673 V704 K705 L706	S639-G673 PolarHBondContact N-O 2.86Å; S639-G673 PolarHBondContact O-N 3.3Å; S639-V704 PolarHBondContact OG-O 3.14Å; S639-K705 VanDerWaalsContact OG-CA 3.31Å; S639-K705 WeakPolarHBondContact OG-CA 3.44Å; S639-L706 WeakPolarHBondContact OG-CG 3.19Å; S639-L706 PolarHBondContact OG-N 2.82Å
640	L	96.8	Very high	81.9	Confident	13 Å²	13	48 Å²	48	7%	0.068	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145	178.9	-67.3	170.2	0	0	0	108.8	A591 A606 V614 N671 I672	A591-L640 HydrophobicContact CB-CB 3.58Å; A591-L640 WeakPolarHBondContact CB-O 3.47Å; A606-L640 HydrophobicContact CB-CD1 4.03Å; V614-L640 HydrophobicContact CG1-CD1 4.16Å; V614-L640 HydrophobicContact CG1-CD2 4.1Å; V614-L640 HydrophobicContact CG2-CD2 4.12Å; L640-N671 CarbonylContact C-O 3.59Å; L640-N671 WeakPolarHBondContact CA-O 3.43Å; L640-I672 HydrophobicContact CD2-CB 3.95Å; L640-I672 HydrophobicContact CD2-CG1 3.7Å; L640-I672 HydrophobicContact CD2-CG2 3.73Å
641	C	95.6	Very high	78.8	Confident	8 Å²	8	47 Å²	47	5%	0.054	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	120.6	172.8	-172.4	0	0	0	0	110.8	N671 L706 V717	C641-N671 PolarHBondContact N-O 3.17Å; C641-N671 PolarHBondContact O-N 3.4Å; C641-L706 HydrophobicContact CB-CB 3.8Å; C641-L706 HydrophobicContact CB-CD1 4.19Å; C641-V717 HydrophobicContact CB-CG1 4.48Å
642	I	95	Very high	75.8	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.015	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	130	173.8	-58.8	173.3	0	0	0	107.8	A606 L668 Y669 M670 L684 R708	A606-I642 HydrophobicContact CB-CD1 4.07Å; I642-L668 HydrophobicContact CG2-CD1 3.59Å; I642-L668 HydrophobicContact CG2-CD2 4.33Å; I642-L668 HydrophobicContact CG2-CG 3.95Å; I642-Y669 CarbonylContact C-O 3.57Å; I642-Y669 WeakPolarHBondContact CA-O 3.29Å; I642-M670 HydrophobicContact CG1-CG 4.37Å; I642-L684 HydrophobicContact CD1-CD2 4.28Å; I642-L684 HydrophobicContact CG2-CD2 4.23Å; I642-R708 PolarHBondContact O-NE 3.39Å; I642-R708 PolarHBondContact O-NH2 2.72Å
643	V	91.8	Very high	72.6	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	147.9	-179.9	-71.7	0	0	0	0	111	M645 Y669 N671 R708 E715 V717	V643-M645 HydrophobicContact CB-CE 4.39Å; V643-M645 HydrophobicContact CG2-CE 3.63Å; V643-M645 HydrophobicContact CG2-CG 4.16Å; V643-M645 HydrophobicContact CG2-SD 4.23Å; V643-Y669 PolarHBondContact N-O 2.96Å; V643-Y669 PolarHBondContact O-N 3.03Å; V643-N671 WeakPolarHBondContact CG2-ND2 3.2Å; V643-R708 HydrophobicContact CG1-CG 4.1Å; V643-E715 WeakPolarHBondContact CA-OE2 3.4Å; V643-E715 HydrophobicContact CB-CB 4.44Å; V643-V717 HydrophobicContact CB-CG2 4.11Å; V643-V717 HydrophobicContact CG1-CG2 3.43Å; V643-V717 VanDerWaalsContact CG1-CG2 3.43Å; V643-V717 HydrophobicContact CG2-CG2 3.59Å
644	E	88.4	Confident	69.7	Low	68 Å²	68	58.7 Å²	58.7	32%	0.318	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.7	171.8	-171.3	-179.7	168	0	0	108.9	G666 L668 E715	E644-G666 WeakPolarHBondContact OE1-CA 3.07Å; E644-G666 PolarHBondContact OE1-N 3.44Å; E644-L668 HydrophobicContact CB-CD1 4.32Å; E644-E715 PolarHBondContact N-OE2 3.14Å
645	M	81.8	Confident	66.8	Low	7 Å²	7	61 Å²	61	3%	0.034	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.1	-179	-66.6	178.7	173.4	0	0	110.7	V643 I667 Y669 V717 S727 A729 F734	V643-M645 HydrophobicContact CB-CE 4.39Å; V643-M645 HydrophobicContact CG2-CE 3.63Å; V643-M645 HydrophobicContact CG2-CG 4.16Å; V643-M645 HydrophobicContact CG2-SD 4.23Å; M645-I667 PolarHBondContact N-O 2.67Å; M645-I667 PolarHBondContact O-N 2.95Å; M645-Y669 HydrophobicContact CB-CD2 3.99Å; M645-Y669 HydrophobicContact CB-CE2 4.01Å; M645-Y669 HydrophobicContact CG-CD2 4.38Å; M645-Y669 HydrophobicContact SD-CD2 4.4Å; M645-V717 HydrophobicContact CE-CB 4.37Å; M645-V717 HydrophobicContact CE-CG2 3.85Å; M645-S727 WeakPolarHBondContact CE-O 3.43Å; M645-S727 WeakPolarHBondContact CE-OG 3.37Å; M645-A729 HydrophobicContact CB-CB 4.5Å; M645-F734 HydrophobicContact SD-CD2 4.01Å; M645-F734 HydrophobicContact SD-CE2 3.83Å
646	G	67.6	Low	63.9	Low	42 Å²	42	67.7 Å²	67.7	43%	0.433	40%	0.403	S	S	.	.	S	Bend	trans	108.7	8.8	175.3	0	0	0	0	0	115.6
647	T	53	Low	60.7	Low	61 Å²	61	69 Å²	69	37%	0.374	43%	0.425	S	S	.	.			trans	-108.3	91	176	35.8	0	0	0	0	110.9	S664 G666	T647-S664 WeakPolarHBondContact CG2-O 3.47Å; T647-G666 VanDerWaalsContact CG2-CA 3.49Å
648	N	45.6	Very low	57.4	Low	77 Å²	77	78.4 Å²	78.4	41%	0.412	47%	0.468	S	S	.	.			trans	-124.2	84.3	171.5	-75	8.4	0	0	0	110.3
649	E	36	Very low	54.1	Low	146 Å²	146	81.1 Å²	81.1	68%	0.682	49%	0.494	S	S	*	.			trans	-157.7	122.7	133.8	-80.3	-147.8	159.6	0	0	108.3	S651	E649-S651 PolarHBondContact O-N 3.22Å
650	P	28.6	Very low	50.7	Low	124 Å²	124	90.2 Å²	90.2	81%	0.805	53%	0.534	S	S	*	.			trans	-72	103.3	147.4	28.2	-20.4	0	0	0	105.4	P652	P650-P652 WeakPolarHBondContact O-CD 3.36Å
651	S	27	Very low	47.4	Very low	96 Å²	96	93.9 Å²	93.9	67%	0.671	57%	0.567	S	S	*	*			trans	-55.2	126.5	171	45.7	0	0	0	0	108.3	E649 S653	E649-S651 PolarHBondContact O-N 3.22Å; S651-S653 PolarHBondContact O-N 2.86Å
652	P	28.3	Very low	44.1	Very low	104 Å²	104	99.9 Å²	99.9	68%	0.675	60%	0.603	S	S	*	*			trans	-62.7	124.3	168.1	25.5	-29.1	0	0	0	106.4	P650 T654	P650-P652 WeakPolarHBondContact O-CD 3.36Å; P652-T654 VanDerWaalsContact C-N 3.34Å; P652-T654 PolarHBondContact O-N 3.16Å
653	S	26.7	Very low	41	Very low	118 Å²	118	105 Å²	105	83%	0.825	64%	0.639	S	S	*	*			trans	-57.7	94.6	176.5	53.8	0	0	0	0	109.9	S651	S651-S653 PolarHBondContact O-N 2.86Å
654	T	32.1	Very low	38.7	Very low	127 Å²	127	110 Å²	110	78%	0.779	67%	0.674	S	S	*	*			trans	-83.6	104.9	155.9	44.1	0	0	0	0	106.7	P652 D656	P652-T654 VanDerWaalsContact C-N 3.34Å; P652-T654 PolarHBondContact O-N 3.16Å; T654-D656 PolarHBondContact O-N 3.47Å
655	D	30.9	Very low	37.1	Very low	154 Å²	154	109.4 Å²	109.4	82%	0.824	69%	0.686	S	S	*	*			trans	-49.5	103	156.4	-88	-28.9	0	0	0	107.5
656	D	32.8	Very low	36.4	Very low	161 Å²	161	109.9 Å²	109.9	86%	0.861	69%	0.693	S	S	*	*			trans	178.4	108.2	151.4	-86.8	-26.8	0	0	0	110.7	T654	T654-D656 PolarHBondContact O-N 3.47Å
657	G	27.6	Very low	37.2	Very low	70 Å²	70	111.9 Å²	111.9	72%	0.722	69%	0.693	S	S	*	*			trans	62.6	105.3	141.3	0	0	0	0	0	120.8
658	E	27.1	Very low	38.9	Very low	197 Å²	197	110.5 Å²	110.5	92%	0.921	68%	0.683	S	S	*	*			trans	40.8	83	141	-61.7	-177.1	174.1	0	0	117.5
659	S	28	Very low	41.1	Very low	112 Å²	112	108.4 Å²	108.4	78%	0.783	67%	0.67	S	S	*	*			trans	-148.7	114.8	153.9	-72.9	0	0	0	0	109.3	A661	S659-A661 PolarHBondContact O-N 2.94Å
660	E	24.8	Very low	43.9	Very low	205 Å²	205	101.5 Å²	101.5	96%	0.958	64%	0.637	S	S	*	*			trans	-61.7	82.4	171.5	-69.3	-178.5	157.5	0	0	109.9	T662	E660-T662 PolarHBondContact O-N 2.98Å
661	A	25.9	Very low	47.1	Very low	90 Å²	90	95.6 Å²	95.6	74%	0.744	60%	0.599	S	S	*	*			trans	-77.4	106.1	168.3	0	0	0	0	0	107.6	S659 S663	S659-A661 PolarHBondContact O-N 2.94Å; A661-S663 PolarHBondContact O-N 3.17Å
662	T	26.8	Very low	50.4	Low	135 Å²	135	91 Å²	91	83%	0.828	57%	0.567	S	S	*	*			trans	-50.2	106.3	165.2	37.6	0	0	0	0	108.2	E660 S664	E660-T662 PolarHBondContact O-N 2.98Å; T662-S664 PolarHBondContact O-N 3.12Å
663	S	30.8	Very low	53.6	Low	109 Å²	109	86 Å²	86	76%	0.762	54%	0.535	S	S	*	.			trans	-51.5	106.8	173.7	52.5	0	0	0	0	107.7	A661 G665	A661-S663 PolarHBondContact O-N 3.17Å; S663-G665 PolarHBondContact O-N 3.25Å
664	S	43.2	Very low	57	Low	106 Å²	106	80.4 Å²	80.4	74%	0.741	50%	0.496	S	S	*	.			trans	-68.2	84.8	174.8	56.6	0	0	0	0	107.4	T647 T662	T647-S664 WeakPolarHBondContact CG2-O 3.47Å; T662-S664 PolarHBondContact O-N 3.12Å
665	G	53.7	Low	60	Low	56 Å²	56	78.2 Å²	78.2	58%	0.577	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-57.4	141.8	176.9	0	0	0	0	0	109.9	S663	S663-G665 PolarHBondContact O-N 3.25Å
666	G	68.4	Low	62.9	Low	17 Å²	17	74.1 Å²	74.1	18%	0.175	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-66.8	167.5	178.4	0	0	0	0	0	110.7	E644 T647	E644-G666 WeakPolarHBondContact OE1-CA 3.07Å; E644-G666 PolarHBondContact OE1-N 3.44Å; T647-G666 VanDerWaalsContact CG2-CA 3.49Å
667	I	83	Confident	65.7	Low	85 Å²	85	66.4 Å²	66.4	44%	0.436	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	126.5	176.1	-58.1	172.1	0	0	0	107.5	M645 Y669 I683	M645-I667 PolarHBondContact N-O 2.67Å; M645-I667 PolarHBondContact O-N 2.95Å; I667-Y669 HydrophobicContact CB-CD2 4.36Å; I667-Y669 HydrophobicContact CB-CE2 3.62Å; I667-Y669 HydrophobicContact CG2-CD2 4.2Å; I667-Y669 HydrophobicContact CG2-CE1 4.04Å; I667-Y669 HydrophobicContact CG2-CE2 3.62Å; I667-Y669 VanDerWaalsContact O-CD2 3.22Å; I667-Y669 WeakPolarHBondContact O-CD2 3.45Å; I667-Y669 WeakPolarHBondContact O-CE2 3.04Å; I667-I683 HydrophobicContact CG2-CG2 4.07Å
668	L	90.1	Very high	68.9	Low	31 Å²	31	64.3 Å²	64.3	16%	0.162	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.7	177	-167.7	67.9	0	0	0	109.5	F604 I642 E644 L684	F604-L668 HydrophobicContact CD2-CD2 4.4Å; I642-L668 HydrophobicContact CG2-CD1 3.59Å; I642-L668 HydrophobicContact CG2-CD2 4.33Å; I642-L668 HydrophobicContact CG2-CG 3.95Å; E644-L668 HydrophobicContact CB-CD1 4.32Å; L668-L684 HydrophobicContact CD2-CB 4.28Å; L668-L684 HydrophobicContact CD2-CD2 3.62Å; L668-L684 HydrophobicContact CD2-CG 3.92Å; L668-L684 HydrophobicContact CG-CB 4.28Å; L668-L684 HydrophobicContact CG-CD2 4.15Å; L668-L684 HydrophobicContact CG-CG 4.44Å; L668-L684 PolarHBondContact O-N 2.97Å
669	Y	91.3	Very high	72.1	Confident	34 Å²	34	55.1 Å²	55.1	13%	0.133	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.7	178.2	-66.3	-82.9	0	0	0	110.7	I642 V643 M645 I667 R681 V682 I683	I642-Y669 CarbonylContact C-O 3.57Å; I642-Y669 WeakPolarHBondContact CA-O 3.29Å; V643-Y669 PolarHBondContact N-O 2.96Å; V643-Y669 PolarHBondContact O-N 3.03Å; M645-Y669 HydrophobicContact CB-CD2 3.99Å; M645-Y669 HydrophobicContact CB-CE2 4.01Å; M645-Y669 HydrophobicContact CG-CD2 4.38Å; M645-Y669 HydrophobicContact SD-CD2 4.4Å; I667-Y669 HydrophobicContact CB-CD2 4.36Å; I667-Y669 HydrophobicContact CB-CE2 3.62Å; I667-Y669 HydrophobicContact CG2-CD2 4.2Å; I667-Y669 HydrophobicContact CG2-CE1 4.04Å; I667-Y669 HydrophobicContact CG2-CE2 3.62Å; I667-Y669 VanDerWaalsContact O-CD2 3.22Å; I667-Y669 WeakPolarHBondContact O-CD2 3.45Å; I667-Y669 WeakPolarHBondContact O-CE2 3.04Å; Y669-R681 HydrophobicContact CD1-CG 3.84Å; Y669-R681 HydrophobicContact CG-CG 4.45Å; Y669-V682 CarbonylContact C-O 3.55Å; Y669-V682 WeakPolarHBondContact CA-O 3.4Å; Y669-I683 HydrophobicContact CD1-CG1 4.01Å; Y669-I683 HydrophobicContact CE1-CD1 4.36Å; Y669-I683 HydrophobicContact CE1-CG1 3.67Å
670	M	94.2	Very high	75.2	Confident	0 Å²	0	50 Å²	50	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.3	164.6	-175.1	-176.1	62.3	0	0	109.3	A606 V614 I616 I642 I672 V682 L691	A606-M670 HydrophobicContact CB-SD 3.94Å; V614-M670 HydrophobicContact CG1-CE 4.29Å; V614-M670 HydrophobicContact CG1-SD 4.03Å; I616-M670 HydrophobicContact CD1-SD 3.75Å; I642-M670 HydrophobicContact CG1-CG 4.37Å; M670-I672 HydrophobicContact CE-CD1 3.63Å; M670-I672 HydrophobicContact CE-CG1 3.85Å; M670-I672 HydrophobicContact CG-CG1 4.37Å; M670-I672 HydrophobicContact SD-CG1 4.44Å; M670-V682 HydrophobicContact CE-CB 4.2Å; M670-V682 HydrophobicContact CE-CG2 4.29Å; M670-V682 PolarHBondContact N-O 2.97Å; M670-V682 PolarHBondContact O-N 3.39Å; M670-L691 HydrophobicContact CE-CD1 3.63Å; M670-L691 HydrophobicContact CE-CD2 3.6Å; M670-L691 HydrophobicContact CE-CG 4.27Å; M670-L691 HydrophobicContact SD-CD2 4.36Å
671	N	95.6	Very high	78.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130	173.7	-64.8	-81.3	0	0	0	109.1	L640 C641 V643 L679 L680 L706	L640-N671 CarbonylContact C-O 3.59Å; L640-N671 WeakPolarHBondContact CA-O 3.43Å; C641-N671 PolarHBondContact N-O 3.17Å; C641-N671 PolarHBondContact O-N 3.4Å; V643-N671 WeakPolarHBondContact CG2-ND2 3.2Å; N671-L679 HydrophobicContact CB-CD1 4.15Å; N671-L680 CarbonylContact C-O 3.46Å; N671-L680 WeakPolarHBondContact CA-O 3.3Å; N671-L706 VanDerWaalsContact C-CD1 3.47Å; N671-L706 HydrophobicContact CB-CD1 3.76Å; N671-L706 HydrophobicContact CB-CD2 4.49Å; N671-L706 WeakPolarHBondContact O-CD1 3.33Å
672	I	96.8	Very high	81.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	113.9	-179.8	-46	171.3	0	0	0	108.6	V614 I633 P637 L640 M670 L674 L679 L680 V682	V614-I672 HydrophobicContact CG2-CD1 4.11Å; V614-I672 HydrophobicContact CG2-CG2 4.24Å; I633-I672 HydrophobicContact CD1-CG2 4.49Å; I633-I672 HydrophobicContact CG2-CD1 4.2Å; P637-I672 HydrophobicContact CB-CG2 4.18Å; L640-I672 HydrophobicContact CD2-CB 3.95Å; L640-I672 HydrophobicContact CD2-CG1 3.7Å; L640-I672 HydrophobicContact CD2-CG2 3.73Å; M670-I672 HydrophobicContact CE-CD1 3.63Å; M670-I672 HydrophobicContact CE-CG1 3.85Å; M670-I672 HydrophobicContact CG-CG1 4.37Å; M670-I672 HydrophobicContact SD-CG1 4.44Å; I672-L674 HydrophobicContact CG2-CD2 3.82Å; I672-L679 CarbonylContact O-C 3.56Å; I672-L679 WeakPolarHBondContact O-CA 3.37Å; I672-L680 HydrophobicContact CB-CB 4.09Å; I672-L680 HydrophobicContact CB-CD1 4.49Å; I672-L680 HydrophobicContact CD1-CB 4.34Å; I672-L680 HydrophobicContact CD1-CD1 4.22Å; I672-L680 HydrophobicContact CG1-CB 4.49Å; I672-L680 PolarHBondContact N-O 3.47Å; I672-L680 PolarHBondContact O-N 2.89Å; I672-V682 HydrophobicContact CD1-CG2 4.2Å
673	G	96.8	Very high	84.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.2	171.8	0	0	0	0	0	110.5	E638 S639	E638-G673 PolarHBondContact N-O 3.33Å; S639-G673 PolarHBondContact N-O 2.86Å; S639-G673 PolarHBondContact O-N 3.3Å
674	L	96.4	Very high	87.6	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	158	179.2	-55.9	-173.5	0	0	0	111.8	I633 P634 P637 I672 N676 G677 V678 L680 V704	I633-L674 HydrophobicContact CB-CD2 4.42Å; I633-L674 HydrophobicContact CD1-CD2 3.83Å; P634-L674 HydrophobicContact CG-CD1 3.75Å; P637-L674 HydrophobicContact CB-CD2 4.4Å; I672-L674 HydrophobicContact CG2-CD2 3.82Å; L674-N676 WeakPolarHBondContact CB-OD1 3.47Å; L674-N676 PolarHBondContact O-N 3.16Å; L674-G677 PolarHBondContact O-N 3.34Å; L674-V678 HydrophobicContact CB-CB 4.49Å; L674-V678 WeakPolarHBondContact CB-O 3.43Å; L674-V678 HydrophobicContact CD1-CB 4.15Å; L674-V678 HydrophobicContact CD1-CG1 4.35Å; L674-V678 PolarHBondContact N-O 3.43Å; L674-L680 HydrophobicContact CD1-CD1 4.14Å; L674-L680 HydrophobicContact CD1-CG 4.31Å; L674-L680 HydrophobicContact CD2-CD1 4.45Å; L674-V704 PolarHBondContact O-N 3Å; L674-V704 VanDerWaalsContact O-N 3.09Å
675	I	95.5	Very high	89.9	Confident	81 Å²	81	25 Å²	25	42%	0.415	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.5	178.5	-162.3	172.9	0	0	0	113.6	S635 T636 G677 P703	S635-I675 VanDerWaalsContact OG-CG2 3.28Å; S635-I675 WeakPolarHBondContact OG-CG2 3.14Å; T636-I675 PolarHBondContact O-N 3.13Å; T636-I675 VanDerWaalsContact O-N 3.09Å; I675-G677 VanDerWaalsContact C-N 3.29Å; I675-G677 PolarHBondContact O-N 3.34Å; I675-P703 HydrophobicContact CG1-CB 4.19Å; I675-P703 HydrophobicContact CG1-CG 3.8Å; I675-P703 WeakPolarHBondContact O-CA 3.27Å
676	N	92.6	Very high	91.5	Very high	67 Å²	67	26.5 Å²	26.5	36%	0.358	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	7.2	-179.8	69.6	-9.5	0	0	0	114	L674 V678	L674-N676 WeakPolarHBondContact CB-OD1 3.47Å; L674-N676 PolarHBondContact O-N 3.16Å; N676-V678 WeakPolarHBondContact OD1-CB 3.5Å; N676-V678 WeakPolarHBondContact OD1-CG2 3.39Å; N676-V678 PolarHBondContact OD1-N 3.36Å
677	G	91.7	Very high	92.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	87.3	8.1	178.3	0	0	0	0	0	115.7	L674 I675 L699 G700 R702 V704	L674-G677 PolarHBondContact O-N 3.34Å; I675-G677 VanDerWaalsContact C-N 3.29Å; I675-G677 PolarHBondContact O-N 3.34Å; G677-L699 PolarHBondContact O-N 3.41Å; G677-G700 VanDerWaalsContact CA-O 3.27Å; G677-G700 WeakPolarHBondContact CA-O 3.31Å; G677-R702 VanDerWaalsContact CA-O 3.28Å; G677-R702 WeakPolarHBondContact CA-O 3.49Å; G677-V704 VanDerWaalsContact C-CG2 3.43Å
678	V	93.3	Very high	92.7	Very high	25 Å²	25	29 Å²	29	15%	0.152	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135	175.6	177.2	0	0	0	0	110.8	L674 N676 L680 R697 Y698	L674-V678 HydrophobicContact CB-CB 4.49Å; L674-V678 WeakPolarHBondContact CB-O 3.43Å; L674-V678 HydrophobicContact CD1-CB 4.15Å; L674-V678 HydrophobicContact CD1-CG1 4.35Å; L674-V678 PolarHBondContact N-O 3.43Å; N676-V678 WeakPolarHBondContact OD1-CB 3.5Å; N676-V678 WeakPolarHBondContact OD1-CG2 3.39Å; N676-V678 PolarHBondContact OD1-N 3.36Å; V678-L680 HydrophobicContact CG1-CD2 3.89Å; V678-R697 CarbonylContact C-O 3.6Å; V678-R697 WeakPolarHBondContact CA-O 3.32Å; V678-Y698 HydrophobicContact CG2-CD2 4.06Å
679	L	94.7	Very high	92.5	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	130.7	166.8	175.9	62.8	0	0	0	109.6	N671 I672 T696 R697 L699 L706 L736	N671-L679 HydrophobicContact CB-CD1 4.15Å; I672-L679 CarbonylContact O-C 3.56Å; I672-L679 WeakPolarHBondContact O-CA 3.37Å; L679-T696 CarbonylContact O-C 3.53Å; L679-T696 WeakPolarHBondContact O-CA 3.26Å; L679-R697 PolarHBondContact N-O 3.36Å; L679-R697 PolarHBondContact O-N 3.35Å; L679-L699 HydrophobicContact CB-CD1 3.66Å; L679-L699 HydrophobicContact CB-CD2 4.36Å; L679-L699 HydrophobicContact CB-CG 3.88Å; L679-L699 HydrophobicContact CD2-CD1 3.99Å; L679-L699 HydrophobicContact CG-CD1 4.4Å; L679-L706 HydrophobicContact CD1-CD1 4.19Å; L679-L706 HydrophobicContact CD1-CD2 3.75Å; L679-L736 HydrophobicContact CD2-CD1 4.27Å; L679-L736 HydrophobicContact CD2-CD2 4.13Å
680	L	94.3	Very high	92.5	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.026	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.3	168.2	-47	173.8	0	0	0	109.2	I633 N671 I672 L674 V678 T694 R695 T696	I633-L680 HydrophobicContact CB-CD1 4.33Å; I633-L680 HydrophobicContact CG2-CD1 3.65Å; N671-L680 CarbonylContact C-O 3.46Å; N671-L680 WeakPolarHBondContact CA-O 3.3Å; I672-L680 HydrophobicContact CB-CB 4.09Å; I672-L680 HydrophobicContact CB-CD1 4.49Å; I672-L680 HydrophobicContact CD1-CB 4.34Å; I672-L680 HydrophobicContact CD1-CD1 4.22Å; I672-L680 HydrophobicContact CG1-CB 4.49Å; I672-L680 PolarHBondContact N-O 3.47Å; I672-L680 PolarHBondContact O-N 2.89Å; L674-L680 HydrophobicContact CD1-CD1 4.14Å; L674-L680 HydrophobicContact CD1-CG 4.31Å; L674-L680 HydrophobicContact CD2-CD1 4.45Å; V678-L680 HydrophobicContact CG1-CD2 3.89Å; L680-T694 HydrophobicContact CB-CG2 4.22Å; L680-T694 HydrophobicContact CD2-CG2 4.39Å; L680-R695 CarbonylContact C-O 3.48Å; L680-R695 VanDerWaalsContact CA-O 3.25Å; L680-R695 WeakPolarHBondContact CA-O 3.36Å; L680-T696 HydrophobicContact CD2-CG2 3.27Å
681	R	92.8	Very high	92.3	Very high	25 Å²	25	33.5 Å²	33.5	9%	0.094	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.9	169.9	-177	179.1	74.5	-115.9	4	108.2	Y669 T694 R695 F734 E1218	Y669-R681 HydrophobicContact CD1-CG 3.84Å; Y669-R681 HydrophobicContact CG-CG 4.45Å; R681-T694 CarbonylContact O-C 3.49Å; R681-T694 WeakPolarHBondContact O-CA 3.37Å; R681-R695 HydrophobicContact CB-CB 4.36Å; R681-R695 PolarHBondContact N-O 2.88Å; R681-R695 PolarHBondContact O-N 2.87Å; R681-F734 VanDerWaalsContact NH1-CD1 3.33Å; R681-F734 VanDerWaalsContact NH1-CZ 3.33Å; R681-E1218 IonicContact CZ-OE1 2.76Å; R681-E1218 IonicContact NH1-OE1 3.26Å; R681-E1218 PolarHBondContact NH1-OE1 2.96Å; R681-E1218 IonicContact NH2-OE1 3.8Å; R681-E1218 PolarHBondContact NH2-OE1 2.74Å; R681-E1218 IonicContact NH2-OE2 2.79Å; R681-E1218 PolarHBondContact NH2-OE2 2.84Å; R681-E1218 VanDerWaalsContact NH2-OE2 3.07Å
682	V	93.1	Very high	91.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.2	-175.4	-170.4	0	0	0	0	108.3	Y669 M670 I672 L691 S692 T694	Y669-V682 CarbonylContact C-O 3.55Å; Y669-V682 WeakPolarHBondContact CA-O 3.4Å; M670-V682 HydrophobicContact CE-CB 4.2Å; M670-V682 HydrophobicContact CE-CG2 4.29Å; M670-V682 PolarHBondContact N-O 2.97Å; M670-V682 PolarHBondContact O-N 3.39Å; I672-V682 HydrophobicContact CD1-CG2 4.2Å; V682-L691 HydrophobicContact CG1-CB 3.78Å; V682-L691 HydrophobicContact CG1-CD2 3.94Å; V682-L691 HydrophobicContact CG1-CG 4.37Å; V682-S692 VanDerWaalsContact CG1-O 3.24Å; V682-S692 WeakPolarHBondContact CG1-O 3.5Å; V682-T694 HydrophobicContact CG2-CG2 3.96Å
683	I	91.3	Very high	91.2	Very high	41 Å²	41	38.3 Å²	38.3	21%	0.21	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	125.8	172.7	-61.6	177.5	0	0	0	107.7	I667 Y669 S692 D693	I667-I683 HydrophobicContact CG2-CG2 4.07Å; Y669-I683 HydrophobicContact CD1-CG1 4.01Å; Y669-I683 HydrophobicContact CE1-CD1 4.36Å; Y669-I683 HydrophobicContact CE1-CG1 3.67Å; I683-S692 PolarHBondContact N-O 2.85Å; I683-S692 PolarHBondContact O-N 2.82Å; I683-D693 HydrophobicContact CD1-CB 3.8Å; I683-D693 HydrophobicContact CG1-CB 4.16Å
684	L	91.7	Very high	90.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.1	176.2	177	64.1	0	0	0	108.3	F604 I616 I642 L668 P686 L691	F604-L684 HydrophobicContact CB-CD2 4.38Å; F604-L684 HydrophobicContact CD2-CD2 4.06Å; F604-L684 HydrophobicContact CD2-CG 4.45Å; F604-L684 HydrophobicContact CG-CD2 4.41Å; I616-L684 HydrophobicContact CG1-CD1 4.4Å; I642-L684 HydrophobicContact CD1-CD2 4.28Å; I642-L684 HydrophobicContact CG2-CD2 4.23Å; L668-L684 HydrophobicContact CD2-CB 4.28Å; L668-L684 HydrophobicContact CD2-CD2 3.62Å; L668-L684 HydrophobicContact CD2-CG 3.92Å; L668-L684 HydrophobicContact CG-CB 4.28Å; L668-L684 HydrophobicContact CG-CD2 4.15Å; L668-L684 HydrophobicContact CG-CG 4.44Å; L668-L684 PolarHBondContact O-N 2.97Å; L684-P686 WeakPolarHBondContact O-CD 3.27Å; L684-L691 HydrophobicContact CB-CD2 4.29Å; L684-L691 HydrophobicContact CD1-CD2 3.61Å
685	D	90.5	Very high	90.4	Very high	54 Å²	54	40.9 Å²	40.9	29%	0.289	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-66.5	122.3	175.7	-178.4	-36.1	0	0	0	109.9	F604 V687 T688 G689 E690	F604-D685 WeakPolarHBondContact CE2-O 3.2Å; D685-V687 PolarHBondContact O-N 2.83Å; D685-V687 WeakPolarHBondContact OD1-CA 3.38Å; D685-V687 WeakPolarHBondContact OD1-CB 3.48Å; D685-V687 PolarHBondContact OD1-N 2.83Å; D685-T688 WeakPolarHBondContact CB-OG1 3.46Å; D685-T688 PolarHBondContact OD1-N 2.8Å; D685-T688 PolarHBondContact OD2-OG1 3.33Å; D685-G689 WeakPolarHBondContact O-CA 3.33Å; D685-G689 PolarHBondContact O-N 3.4Å; D685-E690 HydrophobicContact CB-CB 4.5Å; D685-E690 PolarHBondContact N-O 3.27Å
686	P	87.2	Confident	90	Very high	86 Å²	86	41.5 Å²	41.5	56%	0.558	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.6	-176.7	27	-34.5	0	0	0	113.8	F604 L684	F604-P686 VanDerWaalsContact CE2-O 3.26Å; F604-P686 WeakPolarHBondContact CE2-O 3.18Å; F604-P686 WeakPolarHBondContact CZ-O 3.37Å; L684-P686 WeakPolarHBondContact O-CD 3.27Å
687	V	87.4	Confident	89.8	Confident	95 Å²	95	40.1 Å²	40.1	58%	0.576	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-46.3	-178.6	-176.9	0	0	0	0	111.6	R603 D685	R603-V687 VanDerWaalsContact CZ-O 3.31Å; R603-V687 PolarHBondContact NH1-O 2.93Å; D685-V687 PolarHBondContact O-N 2.83Å; D685-V687 WeakPolarHBondContact OD1-CA 3.38Å; D685-V687 WeakPolarHBondContact OD1-CB 3.48Å; D685-V687 PolarHBondContact OD1-N 2.83Å
688	T	88.7	Confident	89.7	Confident	61 Å²	61	46.1 Å²	46.1	37%	0.374	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-24	-172.7	64.3	0	0	0	0	113.2	D685 E690	D685-T688 WeakPolarHBondContact CB-OG1 3.46Å; D685-T688 PolarHBondContact OD1-N 2.8Å; D685-T688 PolarHBondContact OD2-OG1 3.33Å; T688-E690 PolarHBondContact O-N 2.94Å; T688-E690 WeakPolarHBondContact OG1-CB 3.45Å; T688-E690 WeakPolarHBondContact OG1-CG 3.44Å; T688-E690 PolarHBondContact OG1-N 2.91Å
689	G	86.7	Confident	89.4	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.			trans	71.4	12.4	-170.1	0	0	0	0	0	113.5	F604 T629 D685	F604-G689 VanDerWaalsContact CE1-CA 3.48Å; T629-G689 WeakPolarHBondContact CB-O 3.42Å; T629-G689 PolarHBondContact OG1-O 3.19Å; D685-G689 WeakPolarHBondContact O-CA 3.33Å; D685-G689 PolarHBondContact O-N 3.4Å
690	E	90.7	Very high	89	Confident	124 Å²	124	45 Å²	45	58%	0.579	24%	0.243	S	C	*	.			trans	-68.4	145.9	172.3	-72.4	-171.8	177.3	0	0	111	D685 T688	D685-E690 HydrophobicContact CB-CB 4.5Å; D685-E690 PolarHBondContact N-O 3.27Å; T688-E690 PolarHBondContact O-N 2.94Å; T688-E690 WeakPolarHBondContact OG1-CB 3.45Å; T688-E690 WeakPolarHBondContact OG1-CG 3.44Å; T688-E690 PolarHBondContact OG1-N 2.91Å
691	L	90.3	Very high	88.7	Confident	34 Å²	34	50 Å²	50	18%	0.178	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.5	-177.3	-68.1	-179.1	0	0	0	109.5	I616 T629 Q631 M670 V682 L684	I616-L691 HydrophobicContact CD1-CD1 4.43Å; I616-L691 HydrophobicContact CD1-CD2 4.45Å; I616-L691 HydrophobicContact CG1-CD1 4.05Å; I616-L691 HydrophobicContact CG1-CD2 4.31Å; I616-L691 HydrophobicContact CG1-CG 4.24Å; T629-L691 HydrophobicContact CG2-CB 4.15Å; T629-L691 HydrophobicContact CG2-CD1 4Å; T629-L691 HydrophobicContact CG2-CG 3.9Å; Q631-L691 HydrophobicContact CB-CD1 3.88Å; M670-L691 HydrophobicContact CE-CD1 3.63Å; M670-L691 HydrophobicContact CE-CD2 3.6Å; M670-L691 HydrophobicContact CE-CG 4.27Å; M670-L691 HydrophobicContact SD-CD2 4.36Å; V682-L691 HydrophobicContact CG1-CB 3.78Å; V682-L691 HydrophobicContact CG1-CD2 3.94Å; V682-L691 HydrophobicContact CG1-CG 4.37Å; L684-L691 HydrophobicContact CB-CD2 4.29Å; L684-L691 HydrophobicContact CD1-CD2 3.61Å
692	S	87.9	Confident	88.7	Confident	60 Å²	60	52.6 Å²	52.6	42%	0.42	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	165.4	-177.6	66.6	0	0	0	0	112.2	V682 I683 T694	V682-S692 VanDerWaalsContact CG1-O 3.24Å; V682-S692 WeakPolarHBondContact CG1-O 3.5Å; I683-S692 PolarHBondContact N-O 2.85Å; I683-S692 PolarHBondContact O-N 2.82Å; S692-T694 PolarHBondContact O-N 2.75Å
693	D	82.1	Confident	88.8	Confident	41 Å²	41	55 Å²	55	22%	0.219	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	48.1	61.2	174.7	-163.7	12.6	0	0	0	115.6	I683 R695	I683-D693 HydrophobicContact CD1-CB 3.8Å; I683-D693 HydrophobicContact CG1-CB 4.16Å; D693-R695 VanDerWaalsContact CG-NH2 3.3Å; D693-R695 PolarHBondContact O-N 2.89Å; D693-R695 IonicContact OD1-CZ 3.04Å; D693-R695 IonicContact OD1-NE 3.12Å; D693-R695 PolarHBondContact OD1-NE 3.38Å; D693-R695 IonicContact OD1-NH2 2.94Å; D693-R695 PolarHBondContact OD1-NH2 3.45Å; D693-R695 VanDerWaalsContact OD1-NH2 3.08Å; D693-R695 IonicContact OD2-CZ 2.72Å; D693-R695 IonicContact OD2-NE 2.7Å; D693-R695 PolarHBondContact OD2-NE 2.86Å; D693-R695 IonicContact OD2-NH2 2.64Å; D693-R695 PolarHBondContact OD2-NH2 3.26Å
694	T	88	Confident	89.1	Confident	37 Å²	37	53 Å²	53	23%	0.227	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	121.1	175.6	-55.9	0	0	0	0	111.3	Q631 L680 R681 V682 S692 T696 K1215	Q631-T694 PolarHBondContact NE2-OG1 2.88Å; L680-T694 HydrophobicContact CB-CG2 4.22Å; L680-T694 HydrophobicContact CD2-CG2 4.39Å; R681-T694 CarbonylContact O-C 3.49Å; R681-T694 WeakPolarHBondContact O-CA 3.37Å; V682-T694 HydrophobicContact CG2-CG2 3.96Å; S692-T694 PolarHBondContact O-N 2.75Å; T694-T696 HydrophobicContact CG2-CG2 4.42Å; T694-K1215 PolarHBondContact O-NZ 2.68Å
695	R	86.9	Confident	89.3	Confident	18 Å²	18	55.5 Å²	55.5	7%	0.068	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134	173.9	-54.9	-67.4	171.3	118	-6.7	109.6	L680 R681 D693 S1211 A1214 E1218	L680-R695 CarbonylContact C-O 3.48Å; L680-R695 VanDerWaalsContact CA-O 3.25Å; L680-R695 WeakPolarHBondContact CA-O 3.36Å; R681-R695 HydrophobicContact CB-CB 4.36Å; R681-R695 PolarHBondContact N-O 2.88Å; R681-R695 PolarHBondContact O-N 2.87Å; D693-R695 VanDerWaalsContact CG-NH2 3.3Å; D693-R695 PolarHBondContact O-N 2.89Å; D693-R695 IonicContact OD1-CZ 3.04Å; D693-R695 IonicContact OD1-NE 3.12Å; D693-R695 PolarHBondContact OD1-NE 3.38Å; D693-R695 IonicContact OD1-NH2 2.94Å; D693-R695 PolarHBondContact OD1-NH2 3.45Å; D693-R695 VanDerWaalsContact OD1-NH2 3.08Å; D693-R695 IonicContact OD2-CZ 2.72Å; D693-R695 IonicContact OD2-NE 2.7Å; D693-R695 PolarHBondContact OD2-NE 2.86Å; D693-R695 IonicContact OD2-NH2 2.64Å; D693-R695 PolarHBondContact OD2-NH2 3.26Å; R695-S1211 PolarHBondContact NH2-O 3.01Å; R695-A1214 PolarHBondContact NH1-O 3.44Å; R695-E1218 IonicContact CZ-OE2 3.53Å; R695-E1218 IonicContact NH1-OE2 2.67Å; R695-E1218 PolarHBondContact NH1-OE2 3.16Å
696	T	88.3	Confident	89.6	Confident	94 Å²	94	53.6 Å²	53.6	58%	0.577	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.3	-175	65.9	0	0	0	0	110.6	L679 L680 T694	L679-T696 CarbonylContact O-C 3.53Å; L679-T696 WeakPolarHBondContact O-CA 3.26Å; L680-T696 HydrophobicContact CD2-CG2 3.27Å; T694-T696 HydrophobicContact CG2-CG2 4.42Å
697	R	88.6	Confident	90	Very high	37 Å²	37	50.4 Å²	50.4	14%	0.14	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.1	175.6	-166.2	78.2	166.7	137.3	-12.5	110.3	V678 L679 L699 L736 T1222 A1225 F1226	V678-R697 CarbonylContact C-O 3.6Å; V678-R697 WeakPolarHBondContact CA-O 3.32Å; L679-R697 PolarHBondContact N-O 3.36Å; L679-R697 PolarHBondContact O-N 3.35Å; R697-L699 HydrophobicContact CB-CD2 4.17Å; R697-L699 HydrophobicContact CG-CD2 3.77Å; R697-L736 HydrophobicContact CB-CD2 3.99Å; R697-L736 HydrophobicContact CG-CD2 3.74Å; R697-T1222 VanDerWaalsContact NH1-CB 3.26Å; R697-T1222 PolarHBondContact NH1-O 3.24Å; R697-A1225 PolarHBondContact NH2-O 2.9Å; R697-F1226 PolarHBondContact NH2-OXT 2.85Å
698	Y	88.6	Confident	90.3	Very high	127 Å²	127	49.6 Å²	49.6	50%	0.498	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.9	169.3	179.7	-99	0	0	0	109.4	V678 G700 T701	V678-Y698 HydrophobicContact CG2-CD2 4.06Å; Y698-G700 WeakPolarHBondContact CE2-O 3.4Å; Y698-G700 VanDerWaalsContact CZ-C 3.49Å; Y698-G700 PolarHBondContact OH-O 3.18Å; Y698-T701 VanDerWaalsContact OH-CG2 3.26Å; Y698-T701 WeakPolarHBondContact OH-CG2 3.31Å
699	L	88.4	Confident	90.5	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	24%	0.236	C	C	.	.			trans	-101	-24.7	-175.5	-59.2	-169.2	0	0	0	113.3	G677 L679 R697 V704 W725 L736	G677-L699 PolarHBondContact O-N 3.41Å; L679-L699 HydrophobicContact CB-CD1 3.66Å; L679-L699 HydrophobicContact CB-CD2 4.36Å; L679-L699 HydrophobicContact CB-CG 3.88Å; L679-L699 HydrophobicContact CD2-CD1 3.99Å; L679-L699 HydrophobicContact CG-CD1 4.4Å; R697-L699 HydrophobicContact CB-CD2 4.17Å; R697-L699 HydrophobicContact CG-CD2 3.77Å; L699-V704 HydrophobicContact CD1-CG1 3.93Å; L699-V704 HydrophobicContact CD1-CG2 4.3Å; L699-W725 HydrophobicContact CB-CG 4.42Å; L699-W725 HydrophobicContact CD1-CB 4.36Å; L699-W725 HydrophobicContact CD1-CG 4.3Å; L699-W725 HydrophobicContact CD2-CB 4.45Å; L699-W725 HydrophobicContact CD2-CD2 3.83Å; L699-W725 HydrophobicContact CD2-CE3 4.28Å; L699-W725 HydrophobicContact CD2-CG 3.9Å; L699-W725 HydrophobicContact CG-CG 4.44Å; L699-W725 PolarHBondContact O-NE1 3.16Å; L699-L736 HydrophobicContact CD2-CD2 4.07Å
700	G	85.7	Confident	90.6	Very high	5 Å²	5	50.2 Å²	50.2	5%	0.052	25%	0.252	C	S	.	.			trans	168.8	-176	-172.1	0	0	0	0	0	113.2	G677 Y698 S722	G677-G700 VanDerWaalsContact CA-O 3.27Å; G677-G700 WeakPolarHBondContact CA-O 3.31Å; Y698-G700 WeakPolarHBondContact CE2-O 3.4Å; Y698-G700 VanDerWaalsContact CZ-C 3.49Å; Y698-G700 PolarHBondContact OH-O 3.18Å; G700-S722 WeakPolarHBondContact CA-OG 3.24Å
701	T	88.3	Confident	90.3	Very high	108 Å²	108	44.9 Å²	44.9	66%	0.663	23%	0.227	S	C	*	.	S	Bend	trans	-90.9	-11.8	-177.9	51.8	0	0	0	0	113.7	Y698 S722	Y698-T701 VanDerWaalsContact OH-CG2 3.26Å; Y698-T701 WeakPolarHBondContact OH-CG2 3.31Å; T701-S722 PolarHBondContact N-OG 2.79Å
702	R	92.4	Very high	89.8	Confident	81 Å²	81	46.9 Å²	46.9	31%	0.306	24%	0.236	S	C	.	.	S	Bend	trans	-96.1	156.3	-179.4	-63.5	178.6	63.7	176.5	1	111.5	G677 V704 S721 E745	G677-R702 VanDerWaalsContact CA-O 3.28Å; G677-R702 WeakPolarHBondContact CA-O 3.49Å; R702-V704 PolarHBondContact O-N 2.9Å; R702-S721 PolarHBondContact N-OG 2.8Å; R702-S721 PolarHBondContact O-OG 3.47Å; R702-E745 IonicContact CZ-OE1 3.94Å; R702-E745 IonicContact CZ-OE2 2.7Å; R702-E745 IonicContact NH1-OE1 2.67Å; R702-E745 PolarHBondContact NH1-OE1 2.98Å; R702-E745 IonicContact NH2-OE1 3.79Å; R702-E745 PolarHBondContact NH2-OE1 2.62Å; R702-E745 IonicContact NH2-OE2 3.89Å; R702-E745 PolarHBondContact NH2-OE2 3.49Å
703	P	95.6	Very high	89.5	Confident	49 Å²	49	46.5 Å²	46.5	32%	0.318	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-52.2	138.3	172	-26.1	35.3	0	0	0	112.2	E638 I675	E638-P703 HydrophobicContact CB-CB 4.35Å; E638-P703 HydrophobicContact CG-CB 3.84Å; I675-P703 HydrophobicContact CG1-CB 4.19Å; I675-P703 HydrophobicContact CG1-CG 3.8Å; I675-P703 WeakPolarHBondContact O-CA 3.27Å
704	V	96.4	Very high	89.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-87.4	117	-177.9	-175.7	0	0	0	0	110.5	S639 L674 G677 L699 R702 L706 V720	S639-V704 PolarHBondContact OG-O 3.14Å; L674-V704 PolarHBondContact O-N 3Å; L674-V704 VanDerWaalsContact O-N 3.09Å; G677-V704 VanDerWaalsContact C-CG2 3.43Å; L699-V704 HydrophobicContact CD1-CG1 3.93Å; L699-V704 HydrophobicContact CD1-CG2 4.3Å; R702-V704 PolarHBondContact O-N 2.9Å; V704-L706 HydrophobicContact CG1-CD2 4.09Å; V704-L706 HydrophobicContact CG1-CG 4.44Å; V704-V720 WeakPolarHBondContact CA-O 3.49Å
705	K	96.2	Very high	89.6	Confident	52 Å²	52	44.6 Å²	44.6	23%	0.226	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	133.9	170.3	-58.6	-179.2	-169.5	170.6	0	110.1	E638 S639 F707 S719 V720 E745	E638-K705 HydrophobicContact CG-CG 4.45Å; S639-K705 VanDerWaalsContact OG-CA 3.31Å; S639-K705 WeakPolarHBondContact OG-CA 3.44Å; K705-F707 HydrophobicContact CB-CE1 4.5Å; K705-F707 HydrophobicContact CB-CE2 3.87Å; K705-F707 HydrophobicContact CB-CZ 3.65Å; K705-F707 HydrophobicContact CD-CZ 4.22Å; K705-S719 CarbonylContact O-C 3.53Å; K705-S719 WeakPolarHBondContact O-CA 3.34Å; K705-V720 PolarHBondContact N-O 2.81Å; K705-V720 PolarHBondContact O-N 3.42Å; K705-E745 WeakPolarHBondContact CD-O 3.38Å; K705-E745 PolarHBondContact NZ-O 2.89Å
706	L	96.8	Very high	89.9	Confident	14 Å²	14	43.8 Å²	43.8	7%	0.073	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134	-176.7	-63.2	170.5	0	0	0	111.2	S639 C641 N671 L679 V704 V717 L718 S719	S639-L706 WeakPolarHBondContact OG-CG 3.19Å; S639-L706 PolarHBondContact OG-N 2.82Å; C641-L706 HydrophobicContact CB-CB 3.8Å; C641-L706 HydrophobicContact CB-CD1 4.19Å; N671-L706 VanDerWaalsContact C-CD1 3.47Å; N671-L706 HydrophobicContact CB-CD1 3.76Å; N671-L706 HydrophobicContact CB-CD2 4.49Å; N671-L706 WeakPolarHBondContact O-CD1 3.33Å; L679-L706 HydrophobicContact CD1-CD1 4.19Å; L679-L706 HydrophobicContact CD1-CD2 3.75Å; V704-L706 HydrophobicContact CG1-CD2 4.09Å; V704-L706 HydrophobicContact CG1-CG 4.44Å; L706-V717 HydrophobicContact CB-CG1 4.29Å; L706-V717 HydrophobicContact CD2-CG1 3.73Å; L706-L718 WeakPolarHBondContact CA-O 3.27Å; L706-S719 WeakPolarHBondContact CD2-OG 3.44Å
707	F	95.1	Very high	90.2	Very high	19 Å²	19	39.3 Å²	39.3	8%	0.083	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.1	179	-51.4	-66.3	0	0	0	110.3	K705 V717 L718 V720 Y746 A747	K705-F707 HydrophobicContact CB-CE1 4.5Å; K705-F707 HydrophobicContact CB-CE2 3.87Å; K705-F707 HydrophobicContact CB-CZ 3.65Å; K705-F707 HydrophobicContact CD-CZ 4.22Å; F707-V717 WeakPolarHBondContact O-CA 3.49Å; F707-L718 HydrophobicContact CB-CB 4.41Å; F707-L718 PolarHBondContact N-O 3.1Å; F707-L718 PolarHBondContact O-N 3.45Å; F707-V720 HydrophobicContact CD2-CG2 3.89Å; F707-V720 HydrophobicContact CE2-CB 3.98Å; F707-V720 HydrophobicContact CE2-CG2 3.64Å; F707-Y746 HydrophobicContact CD1-CD1 4.45Å; F707-Y746 HydrophobicContact CD1-CE1 4.06Å; F707-Y746 AromaticContact CE1-CD1 3.77Å; F707-Y746 HydrophobicContact CE1-CD1 3.77Å; F707-Y746 AromaticContact CE1-CD2 3.77Å; F707-Y746 HydrophobicContact CE1-CD2 3.77Å; F707-Y746 AromaticContact CE1-CE1 3.5Å; F707-Y746 HydrophobicContact CE1-CE1 3.5Å; F707-Y746 AromaticContact CE1-CE2 3.51Å; F707-Y746 HydrophobicContact CE1-CE2 3.51Å; F707-Y746 AromaticContact CE1-CG 3.9Å; F707-Y746 HydrophobicContact CE1-CG 3.9Å; F707-Y746 AromaticContact CE1-CZ 3.37Å; F707-Y746 AromaticContact CZ-CD1 3.98Å; F707-Y746 HydrophobicContact CZ-CD1 3.98Å; F707-Y746 AromaticContact CZ-CD2 3.63Å; F707-Y746 HydrophobicContact CZ-CD2 3.63Å; F707-Y746 HydrophobicContact CZ-CE1 4.17Å; F707-Y746 AromaticContact CZ-CE2 3.84Å; F707-Y746 HydrophobicContact CZ-CE2 3.84Å; F707-Y746 AromaticContact CZ-CG 3.7Å; F707-Y746 HydrophobicContact CZ-CG 3.7Å; F707-A747 VanDerWaalsContact CD1-O 3.25Å; F707-A747 WeakPolarHBondContact CD1-O 3.49Å; F707-A747 HydrophobicContact CD2-CB 3.97Å; F707-A747 HydrophobicContact CE2-CB 4.35Å; F707-A747 HydrophobicContact CG-CB 4.49Å; F707-A747 VanDerWaalsContact CG-O 3.26Å; F707-A747 WeakPolarHBondContact CG-O 3.42Å
708	R	93.7	Very high	90.6	Very high	79 Å²	79	37.5 Å²	37.5	30%	0.298	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	130.1	172.2	-173	-176	-64	155.6	5.9	109	L592 I642 V643 E715	L592-R708 PolarHBondContact O-NH2 2.8Å; I642-R708 PolarHBondContact O-NE 3.39Å; I642-R708 PolarHBondContact O-NH2 2.72Å; V643-R708 HydrophobicContact CG1-CG 4.1Å; R708-E715 IonicContact NE-OE2 3.21Å
709	I	92.7	Very high	90.9	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	162.6	173.8	68.8	171.5	0	0	0	110	M711 A716 L718 L726 I759	I709-M711 HydrophobicContact CD1-CE 3.47Å; I709-M711 VanDerWaalsContact CD1-CE 3.47Å; I709-M711 HydrophobicContact CD1-CG 3.9Å; I709-M711 HydrophobicContact CG1-CE 4.44Å; I709-M711 HydrophobicContact CG1-CG 4.22Å; I709-A716 HydrophobicContact CG1-CB 3.92Å; I709-A716 PolarHBondContact N-O 2.94Å; I709-A716 PolarHBondContact O-N 3.27Å; I709-A716 VanDerWaalsContact O-O 3.08Å; I709-L718 HydrophobicContact CD1-CB 4.23Å; I709-L718 HydrophobicContact CG2-CB 4.3Å; I709-L726 HydrophobicContact CD1-CD1 3.44Å; I709-L726 VanDerWaalsContact CD1-CD1 3.44Å; I709-L726 HydrophobicContact CG1-CD1 4.14Å; I709-I759 HydrophobicContact CD1-CD1 3.84Å; I709-I759 HydrophobicContact CD1-CG1 4.07Å
710	M	89.1	Confident	91.2	Very high	69 Å²	69	31.6 Å²	31.6	34%	0.34	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134.7	171.9	-65.2	-63.1	-60	0	0	108.9	G713 G714 E715	M710-G713 WeakPolarHBondContact CE-O 3.42Å; M710-G714 WeakPolarHBondContact CA-O 3.31Å; M710-E715 HydrophobicContact SD-CG 4.07Å
711	M	85.9	Confident	91.6	Very high	12 Å²	12	31.4 Å²	31.4	6%	0.059	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	125.1	176.5	-73.5	-69.4	156.9	0	0	109.5	I709 G713 G714 A716 L726 I759 L772	I709-M711 HydrophobicContact CD1-CE 3.47Å; I709-M711 VanDerWaalsContact CD1-CE 3.47Å; I709-M711 HydrophobicContact CD1-CG 3.9Å; I709-M711 HydrophobicContact CG1-CE 4.44Å; I709-M711 HydrophobicContact CG1-CG 4.22Å; M711-G713 PolarHBondContact O-N 3.09Å; M711-G714 PolarHBondContact N-O 2.82Å; M711-G714 PolarHBondContact O-N 2.97Å; M711-A716 HydrophobicContact CB-CB 4.07Å; M711-A716 HydrophobicContact CG-CB 4.03Å; M711-L726 HydrophobicContact CG-CD2 4.36Å; M711-I759 HydrophobicContact CE-CD1 3.79Å; M711-I759 HydrophobicContact CE-CG1 3.82Å; M711-L772 HydrophobicContact CE-CB 4.39Å; M711-L772 HydrophobicContact CE-CD1 3.75Å; M711-L772 HydrophobicContact CE-CG 4.14Å; M711-L772 HydrophobicContact SD-CB 4.29Å; M711-L772 HydrophobicContact SD-CD1 4.15Å
712	Q	80	Confident	91.6	Very high	77 Å²	77	28.1 Å²	28.1	36%	0.36	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	42.2	-174.2	-73.1	179.6	-12	0	0	112.9	G714 E757 L775	Q712-G714 PolarHBondContact O-N 3.06Å; Q712-G714 VanDerWaalsContact O-N 3.11Å; Q712-E757 WeakPolarHBondContact CA-OE2 3.31Å; Q712-E757 PolarHBondContact N-OE1 3.38Å; Q712-E757 PolarHBondContact N-OE2 3.36Å; Q712-L775 HydrophobicContact CB-CD1 4.43Å; Q712-L775 HydrophobicContact CG-CD1 3.46Å; Q712-L775 VanDerWaalsContact CG-CD1 3.46Å
713	G	79.7	Confident	91.4	Very high	52 Å²	52	27.4 Å²	27.4	54%	0.536	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	-5.9	-176.9	0	0	0	0	0	116	M710 M711 E757	M710-G713 WeakPolarHBondContact CE-O 3.42Å; M711-G713 PolarHBondContact O-N 3.09Å; G713-E757 PolarHBondContact N-OE1 2.65Å
714	G	83.9	Confident	91.3	Very high	14 Å²	14	25.1 Å²	25.1	14%	0.144	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	158.8	176.1	0	0	0	0	0	113.2	M710 M711 Q712	M710-G714 WeakPolarHBondContact CA-O 3.31Å; M711-G714 PolarHBondContact N-O 2.82Å; M711-G714 PolarHBondContact O-N 2.97Å; Q712-G714 PolarHBondContact O-N 3.06Å; Q712-G714 VanDerWaalsContact O-N 3.11Å
715	E	90	Very high	91.2	Very high	23 Å²	23	25.5 Å²	25.5	11%	0.107	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.6	171.5	-62	-162.4	160.3	0	0	111	R594 V643 E644 R708 M710	R594-E715 WeakPolarHBondContact CD-OE1 3.18Å; R594-E715 IonicContact NH1-OE1 2.78Å; V643-E715 WeakPolarHBondContact CA-OE2 3.4Å; V643-E715 HydrophobicContact CB-CB 4.44Å; E644-E715 PolarHBondContact N-OE2 3.14Å; R708-E715 IonicContact NE-OE2 3.21Å; M710-E715 HydrophobicContact SD-CG 4.07Å
716	A	92.5	Very high	91.1	Very high	1 Å²	1	23 Å²	23	1%	0.008	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	161.5	174.9	0	0	0	0	0	110.9	I709 M711 L726 S727	I709-A716 HydrophobicContact CG1-CB 3.92Å; I709-A716 PolarHBondContact N-O 2.94Å; I709-A716 PolarHBondContact O-N 3.27Å; I709-A716 VanDerWaalsContact O-O 3.08Å; M711-A716 HydrophobicContact CB-CB 4.07Å; M711-A716 HydrophobicContact CG-CB 4.03Å; A716-L726 HydrophobicContact CB-CD1 4.01Å; A716-S727 CarbonylContact C-O 3.55Å; A716-S727 WeakPolarHBondContact CA-O 3.45Å; A716-S727 WeakPolarHBondContact CB-O 3.28Å
717	V	95	Very high	91	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.6	-180	179.4	0	0	0	0	109.9	C641 V643 M645 L706 F707 S727	C641-V717 HydrophobicContact CB-CG1 4.48Å; V643-V717 HydrophobicContact CB-CG2 4.11Å; V643-V717 HydrophobicContact CG1-CG2 3.43Å; V643-V717 VanDerWaalsContact CG1-CG2 3.43Å; V643-V717 HydrophobicContact CG2-CG2 3.59Å; M645-V717 HydrophobicContact CE-CB 4.37Å; M645-V717 HydrophobicContact CE-CG2 3.85Å; L706-V717 HydrophobicContact CB-CG1 4.29Å; L706-V717 HydrophobicContact CD2-CG1 3.73Å; F707-V717 WeakPolarHBondContact O-CA 3.49Å; V717-S727 PolarHBondContact N-O 2.89Å; V717-S727 WeakPolarHBondContact O-CB 3.22Å; V717-S727 PolarHBondContact O-N 2.83Å
718	L	96.2	Very high	90.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118.1	170.3	-176.4	65.1	0	0	0	109.5	L706 F707 I709 V720 W725 L739 A747 I759	L706-L718 WeakPolarHBondContact CA-O 3.27Å; F707-L718 HydrophobicContact CB-CB 4.41Å; F707-L718 PolarHBondContact N-O 3.1Å; F707-L718 PolarHBondContact O-N 3.45Å; I709-L718 HydrophobicContact CD1-CB 4.23Å; I709-L718 HydrophobicContact CG2-CB 4.3Å; L718-V720 HydrophobicContact CD2-CG2 4.39Å; L718-V720 HydrophobicContact CG-CG2 4.14Å; L718-W725 CarbonylContact C-O 3.55Å; L718-W725 WeakPolarHBondContact CA-O 3.48Å; L718-L739 HydrophobicContact CD1-CD1 3.72Å; L718-L739 HydrophobicContact CD1-CG 4.38Å; L718-A747 HydrophobicContact CD2-CB 3.45Å; L718-A747 VanDerWaalsContact CD2-CB 3.45Å; L718-I759 HydrophobicContact CD2-CD1 4.27Å; L718-I759 HydrophobicContact CD2-CG2 3.95Å
719	S	96	Very high	90.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	110.7	179.1	-50.1	0	0	0	0	109.6	K705 L706 S724 W725	K705-S719 CarbonylContact O-C 3.53Å; K705-S719 WeakPolarHBondContact O-CA 3.34Å; L706-S719 WeakPolarHBondContact CD2-OG 3.44Å; S719-S724 CarbonylContact O-C 3.58Å; S719-S724 WeakPolarHBondContact O-CA 3.33Å; S719-W725 PolarHBondContact N-O 2.95Å; S719-W725 PolarHBondContact O-N 3.16Å
720	V	95.1	Very high	89.7	Confident	4 Å²	4	20.7 Å²	20.7	2%	0.024	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.4	-177.5	177.9	0	0	0	0	110.3	V704 K705 F707 L718 L744	V704-V720 WeakPolarHBondContact CA-O 3.49Å; K705-V720 PolarHBondContact N-O 2.81Å; K705-V720 PolarHBondContact O-N 3.42Å; F707-V720 HydrophobicContact CD2-CG2 3.89Å; F707-V720 HydrophobicContact CE2-CB 3.98Å; F707-V720 HydrophobicContact CE2-CG2 3.64Å; L718-V720 HydrophobicContact CD2-CG2 4.39Å; L718-V720 HydrophobicContact CG-CG2 4.14Å; V720-L744 HydrophobicContact CG1-CB 3.9Å; V720-L744 WeakPolarHBondContact CG1-O 3.37Å; V720-L744 HydrophobicContact CG2-CB 4.31Å
721	S	92.8	Very high	89	Confident	1 Å²	1	19.8 Å²	19.8	1%	0.007	12%	0.115	C	C	.	.	S	Bend	trans	-139.9	-137.9	176.3	179.2	0	0	0	0	109.3	R702 R723	R702-S721 PolarHBondContact N-OG 2.8Å; R702-S721 PolarHBondContact O-OG 3.47Å; S721-R723 CarbonylContact C-O 3.24Å; S721-R723 PolarHBondContact N-O 3.49Å; S721-R723 PolarHBondContact O-N 2.91Å
722	S	89.4	Confident	88.1	Confident	39 Å²	39	25 Å²	25	27%	0.273	14%	0.143	S	C	.	.	S	Bend	trans	-67.7	-22.6	168.9	62.3	0	0	0	0	112	G700 T701	G700-S722 WeakPolarHBondContact CA-OG 3.24Å; T701-S722 PolarHBondContact N-OG 2.79Å
723	R	88.6	Confident	87.9	Confident	66 Å²	66	24.3 Å²	24.3	25%	0.249	14%	0.137	C	C	.	.	S	Bend	trans	-128.8	154.8	162.1	-68.7	-171.3	-68.9	-168.8	-10	109	T420 S721	T420-R723 VanDerWaalsContact OG1-CZ 3.32Å; T420-R723 PolarHBondContact OG1-NH1 3.07Å; T420-R723 PolarHBondContact OG1-NH2 3.07Å; S721-R723 CarbonylContact C-O 3.24Å; S721-R723 PolarHBondContact N-O 3.49Å; S721-R723 PolarHBondContact O-N 2.91Å
724	S	93.2	Very high	88.1	Confident	1 Å²	1	24 Å²	24	1%	0.007	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	137.2	174.1	-56.8	0	0	0	0	109.1	S719 P738 L739 L744	S719-S724 CarbonylContact O-C 3.58Å; S719-S724 WeakPolarHBondContact O-CA 3.33Å; S724-P738 CarbonylContact O-C 3.5Å; S724-P738 VanDerWaalsContact O-CA 3.26Å; S724-P738 WeakPolarHBondContact O-CA 3.43Å; S724-L739 PolarHBondContact O-N 2.78Å; S724-L744 WeakPolarHBondContact OG-CD1 3.28Å; S724-L744 WeakPolarHBondContact OG-CG 3.38Å
725	W	94.2	Very high	88.2	Confident	9 Å²	9	25.9 Å²	25.9	3%	0.034	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133	-177.6	-67.9	77.1	0	0	0	110.5	L699 L718 S719 L736 I737 P738	L699-W725 HydrophobicContact CB-CG 4.42Å; L699-W725 HydrophobicContact CD1-CB 4.36Å; L699-W725 HydrophobicContact CD1-CG 4.3Å; L699-W725 HydrophobicContact CD2-CB 4.45Å; L699-W725 HydrophobicContact CD2-CD2 3.83Å; L699-W725 HydrophobicContact CD2-CE3 4.28Å; L699-W725 HydrophobicContact CD2-CG 3.9Å; L699-W725 HydrophobicContact CG-CG 4.44Å; L699-W725 PolarHBondContact O-NE1 3.16Å; L718-W725 CarbonylContact C-O 3.55Å; L718-W725 WeakPolarHBondContact CA-O 3.48Å; S719-W725 PolarHBondContact N-O 2.95Å; S719-W725 PolarHBondContact O-N 3.16Å; W725-L736 HydrophobicContact CB-CD1 3.89Å; W725-L736 HydrophobicContact CE3-CD1 4.27Å; W725-L736 HydrophobicContact CE3-CG 3.93Å; W725-L736 WeakPolarHBondContact CZ3-O 3.34Å; W725-I737 CarbonylContact C-O 3.52Å; W725-I737 WeakPolarHBondContact CA-O 3.42Å; W725-P738 HydrophobicContact CD2-CB 3.88Å; W725-P738 HydrophobicContact CE3-CB 4.07Å; W725-P738 HydrophobicContact CE3-CG 4.32Å; W725-P738 HydrophobicContact CG-CB 4.38Å; W725-P738 HydrophobicContact CH2-CB 4.42Å; W725-P738 HydrophobicContact CH2-CG 4.24Å; W725-P738 HydrophobicContact CZ2-CB 4.24Å; W725-P738 HydrophobicContact CZ2-CG 4.49Å; W725-P738 HydrophobicContact CZ3-CB 4.34Å; W725-P738 HydrophobicContact CZ3-CG 4.17Å
726	L	94.3	Very high	88.2	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.1	175.1	-177.4	66.4	0	0	0	110.4	L442 I709 M711 A716 Y728 L736 I737 L739 L772 L775	L442-L726 HydrophobicContact CD1-CB 4.29Å; L442-L726 HydrophobicContact CD1-CD2 3.69Å; I709-L726 HydrophobicContact CD1-CD1 3.44Å; I709-L726 VanDerWaalsContact CD1-CD1 3.44Å; I709-L726 HydrophobicContact CG1-CD1 4.14Å; M711-L726 HydrophobicContact CG-CD2 4.36Å; A716-L726 HydrophobicContact CB-CD1 4.01Å; L726-Y728 HydrophobicContact CB-CD1 4.47Å; L726-Y728 HydrophobicContact CD2-CD1 3.75Å; L726-Y728 HydrophobicContact CD2-CE1 4.24Å; L726-Y728 HydrophobicContact CD2-CG 4.23Å; L726-Y728 HydrophobicContact CG-CD1 3.77Å; L726-Y728 HydrophobicContact CG-CG 4.4Å; L726-L736 WeakPolarHBondContact O-CA 3.36Å; L726-I737 PolarHBondContact N-O 3.25Å; L726-I737 PolarHBondContact O-N 2.84Å; L726-L739 HydrophobicContact CB-CD2 4.18Å; L726-L772 HydrophobicContact CD2-CD1 3.63Å; L726-L775 HydrophobicContact CD2-CD2 4.11Å
727	S	93	Very high	88.1	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	114.8	170	160.1	0	0	0	0	109.1	M645 A716 V717 F734 H735	M645-S727 WeakPolarHBondContact CE-O 3.43Å; M645-S727 WeakPolarHBondContact CE-OG 3.37Å; A716-S727 CarbonylContact C-O 3.55Å; A716-S727 WeakPolarHBondContact CA-O 3.45Å; A716-S727 WeakPolarHBondContact CB-O 3.28Å; V717-S727 PolarHBondContact N-O 2.89Å; V717-S727 WeakPolarHBondContact O-CB 3.22Å; V717-S727 PolarHBondContact O-N 2.83Å; S727-F734 WeakPolarHBondContact OG-CE2 3.48Å; S727-F734 WeakPolarHBondContact OG-CZ 3.43Å; S727-H735 CarbonylContact C-O 3.52Å; S727-H735 VanDerWaalsContact CA-O 3.25Å; S727-H735 WeakPolarHBondContact CA-O 3.31Å
728	Y	90.6	Very high	88	Confident	5 Å²	5	26.2 Å²	26.2	2%	0.02	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	161.6	-178.6	68.5	-73.4	0	0	0	111.6	L442 L726 Y730 H735 I737 L775 G776	L442-Y728 HydrophobicContact CD1-CE1 4.2Å; L726-Y728 HydrophobicContact CB-CD1 4.47Å; L726-Y728 HydrophobicContact CD2-CD1 3.75Å; L726-Y728 HydrophobicContact CD2-CE1 4.24Å; L726-Y728 HydrophobicContact CD2-CG 4.23Å; L726-Y728 HydrophobicContact CG-CD1 3.77Å; L726-Y728 HydrophobicContact CG-CG 4.4Å; Y728-Y730 HydrophobicContact CE2-CD2 4.38Å; Y728-Y730 HydrophobicContact CE2-CG 4.19Å; Y728-H735 HydrophobicContact CD1-CB 4.17Å; Y728-H735 HydrophobicContact CE1-CB 3.73Å; Y728-H735 PolarHBondContact N-O 3.47Å; Y728-H735 PolarHBondContact O-N 3.22Å; Y728-I737 HydrophobicContact CE1-CD1 4.15Å; Y728-I737 HydrophobicContact CE1-CG1 4.45Å; Y728-L775 HydrophobicContact CD2-CD2 3.86Å; Y728-L775 HydrophobicContact CE1-CD2 4.31Å; Y728-L775 HydrophobicContact CE2-CB 4.18Å; Y728-L775 HydrophobicContact CE2-CD2 3.59Å; Y728-L775 HydrophobicContact CE2-CG 4.47Å; Y728-L775 HydrophobicContact CG-CD2 4.33Å; Y728-G776 WeakPolarHBondContact OH-CA 3.35Å; Y728-G776 PolarHBondContact OH-N 2.86Å
729	A	84.1	Confident	87.8	Confident	24 Å²	24	26.4 Å²	26.4	20%	0.198	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.3	173.6	0	0	0	0	0	110.2	M645 R733	M645-A729 HydrophobicContact CB-CB 4.5Å; A729-R733 CarbonylContact C-O 3.43Å; A729-R733 WeakPolarHBondContact CA-O 3.4Å
730	Y	79.6	Confident	87.4	Confident	37 Å²	37	28 Å²	28	15%	0.145	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	128	177.8	-173.2	-105.3	0	0	0	109.7	T52 Y728 N732 R733	T52-Y730 PolarHBondContact O-OH 2.89Å; Y728-Y730 HydrophobicContact CE2-CD2 4.38Å; Y728-Y730 HydrophobicContact CE2-CG 4.19Å; Y730-N732 PolarHBondContact O-N 3.46Å; Y730-R733 PolarHBondContact N-O 3.22Å; Y730-R733 WeakPolarHBondContact O-CB 3.48Å; Y730-R733 PolarHBondContact O-N 2.95Å
731	Q	74.2	Confident	87.1	Confident	50 Å²	50	30 Å²	30	23%	0.234	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	43.8	-175.5	-60.8	177.5	-8.2	0	0	112.8	T52 R733	T52-Q731 PolarHBondContact O-NE2 2.8Å; Q731-R733 PolarHBondContact O-N 2.87Å; Q731-R733 VanDerWaalsContact O-N 3.15Å
732	N	68.9	Low	86.8	Confident	121 Å²	121	35.1 Å²	35.1	65%	0.647	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	18.9	-175.5	-60.7	-21.8	0	0	0	115.1	Y730	Y730-N732 PolarHBondContact O-N 3.46Å
733	R	75.6	Confident	86.8	Confident	63 Å²	63	34.9 Å²	34.9	24%	0.238	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	144.5	173.9	-66	-177.5	178.4	-163.2	-0.7	110.5	A729 Y730 Q731 S1193	A729-R733 CarbonylContact C-O 3.43Å; A729-R733 WeakPolarHBondContact CA-O 3.4Å; Y730-R733 PolarHBondContact N-O 3.22Å; Y730-R733 WeakPolarHBondContact O-CB 3.48Å; Y730-R733 PolarHBondContact O-N 2.95Å; Q731-R733 PolarHBondContact O-N 2.87Å; Q731-R733 VanDerWaalsContact O-N 3.15Å; R733-S1193 PolarHBondContact NE-OG 2.85Å; R733-S1193 VanDerWaalsContact NE-OG 3.14Å; R733-S1193 PolarHBondContact NH2-OG 3.33Å
734	F	82.1	Confident	87	Confident	47 Å²	47	31.7 Å²	31.7	21%	0.206	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.5	173.9	-179.2	-86.1	0	0	0	110.2	M645 R681 S727 L736	M645-F734 HydrophobicContact SD-CD2 4.01Å; M645-F734 HydrophobicContact SD-CE2 3.83Å; R681-F734 VanDerWaalsContact NH1-CD1 3.33Å; R681-F734 VanDerWaalsContact NH1-CZ 3.33Å; S727-F734 WeakPolarHBondContact OG-CE2 3.48Å; S727-F734 WeakPolarHBondContact OG-CZ 3.43Å; F734-L736 HydrophobicContact CE1-CB 3.79Å; F734-L736 HydrophobicContact CZ-CB 4.43Å
735	H	86	Confident	87	Confident	53 Å²	53	33.7 Å²	33.7	25%	0.245	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139	175.1	-70.9	-15.9	0	0	0	110.2	S727 Y728 I737	S727-H735 CarbonylContact C-O 3.52Å; S727-H735 VanDerWaalsContact CA-O 3.25Å; S727-H735 WeakPolarHBondContact CA-O 3.31Å; Y728-H735 HydrophobicContact CD1-CB 4.17Å; Y728-H735 HydrophobicContact CE1-CB 3.73Å; Y728-H735 PolarHBondContact N-O 3.47Å; Y728-H735 PolarHBondContact O-N 3.22Å; H735-I737 HydrophobicContact CB-CD1 4.16Å; H735-I737 HydrophobicContact CB-CG1 4.23Å
736	L	90.2	Very high	87	Confident	18 Å²	18	35.5 Å²	35.5	9%	0.094	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	94.9	174	176.6	62.5	0	0	0	108.3	L679 R697 L699 W725 L726 F734	L679-L736 HydrophobicContact CD2-CD1 4.27Å; L679-L736 HydrophobicContact CD2-CD2 4.13Å; R697-L736 HydrophobicContact CB-CD2 3.99Å; R697-L736 HydrophobicContact CG-CD2 3.74Å; L699-L736 HydrophobicContact CD2-CD2 4.07Å; W725-L736 HydrophobicContact CB-CD1 3.89Å; W725-L736 HydrophobicContact CE3-CD1 4.27Å; W725-L736 HydrophobicContact CE3-CG 3.93Å; W725-L736 WeakPolarHBondContact CZ3-O 3.34Å; L726-L736 WeakPolarHBondContact O-CA 3.36Å; F734-L736 HydrophobicContact CE1-CB 3.79Å; F734-L736 HydrophobicContact CZ-CB 4.43Å
737	I	91.5	Very high	87	Confident	11 Å²	11	35.5 Å²	35.5	6%	0.056	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.5	-169.1	-57.5	-179.7	0	0	0	108.5	L442 W725 L726 Y728 H735	L442-I737 HydrophobicContact CD2-CD1 4.37Å; L442-I737 HydrophobicContact CD2-CG2 4.15Å; L442-I737 HydrophobicContact CG-CB 4.27Å; L442-I737 HydrophobicContact CG-CG2 3.81Å; W725-I737 CarbonylContact C-O 3.52Å; W725-I737 WeakPolarHBondContact CA-O 3.42Å; L726-I737 PolarHBondContact N-O 3.25Å; L726-I737 PolarHBondContact O-N 2.84Å; Y728-I737 HydrophobicContact CE1-CD1 4.15Å; Y728-I737 HydrophobicContact CE1-CG1 4.45Å; H735-I737 HydrophobicContact CB-CD1 4.16Å; H735-I737 HydrophobicContact CB-CG1 4.23Å
738	P	92.5	Very high	87.1	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	154.8	176.2	30	-31.8	0	0	0	110.4	H440 G441 L442 S724 W725	H440-P738 WeakPolarHBondContact CE1-CD 3.49Å; H440-P738 VanDerWaalsContact NE2-CD 3.3Å; H440-P738 WeakPolarHBondContact NE2-CD 3.38Å; H440-P738 WeakPolarHBondContact O-CG 3.41Å; G441-P738 CarbonylContact C-O 3.59Å; G441-P738 WeakPolarHBondContact CA-O 3.42Å; L442-P738 PolarHBondContact N-O 3.4Å; S724-P738 CarbonylContact O-C 3.5Å; S724-P738 VanDerWaalsContact O-CA 3.26Å; S724-P738 WeakPolarHBondContact O-CA 3.43Å; W725-P738 HydrophobicContact CD2-CB 3.88Å; W725-P738 HydrophobicContact CE3-CB 4.07Å; W725-P738 HydrophobicContact CE3-CG 4.32Å; W725-P738 HydrophobicContact CG-CB 4.38Å; W725-P738 HydrophobicContact CH2-CB 4.42Å; W725-P738 HydrophobicContact CH2-CG 4.24Å; W725-P738 HydrophobicContact CZ2-CB 4.24Å; W725-P738 HydrophobicContact CZ2-CG 4.49Å; W725-P738 HydrophobicContact CZ3-CB 4.34Å; W725-P738 HydrophobicContact CZ3-CG 4.17Å
739	L	92.3	Very high	87.3	Confident	4 Å²	4	37 Å²	37	2%	0.021	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-85	131.8	166	-58.7	-173.3	0	0	0	107.9	L442 V444 L718 S724 L726 Y741 L772	L442-L739 HydrophobicContact CB-CD2 4.05Å; L442-L739 HydrophobicContact CD1-CD2 4.16Å; V444-L739 HydrophobicContact CG2-CB 3.94Å; V444-L739 HydrophobicContact CG2-CD2 4.38Å; L718-L739 HydrophobicContact CD1-CD1 3.72Å; L718-L739 HydrophobicContact CD1-CG 4.38Å; S724-L739 PolarHBondContact O-N 2.78Å; L726-L739 HydrophobicContact CB-CD2 4.18Å; L739-Y741 PolarHBondContact O-N 3.36Å; L739-L772 HydrophobicContact CD2-CD1 3.92Å; L739-L772 HydrophobicContact CD2-CD2 3.9Å
740	S	88.1	Confident	87.7	Confident	34 Å²	34	36.6 Å²	36.6	24%	0.238	18%	0.184	C	C	.	.	S	Bend	trans	-78.3	68.3	175.5	-65.5	0	0	0	0	110.2	G441 L442 N780	G441-S740 WeakPolarHBondContact CA-OG 3.49Å; G441-S740 PolarHBondContact O-OG 3.14Å; L442-S740 WeakPolarHBondContact O-CB 3.46Å; L442-S740 PolarHBondContact O-N 2.76Å; S740-N780 WeakPolarHBondContact CB-ND2 3.46Å; S740-N780 PolarHBondContact OG-ND2 2.99Å
741	Y	88	Confident	88.3	Confident	47 Å²	47	35.9 Å²	35.9	18%	0.184	18%	0.184	C	C	.	.	S	Bend	trans	-149.7	165.3	-170.6	-156.3	-102	0	0	0	111.6	V444 E446 L739 L744 R768 M770	V444-Y741 HydrophobicContact CB-CD2 3.9Å; V444-Y741 HydrophobicContact CB-CG 4.45Å; V444-Y741 HydrophobicContact CG1-CD2 3.88Å; V444-Y741 HydrophobicContact CG1-CE2 4.2Å; V444-Y741 HydrophobicContact CG1-CG 4.34Å; V444-Y741 HydrophobicContact CG2-CD2 4.41Å; E446-Y741 PolarHBondContact OE2-OH 3.15Å; L739-Y741 PolarHBondContact O-N 3.36Å; Y741-L744 HydrophobicContact CD1-CD2 3.86Å; Y741-L744 HydrophobicContact CE1-CD2 3.92Å; Y741-R768 WeakPolarHBondContact OH-CD 3.16Å; Y741-R768 PolarHBondContact OH-NH1 3.02Å; Y741-M770 HydrophobicContact CD1-SD 3.86Å; Y741-M770 HydrophobicContact CD2-SD 4.46Å; Y741-M770 HydrophobicContact CE1-SD 3.5Å; Y741-M770 VanDerWaalsContact CE1-SD 3.5Å; Y741-M770 HydrophobicContact CE2-SD 4.15Å; Y741-M770 HydrophobicContact CG-SD 4.3Å
742	E	87.3	Confident	89.1	Confident	108 Å²	108	33.9 Å²	33.9	51%	0.505	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-60.5	155.6	175.3	-64.7	-179.5	163.9	0	0	111.6	L744 R768	E742-L744 PolarHBondContact O-N 2.89Å; E742-R768 IonicContact OE2-CZ 3.99Å; E742-R768 IonicContact OE2-NH1 3.19Å; E742-R768 IonicContact OE2-NH2 3.36Å; E742-R768 PolarHBondContact OE2-NH2 2.76Å
743	A	88.8	Confident	89.9	Confident	33 Å²	33	35.8 Å²	35.8	27%	0.273	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-60.2	124.7	177.6	0	0	0	0	0	110.5
744	L	93.2	Very high	90.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-89.4	157.6	176.4	-55	175.6	0	0	0	109.7	V720 S724 Y741 E742 A761 C763 M770	V720-L744 HydrophobicContact CG1-CB 3.9Å; V720-L744 WeakPolarHBondContact CG1-O 3.37Å; V720-L744 HydrophobicContact CG2-CB 4.31Å; S724-L744 WeakPolarHBondContact OG-CD1 3.28Å; S724-L744 WeakPolarHBondContact OG-CG 3.38Å; Y741-L744 HydrophobicContact CD1-CD2 3.86Å; Y741-L744 HydrophobicContact CE1-CD2 3.92Å; E742-L744 PolarHBondContact O-N 2.89Å; L744-A761 HydrophobicContact CD1-CB 3.85Å; L744-A761 HydrophobicContact CD2-CB 3.88Å; L744-A761 HydrophobicContact CG-CB 4.33Å; L744-C763 HydrophobicContact CD2-CB 4.26Å; L744-M770 HydrophobicContact CD1-CE 3.83Å; L744-M770 HydrophobicContact CD2-CE 4.32Å
745	E	92.6	Very high	90.4	Very high	43 Å²	43	37.5 Å²	37.5	20%	0.201	19%	0.193	C	C	.	.	S	Bend	trans	-102.5	-37	175.9	-70	-59.2	145.7	0	0	112.6	R702 K705 I762	R702-E745 IonicContact CZ-OE1 3.94Å; R702-E745 IonicContact CZ-OE2 2.7Å; R702-E745 IonicContact NH1-OE1 2.67Å; R702-E745 PolarHBondContact NH1-OE1 2.98Å; R702-E745 IonicContact NH2-OE1 3.79Å; R702-E745 PolarHBondContact NH2-OE1 2.62Å; R702-E745 IonicContact NH2-OE2 3.89Å; R702-E745 PolarHBondContact NH2-OE2 3.49Å; K705-E745 WeakPolarHBondContact CD-O 3.38Å; K705-E745 PolarHBondContact NZ-O 2.89Å; E745-I762 HydrophobicContact CB-CB 4.41Å; E745-I762 HydrophobicContact CB-CG2 3.91Å; E745-I762 HydrophobicContact CG-CG2 4.46Å; E745-I762 PolarHBondContact N-O 2.82Å
746	Y	94.4	Very high	90.4	Very high	46 Å²	46	38.6 Å²	38.6	18%	0.18	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	155.2	-179.8	-152.3	-85.8	0	0	0	109.3	N457 A458 V459 W460 F707 A761 I762	N457-Y746 WeakPolarHBondContact O-CD2 3.38Å; A458-Y746 HydrophobicContact CB-CD1 4.18Å; A458-Y746 HydrophobicContact CB-CD2 3.95Å; A458-Y746 HydrophobicContact CB-CE1 4.03Å; A458-Y746 HydrophobicContact CB-CE2 3.79Å; A458-Y746 HydrophobicContact CB-CG 4.14Å; V459-Y746 HydrophobicContact CG1-CD1 3.98Å; V459-Y746 VanDerWaalsContact N-CD1 3.33Å; V459-Y746 WeakPolarHBondContact O-CD1 3.23Å; V459-Y746 VanDerWaalsContact O-CE1 3.25Å; V459-Y746 WeakPolarHBondContact O-CE1 3.38Å; W460-Y746 PolarHBondContact NE1-OH 3.25Å; F707-Y746 HydrophobicContact CD1-CD1 4.45Å; F707-Y746 HydrophobicContact CD1-CE1 4.06Å; F707-Y746 AromaticContact CE1-CD1 3.77Å; F707-Y746 HydrophobicContact CE1-CD1 3.77Å; F707-Y746 AromaticContact CE1-CD2 3.77Å; F707-Y746 HydrophobicContact CE1-CD2 3.77Å; F707-Y746 AromaticContact CE1-CE1 3.5Å; F707-Y746 HydrophobicContact CE1-CE1 3.5Å; F707-Y746 AromaticContact CE1-CE2 3.51Å; F707-Y746 HydrophobicContact CE1-CE2 3.51Å; F707-Y746 AromaticContact CE1-CG 3.9Å; F707-Y746 HydrophobicContact CE1-CG 3.9Å; F707-Y746 AromaticContact CE1-CZ 3.37Å; F707-Y746 AromaticContact CZ-CD1 3.98Å; F707-Y746 HydrophobicContact CZ-CD1 3.98Å; F707-Y746 AromaticContact CZ-CD2 3.63Å; F707-Y746 HydrophobicContact CZ-CD2 3.63Å; F707-Y746 HydrophobicContact CZ-CE1 4.17Å; F707-Y746 AromaticContact CZ-CE2 3.84Å; F707-Y746 HydrophobicContact CZ-CE2 3.84Å; F707-Y746 AromaticContact CZ-CG 3.7Å; F707-Y746 HydrophobicContact CZ-CG 3.7Å; Y746-A761 CarbonylContact O-C 3.5Å; Y746-A761 WeakPolarHBondContact O-CA 3.12Å; Y746-I762 PolarHBondContact O-N 2.85Å
747	A	95.2	Very high	90.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	160.5	177.5	0	0	0	0	0	112.5	F707 L718 I759 V760 A761	F707-A747 VanDerWaalsContact CD1-O 3.25Å; F707-A747 WeakPolarHBondContact CD1-O 3.49Å; F707-A747 HydrophobicContact CD2-CB 3.97Å; F707-A747 HydrophobicContact CE2-CB 4.35Å; F707-A747 HydrophobicContact CG-CB 4.49Å; F707-A747 VanDerWaalsContact CG-O 3.26Å; F707-A747 WeakPolarHBondContact CG-O 3.42Å; L718-A747 HydrophobicContact CD2-CB 3.45Å; L718-A747 VanDerWaalsContact CD2-CB 3.45Å; A747-I759 HydrophobicContact CB-CG2 3.92Å; A747-V760 CarbonylContact C-O 3.51Å; A747-V760 VanDerWaalsContact CA-O 3.25Å; A747-V760 WeakPolarHBondContact CA-O 3.25Å; A747-A761 HydrophobicContact CB-CB 4.06Å
748	S	94.5	Very high	90.3	Very high	20 Å²	20	40.9 Å²	40.9	14%	0.14	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	154.2	174.2	-153.5	0	0	0	0	109.7	I759 V760	S748-I759 WeakPolarHBondContact O-CA 3.39Å; S748-V760 PolarHBondContact N-O 2.82Å; S748-V760 PolarHBondContact O-N 2.66Å
749	G	93.4	Very high	90.4	Very high	17 Å²	17	40.8 Å²	40.8	18%	0.175	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	154.3	171.3	0	0	0	0	0	110.5	T461	T461-G749 WeakPolarHBondContact CB-O 3.04Å; T461-G749 WeakPolarHBondContact CG2-O 3.2Å; T461-G749 PolarHBondContact OG1-O 3.33Å
750	F	93	Very high	90.5	Very high	15 Å²	15	40.6 Å²	40.6	7%	0.066	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	137.6	-179.5	174.8	-106.7	0	0	0	110	T461 D471 I474 I487 S752 C755 G758 V760 I769	T461-F750 HydrophobicContact CG2-CB 4.25Å; T461-F750 HydrophobicContact CG2-CD2 3.91Å; D471-F750 WeakPolarHBondContact OD2-CA 3.48Å; I474-F750 HydrophobicContact CD1-CD2 4.46Å; I474-F750 HydrophobicContact CD1-CE2 3.99Å; I474-F750 HydrophobicContact CG1-CE2 4.41Å; I487-F750 HydrophobicContact CD1-CD2 4.22Å; I487-F750 HydrophobicContact CD1-CE2 3.53Å; I487-F750 HydrophobicContact CD1-CZ 4.48Å; I487-F750 HydrophobicContact CG1-CE2 4.06Å; I487-F750 HydrophobicContact CG2-CE2 4.42Å; I487-F750 HydrophobicContact CG2-CZ 4.37Å; F750-S752 VanDerWaalsContact CE1-OG 3.26Å; F750-S752 WeakPolarHBondContact CE1-OG 3.45Å; F750-C755 HydrophobicContact CD1-CB 4.46Å; F750-C755 HydrophobicContact CE1-CB 4.26Å; F750-G758 PolarHBondContact N-O 2.97Å; F750-G758 CarbonylContact O-C 3.55Å; F750-G758 WeakPolarHBondContact O-CA 3.33Å; F750-G758 PolarHBondContact O-N 3.32Å; F750-V760 HydrophobicContact CB-CB 4.32Å; F750-V760 HydrophobicContact CB-CG2 3.51Å; F750-V760 HydrophobicContact CD1-CG2 4.24Å; F750-V760 HydrophobicContact CD2-CG2 3.42Å; F750-V760 VanDerWaalsContact CD2-CG2 3.42Å; F750-V760 HydrophobicContact CE2-CG2 4.12Å; F750-V760 HydrophobicContact CG-CG2 3.46Å; F750-V760 VanDerWaalsContact CG-CG2 3.46Å; F750-I769 HydrophobicContact CD1-CG2 3.64Å; F750-I769 HydrophobicContact CE1-CD1 4.27Å; F750-I769 HydrophobicContact CE1-CG2 3.57Å; F750-I769 HydrophobicContact CG-CG2 4.48Å; F750-I769 HydrophobicContact CZ-CD1 4.06Å; F750-I769 HydrophobicContact CZ-CG2 4.37Å
751	S	92.1	Very high	90.9	Very high	22 Å²	22	39 Å²	39	15%	0.154	20%	0.202	C	C	.	.			trans	-135.7	128.7	176	-168.9	0	0	0	0	110.2	D471 P756	D471-S751 PolarHBondContact N-O 2.9Å; D471-S751 PolarHBondContact OD2-N 2.91Å; S751-P756 VanDerWaalsContact CB-O 3.32Å; S751-P756 WeakPolarHBondContact CB-O 3.45Å; S751-P756 PolarHBondContact OG-O 3.43Å
752	S	90.7	Very high	91.2	Very high	7 Å²	7	36.8 Å²	36.8	5%	0.049	19%	0.194	C	C	.	.			trans	-149.2	166.1	176.2	63.1	0	0	0	0	109.6	F750 Q754 C755 P756	F750-S752 VanDerWaalsContact CE1-OG 3.26Å; F750-S752 WeakPolarHBondContact CE1-OG 3.45Å; S752-Q754 PolarHBondContact O-N 3.26Å; S752-C755 PolarHBondContact N-O 3.4Å; S752-C755 CarbonylContact O-C 3.56Å; S752-C755 PolarHBondContact O-N 3.42Å; S752-C755 VanDerWaalsContact O-N 3.13Å; S752-C755 VanDerWaalsContact O-O 3.08Å; S752-C755 PolarHBondContact OG-N 3.05Å; S752-C755 VanDerWaalsContact OG-N 3.13Å; S752-C755 PolarHBondContact OG-O 3.48Å; S752-P756 WeakPolarHBondContact O-CA 3.39Å; S752-P756 VanDerWaalsContact O-N 3.15Å
753	E	86.8	Confident	91.4	Very high	162 Å²	162	31.7 Å²	31.7	76%	0.757	17%	0.17	S	C	*	.	S	Bend	trans	-57.2	-35.6	175.5	-172	178.8	176	0	0	112.5	Y470	Y470-E753 HydrophobicContact CD2-CB 4.47Å; Y470-E753 HydrophobicContact CE2-CB 4.07Å
754	Q	83.5	Confident	91.4	Very high	139 Å²	139	35 Å²	35	65%	0.65	18%	0.183	S	C	*	.	S	Bend	trans	-78.7	-26.9	179.8	-64.1	159.5	2.7	0	0	113	S752	S752-Q754 PolarHBondContact O-N 3.26Å
755	C	85	Confident	91.3	Very high	7 Å²	7	38.3 Å²	38.3	5%	0.047	20%	0.201	C	C	.	.			trans	-143.5	86.2	-177.6	-178.1	0	0	0	0	108.2	F750 S752 E757 G758	F750-C755 HydrophobicContact CD1-CB 4.46Å; F750-C755 HydrophobicContact CE1-CB 4.26Å; S752-C755 PolarHBondContact N-O 3.4Å; S752-C755 CarbonylContact O-C 3.56Å; S752-C755 PolarHBondContact O-N 3.42Å; S752-C755 VanDerWaalsContact O-N 3.13Å; S752-C755 VanDerWaalsContact O-O 3.08Å; S752-C755 PolarHBondContact OG-N 3.05Å; S752-C755 VanDerWaalsContact OG-N 3.13Å; S752-C755 PolarHBondContact OG-O 3.48Å; C755-E757 VanDerWaalsContact C-N 3.29Å; C755-E757 PolarHBondContact O-N 3.27Å; C755-G758 WeakPolarHBondContact SG-CA 3.4Å
756	P	85.5	Confident	91.3	Very high	76 Å²	76	36.6 Å²	36.6	49%	0.494	19%	0.193	S	C	.	.	S	Bend	trans	-59.8	-38.9	-174.3	-27.2	35.5	0	0	0	113	S751 S752	S751-P756 VanDerWaalsContact CB-O 3.32Å; S751-P756 WeakPolarHBondContact CB-O 3.45Å; S751-P756 PolarHBondContact OG-O 3.43Å; S752-P756 WeakPolarHBondContact O-CA 3.39Å; S752-P756 VanDerWaalsContact O-N 3.15Å
757	E	87.8	Confident	91.3	Very high	74 Å²	74	34.7 Å²	34.7	35%	0.346	19%	0.186	S	C	.	.	S	Bend	trans	-129.1	103.7	173.9	-66.8	-171.4	158.1	0	0	109.9	Q712 G713 C755	Q712-E757 WeakPolarHBondContact CA-OE2 3.31Å; Q712-E757 PolarHBondContact N-OE1 3.38Å; Q712-E757 PolarHBondContact N-OE2 3.36Å; G713-E757 PolarHBondContact N-OE1 2.65Å; C755-E757 VanDerWaalsContact C-N 3.29Å; C755-E757 PolarHBondContact O-N 3.27Å
758	G	91.3	Very high	91.2	Very high	2 Å²	2	35.6 Å²	35.6	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	-178.9	-179.7	0	0	0	0	0	113.6	F750 C755 M770	F750-G758 PolarHBondContact N-O 2.97Å; F750-G758 CarbonylContact O-C 3.55Å; F750-G758 WeakPolarHBondContact O-CA 3.33Å; F750-G758 PolarHBondContact O-N 3.32Å; C755-G758 WeakPolarHBondContact SG-CA 3.4Å; G758-M770 CarbonylContact C-O 3.45Å; G758-M770 VanDerWaalsContact CA-O 3.29Å; G758-M770 WeakPolarHBondContact CA-O 3.44Å
759	I	94.8	Very high	91.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	125.4	176.9	-57.7	166.1	0	0	0	107.7	I709 M711 L718 A747 S748 A761 M770 L772	I709-I759 HydrophobicContact CD1-CD1 3.84Å; I709-I759 HydrophobicContact CD1-CG1 4.07Å; M711-I759 HydrophobicContact CE-CD1 3.79Å; M711-I759 HydrophobicContact CE-CG1 3.82Å; L718-I759 HydrophobicContact CD2-CD1 4.27Å; L718-I759 HydrophobicContact CD2-CG2 3.95Å; A747-I759 HydrophobicContact CB-CG2 3.92Å; S748-I759 WeakPolarHBondContact O-CA 3.39Å; I759-A761 HydrophobicContact CG2-CB 4.42Å; I759-M770 HydrophobicContact CB-CE 4.33Å; I759-M770 HydrophobicContact CG2-CE 4.1Å; I759-M770 PolarHBondContact N-O 2.84Å; I759-M770 PolarHBondContact O-N 3.3Å; I759-L772 HydrophobicContact CD1-CD1 3.88Å; I759-L772 HydrophobicContact CD1-CG 4.18Å
760	V	95.3	Very high	91.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.7	165	171	0	0	0	0	107.7	V459 T461 I474 A747 S748 F750 L767 R768 I769	V459-V760 HydrophobicContact CG1-CG1 4.34Å; V459-V760 HydrophobicContact CG2-CG1 3.59Å; T461-V760 HydrophobicContact CG2-CB 4.14Å; T461-V760 HydrophobicContact CG2-CG2 3.96Å; I474-V760 HydrophobicContact CD1-CG2 4.09Å; I474-V760 HydrophobicContact CG2-CG1 4.1Å; A747-V760 CarbonylContact C-O 3.51Å; A747-V760 VanDerWaalsContact CA-O 3.25Å; A747-V760 WeakPolarHBondContact CA-O 3.25Å; S748-V760 PolarHBondContact N-O 2.82Å; S748-V760 PolarHBondContact O-N 2.66Å; F750-V760 HydrophobicContact CB-CB 4.32Å; F750-V760 HydrophobicContact CB-CG2 3.51Å; F750-V760 HydrophobicContact CD1-CG2 4.24Å; F750-V760 HydrophobicContact CD2-CG2 3.42Å; F750-V760 VanDerWaalsContact CD2-CG2 3.42Å; F750-V760 HydrophobicContact CE2-CG2 4.12Å; F750-V760 HydrophobicContact CG-CG2 3.46Å; F750-V760 VanDerWaalsContact CG-CG2 3.46Å; V760-L767 HydrophobicContact CG1-CD1 3.57Å; V760-L767 HydrophobicContact CG1-CG 4.34Å; V760-R768 CarbonylContact C-O 3.49Å; V760-R768 WeakPolarHBondContact CA-O 3.48Å; V760-I769 HydrophobicContact CG2-CG1 4.11Å
761	A	95.6	Very high	91.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	154.2	-178.3	0	0	0	0	0	112.7	L744 Y746 A747 I759 R768 M770	L744-A761 HydrophobicContact CD1-CB 3.85Å; L744-A761 HydrophobicContact CD2-CB 3.88Å; L744-A761 HydrophobicContact CG-CB 4.33Å; Y746-A761 CarbonylContact O-C 3.5Å; Y746-A761 WeakPolarHBondContact O-CA 3.12Å; A747-A761 HydrophobicContact CB-CB 4.06Å; I759-A761 HydrophobicContact CG2-CB 4.42Å; A761-R768 PolarHBondContact N-O 2.62Å; A761-R768 PolarHBondContact O-N 2.87Å; A761-M770 HydrophobicContact CB-CE 3.47Å; A761-M770 VanDerWaalsContact CB-CE 3.47Å
762	I	94.1	Very high	90.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130	170.2	-70.3	163.8	0	0	0	108.1	P456 A458 V459 E745 Y746 S766 L767	P456-I762 HydrophobicContact CB-CD1 3.66Å; P456-I762 HydrophobicContact CB-CG1 4.33Å; P456-I762 HydrophobicContact CG-CB 4.19Å; P456-I762 HydrophobicContact CG-CD1 3.56Å; P456-I762 HydrophobicContact CG-CG1 3.72Å; P456-I762 HydrophobicContact CG-CG2 3.39Å; A458-I762 VanDerWaalsContact C-CD1 3.45Å; V459-I762 HydrophobicContact CB-CD1 3.68Å; V459-I762 HydrophobicContact CB-CG1 4.05Å; V459-I762 HydrophobicContact CG1-CD1 3.81Å; V459-I762 HydrophobicContact CG1-CG1 3.88Å; E745-I762 HydrophobicContact CB-CB 4.41Å; E745-I762 HydrophobicContact CB-CG2 3.91Å; E745-I762 HydrophobicContact CG-CG2 4.46Å; E745-I762 PolarHBondContact N-O 2.82Å; Y746-I762 PolarHBondContact O-N 2.85Å; I762-S766 WeakPolarHBondContact CA-O 3.32Å; I762-L767 HydrophobicContact CG1-CD1 4.48Å
763	C	91.7	Very high	90.4	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	110.4	168.3	-177.8	0	0	0	0	108.8	L744 N765 S766	L744-C763 HydrophobicContact CD2-CB 4.26Å; C763-N765 PolarHBondContact O-N 3.25Å; C763-S766 PolarHBondContact N-O 3.27Å; C763-S766 PolarHBondContact O-N 3.35Å; C763-S766 PolarHBondContact O-OG 3.49Å
764	N	88.3	Confident	89.9	Confident	103 Å²	103	35.3 Å²	35.3	55%	0.551	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	-107.9	-172.9	-62.5	-46.3	0	0	0	112	P456	P456-N764 WeakPolarHBondContact CD-O 3.5Å
765	N	91	Very high	89.8	Confident	68 Å²	68	29.6 Å²	29.6	36%	0.364	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	18.8	-177.7	-61.2	18.2	0	0	0	111.8	L452 N455 C763	L452-N765 WeakPolarHBondContact CB-O 3.43Å; L452-N765 PolarHBondContact N-O 2.8Å; N455-N765 PolarHBondContact OD1-ND2 3.16Å; N455-N765 PolarHBondContact OD1-OD1 2.98Å; C763-N765 PolarHBondContact O-N 3.25Å
766	S	93.2	Very high	89.4	Confident	7 Å²	7	30.6 Å²	30.6	5%	0.049	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.5	-179.3	64.3	0	0	0	0	111.2	S450 I762 C763 R768	S450-S766 CarbonylContact O-C 3.57Å; S450-S766 WeakPolarHBondContact O-CA 3.36Å; I762-S766 WeakPolarHBondContact CA-O 3.32Å; C763-S766 PolarHBondContact N-O 3.27Å; C763-S766 PolarHBondContact O-N 3.35Å; C763-S766 PolarHBondContact O-OG 3.49Å; S766-R768 PolarHBondContact OG-NE 2.9Å
767	L	93.6	Very high	89.2	Confident	6 Å²	6	28.7 Å²	28.7	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.3	165	-173.9	69.9	0	0	0	108.4	K449 S450 L452 V459 I474 V476 L485 V760 I762	K449-L767 WeakPolarHBondContact CA-O 3.48Å; S450-L767 PolarHBondContact N-O 2.82Å; S450-L767 PolarHBondContact O-N 3.12Å; L452-L767 HydrophobicContact CD1-CB 3.93Å; L452-L767 HydrophobicContact CD2-CB 4.35Å; L452-L767 HydrophobicContact CG-CB 4.09Å; V459-L767 HydrophobicContact CG2-CD1 4.01Å; I474-L767 HydrophobicContact CG2-CD2 4.41Å; V476-L767 HydrophobicContact CG2-CD1 4.26Å; V476-L767 HydrophobicContact CG2-CD2 4.46Å; L485-L767 HydrophobicContact CD1-CD2 3.84Å; V760-L767 HydrophobicContact CG1-CD1 3.57Å; V760-L767 HydrophobicContact CG1-CG 4.34Å; I762-L767 HydrophobicContact CG1-CD1 4.48Å
768	R	94	Very high	89.1	Confident	21 Å²	21	26.9 Å²	26.9	8%	0.079	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	137.1	-179.2	-53	-159.8	-174.6	-160.5	21.6	110.5	E446 A448 Y741 E742 V760 A761 S766 M770	E446-R768 IonicContact OE2-CZ 2.65Å; E446-R768 IonicContact OE2-NH1 3.48Å; E446-R768 PolarHBondContact OE2-NH1 3.23Å; A448-R768 CarbonylContact O-C 3.57Å; A448-R768 WeakPolarHBondContact O-CA 3.4Å; Y741-R768 WeakPolarHBondContact OH-CD 3.16Å; Y741-R768 PolarHBondContact OH-NH1 3.02Å; E742-R768 IonicContact OE2-CZ 3.99Å; E742-R768 IonicContact OE2-NH1 3.19Å; E742-R768 IonicContact OE2-NH2 3.36Å; E742-R768 PolarHBondContact OE2-NH2 2.76Å; V760-R768 CarbonylContact C-O 3.49Å; V760-R768 WeakPolarHBondContact CA-O 3.48Å; A761-R768 PolarHBondContact N-O 2.62Å; A761-R768 PolarHBondContact O-N 2.87Å; S766-R768 PolarHBondContact OG-NE 2.9Å; R768-M770 HydrophobicContact CB-CG 4.42Å
769	I	93.4	Very high	89.1	Confident	18 Å²	18	27.5 Å²	27.5	9%	0.092	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.8	172.3	-53	-173.7	0	0	0	106.7	M447 A448 I474 F750 V760	M447-I769 HydrophobicContact CB-CB 4.36Å; M447-I769 HydrophobicContact CB-CG2 4.17Å; M447-I769 PolarHBondContact N-O 2.87Å; A448-I769 HydrophobicContact CB-CB 4.15Å; A448-I769 HydrophobicContact CB-CD1 4.15Å; A448-I769 HydrophobicContact CB-CG1 4.17Å; A448-I769 PolarHBondContact N-O 2.81Å; A448-I769 PolarHBondContact O-N 3.08Å; I474-I769 HydrophobicContact CD1-CD1 4.42Å; F750-I769 HydrophobicContact CD1-CG2 3.64Å; F750-I769 HydrophobicContact CE1-CD1 4.27Å; F750-I769 HydrophobicContact CE1-CG2 3.57Å; F750-I769 HydrophobicContact CG-CG2 4.48Å; F750-I769 HydrophobicContact CZ-CD1 4.06Å; F750-I769 HydrophobicContact CZ-CG2 4.37Å; V760-I769 HydrophobicContact CG2-CG1 4.11Å
770	M	93.3	Very high	88.9	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.3	-172.4	-58.8	175.1	-56.2	0	0	110.7	V444 S445 Y741 L744 G758 I759 A761 R768	V444-M770 HydrophobicContact CG1-CB 3.71Å; V444-M770 HydrophobicContact CG1-CG 3.9Å; V444-M770 HydrophobicContact CG1-SD 3.7Å; S445-M770 CarbonylContact O-C 3.59Å; S445-M770 VanDerWaalsContact O-CA 3.23Å; S445-M770 WeakPolarHBondContact O-CA 2.96Å; Y741-M770 HydrophobicContact CD1-SD 3.86Å; Y741-M770 HydrophobicContact CD2-SD 4.46Å; Y741-M770 HydrophobicContact CE1-SD 3.5Å; Y741-M770 VanDerWaalsContact CE1-SD 3.5Å; Y741-M770 HydrophobicContact CE2-SD 4.15Å; Y741-M770 HydrophobicContact CG-SD 4.3Å; L744-M770 HydrophobicContact CD1-CE 3.83Å; L744-M770 HydrophobicContact CD2-CE 4.32Å; G758-M770 CarbonylContact C-O 3.45Å; G758-M770 VanDerWaalsContact CA-O 3.29Å; G758-M770 WeakPolarHBondContact CA-O 3.44Å; I759-M770 HydrophobicContact CB-CE 4.33Å; I759-M770 HydrophobicContact CG2-CE 4.1Å; I759-M770 PolarHBondContact N-O 2.84Å; I759-M770 PolarHBondContact O-N 3.3Å; A761-M770 HydrophobicContact CB-CE 3.47Å; A761-M770 VanDerWaalsContact CB-CE 3.47Å; R768-M770 HydrophobicContact CB-CG 4.42Å
771	A	91.6	Very high	88.7	Confident	10 Å²	10	29.4 Å²	29.4	8%	0.083	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.9	172.8	0	0	0	0	0	110.5	S445 M447	S445-A771 PolarHBondContact N-O 2.89Å; S445-A771 PolarHBondContact O-N 3.32Å; M447-A771 HydrophobicContact CG-CB 4.21Å; M447-A771 HydrophobicContact SD-CB 4.45Å
772	L	89	Confident	88.5	Confident	13 Å²	13	32.4 Å²	32.4	7%	0.068	18%	0.177	C	C	.	.			trans	-114.1	89	176.5	-58.1	-176.7	0	0	0	108.8	L442 V444 M711 L726 L739 I759	L442-L772 HydrophobicContact CD1-CD1 4.48Å; V444-L772 HydrophobicContact CB-CD2 4.3Å; V444-L772 HydrophobicContact CG1-CD2 4.28Å; V444-L772 HydrophobicContact CG2-CD2 3.77Å; M711-L772 HydrophobicContact CE-CB 4.39Å; M711-L772 HydrophobicContact CE-CD1 3.75Å; M711-L772 HydrophobicContact CE-CG 4.14Å; M711-L772 HydrophobicContact SD-CB 4.29Å; M711-L772 HydrophobicContact SD-CD1 4.15Å; L726-L772 HydrophobicContact CD2-CD1 3.63Å; L739-L772 HydrophobicContact CD2-CD1 3.92Å; L739-L772 HydrophobicContact CD2-CD2 3.9Å; I759-L772 HydrophobicContact CD1-CD1 3.88Å; I759-L772 HydrophobicContact CD1-CG 4.18Å
773	E	79.2	Confident	88.5	Confident	120 Å²	120	34.9 Å²	34.9	56%	0.561	19%	0.194	S	C	*	.			trans	-74.1	-42.4	-171.9	-67	173.8	-149.8	0	0	113.2	S445	S445-E773 WeakPolarHBondContact CB-OE1 3.21Å; S445-E773 PolarHBondContact OG-OE1 2.88Å
774	K	76.1	Confident	88.6	Confident	74 Å²	74	37 Å²	37	32%	0.322	20%	0.202	S	C	.	.			trans	-105.2	98.8	-175.4	-67.7	177.8	-171.5	157.4	0	111.2	E402 E443	E402-K774 IonicContact OE1-NZ 3.4Å; E402-K774 PolarHBondContact OE1-NZ 2.83Å; E402-K774 IonicContact OE2-NZ 2.69Å; E402-K774 PolarHBondContact OE2-NZ 2.9Å; E443-K774 IonicContact OE2-NZ 3.88Å; E443-K774 PolarHBondContact OE2-NZ 3.23Å
775	L	81.1	Confident	89	Confident	20 Å²	20	37.1 Å²	37.1	11%	0.105	21%	0.208	C	C	.	.			trans	-89.5	151.3	170.8	-72.3	154.3	0	0	0	111.1	L442 Q712 L726 Y728 A777	L442-L775 HydrophobicContact CD1-CD2 4.33Å; Q712-L775 HydrophobicContact CB-CD1 4.43Å; Q712-L775 HydrophobicContact CG-CD1 3.46Å; Q712-L775 VanDerWaalsContact CG-CD1 3.46Å; L726-L775 HydrophobicContact CD2-CD2 4.11Å; Y728-L775 HydrophobicContact CD2-CD2 3.86Å; Y728-L775 HydrophobicContact CE1-CD2 4.31Å; Y728-L775 HydrophobicContact CE2-CB 4.18Å; Y728-L775 HydrophobicContact CE2-CD2 3.59Å; Y728-L775 HydrophobicContact CE2-CG 4.47Å; Y728-L775 HydrophobicContact CG-CD2 4.33Å; L775-A777 VanDerWaalsContact C-N 3.29Å; L775-A777 PolarHBondContact O-N 3.12Å
776	G	76.8	Confident	89.2	Confident	27 Å²	27	34.4 Å²	34.4	28%	0.278	19%	0.194	S	C	.	.	S	Bend	trans	86.2	-7.8	176.7	0	0	0	0	0	114.8	Y728	Y728-G776 WeakPolarHBondContact OH-CA 3.35Å; Y728-G776 PolarHBondContact OH-N 2.86Å
777	A	81	Confident	89.3	Confident	36 Å²	36	35.6 Å²	35.6	30%	0.298	20%	0.199	S	C	.	.			trans	-75.2	138.9	167.6	0	0	0	0	0	110.7	L442 L775	L442-A777 WeakPolarHBondContact CD2-O 3.27Å; L775-A777 VanDerWaalsContact C-N 3.29Å; L775-A777 PolarHBondContact O-N 3.12Å
778	V	87.3	Confident	89.4	Confident	37 Å²	37	35.7 Å²	35.7	22%	0.224	20%	0.199	C	C	.	.	S	Bend	trans	-89.7	-38.1	175.3	177.7	0	0	0	0	110.8	H440 G441 F1226	H440-V778 PolarHBondContact CD2-O 2.86Å; G441-V778 PolarHBondContact N-O 2.86Å; G441-V778 VanDerWaalsContact N-O 3.11Å; V778-F1226 HydrophobicContact CG1-CB 4.4Å; V778-F1226 HydrophobicContact CG1-CD2 3.65Å; V778-F1226 HydrophobicContact CG1-CE2 4.42Å; V778-F1226 HydrophobicContact CG1-CG 4.33Å
779	F	91.4	Very high	89.6	Confident	15 Å²	15	35 Å²	35	7%	0.066	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.7	179.9	-64.9	-80	0	0	0	110.4	L8 Q9 L423 L438 R439 I1135 F1226	L8-F779 HydrophobicContact CB-CE2 4.31Å; Q9-F779 HydrophobicContact CB-CD2 4.06Å; Q9-F779 HydrophobicContact CB-CE2 3.92Å; L423-F779 HydrophobicContact CD1-CE1 3.88Å; L423-F779 HydrophobicContact CD1-CZ 4.45Å; L423-F779 HydrophobicContact CD2-CE1 4.36Å; L423-F779 HydrophobicContact CD2-CZ 4.2Å; L438-F779 HydrophobicContact CB-CB 4.23Å; L438-F779 HydrophobicContact CB-CD1 3.96Å; L438-F779 HydrophobicContact CB-CG 4.26Å; R439-F779 CarbonylContact O-C 3.32Å; R439-F779 VanDerWaalsContact O-CA 3.23Å; R439-F779 WeakPolarHBondContact O-CA 3.15Å; F779-I1135 HydrophobicContact CE2-CD1 4.34Å; F779-F1226 HydrophobicContact CE1-CD2 4.49Å; F779-F1226 AromaticContact CE1-CE2 3.5Å; F779-F1226 HydrophobicContact CE1-CE2 3.5Å; F779-F1226 VanDerWaalsContact CE1-CE2 3.5Å; F779-F1226 AromaticContact CE1-CZ 3.84Å; F779-F1226 HydrophobicContact CE1-CZ 3.84Å; F779-F1226 HydrophobicContact CE2-CE2 4.2Å; F779-F1226 HydrophobicContact CZ-CD2 4.25Å; F779-F1226 AromaticContact CZ-CE2 3.35Å; F779-F1226 HydrophobicContact CZ-CE2 3.35Å; F779-F1226 HydrophobicContact CZ-CZ 4.07Å
780	N	90.3	Very high	89.8	Confident	20 Å²	20	34.1 Å²	34.1	11%	0.107	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	155.7	154.9	76.8	-6.9	0	0	0	108.7	L438 R439 G441 E443 S740	L438-N780 VanDerWaalsContact CA-O 3.31Å; L438-N780 WeakPolarHBondContact CA-O 3.31Å; R439-N780 WeakPolarHBondContact CA-OD1 3.41Å; R439-N780 WeakPolarHBondContact CB-OD1 3.27Å; R439-N780 PolarHBondContact N-O 2.9Å; R439-N780 PolarHBondContact N-OD1 3.05Å; R439-N780 VanDerWaalsContact N-OD1 3.07Å; R439-N780 PolarHBondContact O-N 2.85Å; R439-N780 PolarHBondContact O-OD1 3.16Å; R439-N780 VanDerWaalsContact O-OD1 3.12Å; G441-N780 WeakPolarHBondContact O-CB 3.22Å; G441-N780 PolarHBondContact O-N 2.97Å; E443-N780 HydrophobicContact CB-CB 4.39Å; S740-N780 WeakPolarHBondContact CB-ND2 3.46Å; S740-N780 PolarHBondContact OG-ND2 2.99Å
781	Q	90.5	Very high	89.9	Confident	20 Å²	20	37.3 Å²	37.3	9%	0.093	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	131	178.8	51.2	157.1	47.3	0	0	111.1	E402 L438	E402-Q781 VanDerWaalsContact CB-NE2 3.28Å; E402-Q781 VanDerWaalsContact CD-CD 3.45Å; E402-Q781 PolarHBondContact OE1-NE2 3.13Å; E402-Q781 WeakPolarHBondContact OE2-CG 3.43Å; E402-Q781 PolarHBondContact OE2-NE2 3.23Å; L438-Q781 HydrophobicContact CD2-CB 3.5Å
782	I	91.6	Very high	90.1	Very high	62 Å²	62	40.7 Å²	40.7	32%	0.318	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.3	167.4	-56.4	179.8	0	0	0	106.8	R436 L437 R439 Y784	R436-I782 CarbonylContact C-O 3.57Å; R436-I782 VanDerWaalsContact CA-O 3.25Å; R436-I782 WeakPolarHBondContact CA-O 3.45Å; L437-I782 PolarHBondContact N-O 2.83Å; L437-I782 PolarHBondContact O-N 2.8Å; R439-I782 VanDerWaalsContact NH1-CD1 3.28Å; I782-Y784 HydrophobicContact CG2-CE1 4.06Å; I782-Y784 HydrophobicContact CG2-CE2 3.81Å
783	S	93.3	Very high	90.4	Very high	52 Å²	52	41 Å²	41	36%	0.364	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.2	-177.3	74.1	0	0	0	0	111.8	F435	F435-S783 CarbonylContact O-C 3.53Å; F435-S783 WeakPolarHBondContact O-CA 3.23Å
784	Y	95.4	Very high	91.1	Very high	46 Å²	46	36.6 Å²	36.6	18%	0.18	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.3	176.5	-59.4	-67.4	0	0	0	109.6	T434 F435 I782 F877 P879 L880	T434-Y784 CarbonylContact C-O 3.59Å; T434-Y784 WeakPolarHBondContact CA-O 3.45Å; F435-Y784 HydrophobicContact CD1-CD2 4.06Å; F435-Y784 PolarHBondContact N-O 3.1Å; F435-Y784 PolarHBondContact O-N 3.44Å; I782-Y784 HydrophobicContact CG2-CE1 4.06Å; I782-Y784 HydrophobicContact CG2-CE2 3.81Å; Y784-F877 HydrophobicContact CD2-CE1 4.22Å; Y784-F877 AromaticContact CD2-CZ 3.56Å; Y784-F877 HydrophobicContact CD2-CZ 3.56Å; Y784-F877 HydrophobicContact CE2-CZ 4.28Å; Y784-F877 HydrophobicContact CG-CE2 4.45Å; Y784-F877 AromaticContact CG-CZ 3.78Å; Y784-F877 HydrophobicContact CG-CZ 3.78Å; Y784-P879 WeakPolarHBondContact CE2-O 3.49Å; Y784-L880 PolarHBondContact OH-O 2.92Å
785	P	95.8	Very high	91.7	Very high	106 Å²	106	34.4 Å²	34.4	69%	0.688	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	144.2	-176.1	27.3	-34.2	0	0	0	112.6
786	L	95.7	Very high	92.2	Very high	11 Å²	11	34 Å²	34	6%	0.058	19%	0.187	C	C	.	.			trans	-117.9	170.4	173.9	-58.9	177.8	0	0	0	109.4	L426 S433 F435 P790 I804	L426-L786 HydrophobicContact CD2-CD1 4.19Å; S433-L786 PolarHBondContact O-N 2.95Å; F435-L786 HydrophobicContact CB-CD1 4.33Å; F435-L786 HydrophobicContact CB-CD2 4.44Å; L786-P790 HydrophobicContact CD1-CB 3.79Å; L786-P790 HydrophobicContact CD1-CG 3.83Å; L786-I804 HydrophobicContact CD2-CD1 4.4Å
787	Q	94.8	Very high	92.3	Very high	33 Å²	33	36.7 Å²	36.7	15%	0.154	20%	0.2	C	C	.	.	S	Bend	trans	-97.6	-42.1	-174.1	-174.5	173	-0.8	0	0	112.6	P431 E806 D814 L873 R889	P431-Q787 WeakPolarHBondContact CA-O 3.27Å; Q787-E806 WeakPolarHBondContact CA-OE2 3.4Å; Q787-E806 PolarHBondContact N-OE2 3.46Å; Q787-D814 PolarHBondContact NE2-OD1 3.24Å; Q787-D814 PolarHBondContact NE2-OD2 3.46Å; Q787-L873 HydrophobicContact CB-CD2 4.18Å; Q787-R889 VanDerWaalsContact OE1-NH2 3.16Å
788	Y	96.8	Very high	92.5	Very high	8 Å²	8	40.5 Å²	40.5	3%	0.031	22%	0.215	C	C	.	.	S	Bend	trans	-126.1	172.1	177.7	-54.7	-67.2	0	0	0	110.7	G430 S433 P790 E806 D808 Y812 A871 L873	G430-Y788 CarbonylContact O-C 3.59Å; S433-Y788 WeakPolarHBondContact CB-O 3.12Å; S433-Y788 PolarHBondContact OG-O 3Å; Y788-P790 WeakPolarHBondContact O-CD 3.48Å; Y788-P790 VanDerWaalsContact O-N 3.12Å; Y788-E806 HydrophobicContact CD2-CB 4.49Å; Y788-E806 PolarHBondContact N-OE2 2.9Å; Y788-D808 VanDerWaalsContact CA-OD2 3.25Å; Y788-D808 WeakPolarHBondContact CA-OD2 3.19Å; Y788-D808 VanDerWaalsContact CB-OD2 3.29Å; Y788-D808 WeakPolarHBondContact CB-OD2 3.43Å; Y788-D808 HydrophobicContact CD1-CB 4.19Å; Y788-Y812 PolarHBondContact OH-O 2.75Å; Y788-A871 HydrophobicContact CD1-CB 4.29Å; Y788-A871 HydrophobicContact CE1-CB 3.66Å; Y788-A871 HydrophobicContact CE2-CB 4.03Å; Y788-L873 HydrophobicContact CD2-CD2 3.89Å; Y788-L873 HydrophobicContact CD2-CG 4.11Å; Y788-L873 HydrophobicContact CE2-CD2 3.91Å; Y788-L873 HydrophobicContact CE2-CG 4.42Å
789	T	97.8	Very high	92.3	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.031	22%	0.215	C	C	.	.			trans	-59	115.7	177.4	-55.6	0	0	0	0	110.8	M408 G430 S433 R791 T807 D808	M408-T789 HydrophobicContact CE-CG2 4.17Å; M408-T789 HydrophobicContact CG-CG2 4.21Å; M408-T789 HydrophobicContact SD-CG2 4.36Å; G430-T789 PolarHBondContact N-OG1 2.99Å; S433-T789 WeakPolarHBondContact OG-CA 3.23Å; T789-R791 PolarHBondContact O-N 3.06Å; T789-T807 PolarHBondContact O-N 2.71Å; T789-D808 WeakPolarHBondContact CB-OD1 3.39Å; T789-D808 PolarHBondContact N-OD2 3.19Å; T789-D808 VanDerWaalsContact OG1-CG 3.29Å; T789-D808 PolarHBondContact OG1-OD1 2.91Å; T789-D808 PolarHBondContact OG1-OD2 2.76Å
790	P	97.3	Very high	91.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	128.6	-179.2	30.9	-37.9	0	0	0	110.6	M408 L426 S433 L786 Y788 I804	M408-P790 WeakPolarHBondContact CB-O 3.22Å; M408-P790 WeakPolarHBondContact CG-O 3.32Å; L426-P790 HydrophobicContact CB-CB 3.88Å; L426-P790 HydrophobicContact CB-CG 3.72Å; L426-P790 HydrophobicContact CD1-CB 3.92Å; L426-P790 HydrophobicContact CD2-CB 3.94Å; L426-P790 HydrophobicContact CD2-CG 4.35Å; L426-P790 HydrophobicContact CG-CB 4.12Å; L426-P790 HydrophobicContact CG-CG 4.45Å; S433-P790 VanDerWaalsContact CB-CD 3.45Å; S433-P790 WeakPolarHBondContact OG-CD 3.46Å; L786-P790 HydrophobicContact CD1-CB 3.79Å; L786-P790 HydrophobicContact CD1-CG 3.83Å; Y788-P790 WeakPolarHBondContact O-CD 3.48Å; Y788-P790 VanDerWaalsContact O-N 3.12Å; P790-I804 HydrophobicContact CB-CG2 4.09Å
791	R	95.5	Very high	91.9	Very high	68 Å²	68	41.4 Å²	41.4	26%	0.257	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-52	-175	-57.3	-57.1	-179.8	172.9	-5.7	112.9	T789 I805 T807 D808	T789-R791 PolarHBondContact O-N 3.06Å; R791-I805 HydrophobicContact CB-CD1 4.14Å; R791-I805 HydrophobicContact CB-CG1 4.18Å; R791-I805 PolarHBondContact N-O 2.78Å; R791-T807 PolarHBondContact NE-O 3Å; R791-T807 PolarHBondContact NH2-O 3.21Å; R791-D808 IonicContact NH2-OD1 2.76Å
792	K	94.7	Very high	92	Very high	81 Å²	81	40.4 Å²	40.4	35%	0.352	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	161.2	-179.5	-69.4	-172.2	177.6	174.6	0	109.9	I805 L899	K792-I805 HydrophobicContact CB-CD1 4.16Å; K792-I805 HydrophobicContact CB-CG1 4.2Å; K792-I805 VanDerWaalsContact O-CG1 3.28Å; K792-I805 WeakPolarHBondContact O-CG1 3.29Å; K792-I805 PolarHBondContact O-N 2.68Å; K792-L899 HydrophobicContact CB-CD2 3.64Å
793	F	95.3	Very high	92.2	Very high	19 Å²	19	37.5 Å²	37.5	8%	0.083	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	158.3	174.6	64.5	-60	0	0	0	111.6	S409 H411 A424 L426 F435 F795 T802 Y803 I804	S409-F793 WeakPolarHBondContact OG-CE1 3.42Å; H411-F793 HydrophobicContact CB-CE1 4.33Å; H411-F793 HydrophobicContact CB-CE2 3.81Å; H411-F793 HydrophobicContact CB-CZ 3.48Å; H411-F793 VanDerWaalsContact CB-CZ 3.48Å; A424-F793 HydrophobicContact CB-CE2 3.96Å; A424-F793 HydrophobicContact CB-CZ 4.21Å; A424-F793 WeakPolarHBondContact O-CZ 3.06Å; L426-F793 HydrophobicContact CD1-CB 3.9Å; L426-F793 HydrophobicContact CD1-CD1 3.17Å; L426-F793 HydrophobicContact CD1-CE1 3.81Å; L426-F793 HydrophobicContact CD1-CG 3.74Å; L426-F793 HydrophobicContact CG-CD1 3.74Å; L426-F793 HydrophobicContact CG-CE1 3.92Å; L426-F793 HydrophobicContact CG-CG 4.29Å; F435-F793 HydrophobicContact CE2-CE2 4.33Å; F793-F795 HydrophobicContact CD2-CD2 4.19Å; F793-F795 AromaticContact CD2-CE2 3.45Å; F793-F795 HydrophobicContact CD2-CE2 3.45Å; F793-F795 VanDerWaalsContact CD2-CE2 3.45Å; F793-F795 AromaticContact CD2-CZ 3.81Å; F793-F795 HydrophobicContact CD2-CZ 3.81Å; F793-F795 HydrophobicContact CE2-CD2 4.19Å; F793-F795 AromaticContact CE2-CE2 3.11Å; F793-F795 HydrophobicContact CE2-CE2 3.11Å; F793-F795 AromaticContact CE2-CZ 3.39Å; F793-F795 HydrophobicContact CE2-CZ 3.39Å; F793-F795 HydrophobicContact CZ-CE2 4.14Å; F793-T802 HydrophobicContact CB-CG2 3.81Å; F793-T802 HydrophobicContact CD2-CG2 3.53Å; F793-T802 HydrophobicContact CG-CG2 4.15Å; F793-Y803 CarbonylContact C-O 3.6Å; F793-Y803 WeakPolarHBondContact CA-O 3.33Å; F793-Y803 VanDerWaalsContact CB-O 3.31Å; F793-Y803 WeakPolarHBondContact CB-O 3.29Å; F793-I804 HydrophobicContact CB-CB 4.49Å; F793-I804 HydrophobicContact CB-CG1 4.04Å
794	V	93.7	Very high	92.4	Very high	29 Å²	29	35 Å²	35	18%	0.176	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.6	172.8	-65.6	0	0	0	0	109.9	Y803 L899 F901 L913	V794-Y803 PolarHBondContact N-O 2.76Å; V794-Y803 PolarHBondContact O-N 3.08Å; V794-L899 HydrophobicContact CG1-CG 4.1Å; V794-L899 HydrophobicContact CG2-CD1 3.7Å; V794-L899 HydrophobicContact CG2-CG 3.93Å; V794-F901 HydrophobicContact CB-CD2 4.1Å; V794-F901 HydrophobicContact CB-CE2 3.71Å; V794-F901 HydrophobicContact CG2-CD2 3.9Å; V794-F901 HydrophobicContact CG2-CE2 3.36Å; V794-F901 HydrophobicContact CG2-CZ 3.76Å; V794-L913 HydrophobicContact CG2-CD1 3.97Å
795	F	90.5	Very high	92.5	Very high	27 Å²	27	32.8 Å²	32.8	12%	0.118	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	133.9	175.8	-68.9	-91.9	0	0	0	111.1	H411 F415 A424 F793 P797 T802 P879 F901	H411-F795 HydrophobicContact CB-CD2 4.47Å; H411-F795 HydrophobicContact CB-CE2 3.73Å; H411-F795 AromaticContact CD2-CD2 3.31Å; H411-F795 WeakPolarHBondContact CD2-CD2 3.3Å; H411-F795 AromaticContact CD2-CE2 3.27Å; H411-F795 WeakPolarHBondContact CD2-CE2 3.32Å; H411-F795 AromaticContact CG-CE2 3.77Å; F415-F795 AromaticContact CD1-CD1 3.8Å; F415-F795 HydrophobicContact CD1-CD1 3.8Å; F415-F795 AromaticContact CD1-CE1 3.51Å; F415-F795 HydrophobicContact CD1-CE1 3.51Å; F415-F795 HydrophobicContact CD1-CZ 4.06Å; F415-F795 AromaticContact CE1-CD1 3.39Å; F415-F795 HydrophobicContact CE1-CD1 3.39Å; F415-F795 AromaticContact CE1-CD2 3.91Å; F415-F795 HydrophobicContact CE1-CD2 3.91Å; F415-F795 AromaticContact CE1-CE1 3.03Å; F415-F795 HydrophobicContact CE1-CE1 3.03Å; F415-F795 AromaticContact CE1-CE2 3.62Å; F415-F795 HydrophobicContact CE1-CE2 3.62Å; F415-F795 AromaticContact CE1-CG 3.79Å; F415-F795 HydrophobicContact CE1-CG 3.79Å; F415-F795 AromaticContact CE1-CZ 3.16Å; F415-F795 HydrophobicContact CE1-CZ 3.16Å; F415-F795 HydrophobicContact CE2-CE1 4.39Å; F415-F795 HydrophobicContact CE2-CZ 4.08Å; F415-F795 HydrophobicContact CG-CE1 4.35Å; F415-F795 HydrophobicContact CZ-CD1 4.28Å; F415-F795 HydrophobicContact CZ-CD2 4.31Å; F415-F795 AromaticContact CZ-CE1 3.55Å; F415-F795 HydrophobicContact CZ-CE1 3.55Å; F415-F795 AromaticContact CZ-CE2 3.62Å; F415-F795 HydrophobicContact CZ-CE2 3.62Å; F415-F795 AromaticContact CZ-CZ 3.17Å; F415-F795 HydrophobicContact CZ-CZ 3.17Å; A424-F795 HydrophobicContact CB-CZ 3.8Å; F793-F795 HydrophobicContact CD2-CD2 4.19Å; F793-F795 AromaticContact CD2-CE2 3.45Å; F793-F795 HydrophobicContact CD2-CE2 3.45Å; F793-F795 VanDerWaalsContact CD2-CE2 3.45Å; F793-F795 AromaticContact CD2-CZ 3.81Å; F793-F795 HydrophobicContact CD2-CZ 3.81Å; F793-F795 HydrophobicContact CE2-CD2 4.19Å; F793-F795 AromaticContact CE2-CE2 3.11Å; F793-F795 HydrophobicContact CE2-CE2 3.11Å; F793-F795 AromaticContact CE2-CZ 3.39Å; F793-F795 HydrophobicContact CE2-CZ 3.39Å; F793-F795 HydrophobicContact CZ-CE2 4.14Å; F795-P797 WeakPolarHBondContact O-CD 3.44Å; F795-T802 WeakPolarHBondContact CD1-OG1 3.27Å; F795-T802 HydrophobicContact CE1-CG2 4.35Å; F795-T802 WeakPolarHBondContact CE1-OG1 3.25Å; F795-T802 HydrophobicContact CZ-CG2 4.47Å; F795-P879 HydrophobicContact CE1-CG 3.86Å; F795-F901 WeakPolarHBondContact O-CE2 3.43Å
796	H	89.8	Confident	92.6	Very high	11 Å²	11	27.8 Å²	27.8	5%	0.051	14%	0.143	C	C	.	.			trans	-66.2	119.9	167	-166.5	-105.9	0	0	0	109	D798 S799 N800 I801 Y803 F901	H796-D798 PolarHBondContact O-N 2.55Å; H796-D798 VanDerWaalsContact O-N 3.13Å; H796-S799 WeakPolarHBondContact CB-OG 3.39Å; H796-S799 PolarHBondContact ND1-N 3.3Å; H796-S799 PolarHBondContact ND1-OG 2.77Å; H796-S799 PolarHBondContact O-N 2.9Å; H796-N800 PolarHBondContact O-N 3.39Å; H796-I801 HydrophobicContact CB-CB 4.46Å; H796-I801 WeakPolarHBondContact CB-O 3.41Å; H796-I801 PolarHBondContact N-O 3.27Å; H796-Y803 HydrophobicContact CB-CE2 4.14Å; H796-F901 HydrophobicContact CB-CZ 4.34Å
797	P	80.8	Confident	92.7	Very high	85 Å²	85	27.2 Å²	27.2	55%	0.552	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.9	-173.1	-26.9	35.2	0	0	0	114.6	F795	F795-P797 WeakPolarHBondContact O-CD 3.44Å
798	D	83.4	Confident	92.8	Very high	116 Å²	116	26.2 Å²	26.2	62%	0.62	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-19.4	-170.2	-55.4	-37.9	0	0	0	113.8	H796	H796-D798 PolarHBondContact O-N 2.55Å; H796-D798 VanDerWaalsContact O-N 3.13Å
799	S	83.8	Confident	92.8	Very high	30 Å²	30	28.6 Å²	28.6	21%	0.21	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-0.5	-172.8	63.7	0	0	0	0	114.8	H796 I801 N941	H796-S799 WeakPolarHBondContact CB-OG 3.39Å; H796-S799 PolarHBondContact ND1-N 3.3Å; H796-S799 PolarHBondContact ND1-OG 2.77Å; H796-S799 PolarHBondContact O-N 2.9Å; S799-I801 PolarHBondContact O-N 3.24Å; S799-N941 WeakPolarHBondContact CB-O 3.43Å; S799-N941 PolarHBondContact OG-O 3.48Å
800	N	82.3	Confident	92.7	Very high	55 Å²	55	30.1 Å²	30.1	29%	0.294	16%	0.155	S	C	.	.			trans	54.5	15.5	-176.1	-64.2	-13.4	0	0	0	114.3	F415 H796 P879	F415-N800 PolarHBondContact O-ND2 2.93Å; F415-N800 VanDerWaalsContact O-ND2 3.12Å; H796-N800 PolarHBondContact O-N 3.39Å; N800-P879 WeakPolarHBondContact O-CD 3.46Å
801	I	90.5	Very high	92.6	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.026	16%	0.157	C	C	.	.			trans	-75.3	133.6	172.3	-64	174.5	0	0	0	108.7	H796 S799 Y803 K878 G942 E943	H796-I801 HydrophobicContact CB-CB 4.46Å; H796-I801 WeakPolarHBondContact CB-O 3.41Å; H796-I801 PolarHBondContact N-O 3.27Å; S799-I801 PolarHBondContact O-N 3.24Å; I801-Y803 HydrophobicContact CG2-CE2 4.35Å; I801-K878 HydrophobicContact CG1-CG 4.24Å; I801-G942 VanDerWaalsContact CD1-C 3.42Å; I801-E943 HydrophobicContact CD1-CB 4.39Å; I801-E943 HydrophobicContact CD1-CG 3.61Å
802	T	93.1	Very high	92.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.7	179.8	-57.9	0	0	0	0	110.9	F435 F793 F795 I804 C876 F877 P879	F435-T802 HydrophobicContact CE2-CG2 4.48Å; F793-T802 HydrophobicContact CB-CG2 3.81Å; F793-T802 HydrophobicContact CD2-CG2 3.53Å; F793-T802 HydrophobicContact CG-CG2 4.15Å; F795-T802 WeakPolarHBondContact CD1-OG1 3.27Å; F795-T802 HydrophobicContact CE1-CG2 4.35Å; F795-T802 WeakPolarHBondContact CE1-OG1 3.25Å; F795-T802 HydrophobicContact CZ-CG2 4.47Å; T802-I804 HydrophobicContact CG2-CD1 4.25Å; T802-I804 HydrophobicContact CG2-CG1 3.67Å; T802-C876 CarbonylContact O-C 3.58Å; T802-F877 PolarHBondContact N-O 3.32Å; T802-F877 PolarHBondContact O-N 3.16Å; T802-P879 WeakPolarHBondContact OG1-CG 3.15Å
803	Y	95.8	Very high	92.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.4	170	-59.4	-92.4	0	0	0	108.6	F793 V794 H796 I801 R875 C876 L899 F901 L913 G942 L945	F793-Y803 CarbonylContact C-O 3.6Å; F793-Y803 WeakPolarHBondContact CA-O 3.33Å; F793-Y803 VanDerWaalsContact CB-O 3.31Å; F793-Y803 WeakPolarHBondContact CB-O 3.29Å; V794-Y803 PolarHBondContact N-O 2.76Å; V794-Y803 PolarHBondContact O-N 3.08Å; H796-Y803 HydrophobicContact CB-CE2 4.14Å; I801-Y803 HydrophobicContact CG2-CE2 4.35Å; Y803-R875 CarbonylContact C-O 3.57Å; Y803-R875 VanDerWaalsContact CA-O 3.31Å; Y803-R875 WeakPolarHBondContact CA-O 3.45Å; Y803-C876 HydrophobicContact CD1-CB 4.21Å; Y803-C876 VanDerWaalsContact CD1-SG 3.51Å; Y803-C876 HydrophobicContact CE1-CB 4.16Å; Y803-C876 WeakPolarHBondContact CE1-SG 3.39Å; Y803-L899 WeakPolarHBondContact O-CD1 3.35Å; Y803-F901 AromaticContact CD2-CE1 3.97Å; Y803-F901 HydrophobicContact CD2-CE1 3.97Å; Y803-F901 HydrophobicContact CD2-CE2 4.39Å; Y803-F901 AromaticContact CD2-CZ 3.38Å; Y803-F901 HydrophobicContact CD2-CZ 3.38Å; Y803-F901 AromaticContact CE2-CE1 3.76Å; Y803-F901 HydrophobicContact CE2-CE1 3.76Å; Y803-F901 AromaticContact CE2-CZ 3.41Å; Y803-F901 HydrophobicContact CE2-CZ 3.41Å; Y803-F901 VanDerWaalsContact CE2-CZ 3.41Å; Y803-F901 HydrophobicContact CG-CZ 4.43Å; Y803-L913 HydrophobicContact CD1-CD2 3.78Å; Y803-L913 HydrophobicContact CE1-CD2 4.29Å; Y803-L913 HydrophobicContact CG-CD2 3.99Å; Y803-G942 WeakPolarHBondContact OH-CA 3.36Å; Y803-G942 PolarHBondContact OH-O 3.35Å; Y803-L945 HydrophobicContact CD1-CD1 3.77Å; Y803-L945 HydrophobicContact CD1-CD2 4.37Å; Y803-L945 HydrophobicContact CD1-CG 4.29Å; Y803-L945 HydrophobicContact CE1-CD1 3.66Å; Y803-L945 HydrophobicContact CE1-CD2 3.57Å; Y803-L945 HydrophobicContact CE1-CG 3.65Å
804	I	97.2	Very high	92.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.9	-174.7	-50.7	173.5	0	0	0	108.2	L426 F435 L786 P790 F793 T802 E806 L874 R875 F877	L426-I804 HydrophobicContact CD1-CG2 4.13Å; L426-I804 HydrophobicContact CD2-CD1 4.13Å; L426-I804 HydrophobicContact CD2-CG2 4.01Å; F435-I804 HydrophobicContact CD2-CD1 3.83Å; L786-I804 HydrophobicContact CD2-CD1 4.4Å; P790-I804 HydrophobicContact CB-CG2 4.09Å; F793-I804 HydrophobicContact CB-CB 4.49Å; F793-I804 HydrophobicContact CB-CG1 4.04Å; T802-I804 HydrophobicContact CG2-CD1 4.25Å; T802-I804 HydrophobicContact CG2-CG1 3.67Å; I804-E806 HydrophobicContact CG2-CG 4.12Å; I804-L874 WeakPolarHBondContact O-CA 3.27Å; I804-R875 HydrophobicContact CB-CB 4.42Å; I804-R875 PolarHBondContact N-O 2.63Å; I804-R875 PolarHBondContact O-N 3.04Å; I804-F877 HydrophobicContact CD1-CB 4.04Å; I804-F877 HydrophobicContact CD1-CD1 4.12Å; I804-F877 HydrophobicContact CD1-CG 4.17Å
805	I	97.9	Very high	92.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	126	166.6	52.2	168.5	0	0	0	109.6	R791 K792 L874 A896 L899 V915	R791-I805 HydrophobicContact CB-CD1 4.14Å; R791-I805 HydrophobicContact CB-CG1 4.18Å; R791-I805 PolarHBondContact N-O 2.78Å; K792-I805 HydrophobicContact CB-CD1 4.16Å; K792-I805 HydrophobicContact CB-CG1 4.2Å; K792-I805 VanDerWaalsContact O-CG1 3.28Å; K792-I805 WeakPolarHBondContact O-CG1 3.29Å; K792-I805 PolarHBondContact O-N 2.68Å; I805-L874 HydrophobicContact CG2-CD1 3.84Å; I805-A896 HydrophobicContact CB-CB 4.03Å; I805-A896 HydrophobicContact CD1-CB 4.36Å; I805-A896 HydrophobicContact CG2-CB 3.91Å; I805-L899 HydrophobicContact CD1-CD2 3.89Å; I805-L899 HydrophobicContact CG1-CD2 3.82Å; I805-L899 HydrophobicContact CG2-CD1 4.21Å; I805-L899 HydrophobicContact CG2-CD2 4.39Å; I805-V915 HydrophobicContact CG2-CG1 4.08Å
806	E	98	Very high	92.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.9	177	-53.6	172.1	-142.5	0	0	107.6	Q787 Y788 I804 S872 L873 R875	Q787-E806 WeakPolarHBondContact CA-OE2 3.4Å; Q787-E806 PolarHBondContact N-OE2 3.46Å; Y788-E806 HydrophobicContact CD2-CB 4.49Å; Y788-E806 PolarHBondContact N-OE2 2.9Å; I804-E806 HydrophobicContact CG2-CG 4.12Å; E806-S872 CarbonylContact O-C 3.47Å; E806-S872 WeakPolarHBondContact O-CA 3.29Å; E806-S872 PolarHBondContact O-OG 3.15Å; E806-S872 VanDerWaalsContact O-OG 3.05Å; E806-L873 HydrophobicContact CB-CD1 3.98Å; E806-L873 HydrophobicContact CB-CG 4.11Å; E806-L873 HydrophobicContact CG-CD1 3.92Å; E806-L873 PolarHBondContact N-O 3.09Å; E806-L873 PolarHBondContact O-N 2.86Å; E806-L873 WeakPolarHBondContact OE1-CD1 3.38Å; E806-R875 IonicContact OE1-CZ 3.63Å; E806-R875 IonicContact OE1-NE 3.62Å; E806-R875 PolarHBondContact OE1-NE 3.28Å; E806-R875 IonicContact OE1-NH2 3.95Å; E806-R875 PolarHBondContact OE1-NH2 2.84Å; E806-R875 IonicContact OE2-NH2 2.73Å
807	T	97.8	Very high	92.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	125.6	-172.5	-59.3	0	0	0	0	110.2	T789 R791 W870 A871 S872 A895 A896	T789-T807 PolarHBondContact O-N 2.71Å; R791-T807 PolarHBondContact NE-O 3Å; R791-T807 PolarHBondContact NH2-O 3.21Å; T807-W870 HydrophobicContact CG2-CE3 3.76Å; T807-W870 HydrophobicContact CG2-CZ3 4.1Å; T807-A871 CarbonylContact C-O 3.55Å; T807-A871 WeakPolarHBondContact CA-O 3.34Å; T807-S872 PolarHBondContact OG1-OG 3.35Å; T807-A895 HydrophobicContact CG2-CB 3.58Å; T807-A896 WeakPolarHBondContact CB-O 3.36Å; T807-A896 PolarHBondContact OG1-N 3.35Å; T807-A896 PolarHBondContact OG1-O 3.05Å
808	D	97.1	Very high	93.1	Very high	12 Å²	12	29.5 Å²	29.5	6%	0.064	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144	175.3	-88.4	-42	0	0	0	113.7	G430 Y788 T789 R791 S811 W870 A871	G430-D808 VanDerWaalsContact CA-OD2 3.25Å; G430-D808 WeakPolarHBondContact CA-OD2 3.49Å; Y788-D808 VanDerWaalsContact CA-OD2 3.25Å; Y788-D808 WeakPolarHBondContact CA-OD2 3.19Å; Y788-D808 VanDerWaalsContact CB-OD2 3.29Å; Y788-D808 WeakPolarHBondContact CB-OD2 3.43Å; Y788-D808 HydrophobicContact CD1-CB 4.19Å; T789-D808 WeakPolarHBondContact CB-OD1 3.39Å; T789-D808 PolarHBondContact N-OD2 3.19Å; T789-D808 VanDerWaalsContact OG1-CG 3.29Å; T789-D808 PolarHBondContact OG1-OD1 2.91Å; T789-D808 PolarHBondContact OG1-OD2 2.76Å; R791-D808 IonicContact NH2-OD1 2.76Å; D808-S811 WeakPolarHBondContact CB-OG 3.19Å; D808-W870 VanDerWaalsContact C-CE3 3.45Å; D808-W870 WeakPolarHBondContact O-CA 3.39Å; D808-A871 PolarHBondContact N-O 2.94Å; D808-A871 PolarHBondContact O-N 2.75Å
809	H	96.4	Very high	93.6	Very high	58 Å²	58	27.1 Å²	27.1	27%	0.269	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	156.4	168.8	178.7	-111.6	0	0	0	109.7	S811 G868 M869 W870	H809-S811 PolarHBondContact O-N 3.3Å; H809-S811 PolarHBondContact O-OG 3Å; H809-S811 VanDerWaalsContact O-OG 3.08Å; H809-G868 PolarHBondContact NE2-N 3.37Å; H809-M869 CarbonylContact C-O 3.47Å; H809-W870 HydrophobicContact CB-CD2 4.19Å; H809-W870 HydrophobicContact CB-CE3 3.9Å; H809-W870 HydrophobicContact CB-CH2 3.63Å; H809-W870 HydrophobicContact CB-CZ2 3.92Å; H809-W870 HydrophobicContact CB-CZ3 3.62Å; H809-W870 AromaticContact CD2-CE2 3.54Å; H809-W870 AromaticContact CD2-CZ2 3.54Å; H809-W870 AromaticContact CD2-NE1 3.76Å; H809-W870 AromaticContact CG-CZ2 4Å
810	N	95.2	Very high	93.9	Very high	36 Å²	36	28.7 Å²	28.7	19%	0.193	15%	0.151	C	C	.	.	S	Bend	trans	56.2	43.3	177.8	-162.7	7.7	0	0	0	110.9	K864 A865 G866 M869	N810-K864 WeakPolarHBondContact O-CA 3.36Å; N810-K864 WeakPolarHBondContact O-CD 3.37Å; N810-A865 PolarHBondContact O-N 3.21Å; N810-A865 PolarHBondContact OD1-N 3.36Å; N810-G866 VanDerWaalsContact OD1-CA 3.29Å; N810-G866 WeakPolarHBondContact OD1-CA 3.37Å; N810-G866 PolarHBondContact OD1-N 3.47Å; N810-G866 PolarHBondContact OD1-O 2.81Å; N810-M869 PolarHBondContact N-O 3.05Å
811	S	95.3	Very high	94.3	Very high	6 Å²	6	27.2 Å²	27.2	4%	0.042	14%	0.142	C	C	.	.			trans	-142.1	145.5	-171.8	-63.9	0	0	0	0	111.9	D808 H809 W870 Q892	D808-S811 WeakPolarHBondContact CB-OG 3.19Å; H809-S811 PolarHBondContact O-N 3.3Å; H809-S811 PolarHBondContact O-OG 3Å; H809-S811 VanDerWaalsContact O-OG 3.08Å; S811-W870 CarbonylContact O-C 3.47Å; S811-Q892 PolarHBondContact O-NE2 3.41Å
812	Y	94.8	Very high	94.4	Very high	22 Å²	22	34.5 Å²	34.5	9%	0.086	17%	0.169	C	C	.	.			trans	-89.7	141.8	173.6	-66.1	-67.1	0	0	0	112	L278 Y788 V816 H820 P863 A865 M869 A871	L278-Y812 WeakPolarHBondContact O-CE2 3.41Å; Y788-Y812 PolarHBondContact OH-O 2.75Å; Y812-V816 HydrophobicContact CD1-CB 4.35Å; Y812-V816 HydrophobicContact CD1-CG1 3.62Å; Y812-V816 HydrophobicContact CE1-CG1 4.09Å; Y812-H820 AromaticContact CE1-CE1 3.4Å; Y812-H820 WeakPolarHBondContact CE1-CE1 3.22Å; Y812-H820 AromaticContact CE1-ND1 3.52Å; Y812-H820 AromaticContact CZ-CE1 3.71Å; Y812-H820 AromaticContact CZ-ND1 3.49Å; Y812-H820 PolarHBondContact OH-ND1 3.15Å; Y812-P863 HydrophobicContact CD2-CG 4.41Å; Y812-A865 HydrophobicContact CD1-CB 3.55Å; Y812-A865 HydrophobicContact CD2-CB 3.69Å; Y812-A865 HydrophobicContact CE1-CB 3.4Å; Y812-A865 VanDerWaalsContact CE2-CA 3.48Å; Y812-A865 HydrophobicContact CE2-CB 3.54Å; Y812-A865 HydrophobicContact CG-CB 3.7Å; Y812-A865 VanDerWaalsContact CZ-CA 3.42Å; Y812-A865 VanDerWaalsContact CZ-CB 3.4Å; Y812-M869 HydrophobicContact CD1-CE 4.36Å; Y812-M869 HydrophobicContact CE1-CE 4.11Å; Y812-A871 WeakPolarHBondContact O-CB 3.45Å
813	T	95.6	Very high	94.3	Very high	10 Å²	10	39 Å²	39	6%	0.061	19%	0.19	C	C	.	.			trans	-67.8	151.3	158.5	54.7	0	0	0	0	110	D815 V816 K817 A871 Q892	T813-D815 PolarHBondContact O-N 3.42Å; T813-V816 PolarHBondContact O-N 2.95Å; T813-V816 VanDerWaalsContact O-N 3.15Å; T813-V816 WeakPolarHBondContact OG1-CG2 3.47Å; T813-K817 WeakPolarHBondContact O-CB 3.32Å; T813-K817 PolarHBondContact O-N 3.31Å; T813-A871 HydrophobicContact CG2-CB 3.98Å; T813-Q892 HydrophobicContact CG2-CB 4.45Å; T813-Q892 PolarHBondContact OG1-OE1 2.88Å
814	D	91.3	Very high	94	Very high	26 Å²	26	41.7 Å²	41.7	14%	0.139	20%	0.203	C	C	.	.	H	α-helix	trans	-56.2	-35.4	-179.2	-70.8	-32.7	0	0	0	112.9	Q787 K817 N818 R889	Q787-D814 PolarHBondContact NE2-OD1 3.24Å; Q787-D814 PolarHBondContact NE2-OD2 3.46Å; D814-K817 IonicContact OD1-NZ 3.67Å; D814-K817 PolarHBondContact OD1-NZ 2.9Å; D814-N818 VanDerWaalsContact O-CB 3.3Å; D814-N818 WeakPolarHBondContact O-CB 3.45Å; D814-N818 PolarHBondContact O-N 2.84Å; D814-N818 PolarHBondContact O-ND2 2.85Å; D814-R889 IonicContact OD2-CZ 3.87Å; D814-R889 IonicContact OD2-NE 3.26Å; D814-R889 IonicContact OD2-NH1 3.63Å; D814-R889 PolarHBondContact OD2-NH1 2.94Å; D814-R889 IonicContact OD2-NH2 3.38Å; D814-R889 PolarHBondContact OD2-NH2 3.33Å
815	D	92.8	Very high	93.6	Very high	112 Å²	112	41.9 Å²	41.9	60%	0.599	21%	0.205	S	C	*	.	H	α-helix	trans	-66	-45	178.8	-65.4	-29.2	0	0	0	112	T813 T819	T813-D815 PolarHBondContact O-N 3.42Å; D815-T819 WeakPolarHBondContact O-CB 3.42Å; D815-T819 PolarHBondContact O-N 2.66Å; D815-T819 VanDerWaalsContact O-N 3.08Å; D815-T819 PolarHBondContact O-OG1 3.07Å
816	V	93.4	Very high	93.3	Very high	34 Å²	34	48 Å²	48	21%	0.206	23%	0.234	C	C	.	.	H	α-helix	trans	-69.9	-42.6	177.6	176.7	0	0	0	0	110.6	Y812 T813 N818 T819 H820 Q892	Y812-V816 HydrophobicContact CD1-CB 4.35Å; Y812-V816 HydrophobicContact CD1-CG1 3.62Å; Y812-V816 HydrophobicContact CE1-CG1 4.09Å; T813-V816 PolarHBondContact O-N 2.95Å; T813-V816 VanDerWaalsContact O-N 3.15Å; T813-V816 WeakPolarHBondContact OG1-CG2 3.47Å; V816-N818 PolarHBondContact O-N 3.27Å; V816-T819 WeakPolarHBondContact O-CB 3.33Å; V816-T819 PolarHBondContact O-N 3Å; V816-T819 VanDerWaalsContact O-N 3.08Å; V816-H820 PolarHBondContact O-N 2.85Å; V816-Q892 HydrophobicContact CG2-CB 3.82Å; V816-Q892 HydrophobicContact CG2-CG 4.06Å
817	K	92.3	Very high	92.8	Very high	25 Å²	25	55.1 Å²	55.1	11%	0.109	26%	0.264	C	S	.	.	H	α-helix	trans	-56	-48.6	175.4	-173.4	176.9	68.4	-161.5	0	111.6	L278 T813 D814 T819 H820 K821 E857 P863	L278-K817 HydrophobicContact CD1-CG 4.28Å; T813-K817 WeakPolarHBondContact O-CB 3.32Å; T813-K817 PolarHBondContact O-N 3.31Å; D814-K817 IonicContact OD1-NZ 3.67Å; D814-K817 PolarHBondContact OD1-NZ 2.9Å; K817-T819 VanDerWaalsContact C-N 3.29Å; K817-T819 PolarHBondContact O-N 3.09Å; K817-H820 PolarHBondContact O-N 3.23Å; K817-K821 WeakPolarHBondContact O-CB 3.39Å; K817-K821 PolarHBondContact O-N 3.13Å; K817-E857 IonicContact NZ-OE1 3.42Å; K817-E857 PolarHBondContact NZ-OE1 3.37Å; K817-P863 HydrophobicContact CD-CG 4.22Å
818	N	92.2	Very high	92.2	Very high	73 Å²	73	56.5 Å²	56.5	39%	0.39	27%	0.271	S	S	.	.	H	α-helix	trans	-63.8	-35.1	177	-74.2	-31.8	0	0	0	112.5	D814 V816 R822	D814-N818 VanDerWaalsContact O-CB 3.3Å; D814-N818 WeakPolarHBondContact O-CB 3.45Å; D814-N818 PolarHBondContact O-N 2.84Å; D814-N818 PolarHBondContact O-ND2 2.85Å; V816-N818 PolarHBondContact O-N 3.27Å; N818-R822 WeakPolarHBondContact O-CG 3.46Å; N818-R822 PolarHBondContact O-N 2.64Å; N818-R822 VanDerWaalsContact O-N 3.13Å
819	T	93	Very high	91.7	Very high	65 Å²	65	58.3 Å²	58.3	40%	0.399	28%	0.281	S	S	.	.	H	α-helix	trans	-67.9	-46.1	176.3	-57.2	0	0	0	0	111	D815 V816 K817 K821 R822 Q823	D815-T819 WeakPolarHBondContact O-CB 3.42Å; D815-T819 PolarHBondContact O-N 2.66Å; D815-T819 VanDerWaalsContact O-N 3.08Å; D815-T819 PolarHBondContact O-OG1 3.07Å; V816-T819 WeakPolarHBondContact O-CB 3.33Å; V816-T819 PolarHBondContact O-N 3Å; V816-T819 VanDerWaalsContact O-N 3.08Å; K817-T819 VanDerWaalsContact C-N 3.29Å; K817-T819 PolarHBondContact O-N 3.09Å; T819-K821 PolarHBondContact O-N 3.26Å; T819-R822 PolarHBondContact O-N 2.67Å; T819-Q823 WeakPolarHBondContact O-CG 3.25Å; T819-Q823 PolarHBondContact O-N 2.93Å
820	H	89.4	Confident	91.3	Very high	63 Å²	63	58 Å²	58	29%	0.292	29%	0.288	S	S	.	.	H	α-helix	trans	-61.3	-43.7	175.8	-78	-156.6	0	0	0	111.5	L278 Y812 V816 K817 R822 Q823 M824	L278-H820 HydrophobicContact CD2-CB 4.45Å; Y812-H820 AromaticContact CE1-CE1 3.4Å; Y812-H820 WeakPolarHBondContact CE1-CE1 3.22Å; Y812-H820 AromaticContact CE1-ND1 3.52Å; Y812-H820 AromaticContact CZ-CE1 3.71Å; Y812-H820 AromaticContact CZ-ND1 3.49Å; Y812-H820 PolarHBondContact OH-ND1 3.15Å; V816-H820 PolarHBondContact O-N 2.85Å; K817-H820 PolarHBondContact O-N 3.23Å; H820-R822 VanDerWaalsContact C-N 3.31Å; H820-R822 PolarHBondContact O-N 2.7Å; H820-Q823 PolarHBondContact O-N 2.9Å; H820-Q823 VanDerWaalsContact O-N 3.16Å; H820-M824 PolarHBondContact O-N 3.46Å
821	K	91	Very high	90.8	Very high	25 Å²	25	61.2 Å²	61.2	11%	0.109	31%	0.313	C	S	.	.	H	α-helix	trans	-57.6	-43.1	176.3	-157.8	-176.3	-171.6	-168.3	0	112.2	L278 K817 T819 M824 A825 F850 L851 E853	L278-K821 HydrophobicContact CD2-CB 4.37Å; K817-K821 WeakPolarHBondContact O-CB 3.39Å; K817-K821 PolarHBondContact O-N 3.13Å; T819-K821 PolarHBondContact O-N 3.26Å; K821-M824 PolarHBondContact O-N 3.15Å; K821-A825 WeakPolarHBondContact O-CB 3.34Å; K821-A825 PolarHBondContact O-N 2.95Å; K821-F850 HydrophobicContact CB-CE1 4.41Å; K821-F850 WeakPolarHBondContact CE-O 3.31Å; K821-F850 HydrophobicContact CG-CD1 4.14Å; K821-F850 HydrophobicContact CG-CE1 3.42Å; K821-F850 VanDerWaalsContact CG-CE1 3.42Å; K821-F850 HydrophobicContact CG-CZ 3.71Å; K821-F850 PolarHBondContact NZ-O 3.1Å; K821-F850 WeakPolarHBondContact O-CE1 3.37Å; K821-L851 HydrophobicContact CD-CD2 4.45Å; K821-L851 HydrophobicContact CG-CD2 4.16Å; K821-L851 PolarHBondContact NZ-O 3.07Å; K821-E853 PolarHBondContact NZ-O 3.17Å
822	R	92.7	Very high	90	Very high	157 Å²	157	61.5 Å²	61.5	59%	0.592	32%	0.316	S	S	*	.	H	α-helix	trans	-65.1	-44.8	174.6	-72.1	176	-169.5	158	4.6	112.5	N818 T819 H820 M824 A825 E826 L851	N818-R822 WeakPolarHBondContact O-CG 3.46Å; N818-R822 PolarHBondContact O-N 2.64Å; N818-R822 VanDerWaalsContact O-N 3.13Å; T819-R822 PolarHBondContact O-N 2.67Å; H820-R822 VanDerWaalsContact C-N 3.31Å; H820-R822 PolarHBondContact O-N 2.7Å; R822-M824 VanDerWaalsContact C-N 3.29Å; R822-M824 PolarHBondContact O-N 2.9Å; R822-A825 PolarHBondContact O-N 3.21Å; R822-E826 WeakPolarHBondContact O-CG 3.44Å; R822-E826 PolarHBondContact O-N 3.45Å; R822-L851 HydrophobicContact CG-CD2 4.11Å
823	Q	91.6	Very high	89.1	Confident	96 Å²	96	66.4 Å²	66.4	45%	0.449	34%	0.343	S	S	.	.	H	α-helix	trans	-61.4	-38.7	177.6	-72.1	174.5	-3.2	0	0	112.1	T819 H820 E826 K827	T819-Q823 WeakPolarHBondContact O-CG 3.25Å; T819-Q823 PolarHBondContact O-N 2.93Å; H820-Q823 PolarHBondContact O-N 2.9Å; H820-Q823 VanDerWaalsContact O-N 3.16Å; Q823-E826 PolarHBondContact O-N 3.41Å; Q823-K827 WeakPolarHBondContact O-CG 3.02Å; Q823-K827 PolarHBondContact O-N 2.63Å
824	M	88.5	Confident	88	Confident	55 Å²	55	69.8 Å²	69.8	27%	0.271	38%	0.38	S	S	.	.	H	α-helix	trans	-67.7	-42.8	176.7	-160.9	-179.1	-164	0	0	111.5	N276 H820 K821 R822 E826 K827 M828 F850	N276-M824 VanDerWaalsContact CA-CE 3.46Å; N276-M824 HydrophobicContact CB-CE 4.05Å; N276-M824 HydrophobicContact CB-SD 4.18Å; H820-M824 PolarHBondContact O-N 3.46Å; K821-M824 PolarHBondContact O-N 3.15Å; R822-M824 VanDerWaalsContact C-N 3.29Å; R822-M824 PolarHBondContact O-N 2.9Å; M824-E826 VanDerWaalsContact C-N 3.32Å; M824-E826 PolarHBondContact O-N 3.06Å; M824-K827 WeakPolarHBondContact O-CB 3.33Å; M824-K827 PolarHBondContact O-N 2.95Å; M824-K827 VanDerWaalsContact O-N 3.16Å; M824-M828 HydrophobicContact CG-CE 3.87Å; M824-M828 WeakPolarHBondContact O-CG 3.14Å; M824-M828 PolarHBondContact O-N 2.86Å; M824-M828 HydrophobicContact SD-CE 4.18Å; M824-F850 HydrophobicContact CB-CE1 4.06Å; M824-F850 HydrophobicContact CG-CE1 4.42Å; M824-F850 HydrophobicContact SD-CE1 4.14Å; M824-F850 HydrophobicContact SD-CZ 3.76Å
825	A	89.3	Confident	87.4	Confident	4 Å²	4	70.5 Å²	70.5	3%	0.033	39%	0.394	C	S	.	.	H	α-helix	trans	-60.6	-40.5	173.7	0	0	0	0	0	112.3	K821 R822 M828 I829 A847 F850 L851	K821-A825 WeakPolarHBondContact O-CB 3.34Å; K821-A825 PolarHBondContact O-N 2.95Å; R822-A825 PolarHBondContact O-N 3.21Å; A825-M828 PolarHBondContact O-N 2.87Å; A825-I829 WeakPolarHBondContact O-CG1 3.19Å; A825-I829 PolarHBondContact O-N 2.91Å; A825-I829 VanDerWaalsContact O-N 3.14Å; A825-A847 HydrophobicContact CB-CB 4.11Å; A825-F850 HydrophobicContact CB-CD1 4.33Å; A825-L851 HydrophobicContact CB-CD1 3.76Å; A825-L851 HydrophobicContact CB-CD2 3.94Å; A825-L851 HydrophobicContact CB-CG 3.7Å
826	E	91	Very high	86.8	Confident	129 Å²	129	68.4 Å²	68.4	60%	0.603	39%	0.385	S	S	*	.	H	α-helix	trans	-63.7	-41	173.5	-74.3	174.4	178.9	0	0	111.8	R822 Q823 M824 I829 A830	R822-E826 WeakPolarHBondContact O-CG 3.44Å; R822-E826 PolarHBondContact O-N 3.45Å; Q823-E826 PolarHBondContact O-N 3.41Å; M824-E826 VanDerWaalsContact C-N 3.32Å; M824-E826 PolarHBondContact O-N 3.06Å; E826-I829 PolarHBondContact O-N 2.69Å; E826-A830 VanDerWaalsContact O-CB 3.26Å; E826-A830 WeakPolarHBondContact O-CB 3.19Å; E826-A830 PolarHBondContact O-N 3.48Å
827	K	88.2	Confident	86.2	Confident	149 Å²	149	72.3 Å²	72.3	65%	0.648	41%	0.411	S	S	*	.	H	α-helix	trans	-62.9	-40.1	174.4	-76	178.6	-179.6	-178.7	0	112.5	Q823 M824 I829 A830 S831	Q823-K827 WeakPolarHBondContact O-CG 3.02Å; Q823-K827 PolarHBondContact O-N 2.63Å; M824-K827 WeakPolarHBondContact O-CB 3.33Å; M824-K827 PolarHBondContact O-N 2.95Å; M824-K827 VanDerWaalsContact O-N 3.16Å; K827-I829 VanDerWaalsContact C-N 3.33Å; K827-I829 PolarHBondContact O-N 2.9Å; K827-A830 PolarHBondContact O-N 2.65Å; K827-A830 VanDerWaalsContact O-N 3.16Å; K827-S831 PolarHBondContact O-N 3.12Å; K827-S831 PolarHBondContact O-OG 3.25Å
828	M	85	Confident	85.8	Confident	29 Å²	29	78.6 Å²	78.6	14%	0.143	44%	0.441	C	S	.	.	H	α-helix	trans	-61.6	-41	175.5	-68.3	177.1	-158.2	0	0	112	N276 M824 A825 A830 S831 A847 F850	N276-M828 HydrophobicContact CB-CE 3.62Å; N276-M828 WeakPolarHBondContact ND2-CE 3.44Å; N276-M828 WeakPolarHBondContact OD1-CE 3.48Å; M824-M828 HydrophobicContact CG-CE 3.87Å; M824-M828 WeakPolarHBondContact O-CG 3.14Å; M824-M828 PolarHBondContact O-N 2.86Å; M824-M828 HydrophobicContact SD-CE 4.18Å; A825-M828 PolarHBondContact O-N 2.87Å; M828-A830 VanDerWaalsContact C-N 3.33Å; M828-S831 PolarHBondContact O-OG 2.91Å; M828-A847 HydrophobicContact CB-CB 4.44Å; M828-F850 HydrophobicContact CE-CB 4.47Å; M828-F850 HydrophobicContact CE-CD1 3.83Å; M828-F850 HydrophobicContact CE-CD2 4.44Å; M828-F850 HydrophobicContact CE-CE1 4.11Å; M828-F850 HydrophobicContact CE-CG 4Å
829	I	87.7	Confident	85.3	Confident	51 Å²	51	78.8 Å²	78.8	26%	0.262	44%	0.442	S	S	.	.	H	α-helix	trans	-69.6	-38.3	175.2	-63.7	166.1	0	0	0	109.9	A825 E826 K827 A832 L833 M840 K844 A847	A825-I829 WeakPolarHBondContact O-CG1 3.19Å; A825-I829 PolarHBondContact O-N 2.91Å; A825-I829 VanDerWaalsContact O-N 3.14Å; E826-I829 PolarHBondContact O-N 2.69Å; K827-I829 VanDerWaalsContact C-N 3.33Å; K827-I829 PolarHBondContact O-N 2.9Å; I829-A832 PolarHBondContact O-N 2.84Å; I829-L833 PolarHBondContact O-N 3.21Å; I829-M840 HydrophobicContact CG2-CE 4.46Å; I829-K844 HydrophobicContact CD1-CG 4.26Å; I829-K844 HydrophobicContact CG1-CG 4.12Å; I829-K844 HydrophobicContact CG2-CG 4.27Å; I829-A847 HydrophobicContact CD1-CB 3.9Å; I829-A847 HydrophobicContact CG1-CB 3.78Å
830	A	88	Confident	84.9	Confident	50 Å²	50	77.5 Å²	77.5	41%	0.413	43%	0.432	S	S	.	.	H	α-helix	trans	-69.3	-35.4	-178.1	0	0	0	0	0	113.4	E826 K827 M828 A832 L833	E826-A830 VanDerWaalsContact O-CB 3.26Å; E826-A830 WeakPolarHBondContact O-CB 3.19Å; E826-A830 PolarHBondContact O-N 3.48Å; K827-A830 PolarHBondContact O-N 2.65Å; K827-A830 VanDerWaalsContact O-N 3.16Å; M828-A830 VanDerWaalsContact C-N 3.33Å; A830-A832 PolarHBondContact O-N 2.83Å; A830-L833 HydrophobicContact CB-CD1 4.08Å; A830-L833 VanDerWaalsContact O-CB 3.29Å; A830-L833 WeakPolarHBondContact O-CB 3.22Å; A830-L833 PolarHBondContact O-N 3.23Å
831	S	83.6	Confident	84.7	Confident	105 Å²	105	77.3 Å²	77.3	73%	0.734	44%	0.441	S	S	*	.	H	α-helix	trans	-65.5	-23.5	174.5	57.6	0	0	0	0	112.5	K827 M828	K827-S831 PolarHBondContact O-N 3.12Å; K827-S831 PolarHBondContact O-OG 3.25Å; M828-S831 PolarHBondContact O-OG 2.91Å
832	A	80.1	Confident	84.5	Confident	12 Å²	12	81.4 Å²	81.4	10%	0.099	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.8	172.7	0	0	0	0	0	114.1	I829 A830 G834 G835 M840 A843	I829-A832 PolarHBondContact O-N 2.84Å; A830-A832 PolarHBondContact O-N 2.83Å; A832-G834 PolarHBondContact O-N 3.37Å; A832-G835 PolarHBondContact O-N 3.11Å; A832-M840 HydrophobicContact CB-CG 4.29Å; A832-M840 HydrophobicContact CB-SD 3.74Å; A832-M840 WeakPolarHBondContact O-CG 3.5Å; A832-A843 HydrophobicContact CB-CB 3.45Å; A832-A843 VanDerWaalsContact CB-CB 3.45Å
833	L	74	Confident	84.2	Confident	124 Å²	124	74.6 Å²	74.6	65%	0.649	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	77	176.7	-71.1	166.1	0	0	0	110.6	I829 A830 M840	I829-L833 PolarHBondContact O-N 3.21Å; A830-L833 HydrophobicContact CB-CD1 4.08Å; A830-L833 VanDerWaalsContact O-CB 3.29Å; A830-L833 WeakPolarHBondContact O-CB 3.22Å; A830-L833 PolarHBondContact O-N 3.23Å; L833-M840 HydrophobicContact CD2-CE 3.6Å; L833-M840 HydrophobicContact CD2-SD 4.05Å; L833-M840 HydrophobicContact CG-CE 4.35Å; L833-M840 HydrophobicContact CG-SD 4.26Å
834	G	74.1	Confident	84	Confident	82 Å²	82	75.6 Å²	75.6	85%	0.845	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	152.8	-16.7	-174.5	0	0	0	0	0	113.1	A832	A832-G834 PolarHBondContact O-N 3.37Å
835	G	76.9	Confident	84	Confident	41 Å²	41	79.8 Å²	79.8	42%	0.423	46%	0.463	S	S	.	.	S	Bend	trans	-76.6	-175.6	171.4	0	0	0	0	0	113.2	A832	A832-G835 PolarHBondContact O-N 3.11Å
836	T	81.5	Confident	83.9	Confident	68 Å²	68	82.2 Å²	82.2	42%	0.417	48%	0.479	S	S	.	.			trans	-65.7	160.2	174.4	66.4	0	0	0	0	111.1	E838 D839 M840	T836-E838 PolarHBondContact O-N 2.92Å; T836-E838 VanDerWaalsContact O-N 3.15Å; T836-D839 WeakPolarHBondContact CB-OD2 3.32Å; T836-D839 PolarHBondContact N-OD2 2.91Å; T836-D839 WeakPolarHBondContact O-CB 3.36Å; T836-D839 PolarHBondContact O-N 2.78Å; T836-D839 VanDerWaalsContact O-N 3.09Å; T836-D839 PolarHBondContact OG1-N 2.97Å; T836-D839 PolarHBondContact OG1-OD1 3.03Å; T836-D839 PolarHBondContact OG1-OD2 3.03Å; T836-M840 PolarHBondContact O-N 3.31Å
837	P	80.6	Confident	83.8	Confident	115 Å²	115	76.1 Å²	76.1	75%	0.747	45%	0.451	S	S	*	.	H	α-helix	trans	-55.4	-28.9	172.6	-25.1	34.4	0	0	0	113.4	A841	P837-A841 PolarHBondContact O-N 2.89Å; P837-A841 VanDerWaalsContact O-N 3.07Å
838	E	83.1	Confident	83.9	Confident	157 Å²	157	71.7 Å²	71.7	73%	0.734	44%	0.442	S	S	*	.	H	α-helix	trans	-69.8	-45.7	175.3	-65	179	176.8	0	0	111	T836 M840 A841 L842	T836-E838 PolarHBondContact O-N 2.92Å; T836-E838 VanDerWaalsContact O-N 3.15Å; E838-M840 VanDerWaalsContact C-N 3.28Å; E838-M840 PolarHBondContact O-N 2.98Å; E838-A841 WeakPolarHBondContact O-CB 3.49Å; E838-A841 PolarHBondContact O-N 2.84Å; E838-L842 WeakPolarHBondContact O-CB 3.34Å; E838-L842 PolarHBondContact O-N 3.48Å
839	D	82.4	Confident	84	Confident	78 Å²	78	72.6 Å²	72.6	42%	0.417	45%	0.454	S	S	.	.	H	α-helix	trans	-58.9	-41.5	174.9	-57.3	-37.6	0	0	0	111.3	T836 A841 L842 A843	T836-D839 WeakPolarHBondContact CB-OD2 3.32Å; T836-D839 PolarHBondContact N-OD2 2.91Å; T836-D839 WeakPolarHBondContact O-CB 3.36Å; T836-D839 PolarHBondContact O-N 2.78Å; T836-D839 VanDerWaalsContact O-N 3.09Å; T836-D839 PolarHBondContact OG1-N 2.97Å; T836-D839 PolarHBondContact OG1-OD1 3.03Å; T836-D839 PolarHBondContact OG1-OD2 3.03Å; D839-A841 VanDerWaalsContact C-N 3.35Å; D839-A841 PolarHBondContact O-N 2.96Å; D839-L842 PolarHBondContact O-N 2.67Å; D839-A843 VanDerWaalsContact O-CB 3.25Å; D839-A843 WeakPolarHBondContact O-CB 3.25Å; D839-A843 PolarHBondContact O-N 2.98Å
840	M	83.8	Confident	84.1	Confident	38 Å²	38	71 Å²	71	19%	0.187	45%	0.445	C	S	.	.	H	α-helix	trans	-66.2	-34.3	175.9	-85.7	-71.1	-71.9	0	0	113.2	I829 A832 L833 T836 E838 K844	I829-M840 HydrophobicContact CG2-CE 4.46Å; A832-M840 HydrophobicContact CB-CG 4.29Å; A832-M840 HydrophobicContact CB-SD 3.74Å; A832-M840 WeakPolarHBondContact O-CG 3.5Å; L833-M840 HydrophobicContact CD2-CE 3.6Å; L833-M840 HydrophobicContact CD2-SD 4.05Å; L833-M840 HydrophobicContact CG-CE 4.35Å; L833-M840 HydrophobicContact CG-SD 4.26Å; T836-M840 PolarHBondContact O-N 3.31Å; E838-M840 VanDerWaalsContact C-N 3.28Å; E838-M840 PolarHBondContact O-N 2.98Å; M840-K844 WeakPolarHBondContact O-CB 3.26Å; M840-K844 VanDerWaalsContact O-CG 3.27Å; M840-K844 WeakPolarHBondContact O-CG 3.38Å; M840-K844 PolarHBondContact O-N 2.93Å
841	A	86.9	Confident	84.1	Confident	58 Å²	58	72.3 Å²	72.3	48%	0.479	45%	0.445	S	S	.	.	H	α-helix	trans	-70	-45.8	175.4	0	0	0	0	0	110.7	P837 E838 D839 K844 E845	P837-A841 PolarHBondContact O-N 2.89Å; P837-A841 VanDerWaalsContact O-N 3.07Å; E838-A841 WeakPolarHBondContact O-CB 3.49Å; E838-A841 PolarHBondContact O-N 2.84Å; D839-A841 VanDerWaalsContact C-N 3.35Å; D839-A841 PolarHBondContact O-N 2.96Å; A841-K844 PolarHBondContact O-N 3.44Å; A841-E845 PolarHBondContact O-N 3.09Å
842	L	86.5	Confident	84.3	Confident	112 Å²	112	71.9 Å²	71.9	59%	0.586	44%	0.442	S	S	*	.	H	α-helix	trans	-65.6	-38.5	179.4	-168.6	128.6	0	0	0	112.4	E838 D839 E845 S846	E838-L842 WeakPolarHBondContact O-CB 3.34Å; E838-L842 PolarHBondContact O-N 3.48Å; D839-L842 PolarHBondContact O-N 2.67Å; L842-E845 PolarHBondContact O-N 3.33Å; L842-S846 WeakPolarHBondContact O-CB 3.45Å; L842-S846 PolarHBondContact O-N 3.47Å; L842-S846 PolarHBondContact O-OG 3.42Å
843	A	85.7	Confident	84.6	Confident	14 Å²	14	75.7 Å²	75.7	12%	0.116	46%	0.458	C	S	.	.	H	α-helix	trans	-64.6	-40.8	173.9	0	0	0	0	0	112.2	A832 D839 S846 A847	A832-A843 HydrophobicContact CB-CB 3.45Å; A832-A843 VanDerWaalsContact CB-CB 3.45Å; D839-A843 VanDerWaalsContact O-CB 3.25Å; D839-A843 WeakPolarHBondContact O-CB 3.25Å; D839-A843 PolarHBondContact O-N 2.98Å; A843-S846 PolarHBondContact O-N 2.9Å; A843-A847 VanDerWaalsContact O-CB 3.24Å; A843-A847 WeakPolarHBondContact O-CB 3.05Å; A843-A847 PolarHBondContact O-N 3.36Å
844	K	88.1	Confident	85.2	Confident	116 Å²	116	76.2 Å²	76.2	50%	0.504	46%	0.461	S	S	.	.	H	α-helix	trans	-66	-40.1	175.4	-77.2	175.3	-179.4	178.5	0	112.3	I829 M840 A841 A848	I829-K844 HydrophobicContact CD1-CG 4.26Å; I829-K844 HydrophobicContact CG1-CG 4.12Å; I829-K844 HydrophobicContact CG2-CG 4.27Å; M840-K844 WeakPolarHBondContact O-CB 3.26Å; M840-K844 VanDerWaalsContact O-CG 3.27Å; M840-K844 WeakPolarHBondContact O-CG 3.38Å; M840-K844 PolarHBondContact O-N 2.93Å; A841-K844 PolarHBondContact O-N 3.44Å; K844-A848 WeakPolarHBondContact O-CB 3.38Å; K844-A848 PolarHBondContact O-N 3.26Å
845	E	88.5	Confident	86	Confident	144 Å²	144	74.6 Å²	74.6	67%	0.673	43%	0.433	S	S	*	.	H	α-helix	trans	-65.2	-45.1	176	-174.7	173.1	-173.4	0	0	111	A841 L842 A847 A848 A849	A841-E845 PolarHBondContact O-N 3.09Å; L842-E845 PolarHBondContact O-N 3.33Å; E845-A847 PolarHBondContact O-N 3.41Å; E845-A848 PolarHBondContact O-N 2.98Å; E845-A849 WeakPolarHBondContact O-CB 3.38Å; E845-A849 PolarHBondContact O-N 3.14Å
846	S	86.1	Confident	86.7	Confident	54 Å²	54	75.9 Å²	75.9	38%	0.378	43%	0.434	S	S	.	.	H	α-helix	trans	-61.7	-43.4	176.4	-58.2	0	0	0	0	112.2	L842 A843 A849 F850	L842-S846 WeakPolarHBondContact O-CB 3.45Å; L842-S846 PolarHBondContact O-N 3.47Å; L842-S846 PolarHBondContact O-OG 3.42Å; A843-S846 PolarHBondContact O-N 2.9Å; S846-A849 PolarHBondContact O-N 3.3Å; S846-F850 WeakPolarHBondContact O-CB 3.19Å; S846-F850 PolarHBondContact O-N 3.07Å
847	A	88.3	Confident	87.3	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.008	42%	0.423	C	S	.	.	H	α-helix	trans	-65.3	-38.6	176.3	0	0	0	0	0	112	A825 M828 I829 A843 E845 L851	A825-A847 HydrophobicContact CB-CB 4.11Å; M828-A847 HydrophobicContact CB-CB 4.44Å; I829-A847 HydrophobicContact CD1-CB 3.9Å; I829-A847 HydrophobicContact CG1-CB 3.78Å; A843-A847 VanDerWaalsContact O-CB 3.24Å; A843-A847 WeakPolarHBondContact O-CB 3.05Å; A843-A847 PolarHBondContact O-N 3.36Å; E845-A847 PolarHBondContact O-N 3.41Å; A847-L851 WeakPolarHBondContact O-CB 3.46Å; A847-L851 VanDerWaalsContact O-CG 3.28Å; A847-L851 WeakPolarHBondContact O-CG 3.43Å; A847-L851 PolarHBondContact O-N 3.23Å
848	A	90.3	Very high	87.7	Confident	56 Å²	56	72 Å²	72	46%	0.463	41%	0.412	S	S	.	.	H	α-helix	trans	-67.2	-42.6	174.8	0	0	0	0	0	111.9	K844 E845 L851 S852	K844-A848 WeakPolarHBondContact O-CB 3.38Å; K844-A848 PolarHBondContact O-N 3.26Å; E845-A848 PolarHBondContact O-N 2.98Å; A848-L851 PolarHBondContact O-N 2.84Å; A848-S852 WeakPolarHBondContact O-CB 3.36Å; A848-S852 PolarHBondContact O-N 2.87Å; A848-S852 PolarHBondContact O-OG 2.84Å
849	A	88.7	Confident	88.1	Confident	48 Å²	48	68.5 Å²	68.5	40%	0.397	40%	0.397	S	S	.	.	H	α-helix	trans	-59.1	-51.3	174.5	0	0	0	0	0	110.7	E845 S846 L851 S852 E853	E845-A849 WeakPolarHBondContact O-CB 3.38Å; E845-A849 PolarHBondContact O-N 3.14Å; S846-A849 PolarHBondContact O-N 3.3Å; A849-L851 PolarHBondContact O-N 2.82Å; A849-S852 CarbonylContact O-C 3.04Å; A849-S852 PolarHBondContact O-N 2.91Å; A849-S852 VanDerWaalsContact O-N 3.07Å; A849-S852 PolarHBondContact O-OG 3.07Å; A849-E853 WeakPolarHBondContact O-CB 3.49Å; A849-E853 PolarHBondContact O-N 2.93Å
850	F	88.2	Confident	88.6	Confident	18 Å²	18	65.1 Å²	65.1	8%	0.079	38%	0.379	C	S	.	.	H	α-helix	trans	-56.1	-46.4	176.2	174.3	-112.6	0	0	0	112.3	N276 L278 K821 M824 A825 M828 S846 S852 E853	N276-F850 HydrophobicContact CB-CD2 3.72Å; N276-F850 HydrophobicContact CB-CE2 3.54Å; N276-F850 HydrophobicContact CB-CG 4.48Å; N276-F850 HydrophobicContact CB-CZ 4.17Å; N276-F850 VanDerWaalsContact O-CE2 3.31Å; N276-F850 WeakPolarHBondContact O-CE2 3.4Å; L278-F850 HydrophobicContact CD2-CZ 4.23Å; L278-F850 HydrophobicContact CG-CZ 4.47Å; K821-F850 HydrophobicContact CB-CE1 4.41Å; K821-F850 WeakPolarHBondContact CE-O 3.31Å; K821-F850 HydrophobicContact CG-CD1 4.14Å; K821-F850 HydrophobicContact CG-CE1 3.42Å; K821-F850 VanDerWaalsContact CG-CE1 3.42Å; K821-F850 HydrophobicContact CG-CZ 3.71Å; K821-F850 PolarHBondContact NZ-O 3.1Å; K821-F850 WeakPolarHBondContact O-CE1 3.37Å; M824-F850 HydrophobicContact CB-CE1 4.06Å; M824-F850 HydrophobicContact CG-CE1 4.42Å; M824-F850 HydrophobicContact SD-CE1 4.14Å; M824-F850 HydrophobicContact SD-CZ 3.76Å; A825-F850 HydrophobicContact CB-CD1 4.33Å; M828-F850 HydrophobicContact CE-CB 4.47Å; M828-F850 HydrophobicContact CE-CD1 3.83Å; M828-F850 HydrophobicContact CE-CD2 4.44Å; M828-F850 HydrophobicContact CE-CE1 4.11Å; M828-F850 HydrophobicContact CE-CG 4Å; S846-F850 WeakPolarHBondContact O-CB 3.19Å; S846-F850 PolarHBondContact O-N 3.07Å; F850-S852 VanDerWaalsContact C-N 3.3Å; F850-S852 PolarHBondContact O-N 3Å; F850-E853 PolarHBondContact O-N 3.08Å
851	L	88.8	Confident	89	Confident	77 Å²	77	64.9 Å²	64.9	40%	0.403	39%	0.386	S	S	.	.	H	α-helix	trans	-61.9	-38.1	177.4	-75.3	171	0	0	0	112.4	K821 R822 A825 A847 A848 A849	K821-L851 HydrophobicContact CD-CD2 4.45Å; K821-L851 HydrophobicContact CG-CD2 4.16Å; K821-L851 PolarHBondContact NZ-O 3.07Å; R822-L851 HydrophobicContact CG-CD2 4.11Å; A825-L851 HydrophobicContact CB-CD1 3.76Å; A825-L851 HydrophobicContact CB-CD2 3.94Å; A825-L851 HydrophobicContact CB-CG 3.7Å; A847-L851 WeakPolarHBondContact O-CB 3.46Å; A847-L851 VanDerWaalsContact O-CG 3.28Å; A847-L851 WeakPolarHBondContact O-CG 3.43Å; A847-L851 PolarHBondContact O-N 3.23Å; A848-L851 PolarHBondContact O-N 2.84Å; A849-L851 PolarHBondContact O-N 2.82Å
852	S	88.3	Confident	89.3	Confident	97 Å²	97	62.8 Å²	62.8	68%	0.678	37%	0.369	S	S	*	.	H	α-helix	trans	-75.5	-28.7	179.1	73.8	0	0	0	0	114.1	A848 A849 F850 N854	A848-S852 WeakPolarHBondContact O-CB 3.36Å; A848-S852 PolarHBondContact O-N 2.87Å; A848-S852 PolarHBondContact O-OG 2.84Å; A849-S852 CarbonylContact O-C 3.04Å; A849-S852 PolarHBondContact O-N 2.91Å; A849-S852 VanDerWaalsContact O-N 3.07Å; A849-S852 PolarHBondContact O-OG 3.07Å; F850-S852 VanDerWaalsContact C-N 3.3Å; F850-S852 PolarHBondContact O-N 3Å; S852-N854 PolarHBondContact O-N 3.06Å
853	E	85.3	Confident	89.6	Confident	91 Å²	91	58.4 Å²	58.4	43%	0.425	35%	0.347	S	S	.	.			trans	-72.1	119.3	-176.7	-171.8	-177.4	155.9	0	0	110.8	K821 A849 F850 L855	K821-E853 PolarHBondContact NZ-O 3.17Å; A849-E853 WeakPolarHBondContact O-CB 3.49Å; A849-E853 PolarHBondContact O-N 2.93Å; F850-E853 PolarHBondContact O-N 3.08Å; E853-L855 HydrophobicContact CG-CD2 4.38Å; E853-L855 HydrophobicContact CG-CG 4.28Å
854	N	87	Confident	90	Very high	136 Å²	136	60 Å²	60	73%	0.727	35%	0.351	S	S	*	.			trans	-126.9	86.4	178.1	-170.5	36.7	0	0	0	109.8	S852	S852-N854 PolarHBondContact O-N 3.06Å
855	L	90.2	Very high	90.2	Very high	47 Å²	47	54.9 Å²	54.9	25%	0.246	33%	0.331	C	S	.	.			trans	-65.3	131.6	177.2	-62.8	174.5	0	0	0	110.2	P389 E853 E857 F860	P389-L855 HydrophobicContact CB-CD1 4.34Å; P389-L855 HydrophobicContact CG-CD1 3.59Å; E853-L855 HydrophobicContact CG-CD2 4.38Å; E853-L855 HydrophobicContact CG-CG 4.28Å; L855-E857 PolarHBondContact O-N 3.23Å; L855-E857 VanDerWaalsContact O-N 3.12Å; L855-F860 HydrophobicContact CB-CB 4.33Å; L855-F860 HydrophobicContact CB-CD2 3.82Å; L855-F860 HydrophobicContact CB-CE2 4.35Å; L855-F860 HydrophobicContact CB-CG 4.05Å; L855-F860 HydrophobicContact CD1-CD1 4.4Å; L855-F860 HydrophobicContact CD1-CG 4.41Å; L855-F860 HydrophobicContact CD2-CD2 4.35Å; L855-F860 HydrophobicContact CD2-CE2 4.08Å; L855-F860 HydrophobicContact CD2-CZ 4.16Å
856	P	92.9	Very high	90.3	Very high	69 Å²	69	48.2 Å²	48.2	45%	0.448	30%	0.3	S	S	.	.			trans	-62.3	113.4	177.7	-23.9	33.5	0	0	0	112.3	A858 I859 F860	P856-A858 PolarHBondContact O-N 3.41Å; P856-A858 VanDerWaalsContact O-N 3.11Å; P856-I859 HydrophobicContact CB-CD1 4.32Å; P856-I859 HydrophobicContact CB-CG1 4.47Å; P856-I859 PolarHBondContact O-N 2.94Å; P856-F860 PolarHBondContact O-N 3.11Å
857	E	92.6	Very high	90.5	Very high	39 Å²	39	51 Å²	51	18%	0.182	32%	0.317	C	S	.	.	H	α-helix	trans	-59.1	-26.7	-178.9	-65	-176.9	-179.3	0	0	113.4	P431 K817 L855 I859 G861 A862	P431-E857 HydrophobicContact CB-CB 3.78Å; P431-E857 HydrophobicContact CG-CB 4.07Å; P431-E857 WeakPolarHBondContact CG-O 3.42Å; K817-E857 IonicContact NZ-OE1 3.42Å; K817-E857 PolarHBondContact NZ-OE1 3.37Å; L855-E857 PolarHBondContact O-N 3.23Å; L855-E857 VanDerWaalsContact O-N 3.12Å; E857-I859 PolarHBondContact O-N 2.82Å; E857-G861 CarbonylContact O-C 3.52Å; E857-G861 WeakPolarHBondContact O-CA 3.49Å; E857-G861 PolarHBondContact O-N 2.93Å; E857-A862 HydrophobicContact CB-CB 4.34Å; E857-A862 HydrophobicContact CG-CB 4.48Å
858	A	90.4	Very high	90.6	Very high	63 Å²	63	51.4 Å²	51.4	52%	0.521	32%	0.322	S	S	.	.	H	α-helix	trans	-66.2	-25.1	176.9	0	0	0	0	0	113.2	P856	P856-A858 PolarHBondContact O-N 3.41Å; P856-A858 VanDerWaalsContact O-N 3.11Å
859	I	91.4	Very high	90.8	Very high	82 Å²	82	50.8 Å²	50.8	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-101.8	-48.8	-179.6	-59.2	173.7	0	0	0	109.9	P856 E857	P856-I859 HydrophobicContact CB-CD1 4.32Å; P856-I859 HydrophobicContact CB-CG1 4.47Å; P856-I859 PolarHBondContact O-N 2.94Å; E857-I859 PolarHBondContact O-N 2.82Å
860	F	93.6	Very high	91.3	Very high	7 Å²	7	48.9 Å²	48.9	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-88.9	-3.8	-174	-67.7	-86.3	0	0	0	114.2	R274 T332 P389 R390 L855 P856	R274-F860 VanDerWaalsContact CZ-O 3.28Å; R274-F860 PolarHBondContact NH1-O 3.16Å; R274-F860 PolarHBondContact NH2-O 2.84Å; T332-F860 HydrophobicContact CG2-CD1 3.88Å; T332-F860 HydrophobicContact CG2-CE1 4.41Å; T332-F860 HydrophobicContact CG2-CG 4.49Å; P389-F860 HydrophobicContact CB-CD1 3.92Å; P389-F860 HydrophobicContact CB-CE1 3.91Å; R390-F860 VanDerWaalsContact C-CZ 3.49Å; R390-F860 WeakPolarHBondContact O-CE1 3.5Å; R390-F860 WeakPolarHBondContact O-CZ 3.33Å; L855-F860 HydrophobicContact CB-CB 4.33Å; L855-F860 HydrophobicContact CB-CD2 3.82Å; L855-F860 HydrophobicContact CB-CE2 4.35Å; L855-F860 HydrophobicContact CB-CG 4.05Å; L855-F860 HydrophobicContact CD1-CD1 4.4Å; L855-F860 HydrophobicContact CD1-CG 4.41Å; L855-F860 HydrophobicContact CD2-CD2 4.35Å; L855-F860 HydrophobicContact CD2-CE2 4.08Å; L855-F860 HydrophobicContact CD2-CZ 4.16Å; P856-F860 PolarHBondContact O-N 3.11Å
861	G	91	Very high	91.7	Very high	33 Å²	33	48 Å²	48	34%	0.34	29%	0.289	S	S	.	.			trans	80.8	149.9	-172.6	0	0	0	0	0	112.8	E857	E857-G861 CarbonylContact O-C 3.52Å; E857-G861 WeakPolarHBondContact O-CA 3.49Å; E857-G861 PolarHBondContact O-N 2.93Å
862	A	92.4	Very high	92.1	Very high	15 Å²	15	44.5 Å²	44.5	12%	0.124	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-84	139.7	174.7	0	0	0	0	0	110.8	P431 E857	P431-A862 HydrophobicContact CG-CB 3.92Å; E857-A862 HydrophobicContact CB-CB 4.34Å; E857-A862 HydrophobicContact CG-CB 4.48Å
863	P	93.2	Very high	92.5	Very high	19 Å²	19	39.9 Å²	39.9	12%	0.123	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-65.2	137.7	-178.6	25.9	-33.7	0	0	0	112	L278 D279 Y812 K817	L278-P863 HydrophobicContact CB-CB 3.72Å; L278-P863 HydrophobicContact CB-CG 4.18Å; D279-P863 VanDerWaalsContact OD1-C 3.31Å; D279-P863 WeakPolarHBondContact OD1-CA 3.4Å; D279-P863 WeakPolarHBondContact OD1-CB 3.37Å; Y812-P863 HydrophobicContact CD2-CG 4.41Å; K817-P863 HydrophobicContact CD-CG 4.22Å
864	K	93.9	Very high	93.1	Very high	48 Å²	48	35.5 Å²	35.5	21%	0.209	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-90.2	118.6	-177.1	-62.1	-44.3	177.2	180	0	111.9	D279 D280 R283 N810 G866	D279-K864 CarbonylContact C-O 3.2Å; D279-K864 WeakPolarHBondContact CA-O 3.48Å; D279-K864 PolarHBondContact OD1-N 2.9Å; D280-K864 PolarHBondContact N-O 2.73Å; R283-K864 VanDerWaalsContact NH1-CB 3.31Å; N810-K864 WeakPolarHBondContact O-CA 3.36Å; N810-K864 WeakPolarHBondContact O-CD 3.37Å; K864-G866 PolarHBondContact O-N 2.79Å
865	A	92.7	Very high	93.6	Very high	8 Å²	8	30.1 Å²	30.1	7%	0.066	19%	0.187	C	C	.	.			trans	-84.1	-3.7	-169.6	0	0	0	0	0	116.7	N810 Y812 M869	N810-A865 PolarHBondContact O-N 3.21Å; N810-A865 PolarHBondContact OD1-N 3.36Å; Y812-A865 HydrophobicContact CD1-CB 3.55Å; Y812-A865 HydrophobicContact CD2-CB 3.69Å; Y812-A865 HydrophobicContact CE1-CB 3.4Å; Y812-A865 VanDerWaalsContact CE2-CA 3.48Å; Y812-A865 HydrophobicContact CE2-CB 3.54Å; Y812-A865 HydrophobicContact CG-CB 3.7Å; Y812-A865 VanDerWaalsContact CZ-CA 3.42Å; Y812-A865 VanDerWaalsContact CZ-CB 3.4Å; A865-M869 HydrophobicContact CB-CB 3.57Å; A865-M869 HydrophobicContact CB-CG 4Å; A865-M869 WeakPolarHBondContact O-CG 3.42Å
866	G	90.6	Very high	93.8	Very high	4 Å²	4	27.9 Å²	27.9	4%	0.041	18%	0.176	C	C	.	.			trans	96.6	166.6	-171	0	0	0	0	0	114.2	D280 N810 K864 G868 M869	D280-G866 VanDerWaalsContact OD2-CA 3.27Å; D280-G866 WeakPolarHBondContact OD2-CA 3.42Å; N810-G866 VanDerWaalsContact OD1-CA 3.29Å; N810-G866 WeakPolarHBondContact OD1-CA 3.37Å; N810-G866 PolarHBondContact OD1-N 3.47Å; N810-G866 PolarHBondContact OD1-O 2.81Å; K864-G866 PolarHBondContact O-N 2.79Å; G866-G868 PolarHBondContact O-N 2.88Å; G866-M869 PolarHBondContact O-N 2.93Å
867	P	89.8	Confident	93.9	Very high	113 Å²	113	24.8 Å²	24.8	73%	0.734	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	133.4	-179.9	27.2	-34	0	0	0	112.1	M869	P867-M869 VanDerWaalsContact C-N 3.34Å
868	G	91.3	Very high	93.8	Very high	10 Å²	10	25.5 Å²	25.5	10%	0.103	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	-6.5	176.7	0	0	0	0	0	113.9	H809 G866 W870	H809-G868 PolarHBondContact NE2-N 3.37Å; G866-G868 PolarHBondContact O-N 2.88Å; G868-W870 VanDerWaalsContact O-CD1 3.23Å
869	M	95.5	Very high	93.6	Very high	43 Å²	43	22.7 Å²	22.7	21%	0.212	13%	0.134	C	C	.	.			trans	-84	132.2	175.1	-64.4	-64.7	-84.7	0	0	111.3	H809 N810 Y812 A865 G866 P867 Q892 N893	H809-M869 CarbonylContact C-O 3.47Å; N810-M869 PolarHBondContact N-O 3.05Å; Y812-M869 HydrophobicContact CD1-CE 4.36Å; Y812-M869 HydrophobicContact CE1-CE 4.11Å; A865-M869 HydrophobicContact CB-CB 3.57Å; A865-M869 HydrophobicContact CB-CG 4Å; A865-M869 WeakPolarHBondContact O-CG 3.42Å; G866-M869 PolarHBondContact O-N 2.93Å; P867-M869 VanDerWaalsContact C-N 3.34Å; M869-Q892 HydrophobicContact CE-CG 3.83Å; M869-N893 VanDerWaalsContact CA-OD1 3.31Å; M869-N893 WeakPolarHBondContact CA-OD1 3.44Å; M869-N893 PolarHBondContact SD-OD1 2.78Å
870	W	97.2	Very high	93.4	Very high	8 Å²	8	22.2 Å²	22.2	3%	0.03	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.5	178.5	-61.6	80.1	0	0	0	113.5	T807 D808 H809 S811 G868 Q892 N893 A895 L921 L923	T807-W870 HydrophobicContact CG2-CE3 3.76Å; T807-W870 HydrophobicContact CG2-CZ3 4.1Å; D808-W870 VanDerWaalsContact C-CE3 3.45Å; D808-W870 WeakPolarHBondContact O-CA 3.39Å; H809-W870 HydrophobicContact CB-CD2 4.19Å; H809-W870 HydrophobicContact CB-CE3 3.9Å; H809-W870 HydrophobicContact CB-CH2 3.63Å; H809-W870 HydrophobicContact CB-CZ2 3.92Å; H809-W870 HydrophobicContact CB-CZ3 3.62Å; H809-W870 AromaticContact CD2-CE2 3.54Å; H809-W870 AromaticContact CD2-CZ2 3.54Å; H809-W870 AromaticContact CD2-NE1 3.76Å; H809-W870 AromaticContact CG-CZ2 4Å; S811-W870 CarbonylContact O-C 3.47Å; G868-W870 VanDerWaalsContact O-CD1 3.23Å; W870-Q892 PolarHBondContact O-NE2 2.82Å; W870-N893 PolarHBondContact N-OD1 2.79Å; W870-N893 VanDerWaalsContact N-OD1 3.1Å; W870-N893 PolarHBondContact O-N 3.4Å; W870-A895 HydrophobicContact CB-CB 4.04Å; W870-A895 HydrophobicContact CD2-CB 3.88Å; W870-A895 HydrophobicContact CE3-CB 3.84Å; W870-A895 HydrophobicContact CG-CB 3.99Å; W870-L921 HydrophobicContact CH2-CD2 4.08Å; W870-L921 HydrophobicContact CZ2-CB 4.22Å; W870-L921 HydrophobicContact CZ2-CD2 3.66Å; W870-L921 HydrophobicContact CZ2-CG 3.96Å; W870-L921 PolarHBondContact NE1-O 3.45Å; W870-L923 HydrophobicContact CH2-CD1 4.1Å; W870-L923 HydrophobicContact CH2-CD2 4.04Å; W870-L923 HydrophobicContact CH2-CG 4.25Å; W870-L923 HydrophobicContact CZ2-CD1 4.1Å; W870-L923 HydrophobicContact CZ2-CD2 3.88Å; W870-L923 HydrophobicContact CZ2-CG 3.87Å
871	A	97.4	Very high	93	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.8	168.5	0	0	0	0	0	110	Y788 T807 D808 Y812 T813	Y788-A871 HydrophobicContact CD1-CB 4.29Å; Y788-A871 HydrophobicContact CE1-CB 3.66Å; Y788-A871 HydrophobicContact CE2-CB 4.03Å; T807-A871 CarbonylContact C-O 3.55Å; T807-A871 WeakPolarHBondContact CA-O 3.34Å; D808-A871 PolarHBondContact N-O 2.94Å; D808-A871 PolarHBondContact O-N 2.75Å; Y812-A871 WeakPolarHBondContact O-CB 3.45Å; T813-A871 HydrophobicContact CG2-CB 3.98Å
872	S	97.6	Very high	92.8	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	149.6	-179.8	-170.5	0	0	0	0	112.6	E806 T807 F890 E894 A896	E806-S872 CarbonylContact O-C 3.47Å; E806-S872 WeakPolarHBondContact O-CA 3.29Å; E806-S872 PolarHBondContact O-OG 3.15Å; E806-S872 VanDerWaalsContact O-OG 3.05Å; T807-S872 PolarHBondContact OG1-OG 3.35Å; S872-F890 PolarHBondContact O-N 3.48Å; S872-E894 WeakPolarHBondContact CB-O 3.5Å; S872-A896 VanDerWaalsContact OG-CB 3.27Å; S872-A896 WeakPolarHBondContact OG-CB 3.41Å; S872-A896 PolarHBondContact OG-N 3.05Å; S872-A896 VanDerWaalsContact OG-N 3.09Å
873	L	97.2	Very high	92.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	162.9	173	66.4	78.5	0	0	0	112	Q787 Y788 E806 R875 I887 I888	Q787-L873 HydrophobicContact CB-CD2 4.18Å; Y788-L873 HydrophobicContact CD2-CD2 3.89Å; Y788-L873 HydrophobicContact CD2-CG 4.11Å; Y788-L873 HydrophobicContact CE2-CD2 3.91Å; Y788-L873 HydrophobicContact CE2-CG 4.42Å; E806-L873 HydrophobicContact CB-CD1 3.98Å; E806-L873 HydrophobicContact CB-CG 4.11Å; E806-L873 HydrophobicContact CG-CD1 3.92Å; E806-L873 PolarHBondContact N-O 3.09Å; E806-L873 PolarHBondContact O-N 2.86Å; E806-L873 WeakPolarHBondContact OE1-CD1 3.38Å; L873-R875 HydrophobicContact CD1-CB 4.02Å; L873-I887 HydrophobicContact CB-CG2 4.35Å; L873-I887 HydrophobicContact CD1-CG2 4.35Å; L873-I887 HydrophobicContact CD2-CG2 4.17Å; L873-I888 CarbonylContact C-O 3.57Å; L873-I888 WeakPolarHBondContact CA-O 3.37Å; L873-I888 WeakPolarHBondContact CB-O 3.47Å
874	L	97.5	Very high	92.9	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121	169.7	173.6	70.1	0	0	0	109.1	I804 I805 I888 F890 L899 L913 V915 Y936 L945	I804-L874 WeakPolarHBondContact O-CA 3.27Å; I805-L874 HydrophobicContact CG2-CD1 3.84Å; L874-I888 HydrophobicContact CB-CB 4.3Å; L874-I888 HydrophobicContact CD2-CD1 4.31Å; L874-I888 PolarHBondContact N-O 3.16Å; L874-I888 PolarHBondContact O-N 2.82Å; L874-F890 HydrophobicContact CB-CE2 3.93Å; L874-F890 HydrophobicContact CB-CZ 3.88Å; L874-L899 HydrophobicContact CD1-CD1 4.26Å; L874-L913 HydrophobicContact CD1-CD2 4.4Å; L874-L913 HydrophobicContact CD2-CD2 3.99Å; L874-V915 HydrophobicContact CD1-CG2 4.35Å; L874-V915 HydrophobicContact CD2-CG2 3.99Å; L874-Y936 HydrophobicContact CD2-CE2 4.28Å; L874-L945 HydrophobicContact CD2-CD1 3.48Å; L874-L945 VanDerWaalsContact CD2-CD1 3.48Å; L874-L945 HydrophobicContact CG-CD1 4.35Å
875	R	96.9	Very high	92.8	Very high	23 Å²	23	29.9 Å²	29.9	9%	0.087	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.8	178.8	-175.1	-178.6	-61.7	-88.1	-4.2	111	Y803 I804 E806 L873 F877 T884	Y803-R875 CarbonylContact C-O 3.57Å; Y803-R875 VanDerWaalsContact CA-O 3.31Å; Y803-R875 WeakPolarHBondContact CA-O 3.45Å; I804-R875 HydrophobicContact CB-CB 4.42Å; I804-R875 PolarHBondContact N-O 2.63Å; I804-R875 PolarHBondContact O-N 3.04Å; E806-R875 IonicContact OE1-CZ 3.63Å; E806-R875 IonicContact OE1-NE 3.62Å; E806-R875 PolarHBondContact OE1-NE 3.28Å; E806-R875 IonicContact OE1-NH2 3.95Å; E806-R875 PolarHBondContact OE1-NH2 2.84Å; E806-R875 IonicContact OE2-NH2 2.73Å; L873-R875 HydrophobicContact CD1-CB 4.02Å; R875-F877 HydrophobicContact CG-CB 4.25Å; R875-T884 HydrophobicContact CG-CG2 3.67Å; R875-T884 PolarHBondContact NH1-OG1 3.28Å
876	C	95.4	Very high	92.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.1	166.9	-50.3	0	0	0	0	107.9	T802 Y803 T884 C885 Q886	T802-C876 CarbonylContact O-C 3.58Å; Y803-C876 HydrophobicContact CD1-CB 4.21Å; Y803-C876 VanDerWaalsContact CD1-SG 3.51Å; Y803-C876 HydrophobicContact CE1-CB 4.16Å; Y803-C876 WeakPolarHBondContact CE1-SG 3.39Å; C876-T884 CarbonylContact O-C 3.55Å; C876-C885 HydrophobicContact CB-CB 4.15Å; C876-C885 PolarHBondContact O-N 2.94Å; C876-Q886 HydrophobicContact CB-CB 4.18Å; C876-Q886 PolarHBondContact N-O 3.48Å
877	F	93.4	Very high	93.2	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.013	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.7	-162.8	-177.8	-107.4	0	0	0	111.3	F435 Y784 T802 I804 R875 P879 G882	F435-F877 HydrophobicContact CB-CE1 4.22Å; F435-F877 HydrophobicContact CB-CZ 4.44Å; F435-F877 AromaticContact CD1-CE1 3.58Å; F435-F877 HydrophobicContact CD1-CE1 3.58Å; F435-F877 HydrophobicContact CD1-CZ 4.2Å; F435-F877 HydrophobicContact CD2-CD1 4.29Å; F435-F877 HydrophobicContact CD2-CE1 4.09Å; F435-F877 AromaticContact CE1-CE1 3.86Å; F435-F877 HydrophobicContact CE1-CE1 3.86Å; F435-F877 HydrophobicContact CE2-CD1 4.45Å; F435-F877 HydrophobicContact CE2-CE1 4.36Å; F435-F877 HydrophobicContact CG-CD1 4.33Å; F435-F877 AromaticContact CG-CE1 3.69Å; F435-F877 HydrophobicContact CG-CE1 3.69Å; F435-F877 HydrophobicContact CG-CZ 4.33Å; F435-F877 HydrophobicContact CZ-CE1 4.25Å; Y784-F877 HydrophobicContact CD2-CE1 4.22Å; Y784-F877 AromaticContact CD2-CZ 3.56Å; Y784-F877 HydrophobicContact CD2-CZ 3.56Å; Y784-F877 HydrophobicContact CE2-CZ 4.28Å; Y784-F877 HydrophobicContact CG-CE2 4.45Å; Y784-F877 AromaticContact CG-CZ 3.78Å; Y784-F877 HydrophobicContact CG-CZ 3.78Å; T802-F877 PolarHBondContact N-O 3.32Å; T802-F877 PolarHBondContact O-N 3.16Å; I804-F877 HydrophobicContact CD1-CB 4.04Å; I804-F877 HydrophobicContact CD1-CD1 4.12Å; I804-F877 HydrophobicContact CD1-CG 4.17Å; R875-F877 HydrophobicContact CG-CB 4.25Å; F877-P879 HydrophobicContact CD1-CG 4.42Å; F877-P879 WeakPolarHBondContact O-CD 3.33Å; F877-G882 VanDerWaalsContact CE2-O 3.29Å; F877-G882 WeakPolarHBondContact CE2-O 3.29Å
878	K	91.6	Very high	93.5	Very high	54 Å²	54	30.8 Å²	30.8	24%	0.235	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	108.5	173.2	-75.6	177.2	175.5	177.3	0	109.4	I801 L880 G882 S883 C885 E943	I801-K878 HydrophobicContact CG1-CG 4.24Å; K878-L880 PolarHBondContact O-N 2.96Å; K878-G882 WeakPolarHBondContact O-CA 3.49Å; K878-G882 PolarHBondContact O-N 2.85Å; K878-S883 PolarHBondContact N-O 2.74Å; K878-C885 WeakPolarHBondContact CE-SG 3.37Å; K878-E943 WeakPolarHBondContact CE-OE1 3.39Å; K878-E943 IonicContact NZ-OE1 2.94Å; K878-E943 PolarHBondContact NZ-OE1 3.48Å
879	P	86.4	Confident	93.7	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.026	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-35.4	-172.4	-27.2	36.5	0	0	0	116	F435 Y784 F795 N800 T802 F877	F435-P879 HydrophobicContact CE1-CB 4.06Å; F435-P879 HydrophobicContact CZ-CB 3.93Å; F435-P879 HydrophobicContact CZ-CG 4.25Å; Y784-P879 WeakPolarHBondContact CE2-O 3.49Å; F795-P879 HydrophobicContact CE1-CG 3.86Å; N800-P879 WeakPolarHBondContact O-CD 3.46Å; T802-P879 WeakPolarHBondContact OG1-CG 3.15Å; F877-P879 HydrophobicContact CD1-CG 4.42Å; F877-P879 WeakPolarHBondContact O-CD 3.33Å
880	L	86	Confident	93.8	Very high	73 Å²	73	33.6 Å²	33.6	38%	0.382	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-44	-176.1	-60.5	178	0	0	0	111.4	F415 A416 L437 Y784 K878	F415-L880 HydrophobicContact CB-CD2 4.38Å; A416-L880 HydrophobicContact CB-CD2 3.77Å; L437-L880 HydrophobicContact CD2-CD2 4.25Å; Y784-L880 PolarHBondContact OH-O 2.92Å; K878-L880 PolarHBondContact O-N 2.96Å
881	D	85.1	Confident	93.7	Very high	114 Å²	114	36.5 Å²	36.5	61%	0.61	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-15.7	-175.4	-52.6	-22.4	0	0	0	113.2	S883	D881-S883 PolarHBondContact O-N 3.35Å
882	G	88.2	Confident	93.7	Very high	19 Å²	19	38.3 Å²	38.3	20%	0.196	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	7	-173.1	0	0	0	0	0	115	F877 K878	F877-G882 VanDerWaalsContact CE2-O 3.29Å; F877-G882 WeakPolarHBondContact CE2-O 3.29Å; K878-G882 WeakPolarHBondContact O-CA 3.49Å; K878-G882 PolarHBondContact O-N 2.85Å
883	S	92.7	Very high	93.6	Very high	49 Å²	49	39.7 Å²	39.7	34%	0.343	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	139.3	-174.5	64.5	0	0	0	0	112.1	K878 D881	K878-S883 PolarHBondContact N-O 2.74Å; D881-S883 PolarHBondContact O-N 3.35Å
884	T	94.1	Very high	93.5	Very high	55 Å²	55	40.5 Å²	40.5	34%	0.337	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	120.2	172.5	-63.9	0	0	0	0	109.7	R875 C876 I887	R875-T884 HydrophobicContact CG-CG2 3.67Å; R875-T884 PolarHBondContact NH1-OG1 3.28Å; C876-T884 CarbonylContact O-C 3.55Å; T884-I887 HydrophobicContact CG2-CD1 4.01Å; T884-I887 HydrophobicContact CG2-CG1 3.52Å
885	C	92.6	Very high	93.5	Very high	46 Å²	46	40.5 Å²	40.5	31%	0.311	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-44.3	179.4	-62.4	0	0	0	0	112.4	C876 K878	C876-C885 HydrophobicContact CB-CB 4.15Å; C876-C885 PolarHBondContact O-N 2.94Å; K878-C885 WeakPolarHBondContact CE-SG 3.37Å
886	Q	94.9	Very high	93.5	Very high	50 Å²	50	39.4 Å²	39.4	23%	0.234	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	142.8	-177.6	-172.3	-178.4	8.4	0	0	110.1	C876 I888	C876-Q886 HydrophobicContact CB-CB 4.18Å; C876-Q886 PolarHBondContact N-O 3.48Å; Q886-I888 HydrophobicContact CG-CG1 4.42Å
887	I	96	Very high	93.5	Very high	64 Å²	64	41 Å²	41	33%	0.328	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.7	170.3	-59.3	177	0	0	0	108	L873 T884 R889	L873-I887 HydrophobicContact CB-CG2 4.35Å; L873-I887 HydrophobicContact CD1-CG2 4.35Å; L873-I887 HydrophobicContact CD2-CG2 4.17Å; T884-I887 HydrophobicContact CG2-CD1 4.01Å; T884-I887 HydrophobicContact CG2-CG1 3.52Å; I887-R889 HydrophobicContact CG2-CG 4.09Å
888	I	96.5	Very high	93.6	Very high	29 Å²	29	41 Å²	41	15%	0.149	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	111.6	171.3	-63.3	174.8	0	0	0	107.2	L873 L874 Q886 F890 Y936 L945	L873-I888 CarbonylContact C-O 3.57Å; L873-I888 WeakPolarHBondContact CA-O 3.37Å; L873-I888 WeakPolarHBondContact CB-O 3.47Å; L874-I888 HydrophobicContact CB-CB 4.3Å; L874-I888 HydrophobicContact CD2-CD1 4.31Å; L874-I888 PolarHBondContact N-O 3.16Å; L874-I888 PolarHBondContact O-N 2.82Å; Q886-I888 HydrophobicContact CG-CG1 4.42Å; I888-F890 HydrophobicContact CG2-CE1 4.23Å; I888-Y936 HydrophobicContact CD1-CD1 4.16Å; I888-Y936 HydrophobicContact CD1-CE1 3.76Å; I888-L945 HydrophobicContact CD1-CB 3.94Å; I888-L945 HydrophobicContact CD1-CD1 4.11Å
889	R	96.4	Very high	93.8	Very high	105 Å²	105	39 Å²	39	40%	0.396	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	131.9	178.3	-60.7	-173.4	178.1	-72.9	1	109.7	Q787 D814 I887	Q787-R889 VanDerWaalsContact OE1-NH2 3.16Å; D814-R889 IonicContact OD2-CZ 3.87Å; D814-R889 IonicContact OD2-NE 3.26Å; D814-R889 IonicContact OD2-NH1 3.63Å; D814-R889 PolarHBondContact OD2-NH1 2.94Å; D814-R889 IonicContact OD2-NH2 3.38Å; D814-R889 PolarHBondContact OD2-NH2 3.33Å; I887-R889 HydrophobicContact CG2-CG 4.09Å
890	F	96.4	Very high	94.3	Very high	7 Å²	7	40 Å²	40	3%	0.031	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-88.8	152.3	174.2	-61.2	-59.6	0	0	0	110.6	S872 L874 I888 E894 A896 V915 L917 K934 Y936	S872-F890 PolarHBondContact O-N 3.48Å; L874-F890 HydrophobicContact CB-CE2 3.93Å; L874-F890 HydrophobicContact CB-CZ 3.88Å; I888-F890 HydrophobicContact CG2-CE1 4.23Å; F890-E894 HydrophobicContact CB-CB 4.29Å; F890-A896 HydrophobicContact CD2-CB 4.27Å; F890-A896 HydrophobicContact CE2-CB 3.91Å; F890-V915 HydrophobicContact CE2-CG1 4.49Å; F890-V915 HydrophobicContact CZ-CG1 4.13Å; F890-L917 HydrophobicContact CB-CD2 4.05Å; F890-L917 HydrophobicContact CD1-CD2 3.55Å; F890-L917 HydrophobicContact CD2-CD2 3.72Å; F890-L917 HydrophobicContact CE1-CD1 4.44Å; F890-L917 HydrophobicContact CE1-CD2 3.84Å; F890-L917 HydrophobicContact CE2-CD2 4.01Å; F890-L917 HydrophobicContact CG-CD2 3.48Å; F890-L917 VanDerWaalsContact CG-CD2 3.48Å; F890-L917 HydrophobicContact CZ-CD2 4.07Å; F890-K934 HydrophobicContact CD1-CD 4.21Å; F890-K934 HydrophobicContact CE1-CD 3.89Å; F890-Y936 WeakPolarHBondContact CE1-OH 3.17Å
891	P	95.8	Very high	94.7	Very high	70 Å²	70	37.8 Å²	37.8	46%	0.455	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-56.7	158	172.4	-22.7	33.1	0	0	0	112.4	N893 E894	P891-N893 PolarHBondContact O-N 2.79Å; P891-E894 HydrophobicContact CB-CG 4.32Å; P891-E894 WeakPolarHBondContact CD-OE2 3.11Å; P891-E894 PolarHBondContact O-N 3.4Å; P891-E894 VanDerWaalsContact O-N 3.17Å
892	Q	96.1	Very high	95.1	Very high	38 Å²	38	32.4 Å²	32.4	18%	0.178	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	139	172.7	-171.1	63.6	42	0	0	110.8	S811 T813 V816 M869 W870 E894	S811-Q892 PolarHBondContact O-NE2 3.41Å; T813-Q892 HydrophobicContact CG2-CB 4.45Å; T813-Q892 PolarHBondContact OG1-OE1 2.88Å; V816-Q892 HydrophobicContact CG2-CB 3.82Å; V816-Q892 HydrophobicContact CG2-CG 4.06Å; M869-Q892 HydrophobicContact CE-CG 3.83Å; W870-Q892 PolarHBondContact O-NE2 2.82Å; Q892-E894 PolarHBondContact O-N 2.79Å
893	N	96.2	Very high	95.4	Very high	30 Å²	30	36.9 Å²	36.9	16%	0.16	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	9.8	-179.8	-56	-9.4	0	0	0	115.5	M869 W870 P891 K919 D920	M869-N893 VanDerWaalsContact CA-OD1 3.31Å; M869-N893 WeakPolarHBondContact CA-OD1 3.44Å; M869-N893 PolarHBondContact SD-OD1 2.78Å; W870-N893 PolarHBondContact N-OD1 2.79Å; W870-N893 VanDerWaalsContact N-OD1 3.1Å; W870-N893 PolarHBondContact O-N 3.4Å; P891-N893 PolarHBondContact O-N 2.79Å; N893-K919 WeakPolarHBondContact O-CA 3.13Å; N893-D920 WeakPolarHBondContact CB-OD1 3.43Å; N893-D920 PolarHBondContact ND2-OD1 3.35Å; N893-D920 PolarHBondContact O-N 2.72Å
894	E	96.3	Very high	95.4	Very high	17 Å²	17	34.6 Å²	34.6	8%	0.079	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	105.2	162.7	-63.1	-163.1	167.1	0	0	110.2	S872 F890 P891 Q892 L917 V918 K919 K934	S872-E894 WeakPolarHBondContact CB-O 3.5Å; F890-E894 HydrophobicContact CB-CB 4.29Å; P891-E894 HydrophobicContact CB-CG 4.32Å; P891-E894 WeakPolarHBondContact CD-OE2 3.11Å; P891-E894 PolarHBondContact O-N 3.4Å; P891-E894 VanDerWaalsContact O-N 3.17Å; Q892-E894 PolarHBondContact O-N 2.79Å; E894-L917 HydrophobicContact CB-CD2 3.93Å; E894-V918 WeakPolarHBondContact CA-O 3.49Å; E894-K919 HydrophobicContact CG-CD 4.36Å; E894-K919 HydrophobicContact CG-CG 4.27Å; E894-K919 VanDerWaalsContact OE1-CE 3.28Å; E894-K919 WeakPolarHBondContact OE1-CE 3.45Å; E894-K919 IonicContact OE1-NZ 3.08Å; E894-K919 PolarHBondContact OE1-NZ 3.42Å; E894-K934 IonicContact OE2-NZ 3.02Å; E894-K934 PolarHBondContact OE2-NZ 3.08Å
895	A	96.9	Very high	95.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.2	-176.7	0	0	0	0	0	111.5	T807 W870 H897 L917 V918	T807-A895 HydrophobicContact CG2-CB 3.58Å; W870-A895 HydrophobicContact CB-CB 4.04Å; W870-A895 HydrophobicContact CD2-CB 3.88Å; W870-A895 HydrophobicContact CE3-CB 3.84Å; W870-A895 HydrophobicContact CG-CB 3.99Å; A895-H897 PolarHBondContact O-CD2 2.75Å; A895-H897 VanDerWaalsContact O-CD2 3.26Å; A895-L917 CarbonylContact O-C 3.39Å; A895-L917 VanDerWaalsContact O-CA 3.24Å; A895-L917 WeakPolarHBondContact O-CA 3.19Å; A895-V918 HydrophobicContact CB-CG1 3.78Å; A895-V918 PolarHBondContact N-O 3.08Å; A895-V918 PolarHBondContact O-N 3.26Å
896	A	97.3	Very high	95	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	132.8	176	0	0	0	0	0	111.6	I805 T807 S872 F890 V915 A916 L917	I805-A896 HydrophobicContact CB-CB 4.03Å; I805-A896 HydrophobicContact CD1-CB 4.36Å; I805-A896 HydrophobicContact CG2-CB 3.91Å; T807-A896 WeakPolarHBondContact CB-O 3.36Å; T807-A896 PolarHBondContact OG1-N 3.35Å; T807-A896 PolarHBondContact OG1-O 3.05Å; S872-A896 VanDerWaalsContact OG-CB 3.27Å; S872-A896 WeakPolarHBondContact OG-CB 3.41Å; S872-A896 PolarHBondContact OG-N 3.05Å; S872-A896 VanDerWaalsContact OG-N 3.09Å; F890-A896 HydrophobicContact CD2-CB 4.27Å; F890-A896 HydrophobicContact CE2-CB 3.91Å; A896-V915 HydrophobicContact CB-CG1 4.02Å; A896-A916 WeakPolarHBondContact CA-O 3.37Å; A896-L917 HydrophobicContact CB-CD2 4.39Å; A896-L917 HydrophobicContact CB-CG 4.28Å
897	H	94.3	Very high	94.8	Very high	35 Å²	35	40.3 Å²	40.3	16%	0.162	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-26.4	-176.7	-75.6	-78.3	0	0	0	115.1	A895 A916 V918 F956	A895-H897 PolarHBondContact O-CD2 2.75Å; A895-H897 VanDerWaalsContact O-CD2 3.26Å; H897-A916 PolarHBondContact N-O 3.47Å; H897-V918 VanDerWaalsContact CD2-CG1 3.45Å; H897-V918 WeakPolarHBondContact CD2-CG1 3.4Å; H897-V918 WeakPolarHBondContact NE2-CG1 3.34Å; H897-F956 HydrophobicContact CB-CE2 3.75Å; H897-F956 HydrophobicContact CB-CZ 4.01Å; H897-F956 AromaticContact CD2-CE2 3.45Å; H897-F956 VanDerWaalsContact CD2-CE2 3.45Å; H897-F956 WeakPolarHBondContact CD2-CE2 3.47Å; H897-F956 AromaticContact CD2-CZ 3.71Å; H897-F956 AromaticContact CG-CE2 3.59Å; H897-F956 AromaticContact CG-CZ 3.62Å; H897-F956 AromaticContact ND1-CZ 3.91Å
898	A	96	Very high	94.2	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.025	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	149.6	177.5	0	0	0	0	0	111.3	A916 L960	A898-A916 HydrophobicContact CB-CB 4.21Å; A898-A916 PolarHBondContact O-N 2.98Å; A898-L960 HydrophobicContact CB-CB 4.46Å; A898-L960 HydrophobicContact CB-CD1 4.2Å; A898-L960 HydrophobicContact CB-CG 3.98Å
899	L	96.4	Very high	93.7	Very high	12 Å²	12	45.2 Å²	45.2	6%	0.063	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	149.6	173	72.2	171.1	0	0	0	110.2	K792 V794 Y803 I805 L874 L913 V914 V915	K792-L899 HydrophobicContact CB-CD2 3.64Å; V794-L899 HydrophobicContact CG1-CG 4.1Å; V794-L899 HydrophobicContact CG2-CD1 3.7Å; V794-L899 HydrophobicContact CG2-CG 3.93Å; Y803-L899 WeakPolarHBondContact O-CD1 3.35Å; I805-L899 HydrophobicContact CD1-CD2 3.89Å; I805-L899 HydrophobicContact CG1-CD2 3.82Å; I805-L899 HydrophobicContact CG2-CD1 4.21Å; I805-L899 HydrophobicContact CG2-CD2 4.39Å; L874-L899 HydrophobicContact CD1-CD1 4.26Å; L899-L913 HydrophobicContact CB-CD1 4.48Å; L899-L913 HydrophobicContact CD1-CD1 4.38Å; L899-V914 CarbonylContact C-O 3.51Å; L899-V914 WeakPolarHBondContact CA-O 3.26Å; L899-V915 HydrophobicContact CB-CG2 4.14Å
900	T	96	Very high	93.4	Very high	24 Å²	24	42.7 Å²	42.7	15%	0.147	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	156.8	174.2	-161.3	0	0	0	0	111.2	V902 V914 L960 L967	T900-V902 HydrophobicContact CG2-CG2 3.92Å; T900-V914 PolarHBondContact N-O 3.28Å; T900-V914 PolarHBondContact O-N 2.69Å; T900-L960 HydrophobicContact CG2-CB 3.67Å; T900-L960 HydrophobicContact CG2-CD1 4.4Å; T900-L967 HydrophobicContact CG2-CD1 3.58Å
901	F	94.2	Very high	93.1	Very high	26 Å²	26	43.5 Å²	43.5	11%	0.114	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	139.3	170.5	-66.5	-66.2	0	0	0	111.4	V794 F795 H796 Y803 Q911 F912 L913 I938 A962	V794-F901 HydrophobicContact CB-CD2 4.1Å; V794-F901 HydrophobicContact CB-CE2 3.71Å; V794-F901 HydrophobicContact CG2-CD2 3.9Å; V794-F901 HydrophobicContact CG2-CE2 3.36Å; V794-F901 HydrophobicContact CG2-CZ 3.76Å; F795-F901 WeakPolarHBondContact O-CE2 3.43Å; H796-F901 HydrophobicContact CB-CZ 4.34Å; Y803-F901 AromaticContact CD2-CE1 3.97Å; Y803-F901 HydrophobicContact CD2-CE1 3.97Å; Y803-F901 HydrophobicContact CD2-CE2 4.39Å; Y803-F901 AromaticContact CD2-CZ 3.38Å; Y803-F901 HydrophobicContact CD2-CZ 3.38Å; Y803-F901 AromaticContact CE2-CE1 3.76Å; Y803-F901 HydrophobicContact CE2-CE1 3.76Å; Y803-F901 AromaticContact CE2-CZ 3.41Å; Y803-F901 HydrophobicContact CE2-CZ 3.41Å; Y803-F901 VanDerWaalsContact CE2-CZ 3.41Å; Y803-F901 HydrophobicContact CG-CZ 4.43Å; F901-Q911 HydrophobicContact CB-CG 4.13Å; F901-Q911 VanDerWaalsContact CB-NE2 3.29Å; F901-Q911 HydrophobicContact CD1-CG 4.1Å; F901-Q911 HydrophobicContact CG-CG 4.4Å; F901-F912 CarbonylContact C-O 3.53Å; F901-F912 WeakPolarHBondContact CA-O 3.18Å; F901-L913 HydrophobicContact CD1-CB 4.22Å; F901-L913 HydrophobicContact CD1-CD1 3.81Å; F901-L913 HydrophobicContact CE1-CB 4.21Å; F901-L913 HydrophobicContact CE1-CD1 3.67Å; F901-L913 HydrophobicContact CE1-CG 4.46Å; F901-L913 HydrophobicContact CG-CD1 4.47Å; F901-L913 HydrophobicContact CZ-CD1 4.22Å; F901-I938 HydrophobicContact CD1-CD1 3.62Å; F901-I938 HydrophobicContact CE1-CD1 3.41Å; F901-I938 VanDerWaalsContact CE1-CD1 3.41Å; F901-A962 VanDerWaalsContact O-CB 3.23Å; F901-A962 WeakPolarHBondContact O-CB 3.42Å
902	V	93.9	Very high	93	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	129.1	174.8	-169.9	0	0	0	0	109.9	T900 F904 F912 V914 A962 L967	T900-V902 HydrophobicContact CG2-CG2 3.92Å; V902-F904 HydrophobicContact CB-CD2 4.19Å; V902-F904 HydrophobicContact CB-CE1 4.5Å; V902-F904 HydrophobicContact CB-CE2 3.82Å; V902-F904 HydrophobicContact CB-CZ 3.99Å; V902-F904 HydrophobicContact CG1-CD1 3.88Å; V902-F904 HydrophobicContact CG1-CD2 3.97Å; V902-F904 HydrophobicContact CG1-CE1 3.78Å; V902-F904 HydrophobicContact CG1-CE2 3.87Å; V902-F904 HydrophobicContact CG1-CG 3.98Å; V902-F904 HydrophobicContact CG1-CZ 3.78Å; V902-F904 HydrophobicContact CG2-CZ 4.41Å; V902-F912 PolarHBondContact N-O 2.87Å; V902-F912 PolarHBondContact O-N 2.78Å; V902-V914 HydrophobicContact CG2-CG2 4.44Å; V902-A962 HydrophobicContact CG1-CB 4.49Å; V902-A962 HydrophobicContact CG2-CB 4.07Å; V902-L967 HydrophobicContact CG2-CB 4.24Å; V902-L967 HydrophobicContact CG2-CD1 3.63Å; V902-L967 HydrophobicContact CG2-CG 4.48Å
903	K	93.5	Very high	93	Very high	113 Å²	113	38.6 Å²	38.6	49%	0.491	21%	0.213	S	C	.	.			trans	-95.2	103.1	162.9	-65.7	-174.8	-180	-178.2	0	107.4	Q911 G965	K903-Q911 HydrophobicContact CG-CB 4.18Å; K903-Q911 HydrophobicContact CG-CG 4.22Å; K903-G965 VanDerWaalsContact O-CA 3.27Å; K903-G965 WeakPolarHBondContact O-CA 3.35Å
904	F	94.6	Very high	93.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.			trans	-76.8	144.1	-176.1	-72.8	-81.9	0	0	0	111.2	V902 N906 H907 F912 G965 L967 L980 L985	V902-F904 HydrophobicContact CB-CD2 4.19Å; V902-F904 HydrophobicContact CB-CE1 4.5Å; V902-F904 HydrophobicContact CB-CE2 3.82Å; V902-F904 HydrophobicContact CB-CZ 3.99Å; V902-F904 HydrophobicContact CG1-CD1 3.88Å; V902-F904 HydrophobicContact CG1-CD2 3.97Å; V902-F904 HydrophobicContact CG1-CE1 3.78Å; V902-F904 HydrophobicContact CG1-CE2 3.87Å; V902-F904 HydrophobicContact CG1-CG 3.98Å; V902-F904 HydrophobicContact CG1-CZ 3.78Å; V902-F904 HydrophobicContact CG2-CZ 4.41Å; F904-N906 PolarHBondContact O-N 2.89Å; F904-N906 VanDerWaalsContact O-N 3.11Å; F904-H907 CarbonylContact O-C 3.5Å; F904-H907 PolarHBondContact O-N 2.78Å; F904-F912 HydrophobicContact CD2-CB 4.33Å; F904-F912 AromaticContact CD2-CD2 3.63Å; F904-F912 HydrophobicContact CD2-CD2 3.63Å; F904-F912 HydrophobicContact CD2-CE2 4.24Å; F904-F912 HydrophobicContact CD2-CG 4.13Å; F904-F912 HydrophobicContact CE2-CB 4.15Å; F904-F912 HydrophobicContact CE2-CD2 4.29Å; F904-F912 HydrophobicContact CE2-CG 4.34Å; F904-G965 CarbonylContact C-O 3.54Å; F904-G965 WeakPolarHBondContact CA-O 3.29Å; F904-L967 HydrophobicContact CE1-CB 4.06Å; F904-L967 HydrophobicContact CZ-CB 4.14Å; F904-L980 HydrophobicContact CB-CB 3.91Å; F904-L980 HydrophobicContact CB-CD2 4.23Å; F904-L980 HydrophobicContact CD1-CB 3.69Å; F904-L980 HydrophobicContact CD2-CB 3.72Å; F904-L980 HydrophobicContact CD2-CD1 4.28Å; F904-L980 HydrophobicContact CD2-CD2 3.83Å; F904-L980 HydrophobicContact CD2-CG 4.16Å; F904-L980 HydrophobicContact CE1-CB 4.06Å; F904-L980 HydrophobicContact CE2-CB 4.08Å; F904-L980 HydrophobicContact CE2-CD1 4.12Å; F904-L980 HydrophobicContact CE2-CD2 4.47Å; F904-L980 HydrophobicContact CE2-CG 4.46Å; F904-L980 HydrophobicContact CG-CB 3.5Å; F904-L980 HydrophobicContact CG-CD2 4.19Å; F904-L980 HydrophobicContact CG-CG 4.39Å; F904-L980 HydrophobicContact CZ-CB 4.23Å; F904-L985 HydrophobicContact CZ-CD2 4.01Å
905	N	90.9	Very high	93.1	Very high	94 Å²	94	36.3 Å²	36.3	50%	0.503	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.4	179.7	-73.9	-32.9	0	0	0	113.3	H907 Q964 G965	N905-H907 VanDerWaalsContact C-N 3.27Å; N905-H907 PolarHBondContact O-N 3.02Å; N905-Q964 PolarHBondContact ND2-O 2.91Å; N905-G965 PolarHBondContact N-O 2.83Å; N905-G965 WeakPolarHBondContact OD1-CA 3.43Å
906	N	87.4	Confident	93.2	Very high	91 Å²	91	36.3 Å²	36.3	49%	0.487	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-22	177.6	-60.1	-22.3	0	0	0	112.5	F904 D979 L980	F904-N906 PolarHBondContact O-N 2.89Å; F904-N906 VanDerWaalsContact O-N 3.11Å; N906-D979 PolarHBondContact ND2-OD1 2.81Å; N906-L980 PolarHBondContact ND2-O 3.32Å
907	H	89.3	Confident	93.2	Very high	86 Å²	86	36.3 Å²	36.3	40%	0.398	20%	0.202	S	C	.	.	S	Bend	trans	-141	67.4	-178.4	-71.2	-90.1	0	0	0	110.2	F904 N905 A909 E910 F912	F904-H907 CarbonylContact O-C 3.5Å; F904-H907 PolarHBondContact O-N 2.78Å; N905-H907 VanDerWaalsContact C-N 3.27Å; N905-H907 PolarHBondContact O-N 3.02Å; H907-A909 VanDerWaalsContact C-N 3.27Å; H907-A909 PolarHBondContact O-N 3.11Å; H907-E910 HydrophobicContact CB-CB 4.35Å; H907-E910 PolarHBondContact O-N 3.4Å; H907-E910 VanDerWaalsContact O-N 3.16Å; H907-F912 HydrophobicContact CB-CE2 3.76Å; H907-F912 HydrophobicContact CB-CZ 3.9Å
908	P	84.3	Confident	93.3	Very high	94 Å²	94	34.7 Å²	34.7	61%	0.61	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.8	-169.1	27.9	-35.4	0	0	0	113.9	E910	P908-E910 VanDerWaalsContact C-N 3.33Å
909	A	85.8	Confident	93.3	Very high	103 Å²	103	37.2 Å²	37.2	85%	0.851	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-14.4	177.9	0	0	0	0	0	113.1	H907	H907-A909 VanDerWaalsContact C-N 3.27Å; H907-A909 PolarHBondContact O-N 3.11Å
910	E	89.3	Confident	93.2	Very high	51 Å²	51	40.2 Å²	40.2	24%	0.238	22%	0.221	C	C	.	.			trans	-110.2	144.4	-175.7	-62	179.4	-161.1	0	0	110.4	H907 P908 F912 R937	H907-E910 HydrophobicContact CB-CB 4.35Å; H907-E910 PolarHBondContact O-N 3.4Å; H907-E910 VanDerWaalsContact O-N 3.16Å; P908-E910 VanDerWaalsContact C-N 3.33Å; E910-F912 HydrophobicContact CB-CE2 3.74Å; E910-F912 HydrophobicContact CB-CZ 3.81Å; E910-F912 WeakPolarHBondContact OE2-CZ 3.32Å; E910-R937 VanDerWaalsContact CD-CZ 3.41Å; E910-R937 IonicContact OE1-CZ 2.83Å; E910-R937 IonicContact OE1-NH1 3.21Å; E910-R937 IonicContact OE1-NH2 3.27Å; E910-R937 PolarHBondContact OE1-NH2 2.99Å; E910-R937 IonicContact OE2-CZ 2.75Å; E910-R937 IonicContact OE2-NE 3.81Å; E910-R937 PolarHBondContact OE2-NE 2.81Å; E910-R937 IonicContact OE2-NH1 2.77Å; E910-R937 IonicContact OE2-NH2 2.85Å; E910-R937 PolarHBondContact OE2-NH2 2.86Å; E910-R937 VanDerWaalsContact OE2-NH2 3.12Å
911	Q	89.7	Confident	93.2	Very high	25 Å²	25	39.3 Å²	39.3	12%	0.117	22%	0.215	C	C	.	.			trans	-110.7	132.4	174.8	-171.3	165	-27.2	0	0	109.1	F901 K903 I938	F901-Q911 HydrophobicContact CB-CG 4.13Å; F901-Q911 VanDerWaalsContact CB-NE2 3.29Å; F901-Q911 HydrophobicContact CD1-CG 4.1Å; F901-Q911 HydrophobicContact CG-CG 4.4Å; K903-Q911 HydrophobicContact CG-CB 4.18Å; K903-Q911 HydrophobicContact CG-CG 4.22Å; Q911-I938 HydrophobicContact CB-CD1 4.11Å; Q911-I938 HydrophobicContact CG-CD1 3.87Å; Q911-I938 WeakPolarHBondContact O-CG1 3.43Å; Q911-I938 PolarHBondContact O-N 3.27Å
912	F	94.7	Very high	93.3	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.1	-179.6	-57.6	-91.5	0	0	0	109	F901 V902 F904 H907 E910 T935 Y936 R937 L948 L980	F901-F912 CarbonylContact C-O 3.53Å; F901-F912 WeakPolarHBondContact CA-O 3.18Å; V902-F912 PolarHBondContact N-O 2.87Å; V902-F912 PolarHBondContact O-N 2.78Å; F904-F912 HydrophobicContact CD2-CB 4.33Å; F904-F912 AromaticContact CD2-CD2 3.63Å; F904-F912 HydrophobicContact CD2-CD2 3.63Å; F904-F912 HydrophobicContact CD2-CE2 4.24Å; F904-F912 HydrophobicContact CD2-CG 4.13Å; F904-F912 HydrophobicContact CE2-CB 4.15Å; F904-F912 HydrophobicContact CE2-CD2 4.29Å; F904-F912 HydrophobicContact CE2-CG 4.34Å; H907-F912 HydrophobicContact CB-CE2 3.76Å; H907-F912 HydrophobicContact CB-CZ 3.9Å; E910-F912 HydrophobicContact CB-CE2 3.74Å; E910-F912 HydrophobicContact CB-CZ 3.81Å; E910-F912 WeakPolarHBondContact OE2-CZ 3.32Å; F912-T935 HydrophobicContact CB-CG2 4.2Å; F912-T935 HydrophobicContact CD1-CG2 4.41Å; F912-Y936 CarbonylContact C-O 3.58Å; F912-Y936 VanDerWaalsContact CA-O 3.25Å; F912-Y936 WeakPolarHBondContact CA-O 3.43Å; F912-R937 HydrophobicContact CD1-CB 4.43Å; F912-R937 HydrophobicContact CE1-CB 4.45Å; F912-R937 HydrophobicContact CE1-CG 4.36Å; F912-L948 HydrophobicContact CD1-CD1 3.45Å; F912-L948 VanDerWaalsContact CD1-CD1 3.45Å; F912-L948 HydrophobicContact CE1-CD1 3.48Å; F912-L948 VanDerWaalsContact CE1-CD1 3.48Å; F912-L980 HydrophobicContact CD2-CD2 4.35Å; F912-L980 HydrophobicContact CE1-CD2 4.07Å; F912-L980 HydrophobicContact CE2-CD2 3.9Å; F912-L980 HydrophobicContact CZ-CD2 3.74Å
913	L	96.1	Very high	93.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.1	169	-179.1	72.3	0	0	0	108.4	V794 Y803 L874 L899 F901 V915 Y936 I938 L945	V794-L913 HydrophobicContact CG2-CD1 3.97Å; Y803-L913 HydrophobicContact CD1-CD2 3.78Å; Y803-L913 HydrophobicContact CE1-CD2 4.29Å; Y803-L913 HydrophobicContact CG-CD2 3.99Å; L874-L913 HydrophobicContact CD1-CD2 4.4Å; L874-L913 HydrophobicContact CD2-CD2 3.99Å; L899-L913 HydrophobicContact CB-CD1 4.48Å; L899-L913 HydrophobicContact CD1-CD1 4.38Å; F901-L913 HydrophobicContact CD1-CB 4.22Å; F901-L913 HydrophobicContact CD1-CD1 3.81Å; F901-L913 HydrophobicContact CE1-CB 4.21Å; F901-L913 HydrophobicContact CE1-CD1 3.67Å; F901-L913 HydrophobicContact CE1-CG 4.46Å; F901-L913 HydrophobicContact CG-CD1 4.47Å; F901-L913 HydrophobicContact CZ-CD1 4.22Å; L913-V915 HydrophobicContact CD2-CG2 4.3Å; L913-V915 HydrophobicContact CG-CG2 4.31Å; L913-Y936 PolarHBondContact N-O 3Å; L913-Y936 PolarHBondContact O-N 3.48Å; L913-I938 HydrophobicContact CB-CG1 4.48Å; L913-L945 HydrophobicContact CB-CD2 4.28Å; L913-L945 HydrophobicContact CD2-CD1 3.62Å; L913-L945 HydrophobicContact CD2-CD2 4.08Å
914	V	97.4	Very high	93.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.7	174.5	-175.7	0	0	0	0	108.6	L899 T900 V902 L933 K934 T935 L960 L967	L899-V914 CarbonylContact C-O 3.51Å; L899-V914 WeakPolarHBondContact CA-O 3.26Å; T900-V914 PolarHBondContact N-O 3.28Å; T900-V914 PolarHBondContact O-N 2.69Å; V902-V914 HydrophobicContact CG2-CG2 4.44Å; V914-L933 HydrophobicContact CG1-CB 4.32Å; V914-K934 WeakPolarHBondContact CA-O 3.32Å; V914-T935 HydrophobicContact CG2-CG2 4.14Å; V914-L960 HydrophobicContact CB-CD1 4.45Å; V914-L960 HydrophobicContact CG1-CD1 4.16Å; V914-L960 WeakPolarHBondContact O-CD1 3.22Å; V914-L967 HydrophobicContact CB-CD2 4.35Å; V914-L967 HydrophobicContact CG1-CD2 3.87Å; V914-L967 HydrophobicContact CG2-CD2 4.23Å
915	V	97.7	Very high	93.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.9	176	-176.3	0	0	0	0	109.1	I805 L874 F890 A896 L899 L913 L917 L933 K934 Y936	I805-V915 HydrophobicContact CG2-CG1 4.08Å; L874-V915 HydrophobicContact CD1-CG2 4.35Å; L874-V915 HydrophobicContact CD2-CG2 3.99Å; F890-V915 HydrophobicContact CE2-CG1 4.49Å; F890-V915 HydrophobicContact CZ-CG1 4.13Å; A896-V915 HydrophobicContact CB-CG1 4.02Å; L899-V915 HydrophobicContact CB-CG2 4.14Å; L913-V915 HydrophobicContact CD2-CG2 4.3Å; L913-V915 HydrophobicContact CG-CG2 4.31Å; V915-L917 HydrophobicContact CG1-CD1 4.16Å; V915-L917 HydrophobicContact CG1-CG 4.45Å; V915-L933 WeakPolarHBondContact O-CA 3.38Å; V915-K934 PolarHBondContact N-O 2.79Å; V915-K934 PolarHBondContact O-N 2.94Å; V915-Y936 HydrophobicContact CB-CE2 4.37Å; V915-Y936 HydrophobicContact CG2-CD2 4.31Å; V915-Y936 HydrophobicContact CG2-CE2 4.04Å
916	A	97.5	Very high	93.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.6	177.2	0	0	0	0	0	110.8	A896 H897 A898 L933 P957 L960	A896-A916 WeakPolarHBondContact CA-O 3.37Å; H897-A916 PolarHBondContact N-O 3.47Å; A898-A916 HydrophobicContact CB-CB 4.21Å; A898-A916 PolarHBondContact O-N 2.98Å; A916-L933 HydrophobicContact CB-CD2 3.73Å; A916-P957 HydrophobicContact CB-CB 3.91Å; A916-P957 HydrophobicContact CB-CG 3.92Å; A916-P957 VanDerWaalsContact CB-O 3.3Å; A916-P957 WeakPolarHBondContact CB-O 3.22Å; A916-L960 HydrophobicContact CB-CD1 3.76Å; A916-L960 HydrophobicContact CB-CD2 4.18Å; A916-L960 HydrophobicContact CB-CG 4.01Å
917	L	97.5	Very high	93.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	149.1	178.9	-54.7	95.5	0	0	0	110.7	F890 E894 A895 A896 V915 G931 C932 K934 P957	F890-L917 HydrophobicContact CB-CD2 4.05Å; F890-L917 HydrophobicContact CD1-CD2 3.55Å; F890-L917 HydrophobicContact CD2-CD2 3.72Å; F890-L917 HydrophobicContact CE1-CD1 4.44Å; F890-L917 HydrophobicContact CE1-CD2 3.84Å; F890-L917 HydrophobicContact CE2-CD2 4.01Å; F890-L917 HydrophobicContact CG-CD2 3.48Å; F890-L917 VanDerWaalsContact CG-CD2 3.48Å; F890-L917 HydrophobicContact CZ-CD2 4.07Å; E894-L917 HydrophobicContact CB-CD2 3.93Å; A895-L917 CarbonylContact O-C 3.39Å; A895-L917 VanDerWaalsContact O-CA 3.24Å; A895-L917 WeakPolarHBondContact O-CA 3.19Å; A896-L917 HydrophobicContact CB-CD2 4.39Å; A896-L917 HydrophobicContact CB-CG 4.28Å; V915-L917 HydrophobicContact CG1-CD1 4.16Å; V915-L917 HydrophobicContact CG1-CG 4.45Å; L917-G931 CarbonylContact O-C 3.6Å; L917-G931 WeakPolarHBondContact O-CA 3.44Å; L917-C932 PolarHBondContact N-O 3.1Å; L917-C932 PolarHBondContact O-N 3.29Å; L917-K934 HydrophobicContact CD1-CB 4.06Å; L917-K934 HydrophobicContact CD1-CD 3.75Å; L917-K934 HydrophobicContact CD1-CG 3.75Å; L917-P957 VanDerWaalsContact O-CG 3.26Å; L917-P957 WeakPolarHBondContact O-CG 3.18Å
918	V	96.9	Very high	93.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144.9	169.3	67.2	0	0	0	0	109.1	E894 A895 H897 L921 C928 G930 F956	E894-V918 WeakPolarHBondContact CA-O 3.49Å; A895-V918 HydrophobicContact CB-CG1 3.78Å; A895-V918 PolarHBondContact N-O 3.08Å; A895-V918 PolarHBondContact O-N 3.26Å; H897-V918 VanDerWaalsContact CD2-CG1 3.45Å; H897-V918 WeakPolarHBondContact CD2-CG1 3.4Å; H897-V918 WeakPolarHBondContact NE2-CG1 3.34Å; V918-L921 HydrophobicContact CG1-CB 3.87Å; V918-L921 HydrophobicContact CG1-CD2 3.96Å; V918-L921 HydrophobicContact CG1-CG 4.47Å; V918-L921 HydrophobicContact CG2-CB 4.16Å; V918-C928 HydrophobicContact CG2-CB 3.77Å; V918-G930 WeakPolarHBondContact CG2-O 3.09Å; V918-F956 HydrophobicContact CB-CD2 3.88Å; V918-F956 HydrophobicContact CB-CE2 4.26Å; V918-F956 HydrophobicContact CG1-CD2 4.48Å; V918-F956 HydrophobicContact CG1-CE2 4.44Å; V918-F956 HydrophobicContact CG2-CB 4.34Å; V918-F956 HydrophobicContact CG2-CD2 4.1Å; V918-F956 HydrophobicContact CG2-CG 4.35Å
919	K	96	Very high	94.3	Very high	56 Å²	56	49.1 Å²	49.1	24%	0.243	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.7	178.3	-54	-158.8	-168	-152	0	110.6	N893 E894 L921 S929 G930 E950	N893-K919 WeakPolarHBondContact O-CA 3.13Å; E894-K919 HydrophobicContact CG-CD 4.36Å; E894-K919 HydrophobicContact CG-CG 4.27Å; E894-K919 VanDerWaalsContact OE1-CE 3.28Å; E894-K919 WeakPolarHBondContact OE1-CE 3.45Å; E894-K919 IonicContact OE1-NZ 3.08Å; E894-K919 PolarHBondContact OE1-NZ 3.42Å; K919-L921 VanDerWaalsContact C-N 3.32Å; K919-L921 PolarHBondContact O-N 3.36Å; K919-S929 VanDerWaalsContact CB-OG 3.27Å; K919-S929 WeakPolarHBondContact CB-OG 3.05Å; K919-S929 PolarHBondContact O-N 3.04Å; K919-S929 VanDerWaalsContact O-N 3.09Å; K919-S929 PolarHBondContact O-OG 3.27Å; K919-G930 PolarHBondContact N-O 3.17Å; K919-E950 IonicContact NZ-OE1 2.75Å; K919-E950 PolarHBondContact NZ-OE1 3.26Å
920	D	95.1	Very high	94.6	Very high	75 Å²	75	44.5 Å²	44.5	40%	0.401	24%	0.242	S	C	.	.	S	Bend	trans	48.4	48.1	175.1	-49.4	-58.1	0	0	0	113.6	N893 I922 S929	N893-D920 WeakPolarHBondContact CB-OD1 3.43Å; N893-D920 PolarHBondContact ND2-OD1 3.35Å; N893-D920 PolarHBondContact O-N 2.72Å; D920-I922 PolarHBondContact O-N 2.92Å; D920-S929 WeakPolarHBondContact OD2-CB 3.41Å; D920-S929 PolarHBondContact OD2-OG 2.8Å
921	L	95.6	Very high	94.9	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.031	23%	0.233	C	C	.	.			trans	-72.4	118.1	-179.4	176.5	65.3	0	0	0	110.6	W870 V918 K919 L923 S927 C928	W870-L921 HydrophobicContact CH2-CD2 4.08Å; W870-L921 HydrophobicContact CZ2-CB 4.22Å; W870-L921 HydrophobicContact CZ2-CD2 3.66Å; W870-L921 HydrophobicContact CZ2-CG 3.96Å; W870-L921 PolarHBondContact NE1-O 3.45Å; V918-L921 HydrophobicContact CG1-CB 3.87Å; V918-L921 HydrophobicContact CG1-CD2 3.96Å; V918-L921 HydrophobicContact CG1-CG 4.47Å; V918-L921 HydrophobicContact CG2-CB 4.16Å; K919-L921 VanDerWaalsContact C-N 3.32Å; K919-L921 PolarHBondContact O-N 3.36Å; L921-L923 HydrophobicContact CD2-CD2 3.95Å; L921-L923 HydrophobicContact CG-CD2 4.2Å; L921-S927 CarbonylContact C-O 3.58Å; L921-S927 WeakPolarHBondContact CA-O 2.97Å; L921-C928 HydrophobicContact CD1-CB 4.19Å
922	I	96	Very high	95.2	Very high	71 Å²	71	41.1 Å²	41.1	36%	0.364	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-99.2	130.4	165.4	-57.5	176.5	0	0	0	107.2	D920 P925 R926 S927	D920-I922 PolarHBondContact O-N 2.92Å; I922-P925 WeakPolarHBondContact CG2-O 3.28Å; I922-R926 VanDerWaalsContact O-CA 3.27Å; I922-R926 WeakPolarHBondContact O-CA 3.44Å; I922-S927 PolarHBondContact N-O 2.67Å; I922-S927 PolarHBondContact O-N 3Å
923	L	93.8	Very high	95.4	Very high	93 Å²	93	40.9 Å²	40.9	49%	0.487	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-41.1	-176.3	-66.5	177	0	0	0	112.6	W870 L921 R926	W870-L923 HydrophobicContact CH2-CD1 4.1Å; W870-L923 HydrophobicContact CH2-CD2 4.04Å; W870-L923 HydrophobicContact CH2-CG 4.25Å; W870-L923 HydrophobicContact CZ2-CD1 4.1Å; W870-L923 HydrophobicContact CZ2-CD2 3.88Å; W870-L923 HydrophobicContact CZ2-CG 3.87Å; L921-L923 HydrophobicContact CD2-CD2 3.95Å; L921-L923 HydrophobicContact CG-CD2 4.2Å; L923-R926 WeakPolarHBondContact O-CA 3.46Å; L923-R926 PolarHBondContact O-N 3.23Å
924	N	92.6	Very high	95.4	Very high	148 Å²	148	41.7 Å²	41.7	79%	0.791	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-141.9	119.1	-178.6	-167.6	19.8	0	0	0	111.4
925	P	93.6	Very high	95.4	Very high	103 Å²	103	41.7 Å²	41.7	67%	0.669	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	cis	-62.7	144.1	-14.7	28.7	-34.3	0	0	0	111	I922 S927	I922-P925 WeakPolarHBondContact CG2-O 3.28Å; P925-S927 PolarHBondContact O-N 3.46Å
926	R	92.9	Very high	95.3	Very high	124 Å²	124	42 Å²	42	47%	0.468	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	119.6	-175	-176.6	-179.1	173.5	-85.5	-8.1	111.5	I922 L923 D955	I922-R926 VanDerWaalsContact O-CA 3.27Å; I922-R926 WeakPolarHBondContact O-CA 3.44Å; L923-R926 WeakPolarHBondContact O-CA 3.46Å; L923-R926 PolarHBondContact O-N 3.23Å; R926-D955 IonicContact NH2-OD1 2.57Å
927	S	94.1	Very high	95.2	Very high	55 Å²	55	45.2 Å²	45.2	39%	0.385	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-150	155.7	171.8	59	0	0	0	0	111.1	L921 I922 P925	L921-S927 CarbonylContact C-O 3.58Å; L921-S927 WeakPolarHBondContact CA-O 2.97Å; I922-S927 PolarHBondContact N-O 2.67Å; I922-S927 PolarHBondContact O-N 3Å; P925-S927 PolarHBondContact O-N 3.46Å
928	C	93.5	Very high	94.9	Very high	36 Å²	36	46.4 Å²	46.4	24%	0.243	25%	0.25	C	C	.	.			trans	-151.4	153	174.4	61.4	0	0	0	0	110.7	V918 L921 G930	V918-C928 HydrophobicContact CG2-CB 3.77Å; L921-C928 HydrophobicContact CD1-CB 4.19Å; C928-G930 VanDerWaalsContact C-N 3.29Å
929	S	93.7	Very high	94.5	Very high	81 Å²	81	51.7 Å²	51.7	57%	0.566	27%	0.27	S	S	*	.	S	Bend	trans	-80.9	-10.9	177.4	62.3	0	0	0	0	113.4	K919 D920	K919-S929 VanDerWaalsContact CB-OG 3.27Å; K919-S929 WeakPolarHBondContact CB-OG 3.05Å; K919-S929 PolarHBondContact O-N 3.04Å; K919-S929 VanDerWaalsContact O-N 3.09Å; K919-S929 PolarHBondContact O-OG 3.27Å; D920-S929 WeakPolarHBondContact OD2-CB 3.41Å; D920-S929 PolarHBondContact OD2-OG 2.8Å
930	G	93.9	Very high	93.9	Very high	6 Å²	6	54 Å²	54	6%	0.062	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	140	-157.8	178.8	0	0	0	0	0	110.7	V918 K919 C928	V918-G930 WeakPolarHBondContact CG2-O 3.09Å; K919-G930 PolarHBondContact N-O 3.17Å; C928-G930 VanDerWaalsContact C-N 3.29Å
931	G	94.9	Very high	93.4	Very high	5 Å²	5	56.1 Å²	56.1	5%	0.052	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	179.5	173.9	0	0	0	0	0	113	L917 V953	L917-G931 CarbonylContact O-C 3.6Å; L917-G931 WeakPolarHBondContact O-CA 3.44Å; G931-V953 PolarHBondContact N-O 2.92Å; G931-V953 WeakPolarHBondContact O-CG2 3.32Å; G931-V953 PolarHBondContact O-N 2.91Å; G931-V953 VanDerWaalsContact O-O 3.14Å
932	C	96.3	Very high	92.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	154.5	173.2	69	0	0	0	0	112.7	L917 E950 T951	L917-C932 PolarHBondContact N-O 3.1Å; L917-C932 PolarHBondContact O-N 3.29Å; C932-E950 HydrophobicContact CB-CG 3.63Å; C932-E950 VanDerWaalsContact CB-OE1 3.25Å; C932-E950 WeakPolarHBondContact CB-OE1 3.23Å; C932-E950 PolarHBondContact SG-OE1 2.7Å; C932-T951 CarbonylContact C-O 3.36Å; C932-T951 VanDerWaalsContact CA-O 3.31Å; C932-T951 WeakPolarHBondContact CA-O 3.33Å
933	L	97.4	Very high	92.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	108	174.8	-55.8	173.4	0	0	0	108.2	V914 V915 A916 E950 T951 V953 P957 L960 V969 L985	V914-L933 HydrophobicContact CG1-CB 4.32Å; V915-L933 WeakPolarHBondContact O-CA 3.38Å; A916-L933 HydrophobicContact CB-CD2 3.73Å; L933-E950 WeakPolarHBondContact O-CA 3.31Å; L933-T951 PolarHBondContact N-O 2.84Å; L933-T951 PolarHBondContact O-N 2.86Å; L933-V953 HydrophobicContact CD1-CG1 4.05Å; L933-V953 HydrophobicContact CG-CG1 4.14Å; L933-P957 HydrophobicContact CD2-CB 3.9Å; L933-P957 HydrophobicContact CD2-CG 4.34Å; L933-L960 HydrophobicContact CD2-CD2 3.96Å; L933-V969 HydrophobicContact CD1-CG1 4.16Å; L933-V969 HydrophobicContact CD1-CG2 3.92Å; L933-V969 HydrophobicContact CD2-CG1 4.15Å; L933-L985 HydrophobicContact CB-CD1 4.16Å; L933-L985 HydrophobicContact CD1-CD1 3.84Å
934	K	97.4	Very high	92.3	Very high	17 Å²	17	59.3 Å²	59.3	7%	0.074	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	122.9	175.1	-70.2	-176.2	172.4	170.2	0	109	F890 E894 V914 V915 L917 Y936 F947 E950	F890-K934 HydrophobicContact CD1-CD 4.21Å; F890-K934 HydrophobicContact CE1-CD 3.89Å; E894-K934 IonicContact OE2-NZ 3.02Å; E894-K934 PolarHBondContact OE2-NZ 3.08Å; V914-K934 WeakPolarHBondContact CA-O 3.32Å; V915-K934 PolarHBondContact N-O 2.79Å; V915-K934 PolarHBondContact O-N 2.94Å; L917-K934 HydrophobicContact CD1-CB 4.06Å; L917-K934 HydrophobicContact CD1-CD 3.75Å; L917-K934 HydrophobicContact CD1-CG 3.75Å; K934-Y936 HydrophobicContact CB-CE2 3.75Å; K934-F947 HydrophobicContact CB-CE2 4.22Å; K934-F947 HydrophobicContact CD-CE2 4.41Å; K934-F947 HydrophobicContact CG-CE2 4.11Å; K934-E950 WeakPolarHBondContact CE-OE2 3.43Å; K934-E950 HydrophobicContact CG-CB 4.34Å; K934-E950 HydrophobicContact CG-CG 4.13Å; K934-E950 IonicContact NZ-OE2 3.77Å
935	T	97.3	Very high	92.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.9	180	-54.6	0	0	0	0	109.6	F912 V914 L948 H949 L980	F912-T935 HydrophobicContact CB-CG2 4.2Å; F912-T935 HydrophobicContact CD1-CG2 4.41Å; V914-T935 HydrophobicContact CG2-CG2 4.14Å; T935-L948 HydrophobicContact CG2-CD1 4.21Å; T935-L948 WeakPolarHBondContact O-CB 3.49Å; T935-L948 PolarHBondContact O-N 3.43Å; T935-H949 PolarHBondContact N-O 2.86Å; T935-H949 PolarHBondContact OG1-CE1 2.72Å; T935-L980 HydrophobicContact CG2-CD1 4.31Å
936	Y	96.4	Very high	92.4	Very high	7 Å²	7	51.9 Å²	51.9	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.4	179.6	-59	-89.9	0	0	0	110.4	L874 I888 F890 F912 L913 V915 K934 L945 E946 F947	L874-Y936 HydrophobicContact CD2-CE2 4.28Å; I888-Y936 HydrophobicContact CD1-CD1 4.16Å; I888-Y936 HydrophobicContact CD1-CE1 3.76Å; F890-Y936 WeakPolarHBondContact CE1-OH 3.17Å; F912-Y936 CarbonylContact C-O 3.58Å; F912-Y936 VanDerWaalsContact CA-O 3.25Å; F912-Y936 WeakPolarHBondContact CA-O 3.43Å; L913-Y936 PolarHBondContact N-O 3Å; L913-Y936 PolarHBondContact O-N 3.48Å; V915-Y936 HydrophobicContact CB-CE2 4.37Å; V915-Y936 HydrophobicContact CG2-CD2 4.31Å; V915-Y936 HydrophobicContact CG2-CE2 4.04Å; K934-Y936 HydrophobicContact CB-CE2 3.75Å; Y936-L945 HydrophobicContact CD1-CB 4.13Å; Y936-L945 HydrophobicContact CG-CB 4.35Å; Y936-E946 CarbonylContact C-O 3.5Å; Y936-E946 WeakPolarHBondContact CA-O 3.29Å; Y936-F947 HydrophobicContact CD1-CB 4.02Å; Y936-F947 HydrophobicContact CD1-CD2 4.31Å; Y936-F947 HydrophobicContact CE1-CB 3.88Å; Y936-F947 AromaticContact CE1-CD2 3.78Å; Y936-F947 HydrophobicContact CE1-CD2 3.78Å; Y936-F947 HydrophobicContact CE1-CG 4.33Å
937	R	94.3	Very high	92.6	Very high	67 Å²	67	51.1 Å²	51.1	25%	0.253	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	136.1	166.3	-171.5	174.4	177.1	157.9	8.7	109.2	E910 F912 E946 L948	E910-R937 VanDerWaalsContact CD-CZ 3.41Å; E910-R937 IonicContact OE1-CZ 2.83Å; E910-R937 IonicContact OE1-NH1 3.21Å; E910-R937 IonicContact OE1-NH2 3.27Å; E910-R937 PolarHBondContact OE1-NH2 2.99Å; E910-R937 IonicContact OE2-CZ 2.75Å; E910-R937 IonicContact OE2-NE 3.81Å; E910-R937 PolarHBondContact OE2-NE 2.81Å; E910-R937 IonicContact OE2-NH1 2.77Å; E910-R937 IonicContact OE2-NH2 2.85Å; E910-R937 PolarHBondContact OE2-NH2 2.86Å; E910-R937 VanDerWaalsContact OE2-NH2 3.12Å; F912-R937 HydrophobicContact CD1-CB 4.43Å; F912-R937 HydrophobicContact CE1-CB 4.45Å; F912-R937 HydrophobicContact CE1-CG 4.36Å; R937-E946 HydrophobicContact CB-CB 4.37Å; R937-E946 PolarHBondContact N-O 2.86Å; R937-E946 PolarHBondContact O-N 3.34Å; R937-L948 HydrophobicContact CB-CD1 4Å; R937-L948 HydrophobicContact CB-CD2 4.21Å; R937-L948 HydrophobicContact CB-CG 4.06Å
938	I	92.2	Very high	92.6	Very high	25 Å²	25	51.7 Å²	51.7	13%	0.128	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	129.4	178.9	-56.1	172.5	0	0	0	109.2	F901 Q911 L913 L945	F901-I938 HydrophobicContact CD1-CD1 3.62Å; F901-I938 HydrophobicContact CE1-CD1 3.41Å; F901-I938 VanDerWaalsContact CE1-CD1 3.41Å; Q911-I938 HydrophobicContact CB-CD1 4.11Å; Q911-I938 HydrophobicContact CG-CD1 3.87Å; Q911-I938 WeakPolarHBondContact O-CG1 3.43Å; Q911-I938 PolarHBondContact O-N 3.27Å; L913-I938 HydrophobicContact CB-CG1 4.48Å; I938-L945 HydrophobicContact CG1-CD2 3.9Å
939	W	86.9	Confident	92.7	Very high	111 Å²	111	50.5 Å²	50.5	42%	0.42	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	167.9	178.1	-77.3	95.6	0	0	0	111.5	N941 G942 E943 R944 E946	W939-N941 VanDerWaalsContact C-N 3.32Å; W939-N941 PolarHBondContact O-N 2.53Å; W939-G942 PolarHBondContact O-N 3.19Å; W939-E943 PolarHBondContact O-N 3.37Å; W939-R944 HydrophobicContact CB-CB 4.41Å; W939-R944 PolarHBondContact N-O 3.49Å; W939-R944 PolarHBondContact O-N 2.8Å; W939-E946 PolarHBondContact NE1-OE2 2.87Å
940	N	84.6	Confident	92.8	Very high	103 Å²	103	49.7 Å²	49.7	55%	0.551	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	49.2	49.9	174.7	-64.8	-0.4	0	0	0	113.1	G942 E943	N940-G942 PolarHBondContact O-N 3.09Å; N940-G942 VanDerWaalsContact O-N 3.07Å; N940-E943 HydrophobicContact CB-CB 4.26Å; N940-E943 PolarHBondContact O-N 2.88Å; N940-E943 VanDerWaalsContact O-N 3.12Å
941	N	83.3	Confident	93	Very high	120 Å²	120	49.7 Å²	49.7	64%	0.642	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	56.2	26.1	-179.9	-145.2	28.7	0	0	0	114.5	S799 W939	S799-N941 WeakPolarHBondContact CB-O 3.43Å; S799-N941 PolarHBondContact OG-O 3.48Å; W939-N941 VanDerWaalsContact C-N 3.32Å; W939-N941 PolarHBondContact O-N 2.53Å
942	G	84.8	Confident	93.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	104.2	-5.7	179.6	0	0	0	0	0	115.4	I801 Y803 W939 N940 R944	I801-G942 VanDerWaalsContact CD1-C 3.42Å; Y803-G942 WeakPolarHBondContact OH-CA 3.36Å; Y803-G942 PolarHBondContact OH-O 3.35Å; W939-G942 PolarHBondContact O-N 3.19Å; N940-G942 PolarHBondContact O-N 3.09Å; N940-G942 VanDerWaalsContact O-N 3.07Å; G942-R944 VanDerWaalsContact C-N 3.34Å; G942-R944 PolarHBondContact O-N 3.47Å
943	E	87.4	Confident	93.1	Very high	84 Å²	84	54.7 Å²	54.7	39%	0.393	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-22.3	-177	-65.4	-174.2	157.1	0	0	113.6	I801 K878 W939 N940	I801-E943 HydrophobicContact CD1-CB 4.39Å; I801-E943 HydrophobicContact CD1-CG 3.61Å; K878-E943 WeakPolarHBondContact CE-OE1 3.39Å; K878-E943 IonicContact NZ-OE1 2.94Å; K878-E943 PolarHBondContact NZ-OE1 3.48Å; W939-E943 PolarHBondContact O-N 3.37Å; N940-E943 HydrophobicContact CB-CB 4.26Å; N940-E943 PolarHBondContact O-N 2.88Å; N940-E943 VanDerWaalsContact O-N 3.12Å
944	R	91.6	Very high	92.9	Very high	154 Å²	154	58.8 Å²	58.8	58%	0.581	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	136	-176.2	-171.1	176.5	178.9	178.9	0.3	111.8	W939 G942	W939-R944 HydrophobicContact CB-CB 4.41Å; W939-R944 PolarHBondContact N-O 3.49Å; W939-R944 PolarHBondContact O-N 2.8Å; G942-R944 VanDerWaalsContact C-N 3.34Å; G942-R944 PolarHBondContact O-N 3.47Å
945	L	93.9	Very high	92.8	Very high	6 Å²	6	60.2 Å²	60.2	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.6	170.7	-65.4	176.8	0	0	0	110.4	Y803 L874 I888 L913 Y936 I938	Y803-L945 HydrophobicContact CD1-CD1 3.77Å; Y803-L945 HydrophobicContact CD1-CD2 4.37Å; Y803-L945 HydrophobicContact CD1-CG 4.29Å; Y803-L945 HydrophobicContact CE1-CD1 3.66Å; Y803-L945 HydrophobicContact CE1-CD2 3.57Å; Y803-L945 HydrophobicContact CE1-CG 3.65Å; L874-L945 HydrophobicContact CD2-CD1 3.48Å; L874-L945 VanDerWaalsContact CD2-CD1 3.48Å; L874-L945 HydrophobicContact CG-CD1 4.35Å; I888-L945 HydrophobicContact CD1-CB 3.94Å; I888-L945 HydrophobicContact CD1-CD1 4.11Å; L913-L945 HydrophobicContact CB-CD2 4.28Å; L913-L945 HydrophobicContact CD2-CD1 3.62Å; L913-L945 HydrophobicContact CD2-CD2 4.08Å; Y936-L945 HydrophobicContact CD1-CB 4.13Å; Y936-L945 HydrophobicContact CG-CB 4.35Å; I938-L945 HydrophobicContact CG1-CD2 3.9Å
946	E	94.4	Very high	92.6	Very high	88 Å²	88	61.3 Å²	61.3	41%	0.411	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.7	170.2	-178.3	-173.9	-154.5	0	0	109.3	Y936 R937 W939	Y936-E946 CarbonylContact C-O 3.5Å; Y936-E946 WeakPolarHBondContact CA-O 3.29Å; R937-E946 HydrophobicContact CB-CB 4.37Å; R937-E946 PolarHBondContact N-O 2.86Å; R937-E946 PolarHBondContact O-N 3.34Å; W939-E946 PolarHBondContact NE1-OE2 2.87Å
947	F	95.9	Very high	92.6	Very high	108 Å²	108	61 Å²	61	47%	0.474	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	130.1	177.1	175	-103	0	0	0	111.3	K934 Y936 E950	K934-F947 HydrophobicContact CB-CE2 4.22Å; K934-F947 HydrophobicContact CD-CE2 4.41Å; K934-F947 HydrophobicContact CG-CE2 4.11Å; Y936-F947 HydrophobicContact CD1-CB 4.02Å; Y936-F947 HydrophobicContact CD1-CD2 4.31Å; Y936-F947 HydrophobicContact CE1-CB 3.88Å; Y936-F947 AromaticContact CE1-CD2 3.78Å; Y936-F947 HydrophobicContact CE1-CD2 3.78Å; Y936-F947 HydrophobicContact CE1-CG 4.33Å; F947-E950 HydrophobicContact CE2-CB 4.43Å; F947-E950 HydrophobicContact CZ-CB 4.04Å
948	L	94.8	Very high	92.6	Very high	67 Å²	67	58.2 Å²	58.2	35%	0.351	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-59.1	177.1	-68.7	173.6	0	0	0	112.6	F912 T935 R937	F912-L948 HydrophobicContact CD1-CD1 3.45Å; F912-L948 VanDerWaalsContact CD1-CD1 3.45Å; F912-L948 HydrophobicContact CE1-CD1 3.48Å; F912-L948 VanDerWaalsContact CE1-CD1 3.48Å; T935-L948 HydrophobicContact CG2-CD1 4.21Å; T935-L948 WeakPolarHBondContact O-CB 3.49Å; T935-L948 PolarHBondContact O-N 3.43Å; R937-L948 HydrophobicContact CB-CD1 4Å; R937-L948 HydrophobicContact CB-CD2 4.21Å; R937-L948 HydrophobicContact CB-CG 4.06Å
949	H	96.2	Very high	92.8	Very high	11 Å²	11	57.1 Å²	57.1	5%	0.051	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	162	-178.2	64	52.6	0	0	0	112.6	T935 G981 K983	T935-H949 PolarHBondContact N-O 2.86Å; T935-H949 PolarHBondContact OG1-CE1 2.72Å; H949-G981 PolarHBondContact NE2-O 2.69Å; H949-K983 WeakPolarHBondContact CB-O 3.36Å
950	E	96.1	Very high	93.3	Very high	65 Å²	65	52.7 Å²	52.7	30%	0.304	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.1	171.3	-177.9	174.4	156.4	0	0	109.8	K919 C932 L933 K934 F947	K919-E950 IonicContact NZ-OE1 2.75Å; K919-E950 PolarHBondContact NZ-OE1 3.26Å; C932-E950 HydrophobicContact CB-CG 3.63Å; C932-E950 VanDerWaalsContact CB-OE1 3.25Å; C932-E950 WeakPolarHBondContact CB-OE1 3.23Å; C932-E950 PolarHBondContact SG-OE1 2.7Å; L933-E950 WeakPolarHBondContact O-CA 3.31Å; K934-E950 WeakPolarHBondContact CE-OE2 3.43Å; K934-E950 HydrophobicContact CG-CB 4.34Å; K934-E950 HydrophobicContact CG-CG 4.13Å; K934-E950 IonicContact NZ-OE2 3.77Å; F947-E950 HydrophobicContact CE2-CB 4.43Å; F947-E950 HydrophobicContact CZ-CB 4.04Å
951	T	97.5	Very high	93.8	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113.1	175.4	-54.7	0	0	0	0	109.7	C932 L933 K984 L985	C932-T951 CarbonylContact C-O 3.36Å; C932-T951 VanDerWaalsContact CA-O 3.31Å; C932-T951 WeakPolarHBondContact CA-O 3.33Å; L933-T951 PolarHBondContact N-O 2.84Å; L933-T951 PolarHBondContact O-N 2.86Å; T951-K984 HydrophobicContact CG2-CB 4.12Å; T951-K984 WeakPolarHBondContact OG1-CA 3.3Å; T951-K984 WeakPolarHBondContact OG1-CB 3.36Å; T951-L985 HydrophobicContact CG2-CB 4.23Å; T951-L985 PolarHBondContact OG1-N 3.14Å
952	P	96.8	Very high	94.4	Very high	98 Å²	98	44.6 Å²	44.6	64%	0.636	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	142.7	176.3	28.5	-33.9	0	0	0	110.9
953	V	96.1	Very high	94.9	Very high	13 Å²	13	44.9 Å²	44.9	8%	0.079	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152.9	172.3	-65.2	0	0	0	0	109.7	G931 L933 D955 P957 V971	G931-V953 PolarHBondContact N-O 2.92Å; G931-V953 WeakPolarHBondContact O-CG2 3.32Å; G931-V953 PolarHBondContact O-N 2.91Å; G931-V953 VanDerWaalsContact O-O 3.14Å; L933-V953 HydrophobicContact CD1-CG1 4.05Å; L933-V953 HydrophobicContact CG-CG1 4.14Å; V953-D955 WeakPolarHBondContact CG2-O 3.1Å; V953-P957 HydrophobicContact CG2-CB 4.05Å; V953-P957 HydrophobicContact CG2-CG 3.79Å; V953-V971 HydrophobicContact CB-CG1 4.07Å; V953-V971 HydrophobicContact CB-CG2 4.34Å; V953-V971 HydrophobicContact CG1-CG2 4.24Å; V953-V971 HydrophobicContact CG2-CG1 4.41Å
954	D	93.8	Very high	95	Very high	85 Å²	85	45.3 Å²	45.3	46%	0.455	23%	0.23	S	C	.	.	S	Bend	trans	-79.7	-16.5	-169.4	49	-33	0	0	0	114.9	R974 R976	D954-R974 IonicContact OD2-CZ 3.46Å; D954-R974 IonicContact OD2-NH1 3.04Å; D954-R974 PolarHBondContact OD2-NH1 3.09Å; D954-R976 IonicContact OD1-CZ 2.75Å; D954-R976 IonicContact OD1-NH1 3.08Å; D954-R976 PolarHBondContact OD1-NH1 2.87Å; D954-R976 IonicContact OD1-NH2 2.97Å; D954-R976 PolarHBondContact OD1-NH2 3.15Å; D954-R976 IonicContact OD2-CZ 3.92Å; D954-R976 IonicContact OD2-NH2 3.01Å; D954-R976 PolarHBondContact OD2-NH2 2.81Å
955	D	94.3	Very high	95.1	Very high	47 Å²	47	38.7 Å²	38.7	25%	0.251	21%	0.21	S	C	.	.	S	Bend	trans	-149.7	-179.1	-179	-161.2	-15.3	0	0	0	108.7	R926 V953 P957 V971	R926-D955 IonicContact NH2-OD1 2.57Å; V953-D955 WeakPolarHBondContact CG2-O 3.1Å; D955-P957 WeakPolarHBondContact O-CD 3.29Å; D955-V971 HydrophobicContact CB-CG1 3.92Å; D955-V971 WeakPolarHBondContact O-CG1 3.34Å
956	F	94.2	Very high	95.1	Very high	23 Å²	23	41.4 Å²	41.4	10%	0.101	22%	0.22	C	C	.	.			trans	-59.3	111.2	-178	-178.5	-166.8	0	0	0	112.7	H897 V918 A958 G972 L997	H897-F956 HydrophobicContact CB-CE2 3.75Å; H897-F956 HydrophobicContact CB-CZ 4.01Å; H897-F956 AromaticContact CD2-CE2 3.45Å; H897-F956 VanDerWaalsContact CD2-CE2 3.45Å; H897-F956 WeakPolarHBondContact CD2-CE2 3.47Å; H897-F956 AromaticContact CD2-CZ 3.71Å; H897-F956 AromaticContact CG-CE2 3.59Å; H897-F956 AromaticContact CG-CZ 3.62Å; H897-F956 AromaticContact ND1-CZ 3.91Å; V918-F956 HydrophobicContact CB-CD2 3.88Å; V918-F956 HydrophobicContact CB-CE2 4.26Å; V918-F956 HydrophobicContact CG1-CD2 4.48Å; V918-F956 HydrophobicContact CG1-CE2 4.44Å; V918-F956 HydrophobicContact CG2-CB 4.34Å; V918-F956 HydrophobicContact CG2-CD2 4.1Å; V918-F956 HydrophobicContact CG2-CG 4.35Å; F956-A958 HydrophobicContact CD1-CB 4.05Å; F956-A958 HydrophobicContact CD2-CB 4.08Å; F956-A958 HydrophobicContact CE1-CB 3.87Å; F956-A958 HydrophobicContact CE2-CB 3.85Å; F956-A958 HydrophobicContact CG-CB 4.18Å; F956-A958 HydrophobicContact CZ-CB 3.76Å; F956-A958 PolarHBondContact O-N 3.33Å; F956-G972 PolarHBondContact O-N 2.88Å; F956-L997 HydrophobicContact CB-CD1 4.49Å; F956-L997 HydrophobicContact CD1-CD1 4.01Å; F956-L997 HydrophobicContact CD1-CD2 3.97Å; F956-L997 HydrophobicContact CE1-CD2 4.16Å
957	P	96	Very high	95.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	80.2	172.1	32.9	-33.5	0	0	0	111.2	A916 L917 L933 V953 D955 V969 G970	A916-P957 HydrophobicContact CB-CB 3.91Å; A916-P957 HydrophobicContact CB-CG 3.92Å; A916-P957 VanDerWaalsContact CB-O 3.3Å; A916-P957 WeakPolarHBondContact CB-O 3.22Å; L917-P957 VanDerWaalsContact O-CG 3.26Å; L917-P957 WeakPolarHBondContact O-CG 3.18Å; L933-P957 HydrophobicContact CD2-CB 3.9Å; L933-P957 HydrophobicContact CD2-CG 4.34Å; V953-P957 HydrophobicContact CG2-CB 4.05Å; V953-P957 HydrophobicContact CG2-CG 3.79Å; D955-P957 WeakPolarHBondContact O-CD 3.29Å; P957-V969 HydrophobicContact CB-CG1 4.19Å; P957-G970 CarbonylContact C-O 3.51Å; P957-G970 VanDerWaalsContact CA-O 3.31Å; P957-G970 WeakPolarHBondContact CA-O 3.45Å
958	A	94.4	Very high	95.2	Very high	9 Å²	9	32.1 Å²	32.1	7%	0.074	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-19.3	-171	0	0	0	0	0	114.8	F956 G970 L997 I998	F956-A958 HydrophobicContact CD1-CB 4.05Å; F956-A958 HydrophobicContact CD2-CB 4.08Å; F956-A958 HydrophobicContact CE1-CB 3.87Å; F956-A958 HydrophobicContact CE2-CB 3.85Å; F956-A958 HydrophobicContact CG-CB 4.18Å; F956-A958 HydrophobicContact CZ-CB 3.76Å; F956-A958 PolarHBondContact O-N 3.33Å; A958-G970 PolarHBondContact N-O 2.95Å; A958-G970 VanDerWaalsContact N-O 3.09Å; A958-L997 HydrophobicContact CB-CD1 4.22Å; A958-I998 VanDerWaalsContact CB-O 3.22Å; A958-I998 WeakPolarHBondContact CB-O 3.47Å
959	A	95.7	Very high	95.4	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.017	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	142.7	-177.7	0	0	0	0	0	113.2	V969 G970 I998 I1001	A959-V969 WeakPolarHBondContact O-CA 3.5Å; A959-G970 PolarHBondContact O-N 2.99Å; A959-I998 HydrophobicContact CB-CG2 4.17Å; A959-I1001 HydrophobicContact CB-CB 4.49Å; A959-I1001 HydrophobicContact CB-CD1 3.92Å; A959-I1001 HydrophobicContact CB-CG1 3.83Å
960	L	97	Very high	95.4	Very high	18 Å²	18	28.4 Å²	28.4	9%	0.094	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141	178	-61.1	178.9	0	0	0	109.9	A898 T900 V914 A916 L933 L967 L968 V969	A898-L960 HydrophobicContact CB-CB 4.46Å; A898-L960 HydrophobicContact CB-CD1 4.2Å; A898-L960 HydrophobicContact CB-CG 3.98Å; T900-L960 HydrophobicContact CG2-CB 3.67Å; T900-L960 HydrophobicContact CG2-CD1 4.4Å; V914-L960 HydrophobicContact CB-CD1 4.45Å; V914-L960 HydrophobicContact CG1-CD1 4.16Å; V914-L960 WeakPolarHBondContact O-CD1 3.22Å; A916-L960 HydrophobicContact CB-CD1 3.76Å; A916-L960 HydrophobicContact CB-CD2 4.18Å; A916-L960 HydrophobicContact CB-CG 4.01Å; L933-L960 HydrophobicContact CD2-CD2 3.96Å; L960-L967 HydrophobicContact CB-CD1 4.32Å; L960-L967 HydrophobicContact CD2-CD1 4.35Å; L960-L967 HydrophobicContact CD2-CD2 4.37Å; L960-L968 WeakPolarHBondContact CA-O 3.3Å; L960-V969 HydrophobicContact CD2-CB 4.17Å; L960-V969 HydrophobicContact CD2-CG1 3.8Å; L960-V969 HydrophobicContact CD2-CG2 3.74Å
961	C	96.3	Very high	95.4	Very high	15 Å²	15	25.3 Å²	25.3	10%	0.101	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	134	174.7	-175.7	0	0	0	0	110.8	L968 I1001	C961-L968 HydrophobicContact CB-CB 4.22Å; C961-L968 PolarHBondContact N-O 2.97Å; C961-L968 PolarHBondContact O-N 2.86Å; C961-I1001 HydrophobicContact CB-CB 3.83Å; C961-I1001 HydrophobicContact CB-CG2 3.59Å; C961-I1001 WeakPolarHBondContact CB-O 3.39Å
962	A	95.2	Very high	95.3	Very high	39 Å²	39	25.2 Å²	25.2	32%	0.322	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	131.2	172.2	0	0	0	0	0	110.5	F901 V902	F901-A962 VanDerWaalsContact O-CB 3.23Å; F901-A962 WeakPolarHBondContact O-CB 3.42Å; V902-A962 HydrophobicContact CG1-CB 4.49Å; V902-A962 HydrophobicContact CG2-CB 4.07Å
963	F	94.6	Very high	95.2	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.026	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	114.3	-174.4	-178.7	-112	0	0	0	112.2	G965 R966 L968 G1005 I1008 Y1022	F963-G965 VanDerWaalsContact C-N 3.26Å; F963-G965 PolarHBondContact O-N 2.87Å; F963-G965 VanDerWaalsContact O-N 3.15Å; F963-R966 PolarHBondContact N-O 2.86Å; F963-R966 CarbonylContact O-C 3.54Å; F963-R966 WeakPolarHBondContact O-CA 3.36Å; F963-R966 WeakPolarHBondContact O-CB 3.47Å; F963-R966 PolarHBondContact O-N 3.2Å; F963-L968 HydrophobicContact CB-CD1 3.5Å; F963-L968 VanDerWaalsContact CB-CD1 3.5Å; F963-L968 HydrophobicContact CB-CG 3.76Å; F963-L968 HydrophobicContact CD1-CD1 4Å; F963-L968 HydrophobicContact CD1-CG 4.21Å; F963-L968 HydrophobicContact CD2-CD1 4.15Å; F963-L968 HydrophobicContact CG-CD1 3.62Å; F963-L968 HydrophobicContact CG-CG 4.13Å; F963-G1005 WeakPolarHBondContact CE2-O 3.21Å; F963-I1008 HydrophobicContact CD1-CD1 4.34Å; F963-I1008 HydrophobicContact CD2-CG1 4.3Å; F963-I1008 HydrophobicContact CE1-CD1 3.95Å; F963-I1008 HydrophobicContact CE1-CG1 4.44Å; F963-I1008 HydrophobicContact CE2-CD1 4.34Å; F963-I1008 HydrophobicContact CE2-CG1 3.93Å; F963-I1008 HydrophobicContact CZ-CD1 3.95Å; F963-I1008 HydrophobicContact CZ-CG1 4Å; F963-Y1022 AromaticContact CE1-CD1 3.45Å; F963-Y1022 HydrophobicContact CE1-CD1 3.45Å; F963-Y1022 VanDerWaalsContact CE1-CD1 3.45Å; F963-Y1022 HydrophobicContact CE1-CE1 4.18Å; F963-Y1022 AromaticContact CE1-CG 3.68Å; F963-Y1022 HydrophobicContact CE1-CG 3.68Å; F963-Y1022 AromaticContact CZ-CD1 3.9Å; F963-Y1022 HydrophobicContact CZ-CD1 3.9Å; F963-Y1022 HydrophobicContact CZ-CG 4.12Å
964	Q	91.3	Very high	95.2	Very high	92 Å²	92	26.7 Å²	26.7	43%	0.43	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	43.4	173.9	-59.1	-175.3	-3.5	0	0	114.1	N905 R966 G1005	N905-Q964 PolarHBondContact ND2-O 2.91Å; Q964-R966 VanDerWaalsContact C-N 3.3Å; Q964-R966 PolarHBondContact O-N 2.94Å; Q964-G1005 PolarHBondContact NE2-O 2.92Å
965	G	91.7	Very high	95.4	Very high	16 Å²	16	22.7 Å²	22.7	17%	0.165	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	22.6	-178	0	0	0	0	0	115	K903 F904 N905 F963	K903-G965 VanDerWaalsContact O-CA 3.27Å; K903-G965 WeakPolarHBondContact O-CA 3.35Å; F904-G965 CarbonylContact C-O 3.54Å; F904-G965 WeakPolarHBondContact CA-O 3.29Å; N905-G965 PolarHBondContact N-O 2.83Å; N905-G965 WeakPolarHBondContact OD1-CA 3.43Å; F963-G965 VanDerWaalsContact C-N 3.26Å; F963-G965 PolarHBondContact O-N 2.87Å; F963-G965 VanDerWaalsContact O-N 3.15Å
966	R	94.1	Very high	95.5	Very high	63 Å²	63	21 Å²	21	24%	0.238	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	176.1	174.2	-61.6	-178.7	-172.8	174.5	3.9	108.9	F963 Q964 I977 Y978 Y1022	F963-R966 PolarHBondContact N-O 2.86Å; F963-R966 CarbonylContact O-C 3.54Å; F963-R966 WeakPolarHBondContact O-CA 3.36Å; F963-R966 WeakPolarHBondContact O-CB 3.47Å; F963-R966 PolarHBondContact O-N 3.2Å; Q964-R966 VanDerWaalsContact C-N 3.3Å; Q964-R966 PolarHBondContact O-N 2.94Å; R966-I977 HydrophobicContact CB-CG2 3.95Å; R966-I977 HydrophobicContact CG-CG2 4.44Å; R966-Y978 WeakPolarHBondContact CB-O 3.36Å; R966-Y1022 PolarHBondContact NH1-OH 2.93Å
967	L	96.5	Very high	95.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.3	177.8	176.8	71.9	0	0	0	110.2	T900 V902 F904 V914 L960 V969 I977 Y978 L985	T900-L967 HydrophobicContact CG2-CD1 3.58Å; V902-L967 HydrophobicContact CG2-CB 4.24Å; V902-L967 HydrophobicContact CG2-CD1 3.63Å; V902-L967 HydrophobicContact CG2-CG 4.48Å; F904-L967 HydrophobicContact CE1-CB 4.06Å; F904-L967 HydrophobicContact CZ-CB 4.14Å; V914-L967 HydrophobicContact CB-CD2 4.35Å; V914-L967 HydrophobicContact CG1-CD2 3.87Å; V914-L967 HydrophobicContact CG2-CD2 4.23Å; L960-L967 HydrophobicContact CB-CD1 4.32Å; L960-L967 HydrophobicContact CD2-CD1 4.35Å; L960-L967 HydrophobicContact CD2-CD2 4.37Å; L967-V969 HydrophobicContact CD2-CG2 3.51Å; L967-V969 HydrophobicContact CG-CG2 3.66Å; L967-I977 CarbonylContact O-C 3.44Å; L967-I977 WeakPolarHBondContact O-CA 3.34Å; L967-Y978 PolarHBondContact N-O 2.79Å; L967-Y978 PolarHBondContact O-N 3.25Å; L967-L985 HydrophobicContact CD2-CD1 3.75Å
968	L	97.1	Very high	95.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	135.7	163.2	-74.9	165	0	0	0	109.7	L960 C961 F963 L975 R976 I977 I1001 I1008	L960-L968 WeakPolarHBondContact CA-O 3.3Å; C961-L968 HydrophobicContact CB-CB 4.22Å; C961-L968 PolarHBondContact N-O 2.97Å; C961-L968 PolarHBondContact O-N 2.86Å; F963-L968 HydrophobicContact CB-CD1 3.5Å; F963-L968 VanDerWaalsContact CB-CD1 3.5Å; F963-L968 HydrophobicContact CB-CG 3.76Å; F963-L968 HydrophobicContact CD1-CD1 4Å; F963-L968 HydrophobicContact CD1-CG 4.21Å; F963-L968 HydrophobicContact CD2-CD1 4.15Å; F963-L968 HydrophobicContact CG-CD1 3.62Å; F963-L968 HydrophobicContact CG-CG 4.13Å; L968-L975 HydrophobicContact CD2-CD1 4.14Å; L968-L975 HydrophobicContact CD2-CG 4.33Å; L968-R976 CarbonylContact C-O 3.51Å; L968-R976 WeakPolarHBondContact CA-O 3.18Å; L968-I977 HydrophobicContact CD2-CD1 4.19Å; L968-I977 HydrophobicContact CD2-CG1 3.36Å; L968-I977 HydrophobicContact CG-CG1 4.33Å; L968-I1001 HydrophobicContact CB-CD1 4.45Å; L968-I1001 HydrophobicContact CB-CG2 4.05Å; L968-I1001 HydrophobicContact CD1-CG2 3.91Å; L968-I1008 HydrophobicContact CD1-CB 4.47Å; L968-I1008 HydrophobicContact CD1-CD1 3.66Å; L968-I1008 HydrophobicContact CD1-CG1 3.76Å; L968-I1008 HydrophobicContact CD1-CG2 3.88Å; L968-I1008 HydrophobicContact CD2-CD1 3.96Å; L968-I1008 HydrophobicContact CG-CD1 4.45Å
969	V	97.6	Very high	95.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	128.4	179	-172.6	0	0	0	0	109.3	L933 P957 A959 L960 L967 V971 R976 Y978	L933-V969 HydrophobicContact CD1-CG1 4.16Å; L933-V969 HydrophobicContact CD1-CG2 3.92Å; L933-V969 HydrophobicContact CD2-CG1 4.15Å; P957-V969 HydrophobicContact CB-CG1 4.19Å; A959-V969 WeakPolarHBondContact O-CA 3.5Å; L960-V969 HydrophobicContact CD2-CB 4.17Å; L960-V969 HydrophobicContact CD2-CG1 3.8Å; L960-V969 HydrophobicContact CD2-CG2 3.74Å; L967-V969 HydrophobicContact CD2-CG2 3.51Å; L967-V969 HydrophobicContact CG-CG2 3.66Å; V969-V971 HydrophobicContact CB-CG2 4.34Å; V969-V971 HydrophobicContact CG1-CG2 3.55Å; V969-R976 PolarHBondContact N-O 3.12Å; V969-R976 PolarHBondContact O-N 2.81Å; V969-Y978 HydrophobicContact CB-CD2 4Å; V969-Y978 HydrophobicContact CB-CE2 4.11Å; V969-Y978 HydrophobicContact CG2-CD2 3.55Å; V969-Y978 HydrophobicContact CG2-CE2 4.06Å; V969-Y978 HydrophobicContact CG2-CG 4.43Å
970	G	97	Very high	95.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	107.3	169.9	0	0	0	0	0	109.3	P957 A958 A959	P957-G970 CarbonylContact C-O 3.51Å; P957-G970 VanDerWaalsContact CA-O 3.31Å; P957-G970 WeakPolarHBondContact CA-O 3.45Å; A958-G970 PolarHBondContact N-O 2.95Å; A958-G970 VanDerWaalsContact N-O 3.09Å; A959-G970 PolarHBondContact O-N 2.99Å
971	V	96.8	Very high	95.4	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	101.6	-179	-177.2	0	0	0	0	108.1	V953 D955 V969 N973 R974	V953-V971 HydrophobicContact CB-CG1 4.07Å; V953-V971 HydrophobicContact CB-CG2 4.34Å; V953-V971 HydrophobicContact CG1-CG2 4.24Å; V953-V971 HydrophobicContact CG2-CG1 4.41Å; D955-V971 HydrophobicContact CB-CG1 3.92Å; D955-V971 WeakPolarHBondContact O-CG1 3.34Å; V969-V971 HydrophobicContact CB-CG2 4.34Å; V969-V971 HydrophobicContact CG1-CG2 3.55Å; V971-N973 PolarHBondContact O-N 3.14Å; V971-R974 PolarHBondContact N-O 3.14Å; V971-R974 WeakPolarHBondContact O-CB 3.28Å; V971-R974 PolarHBondContact O-N 2.76Å
972	G	95.2	Very high	95.1	Very high	3 Å²	3	30.4 Å²	30.4	3%	0.031	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-120.7	-169.8	0	0	0	0	0	110.6	F956 I998	F956-G972 PolarHBondContact O-N 2.88Å; G972-I998 PolarHBondContact O-N 3.07Å
973	N	95.2	Very high	95	Very high	57 Å²	57	37.5 Å²	37.5	31%	0.305	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	15.4	175.1	73.6	-21.5	0	0	0	114.6	V971 T996	V971-N973 PolarHBondContact O-N 3.14Å; N973-T996 WeakPolarHBondContact CA-O 3.26Å; N973-T996 WeakPolarHBondContact CB-O 3.42Å
974	R	96.3	Very high	95.1	Very high	85 Å²	85	42.8 Å²	42.8	32%	0.321	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.1	-173.8	-51.7	177.5	-174.7	174.1	-3.7	110.6	D954 V971 E990 N991 K992	D954-R974 IonicContact OD2-CZ 3.46Å; D954-R974 IonicContact OD2-NH1 3.04Å; D954-R974 PolarHBondContact OD2-NH1 3.09Å; V971-R974 PolarHBondContact N-O 3.14Å; V971-R974 WeakPolarHBondContact O-CB 3.28Å; V971-R974 PolarHBondContact O-N 2.76Å; R974-E990 HydrophobicContact CB-CG 4.47Å; R974-E990 VanDerWaalsContact CD-OE1 3.29Å; R974-E990 WeakPolarHBondContact CD-OE1 3.32Å; R974-N991 WeakPolarHBondContact CA-O 3.17Å; R974-K992 HydrophobicContact CG-CG 4.45Å
975	L	97.1	Very high	95.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	120.1	173.8	179.8	68.9	0	0	0	109.6	L968 E990 N991 I994 I998 I1001 I1008 V1010 V1020 L1030	L968-L975 HydrophobicContact CD2-CD1 4.14Å; L968-L975 HydrophobicContact CD2-CG 4.33Å; L975-E990 CarbonylContact O-C 3.45Å; L975-E990 VanDerWaalsContact O-CA 3.27Å; L975-E990 WeakPolarHBondContact O-CA 3.41Å; L975-N991 HydrophobicContact CB-CB 4.39Å; L975-N991 PolarHBondContact N-O 3.05Å; L975-N991 PolarHBondContact O-N 2.61Å; L975-I994 HydrophobicContact CB-CD1 3.78Å; L975-I998 HydrophobicContact CB-CD1 4.04Å; L975-I1001 HydrophobicContact CD1-CD1 3.49Å; L975-I1001 VanDerWaalsContact CD1-CD1 3.49Å; L975-I1001 HydrophobicContact CD1-CG1 4.06Å; L975-I1001 HydrophobicContact CD1-CG2 4.44Å; L975-I1008 HydrophobicContact CD2-CG2 4.23Å; L975-V1010 HydrophobicContact CD1-CG2 4.44Å; L975-V1010 HydrophobicContact CD2-CG2 3.85Å; L975-V1020 HydrophobicContact CD2-CG1 4.3Å; L975-V1020 HydrophobicContact CD2-CG2 4.43Å; L975-L1030 HydrophobicContact CD2-CD1 3.89Å; L975-L1030 HydrophobicContact CD2-CD2 4.23Å; L975-L1030 HydrophobicContact CG-CD1 3.96Å
976	R	96.2	Very high	95.5	Very high	11 Å²	11	41.4 Å²	41.4	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.5	-176.8	-66.9	175.7	176.1	165.4	6.6	112	D954 L968 V969 Y978 K987 C989 E990	D954-R976 IonicContact OD1-CZ 2.75Å; D954-R976 IonicContact OD1-NH1 3.08Å; D954-R976 PolarHBondContact OD1-NH1 2.87Å; D954-R976 IonicContact OD1-NH2 2.97Å; D954-R976 PolarHBondContact OD1-NH2 3.15Å; D954-R976 IonicContact OD2-CZ 3.92Å; D954-R976 IonicContact OD2-NH2 3.01Å; D954-R976 PolarHBondContact OD2-NH2 2.81Å; L968-R976 CarbonylContact C-O 3.51Å; L968-R976 WeakPolarHBondContact CA-O 3.18Å; V969-R976 PolarHBondContact N-O 3.12Å; V969-R976 PolarHBondContact O-N 2.81Å; R976-Y978 HydrophobicContact CB-CD2 3.96Å; R976-Y978 HydrophobicContact CB-CE2 3.54Å; R976-Y978 HydrophobicContact CG-CE2 4.32Å; R976-Y978 PolarHBondContact NH1-OH 3.2Å; R976-K987 HydrophobicContact CG-CD 4.14Å; R976-C989 WeakPolarHBondContact CA-O 3.39Å; R976-E990 HydrophobicContact CG-CB 4.12Å; R976-E990 HydrophobicContact CG-CG 3.89Å; R976-E990 IonicContact CZ-OE1 2.68Å; R976-E990 VanDerWaalsContact CZ-OE1 3.28Å; R976-E990 IonicContact NE-OE1 2.83Å; R976-E990 PolarHBondContact NE-OE1 3.04Å; R976-E990 IonicContact NH2-OE1 3.25Å; R976-E990 PolarHBondContact NH2-OE1 2.91Å
977	I	95.6	Very high	95.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.2	164.8	-66.2	170	0	0	0	108.5	R966 L967 L968 K988 C989 Y1022 L1030	R966-I977 HydrophobicContact CB-CG2 3.95Å; R966-I977 HydrophobicContact CG-CG2 4.44Å; L967-I977 CarbonylContact O-C 3.44Å; L967-I977 WeakPolarHBondContact O-CA 3.34Å; L968-I977 HydrophobicContact CD2-CD1 4.19Å; L968-I977 HydrophobicContact CD2-CG1 3.36Å; L968-I977 HydrophobicContact CG-CG1 4.33Å; I977-K988 HydrophobicContact CG2-CB 4.23Å; I977-K988 PolarHBondContact O-N 2.93Å; I977-C989 HydrophobicContact CB-CB 4.17Å; I977-C989 HydrophobicContact CD1-CB 4.13Å; I977-C989 HydrophobicContact CG1-CB 4.4Å; I977-C989 PolarHBondContact N-O 3.4Å; I977-Y1022 HydrophobicContact CD1-CD2 3.43Å; I977-Y1022 VanDerWaalsContact CD1-CD2 3.43Å; I977-Y1022 HydrophobicContact CD1-CE2 3.35Å; I977-Y1022 HydrophobicContact CD1-CG 4.14Å; I977-L1030 HydrophobicContact CD1-CD1 4.28Å; I977-L1030 HydrophobicContact CD1-CD2 4.04Å; I977-L1030 HydrophobicContact CD1-CG 4.2Å; I977-L1030 HydrophobicContact CG1-CD1 4.23Å
978	Y	95.7	Very high	95.3	Very high	11 Å²	11	48.1 Å²	48.1	4%	0.043	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142.7	175.5	-80	-87	0	0	0	111.2	R966 L967 V969 R976 L985 L986 K987	R966-Y978 WeakPolarHBondContact CB-O 3.36Å; L967-Y978 PolarHBondContact N-O 2.79Å; L967-Y978 PolarHBondContact O-N 3.25Å; V969-Y978 HydrophobicContact CB-CD2 4Å; V969-Y978 HydrophobicContact CB-CE2 4.11Å; V969-Y978 HydrophobicContact CG2-CD2 3.55Å; V969-Y978 HydrophobicContact CG2-CE2 4.06Å; V969-Y978 HydrophobicContact CG2-CG 4.43Å; R976-Y978 HydrophobicContact CB-CD2 3.96Å; R976-Y978 HydrophobicContact CB-CE2 3.54Å; R976-Y978 HydrophobicContact CG-CE2 4.32Å; R976-Y978 PolarHBondContact NH1-OH 3.2Å; Y978-L985 HydrophobicContact CD1-CB 3.49Å; Y978-L985 VanDerWaalsContact CD1-CB 3.49Å; Y978-L985 HydrophobicContact CE1-CB 4.27Å; Y978-L985 HydrophobicContact CG-CB 4.09Å; Y978-L986 WeakPolarHBondContact CA-O 3.18Å; Y978-K987 HydrophobicContact CD1-CB 4.28Å; Y978-K987 HydrophobicContact CE1-CB 3.85Å
979	D	95.2	Very high	95.1	Very high	13 Å²	13	48.7 Å²	48.7	7%	0.07	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	157.3	171.9	-165.7	9.9	0	0	0	109.8	N906 G981 L985 L986 K988	N906-D979 PolarHBondContact ND2-OD1 2.81Å; D979-G981 PolarHBondContact O-N 3.23Å; D979-L985 CarbonylContact O-C 3.57Å; D979-L985 WeakPolarHBondContact O-CA 3.21Å; D979-L986 PolarHBondContact N-O 3.5Å; D979-L986 PolarHBondContact O-N 2.77Å; D979-K988 HydrophobicContact CB-CD 4.26Å; D979-K988 HydrophobicContact CB-CG 3.88Å; D979-K988 WeakPolarHBondContact OD2-CE 3.07Å; D979-K988 IonicContact OD2-NZ 3.96Å
980	L	95.3	Very high	94.9	Very high	17 Å²	17	50.9 Å²	50.9	9%	0.089	23%	0.232	C	C	.	.			trans	-74	120	-177.9	-174.9	65.2	0	0	0	110.5	F904 N906 F912 T935 L985	F904-L980 HydrophobicContact CB-CB 3.91Å; F904-L980 HydrophobicContact CB-CD2 4.23Å; F904-L980 HydrophobicContact CD1-CB 3.69Å; F904-L980 HydrophobicContact CD2-CB 3.72Å; F904-L980 HydrophobicContact CD2-CD1 4.28Å; F904-L980 HydrophobicContact CD2-CD2 3.83Å; F904-L980 HydrophobicContact CD2-CG 4.16Å; F904-L980 HydrophobicContact CE1-CB 4.06Å; F904-L980 HydrophobicContact CE2-CB 4.08Å; F904-L980 HydrophobicContact CE2-CD1 4.12Å; F904-L980 HydrophobicContact CE2-CD2 4.47Å; F904-L980 HydrophobicContact CE2-CG 4.46Å; F904-L980 HydrophobicContact CG-CB 3.5Å; F904-L980 HydrophobicContact CG-CD2 4.19Å; F904-L980 HydrophobicContact CG-CG 4.39Å; F904-L980 HydrophobicContact CZ-CB 4.23Å; N906-L980 PolarHBondContact ND2-O 3.32Å; F912-L980 HydrophobicContact CD2-CD2 4.35Å; F912-L980 HydrophobicContact CE1-CD2 4.07Å; F912-L980 HydrophobicContact CE2-CD2 3.9Å; F912-L980 HydrophobicContact CZ-CD2 3.74Å; T935-L980 HydrophobicContact CG2-CD1 4.31Å; L980-L985 HydrophobicContact CD1-CD2 3.95Å
981	G	93.1	Very high	94.7	Very high	13 Å²	13	51.2 Å²	51.2	13%	0.134	23%	0.234	C	C	.	.			trans	-107.9	170.9	168.6	0	0	0	0	0	111.3	H949 D979 K984	H949-G981 PolarHBondContact NE2-O 2.69Å; D979-G981 PolarHBondContact O-N 3.23Å; G981-K984 CarbonylContact C-O 3.5Å; G981-K984 WeakPolarHBondContact CA-O 3.46Å; G981-K984 PolarHBondContact N-O 3.16Å
982	K	90.8	Very high	94.5	Very high	212 Å²	212	57.1 Å²	57.1	92%	0.922	26%	0.26	S	S	*	.	S	Bend	trans	-71.6	-38.7	-177.3	-64.7	-174.5	177.9	-176.1	0	113.9
983	K	93.4	Very high	94.3	Very high	187 Å²	187	63.3 Å²	63.3	81%	0.813	29%	0.288	S	S	*	.	S	Bend	trans	-107.5	-19.1	-176.2	-67.9	-171.5	176.4	-173.6	0	113.8	H949	H949-K983 WeakPolarHBondContact CB-O 3.36Å
984	K	95.4	Very high	94.3	Very high	118 Å²	118	60.7 Å²	60.7	51%	0.513	27%	0.274	S	S	.	.	S	Bend	trans	-167.6	162.8	-176.8	62.5	179.6	-175.8	179.5	0	109.3	T951 G981	T951-K984 HydrophobicContact CG2-CB 4.12Å; T951-K984 WeakPolarHBondContact OG1-CA 3.3Å; T951-K984 WeakPolarHBondContact OG1-CB 3.36Å; G981-K984 CarbonylContact C-O 3.5Å; G981-K984 WeakPolarHBondContact CA-O 3.46Å; G981-K984 PolarHBondContact N-O 3.16Å
985	L	96.4	Very high	94.1	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.021	28%	0.278	C	S	.	.			trans	-68.7	141.7	169.4	-59.2	175.7	0	0	0	110.7	F904 L933 T951 L967 Y978 D979 L980	F904-L985 HydrophobicContact CZ-CD2 4.01Å; L933-L985 HydrophobicContact CB-CD1 4.16Å; L933-L985 HydrophobicContact CD1-CD1 3.84Å; T951-L985 HydrophobicContact CG2-CB 4.23Å; T951-L985 PolarHBondContact OG1-N 3.14Å; L967-L985 HydrophobicContact CD2-CD1 3.75Å; Y978-L985 HydrophobicContact CD1-CB 3.49Å; Y978-L985 VanDerWaalsContact CD1-CB 3.49Å; Y978-L985 HydrophobicContact CE1-CB 4.27Å; Y978-L985 HydrophobicContact CG-CB 4.09Å; D979-L985 CarbonylContact O-C 3.57Å; D979-L985 WeakPolarHBondContact O-CA 3.21Å; L980-L985 HydrophobicContact CD1-CD2 3.95Å
986	L	95.6	Very high	94	Very high	74 Å²	74	61.6 Å²	61.6	39%	0.387	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.9	-177	-57.9	178.9	0	0	0	110.2	Y978 D979 K988	Y978-L986 WeakPolarHBondContact CA-O 3.18Å; D979-L986 PolarHBondContact N-O 3.5Å; D979-L986 PolarHBondContact O-N 2.77Å; L986-K988 PolarHBondContact O-N 3.08Å
987	K	94.4	Very high	93.9	Very high	106 Å²	106	62.6 Å²	62.6	46%	0.461	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	121.9	174.7	-171.8	176.5	72.7	168.4	0	109.9	R976 Y978 E990	R976-K987 HydrophobicContact CG-CD 4.14Å; Y978-K987 HydrophobicContact CD1-CB 4.28Å; Y978-K987 HydrophobicContact CE1-CB 3.85Å; K987-E990 HydrophobicContact CD-CB 4.42Å; K987-E990 IonicContact NZ-OE2 3.36Å; K987-E990 PolarHBondContact NZ-OE2 3.39Å
988	K	92.5	Very high	94	Very high	98 Å²	98	62.6 Å²	62.6	43%	0.426	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-40.4	-179.3	-62.4	-62.7	-176.7	172.4	0	113.2	I977 D979 L986	I977-K988 HydrophobicContact CG2-CB 4.23Å; I977-K988 PolarHBondContact O-N 2.93Å; D979-K988 HydrophobicContact CB-CD 4.26Å; D979-K988 HydrophobicContact CB-CG 3.88Å; D979-K988 WeakPolarHBondContact OD2-CE 3.07Å; D979-K988 IonicContact OD2-NZ 3.96Å; L986-K988 PolarHBondContact O-N 3.08Å
989	C	91.5	Very high	94	Very high	12 Å²	12	63.5 Å²	63.5	8%	0.081	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	154.5	-178.9	179.8	0	0	0	0	109.3	R976 I977 S1028 L1030	R976-C989 WeakPolarHBondContact CA-O 3.39Å; I977-C989 HydrophobicContact CB-CB 4.17Å; I977-C989 HydrophobicContact CD1-CB 4.13Å; I977-C989 HydrophobicContact CG1-CB 4.4Å; I977-C989 PolarHBondContact N-O 3.4Å; C989-S1028 VanDerWaalsContact CB-O 3.3Å; C989-S1028 WeakPolarHBondContact CB-O 3.46Å; C989-S1028 PolarHBondContact SG-O 3.39Å; C989-L1030 HydrophobicContact CB-CD1 4.46Å; C989-L1030 VanDerWaalsContact SG-CG 3.58Å
990	E	93.7	Very high	94	Very high	46 Å²	46	63.2 Å²	63.2	22%	0.215	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	133.1	175.4	-179.6	170.1	-144.6	0	0	110.1	R974 L975 R976 K987 K992	R974-E990 HydrophobicContact CB-CG 4.47Å; R974-E990 VanDerWaalsContact CD-OE1 3.29Å; R974-E990 WeakPolarHBondContact CD-OE1 3.32Å; L975-E990 CarbonylContact O-C 3.45Å; L975-E990 VanDerWaalsContact O-CA 3.27Å; L975-E990 WeakPolarHBondContact O-CA 3.41Å; R976-E990 HydrophobicContact CG-CB 4.12Å; R976-E990 HydrophobicContact CG-CG 3.89Å; R976-E990 IonicContact CZ-OE1 2.68Å; R976-E990 VanDerWaalsContact CZ-OE1 3.28Å; R976-E990 IonicContact NE-OE1 2.83Å; R976-E990 PolarHBondContact NE-OE1 3.04Å; R976-E990 IonicContact NH2-OE1 3.25Å; R976-E990 PolarHBondContact NH2-OE1 2.91Å; K987-E990 HydrophobicContact CD-CB 4.42Å; K987-E990 IonicContact NZ-OE2 3.36Å; K987-E990 PolarHBondContact NZ-OE2 3.39Å; E990-K992 HydrophobicContact CG-CG 4Å
991	N	93.2	Very high	94.1	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.037	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.8	164.9	-179.4	-67.3	0	0	0	108.9	R974 L975 H993 L1030	R974-N991 WeakPolarHBondContact CA-O 3.17Å; L975-N991 HydrophobicContact CB-CB 4.39Å; L975-N991 PolarHBondContact N-O 3.05Å; L975-N991 PolarHBondContact O-N 2.61Å; N991-H993 PolarHBondContact OD1-N 3.24Å; N991-L1030 HydrophobicContact CB-CB 3.79Å; N991-L1030 HydrophobicContact CB-CD1 4.25Å; N991-L1030 PolarHBondContact ND2-O 2.61Å
992	K	93	Very high	94.3	Very high	125 Å²	125	64.8 Å²	64.8	54%	0.543	30%	0.303	S	S	.	.			trans	-122.9	13.7	-176.5	-55.8	179	-176.7	173.9	0	113	R974 E990	R974-K992 HydrophobicContact CG-CG 4.45Å; E990-K992 HydrophobicContact CG-CG 4Å
993	H	90.7	Very high	94.4	Very high	133 Å²	133	56.8 Å²	56.8	62%	0.616	27%	0.274	S	S	*	.			trans	-96.3	-0.7	-172.6	-63.2	-72.6	0	0	0	113.3	N991 I1032	N991-H993 PolarHBondContact OD1-N 3.24Å; H993-I1032 HydrophobicContact CB-CD1 3.7Å
994	I	94.4	Very high	94.3	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	25%	0.247	C	C	.	.			trans	-75.1	133.6	173.6	-63.1	159	0	0	0	107.9	L975 I998 V1010 I1032	L975-I994 HydrophobicContact CB-CD1 3.78Å; I994-I998 HydrophobicContact CB-CG1 4.49Å; I994-I998 HydrophobicContact CD1-CD1 3.49Å; I994-I998 VanDerWaalsContact CD1-CD1 3.49Å; I994-I998 HydrophobicContact CD1-CG1 3.93Å; I994-I998 HydrophobicContact CG2-CD1 4.49Å; I994-I998 HydrophobicContact CG2-CG1 3.86Å; I994-V1010 HydrophobicContact CD1-CB 4.42Å; I994-V1010 HydrophobicContact CD1-CG1 3.89Å; I994-V1010 HydrophobicContact CD1-CG2 4.33Å; I994-I1032 HydrophobicContact CG1-CD1 4.16Å
995	P	93.2	Very high	94	Very high	64 Å²	64	47.1 Å²	47.1	42%	0.416	25%	0.252	S	S	.	.			trans	-72.2	-45	-166.5	25.4	-33.1	0	0	0	113.4	E1015 H1018	P995-E1015 HydrophobicContact CB-CG 4.19Å; P995-E1015 HydrophobicContact CG-CB 3.63Å; P995-E1015 HydrophobicContact CG-CG 3.61Å; P995-H1018 WeakPolarHBondContact CD-NE2 3.31Å
996	T	94.3	Very high	93.6	Very high	41 Å²	41	48.7 Å²	48.7	25%	0.252	26%	0.263	S	S	.	.	S	Bend	trans	-129.7	-153.4	-174.1	90.1	0	0	0	0	111.8	N973 I998 D1012 V1013 E1015	N973-T996 WeakPolarHBondContact CA-O 3.26Å; N973-T996 WeakPolarHBondContact CB-O 3.42Å; T996-I998 PolarHBondContact O-N 3.31Å; T996-D1012 VanDerWaalsContact C-OD2 3.31Å; T996-D1012 VanDerWaalsContact CA-OD2 3.32Å; T996-D1012 WeakPolarHBondContact CA-OD2 3.31Å; T996-D1012 PolarHBondContact N-OD2 3.37Å; T996-D1012 PolarHBondContact OG1-OD1 3.42Å; T996-D1012 PolarHBondContact OG1-OD2 2.68Å; T996-D1012 VanDerWaalsContact OG1-OD2 3.05Å; T996-V1013 VanDerWaalsContact OG1-CG1 3.26Å; T996-V1013 WeakPolarHBondContact OG1-CG1 3.47Å; T996-E1015 HydrophobicContact CG2-CG 4.49Å
997	L	95.2	Very high	93.5	Very high	32 Å²	32	47.1 Å²	47.1	17%	0.168	25%	0.252	C	S	.	.			trans	-72.3	124.8	-175	176.7	67.4	0	0	0	111.4	F956 A958 N999 V1013	F956-L997 HydrophobicContact CB-CD1 4.49Å; F956-L997 HydrophobicContact CD1-CD1 4.01Å; F956-L997 HydrophobicContact CD1-CD2 3.97Å; F956-L997 HydrophobicContact CE1-CD2 4.16Å; A958-L997 HydrophobicContact CB-CD1 4.22Å; L997-N999 PolarHBondContact O-N 3.31Å; L997-V1013 HydrophobicContact CB-CB 4.38Å; L997-V1013 HydrophobicContact CB-CG1 3.82Å; L997-V1013 PolarHBondContact O-N 3.08Å
998	I	97.2	Very high	93.6	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	119	171.3	-61	167.1	0	0	0	109.1	A958 A959 G972 L975 I994 T996 I1001 V1010	A958-I998 VanDerWaalsContact CB-O 3.22Å; A958-I998 WeakPolarHBondContact CB-O 3.47Å; A959-I998 HydrophobicContact CB-CG2 4.17Å; G972-I998 PolarHBondContact O-N 3.07Å; L975-I998 HydrophobicContact CB-CD1 4.04Å; I994-I998 HydrophobicContact CB-CG1 4.49Å; I994-I998 HydrophobicContact CD1-CD1 3.49Å; I994-I998 VanDerWaalsContact CD1-CD1 3.49Å; I994-I998 HydrophobicContact CD1-CG1 3.93Å; I994-I998 HydrophobicContact CG2-CD1 4.49Å; I994-I998 HydrophobicContact CG2-CG1 3.86Å; T996-I998 PolarHBondContact O-N 3.31Å; I998-I1001 HydrophobicContact CG2-CD1 4.19Å; I998-I1001 HydrophobicContact CG2-CG1 3.85Å; I998-V1010 HydrophobicContact CB-CG1 4.31Å; I998-V1010 HydrophobicContact CD1-CG1 4.29Å; I998-V1010 HydrophobicContact CG1-CG1 3.91Å; I998-V1010 HydrophobicContact CG2-CG1 3.57Å
999	N	95	Very high	93.8	Very high	30 Å²	30	37.6 Å²	37.6	16%	0.16	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-10.2	178.9	68.7	-6.3	0	0	0	114.4	L997 T1011 I1042	L997-N999 PolarHBondContact O-N 3.31Å; N999-T1011 PolarHBondContact N-O 3.01Å; N999-T1011 VanDerWaalsContact OD1-CB 3.27Å; N999-T1011 WeakPolarHBondContact OD1-CB 3.27Å; N999-T1011 PolarHBondContact OD1-O 2.81Å; N999-T1011 PolarHBondContact OD1-OG1 3.38Å; N999-I1042 PolarHBondContact ND2-O 3.05Å
1000	G	96	Very high	94.1	Very high	6 Å²	6	37 Å²	37	6%	0.062	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	146.9	179.1	0	0	0	0	0	112.7	T1011	G1000-T1011 WeakPolarHBondContact CA-OG1 3.16Å; G1000-T1011 PolarHBondContact N-OG1 2.75Å; G1000-T1011 PolarHBondContact O-N 2.86Å; G1000-T1011 PolarHBondContact O-OG1 3.32Å
1001	I	97.3	Very high	94.3	Very high	9 Å²	9	34.9 Å²	34.9	5%	0.046	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	129.3	178.8	-58.7	166.8	0	0	0	108.1	A959 C961 L968 L975 I998 I1008	A959-I1001 HydrophobicContact CB-CB 4.49Å; A959-I1001 HydrophobicContact CB-CD1 3.92Å; A959-I1001 HydrophobicContact CB-CG1 3.83Å; C961-I1001 HydrophobicContact CB-CB 3.83Å; C961-I1001 HydrophobicContact CB-CG2 3.59Å; C961-I1001 WeakPolarHBondContact CB-O 3.39Å; L968-I1001 HydrophobicContact CB-CD1 4.45Å; L968-I1001 HydrophobicContact CB-CG2 4.05Å; L968-I1001 HydrophobicContact CD1-CG2 3.91Å; L975-I1001 HydrophobicContact CD1-CD1 3.49Å; L975-I1001 VanDerWaalsContact CD1-CD1 3.49Å; L975-I1001 HydrophobicContact CD1-CG1 4.06Å; L975-I1001 HydrophobicContact CD1-CG2 4.44Å; I998-I1001 HydrophobicContact CG2-CD1 4.19Å; I998-I1001 HydrophobicContact CG2-CG1 3.85Å; I1001-I1008 HydrophobicContact CG2-CG2 3.89Å
1002	Y	96.2	Very high	94.4	Very high	55 Å²	55	34.5 Å²	34.5	22%	0.216	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.7	179.2	-55.8	-98.6	0	0	0	109	I1008 I1009 T1011 L1045	Y1002-I1008 CarbonylContact O-C 3.58Å; Y1002-I1008 WeakPolarHBondContact O-CA 3.48Å; Y1002-I1009 PolarHBondContact N-O 2.97Å; Y1002-I1009 PolarHBondContact O-N 2.67Å; Y1002-T1011 HydrophobicContact CE2-CG2 4.24Å; Y1002-L1045 HydrophobicContact CD1-CD2 4.09Å; Y1002-L1045 HydrophobicContact CD2-CB 4.13Å; Y1002-L1045 HydrophobicContact CD2-CD2 3.7Å; Y1002-L1045 HydrophobicContact CD2-CG 4.33Å; Y1002-L1045 HydrophobicContact CE1-CD2 4.33Å; Y1002-L1045 WeakPolarHBondContact CE1-O 3.5Å; Y1002-L1045 HydrophobicContact CE2-CB 3.58Å; Y1002-L1045 HydrophobicContact CE2-CD2 4Å; Y1002-L1045 HydrophobicContact CE2-CG 4.27Å; Y1002-L1045 HydrophobicContact CG-CD2 3.76Å; Y1002-L1045 PolarHBondContact OH-N 3.06Å; Y1002-L1045 PolarHBondContact OH-O 3.44Å; Y1002-L1045 VanDerWaalsContact OH-O 3.12Å
1003	S	94.1	Very high	94.5	Very high	44 Å²	44	29.8 Å²	29.8	31%	0.308	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.6	179.6	68.1	0	0	0	0	111.9	R1007	S1003-R1007 WeakPolarHBondContact CA-O 3.44Å
1004	V	92.2	Very high	94.8	Very high	41 Å²	41	26.7 Å²	26.7	25%	0.248	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	101.4	173.9	-170.6	0	0	0	0	108.7	S1006 R1007 I1009 V1047 A1050	V1004-S1006 PolarHBondContact O-N 3.2Å; V1004-R1007 PolarHBondContact N-O 3.4Å; V1004-R1007 PolarHBondContact O-N 2.95Å; V1004-I1009 HydrophobicContact CG2-CD1 4.05Å; V1004-V1047 HydrophobicContact CG2-CB 4.34Å; V1004-V1047 HydrophobicContact CG2-CG1 3.45Å; V1004-V1047 VanDerWaalsContact CG2-CG1 3.45Å; V1004-V1047 HydrophobicContact CG2-CG2 4Å; V1004-A1050 HydrophobicContact CG1-CB 4.19Å
1005	G	87.9	Confident	94.8	Very high	61 Å²	61	29.8 Å²	29.8	63%	0.629	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	-99.1	-174.9	0	0	0	0	0	112.1	F963 Q964	F963-G1005 WeakPolarHBondContact CE2-O 3.21Å; Q964-G1005 PolarHBondContact NE2-O 2.92Å
1006	S	88	Confident	95	Very high	36 Å²	36	26.7 Å²	26.7	25%	0.252	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-11.9	178.2	23.5	0	0	0	0	114.8	V1004 R1021 Y1022	V1004-S1006 PolarHBondContact O-N 3.2Å; S1006-R1021 VanDerWaalsContact OG-CZ 3.27Å; S1006-R1021 PolarHBondContact OG-NH1 2.95Å; S1006-R1021 PolarHBondContact OG-NH2 3.47Å; S1006-Y1022 PolarHBondContact O-N 3.05Å
1007	R	93	Very high	95.1	Very high	41 Å²	41	24.8 Å²	24.8	16%	0.155	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	139.4	176.8	-65.6	176.9	179.8	177.9	-4.8	108.4	S1003 V1004 F1033 A1050 S1051 D1073	S1003-R1007 WeakPolarHBondContact CA-O 3.44Å; V1004-R1007 PolarHBondContact N-O 3.4Å; V1004-R1007 PolarHBondContact O-N 2.95Å; R1007-F1033 HydrophobicContact CG-CE1 4.48Å; R1007-F1033 HydrophobicContact CG-CZ 4.41Å; R1007-A1050 PolarHBondContact NH1-O 2.67Å; R1007-S1051 PolarHBondContact NH1-OG 3.23Å; R1007-D1073 IonicContact CZ-OD2 2.63Å; R1007-D1073 VanDerWaalsContact CZ-OD2 3.28Å; R1007-D1073 IonicContact NE-OD2 3.28Å; R1007-D1073 PolarHBondContact NE-OD2 3.28Å; R1007-D1073 IonicContact NH2-OD2 2.74Å; R1007-D1073 PolarHBondContact NH2-OD2 3.22Å
1008	I	96.3	Very high	95.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.8	174.6	-60.7	162.4	0	0	0	105.7	F963 L968 L975 I1001 Y1002 V1010 V1020 L1030	F963-I1008 HydrophobicContact CD1-CD1 4.34Å; F963-I1008 HydrophobicContact CD2-CG1 4.3Å; F963-I1008 HydrophobicContact CE1-CD1 3.95Å; F963-I1008 HydrophobicContact CE1-CG1 4.44Å; F963-I1008 HydrophobicContact CE2-CD1 4.34Å; F963-I1008 HydrophobicContact CE2-CG1 3.93Å; F963-I1008 HydrophobicContact CZ-CD1 3.95Å; F963-I1008 HydrophobicContact CZ-CG1 4Å; L968-I1008 HydrophobicContact CD1-CB 4.47Å; L968-I1008 HydrophobicContact CD1-CD1 3.66Å; L968-I1008 HydrophobicContact CD1-CG1 3.76Å; L968-I1008 HydrophobicContact CD1-CG2 3.88Å; L968-I1008 HydrophobicContact CD2-CD1 3.96Å; L968-I1008 HydrophobicContact CG-CD1 4.45Å; L975-I1008 HydrophobicContact CD2-CG2 4.23Å; I1001-I1008 HydrophobicContact CG2-CG2 3.89Å; Y1002-I1008 CarbonylContact O-C 3.58Å; Y1002-I1008 WeakPolarHBondContact O-CA 3.48Å; I1008-V1010 HydrophobicContact CG2-CG2 4.05Å; I1008-V1020 HydrophobicContact CB-CB 4.1Å; I1008-V1020 PolarHBondContact N-O 3.5Å; I1008-V1020 PolarHBondContact O-N 3.3Å; I1008-L1030 HydrophobicContact CD1-CD2 3.42Å; I1008-L1030 VanDerWaalsContact CD1-CD2 3.42Å
1009	I	97.2	Very high	95.1	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.7	179.5	-57	156	0	0	0	105.7	Y1002 V1004 V1017 L1045 V1047 V1053	Y1002-I1009 PolarHBondContact N-O 2.97Å; Y1002-I1009 PolarHBondContact O-N 2.67Å; V1004-I1009 HydrophobicContact CG2-CD1 4.05Å; I1009-V1017 HydrophobicContact CG2-CG1 3.3Å; I1009-L1045 HydrophobicContact CG2-CD1 3.63Å; I1009-L1045 HydrophobicContact CG2-CD2 4.49Å; I1009-V1047 HydrophobicContact CD1-CG2 4.01Å; I1009-V1053 HydrophobicContact CD1-CG1 3.76Å; I1009-V1053 HydrophobicContact CG2-CG1 4.35Å
1010	V	97.6	Very high	95.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.1	-178	-170.5	0	0	0	0	108.5	L975 I994 I998 I1008 V1017 H1018 V1020	L975-V1010 HydrophobicContact CD1-CG2 4.44Å; L975-V1010 HydrophobicContact CD2-CG2 3.85Å; I994-V1010 HydrophobicContact CD1-CB 4.42Å; I994-V1010 HydrophobicContact CD1-CG1 3.89Å; I994-V1010 HydrophobicContact CD1-CG2 4.33Å; I998-V1010 HydrophobicContact CB-CG1 4.31Å; I998-V1010 HydrophobicContact CD1-CG1 4.29Å; I998-V1010 HydrophobicContact CG1-CG1 3.91Å; I998-V1010 HydrophobicContact CG2-CG1 3.57Å; I1008-V1010 HydrophobicContact CG2-CG2 4.05Å; V1010-V1017 WeakPolarHBondContact O-CA 3.34Å; V1010-H1018 PolarHBondContact N-O 2.79Å; V1010-H1018 PolarHBondContact O-N 2.79Å; V1010-V1020 HydrophobicContact CG2-CG2 3.96Å
1011	T	97.5	Very high	95	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.5	172.4	57.8	0	0	0	0	109.1	N999 G1000 Y1002 V1017 I1042 L1045	N999-T1011 PolarHBondContact N-O 3.01Å; N999-T1011 VanDerWaalsContact OD1-CB 3.27Å; N999-T1011 WeakPolarHBondContact OD1-CB 3.27Å; N999-T1011 PolarHBondContact OD1-O 2.81Å; N999-T1011 PolarHBondContact OD1-OG1 3.38Å; G1000-T1011 WeakPolarHBondContact CA-OG1 3.16Å; G1000-T1011 PolarHBondContact N-OG1 2.75Å; G1000-T1011 PolarHBondContact O-N 2.86Å; G1000-T1011 PolarHBondContact O-OG1 3.32Å; Y1002-T1011 HydrophobicContact CE2-CG2 4.24Å; T1011-V1017 HydrophobicContact CG2-CG2 4.45Å; T1011-I1042 HydrophobicContact CG2-CD1 4.11Å; T1011-I1042 HydrophobicContact CG2-CG2 3.9Å; T1011-L1045 HydrophobicContact CG2-CB 3.78Å; T1011-L1045 HydrophobicContact CG2-CD1 3.56Å; T1011-L1045 HydrophobicContact CG2-CG 4.32Å
1012	D	97.1	Very high	94.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	146.5	171.8	-173.4	-78.9	0	0	0	108.9	T996 Q1014 E1015 S1016	T996-D1012 VanDerWaalsContact C-OD2 3.31Å; T996-D1012 VanDerWaalsContact CA-OD2 3.32Å; T996-D1012 WeakPolarHBondContact CA-OD2 3.31Å; T996-D1012 PolarHBondContact N-OD2 3.37Å; T996-D1012 PolarHBondContact OG1-OD1 3.42Å; T996-D1012 PolarHBondContact OG1-OD2 2.68Å; T996-D1012 VanDerWaalsContact OG1-OD2 3.05Å; D1012-Q1014 PolarHBondContact O-N 2.73Å; D1012-Q1014 PolarHBondContact OD1-N 3.01Å; D1012-E1015 HydrophobicContact CB-CB 4.22Å; D1012-E1015 PolarHBondContact OD1-N 3.05Å; D1012-S1016 PolarHBondContact N-O 2.84Å
1013	V	95.2	Very high	94.1	Very high	25 Å²	25	22.9 Å²	22.9	15%	0.152	13%	0.132	C	C	.	.	S	Bend	trans	-64.4	-19.9	-178.7	68.7	0	0	0	0	113	T996 L997 W1041	T996-V1013 VanDerWaalsContact OG1-CG1 3.26Å; T996-V1013 WeakPolarHBondContact OG1-CG1 3.47Å; L997-V1013 HydrophobicContact CB-CB 4.38Å; L997-V1013 HydrophobicContact CB-CG1 3.82Å; L997-V1013 PolarHBondContact O-N 3.08Å; V1013-W1041 HydrophobicContact CG2-CE3 4.49Å; V1013-W1041 WeakPolarHBondContact O-CA 3.27Å
1014	Q	96	Very high	93.3	Very high	68 Å²	68	24.2 Å²	24.2	32%	0.318	14%	0.139	S	C	.	.	S	Bend	trans	-132.2	-41.3	-177.6	-177.5	-175.9	-45	0	0	113.2	D1012 S1016 P1039 R1040 W1041	D1012-Q1014 PolarHBondContact O-N 2.73Å; D1012-Q1014 PolarHBondContact OD1-N 3.01Å; Q1014-S1016 VanDerWaalsContact C-N 3.28Å; Q1014-S1016 PolarHBondContact O-N 3.18Å; Q1014-P1039 CarbonylContact O-C 3.5Å; Q1014-P1039 WeakPolarHBondContact O-CA 3.32Å; Q1014-R1040 CarbonylContact C-O 3.48Å; Q1014-R1040 CarbonylContact O-C 3.59Å; Q1014-R1040 PolarHBondContact O-N 3.45Å; Q1014-W1041 HydrophobicContact CB-CD2 4.42Å; Q1014-W1041 HydrophobicContact CB-CE3 4.25Å; Q1014-W1041 HydrophobicContact CB-CH2 4.2Å; Q1014-W1041 HydrophobicContact CB-CZ2 4.37Å; Q1014-W1041 HydrophobicContact CB-CZ3 4.13Å; Q1014-W1041 HydrophobicContact CG-CD2 4.37Å; Q1014-W1041 HydrophobicContact CG-CH2 3.97Å; Q1014-W1041 HydrophobicContact CG-CZ2 3.74Å; Q1014-W1041 HydrophobicContact CG-CZ3 4.38Å
1015	E	95.6	Very high	92.2	Very high	67 Å²	67	34 Å²	34	31%	0.313	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-92.6	32.8	-171.1	-61.9	-57.4	141.8	0	0	113.5	P995 T996 D1012	P995-E1015 HydrophobicContact CB-CG 4.19Å; P995-E1015 HydrophobicContact CG-CB 3.63Å; P995-E1015 HydrophobicContact CG-CG 3.61Å; T996-E1015 HydrophobicContact CG2-CG 4.49Å; D1012-E1015 HydrophobicContact CB-CB 4.22Å; D1012-E1015 PolarHBondContact OD1-N 3.05Å
1016	S	96.2	Very high	90.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.			trans	60.2	-133.9	173.9	-168.9	0	0	0	0	113.2	D1012 Q1014 D1036 N1038 R1040 I1042	D1012-S1016 PolarHBondContact N-O 2.84Å; Q1014-S1016 VanDerWaalsContact C-N 3.28Å; Q1014-S1016 PolarHBondContact O-N 3.18Å; S1016-D1036 VanDerWaalsContact OG-CB 3.31Å; S1016-D1036 WeakPolarHBondContact OG-CB 3.36Å; S1016-D1036 PolarHBondContact OG-OD2 2.98Å; S1016-N1038 VanDerWaalsContact CB-O 3.29Å; S1016-N1038 WeakPolarHBondContact CB-O 3.18Å; S1016-R1040 PolarHBondContact N-O 2.84Å; S1016-R1040 WeakPolarHBondContact OG-CD 3.31Å; S1016-I1042 WeakPolarHBondContact O-CD1 3.25Å
1017	V	96.5	Very high	89.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.8	-172.4	-175.3	0	0	0	0	111.2	I1009 V1010 T1011 W1019 D1035 D1036 I1042 L1045 V1055 L1065	I1009-V1017 HydrophobicContact CG2-CG1 3.3Å; V1010-V1017 WeakPolarHBondContact O-CA 3.34Å; T1011-V1017 HydrophobicContact CG2-CG2 4.45Å; V1017-W1019 HydrophobicContact CB-CE3 4.26Å; V1017-W1019 HydrophobicContact CB-CH2 3.59Å; V1017-W1019 HydrophobicContact CB-CZ2 4.34Å; V1017-W1019 HydrophobicContact CB-CZ3 3.52Å; V1017-W1019 HydrophobicContact CG1-CD2 4.05Å; V1017-W1019 HydrophobicContact CG1-CE3 3.81Å; V1017-W1019 HydrophobicContact CG1-CH2 3.52Å; V1017-W1019 HydrophobicContact CG1-CZ2 3.81Å; V1017-W1019 HydrophobicContact CG1-CZ3 3.51Å; V1017-W1019 HydrophobicContact CG2-CH2 4.43Å; V1017-W1019 WeakPolarHBondContact O-CZ3 3.38Å; V1017-D1035 WeakPolarHBondContact O-CA 3.4Å; V1017-D1036 PolarHBondContact O-N 2.98Å; V1017-I1042 HydrophobicContact CG2-CD1 3.46Å; V1017-I1042 VanDerWaalsContact CG2-CD1 3.46Å; V1017-L1045 HydrophobicContact CG1-CD1 4.2Å; V1017-L1045 HydrophobicContact CG2-CD1 3.91Å; V1017-V1055 HydrophobicContact CG2-CG1 3.62Å; V1017-L1065 HydrophobicContact CB-CD1 4.32Å; V1017-L1065 HydrophobicContact CG2-CD1 3.9Å
1018	H	96.5	Very high	89.2	Confident	12 Å²	12	37.6 Å²	37.6	6%	0.056	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.4	170.3	-58.8	-65.5	0	0	0	110.8	P995 V1010 I1032 D1035	P995-H1018 WeakPolarHBondContact CD-NE2 3.31Å; V1010-H1018 PolarHBondContact N-O 2.79Å; V1010-H1018 PolarHBondContact O-N 2.79Å; H1018-I1032 HydrophobicContact CB-CG2 4.39Å; H1018-D1035 WeakPolarHBondContact ND1-CB 3.34Å
1019	W	96.2	Very high	88.7	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.3	176.1	-70.3	-104.3	0	0	0	110.1	V1017 I1032 F1033 A1034 V1053 L1065 L1067 C1098	V1017-W1019 HydrophobicContact CB-CE3 4.26Å; V1017-W1019 HydrophobicContact CB-CH2 3.59Å; V1017-W1019 HydrophobicContact CB-CZ2 4.34Å; V1017-W1019 HydrophobicContact CB-CZ3 3.52Å; V1017-W1019 HydrophobicContact CG1-CD2 4.05Å; V1017-W1019 HydrophobicContact CG1-CE3 3.81Å; V1017-W1019 HydrophobicContact CG1-CH2 3.52Å; V1017-W1019 HydrophobicContact CG1-CZ2 3.81Å; V1017-W1019 HydrophobicContact CG1-CZ3 3.51Å; V1017-W1019 HydrophobicContact CG2-CH2 4.43Å; V1017-W1019 WeakPolarHBondContact O-CZ3 3.38Å; W1019-I1032 CarbonylContact O-C 3.48Å; W1019-I1032 WeakPolarHBondContact O-CA 3.25Å; W1019-F1033 HydrophobicContact CB-CD1 4.21Å; W1019-F1033 HydrophobicContact CB-CE1 3.61Å; W1019-F1033 HydrophobicContact CB-CE2 4Å; W1019-F1033 HydrophobicContact CB-CZ 3.49Å; W1019-F1033 VanDerWaalsContact CB-CZ 3.49Å; W1019-F1033 HydrophobicContact CG-CZ 4.23Å; W1019-F1033 VanDerWaalsContact O-CD1 3.31Å; W1019-F1033 WeakPolarHBondContact O-CD1 3.38Å; W1019-F1033 PolarHBondContact O-N 2.77Å; W1019-A1034 HydrophobicContact CB-CB 4.24Å; W1019-A1034 HydrophobicContact CE3-CB 4.48Å; W1019-A1034 PolarHBondContact N-O 3.39Å; W1019-V1053 HydrophobicContact CH2-CG2 4.36Å; W1019-V1053 HydrophobicContact CZ2-CG2 3.8Å; W1019-L1065 HydrophobicContact CH2-CB 4.11Å; W1019-L1065 HydrophobicContact CH2-CD1 4.1Å; W1019-L1065 HydrophobicContact CZ2-CB 4.41Å; W1019-L1067 HydrophobicContact CD2-CD2 3.84Å; W1019-L1067 HydrophobicContact CD2-CG 4.42Å; W1019-L1067 HydrophobicContact CE3-CD2 4.41Å; W1019-L1067 HydrophobicContact CG-CD1 4.21Å; W1019-L1067 HydrophobicContact CG-CD2 3.91Å; W1019-L1067 HydrophobicContact CG-CG 4.37Å; W1019-C1098 HydrophobicContact CH2-CB 3.85Å; W1019-C1098 WeakPolarHBondContact CH2-SG 3.39Å; W1019-C1098 HydrophobicContact CZ3-CB 4.1Å; W1019-C1098 WeakPolarHBondContact CZ3-SG 3.48Å
1020	V	95.1	Very high	88.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.4	-174.5	-179.1	0	0	0	0	109.7	L975 I1008 V1010 L1030 V1031 I1032	L975-V1020 HydrophobicContact CD2-CG1 4.3Å; L975-V1020 HydrophobicContact CD2-CG2 4.43Å; I1008-V1020 HydrophobicContact CB-CB 4.1Å; I1008-V1020 PolarHBondContact N-O 3.5Å; I1008-V1020 PolarHBondContact O-N 3.3Å; V1010-V1020 HydrophobicContact CG2-CG2 3.96Å; V1020-L1030 HydrophobicContact CG1-CB 3.92Å; V1020-L1030 HydrophobicContact CG1-CD2 3.8Å; V1020-L1030 HydrophobicContact CG1-CG 4.47Å; V1020-V1031 CarbonylContact C-O 3.56Å; V1020-V1031 VanDerWaalsContact CA-O 3.26Å; V1020-V1031 WeakPolarHBondContact CA-O 3.18Å; V1020-I1032 HydrophobicContact CG2-CG1 3.84Å
1021	R	92.8	Very high	88.1	Confident	50 Å²	50	40 Å²	40	19%	0.189	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.9	171.4	-172.3	64	160.3	95.3	-16	109.4	S1006 R1023 V1031 F1033 D1073	S1006-R1021 VanDerWaalsContact OG-CZ 3.27Å; S1006-R1021 PolarHBondContact OG-NH1 2.95Å; S1006-R1021 PolarHBondContact OG-NH2 3.47Å; R1021-R1023 HydrophobicContact CG-CG 4.44Å; R1021-V1031 PolarHBondContact N-O 3.01Å; R1021-V1031 PolarHBondContact O-N 3.43Å; R1021-F1033 HydrophobicContact CB-CD1 4.01Å; R1021-F1033 HydrophobicContact CB-CE1 4.33Å; R1021-D1073 WeakPolarHBondContact CB-O 3.05Å; R1021-D1073 WeakPolarHBondContact CG-O 3.44Å; R1021-D1073 IonicContact NE-OD1 3.93Å
1022	Y	90.6	Very high	87.8	Confident	6 Å²	6	41.5 Å²	41.5	2%	0.024	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	128.5	167.8	177.8	-118.5	0	0	0	110.6	F963 R966 I977 S1006 P1024 Q1029 L1030	F963-Y1022 AromaticContact CE1-CD1 3.45Å; F963-Y1022 HydrophobicContact CE1-CD1 3.45Å; F963-Y1022 VanDerWaalsContact CE1-CD1 3.45Å; F963-Y1022 HydrophobicContact CE1-CE1 4.18Å; F963-Y1022 AromaticContact CE1-CG 3.68Å; F963-Y1022 HydrophobicContact CE1-CG 3.68Å; F963-Y1022 AromaticContact CZ-CD1 3.9Å; F963-Y1022 HydrophobicContact CZ-CD1 3.9Å; F963-Y1022 HydrophobicContact CZ-CG 4.12Å; R966-Y1022 PolarHBondContact NH1-OH 2.93Å; I977-Y1022 HydrophobicContact CD1-CD2 3.43Å; I977-Y1022 VanDerWaalsContact CD1-CD2 3.43Å; I977-Y1022 HydrophobicContact CD1-CE2 3.35Å; I977-Y1022 HydrophobicContact CD1-CG 4.14Å; S1006-Y1022 PolarHBondContact O-N 3.05Å; Y1022-P1024 HydrophobicContact CD1-CB 4.47Å; Y1022-P1024 HydrophobicContact CE1-CB 3.74Å; Y1022-P1024 HydrophobicContact CE1-CG 4.28Å; Y1022-Q1029 WeakPolarHBondContact CD2-O 3.48Å; Y1022-L1030 HydrophobicContact CD2-CD2 4.05Å; Y1022-L1030 HydrophobicContact CD2-CG 4.44Å
1023	R	85.7	Confident	87.6	Confident	23 Å²	23	41.5 Å²	41.5	9%	0.087	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	100.7	178	-76.1	179.4	163.6	-171.2	-1.6	110.8	R1021 S1028 Q1029 D1074 I1075 E1076	R1021-R1023 HydrophobicContact CG-CG 4.44Å; R1023-S1028 WeakPolarHBondContact O-CA 3.46Å; R1023-S1028 PolarHBondContact O-N 3.39Å; R1023-Q1029 PolarHBondContact N-O 3Å; R1023-Q1029 PolarHBondContact O-N 2.75Å; R1023-D1074 IonicContact CZ-OD1 3.49Å; R1023-D1074 IonicContact NE-OD1 3.61Å; R1023-D1074 PolarHBondContact NE-OD1 3.4Å; R1023-D1074 PolarHBondContact NH2-O 3.13Å; R1023-D1074 IonicContact NH2-OD1 2.79Å; R1023-D1074 PolarHBondContact NH2-OD1 2.85Å; R1023-D1074 IonicContact NH2-OD2 3.31Å; R1023-I1075 PolarHBondContact NH1-O 3.31Å; R1023-I1075 PolarHBondContact NH2-O 3.4Å; R1023-I1075 VanDerWaalsContact NH2-O 3.14Å; R1023-E1076 VanDerWaalsContact NH1-CA 3.3Å
1024	P	76.4	Confident	87.6	Confident	71 Å²	71	40.3 Å²	40.3	46%	0.461	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-24.8	-176.3	26.1	-32.1	0	0	0	114.7	Y1022	Y1022-P1024 HydrophobicContact CD1-CB 4.47Å; Y1022-P1024 HydrophobicContact CE1-CB 3.74Å; Y1022-P1024 HydrophobicContact CE1-CG 4.28Å
1025	R	68.4	Low	87.6	Confident	248 Å²	248	37.5 Å²	37.5	94%	0.936	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-30.6	-164.6	-72.3	-175.4	-178.8	170.4	0.6	115.9
1026	S	58.4	Low	87.6	Confident	72 Å²	72	34.8 Å²	34.8	50%	0.503	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-51.2	-178.2	53	0	0	0	0	111.7
1027	D	66.6	Low	87.5	Confident	93 Å²	93	38.1 Å²	38.1	50%	0.497	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-148.2	8.4	-168.6	-67.2	-61.9	0	0	0	115.8	Q1029	D1027-Q1029 VanDerWaalsContact C-N 3.3Å; D1027-Q1029 VanDerWaalsContact CB-CD 3.48Å; D1027-Q1029 HydrophobicContact CB-CG 3.6Å; D1027-Q1029 PolarHBondContact O-N 3.26Å
1028	S	81.3	Confident	87.4	Confident	47 Å²	47	40.5 Å²	40.5	33%	0.329	21%	0.206	S	C	.	.			trans	48.6	51.7	-170.1	-65.6	0	0	0	0	111.9	C989 R1023	C989-S1028 VanDerWaalsContact CB-O 3.3Å; C989-S1028 WeakPolarHBondContact CB-O 3.46Å; C989-S1028 PolarHBondContact SG-O 3.39Å; R1023-S1028 WeakPolarHBondContact O-CA 3.46Å; R1023-S1028 PolarHBondContact O-N 3.39Å
1029	Q	85.8	Confident	87.3	Confident	39 Å²	39	42.8 Å²	42.8	18%	0.182	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	153.1	-177.4	-74.7	171.6	-6.3	0	0	112.3	Y1022 R1023 D1027 V1031	Y1022-Q1029 WeakPolarHBondContact CD2-O 3.48Å; R1023-Q1029 PolarHBondContact N-O 3Å; R1023-Q1029 PolarHBondContact O-N 2.75Å; D1027-Q1029 VanDerWaalsContact C-N 3.3Å; D1027-Q1029 VanDerWaalsContact CB-CD 3.48Å; D1027-Q1029 HydrophobicContact CB-CG 3.6Å; D1027-Q1029 PolarHBondContact O-N 3.26Å; Q1029-V1031 HydrophobicContact CB-CG2 4.29Å
1030	L	91.2	Very high	87.4	Confident	8 Å²	8	42.9 Å²	42.9	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	108	171.4	-77.8	169.4	0	0	0	107.4	L975 I977 C989 N991 I1008 V1020 Y1022	L975-L1030 HydrophobicContact CD2-CD1 3.89Å; L975-L1030 HydrophobicContact CD2-CD2 4.23Å; L975-L1030 HydrophobicContact CG-CD1 3.96Å; I977-L1030 HydrophobicContact CD1-CD1 4.28Å; I977-L1030 HydrophobicContact CD1-CD2 4.04Å; I977-L1030 HydrophobicContact CD1-CG 4.2Å; I977-L1030 HydrophobicContact CG1-CD1 4.23Å; C989-L1030 HydrophobicContact CB-CD1 4.46Å; C989-L1030 VanDerWaalsContact SG-CG 3.58Å; N991-L1030 HydrophobicContact CB-CB 3.79Å; N991-L1030 HydrophobicContact CB-CD1 4.25Å; N991-L1030 PolarHBondContact ND2-O 2.61Å; I1008-L1030 HydrophobicContact CD1-CD2 3.42Å; I1008-L1030 VanDerWaalsContact CD1-CD2 3.42Å; V1020-L1030 HydrophobicContact CG1-CB 3.92Å; V1020-L1030 HydrophobicContact CG1-CD2 3.8Å; V1020-L1030 HydrophobicContact CG1-CG 4.47Å; Y1022-L1030 HydrophobicContact CD2-CD2 4.05Å; Y1022-L1030 HydrophobicContact CD2-CG 4.44Å
1031	V	90.2	Very high	87.5	Confident	7 Å²	7	47.2 Å²	47.2	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.5	-174	-177.6	0	0	0	0	109.8	V1020 R1021 Q1029 F1033 I1075 D1077	V1020-V1031 CarbonylContact C-O 3.56Å; V1020-V1031 VanDerWaalsContact CA-O 3.26Å; V1020-V1031 WeakPolarHBondContact CA-O 3.18Å; R1021-V1031 PolarHBondContact N-O 3.01Å; R1021-V1031 PolarHBondContact O-N 3.43Å; Q1029-V1031 HydrophobicContact CB-CG2 4.29Å; V1031-F1033 PolarHBondContact O-N 2.81Å; V1031-I1075 HydrophobicContact CG1-CB 4.3Å; V1031-D1077 HydrophobicContact CG1-CB 4.49Å; V1031-D1077 HydrophobicContact CG2-CB 4.05Å
1032	I	92.7	Very high	87.7	Confident	33 Å²	33	44.8 Å²	44.8	17%	0.169	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	120.6	172	-58.7	167.6	0	0	0	107.5	H993 I994 H1018 W1019 V1020 A1094	H993-I1032 HydrophobicContact CB-CD1 3.7Å; I994-I1032 HydrophobicContact CG1-CD1 4.16Å; H1018-I1032 HydrophobicContact CB-CG2 4.39Å; W1019-I1032 CarbonylContact O-C 3.48Å; W1019-I1032 WeakPolarHBondContact O-CA 3.25Å; V1020-I1032 HydrophobicContact CG2-CG1 3.84Å; I1032-A1094 HydrophobicContact CG2-CB 4.07Å
1033	F	92.9	Very high	87.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-22.8	-177.6	70.6	-91.7	0	0	0	113.8	R1007 W1019 R1021 V1031 L1067 V1071 D1073 I1075 Q1096	R1007-F1033 HydrophobicContact CG-CE1 4.48Å; R1007-F1033 HydrophobicContact CG-CZ 4.41Å; W1019-F1033 HydrophobicContact CB-CD1 4.21Å; W1019-F1033 HydrophobicContact CB-CE1 3.61Å; W1019-F1033 HydrophobicContact CB-CE2 4Å; W1019-F1033 HydrophobicContact CB-CZ 3.49Å; W1019-F1033 VanDerWaalsContact CB-CZ 3.49Å; W1019-F1033 HydrophobicContact CG-CZ 4.23Å; W1019-F1033 VanDerWaalsContact O-CD1 3.31Å; W1019-F1033 WeakPolarHBondContact O-CD1 3.38Å; W1019-F1033 PolarHBondContact O-N 2.77Å; R1021-F1033 HydrophobicContact CB-CD1 4.01Å; R1021-F1033 HydrophobicContact CB-CE1 4.33Å; V1031-F1033 PolarHBondContact O-N 2.81Å; F1033-L1067 HydrophobicContact CE2-CD1 3.91Å; F1033-L1067 HydrophobicContact CE2-CD2 4.24Å; F1033-L1067 HydrophobicContact CZ-CD1 4.02Å; F1033-V1071 HydrophobicContact CD2-CG2 3.9Å; F1033-V1071 HydrophobicContact CE2-CG2 3.77Å; F1033-D1073 HydrophobicContact CD1-CB 4.17Å; F1033-D1073 HydrophobicContact CD2-CB 3.97Å; F1033-D1073 HydrophobicContact CE1-CB 4.02Å; F1033-D1073 HydrophobicContact CE2-CB 3.83Å; F1033-D1073 HydrophobicContact CG-CB 4.13Å; F1033-D1073 HydrophobicContact CZ-CB 3.84Å; F1033-I1075 HydrophobicContact CB-CD1 3.58Å; F1033-I1075 HydrophobicContact CB-CG1 4.04Å; F1033-Q1096 WeakPolarHBondContact O-CB 3.45Å
1034	A	94.7	Very high	88.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	158.1	176.6	0	0	0	0	0	112.3	W1019 L1067 Q1096	W1019-A1034 HydrophobicContact CB-CB 4.24Å; W1019-A1034 HydrophobicContact CE3-CB 4.48Å; W1019-A1034 PolarHBondContact N-O 3.39Å; A1034-L1067 HydrophobicContact CB-CD2 3.55Å; A1034-Q1096 WeakPolarHBondContact CA-O 3.41Å; A1034-Q1096 HydrophobicContact CB-CB 4.16Å
1035	D	95.7	Very high	89.4	Confident	9 Å²	9	44.9 Å²	44.9	5%	0.048	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	171.7	176.7	59.7	-13	0	0	0	112.2	V1017 H1018 G1093 A1094 Q1096 K1097 C1098	V1017-D1035 WeakPolarHBondContact O-CA 3.4Å; H1018-D1035 WeakPolarHBondContact ND1-CB 3.34Å; D1035-G1093 VanDerWaalsContact OD2-CA 3.23Å; D1035-G1093 WeakPolarHBondContact OD2-CA 3.43Å; D1035-A1094 HydrophobicContact CB-CB 4.27Å; D1035-A1094 VanDerWaalsContact CG-N 3.35Å; D1035-A1094 WeakPolarHBondContact OD1-CB 3.5Å; D1035-A1094 PolarHBondContact OD1-N 2.89Å; D1035-A1094 PolarHBondContact OD2-N 2.82Å; D1035-Q1096 PolarHBondContact N-O 2.81Å; D1035-K1097 CarbonylContact O-C 3.56Å; D1035-K1097 WeakPolarHBondContact O-CA 3.14Å; D1035-K1097 WeakPolarHBondContact OD1-CD 3.31Å; D1035-K1097 WeakPolarHBondContact OD1-CE 3.42Å; D1035-K1097 IonicContact OD1-NZ 2.88Å; D1035-K1097 PolarHBondContact OD1-NZ 2.88Å; D1035-K1097 IonicContact OD2-NZ 3.37Å; D1035-K1097 PolarHBondContact OD2-NZ 2.87Å; D1035-C1098 PolarHBondContact O-N 2.92Å; D1035-C1098 PolarHBondContact O-SG 2.84Å; D1035-C1098 VanDerWaalsContact O-SG 3.37Å
1036	D	95.7	Very high	90.7	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.053	19%	0.185	C	C	.	.			trans	-80.3	163.3	170.9	-168.6	3.6	0	0	0	110.7	S1016 V1017 N1038 R1040 L1065	S1016-D1036 VanDerWaalsContact OG-CB 3.31Å; S1016-D1036 WeakPolarHBondContact OG-CB 3.36Å; S1016-D1036 PolarHBondContact OG-OD2 2.98Å; V1017-D1036 PolarHBondContact O-N 2.98Å; D1036-N1038 PolarHBondContact OD1-N 2.8Å; D1036-R1040 IonicContact OD2-NE 3.07Å; D1036-R1040 PolarHBondContact OD2-NE 3.04Å; D1036-L1065 HydrophobicContact CB-CD1 4.2Å
1037	T	94.1	Very high	92.5	Very high	71 Å²	71	32.2 Å²	32.2	44%	0.436	17%	0.174	S	C	.	.	S	Bend	trans	-95.2	-17.5	177.1	50.2	0	0	0	0	113.6	K1097	T1037-K1097 HydrophobicContact CG2-CB 3.88Å; T1037-K1097 HydrophobicContact CG2-CD 3.85Å; T1037-K1097 HydrophobicContact CG2-CG 3.74Å
1038	N	94.1	Very high	93.9	Very high	50 Å²	50	29 Å²	29	27%	0.267	16%	0.157	S	C	.	.	S	Bend	trans	-110.6	142.2	-176.5	-62	-74	0	0	0	111	S1016 D1036 R1040 Y1177	S1016-N1038 VanDerWaalsContact CB-O 3.29Å; S1016-N1038 WeakPolarHBondContact CB-O 3.18Å; D1036-N1038 PolarHBondContact OD1-N 2.8Å; N1038-R1040 PolarHBondContact O-N 2.91Å; N1038-Y1177 HydrophobicContact CB-CE1 4.14Å
1039	P	95.5	Very high	94.5	Very high	59 Å²	59	29.9 Å²	29.9	38%	0.383	16%	0.157	S	C	.	.			trans	-67.9	133.6	169.4	29.5	-33.9	0	0	0	109.3	Q1014 Y1177	Q1014-P1039 CarbonylContact O-C 3.5Å; Q1014-P1039 WeakPolarHBondContact O-CA 3.32Å; P1039-Y1177 PolarHBondContact O-OH 2.83Å
1040	R	96.4	Very high	94.8	Very high	5 Å²	5	30.7 Å²	30.7	2%	0.019	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-139	127.5	177	-59.2	-172	-178.6	-71.6	-5.2	109.3	Q1014 S1016 D1036 N1038 I1042 T1063	Q1014-R1040 CarbonylContact C-O 3.48Å; Q1014-R1040 CarbonylContact O-C 3.59Å; Q1014-R1040 PolarHBondContact O-N 3.45Å; S1016-R1040 PolarHBondContact N-O 2.84Å; S1016-R1040 WeakPolarHBondContact OG-CD 3.31Å; D1036-R1040 IonicContact OD2-NE 3.07Å; D1036-R1040 PolarHBondContact OD2-NE 3.04Å; N1038-R1040 PolarHBondContact O-N 2.91Å; R1040-I1042 HydrophobicContact CB-CG1 3.99Å; R1040-I1042 PolarHBondContact O-N 3.12Å; R1040-T1063 PolarHBondContact NH1-OG1 3.37Å
1041	W	97.3	Very high	95	Very high	90 Å²	90	32 Å²	32	34%	0.341	18%	0.181	S	C	.	.			trans	-83.1	68.2	-179.5	-66.1	81	0	0	0	111.1	V1013 Q1014 D1057 K1058 F1059	V1013-W1041 HydrophobicContact CG2-CE3 4.49Å; V1013-W1041 WeakPolarHBondContact O-CA 3.27Å; Q1014-W1041 HydrophobicContact CB-CD2 4.42Å; Q1014-W1041 HydrophobicContact CB-CE3 4.25Å; Q1014-W1041 HydrophobicContact CB-CH2 4.2Å; Q1014-W1041 HydrophobicContact CB-CZ2 4.37Å; Q1014-W1041 HydrophobicContact CB-CZ3 4.13Å; Q1014-W1041 HydrophobicContact CG-CD2 4.37Å; Q1014-W1041 HydrophobicContact CG-CH2 3.97Å; Q1014-W1041 HydrophobicContact CG-CZ2 3.74Å; Q1014-W1041 HydrophobicContact CG-CZ3 4.38Å; W1041-D1057 CarbonylContact O-C 3.56Å; W1041-D1057 WeakPolarHBondContact O-CA 3.38Å; W1041-D1057 WeakPolarHBondContact O-CB 3.34Å; W1041-K1058 HydrophobicContact CB-CB 4.04Å; W1041-K1058 HydrophobicContact CB-CD 4.22Å; W1041-K1058 HydrophobicContact CB-CG 4.19Å; W1041-K1058 PolarHBondContact O-N 3.03Å; W1041-F1059 HydrophobicContact CB-CD2 4.35Å; W1041-F1059 HydrophobicContact CB-CE2 4.21Å; W1041-F1059 AromaticContact CD1-CE2 3.42Å; W1041-F1059 VanDerWaalsContact CD1-CE2 3.42Å; W1041-F1059 HydrophobicContact CG-CD2 4.35Å; W1041-F1059 AromaticContact CG-CE2 3.8Å; W1041-F1059 HydrophobicContact CG-CE2 3.8Å; W1041-F1059 AromaticContact NE1-CE2 3.88Å
1042	I	97	Very high	95.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	141	-165.6	-63.8	-178.3	0	0	0	111.2	N999 T1011 S1016 V1017 R1040 V1055 S1056	N999-I1042 PolarHBondContact ND2-O 3.05Å; T1011-I1042 HydrophobicContact CG2-CD1 4.11Å; T1011-I1042 HydrophobicContact CG2-CG2 3.9Å; S1016-I1042 WeakPolarHBondContact O-CD1 3.25Å; V1017-I1042 HydrophobicContact CG2-CD1 3.46Å; V1017-I1042 VanDerWaalsContact CG2-CD1 3.46Å; R1040-I1042 HydrophobicContact CB-CG1 3.99Å; R1040-I1042 PolarHBondContact O-N 3.12Å; I1042-V1055 HydrophobicContact CD1-CB 4.16Å; I1042-V1055 HydrophobicContact CD1-CG1 3.97Å; I1042-V1055 HydrophobicContact CG1-CB 4.39Å; I1042-S1056 CarbonylContact C-O 3.56Å; I1042-S1056 VanDerWaalsContact CA-O 3.25Å; I1042-S1056 WeakPolarHBondContact CA-O 3.23Å
1043	I	96	Very high	95.5	Very high	55 Å²	55	30.2 Å²	30.2	28%	0.282	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-51	168.3	-67.7	175.4	0	0	0	110.5	S1056 K1058 V1109	I1043-S1056 PolarHBondContact N-O 3.19Å; I1043-K1058 HydrophobicContact CD1-CB 4.31Å; I1043-K1058 HydrophobicContact CD1-CG 3.82Å; I1043-K1058 HydrophobicContact CG1-CG 3.71Å; I1043-V1109 HydrophobicContact CD1-CG1 3.11Å
1044	H	95.8	Very high	95.8	Very high	46 Å²	46	30.2 Å²	30.2	21%	0.213	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.2	-175.5	-161.1	-88.6	0	0	0	111.1	V1055 S1056 L1113	H1044-V1055 WeakPolarHBondContact O-CA 3.46Å; H1044-S1056 PolarHBondContact N-OG 3.03Å; H1044-S1056 PolarHBondContact O-N 2.8Å; H1044-S1056 PolarHBondContact O-OG 3.01Å; H1044-L1113 PolarHBondContact CE1-O 2.88Å; H1044-L1113 VanDerWaalsContact CE1-O 3.23Å; H1044-L1113 PolarHBondContact ND1-N 3.43Å; H1044-L1113 PolarHBondContact ND1-O 3.36Å
1045	L	96.6	Very high	95.9	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.7	173.2	178.7	155.2	0	0	0	110.2	Y1002 I1009 T1011 V1017 V1047 V1053 A1054 V1055	Y1002-L1045 HydrophobicContact CD1-CD2 4.09Å; Y1002-L1045 HydrophobicContact CD2-CB 4.13Å; Y1002-L1045 HydrophobicContact CD2-CD2 3.7Å; Y1002-L1045 HydrophobicContact CD2-CG 4.33Å; Y1002-L1045 HydrophobicContact CE1-CD2 4.33Å; Y1002-L1045 WeakPolarHBondContact CE1-O 3.5Å; Y1002-L1045 HydrophobicContact CE2-CB 3.58Å; Y1002-L1045 HydrophobicContact CE2-CD2 4Å; Y1002-L1045 HydrophobicContact CE2-CG 4.27Å; Y1002-L1045 HydrophobicContact CG-CD2 3.76Å; Y1002-L1045 PolarHBondContact OH-N 3.06Å; Y1002-L1045 PolarHBondContact OH-O 3.44Å; Y1002-L1045 VanDerWaalsContact OH-O 3.12Å; I1009-L1045 HydrophobicContact CG2-CD1 3.63Å; I1009-L1045 HydrophobicContact CG2-CD2 4.49Å; T1011-L1045 HydrophobicContact CG2-CB 3.78Å; T1011-L1045 HydrophobicContact CG2-CD1 3.56Å; T1011-L1045 HydrophobicContact CG2-CG 4.32Å; V1017-L1045 HydrophobicContact CG1-CD1 4.2Å; V1017-L1045 HydrophobicContact CG2-CD1 3.91Å; L1045-V1047 HydrophobicContact CD2-CG2 3.9Å; L1045-V1053 HydrophobicContact CD1-CB 3.96Å; L1045-V1053 HydrophobicContact CD1-CG1 4.21Å; L1045-V1053 HydrophobicContact CD1-CG2 4.1Å; L1045-V1053 HydrophobicContact CD2-CB 4.16Å; L1045-V1053 HydrophobicContact CD2-CG1 4.08Å; L1045-V1053 HydrophobicContact CG-CB 4.04Å; L1045-V1053 HydrophobicContact CG-CG1 4.43Å; L1045-A1054 CarbonylContact C-O 3.57Å; L1045-A1054 VanDerWaalsContact CA-O 3.3Å; L1045-A1054 WeakPolarHBondContact CA-O 3.29Å; L1045-V1055 HydrophobicContact CB-CG1 4.22Å; L1045-V1055 HydrophobicContact CD1-CG1 3.77Å; L1045-V1055 HydrophobicContact CG-CG1 4Å
1046	A	96.6	Very high	96	Very high	8 Å²	8	29.9 Å²	29.9	7%	0.066	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.5	168.4	0	0	0	0	0	109.8	L1048 V1053 A1054 L1113	A1046-L1048 PolarHBondContact O-N 2.78Å; A1046-V1053 WeakPolarHBondContact O-CA 3.35Å; A1046-A1054 HydrophobicContact CB-CB 4.44Å; A1046-A1054 PolarHBondContact N-O 3.32Å; A1046-A1054 PolarHBondContact O-N 3.12Å; A1046-L1113 HydrophobicContact CB-CB 3.7Å; A1046-L1113 WeakPolarHBondContact CB-O 3.4Å
1047	V	96.4	Very high	96.1	Very high	45 Å²	45	29.7 Å²	29.7	27%	0.273	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	122	171.7	177	0	0	0	0	108.4	V1004 I1009 L1045 D1049	V1004-V1047 HydrophobicContact CG2-CB 4.34Å; V1004-V1047 HydrophobicContact CG2-CG1 3.45Å; V1004-V1047 VanDerWaalsContact CG2-CG1 3.45Å; V1004-V1047 HydrophobicContact CG2-CG2 4Å; I1009-V1047 HydrophobicContact CD1-CG2 4.01Å; L1045-V1047 HydrophobicContact CD2-CG2 3.9Å; V1047-D1049 WeakPolarHBondContact CG1-O 3.38Å
1048	L	95.6	Very high	96.2	Very high	26 Å²	26	31.2 Å²	31.2	14%	0.136	17%	0.169	C	C	.	.			trans	-94.3	-44.4	177.6	-56	-175.5	0	0	0	111.5	M1 A1046 T1052 A1054 I1064 K1115 I1126	M1-L1048 HydrophobicContact CE-CD1 4.13Å; A1046-L1048 PolarHBondContact O-N 2.78Å; L1048-T1052 HydrophobicContact CB-CG2 4.46Å; L1048-T1052 HydrophobicContact CD1-CG2 4.07Å; L1048-T1052 PolarHBondContact N-O 3.29Å; L1048-A1054 HydrophobicContact CD1-CB 4.23Å; L1048-A1054 HydrophobicContact CD2-CB 4.3Å; L1048-A1054 HydrophobicContact CG-CB 4.32Å; L1048-I1064 HydrophobicContact CD1-CD1 4.09Å; L1048-I1064 HydrophobicContact CD1-CG2 4.09Å; L1048-K1115 HydrophobicContact CD2-CB 4.4Å; L1048-I1126 HydrophobicContact CD1-CD1 3.69Å; L1048-I1126 HydrophobicContact CD2-CD1 3.72Å; L1048-I1126 HydrophobicContact CD2-CG1 3.77Å; L1048-I1126 HydrophobicContact CG-CD1 4.38Å
1049	D	94	Very high	96.3	Very high	65 Å²	65	33.7 Å²	33.7	35%	0.348	18%	0.178	S	C	.	.	S	Bend	trans	-151.6	-174.8	174.5	65	44.5	0	0	0	110.1	V1047 S1051 T1052 R1066	V1047-D1049 WeakPolarHBondContact CG1-O 3.38Å; D1049-S1051 PolarHBondContact O-N 2.92Å; D1049-S1051 VanDerWaalsContact O-N 3.12Å; D1049-S1051 WeakPolarHBondContact OD1-CA 3.33Å; D1049-S1051 PolarHBondContact OD1-N 2.71Å; D1049-T1052 VanDerWaalsContact CG-CB 3.5Å; D1049-T1052 PolarHBondContact N-O 2.68Å; D1049-T1052 PolarHBondContact O-N 3Å; D1049-T1052 WeakPolarHBondContact OD1-CA 3.29Å; D1049-T1052 WeakPolarHBondContact OD1-CB 3.47Å; D1049-T1052 PolarHBondContact OD1-N 3.09Å; D1049-T1052 PolarHBondContact OD1-OG1 2.73Å; D1049-T1052 WeakPolarHBondContact OD2-CB 3.33Å; D1049-T1052 PolarHBondContact OD2-OG1 3.23Å; D1049-R1066 IonicContact OD2-NH2 3.22Å; D1049-R1066 PolarHBondContact OD2-NH2 3.04Å; D1049-R1066 VanDerWaalsContact OD2-NH2 3.07Å
1050	A	92.5	Very high	96.4	Very high	56 Å²	56	30.9 Å²	30.9	46%	0.463	16%	0.16	S	C	.	.	S	Bend	trans	-65.9	-11.7	-176.7	0	0	0	0	0	115.6	V1004 R1007	V1004-A1050 HydrophobicContact CG1-CB 4.19Å; R1007-A1050 PolarHBondContact NH1-O 2.67Å
1051	S	94.8	Very high	96.4	Very high	36 Å²	36	30.7 Å²	30.7	25%	0.252	16%	0.159	S	C	.	.	S	Bend	trans	-129.4	-3.2	-177.7	-65.6	0	0	0	0	113.2	R1007 D1049 R1066 L1067	R1007-S1051 PolarHBondContact NH1-OG 3.23Å; D1049-S1051 PolarHBondContact O-N 2.92Å; D1049-S1051 VanDerWaalsContact O-N 3.12Å; D1049-S1051 WeakPolarHBondContact OD1-CA 3.33Å; D1049-S1051 PolarHBondContact OD1-N 2.71Å; S1051-R1066 CarbonylContact O-C 3.58Å; S1051-R1066 VanDerWaalsContact O-CA 3.31Å; S1051-R1066 WeakPolarHBondContact O-CA 3.37Å; S1051-L1067 PolarHBondContact O-N 3.08Å
1052	T	96.7	Very high	96.4	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.8	-170.3	-42.9	0	0	0	0	111.2	L1048 D1049 I1064 L1065 R1066 L1101	L1048-T1052 HydrophobicContact CB-CG2 4.46Å; L1048-T1052 HydrophobicContact CD1-CG2 4.07Å; L1048-T1052 PolarHBondContact N-O 3.29Å; D1049-T1052 VanDerWaalsContact CG-CB 3.5Å; D1049-T1052 PolarHBondContact N-O 2.68Å; D1049-T1052 PolarHBondContact O-N 3Å; D1049-T1052 WeakPolarHBondContact OD1-CA 3.29Å; D1049-T1052 WeakPolarHBondContact OD1-CB 3.47Å; D1049-T1052 PolarHBondContact OD1-N 3.09Å; D1049-T1052 PolarHBondContact OD1-OG1 2.73Å; D1049-T1052 WeakPolarHBondContact OD2-CB 3.33Å; D1049-T1052 PolarHBondContact OD2-OG1 3.23Å; T1052-I1064 HydrophobicContact CG2-CG2 3.51Å; T1052-L1065 WeakPolarHBondContact CA-O 3.33Å; T1052-L1065 WeakPolarHBondContact CG2-O 3.24Å; T1052-R1066 HydrophobicContact CG2-CB 4.21Å; T1052-R1066 PolarHBondContact OG1-NE 3.42Å; T1052-R1066 PolarHBondContact OG1-NH2 3.49Å; T1052-L1101 HydrophobicContact CG2-CD1 4.3Å
1053	V	97.6	Very high	96.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.8	-180	-59.5	0	0	0	0	110.4	I1009 W1019 L1045 A1046 V1055 I1064 L1065	I1009-V1053 HydrophobicContact CD1-CG1 3.76Å; I1009-V1053 HydrophobicContact CG2-CG1 4.35Å; W1019-V1053 HydrophobicContact CH2-CG2 4.36Å; W1019-V1053 HydrophobicContact CZ2-CG2 3.8Å; L1045-V1053 HydrophobicContact CD1-CB 3.96Å; L1045-V1053 HydrophobicContact CD1-CG1 4.21Å; L1045-V1053 HydrophobicContact CD1-CG2 4.1Å; L1045-V1053 HydrophobicContact CD2-CB 4.16Å; L1045-V1053 HydrophobicContact CD2-CG1 4.08Å; L1045-V1053 HydrophobicContact CG-CB 4.04Å; L1045-V1053 HydrophobicContact CG-CG1 4.43Å; A1046-V1053 WeakPolarHBondContact O-CA 3.35Å; V1053-V1055 HydrophobicContact CG2-CG1 4.34Å; V1053-I1064 CarbonylContact O-C 3.54Å; V1053-I1064 WeakPolarHBondContact O-CA 3.4Å; V1053-L1065 HydrophobicContact CG2-CB 3.9Å; V1053-L1065 PolarHBondContact N-O 2.92Å; V1053-L1065 PolarHBondContact O-N 3.34Å
1054	A	97.9	Very high	96.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.1	166.2	0	0	0	0	0	108.9	L1045 A1046 L1048 T1063 I1064 L1113 I1126	L1045-A1054 CarbonylContact C-O 3.57Å; L1045-A1054 VanDerWaalsContact CA-O 3.3Å; L1045-A1054 WeakPolarHBondContact CA-O 3.29Å; A1046-A1054 HydrophobicContact CB-CB 4.44Å; A1046-A1054 PolarHBondContact N-O 3.32Å; A1046-A1054 PolarHBondContact O-N 3.12Å; L1048-A1054 HydrophobicContact CD1-CB 4.23Å; L1048-A1054 HydrophobicContact CD2-CB 4.3Å; L1048-A1054 HydrophobicContact CG-CB 4.32Å; A1054-T1063 CarbonylContact C-O 3.54Å; A1054-T1063 WeakPolarHBondContact CA-O 3.39Å; A1054-I1064 HydrophobicContact CB-CG1 4.22Å; A1054-L1113 HydrophobicContact CB-CD1 4.21Å; A1054-I1126 HydrophobicContact CB-CD1 4.41Å
1055	V	97.8	Very high	96.7	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.6	179.7	-62	0	0	0	0	110.5	V1017 I1042 H1044 L1045 V1053 V1062 T1063 L1065	V1017-V1055 HydrophobicContact CG2-CG1 3.62Å; I1042-V1055 HydrophobicContact CD1-CB 4.16Å; I1042-V1055 HydrophobicContact CD1-CG1 3.97Å; I1042-V1055 HydrophobicContact CG1-CB 4.39Å; H1044-V1055 WeakPolarHBondContact O-CA 3.46Å; L1045-V1055 HydrophobicContact CB-CG1 4.22Å; L1045-V1055 HydrophobicContact CD1-CG1 3.77Å; L1045-V1055 HydrophobicContact CG-CG1 4Å; V1053-V1055 HydrophobicContact CG2-CG1 4.34Å; V1055-V1062 WeakPolarHBondContact O-CA 3.24Å; V1055-T1063 WeakPolarHBondContact CG2-O 3.47Å; V1055-T1063 PolarHBondContact N-O 2.8Å; V1055-T1063 PolarHBondContact O-N 3.39Å; V1055-L1065 HydrophobicContact CG2-CD1 4.24Å
1056	S	97.5	Very high	96.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	151.5	167.4	63.1	0	0	0	0	110.9	I1042 I1043 H1044 N1061 V1110	I1042-S1056 CarbonylContact C-O 3.56Å; I1042-S1056 VanDerWaalsContact CA-O 3.25Å; I1042-S1056 WeakPolarHBondContact CA-O 3.23Å; I1043-S1056 PolarHBondContact N-O 3.19Å; H1044-S1056 PolarHBondContact N-OG 3.03Å; H1044-S1056 PolarHBondContact O-N 2.8Å; H1044-S1056 PolarHBondContact O-OG 3.01Å; S1056-N1061 WeakPolarHBondContact CA-O 3.46Å; S1056-V1110 VanDerWaalsContact CB-O 3.32Å; S1056-V1110 WeakPolarHBondContact CB-O 3.32Å; S1056-V1110 PolarHBondContact OG-O 3.47Å
1057	D	96.8	Very high	96.7	Very high	5 Å²	5	26 Å²	26	3%	0.027	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	166.9	176.2	69.6	27.1	0	0	0	114.2	W1041 F1059 G1060 N1061	W1041-D1057 CarbonylContact O-C 3.56Å; W1041-D1057 WeakPolarHBondContact O-CA 3.38Å; W1041-D1057 WeakPolarHBondContact O-CB 3.34Å; D1057-F1059 PolarHBondContact O-N 2.83Å; D1057-F1059 VanDerWaalsContact O-N 3.14Å; D1057-F1059 WeakPolarHBondContact OD1-CA 3.38Å; D1057-F1059 PolarHBondContact OD1-N 2.8Å; D1057-G1060 PolarHBondContact O-N 2.83Å; D1057-G1060 VanDerWaalsContact O-N 3.12Å; D1057-G1060 PolarHBondContact OD1-N 3.48Å; D1057-N1061 VanDerWaalsContact CG-ND2 3.34Å; D1057-N1061 PolarHBondContact N-O 3.38Å; D1057-N1061 VanDerWaalsContact N-O 3.12Å; D1057-N1061 PolarHBondContact OD1-N 3.34Å; D1057-N1061 PolarHBondContact OD1-ND2 3.43Å; D1057-N1061 VanDerWaalsContact OD1-ND2 3.14Å; D1057-N1061 WeakPolarHBondContact OD2-CB 3.47Å; D1057-N1061 PolarHBondContact OD2-ND2 2.68Å
1058	K	97.4	Very high	96.6	Very high	104 Å²	104	24.9 Å²	24.9	45%	0.452	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-14.9	176.5	-70.5	-177.1	-178	178.9	0	114.6	W1041 I1043 V1109	W1041-K1058 HydrophobicContact CB-CB 4.04Å; W1041-K1058 HydrophobicContact CB-CD 4.22Å; W1041-K1058 HydrophobicContact CB-CG 4.19Å; W1041-K1058 PolarHBondContact O-N 3.03Å; I1043-K1058 HydrophobicContact CD1-CB 4.31Å; I1043-K1058 HydrophobicContact CD1-CG 3.82Å; I1043-K1058 HydrophobicContact CG1-CG 3.71Å; K1058-V1109 VanDerWaalsContact O-CG2 3.32Å; K1058-V1109 WeakPolarHBondContact O-CG2 3.36Å
1059	F	96.8	Very high	96.4	Very high	101 Å²	101	30 Å²	30	44%	0.443	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	0.7	-179.9	-67.4	-78.7	0	0	0	112	W1041 D1057 Y1105 H1176	W1041-F1059 HydrophobicContact CB-CD2 4.35Å; W1041-F1059 HydrophobicContact CB-CE2 4.21Å; W1041-F1059 AromaticContact CD1-CE2 3.42Å; W1041-F1059 VanDerWaalsContact CD1-CE2 3.42Å; W1041-F1059 HydrophobicContact CG-CD2 4.35Å; W1041-F1059 AromaticContact CG-CE2 3.8Å; W1041-F1059 HydrophobicContact CG-CE2 3.8Å; W1041-F1059 AromaticContact NE1-CE2 3.88Å; D1057-F1059 PolarHBondContact O-N 2.83Å; D1057-F1059 VanDerWaalsContact O-N 3.14Å; D1057-F1059 WeakPolarHBondContact OD1-CA 3.38Å; D1057-F1059 PolarHBondContact OD1-N 2.8Å; F1059-Y1105 WeakPolarHBondContact O-CE2 3.47Å; F1059-H1176 AromaticContact CD1-CE1 3.9Å
1060	G	96	Very high	96.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	86.8	21.5	176	0	0	0	0	0	115	D1057 V1106 E1108	D1057-G1060 PolarHBondContact O-N 2.83Å; D1057-G1060 VanDerWaalsContact O-N 3.12Å; D1057-G1060 PolarHBondContact OD1-N 3.48Å; G1060-V1106 PolarHBondContact O-N 3.09Å; G1060-E1108 WeakPolarHBondContact CA-O 3.44Å
1061	N	97.4	Very high	96.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	148.7	171.5	-47.8	-74.9	0	0	0	111.8	S1056 D1057 F1104 Y1105 H1176	S1056-N1061 WeakPolarHBondContact CA-O 3.46Å; D1057-N1061 VanDerWaalsContact CG-ND2 3.34Å; D1057-N1061 PolarHBondContact N-O 3.38Å; D1057-N1061 VanDerWaalsContact N-O 3.12Å; D1057-N1061 PolarHBondContact OD1-N 3.34Å; D1057-N1061 PolarHBondContact OD1-ND2 3.43Å; D1057-N1061 VanDerWaalsContact OD1-ND2 3.14Å; D1057-N1061 WeakPolarHBondContact OD2-CB 3.47Å; D1057-N1061 PolarHBondContact OD2-ND2 2.68Å; N1061-F1104 WeakPolarHBondContact CA-O 3.41Å; N1061-Y1105 WeakPolarHBondContact OD1-CD2 3.32Å; N1061-H1176 PolarHBondContact ND2-CD2 2.96Å
1062	V	97.9	Very high	96	Very high	3 Å²	3	35 Å²	35	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.5	164.5	-178.8	0	0	0	0	108.6	V1055 F1104 V1106 V1110 L1113 L1138	V1055-V1062 WeakPolarHBondContact O-CA 3.24Å; V1062-F1104 PolarHBondContact N-O 3.04Å; V1062-F1104 PolarHBondContact O-N 3.25Å; V1062-V1106 HydrophobicContact CG2-CG2 3.83Å; V1062-V1110 HydrophobicContact CG2-CB 4.36Å; V1062-V1110 HydrophobicContact CG2-CG1 4.38Å; V1062-V1110 HydrophobicContact CG2-CG2 3.86Å; V1062-L1113 HydrophobicContact CG1-CD1 4.48Å; V1062-L1113 HydrophobicContact CG1-CD2 4.22Å; V1062-L1113 HydrophobicContact CG2-CD2 4.4Å; V1062-L1138 HydrophobicContact CB-CD1 4.42Å; V1062-L1138 HydrophobicContact CG1-CD1 3.76Å
1063	T	98	Very high	95.5	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140.4	-179.1	-56	0	0	0	0	110.4	R1040 A1054 V1055 L1065 V1100 C1102 H1103	R1040-T1063 PolarHBondContact NH1-OG1 3.37Å; A1054-T1063 CarbonylContact C-O 3.54Å; A1054-T1063 WeakPolarHBondContact CA-O 3.39Å; V1055-T1063 WeakPolarHBondContact CG2-O 3.47Å; V1055-T1063 PolarHBondContact N-O 2.8Å; V1055-T1063 PolarHBondContact O-N 3.39Å; T1063-L1065 HydrophobicContact CG2-CD2 3.81Å; T1063-L1065 HydrophobicContact CG2-CG 4.32Å; T1063-V1100 HydrophobicContact CG2-CG1 3.74Å; T1063-C1102 WeakPolarHBondContact CA-O 3.42Å; T1063-C1102 WeakPolarHBondContact CG2-O 3.45Å; T1063-H1103 PolarHBondContact OG1-ND1 3.37Å
1064	I	98	Very high	94.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.7	173.3	-58.8	-173.4	0	0	0	109.2	M1 L3 L1048 T1052 V1053 A1054 L1101 C1102 I1126	M1-I1064 HydrophobicContact CE-CD1 3.57Å; M1-I1064 HydrophobicContact SD-CD1 3.92Å; M1-I1064 HydrophobicContact SD-CG2 4.21Å; L3-I1064 HydrophobicContact CD1-CD1 3.39Å; L1048-I1064 HydrophobicContact CD1-CD1 4.09Å; L1048-I1064 HydrophobicContact CD1-CG2 4.09Å; T1052-I1064 HydrophobicContact CG2-CG2 3.51Å; V1053-I1064 CarbonylContact O-C 3.54Å; V1053-I1064 WeakPolarHBondContact O-CA 3.4Å; A1054-I1064 HydrophobicContact CB-CG1 4.22Å; I1064-L1101 HydrophobicContact CB-CB 4.39Å; I1064-L1101 HydrophobicContact CG2-CB 4.22Å; I1064-L1101 HydrophobicContact CG2-CD1 4.25Å; I1064-L1101 PolarHBondContact O-N 3.39Å; I1064-C1102 HydrophobicContact CB-CB 4.01Å; I1064-C1102 HydrophobicContact CD1-CB 4.15Å; I1064-C1102 HydrophobicContact CG1-CB 4.06Å; I1064-C1102 PolarHBondContact N-O 3.38Å; I1064-I1126 HydrophobicContact CD1-CD1 3.78Å
1065	L	97.6	Very high	93.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.9	179.2	-55.7	175.1	0	0	0	109.2	V1017 W1019 D1036 T1052 V1053 V1055 T1063 D1099 V1100	V1017-L1065 HydrophobicContact CB-CD1 4.32Å; V1017-L1065 HydrophobicContact CG2-CD1 3.9Å; W1019-L1065 HydrophobicContact CH2-CB 4.11Å; W1019-L1065 HydrophobicContact CH2-CD1 4.1Å; W1019-L1065 HydrophobicContact CZ2-CB 4.41Å; D1036-L1065 HydrophobicContact CB-CD1 4.2Å; T1052-L1065 WeakPolarHBondContact CA-O 3.33Å; T1052-L1065 WeakPolarHBondContact CG2-O 3.24Å; V1053-L1065 HydrophobicContact CG2-CB 3.9Å; V1053-L1065 PolarHBondContact N-O 2.92Å; V1053-L1065 PolarHBondContact O-N 3.34Å; V1055-L1065 HydrophobicContact CG2-CD1 4.24Å; T1063-L1065 HydrophobicContact CG2-CD2 3.81Å; T1063-L1065 HydrophobicContact CG2-CG 4.32Å; L1065-D1099 WeakPolarHBondContact CA-O 3.44Å; L1065-V1100 HydrophobicContact CD2-CB 4.44Å; L1065-V1100 HydrophobicContact CD2-CG2 3.78Å
1066	R	97.2	Very high	92.3	Very high	92 Å²	92	48.7 Å²	48.7	35%	0.347	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137	176.3	174.1	168.6	-74.1	-172.3	-7.9	110.6	D1049 S1051 T1052 D1099 L1101	D1049-R1066 IonicContact OD2-NH2 3.22Å; D1049-R1066 PolarHBondContact OD2-NH2 3.04Å; D1049-R1066 VanDerWaalsContact OD2-NH2 3.07Å; S1051-R1066 CarbonylContact O-C 3.58Å; S1051-R1066 VanDerWaalsContact O-CA 3.31Å; S1051-R1066 WeakPolarHBondContact O-CA 3.37Å; T1052-R1066 HydrophobicContact CG2-CB 4.21Å; T1052-R1066 PolarHBondContact OG1-NE 3.42Å; T1052-R1066 PolarHBondContact OG1-NH2 3.49Å; R1066-D1099 PolarHBondContact N-O 2.86Å; R1066-D1099 PolarHBondContact O-N 3.2Å; R1066-L1101 HydrophobicContact CB-CD1 3.6Å; R1066-L1101 HydrophobicContact CB-CD2 4.24Å; R1066-L1101 HydrophobicContact CB-CG 3.76Å; R1066-L1101 HydrophobicContact CG-CD1 4.31Å
1067	L	96.3	Very high	90.9	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.016	26%	0.264	C	S	.	.			trans	-67.6	133.2	166.5	-67.3	173.7	0	0	0	109.9	W1019 F1033 A1034 S1051 V1071 C1098	W1019-L1067 HydrophobicContact CD2-CD2 3.84Å; W1019-L1067 HydrophobicContact CD2-CG 4.42Å; W1019-L1067 HydrophobicContact CE3-CD2 4.41Å; W1019-L1067 HydrophobicContact CG-CD1 4.21Å; W1019-L1067 HydrophobicContact CG-CD2 3.91Å; W1019-L1067 HydrophobicContact CG-CG 4.37Å; F1033-L1067 HydrophobicContact CE2-CD1 3.91Å; F1033-L1067 HydrophobicContact CE2-CD2 4.24Å; F1033-L1067 HydrophobicContact CZ-CD1 4.02Å; A1034-L1067 HydrophobicContact CB-CD2 3.55Å; S1051-L1067 PolarHBondContact O-N 3.08Å; L1067-V1071 HydrophobicContact CB-CB 4.4Å; L1067-V1071 HydrophobicContact CB-CG1 4.09Å; L1067-V1071 HydrophobicContact CD1-CG1 4.32Å; L1067-V1071 HydrophobicContact CD2-CG2 4.23Å; L1067-C1098 VanDerWaalsContact CD2-SG 3.53Å
1068	P	95	Very high	89.3	Confident	22 Å²	22	53.1 Å²	53.1	14%	0.143	27%	0.271	C	S	.	.			trans	-54.3	149	173.6	-27.5	35.6	0	0	0	112.1	N1070 V1071 K1097	P1068-N1070 VanDerWaalsContact CB-OD1 3.22Å; P1068-N1070 WeakPolarHBondContact CB-OD1 3.42Å; P1068-N1070 PolarHBondContact O-N 3.22Å; P1068-N1070 VanDerWaalsContact O-N 3.16Å; P1068-V1071 VanDerWaalsContact O-CB 3.31Å; P1068-V1071 WeakPolarHBondContact O-CB 3.38Å; P1068-V1071 WeakPolarHBondContact O-CG1 3.24Å; P1068-V1071 PolarHBondContact O-N 3.22Å; P1068-V1071 VanDerWaalsContact O-N 3.1Å; P1068-K1097 WeakPolarHBondContact CD-O 3.46Å; P1068-K1097 VanDerWaalsContact CG-O 3.22Å; P1068-K1097 WeakPolarHBondContact CG-O 3.36Å
1069	P	91.8	Very high	87.6	Confident	135 Å²	135	53.3 Å²	53.3	88%	0.877	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.8	-177.1	25.3	-34.4	0	0	0	113.8	V1071	P1069-V1071 VanDerWaalsContact C-N 3.34Å
1070	N	91.4	Very high	86	Confident	129 Å²	129	52 Å²	52	69%	0.69	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	14.7	178	63.2	-30.9	0	0	0	113.5	P1068 I1072	P1068-N1070 VanDerWaalsContact CB-OD1 3.22Å; P1068-N1070 WeakPolarHBondContact CB-OD1 3.42Å; P1068-N1070 PolarHBondContact O-N 3.22Å; P1068-N1070 VanDerWaalsContact O-N 3.16Å; N1070-I1072 PolarHBondContact O-N 2.99Å
1071	V	90.7	Very high	84.5	Confident	22 Å²	22	53.5 Å²	53.5	13%	0.133	30%	0.302	C	S	.	.			trans	-63.7	131.2	-179.1	74.4	0	0	0	0	111.5	F1033 L1067 P1068 P1069	F1033-V1071 HydrophobicContact CD2-CG2 3.9Å; F1033-V1071 HydrophobicContact CE2-CG2 3.77Å; L1067-V1071 HydrophobicContact CB-CB 4.4Å; L1067-V1071 HydrophobicContact CB-CG1 4.09Å; L1067-V1071 HydrophobicContact CD1-CG1 4.32Å; L1067-V1071 HydrophobicContact CD2-CG2 4.23Å; P1068-V1071 VanDerWaalsContact O-CB 3.31Å; P1068-V1071 WeakPolarHBondContact O-CB 3.38Å; P1068-V1071 WeakPolarHBondContact O-CG1 3.24Å; P1068-V1071 PolarHBondContact O-N 3.22Å; P1068-V1071 VanDerWaalsContact O-N 3.1Å; P1069-V1071 VanDerWaalsContact C-N 3.34Å
1072	I	90	Very high	82.6	Confident	109 Å²	109	57.7 Å²	57.7	56%	0.559	33%	0.325	S	S	*	.			trans	-102.4	107.2	174.8	-57.9	173.3	0	0	0	107.5	N1070 I1075 Q1096	N1070-I1072 PolarHBondContact O-N 2.99Å; I1072-I1075 WeakPolarHBondContact O-CG1 3.39Å; I1072-Q1096 PolarHBondContact O-NE2 3.25Å
1073	D	86.2	Confident	80.6	Confident	32 Å²	32	63.5 Å²	63.5	17%	0.171	35%	0.346	C	S	.	.			trans	-87.4	-10.4	178.7	68.2	22.6	0	0	0	113.8	R1007 R1021 F1033 I1075	R1007-D1073 IonicContact CZ-OD2 2.63Å; R1007-D1073 VanDerWaalsContact CZ-OD2 3.28Å; R1007-D1073 IonicContact NE-OD2 3.28Å; R1007-D1073 PolarHBondContact NE-OD2 3.28Å; R1007-D1073 IonicContact NH2-OD2 2.74Å; R1007-D1073 PolarHBondContact NH2-OD2 3.22Å; R1021-D1073 WeakPolarHBondContact CB-O 3.05Å; R1021-D1073 WeakPolarHBondContact CG-O 3.44Å; R1021-D1073 IonicContact NE-OD1 3.93Å; F1033-D1073 HydrophobicContact CD1-CB 4.17Å; F1033-D1073 HydrophobicContact CD2-CB 3.97Å; F1033-D1073 HydrophobicContact CE1-CB 4.02Å; F1033-D1073 HydrophobicContact CE2-CB 3.83Å; F1033-D1073 HydrophobicContact CG-CB 4.13Å; F1033-D1073 HydrophobicContact CZ-CB 3.84Å; D1073-I1075 VanDerWaalsContact C-N 3.33Å; D1073-I1075 PolarHBondContact O-N 3.07Å
1074	D	80.8	Confident	78.8	Confident	101 Å²	101	66.5 Å²	66.5	54%	0.54	37%	0.371	S	S	.	.			trans	-94.8	57.7	-179.8	-150.1	25.5	0	0	0	111.1	R1023	R1023-D1074 IonicContact CZ-OD1 3.49Å; R1023-D1074 IonicContact NE-OD1 3.61Å; R1023-D1074 PolarHBondContact NE-OD1 3.4Å; R1023-D1074 PolarHBondContact NH2-O 3.13Å; R1023-D1074 IonicContact NH2-OD1 2.79Å; R1023-D1074 PolarHBondContact NH2-OD1 2.85Å; R1023-D1074 IonicContact NH2-OD2 3.31Å
1075	I	78.3	Confident	77.3	Confident	36 Å²	36	72.1 Å²	72.1	19%	0.185	40%	0.401	C	S	.	.			trans	-81.2	127.8	174.7	-53.4	-176	0	0	0	110.2	R1023 V1031 F1033 I1072 D1073	R1023-I1075 PolarHBondContact NH1-O 3.31Å; R1023-I1075 PolarHBondContact NH2-O 3.4Å; R1023-I1075 VanDerWaalsContact NH2-O 3.14Å; V1031-I1075 HydrophobicContact CG1-CB 4.3Å; F1033-I1075 HydrophobicContact CB-CD1 3.58Å; F1033-I1075 HydrophobicContact CB-CG1 4.04Å; I1072-I1075 WeakPolarHBondContact O-CG1 3.39Å; D1073-I1075 VanDerWaalsContact C-N 3.33Å; D1073-I1075 PolarHBondContact O-N 3.07Å
1076	E	68.2	Low	75.9	Confident	123 Å²	123	82.5 Å²	82.5	58%	0.575	44%	0.44	S	S	*	.			trans	-81.1	113.9	171.1	-73.8	179.3	173.8	0	0	111.8	R1023 R1083	R1023-E1076 VanDerWaalsContact NH1-CA 3.3Å; E1076-R1083 IonicContact OE2-NH1 3.81Å
1077	D	66.4	Low	74.4	Confident	63 Å²	63	82.7 Å²	82.7	34%	0.337	45%	0.448	S	S	.	.			trans	-78.6	128.5	163.8	-156	-0.8	0	0	0	108.7	V1031 P1079	V1031-D1077 HydrophobicContact CG1-CB 4.49Å; V1031-D1077 HydrophobicContact CG2-CB 4.05Å; D1077-P1079 WeakPolarHBondContact O-CD 3.32Å
1078	D	63.7	Low	73.3	Confident	36 Å²	36	92.4 Å²	92.4	19%	0.193	48%	0.484	C	S	.	.			trans	-78.3	115.7	-175.7	174.1	11.1	0	0	0	109.8	S1080 G1081 N1082 R1083	D1078-S1080 PolarHBondContact O-N 3Å; D1078-S1080 WeakPolarHBondContact OD1-CB 3.45Å; D1078-S1080 PolarHBondContact OD1-N 3.32Å; D1078-S1080 PolarHBondContact OD1-OG 3.28Å; D1078-S1080 PolarHBondContact OD2-OG 3.45Å; D1078-G1081 PolarHBondContact O-N 3.25Å; D1078-N1082 WeakPolarHBondContact OD2-CB 2.93Å; D1078-N1082 PolarHBondContact OD2-N 3.41Å; D1078-R1083 HydrophobicContact CB-CB 3.52Å; D1078-R1083 HydrophobicContact CB-CG 3.83Å; D1078-R1083 PolarHBondContact OD2-N 2.75Å
1079	P	62.6	Low	72.5	Confident	109 Å²	109	92.9 Å²	92.9	71%	0.708	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.7	-179.3	24.6	-32.7	0	0	0	113	D1077 G1081	D1077-P1079 WeakPolarHBondContact O-CD 3.32Å; P1079-G1081 VanDerWaalsContact C-N 3.3Å
1080	S	62.8	Low	72.2	Confident	72 Å²	72	92 Å²	92	50%	0.503	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-10.1	175.7	77.4	0	0	0	0	113.9	D1078 N1082	D1078-S1080 PolarHBondContact O-N 3Å; D1078-S1080 WeakPolarHBondContact OD1-CB 3.45Å; D1078-S1080 PolarHBondContact OD1-N 3.32Å; D1078-S1080 PolarHBondContact OD1-OG 3.28Å; D1078-S1080 PolarHBondContact OD2-OG 3.45Å; S1080-N1082 PolarHBondContact O-N 3.11Å; S1080-N1082 PolarHBondContact OG-N 3.19Å; S1080-N1082 PolarHBondContact OG-ND2 3.21Å
1081	G	65.1	Low	72.1	Confident	32 Å²	32	92.3 Å²	92.3	33%	0.33	48%	0.477	S	S	.	.	S	Bend	trans	71.3	-2.3	-175	0	0	0	0	0	114.4	D1078 P1079 A1084 L1085	D1078-G1081 PolarHBondContact O-N 3.25Å; P1079-G1081 VanDerWaalsContact C-N 3.3Å; G1081-A1084 PolarHBondContact O-N 3.01Å; G1081-L1085 PolarHBondContact O-N 3.18Å
1082	N	57	Low	71.9	Confident	90 Å²	90	95.4 Å²	95.4	48%	0.481	51%	0.513	S	S	.	.	H	α-helix	trans	-69.2	-43.1	-178.5	-72.1	-50.7	0	0	0	111.3	D1078 S1080 A1084 L1085 W1086	D1078-N1082 WeakPolarHBondContact OD2-CB 2.93Å; D1078-N1082 PolarHBondContact OD2-N 3.41Å; S1080-N1082 PolarHBondContact O-N 3.11Å; S1080-N1082 PolarHBondContact OG-N 3.19Å; S1080-N1082 PolarHBondContact OG-ND2 3.21Å; N1082-A1084 VanDerWaalsContact C-N 3.3Å; N1082-A1084 PolarHBondContact O-N 3.4Å; N1082-L1085 WeakPolarHBondContact O-CB 3.37Å; N1082-L1085 PolarHBondContact O-N 3.28Å; N1082-W1086 PolarHBondContact O-N 2.91Å
1083	R	55.6	Low	71.9	Confident	125 Å²	125	91.7 Å²	91.7	47%	0.472	50%	0.501	S	S	.	.	H	α-helix	trans	-62.2	-36.2	172	-77.5	-176	153.6	154.8	-5.6	112.1	E1076 D1078 L1085 W1086 D1087	E1076-R1083 IonicContact OE2-NH1 3.81Å; D1078-R1083 HydrophobicContact CB-CB 3.52Å; D1078-R1083 HydrophobicContact CB-CG 3.83Å; D1078-R1083 PolarHBondContact OD2-N 2.75Å; R1083-L1085 PolarHBondContact O-N 2.8Å; R1083-W1086 PolarHBondContact O-N 2.78Å; R1083-D1087 HydrophobicContact CB-CB 4.17Å; R1083-D1087 WeakPolarHBondContact O-CA 3.41Å; R1083-D1087 WeakPolarHBondContact O-CB 3.48Å; R1083-D1087 PolarHBondContact O-N 3.15Å
1084	A	59.9	Low	72	Confident	64 Å²	64	90.7 Å²	90.7	53%	0.529	50%	0.497	S	S	.	.	H	α-helix	trans	-59.5	-23.7	178.1	0	0	0	0	0	113.3	G1081 N1082	G1081-A1084 PolarHBondContact O-N 3.01Å; N1082-A1084 VanDerWaalsContact C-N 3.3Å; N1082-A1084 PolarHBondContact O-N 3.4Å
1085	L	66.1	Low	72.4	Confident	119 Å²	119	88.8 Å²	88.8	62%	0.623	49%	0.492	S	S	*	.	H	α-helix	trans	-80.6	-36.3	173.7	-71.6	165.5	0	0	0	113.5	G1081 N1082 R1083	G1081-L1085 PolarHBondContact O-N 3.18Å; N1082-L1085 WeakPolarHBondContact O-CB 3.37Å; N1082-L1085 PolarHBondContact O-N 3.28Å; R1083-L1085 PolarHBondContact O-N 2.8Å
1086	W	68.4	Low	73.1	Confident	219 Å²	219	89 Å²	89	83%	0.83	49%	0.493	S	S	*	.	H	α-helix	trans	-98.2	-40.9	-173.4	-63.5	111.8	0	0	0	113.8	N1082 R1083 R1088	N1082-W1086 PolarHBondContact O-N 2.91Å; R1083-W1086 PolarHBondContact O-N 2.78Å; W1086-R1088 PolarHBondContact O-N 3Å
1087	D	66.3	Low	74.4	Confident	96 Å²	96	84.9 Å²	84.9	51%	0.513	47%	0.473	S	S	.	.	S	Bend	trans	-86.2	81.3	177.5	-157.3	-0.8	0	0	0	108.5	R1083	R1083-D1087 HydrophobicContact CB-CB 4.17Å; R1083-D1087 WeakPolarHBondContact O-CA 3.41Å; R1083-D1087 WeakPolarHBondContact O-CB 3.48Å; R1083-D1087 PolarHBondContact O-N 3.15Å
1088	R	72.3	Confident	75.8	Confident	207 Å²	207	82.2 Å²	82.2	78%	0.781	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-84.3	133.7	176.9	-65.4	-173.2	178.2	-167.4	-1.6	109.1	W1086	W1086-R1088 PolarHBondContact O-N 3Å
1089	G	80	Confident	77.3	Confident	32 Å²	32	84.4 Å²	84.4	33%	0.33	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-67.4	173.1	169.5	0	0	0	0	0	112.7	G1093	G1089-G1093 CarbonylContact C-O 3.57Å; G1089-G1093 WeakPolarHBondContact CA-O 3.5Å
1090	F	85.3	Confident	78.9	Confident	116 Å²	116	80.3 Å²	80.3	51%	0.509	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-85.3	134.4	-173.2	-174.3	-111.5	0	0	0	110.9	G1092 G1093 A1094 K1097	F1090-G1092 PolarHBondContact O-N 2.81Å; F1090-G1093 PolarHBondContact O-N 3.03Å; F1090-A1094 PolarHBondContact N-O 3.41Å; F1090-K1097 HydrophobicContact CD1-CD 4.4Å; F1090-K1097 HydrophobicContact CD1-CG 3.88Å; F1090-K1097 VanDerWaalsContact O-CE 3.29Å; F1090-K1097 WeakPolarHBondContact O-CE 3.42Å; F1090-K1097 PolarHBondContact O-NZ 2.85Å
1091	L	89.3	Confident	80.5	Confident	136 Å²	136	78.3 Å²	78.3	71%	0.712	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	53.2	31.6	179.6	-61.7	171.8	0	0	0	114.6	G1093	L1091-G1093 VanDerWaalsContact C-N 3.28Å; L1091-G1093 PolarHBondContact O-N 2.69Å
1092	G	85.7	Confident	82.1	Confident	86 Å²	86	76.9 Å²	76.9	89%	0.887	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	79.7	4	-178.4	0	0	0	0	0	115.1	F1090	F1090-G1092 PolarHBondContact O-N 2.81Å
1093	G	88.9	Confident	84	Confident	31 Å²	31	72.8 Å²	72.8	32%	0.32	39%	0.39	S	S	.	.	S	Bend	trans	-112.9	-146.2	174.8	0	0	0	0	0	112.5	D1035 G1089 F1090 L1091	D1035-G1093 VanDerWaalsContact OD2-CA 3.23Å; D1035-G1093 WeakPolarHBondContact OD2-CA 3.43Å; G1089-G1093 CarbonylContact C-O 3.57Å; G1089-G1093 WeakPolarHBondContact CA-O 3.5Å; F1090-G1093 PolarHBondContact O-N 3.03Å; L1091-G1093 VanDerWaalsContact C-N 3.28Å; L1091-G1093 PolarHBondContact O-N 2.69Å
1094	A	89.3	Confident	86	Confident	11 Å²	11	67 Å²	67	9%	0.091	37%	0.368	C	S	.	.			trans	-71.9	162.8	175.7	0	0	0	0	0	112.5	I1032 D1035 F1090 Q1096 K1097	I1032-A1094 HydrophobicContact CG2-CB 4.07Å; D1035-A1094 HydrophobicContact CB-CB 4.27Å; D1035-A1094 VanDerWaalsContact CG-N 3.35Å; D1035-A1094 WeakPolarHBondContact OD1-CB 3.5Å; D1035-A1094 PolarHBondContact OD1-N 2.89Å; D1035-A1094 PolarHBondContact OD2-N 2.82Å; F1090-A1094 PolarHBondContact N-O 3.41Å; A1094-Q1096 VanDerWaalsContact C-N 3.33Å; A1094-K1097 WeakPolarHBondContact O-CE 3.45Å; A1094-K1097 PolarHBondContact O-NZ 2.69Å
1095	S	89	Confident	87.8	Confident	62 Å²	62	64.5 Å²	64.5	43%	0.434	35%	0.345	S	S	.	.	S	Bend	trans	-71.2	-26	-179.8	54.3	0	0	0	0	113.5
1096	Q	93.6	Very high	89.3	Confident	41 Å²	41	58.9 Å²	58.9	19%	0.192	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.8	-179.7	-60.3	172.6	68.9	0	0	110.2	F1033 A1034 D1035 I1072 A1094	F1033-Q1096 WeakPolarHBondContact O-CB 3.45Å; A1034-Q1096 WeakPolarHBondContact CA-O 3.41Å; A1034-Q1096 HydrophobicContact CB-CB 4.16Å; D1035-Q1096 PolarHBondContact N-O 2.81Å; I1072-Q1096 PolarHBondContact O-NE2 3.25Å; A1094-Q1096 VanDerWaalsContact C-N 3.33Å
1097	K	95.2	Very high	90.5	Very high	36 Å²	36	49.1 Å²	49.1	16%	0.157	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	153.4	-175	-61.6	-56.8	-178.9	-178.4	0	112.1	D1035 T1037 P1068 F1090 A1094	D1035-K1097 CarbonylContact O-C 3.56Å; D1035-K1097 WeakPolarHBondContact O-CA 3.14Å; D1035-K1097 WeakPolarHBondContact OD1-CD 3.31Å; D1035-K1097 WeakPolarHBondContact OD1-CE 3.42Å; D1035-K1097 IonicContact OD1-NZ 2.88Å; D1035-K1097 PolarHBondContact OD1-NZ 2.88Å; D1035-K1097 IonicContact OD2-NZ 3.37Å; D1035-K1097 PolarHBondContact OD2-NZ 2.87Å; T1037-K1097 HydrophobicContact CG2-CB 3.88Å; T1037-K1097 HydrophobicContact CG2-CD 3.85Å; T1037-K1097 HydrophobicContact CG2-CG 3.74Å; P1068-K1097 WeakPolarHBondContact CD-O 3.46Å; P1068-K1097 VanDerWaalsContact CG-O 3.22Å; P1068-K1097 WeakPolarHBondContact CG-O 3.36Å; F1090-K1097 HydrophobicContact CD1-CD 4.4Å; F1090-K1097 HydrophobicContact CD1-CG 3.88Å; F1090-K1097 VanDerWaalsContact O-CE 3.29Å; F1090-K1097 WeakPolarHBondContact O-CE 3.42Å; F1090-K1097 PolarHBondContact O-NZ 2.85Å; A1094-K1097 WeakPolarHBondContact O-CE 3.45Å; A1094-K1097 PolarHBondContact O-NZ 2.69Å
1098	C	94.6	Very high	91.9	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.041	26%	0.262	C	S	.	.			trans	-88.9	148	178	-60.4	0	0	0	0	112.7	W1019 D1035 L1067	W1019-C1098 HydrophobicContact CH2-CB 3.85Å; W1019-C1098 WeakPolarHBondContact CH2-SG 3.39Å; W1019-C1098 HydrophobicContact CZ3-CB 4.1Å; W1019-C1098 WeakPolarHBondContact CZ3-SG 3.48Å; D1035-C1098 PolarHBondContact O-N 2.92Å; D1035-C1098 PolarHBondContact O-SG 2.84Å; D1035-C1098 VanDerWaalsContact O-SG 3.37Å; L1067-C1098 VanDerWaalsContact CD2-SG 3.53Å
1099	D	95.6	Very high	93.1	Very high	82 Å²	82	37 Å²	37	44%	0.439	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.2	173.6	-68.7	-37.6	0	0	0	110.6	L1065 R1066 L1101	L1065-D1099 WeakPolarHBondContact CA-O 3.44Å; R1066-D1099 PolarHBondContact N-O 2.86Å; R1066-D1099 PolarHBondContact O-N 3.2Å; D1099-L1101 PolarHBondContact O-N 2.76Å
1100	V	96.7	Very high	93.9	Very high	24 Å²	24	35.5 Å²	35.5	15%	0.145	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	106	170.8	-177.9	0	0	0	0	109.1	T1063 L1065 R1180	T1063-V1100 HydrophobicContact CG2-CG1 3.74Å; L1065-V1100 HydrophobicContact CD2-CB 4.44Å; L1065-V1100 HydrophobicContact CD2-CG2 3.78Å; V1100-R1180 PolarHBondContact O-NE 2.71Å; V1100-R1180 PolarHBondContact O-NH1 2.98Å
1101	L	96.7	Very high	94.5	Very high	30 Å²	30	30.8 Å²	30.8	16%	0.157	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-46.4	-180	-63.9	-172.1	0	0	0	112.7	M1 T1052 I1064 R1066 D1099 N1181	M1-L1101 HydrophobicContact CB-CD1 4.4Å; T1052-L1101 HydrophobicContact CG2-CD1 4.3Å; I1064-L1101 HydrophobicContact CB-CB 4.39Å; I1064-L1101 HydrophobicContact CG2-CB 4.22Å; I1064-L1101 HydrophobicContact CG2-CD1 4.25Å; I1064-L1101 PolarHBondContact O-N 3.39Å; R1066-L1101 HydrophobicContact CB-CD1 3.6Å; R1066-L1101 HydrophobicContact CB-CD2 4.24Å; R1066-L1101 HydrophobicContact CB-CG 3.76Å; R1066-L1101 HydrophobicContact CG-CD1 4.31Å; D1099-L1101 PolarHBondContact O-N 2.76Å; L1101-N1181 PolarHBondContact O-ND2 3.17Å
1102	C	97.5	Very high	94.8	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.014	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	146.6	-176.4	-59.8	0	0	0	0	109.7	L3 T1063 I1064 R1180 V1182	L3-C1102 HydrophobicContact CD1-CB 4.28Å; T1063-C1102 WeakPolarHBondContact CA-O 3.42Å; T1063-C1102 WeakPolarHBondContact CG2-O 3.45Å; I1064-C1102 HydrophobicContact CB-CB 4.01Å; I1064-C1102 HydrophobicContact CD1-CB 4.15Å; I1064-C1102 HydrophobicContact CG1-CB 4.06Å; I1064-C1102 PolarHBondContact N-O 3.38Å; C1102-R1180 VanDerWaalsContact CA-O 3.25Å; C1102-R1180 WeakPolarHBondContact CA-O 3.31Å; C1102-V1182 HydrophobicContact CB-CG2 4Å
1103	H	97.8	Very high	95.4	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.019	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	134.8	171.5	-179.3	77.6	0	0	0	109.4	T1063 Y1177 P1178 V1179 R1180	T1063-H1103 PolarHBondContact OG1-ND1 3.37Å; H1103-Y1177 PolarHBondContact CD2-O 2.93Å; H1103-Y1177 AromaticContact CE1-CD2 3.43Å; H1103-Y1177 VanDerWaalsContact CE1-CD2 3.43Å; H1103-Y1177 WeakPolarHBondContact CE1-CD2 3.49Å; H1103-Y1177 AromaticContact CE1-CG 3.96Å; H1103-Y1177 WeakPolarHBondContact NE2-CB 3.34Å; H1103-Y1177 AromaticContact NE2-CD2 3.86Å; H1103-Y1177 PolarHBondContact NE2-O 2.88Å; H1103-P1178 PolarHBondContact CD2-O 2.86Å; H1103-V1179 WeakPolarHBondContact O-CA 3.1Å; H1103-R1180 HydrophobicContact CB-CB 4.35Å; H1103-R1180 PolarHBondContact N-O 2.88Å; H1103-R1180 VanDerWaalsContact N-O 3.07Å; H1103-R1180 PolarHBondContact O-N 3.1Å
1104	F	97.9	Very high	95.8	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.009	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	130	-179.3	-173.9	-106.1	0	0	0	111.3	N5 N1061 V1062 V1106 R1173 V1179 V1182 D1184	N5-F1104 HydrophobicContact CB-CE1 3.92Å; N5-F1104 HydrophobicContact CB-CE2 4.46Å; N5-F1104 HydrophobicContact CB-CZ 3.8Å; N1061-F1104 WeakPolarHBondContact CA-O 3.41Å; V1062-F1104 PolarHBondContact N-O 3.04Å; V1062-F1104 PolarHBondContact O-N 3.25Å; F1104-V1106 HydrophobicContact CD1-CG2 3.96Å; F1104-V1106 HydrophobicContact CE1-CG2 4.25Å; F1104-R1173 HydrophobicContact CE2-CB 4.36Å; F1104-R1173 HydrophobicContact CE2-CG 3.97Å; F1104-R1173 VanDerWaalsContact CZ-CZ 3.44Å; F1104-V1179 HydrophobicContact CD2-CG2 4.01Å; F1104-V1182 HydrophobicContact CB-CB 4.08Å; F1104-V1182 HydrophobicContact CB-CG1 4.14Å; F1104-V1182 HydrophobicContact CB-CG2 3.91Å; F1104-V1182 HydrophobicContact CD2-CB 3.83Å; F1104-V1182 HydrophobicContact CD2-CG1 3.59Å; F1104-V1182 HydrophobicContact CE2-CG1 4.04Å; F1104-V1182 HydrophobicContact CG-CB 4.2Å; F1104-V1182 HydrophobicContact CG-CG1 3.86Å; F1104-D1184 HydrophobicContact CE2-CB 4.13Å; F1104-D1184 HydrophobicContact CZ-CB 4.3Å
1105	Y	98.1	Very high	96.1	Very high	12 Å²	12	24.5 Å²	24.5	5%	0.047	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	115.3	170.7	178.6	-106.5	0	0	0	110.6	F1059 N1061 G1107 Y1172 R1173 Q1175 H1176	F1059-Y1105 WeakPolarHBondContact O-CE2 3.47Å; N1061-Y1105 WeakPolarHBondContact OD1-CD2 3.32Å; Y1105-G1107 VanDerWaalsContact CE1-CA 3.45Å; Y1105-Y1172 HydrophobicContact CD1-CD2 4.3Å; Y1105-Y1172 HydrophobicContact CD1-CE1 4.46Å; Y1105-Y1172 HydrophobicContact CD1-CE2 4.11Å; Y1105-Y1172 WeakPolarHBondContact CD1-O 3.38Å; Y1105-Y1172 AromaticContact CE1-CD2 3.98Å; Y1105-Y1172 HydrophobicContact CE1-CD2 3.98Å; Y1105-Y1172 AromaticContact CE1-CE2 3.56Å; Y1105-Y1172 HydrophobicContact CE1-CE2 3.56Å; Y1105-Y1172 AromaticContact CE1-CZ 3.92Å; Y1105-R1173 WeakPolarHBondContact CB-O 3.23Å; Y1105-R1173 PolarHBondContact N-O 2.79Å; Y1105-R1173 VanDerWaalsContact O-CD 3.28Å; Y1105-R1173 WeakPolarHBondContact O-CD 2.82Å; Y1105-R1173 PolarHBondContact O-NH1 2.93Å; Y1105-Q1175 HydrophobicContact CD1-CB 3.88Å; Y1105-Q1175 HydrophobicContact CD2-CB 3.98Å; Y1105-Q1175 HydrophobicContact CE1-CB 4.01Å; Y1105-Q1175 HydrophobicContact CE1-CG 4.33Å; Y1105-Q1175 HydrophobicContact CE2-CB 4.08Å; Y1105-Q1175 HydrophobicContact CE2-CG 4.16Å; Y1105-Q1175 HydrophobicContact CG-CB 3.85Å; Y1105-H1176 AromaticContact CD2-CD2 3.9Å; Y1105-H1176 AromaticContact CE2-CD2 3.85Å; Y1105-H1176 AromaticContact CE2-NE2 3.94Å
1106	V	96.9	Very high	96.4	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	12%	0.118	C	C	.	.			trans	-76.1	-30.3	-177.5	175.3	0	0	0	0	111.5	K36 G1060 V1062 F1104 V1110 Y1128 T1130 R1173	K36-V1106 PolarHBondContact NZ-O 2.94Å; G1060-V1106 PolarHBondContact O-N 3.09Å; V1062-V1106 HydrophobicContact CG2-CG2 3.83Å; F1104-V1106 HydrophobicContact CD1-CG2 3.96Å; F1104-V1106 HydrophobicContact CE1-CG2 4.25Å; V1106-V1110 HydrophobicContact CB-CG2 4.2Å; V1106-V1110 HydrophobicContact CG1-CG2 4.3Å; V1106-V1110 HydrophobicContact CG2-CG2 3.92Å; V1106-Y1128 HydrophobicContact CG1-CE2 3.72Å; V1106-Y1128 HydrophobicContact CG2-CE2 4.32Å; V1106-T1130 HydrophobicContact CG1-CG2 4.18Å; V1106-R1173 PolarHBondContact O-NH1 2.94Å; V1106-R1173 VanDerWaalsContact O-NH1 3.15Å
1107	G	93.6	Very high	96.4	Very high	15 Å²	15	22.4 Å²	22.4	16%	0.155	12%	0.122	C	C	.	.	S	Bend	trans	102.9	-14.5	-173.2	0	0	0	0	0	114.6	Y1105 Y1172	Y1105-G1107 VanDerWaalsContact CE1-CA 3.45Å; G1107-Y1172 WeakPolarHBondContact CA-OH 3.34Å
1108	E	95.1	Very high	96.3	Very high	12 Å²	12	20.7 Å²	20.7	6%	0.056	12%	0.115	C	C	.	.	S	Bend	trans	-143.3	152.1	-171.7	-65.5	166	-166.5	0	0	109.2	A11 K36 G1060 V1110 T1130 S1132 S1134	A11-E1108 VanDerWaalsContact CB-OE1 3.27Å; A11-E1108 WeakPolarHBondContact CB-OE1 3.29Å; K36-E1108 WeakPolarHBondContact CE-OE1 3.16Å; G1060-E1108 WeakPolarHBondContact CA-O 3.44Å; E1108-V1110 PolarHBondContact O-N 2.8Å; E1108-T1130 HydrophobicContact CB-CG2 3.99Å; E1108-T1130 WeakPolarHBondContact OE2-CB 3.49Å; E1108-T1130 PolarHBondContact OE2-OG1 2.94Å; E1108-S1132 WeakPolarHBondContact CG-OG 3.29Å; E1108-S1134 WeakPolarHBondContact OE2-CB 3.5Å; E1108-S1134 PolarHBondContact OE2-OG 2.87Å
1109	V	97.5	Very high	96	Very high	36 Å²	36	21.5 Å²	21.5	22%	0.218	12%	0.118	C	C	.	.			trans	-68	117.5	-179.4	-175.3	0	0	0	0	110.3	I1043 K1058 T1130 I1131	I1043-V1109 HydrophobicContact CD1-CG1 3.11Å; K1058-V1109 VanDerWaalsContact O-CG2 3.32Å; K1058-V1109 WeakPolarHBondContact O-CG2 3.36Å; V1109-T1130 CarbonylContact O-C 3.53Å; V1109-T1130 WeakPolarHBondContact O-CA 3.25Å; V1109-T1130 WeakPolarHBondContact O-CB 3.24Å; V1109-I1131 HydrophobicContact CB-CB 4.23Å; V1109-I1131 HydrophobicContact CB-CG2 3.72Å; V1109-I1131 HydrophobicContact CG2-CG2 4.21Å; V1109-I1131 PolarHBondContact O-N 3.03Å
1110	V	97.9	Very high	95.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	114.9	179.4	172.1	0	0	0	0	110.1	S1056 V1062 V1106 E1108 C1112 L1113 Y1128 S1129 T1130	S1056-V1110 VanDerWaalsContact CB-O 3.32Å; S1056-V1110 WeakPolarHBondContact CB-O 3.32Å; S1056-V1110 PolarHBondContact OG-O 3.47Å; V1062-V1110 HydrophobicContact CG2-CB 4.36Å; V1062-V1110 HydrophobicContact CG2-CG1 4.38Å; V1062-V1110 HydrophobicContact CG2-CG2 3.86Å; V1106-V1110 HydrophobicContact CB-CG2 4.2Å; V1106-V1110 HydrophobicContact CG1-CG2 4.3Å; V1106-V1110 HydrophobicContact CG2-CG2 3.92Å; E1108-V1110 PolarHBondContact O-N 2.8Å; V1110-C1112 WeakPolarHBondContact CG1-O 3.07Å; V1110-L1113 HydrophobicContact CG1-CD2 4.01Å; V1110-L1113 HydrophobicContact CG1-CG 4.07Å; V1110-Y1128 HydrophobicContact CG2-CD2 4.09Å; V1110-S1129 CarbonylContact C-O 3.46Å; V1110-S1129 WeakPolarHBondContact CA-O 3.29Å; V1110-T1130 HydrophobicContact CG2-CG2 4.1Å
1111	T	96.9	Very high	94.8	Very high	18 Å²	18	23.6 Å²	23.6	11%	0.11	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-28	-173.9	55.9	0	0	0	0	113.6	V407 S1129 I1131	V407-T1111 VanDerWaalsContact O-CB 3.23Å; V407-T1111 WeakPolarHBondContact O-CB 3.35Å; V407-T1111 VanDerWaalsContact O-CG2 3.24Å; V407-T1111 WeakPolarHBondContact O-CG2 3.39Å; V407-T1111 PolarHBondContact O-OG1 3.21Å; T1111-S1129 PolarHBondContact N-O 3.45Å; T1111-S1129 PolarHBondContact OG1-O 2.71Å; T1111-S1129 PolarHBondContact OG1-OG 3.02Å; T1111-I1131 HydrophobicContact CG2-CB 4.12Å
1112	C	96.9	Very high	94.3	Very high	8 Å²	8	23 Å²	23	5%	0.054	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.9	176.7	-170.4	0	0	0	0	111.2	C410 V1110 Y1128 S1129	C410-C1112 HydrophobicContact CB-CB 4.1Å; C410-C1112 PolarHBondContact O-SG 2.9Å; V1110-C1112 WeakPolarHBondContact CG1-O 3.07Å; C1112-Y1128 VanDerWaalsContact O-CA 3.29Å; C1112-Y1128 WeakPolarHBondContact O-CA 3.47Å; C1112-S1129 VanDerWaalsContact CB-OG 3.28Å; C1112-S1129 WeakPolarHBondContact CB-OG 3.29Å; C1112-S1129 PolarHBondContact N-O 3.12Å; C1112-S1129 PolarHBondContact O-N 2.56Å
1113	L	97.3	Very high	94	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.2	167.9	-70.7	168.8	0	0	0	108.1	H1044 A1046 A1054 V1062 V1110 I1126 V1127	H1044-L1113 PolarHBondContact CE1-O 2.88Å; H1044-L1113 VanDerWaalsContact CE1-O 3.23Å; H1044-L1113 PolarHBondContact ND1-N 3.43Å; H1044-L1113 PolarHBondContact ND1-O 3.36Å; A1046-L1113 HydrophobicContact CB-CB 3.7Å; A1046-L1113 WeakPolarHBondContact CB-O 3.4Å; A1054-L1113 HydrophobicContact CB-CD1 4.21Å; V1062-L1113 HydrophobicContact CG1-CD1 4.48Å; V1062-L1113 HydrophobicContact CG1-CD2 4.22Å; V1062-L1113 HydrophobicContact CG2-CD2 4.4Å; V1110-L1113 HydrophobicContact CG1-CD2 4.01Å; V1110-L1113 HydrophobicContact CG1-CG 4.07Å; L1113-I1126 HydrophobicContact CD2-CG2 4.08Å; L1113-V1127 WeakPolarHBondContact CA-O 3.49Å
1114	Q	96.8	Very high	93.8	Very high	39 Å²	39	30.1 Å²	30.1	18%	0.182	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	132.3	175.2	-173	174.1	-22.8	0	0	110.5	H411 I412 A1116 V1127	H411-Q1114 PolarHBondContact ND1-OE1 3.39Å; I412-Q1114 PolarHBondContact O-NE2 2.91Å; Q1114-A1116 HydrophobicContact CG-CB 4.48Å; Q1114-A1116 PolarHBondContact O-N 2.92Å; Q1114-V1127 PolarHBondContact N-O 2.93Å; Q1114-V1127 PolarHBondContact O-N 3.14Å
1115	K	96.5	Very high	93.7	Very high	82 Å²	82	30.1 Å²	30.1	36%	0.357	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	116.9	167.6	-170	-176.1	68.1	136.9	0	108.3	L1048 E1124 G1125	L1048-K1115 HydrophobicContact CD2-CB 4.4Å; K1115-E1124 WeakPolarHBondContact CD-OE2 3.26Å; K1115-E1124 WeakPolarHBondContact CE-OE2 3.46Å; K1115-E1124 IonicContact NZ-OE1 3.48Å; K1115-E1124 IonicContact NZ-OE2 2.94Å; K1115-E1124 PolarHBondContact NZ-OE2 2.77Å; K1115-G1125 WeakPolarHBondContact CA-O 3.16Å
1116	A	94.7	Very high	93.7	Very high	12 Å²	12	29.9 Å²	29.9	10%	0.099	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	160.6	-175.4	0	0	0	0	0	112.1	I412 Q1114 G1125 V1127	I412-A1116 HydrophobicContact CB-CB 4.2Å; I412-A1116 HydrophobicContact CD1-CB 4.06Å; I412-A1116 HydrophobicContact CG2-CB 4.09Å; Q1114-A1116 HydrophobicContact CG-CB 4.48Å; Q1114-A1116 PolarHBondContact O-N 2.92Å; A1116-G1125 PolarHBondContact N-O 3.24Å; A1116-G1125 PolarHBondContact O-N 2.87Å; A1116-V1127 HydrophobicContact CB-CG2 4.29Å
1117	T	94.8	Very high	93.7	Very high	46 Å²	46	30 Å²	30	28%	0.282	19%	0.194	S	C	.	.			trans	-106.6	125.2	168.7	-60	0	0	0	0	107.5	P421 I1119 G1122 E1124	P421-T1117 WeakPolarHBondContact CG-O 3.45Å; T1117-I1119 WeakPolarHBondContact CG2-O 3.43Å; T1117-G1122 WeakPolarHBondContact CG2-O 3.28Å; T1117-E1124 WeakPolarHBondContact OG1-CG 3.33Å
1118	L	92.3	Very high	93.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	19%	0.188	C	C	.	.			trans	-94.3	-18.5	-174.5	-67.9	-179.8	0	0	0	114.5	L8 I412 L423 V1127 M1137 A1225 F1226	L8-L1118 HydrophobicContact CD1-CD1 3.33Å; I412-L1118 HydrophobicContact CD1-CD2 4.18Å; I412-L1118 HydrophobicContact CG2-CD2 4Å; L423-L1118 HydrophobicContact CD1-CD2 4.27Å; L1118-V1127 HydrophobicContact CD1-CG2 4.01Å; L1118-V1127 HydrophobicContact CD2-CG2 4.13Å; L1118-V1127 HydrophobicContact CG-CG2 4.06Å; L1118-M1137 HydrophobicContact CD1-SD 3.87Å; L1118-M1137 HydrophobicContact CG-SD 4.45Å; L1118-A1225 HydrophobicContact CD1-CB 4.47Å; L1118-F1226 HydrophobicContact CB-CE1 4.05Å; L1118-F1226 HydrophobicContact CB-CZ 4.05Å; L1118-F1226 HydrophobicContact CD1-CE2 4.4Å; L1118-F1226 HydrophobicContact CD1-CZ 4.13Å
1119	I	88.2	Confident	94	Very high	23 Å²	23	29 Å²	29	12%	0.118	19%	0.186	C	C	.	.	S	Bend	trans	-127.8	141.8	-179.4	63.1	178.1	0	0	0	110.1	T1117 G1121 G1122 T1222 F1226	T1117-I1119 WeakPolarHBondContact CG2-O 3.43Å; I1119-G1121 PolarHBondContact O-N 2.84Å; I1119-G1122 PolarHBondContact O-N 2.72Å; I1119-T1222 WeakPolarHBondContact CD1-O 3.47Å; I1119-F1226 HydrophobicContact CG2-CD1 3.9Å; I1119-F1226 HydrophobicContact CG2-CE1 4.03Å
1120	P	83.9	Confident	94	Very high	60 Å²	60	27.3 Å²	27.3	39%	0.39	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	127.9	174.1	-23.4	32.7	0	0	0	111.2	D419 T420 G1122	D419-P1120 HydrophobicContact CB-CG 4.04Å; T420-P1120 WeakPolarHBondContact OG1-CD 3.32Å; P1120-G1122 PolarHBondContact O-N 3.47Å
1121	G	82.8	Confident	94	Very high	89 Å²	89	30.4 Å²	30.4	92%	0.918	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	1.1	-176.4	0	0	0	0	0	115.2	I1119	I1119-G1121 PolarHBondContact O-N 2.84Å
1122	G	86.4	Confident	94	Very high	18 Å²	18	30.9 Å²	30.9	19%	0.186	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-75	168	172.4	0	0	0	0	0	113.1	T1117 I1119 P1120 R1223	T1117-G1122 WeakPolarHBondContact CG2-O 3.28Å; I1119-G1122 PolarHBondContact O-N 2.72Å; P1120-G1122 PolarHBondContact O-N 3.47Å; G1122-R1223 WeakPolarHBondContact CA-O 3.16Å
1123	S	91.7	Very high	93.8	Very high	53 Å²	53	30.5 Å²	30.5	37%	0.371	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-86.3	151.4	174.9	-69	0	0	0	0	111.8	R1223 F1224	S1123-R1223 PolarHBondContact N-O 3.19Å; S1123-F1224 WeakPolarHBondContact O-CD1 3.47Å
1124	E	94	Very high	93.8	Very high	102 Å²	102	30.4 Å²	30.4	48%	0.477	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-65.8	141.7	173.8	-66.7	-174.3	161.2	0	0	111.5	K1115 T1117 F1224	K1115-E1124 WeakPolarHBondContact CD-OE2 3.26Å; K1115-E1124 WeakPolarHBondContact CE-OE2 3.46Å; K1115-E1124 IonicContact NZ-OE1 3.48Å; K1115-E1124 IonicContact NZ-OE2 2.94Å; K1115-E1124 PolarHBondContact NZ-OE2 2.77Å; T1117-E1124 WeakPolarHBondContact OG1-CG 3.33Å; E1124-F1224 WeakPolarHBondContact O-CE1 3.4Å
1125	G	95	Very high	93.8	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	179.4	165.8	0	0	0	0	0	111.9	K1115 A1116 M1137	K1115-G1125 WeakPolarHBondContact CA-O 3.16Å; A1116-G1125 PolarHBondContact N-O 3.24Å; A1116-G1125 PolarHBondContact O-N 2.87Å; G1125-M1137 VanDerWaalsContact N-CE 3.35Å
1126	I	97.6	Very high	93.8	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.031	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	101.5	-178.7	-50.1	168.4	0	0	0	107.9	M1 L1048 A1054 I1064 L1113 M1137 L1138	M1-I1126 HydrophobicContact CE-CD1 4.16Å; L1048-I1126 HydrophobicContact CD1-CD1 3.69Å; L1048-I1126 HydrophobicContact CD2-CD1 3.72Å; L1048-I1126 HydrophobicContact CD2-CG1 3.77Å; L1048-I1126 HydrophobicContact CG-CD1 4.38Å; A1054-I1126 HydrophobicContact CB-CD1 4.41Å; I1064-I1126 HydrophobicContact CD1-CD1 3.78Å; L1113-I1126 HydrophobicContact CD2-CG2 4.08Å; I1126-M1137 CarbonylContact O-C 3.57Å; I1126-M1137 WeakPolarHBondContact O-CA 3.31Å; I1126-L1138 HydrophobicContact CB-CB 4.21Å; I1126-L1138 PolarHBondContact N-O 3.28Å; I1126-L1138 PolarHBondContact O-N 2.9Å
1127	V	97.7	Very high	93.9	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.03	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	138.5	176.6	-171.9	0	0	0	0	109	I412 L1113 Q1114 A1116 L1118 I1135 G1136 M1137	I412-V1127 HydrophobicContact CD1-CB 3.54Å; I412-V1127 HydrophobicContact CD1-CG1 3.51Å; I412-V1127 HydrophobicContact CD1-CG2 3.81Å; L1113-V1127 WeakPolarHBondContact CA-O 3.49Å; Q1114-V1127 PolarHBondContact N-O 2.93Å; Q1114-V1127 PolarHBondContact O-N 3.14Å; A1116-V1127 HydrophobicContact CB-CG2 4.29Å; L1118-V1127 HydrophobicContact CD1-CG2 4.01Å; L1118-V1127 HydrophobicContact CD2-CG2 4.13Å; L1118-V1127 HydrophobicContact CG-CG2 4.06Å; V1127-I1135 HydrophobicContact CG1-CG2 4Å; V1127-G1136 CarbonylContact C-O 3.45Å; V1127-G1136 WeakPolarHBondContact CA-O 3.21Å; V1127-G1136 WeakPolarHBondContact CG1-O 3.48Å; V1127-M1137 HydrophobicContact CG2-CE 4.34Å; V1127-M1137 HydrophobicContact CG2-CG 4.12Å; V1127-M1137 HydrophobicContact CG2-SD 4.31Å
1128	Y	98.1	Very high	94.1	Very high	3 Å²	3	22.1 Å²	22.1	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	147.8	177.5	68	-100	0	0	0	111.1	N5 V1106 V1110 C1112 T1130 I1135 G1136 L1138	N5-Y1128 WeakPolarHBondContact OD1-CE1 3.34Å; N5-Y1128 PolarHBondContact OD1-OH 2.7Å; V1106-Y1128 HydrophobicContact CG1-CE2 3.72Å; V1106-Y1128 HydrophobicContact CG2-CE2 4.32Å; V1110-Y1128 HydrophobicContact CG2-CD2 4.09Å; C1112-Y1128 VanDerWaalsContact O-CA 3.29Å; C1112-Y1128 WeakPolarHBondContact O-CA 3.47Å; Y1128-T1130 HydrophobicContact CD2-CG2 4.12Å; Y1128-T1130 HydrophobicContact CE2-CG2 4.18Å; Y1128-I1135 WeakPolarHBondContact O-CA 3.44Å; Y1128-G1136 WeakPolarHBondContact CD1-O 3.11Å; Y1128-G1136 VanDerWaalsContact CE1-C 3.45Å; Y1128-G1136 PolarHBondContact N-O 2.68Å; Y1128-G1136 PolarHBondContact O-N 2.57Å; Y1128-L1138 HydrophobicContact CD1-CG 4.31Å; Y1128-L1138 HydrophobicContact CE1-CG 4.24Å
1129	S	97.6	Very high	94.2	Very high	2 Å²	2	22 Å²	22	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	147.2	171.8	64.4	0	0	0	0	110.5	V1110 T1111 C1112 S1134	V1110-S1129 CarbonylContact C-O 3.46Å; V1110-S1129 WeakPolarHBondContact CA-O 3.29Å; T1111-S1129 PolarHBondContact N-O 3.45Å; T1111-S1129 PolarHBondContact OG1-O 2.71Å; T1111-S1129 PolarHBondContact OG1-OG 3.02Å; C1112-S1129 VanDerWaalsContact CB-OG 3.28Å; C1112-S1129 WeakPolarHBondContact CB-OG 3.29Å; C1112-S1129 PolarHBondContact N-O 3.12Å; C1112-S1129 PolarHBondContact O-N 2.56Å; S1129-S1134 CarbonylContact C-O 3.55Å; S1129-S1134 WeakPolarHBondContact CA-O 3.28Å
1130	T	97.8	Very high	94.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	161.4	-177.4	79.3	0	0	0	0	113.4	V407 V1106 E1108 V1109 V1110 Y1128 S1132 G1133 S1134	V407-T1130 WeakPolarHBondContact CB-O 3.36Å; V1106-T1130 HydrophobicContact CG1-CG2 4.18Å; E1108-T1130 HydrophobicContact CB-CG2 3.99Å; E1108-T1130 WeakPolarHBondContact OE2-CB 3.49Å; E1108-T1130 PolarHBondContact OE2-OG1 2.94Å; V1109-T1130 CarbonylContact O-C 3.53Å; V1109-T1130 WeakPolarHBondContact O-CA 3.25Å; V1109-T1130 WeakPolarHBondContact O-CB 3.24Å; V1110-T1130 HydrophobicContact CG2-CG2 4.1Å; Y1128-T1130 HydrophobicContact CD2-CG2 4.12Å; Y1128-T1130 HydrophobicContact CE2-CG2 4.18Å; T1130-S1132 PolarHBondContact O-N 2.97Å; T1130-S1132 PolarHBondContact OG1-N 2.89Å; T1130-G1133 PolarHBondContact O-N 2.91Å; T1130-G1133 VanDerWaalsContact O-N 3.1Å; T1130-S1134 WeakPolarHBondContact CG2-OG 3.4Å; T1130-S1134 PolarHBondContact N-O 3.2Å; T1130-S1134 PolarHBondContact OG1-N 2.99Å; T1130-S1134 VanDerWaalsContact OG1-N 3.11Å; T1130-S1134 PolarHBondContact OG1-OG 3.05Å
1131	I	97.1	Very high	95.2	Very high	66 Å²	66	21.7 Å²	21.7	34%	0.338	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.3	173	-159.5	169.7	0	0	0	112.7	S405 P406 V1109 T1111 G1133	S405-I1131 PolarHBondContact OG-O 2.75Å; P406-I1131 WeakPolarHBondContact CA-O 3.44Å; P406-I1131 HydrophobicContact CB-CG1 3.66Å; P406-I1131 WeakPolarHBondContact CB-O 3.36Å; V1109-I1131 HydrophobicContact CB-CB 4.23Å; V1109-I1131 HydrophobicContact CB-CG2 3.72Å; V1109-I1131 HydrophobicContact CG2-CG2 4.21Å; V1109-I1131 PolarHBondContact O-N 3.03Å; T1111-I1131 HydrophobicContact CG2-CB 4.12Å; I1131-G1133 PolarHBondContact O-N 3.4Å
1132	S	95.7	Very high	95.6	Very high	27 Å²	27	21.6 Å²	21.6	19%	0.189	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	2.7	178	-50.7	0	0	0	0	112.8	T12 G13 E1108 T1130	T12-S1132 PolarHBondContact N-O 3.42Å; G13-S1132 PolarHBondContact N-O 2.65Å; E1108-S1132 WeakPolarHBondContact CG-OG 3.29Å; T1130-S1132 PolarHBondContact O-N 2.97Å; T1130-S1132 PolarHBondContact OG1-N 2.89Å
1133	G	94.8	Very high	96	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	85.2	16.4	-179.9	0	0	0	0	0	114.9	T1130 I1131	T1130-G1133 PolarHBondContact O-N 2.91Å; T1130-G1133 VanDerWaalsContact O-N 3.1Å; I1131-G1133 PolarHBondContact O-N 3.4Å
1134	S	96	Very high	96.1	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	15%	0.149	C	C	.	.			trans	-85.3	149.5	172.9	72.8	0	0	0	0	111.5	Q9 E1108 S1129 T1130	Q9-S1134 CarbonylContact O-C 3.36Å; Q9-S1134 VanDerWaalsContact O-CA 3.25Å; Q9-S1134 WeakPolarHBondContact O-CA 3.38Å; Q9-S1134 WeakPolarHBondContact O-CB 3.45Å; E1108-S1134 WeakPolarHBondContact OE2-CB 3.5Å; E1108-S1134 PolarHBondContact OE2-OG 2.87Å; S1129-S1134 CarbonylContact C-O 3.55Å; S1129-S1134 WeakPolarHBondContact CA-O 3.28Å; T1130-S1134 WeakPolarHBondContact CG2-OG 3.4Å; T1130-S1134 PolarHBondContact N-O 3.2Å; T1130-S1134 PolarHBondContact OG1-N 2.99Å; T1130-S1134 VanDerWaalsContact OG1-N 3.11Å; T1130-S1134 PolarHBondContact OG1-OG 3.05Å
1135	I	97.1	Very high	96.1	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.015	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.6	173.2	-54.4	178.4	0	0	0	106.9	L8 Q9 L404 L423 L438 F779 V1127 Y1128	L8-I1135 WeakPolarHBondContact CA-O 3.46Å; L8-I1135 WeakPolarHBondContact CB-O 3.32Å; L8-I1135 HydrophobicContact CD1-CG2 4.39Å; L8-I1135 PolarHBondContact N-O 3.15Å; Q9-I1135 HydrophobicContact CB-CB 4Å; Q9-I1135 HydrophobicContact CB-CD1 4.45Å; Q9-I1135 HydrophobicContact CB-CG1 4.18Å; Q9-I1135 PolarHBondContact N-O 2.85Å; Q9-I1135 PolarHBondContact O-N 2.73Å; L404-I1135 HydrophobicContact CD1-CD1 4.1Å; L423-I1135 HydrophobicContact CD2-CD1 3.94Å; L423-I1135 HydrophobicContact CD2-CG2 4.02Å; L438-I1135 HydrophobicContact CD1-CD1 3.53Å; F779-I1135 HydrophobicContact CE2-CD1 4.34Å; V1127-I1135 HydrophobicContact CG1-CG2 4Å; Y1128-I1135 WeakPolarHBondContact O-CA 3.44Å
1136	G	96.8	Very high	96	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	174	177.4	0	0	0	0	0	112.4	I6 V1127 Y1128	I6-G1136 CarbonylContact O-C 3.53Å; I6-G1136 WeakPolarHBondContact O-CA 3.32Å; V1127-G1136 CarbonylContact C-O 3.45Å; V1127-G1136 WeakPolarHBondContact CA-O 3.21Å; V1127-G1136 WeakPolarHBondContact CG1-O 3.48Å; Y1128-G1136 WeakPolarHBondContact CD1-O 3.11Å; Y1128-G1136 VanDerWaalsContact CE1-C 3.45Å; Y1128-G1136 PolarHBondContact N-O 2.68Å; Y1128-G1136 PolarHBondContact O-N 2.57Å
1137	M	97.1	Very high	95.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	132.5	-178.3	-169.1	174.2	-170.7	0	0	110.2	I6 L8 L1118 G1125 I1126 V1127 V1139 F1224 A1225	I6-M1137 PolarHBondContact N-O 3.23Å; I6-M1137 PolarHBondContact O-N 3.37Å; L8-M1137 HydrophobicContact CD1-CB 4.36Å; L1118-M1137 HydrophobicContact CD1-SD 3.87Å; L1118-M1137 HydrophobicContact CG-SD 4.45Å; G1125-M1137 VanDerWaalsContact N-CE 3.35Å; I1126-M1137 CarbonylContact O-C 3.57Å; I1126-M1137 WeakPolarHBondContact O-CA 3.31Å; V1127-M1137 HydrophobicContact CG2-CE 4.34Å; V1127-M1137 HydrophobicContact CG2-CG 4.12Å; V1127-M1137 HydrophobicContact CG2-SD 4.31Å; M1137-V1139 HydrophobicContact CG-CG2 3.99Å; M1137-V1139 HydrophobicContact SD-CG2 4.2Å; M1137-F1224 HydrophobicContact CE-CB 4.16Å; M1137-F1224 HydrophobicContact CE-CD1 4.46Å; M1137-F1224 HydrophobicContact SD-CB 4.25Å; M1137-A1225 HydrophobicContact SD-CB 4.21Å
1138	L	97.8	Very high	95.9	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	114.5	168.2	-62.2	169.5	0	0	0	108.9	L3 Y4 N5 V1062 I1126 Y1128 V1182	L3-L1138 HydrophobicContact CD1-CB 4.07Å; L3-L1138 HydrophobicContact CD1-CD1 4.23Å; L3-L1138 HydrophobicContact CD2-CB 4.44Å; Y4-L1138 WeakPolarHBondContact O-CA 3.34Å; N5-L1138 HydrophobicContact CB-CD2 3.87Å; V1062-L1138 HydrophobicContact CB-CD1 4.42Å; V1062-L1138 HydrophobicContact CG1-CD1 3.76Å; I1126-L1138 HydrophobicContact CB-CB 4.21Å; I1126-L1138 PolarHBondContact N-O 3.28Å; I1126-L1138 PolarHBondContact O-N 2.9Å; Y1128-L1138 HydrophobicContact CD1-CG 4.31Å; Y1128-L1138 HydrophobicContact CE1-CG 4.24Å; L1138-V1182 HydrophobicContact CD2-CG1 4.01Å
1139	V	96.2	Very high	95.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.7	-172.1	167.3	0	0	0	0	110.3	L3 Y4 I6 M1137 I1220 F1224	L3-V1139 CarbonylContact C-O 3.57Å; L3-V1139 VanDerWaalsContact CA-O 3.25Å; L3-V1139 WeakPolarHBondContact CA-O 3.41Å; Y4-V1139 PolarHBondContact N-O 2.76Å; Y4-V1139 PolarHBondContact O-N 2.99Å; I6-V1139 HydrophobicContact CD1-CG2 4.13Å; M1137-V1139 HydrophobicContact CG-CG2 3.99Å; M1137-V1139 HydrophobicContact SD-CG2 4.2Å; V1139-I1220 HydrophobicContact CG1-CG1 4.32Å; V1139-F1224 HydrophobicContact CB-CD1 4.34Å; V1139-F1224 HydrophobicContact CB-CD2 4.41Å; V1139-F1224 HydrophobicContact CB-CG 4.25Å; V1139-F1224 HydrophobicContact CG1-CB 4.31Å; V1139-F1224 HydrophobicContact CG1-CD1 3.65Å; V1139-F1224 HydrophobicContact CG1-CD2 3.27Å; V1139-F1224 HydrophobicContact CG1-CE1 3.63Å; V1139-F1224 HydrophobicContact CG1-CE2 3.25Å; V1139-F1224 HydrophobicContact CG1-CG 3.47Å; V1139-F1224 VanDerWaalsContact CG1-CG 3.47Å; V1139-F1224 HydrophobicContact CG1-CZ 3.43Å; V1139-F1224 VanDerWaalsContact CG1-CZ 3.43Å; V1139-F1224 HydrophobicContact CG2-CB 3.73Å; V1139-F1224 HydrophobicContact CG2-CD1 4.06Å; V1139-F1224 HydrophobicContact CG2-CD2 4.29Å; V1139-F1224 HydrophobicContact CG2-CG 3.78Å
1140	P	96.4	Very high	95.8	Very high	47 Å²	47	32.2 Å²	32.2	31%	0.305	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	134.1	175	29.9	-34.1	0	0	0	112.5	L3 A1142 F1224	L3-P1140 HydrophobicContact CD2-CB 4.14Å; P1140-A1142 PolarHBondContact O-N 2.84Å; P1140-F1224 HydrophobicContact CG-CE1 4.06Å; P1140-F1224 HydrophobicContact CG-CZ 4.46Å; P1140-F1224 WeakPolarHBondContact O-CZ 3.03Å
1141	F	95.9	Very high	95.7	Very high	29 Å²	29	35.1 Å²	35.1	13%	0.127	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-69.1	131.1	171.3	-75.9	-72.9	0	0	0	111.6	Y2 L3 Y4 A1146 Y1147 F1150 I1183 I1220	Y2-F1141 PolarHBondContact O-N 2.96Å; L3-F1141 WeakPolarHBondContact O-CE2 3.45Å; Y4-F1141 AromaticContact CD2-CZ 3.81Å; Y4-F1141 HydrophobicContact CD2-CZ 3.81Å; Y4-F1141 HydrophobicContact CG-CZ 4.03Å; F1141-A1146 HydrophobicContact CD1-CB 4.09Å; F1141-Y1147 AromaticContact CD2-CD2 3.7Å; F1141-Y1147 HydrophobicContact CD2-CD2 3.7Å; F1141-Y1147 HydrophobicContact CD2-CG 4.34Å; F1141-Y1147 AromaticContact CE2-CD2 3.75Å; F1141-Y1147 HydrophobicContact CE2-CD2 3.75Å; F1141-Y1147 HydrophobicContact CG-CD2 4.47Å; F1141-F1150 HydrophobicContact CD1-CD2 4.45Å; F1141-F1150 HydrophobicContact CE1-CB 4.26Å; F1141-F1150 AromaticContact CE1-CD2 3.4Å; F1141-F1150 HydrophobicContact CE1-CD2 3.4Å; F1141-F1150 HydrophobicContact CE1-CE2 4.02Å; F1141-F1150 HydrophobicContact CE1-CG 4.1Å; F1141-F1150 HydrophobicContact CZ-CB 3.96Å; F1141-F1150 AromaticContact CZ-CD2 3.94Å; F1141-F1150 HydrophobicContact CZ-CD2 3.94Å; F1141-F1150 HydrophobicContact CZ-CG 4.18Å; F1141-I1183 HydrophobicContact CE2-CB 4.46Å; F1141-I1183 HydrophobicContact CE2-CD1 3.75Å; F1141-I1183 HydrophobicContact CE2-CG1 4.37Å; F1141-I1183 HydrophobicContact CZ-CD1 3.79Å; F1141-I1220 HydrophobicContact CD1-CD1 4.11Å; F1141-I1220 HydrophobicContact CE1-CD1 3.49Å; F1141-I1220 VanDerWaalsContact CE1-CD1 3.49Å; F1141-I1220 HydrophobicContact CZ-CD1 4.15Å
1142	A	91.4	Very high	95.7	Very high	87 Å²	87	36.8 Å²	36.8	72%	0.719	21%	0.205	S	C	*	.	S	Bend	trans	-75.7	-27.2	178.1	0	0	0	0	0	113.6	P1140	P1140-A1142 PolarHBondContact O-N 2.84Å
1143	S	94.2	Very high	95.7	Very high	58 Å²	58	35.5 Å²	35.5	41%	0.406	20%	0.196	S	C	.	.			trans	-142.6	152.3	-175.2	62.3	0	0	0	0	111.1	A1146 Y1147	S1143-A1146 PolarHBondContact O-N 3.06Å; S1143-A1146 VanDerWaalsContact OG-CB 3.28Å; S1143-A1146 WeakPolarHBondContact OG-CB 3.26Å; S1143-A1146 PolarHBondContact OG-N 2.89Å; S1143-Y1147 PolarHBondContact O-N 2.88Å
1144	R	93.5	Very high	95.8	Very high	110 Å²	110	36 Å²	36	42%	0.415	20%	0.198	S	C	.	.	H	α-helix	trans	-63.2	-40.9	175.8	-177.8	62.2	-167.9	-172.8	4.8	112.4	Y2 A1146 Y1147 D1148	Y2-R1144 VanDerWaalsContact CE2-NH1 3.31Å; Y2-R1144 PolarHBondContact OH-NH1 3.48Å; R1144-A1146 VanDerWaalsContact C-N 3.32Å; R1144-A1146 PolarHBondContact O-N 3.13Å; R1144-Y1147 VanDerWaalsContact CZ-CD1 3.49Å; R1144-Y1147 VanDerWaalsContact NH1-CE1 3.28Å; R1144-Y1147 WeakPolarHBondContact O-CA 3.42Å; R1144-Y1147 WeakPolarHBondContact O-CB 3.39Å; R1144-Y1147 PolarHBondContact O-N 2.77Å; R1144-D1148 WeakPolarHBondContact CG-OD2 3.31Å; R1144-D1148 IonicContact CZ-OD1 2.78Å; R1144-D1148 IonicContact CZ-OD2 3.57Å; R1144-D1148 IonicContact NE-OD1 2.83Å; R1144-D1148 PolarHBondContact NE-OD1 3.31Å; R1144-D1148 IonicContact NE-OD2 3.92Å; R1144-D1148 PolarHBondContact NE-OD2 3.28Å; R1144-D1148 VanDerWaalsContact NE-OD2 3.09Å; R1144-D1148 IonicContact NH2-OD1 3.73Å; R1144-D1148 PolarHBondContact NH2-OD1 2.87Å; R1144-D1148 IonicContact NH2-OD2 3.49Å; R1144-D1148 PolarHBondContact O-N 3.17Å
1145	D	94.3	Very high	95.8	Very high	130 Å²	130	40.1 Å²	40.1	70%	0.695	22%	0.22	S	C	*	.	H	α-helix	trans	-60	-40.9	179.6	-57.2	-11.3	0	0	0	112.7	D1148 F1149	D1145-D1148 PolarHBondContact O-N 3.17Å; D1145-F1149 WeakPolarHBondContact O-CB 3.49Å; D1145-F1149 PolarHBondContact O-N 3.34Å
1146	A	93.7	Very high	95.7	Very high	29 Å²	29	42.1 Å²	42.1	24%	0.24	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-46.8	173.8	0	0	0	0	0	110.9	F1141 S1143 R1144 F1149 F1150	F1141-A1146 HydrophobicContact CD1-CB 4.09Å; S1143-A1146 PolarHBondContact O-N 3.06Å; S1143-A1146 VanDerWaalsContact OG-CB 3.28Å; S1143-A1146 WeakPolarHBondContact OG-CB 3.26Å; S1143-A1146 PolarHBondContact OG-N 2.89Å; R1144-A1146 VanDerWaalsContact C-N 3.32Å; R1144-A1146 PolarHBondContact O-N 3.13Å; A1146-F1149 WeakPolarHBondContact O-CB 3.4Å; A1146-F1149 PolarHBondContact O-N 2.79Å; A1146-F1150 WeakPolarHBondContact O-CD2 3.24Å; A1146-F1150 PolarHBondContact O-N 3.2Å; A1146-F1150 VanDerWaalsContact O-N 3.07Å
1147	Y	95.6	Very high	95.6	Very high	16 Å²	16	42.1 Å²	42.1	6%	0.063	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-48.9	176.9	168.1	-94.2	0	0	0	112.1	Y2 F1141 S1143 R1144 F1149 F1150 Q1151 I1183	Y2-Y1147 VanDerWaalsContact CB-CD2 3.41Å; Y2-Y1147 HydrophobicContact CD1-CD1 4.35Å; Y2-Y1147 AromaticContact CD1-CD2 3.83Å; Y2-Y1147 HydrophobicContact CD1-CD2 3.83Å; Y2-Y1147 HydrophobicContact CD1-CE1 4.03Å; Y2-Y1147 AromaticContact CD1-CE2 3.4Å; Y2-Y1147 HydrophobicContact CD1-CE2 3.4Å; Y2-Y1147 VanDerWaalsContact CD1-CE2 3.4Å; Y2-Y1147 HydrophobicContact CD1-CG 4.26Å; Y2-Y1147 AromaticContact CD1-CZ 3.52Å; Y2-Y1147 HydrophobicContact CD2-CD2 4.43Å; Y2-Y1147 HydrophobicContact CD2-CG 4.28Å; Y2-Y1147 HydrophobicContact CE1-CE1 4.1Å; Y2-Y1147 HydrophobicContact CE1-CE2 4.23Å; Y2-Y1147 AromaticContact CE1-CZ 3.88Å; Y2-Y1147 HydrophobicContact CG-CD1 4.33Å; Y2-Y1147 AromaticContact CG-CD2 3.64Å; Y2-Y1147 HydrophobicContact CG-CD2 3.64Å; Y2-Y1147 HydrophobicContact CG-CE1 4.45Å; Y2-Y1147 AromaticContact CG-CE2 3.74Å; Y2-Y1147 HydrophobicContact CG-CE2 3.74Å; Y2-Y1147 AromaticContact CG-CG 3.93Å; Y2-Y1147 HydrophobicContact CG-CG 3.93Å; F1141-Y1147 AromaticContact CD2-CD2 3.7Å; F1141-Y1147 HydrophobicContact CD2-CD2 3.7Å; F1141-Y1147 HydrophobicContact CD2-CG 4.34Å; F1141-Y1147 AromaticContact CE2-CD2 3.75Å; F1141-Y1147 HydrophobicContact CE2-CD2 3.75Å; F1141-Y1147 HydrophobicContact CG-CD2 4.47Å; S1143-Y1147 PolarHBondContact O-N 2.88Å; R1144-Y1147 VanDerWaalsContact CZ-CD1 3.49Å; R1144-Y1147 VanDerWaalsContact NH1-CE1 3.28Å; R1144-Y1147 WeakPolarHBondContact O-CA 3.42Å; R1144-Y1147 WeakPolarHBondContact O-CB 3.39Å; R1144-Y1147 PolarHBondContact O-N 2.77Å; Y1147-F1149 VanDerWaalsContact C-N 3.3Å; Y1147-F1149 PolarHBondContact O-N 2.96Å; Y1147-F1150 PolarHBondContact O-N 3.13Å; Y1147-Q1151 HydrophobicContact CE1-CB 4.5Å; Y1147-Q1151 WeakPolarHBondContact O-CB 3.16Å; Y1147-Q1151 PolarHBondContact O-N 2.88Å; Y1147-Q1151 PolarHBondContact OH-OE1 2.86Å; Y1147-I1183 HydrophobicContact CD2-CD1 3.57Å; Y1147-I1183 HydrophobicContact CD2-CG1 4.35Å; Y1147-I1183 HydrophobicContact CE2-CD1 3.64Å; Y1147-I1183 HydrophobicContact CE2-CG1 3.99Å; Y1147-I1183 HydrophobicContact CG-CD1 4.43Å; Y1147-I1183 WeakPolarHBondContact O-CD1 3.44Å
1148	D	96.1	Very high	95.5	Very high	45 Å²	45	45.1 Å²	45.1	24%	0.241	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-38.3	-179.3	-69.3	-30.6	0	0	0	111.2	R1144 D1145 Q1151 H1152	R1144-D1148 WeakPolarHBondContact CG-OD2 3.31Å; R1144-D1148 IonicContact CZ-OD1 2.78Å; R1144-D1148 IonicContact CZ-OD2 3.57Å; R1144-D1148 IonicContact NE-OD1 2.83Å; R1144-D1148 PolarHBondContact NE-OD1 3.31Å; R1144-D1148 IonicContact NE-OD2 3.92Å; R1144-D1148 PolarHBondContact NE-OD2 3.28Å; R1144-D1148 VanDerWaalsContact NE-OD2 3.09Å; R1144-D1148 IonicContact NH2-OD1 3.73Å; R1144-D1148 PolarHBondContact NH2-OD1 2.87Å; R1144-D1148 IonicContact NH2-OD2 3.49Å; R1144-D1148 PolarHBondContact O-N 3.17Å; D1145-D1148 PolarHBondContact O-N 3.17Å; D1148-Q1151 PolarHBondContact O-N 2.84Å; D1148-H1152 PolarHBondContact O-N 3.23Å
1149	F	96.7	Very high	95.3	Very high	18 Å²	18	49.2 Å²	49.2	8%	0.079	27%	0.274	C	S	.	.	H	α-helix	trans	-58.6	-52.5	172.9	169.1	-93.8	0	0	0	112.5	D1145 A1146 Y1147 Q1151 H1152 L1153 M1206 K1208 I1213 R1216	D1145-F1149 WeakPolarHBondContact O-CB 3.49Å; D1145-F1149 PolarHBondContact O-N 3.34Å; A1146-F1149 WeakPolarHBondContact O-CB 3.4Å; A1146-F1149 PolarHBondContact O-N 2.79Å; Y1147-F1149 VanDerWaalsContact C-N 3.3Å; Y1147-F1149 PolarHBondContact O-N 2.96Å; F1149-Q1151 VanDerWaalsContact C-N 3.28Å; F1149-Q1151 PolarHBondContact O-N 3.24Å; F1149-H1152 PolarHBondContact O-N 2.81Å; F1149-L1153 PolarHBondContact O-N 3.11Å; F1149-M1206 HydrophobicContact CD2-CE 3.55Å; F1149-M1206 HydrophobicContact CE2-CE 3.36Å; F1149-M1206 HydrophobicContact CG-CE 4.31Å; F1149-M1206 HydrophobicContact CZ-CE 3.97Å; F1149-M1206 WeakPolarHBondContact O-CE 3.3Å; F1149-K1208 HydrophobicContact CE2-CG 4.39Å; F1149-I1213 HydrophobicContact CE2-CG1 4.42Å; F1149-I1213 HydrophobicContact CZ-CB 4.49Å; F1149-I1213 HydrophobicContact CZ-CG1 4.13Å; F1149-I1213 HydrophobicContact CZ-CG2 4.35Å; F1149-R1216 HydrophobicContact CE1-CB 3.73Å; F1149-R1216 VanDerWaalsContact CE1-CD 3.48Å; F1149-R1216 HydrophobicContact CE1-CG 4.27Å; F1149-R1216 HydrophobicContact CZ-CB 4.11Å; F1149-R1216 HydrophobicContact CZ-CG 4.36Å
1150	F	97	Very high	95	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.035	29%	0.289	C	S	.	.	H	α-helix	trans	-69.6	-29	-179.3	-77.3	-74.5	0	0	0	112.2	Y4 F1141 A1146 Y1147 L1153 E1154 I1183 R1216 L1217 I1220	Y4-F1150 AromaticContact CE2-CD1 3.93Å; Y4-F1150 HydrophobicContact CE2-CD1 3.93Å; Y4-F1150 HydrophobicContact CE2-CE1 4.37Å; Y4-F1150 HydrophobicContact CE2-CG 4.36Å; F1141-F1150 HydrophobicContact CD1-CD2 4.45Å; F1141-F1150 HydrophobicContact CE1-CB 4.26Å; F1141-F1150 AromaticContact CE1-CD2 3.4Å; F1141-F1150 HydrophobicContact CE1-CD2 3.4Å; F1141-F1150 HydrophobicContact CE1-CE2 4.02Å; F1141-F1150 HydrophobicContact CE1-CG 4.1Å; F1141-F1150 HydrophobicContact CZ-CB 3.96Å; F1141-F1150 AromaticContact CZ-CD2 3.94Å; F1141-F1150 HydrophobicContact CZ-CD2 3.94Å; F1141-F1150 HydrophobicContact CZ-CG 4.18Å; A1146-F1150 WeakPolarHBondContact O-CD2 3.24Å; A1146-F1150 PolarHBondContact O-N 3.2Å; A1146-F1150 VanDerWaalsContact O-N 3.07Å; Y1147-F1150 PolarHBondContact O-N 3.13Å; F1150-L1153 HydrophobicContact CD1-CD2 4.29Å; F1150-L1153 PolarHBondContact O-N 3.22Å; F1150-E1154 WeakPolarHBondContact O-CB 3.38Å; F1150-E1154 PolarHBondContact O-N 2.87Å; F1150-I1183 HydrophobicContact CB-CD1 3.71Å; F1150-I1183 HydrophobicContact CB-CG2 4.24Å; F1150-R1216 HydrophobicContact CZ-CB 4.19Å; F1150-R1216 WeakPolarHBondContact CZ-O 3.42Å; F1150-L1217 HydrophobicContact CD1-CD2 4.36Å; F1150-L1217 HydrophobicContact CE1-CD2 3.71Å; F1150-L1217 HydrophobicContact CE1-CG 4.28Å; F1150-I1220 HydrophobicContact CD2-CD1 4.33Å; F1150-I1220 HydrophobicContact CE1-CG2 4.15Å; F1150-I1220 HydrophobicContact CE2-CB 4.36Å; F1150-I1220 HydrophobicContact CE2-CD1 3.85Å; F1150-I1220 HydrophobicContact CE2-CG2 4.36Å; F1150-I1220 HydrophobicContact CZ-CB 4.05Å; F1150-I1220 HydrophobicContact CZ-CD1 4.17Å; F1150-I1220 HydrophobicContact CZ-CG2 3.64Å
1151	Q	96.7	Very high	94.4	Very high	61 Å²	61	52.1 Å²	52.1	29%	0.285	29%	0.294	S	S	.	.	H	α-helix	trans	-65.6	-44.9	174.9	-174	176.4	13	0	0	110.6	Y1147 D1148 F1149 E1154 L1155 I1183	Y1147-Q1151 HydrophobicContact CE1-CB 4.5Å; Y1147-Q1151 WeakPolarHBondContact O-CB 3.16Å; Y1147-Q1151 PolarHBondContact O-N 2.88Å; Y1147-Q1151 PolarHBondContact OH-OE1 2.86Å; D1148-Q1151 PolarHBondContact O-N 2.84Å; F1149-Q1151 VanDerWaalsContact C-N 3.28Å; F1149-Q1151 PolarHBondContact O-N 3.24Å; Q1151-E1154 PolarHBondContact O-N 2.8Å; Q1151-L1155 WeakPolarHBondContact O-CG 3.38Å; Q1151-L1155 PolarHBondContact O-N 3.11Å; Q1151-L1155 VanDerWaalsContact O-N 3.08Å; Q1151-I1183 HydrophobicContact CB-CD1 3.96Å
1152	H	96.2	Very high	94	Very high	102 Å²	102	52.5 Å²	52.5	47%	0.472	30%	0.297	S	S	.	.	H	α-helix	trans	-62.7	-46.2	174.5	-67	165.6	0	0	0	111.3	D1148 F1149 E1154 L1155 H1156 M1206	D1148-H1152 PolarHBondContact O-N 3.23Å; F1149-H1152 PolarHBondContact O-N 2.81Å; H1152-E1154 VanDerWaalsContact C-N 3.32Å; H1152-E1154 PolarHBondContact O-N 3.38Å; H1152-L1155 WeakPolarHBondContact O-CB 3.44Å; H1152-L1155 PolarHBondContact O-N 3.14Å; H1152-L1155 VanDerWaalsContact O-N 3.07Å; H1152-H1156 PolarHBondContact O-CD2 3.18Å; H1152-H1156 PolarHBondContact O-N 3.02Å; H1152-M1206 HydrophobicContact CB-CE 4.28Å
1153	L	96.7	Very high	94	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-55.2	-48.4	175.9	-179.6	61.3	0	0	0	111.4	F1149 F1150 L1155 H1156 M1157 C1188 F1191 I1202 M1206 I1213 L1217	F1149-L1153 PolarHBondContact O-N 3.11Å; F1150-L1153 HydrophobicContact CD1-CD2 4.29Å; F1150-L1153 PolarHBondContact O-N 3.22Å; L1153-L1155 VanDerWaalsContact C-N 3.28Å; L1153-L1155 PolarHBondContact O-N 2.88Å; L1153-H1156 PolarHBondContact O-N 2.95Å; L1153-M1157 HydrophobicContact CD1-CG 4.09Å; L1153-M1157 HydrophobicContact CG-CG 4.25Å; L1153-M1157 WeakPolarHBondContact O-CB 3.02Å; L1153-M1157 WeakPolarHBondContact O-CG 3.47Å; L1153-M1157 PolarHBondContact O-N 3.26Å; L1153-C1188 HydrophobicContact CD2-CB 4.02Å; L1153-F1191 HydrophobicContact CD1-CD2 4.21Å; L1153-I1202 HydrophobicContact CD1-CG2 4.18Å; L1153-M1206 HydrophobicContact CB-CE 3.9Å; L1153-M1206 HydrophobicContact CB-SD 4.03Å; L1153-M1206 HydrophobicContact CD1-SD 3.85Å; L1153-I1213 HydrophobicContact CD1-CG2 4.05Å; L1153-I1213 HydrophobicContact CD2-CG2 3.97Å; L1153-L1217 HydrophobicContact CD2-CD1 4.34Å; L1153-L1217 HydrophobicContact CD2-CD2 4.05Å; L1153-L1217 HydrophobicContact CD2-CG 4.35Å
1154	E	96.5	Very high	93.9	Very high	9 Å²	9	46.9 Å²	46.9	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-58.7	-39.1	177.9	-166.9	-169.4	-158.4	0	0	112.2	F1150 Q1151 H1152 M1157 R1158 H1169 I1183 D1184 L1187	F1150-E1154 WeakPolarHBondContact O-CB 3.38Å; F1150-E1154 PolarHBondContact O-N 2.87Å; Q1151-E1154 PolarHBondContact O-N 2.8Å; H1152-E1154 VanDerWaalsContact C-N 3.32Å; H1152-E1154 PolarHBondContact O-N 3.38Å; E1154-M1157 PolarHBondContact O-N 3.36Å; E1154-R1158 VanDerWaalsContact CD-CZ 3.43Å; E1154-R1158 WeakPolarHBondContact O-CB 3.45Å; E1154-R1158 WeakPolarHBondContact O-CG 3.31Å; E1154-R1158 PolarHBondContact O-N 3Å; E1154-R1158 IonicContact OE1-CZ 3.48Å; E1154-R1158 IonicContact OE1-NE 3.69Å; E1154-R1158 IonicContact OE1-NH2 3.31Å; E1154-R1158 PolarHBondContact OE1-NH2 2.93Å; E1154-R1158 IonicContact OE2-CZ 2.69Å; E1154-R1158 IonicContact OE2-NE 2.72Å; E1154-R1158 IonicContact OE2-NH2 2.88Å; E1154-R1158 PolarHBondContact OE2-NH2 3.16Å; E1154-H1169 IonicContact OE1-CE1 2.8Å; E1154-H1169 PolarHBondContact OE1-CE1 3.09Å; E1154-I1183 HydrophobicContact CB-CG2 4.08Å; E1154-I1183 HydrophobicContact CG-CG2 4.33Å; E1154-D1184 PolarHBondContact OE1-N 3.32Å; E1154-D1184 VanDerWaalsContact OE1-N 3.09Å; E1154-L1187 HydrophobicContact CG-CD2 4.15Å
1155	L	95.8	Very high	93.9	Very high	89 Å²	89	41.6 Å²	41.6	47%	0.466	23%	0.232	S	C	.	.	H	α-helix	trans	-64.2	-45.5	176.9	-70.9	169	0	0	0	112.3	Q1151 H1152 L1153 R1158 A1159	Q1151-L1155 WeakPolarHBondContact O-CG 3.38Å; Q1151-L1155 PolarHBondContact O-N 3.11Å; Q1151-L1155 VanDerWaalsContact O-N 3.08Å; H1152-L1155 WeakPolarHBondContact O-CB 3.44Å; H1152-L1155 PolarHBondContact O-N 3.14Å; H1152-L1155 VanDerWaalsContact O-N 3.07Å; L1153-L1155 VanDerWaalsContact C-N 3.28Å; L1153-L1155 PolarHBondContact O-N 2.88Å; L1155-R1158 PolarHBondContact O-N 2.91Å; L1155-A1159 PolarHBondContact O-N 2.85Å; L1155-A1159 VanDerWaalsContact O-N 3.07Å
1156	H	95.4	Very high	93.8	Very high	45 Å²	45	35.7 Å²	35.7	21%	0.208	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-44.4	175.2	-67.4	-75.2	0	0	0	111.1	H1152 L1153 R1158 A1159 E1160 I1202 E1205	H1152-H1156 PolarHBondContact O-CD2 3.18Å; H1152-H1156 PolarHBondContact O-N 3.02Å; L1153-H1156 PolarHBondContact O-N 2.95Å; H1156-R1158 VanDerWaalsContact C-N 3.27Å; H1156-R1158 PolarHBondContact O-N 2.84Å; H1156-A1159 WeakPolarHBondContact O-CB 3.44Å; H1156-A1159 PolarHBondContact O-N 2.81Å; H1156-A1159 VanDerWaalsContact O-N 3.08Å; H1156-E1160 PolarHBondContact O-N 3.49Å; H1156-I1202 HydrophobicContact CB-CG1 4.43Å; H1156-I1202 HydrophobicContact CB-CG2 3.89Å; H1156-E1205 IonicContact CE1-OE2 2.75Å; H1156-E1205 PolarHBondContact CE1-OE2 2.79Å; H1156-E1205 IonicContact CG-OE2 3.73Å; H1156-E1205 IonicContact ND1-OE2 2.68Å; H1156-E1205 PolarHBondContact ND1-OE2 3.08Å
1157	M	95.1	Very high	93.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.7	-33.1	177.7	-66.5	-61.3	-72.2	0	0	112.8	L1153 E1154 L1162 L1187 I1190 F1191 L1194 I1202	L1153-M1157 HydrophobicContact CD1-CG 4.09Å; L1153-M1157 HydrophobicContact CG-CG 4.25Å; L1153-M1157 WeakPolarHBondContact O-CB 3.02Å; L1153-M1157 WeakPolarHBondContact O-CG 3.47Å; L1153-M1157 PolarHBondContact O-N 3.26Å; E1154-M1157 PolarHBondContact O-N 3.36Å; M1157-L1162 HydrophobicContact CE-CD1 3.4Å; M1157-L1162 VanDerWaalsContact CE-CD1 3.4Å; M1157-L1162 HydrophobicContact SD-CD1 4.37Å; M1157-L1187 HydrophobicContact CB-CD1 4.35Å; M1157-L1187 HydrophobicContact CB-CD2 4.11Å; M1157-L1187 HydrophobicContact CB-CG 3.91Å; M1157-L1187 VanDerWaalsContact CE-O 3.29Å; M1157-L1187 WeakPolarHBondContact CE-O 3.2Å; M1157-I1190 HydrophobicContact CE-CB 3.98Å; M1157-I1190 HydrophobicContact CE-CG2 4.23Å; M1157-F1191 HydrophobicContact CE-CB 4Å; M1157-F1191 HydrophobicContact SD-CB 4.06Å; M1157-F1191 HydrophobicContact SD-CD2 4.11Å; M1157-L1194 HydrophobicContact CE-CD1 3.91Å; M1157-L1194 HydrophobicContact CE-CG 4.41Å; M1157-L1194 HydrophobicContact SD-CD1 3.81Å; M1157-I1202 HydrophobicContact SD-CD1 3.95Å
1158	R	94.6	Very high	93.8	Very high	63 Å²	63	38.7 Å²	38.7	24%	0.238	21%	0.21	C	C	.	.	H	α-helix	trans	-69.1	-39.3	172.9	-73.6	169.2	-176.8	-173.9	0.4	112	E1154 L1155 H1156 E1160 G1161 H1169 L1187	E1154-R1158 VanDerWaalsContact CD-CZ 3.43Å; E1154-R1158 WeakPolarHBondContact O-CB 3.45Å; E1154-R1158 WeakPolarHBondContact O-CG 3.31Å; E1154-R1158 PolarHBondContact O-N 3Å; E1154-R1158 IonicContact OE1-CZ 3.48Å; E1154-R1158 IonicContact OE1-NE 3.69Å; E1154-R1158 IonicContact OE1-NH2 3.31Å; E1154-R1158 PolarHBondContact OE1-NH2 2.93Å; E1154-R1158 IonicContact OE2-CZ 2.69Å; E1154-R1158 IonicContact OE2-NE 2.72Å; E1154-R1158 IonicContact OE2-NH2 2.88Å; E1154-R1158 PolarHBondContact OE2-NH2 3.16Å; L1155-R1158 PolarHBondContact O-N 2.91Å; H1156-R1158 VanDerWaalsContact C-N 3.27Å; H1156-R1158 PolarHBondContact O-N 2.84Å; R1158-E1160 PolarHBondContact O-N 2.69Å; R1158-G1161 PolarHBondContact O-N 3.25Å; R1158-G1161 VanDerWaalsContact O-N 3.13Å; R1158-H1169 HydrophobicContact CG-CB 4.24Å; R1158-H1169 PolarHBondContact NE-ND1 2.8Å; R1158-L1187 HydrophobicContact CG-CD2 3.58Å
1159	A	93.1	Very high	93.8	Very high	87 Å²	87	37.2 Å²	37.2	72%	0.719	20%	0.202	S	C	*	.	H	α-helix	trans	-63	-31.5	180	0	0	0	0	0	112.4	L1155 H1156 G1161	L1155-A1159 PolarHBondContact O-N 2.85Å; L1155-A1159 VanDerWaalsContact O-N 3.07Å; H1156-A1159 WeakPolarHBondContact O-CB 3.44Å; H1156-A1159 PolarHBondContact O-N 2.81Å; H1156-A1159 VanDerWaalsContact O-N 3.08Å; A1159-G1161 PolarHBondContact O-N 3.1Å
1160	E	89.4	Confident	93.7	Very high	68 Å²	68	39.1 Å²	39.1	32%	0.318	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.9	174.8	-73.4	-61.8	130.5	0	0	114.5	H1156 R1158 L1162 K1198 I1202	H1156-E1160 PolarHBondContact O-N 3.49Å; R1158-E1160 PolarHBondContact O-N 2.69Å; E1160-L1162 HydrophobicContact CB-CD1 4.38Å; E1160-L1162 HydrophobicContact CB-CD2 3.81Å; E1160-L1162 HydrophobicContact CB-CG 3.83Å; E1160-K1198 WeakPolarHBondContact OE2-CD 3.35Å; E1160-K1198 WeakPolarHBondContact OE2-CE 3.01Å; E1160-K1198 IonicContact OE2-NZ 3.16Å; E1160-K1198 PolarHBondContact OE2-NZ 2.65Å; E1160-I1202 HydrophobicContact CG-CD1 4.1Å
1161	G	84.8	Confident	93.6	Very high	40 Å²	40	43.3 Å²	43.3	41%	0.412	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	40.7	174.9	0	0	0	0	0	114.3	K101 R1158 A1159 S1163	K101-G1161 PolarHBondContact NZ-O 2.75Å; R1158-G1161 PolarHBondContact O-N 3.25Å; R1158-G1161 VanDerWaalsContact O-N 3.13Å; A1159-G1161 PolarHBondContact O-N 3.1Å; G1161-S1163 VanDerWaalsContact C-N 3.26Å; G1161-S1163 PolarHBondContact O-N 2.77Å
1162	L	87.3	Confident	93.6	Very high	37 Å²	37	40.5 Å²	40.5	19%	0.194	22%	0.221	C	C	.	.			trans	-69.9	-10.4	-169.6	-59.5	175.8	0	0	0	115.7	M1157 E1160 L1164 L1187 I1190 L1194	M1157-L1162 HydrophobicContact CE-CD1 3.4Å; M1157-L1162 VanDerWaalsContact CE-CD1 3.4Å; M1157-L1162 HydrophobicContact SD-CD1 4.37Å; E1160-L1162 HydrophobicContact CB-CD1 4.38Å; E1160-L1162 HydrophobicContact CB-CD2 3.81Å; E1160-L1162 HydrophobicContact CB-CG 3.83Å; L1162-L1164 PolarHBondContact O-N 2.66Å; L1162-L1187 HydrophobicContact CB-CD1 4.45Å; L1162-L1187 HydrophobicContact CD1-CD1 4.12Å; L1162-I1190 HydrophobicContact CD1-CG2 3.96Å; L1162-L1194 HydrophobicContact CD1-CD2 4.15Å; L1162-L1194 HydrophobicContact CD2-CD2 3.64Å
1163	S	91.7	Very high	93.7	Very high	9 Å²	9	35.7 Å²	35.7	6%	0.063	20%	0.199	C	C	.	.			trans	-60.5	123.5	175.8	173.2	0	0	0	0	110.7	A58 K101 G1161 V1165 G1166 R1167	A58-S1163 WeakPolarHBondContact O-CB 3.17Å; A58-S1163 PolarHBondContact O-OG 3.12Å; K101-S1163 PolarHBondContact NZ-O 2.94Å; G1161-S1163 VanDerWaalsContact C-N 3.26Å; G1161-S1163 PolarHBondContact O-N 2.77Å; S1163-V1165 VanDerWaalsContact C-N 3.25Å; S1163-V1165 PolarHBondContact O-N 2.95Å; S1163-V1165 PolarHBondContact OG-N 3.07Å; S1163-G1166 PolarHBondContact O-N 3.17Å; S1163-G1166 PolarHBondContact OG-N 2.61Å; S1163-R1167 WeakPolarHBondContact CB-O 3.36Å; S1163-R1167 PolarHBondContact OG-N 3.19Å; S1163-R1167 PolarHBondContact OG-O 2.95Å
1164	L	90.8	Very high	93.7	Very high	18 Å²	18	37.1 Å²	37.1	9%	0.094	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.6	176.2	-72.7	-177.3	0	0	0	112.8	C56 V88 L90 F99 K101 L1162	C56-L1164 HydrophobicContact CB-CD1 3.31Å; C56-L1164 HydrophobicContact CB-CG 4.4Å; V88-L1164 WeakPolarHBondContact CG1-O 2.98Å; L90-L1164 HydrophobicContact CD2-CD2 4.48Å; F99-L1164 HydrophobicContact CB-CD1 4.36Å; F99-L1164 HydrophobicContact CB-CD2 4.26Å; F99-L1164 HydrophobicContact CD2-CD1 4.49Å; K101-L1164 WeakPolarHBondContact CD-O 3.27Å; K101-L1164 HydrophobicContact CG-CD2 4.45Å; L1162-L1164 PolarHBondContact O-N 2.66Å
1165	V	93.8	Very high	93.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	7.2	-177.7	-60.5	0	0	0	0	113.2	I38 A58 V62 V80 S84 S1163 R1167	I38-V1165 HydrophobicContact CD1-CG1 4.35Å; A58-V1165 HydrophobicContact CB-CG1 3.99Å; A58-V1165 HydrophobicContact CB-CG2 4.21Å; V62-V1165 HydrophobicContact CG2-CG1 4.37Å; V80-V1165 HydrophobicContact CG1-CG1 3.71Å; S84-V1165 VanDerWaalsContact CB-O 3.24Å; S84-V1165 WeakPolarHBondContact CB-O 3.18Å; S84-V1165 PolarHBondContact OG-O 2.6Å; S1163-V1165 VanDerWaalsContact C-N 3.25Å; S1163-V1165 PolarHBondContact O-N 2.95Å; S1163-V1165 PolarHBondContact OG-N 3.07Å; V1165-R1167 VanDerWaalsContact C-N 3.27Å; V1165-R1167 HydrophobicContact CG2-CB 3.97Å; V1165-R1167 PolarHBondContact O-N 2.98Å
1166	G	92.4	Very high	93.6	Very high	6 Å²	6	38.9 Å²	38.9	6%	0.062	22%	0.215	C	C	.	.			trans	71.2	18.4	-179.5	0	0	0	0	0	114	R86 S1163	R86-G1166 PolarHBondContact NH1-O 3.49Å; S1163-G1166 PolarHBondContact O-N 3.17Å; S1163-G1166 PolarHBondContact OG-N 2.61Å
1167	R	95.5	Very high	93.6	Very high	11 Å²	11	39.7 Å²	39.7	4%	0.042	22%	0.217	C	C	.	.			trans	-78.9	130	175.4	-168.4	69	158.1	115.4	-10.3	109.5	F59 D83 S110 S1163 V1165 H1169	F59-R1167 VanDerWaalsContact O-CB 3.31Å; F59-R1167 WeakPolarHBondContact O-CB 3.22Å; F59-R1167 VanDerWaalsContact O-CG 3.25Å; F59-R1167 WeakPolarHBondContact O-CG 3.42Å; D83-R1167 VanDerWaalsContact CG-NE 3.34Å; D83-R1167 IonicContact OD1-NE 3.29Å; D83-R1167 PolarHBondContact OD1-NE 2.95Å; D83-R1167 IonicContact OD2-CZ 2.66Å; D83-R1167 VanDerWaalsContact OD2-CZ 3.25Å; D83-R1167 IonicContact OD2-NE 2.97Å; D83-R1167 PolarHBondContact OD2-NE 3.32Å; D83-R1167 IonicContact OD2-NH2 2.98Å; D83-R1167 PolarHBondContact OD2-NH2 3.3Å; S110-R1167 VanDerWaalsContact CB-CZ 3.48Å; S110-R1167 PolarHBondContact OG-NH1 2.97Å; S1163-R1167 WeakPolarHBondContact CB-O 3.36Å; S1163-R1167 PolarHBondContact OG-N 3.19Å; S1163-R1167 PolarHBondContact OG-O 2.95Å; V1165-R1167 VanDerWaalsContact C-N 3.27Å; V1165-R1167 HydrophobicContact CG2-CB 3.97Å; V1165-R1167 PolarHBondContact O-N 2.98Å; R1167-H1169 PolarHBondContact O-N 3.3Å
1168	E	94.4	Very high	93.7	Very high	96 Å²	96	44.5 Å²	44.5	45%	0.449	25%	0.248	S	C	.	.			trans	-69.6	120.2	172.4	-71.2	177.8	-157.9	0	0	110.2	V1170 H1171 Y1172	E1168-V1170 VanDerWaalsContact C-N 3.33Å; E1168-V1170 PolarHBondContact O-N 3.1Å; E1168-H1171 HydrophobicContact CB-CB 4.27Å; E1168-H1171 WeakPolarHBondContact O-CB 3.34Å; E1168-H1171 PolarHBondContact O-N 2.88Å; E1168-H1171 IonicContact OE2-CE1 2.66Å; E1168-H1171 PolarHBondContact OE2-CE1 2.9Å; E1168-H1171 IonicContact OE2-ND1 2.63Å; E1168-H1171 PolarHBondContact OE2-ND1 3.25Å; E1168-Y1172 PolarHBondContact O-N 2.86Å
1169	H	95.9	Very high	93.8	Very high	15 Å²	15	43.1 Å²	43.1	7%	0.069	25%	0.246	C	C	.	.	H	α-helix	trans	-55.4	-43.7	-172.9	173.1	-92.8	0	0	0	113.4	F59 E1154 R1158 R1167 H1171 Y1172 R1173 D1184	F59-H1169 AromaticContact CD1-CD2 3.67Å; F59-H1169 AromaticContact CG-CD2 3.95Å; E1154-H1169 IonicContact OE1-CE1 2.8Å; E1154-H1169 PolarHBondContact OE1-CE1 3.09Å; R1158-H1169 HydrophobicContact CG-CB 4.24Å; R1158-H1169 PolarHBondContact NE-ND1 2.8Å; R1167-H1169 PolarHBondContact O-N 3.3Å; H1169-H1171 VanDerWaalsContact C-N 3.31Å; H1169-H1171 PolarHBondContact O-N 3.01Å; H1169-Y1172 WeakPolarHBondContact O-CB 3.46Å; H1169-Y1172 PolarHBondContact O-N 2.85Å; H1169-R1173 PolarHBondContact O-N 3.03Å; H1169-D1184 IonicContact CD2-OD2 3.12Å; H1169-D1184 IonicContact CE1-OD2 2.73Å; H1169-D1184 IonicContact NE2-OD2 2.61Å; H1169-D1184 PolarHBondContact NE2-OD2 3.34Å
1170	V	95.5	Very high	94	Very high	57 Å²	57	45.1 Å²	45.1	35%	0.345	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-37.2	179.6	67.4	0	0	0	0	112.1	E1168 S1174 V1179	E1168-V1170 VanDerWaalsContact C-N 3.33Å; E1168-V1170 PolarHBondContact O-N 3.1Å; V1170-S1174 WeakPolarHBondContact O-CB 3.33Å; V1170-S1174 PolarHBondContact O-N 2.86Å; V1170-S1174 VanDerWaalsContact O-N 3.11Å; V1170-S1174 PolarHBondContact O-OG 2.81Å; V1170-V1179 HydrophobicContact CG2-CG1 4.35Å
1171	H	95	Very high	94.4	Very high	97 Å²	97	44 Å²	44	45%	0.449	23%	0.231	S	C	.	.	H	α-helix	trans	-71.3	-36.5	176.6	-70.9	129.3	0	0	0	111.6	E1168 H1169 S1174 Q1175	E1168-H1171 HydrophobicContact CB-CB 4.27Å; E1168-H1171 WeakPolarHBondContact O-CB 3.34Å; E1168-H1171 PolarHBondContact O-N 2.88Å; E1168-H1171 IonicContact OE2-CE1 2.66Å; E1168-H1171 PolarHBondContact OE2-CE1 2.9Å; E1168-H1171 IonicContact OE2-ND1 2.63Å; E1168-H1171 PolarHBondContact OE2-ND1 3.25Å; H1169-H1171 VanDerWaalsContact C-N 3.31Å; H1169-H1171 PolarHBondContact O-N 3.01Å; H1171-S1174 CarbonylContact O-C 3.6Å; H1171-S1174 PolarHBondContact O-N 2.94Å; H1171-Q1175 PolarHBondContact O-N 2.82Å
1172	Y	96.3	Very high	95	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-52.5	172.9	174.3	-108.5	0	0	0	111.6	F59 Y1105 G1107 E1168 H1169 S1174 Q1175	F59-Y1172 HydrophobicContact CB-CD1 4.16Å; F59-Y1172 HydrophobicContact CB-CE1 4.49Å; F59-Y1172 WeakPolarHBondContact O-CB 3.45Å; F59-Y1172 WeakPolarHBondContact O-CD2 3.3Å; Y1105-Y1172 HydrophobicContact CD1-CD2 4.3Å; Y1105-Y1172 HydrophobicContact CD1-CE1 4.46Å; Y1105-Y1172 HydrophobicContact CD1-CE2 4.11Å; Y1105-Y1172 WeakPolarHBondContact CD1-O 3.38Å; Y1105-Y1172 AromaticContact CE1-CD2 3.98Å; Y1105-Y1172 HydrophobicContact CE1-CD2 3.98Å; Y1105-Y1172 AromaticContact CE1-CE2 3.56Å; Y1105-Y1172 HydrophobicContact CE1-CE2 3.56Å; Y1105-Y1172 AromaticContact CE1-CZ 3.92Å; G1107-Y1172 WeakPolarHBondContact CA-OH 3.34Å; E1168-Y1172 PolarHBondContact O-N 2.86Å; H1169-Y1172 WeakPolarHBondContact O-CB 3.46Å; H1169-Y1172 PolarHBondContact O-N 2.85Å; Y1172-S1174 PolarHBondContact O-N 2.9Å; Y1172-S1174 VanDerWaalsContact O-N 3.08Å; Y1172-Q1175 WeakPolarHBondContact O-CB 3.34Å; Y1172-Q1175 PolarHBondContact O-N 2.92Å
1173	R	97.3	Very high	95.5	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-66.7	-11.4	177.7	-61.5	-55	-173	-179.3	1	113.8	F1104 Y1105 V1106 H1169 V1179 D1184 D1186	F1104-R1173 HydrophobicContact CE2-CB 4.36Å; F1104-R1173 HydrophobicContact CE2-CG 3.97Å; F1104-R1173 VanDerWaalsContact CZ-CZ 3.44Å; Y1105-R1173 WeakPolarHBondContact CB-O 3.23Å; Y1105-R1173 PolarHBondContact N-O 2.79Å; Y1105-R1173 VanDerWaalsContact O-CD 3.28Å; Y1105-R1173 WeakPolarHBondContact O-CD 2.82Å; Y1105-R1173 PolarHBondContact O-NH1 2.93Å; V1106-R1173 PolarHBondContact O-NH1 2.94Å; V1106-R1173 VanDerWaalsContact O-NH1 3.15Å; H1169-R1173 PolarHBondContact O-N 3.03Å; R1173-V1179 HydrophobicContact CB-CB 4.21Å; R1173-V1179 HydrophobicContact CB-CG2 4.24Å; R1173-D1184 IonicContact CZ-OD1 2.74Å; R1173-D1184 IonicContact CZ-OD2 3.37Å; R1173-D1184 IonicContact NE-OD1 3.72Å; R1173-D1184 IonicContact NE-OD2 3.52Å; R1173-D1184 PolarHBondContact NE-OD2 2.87Å; R1173-D1184 VanDerWaalsContact NH2-CG 3.25Å; R1173-D1184 IonicContact NH2-OD1 2.67Å; R1173-D1184 PolarHBondContact NH2-OD1 2.9Å; R1173-D1184 IonicContact NH2-OD2 3Å; R1173-D1184 PolarHBondContact NH2-OD2 2.9Å; R1173-D1186 IonicContact NH2-OD2 2.67Å; R1173-D1186 PolarHBondContact NH2-OD2 3.14Å
1174	S	97	Very high	95.8	Very high	31 Å²	31	40.4 Å²	40.4	22%	0.217	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	26.9	178.2	-54.4	0	0	0	0	113.6	V1170 H1171 Y1172 H1176 Y1177 V1179	V1170-S1174 WeakPolarHBondContact O-CB 3.33Å; V1170-S1174 PolarHBondContact O-N 2.86Å; V1170-S1174 VanDerWaalsContact O-N 3.11Å; V1170-S1174 PolarHBondContact O-OG 2.81Å; H1171-S1174 CarbonylContact O-C 3.6Å; H1171-S1174 PolarHBondContact O-N 2.94Å; Y1172-S1174 PolarHBondContact O-N 2.9Å; Y1172-S1174 VanDerWaalsContact O-N 3.08Å; S1174-H1176 VanDerWaalsContact C-N 3.32Å; S1174-H1176 PolarHBondContact O-N 2.87Å; S1174-Y1177 CarbonylContact C-O 3.57Å; S1174-Y1177 WeakPolarHBondContact CA-O 3.44Å; S1174-V1179 WeakPolarHBondContact OG-CG1 3.41Å; S1174-V1179 PolarHBondContact OG-N 2.88Å
1175	Q	94.7	Very high	96	Very high	52 Å²	52	39.6 Å²	39.6	24%	0.243	20%	0.198	C	C	.	.	S	Bend	trans	-55.5	-41.8	-169.5	-179.3	65.1	5.9	0	0	114	Y1105 H1171 Y1172	Y1105-Q1175 HydrophobicContact CD1-CB 3.88Å; Y1105-Q1175 HydrophobicContact CD2-CB 3.98Å; Y1105-Q1175 HydrophobicContact CE1-CB 4.01Å; Y1105-Q1175 HydrophobicContact CE1-CG 4.33Å; Y1105-Q1175 HydrophobicContact CE2-CB 4.08Å; Y1105-Q1175 HydrophobicContact CE2-CG 4.16Å; Y1105-Q1175 HydrophobicContact CG-CB 3.85Å; H1171-Q1175 PolarHBondContact O-N 2.82Å; Y1172-Q1175 WeakPolarHBondContact O-CB 3.34Å; Y1172-Q1175 PolarHBondContact O-N 2.92Å
1176	H	94.9	Very high	96	Very high	83 Å²	83	40 Å²	40	38%	0.384	20%	0.2	S	C	.	.	S	Bend	trans	-111.3	-45.8	-178.1	-63.9	-73.4	0	0	0	112.6	F1059 N1061 Y1105 S1174	F1059-H1176 AromaticContact CD1-CE1 3.9Å; N1061-H1176 PolarHBondContact ND2-CD2 2.96Å; Y1105-H1176 AromaticContact CD2-CD2 3.9Å; Y1105-H1176 AromaticContact CE2-CD2 3.85Å; Y1105-H1176 AromaticContact CE2-NE2 3.94Å; S1174-H1176 VanDerWaalsContact C-N 3.32Å; S1174-H1176 PolarHBondContact O-N 2.87Å
1177	Y	96	Very high	96.2	Very high	62 Å²	62	39.9 Å²	39.9	24%	0.243	20%	0.198	C	C	.	.	S	Bend	trans	-129.3	156.6	170.5	-50.3	-96.6	0	0	0	109.6	N1038 P1039 H1103 S1174 V1179	N1038-Y1177 HydrophobicContact CB-CE1 4.14Å; P1039-Y1177 PolarHBondContact O-OH 2.83Å; H1103-Y1177 PolarHBondContact CD2-O 2.93Å; H1103-Y1177 AromaticContact CE1-CD2 3.43Å; H1103-Y1177 VanDerWaalsContact CE1-CD2 3.43Å; H1103-Y1177 WeakPolarHBondContact CE1-CD2 3.49Å; H1103-Y1177 AromaticContact CE1-CG 3.96Å; H1103-Y1177 WeakPolarHBondContact NE2-CB 3.34Å; H1103-Y1177 AromaticContact NE2-CD2 3.86Å; H1103-Y1177 PolarHBondContact NE2-O 2.88Å; S1174-Y1177 CarbonylContact C-O 3.57Å; S1174-Y1177 WeakPolarHBondContact CA-O 3.44Å; Y1177-V1179 PolarHBondContact O-N 2.91Å
1178	P	97.3	Very high	96.2	Very high	101 Å²	101	39.3 Å²	39.3	66%	0.656	20%	0.196	S	C	*	.			trans	-57.9	133.3	178.3	-25.3	35.3	0	0	0	112.4	H1103 R1180	H1103-P1178 PolarHBondContact CD2-O 2.86Å; P1178-R1180 PolarHBondContact O-N 3.29Å
1179	V	96.9	Very high	96.1	Very high	33 Å²	33	35.9 Å²	35.9	20%	0.2	18%	0.18	C	C	.	.			trans	-56.6	133.2	172	66.6	0	0	0	0	109.8	H1103 F1104 V1170 R1173 S1174 Y1177	H1103-V1179 WeakPolarHBondContact O-CA 3.1Å; F1104-V1179 HydrophobicContact CD2-CG2 4.01Å; V1170-V1179 HydrophobicContact CG2-CG1 4.35Å; R1173-V1179 HydrophobicContact CB-CB 4.21Å; R1173-V1179 HydrophobicContact CB-CG2 4.24Å; S1174-V1179 WeakPolarHBondContact OG-CG1 3.41Å; S1174-V1179 PolarHBondContact OG-N 2.88Å; Y1177-V1179 PolarHBondContact O-N 2.91Å
1180	R	97.2	Very high	95.9	Very high	130 Å²	130	36.9 Å²	36.9	49%	0.491	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-140.7	125.2	-176.2	-174.1	177.7	-177.6	172	-0.1	110.9	V1100 C1102 H1103 P1178 V1182	V1100-R1180 PolarHBondContact O-NE 2.71Å; V1100-R1180 PolarHBondContact O-NH1 2.98Å; C1102-R1180 VanDerWaalsContact CA-O 3.25Å; C1102-R1180 WeakPolarHBondContact CA-O 3.31Å; H1103-R1180 HydrophobicContact CB-CB 4.35Å; H1103-R1180 PolarHBondContact N-O 2.88Å; H1103-R1180 VanDerWaalsContact N-O 3.07Å; H1103-R1180 PolarHBondContact O-N 3.1Å; P1178-R1180 PolarHBondContact O-N 3.29Å; R1180-V1182 PolarHBondContact O-N 3.18Å; R1180-V1182 VanDerWaalsContact O-N 3.1Å
1181	N	96.7	Very high	95.8	Very high	44 Å²	44	34.2 Å²	34.2	24%	0.235	17%	0.169	C	C	.	.	S	Bend	trans	54.5	25.8	171.8	-63.1	-27.3	0	0	0	115.1	M1 Y2 L3 L1101	M1-N1181 WeakPolarHBondContact O-CB 3.32Å; Y2-N1181 WeakPolarHBondContact CA-O 3.41Å; Y2-N1181 HydrophobicContact CD1-CB 3.91Å; Y2-N1181 HydrophobicContact CE1-CB 4.35Å; Y2-N1181 VanDerWaalsContact CE1-OD1 3.27Å; Y2-N1181 WeakPolarHBondContact CE1-OD1 3.16Å; L3-N1181 PolarHBondContact N-O 2.79Å; L1101-N1181 PolarHBondContact O-ND2 3.17Å
1182	V	97.8	Very high	95.4	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.055	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.1	172.5	-172.4	0	0	0	0	108	L3 N5 C1102 F1104 L1138 R1180	L3-V1182 HydrophobicContact CB-CG1 4.31Å; L3-V1182 HydrophobicContact CB-CG2 4.13Å; L3-V1182 HydrophobicContact CD1-CG2 4.4Å; L3-V1182 CarbonylContact O-C 3.55Å; L3-V1182 WeakPolarHBondContact O-CA 3.45Å; N5-V1182 HydrophobicContact CB-CG1 4.23Å; C1102-V1182 HydrophobicContact CB-CG2 4Å; F1104-V1182 HydrophobicContact CB-CB 4.08Å; F1104-V1182 HydrophobicContact CB-CG1 4.14Å; F1104-V1182 HydrophobicContact CB-CG2 3.91Å; F1104-V1182 HydrophobicContact CD2-CB 3.83Å; F1104-V1182 HydrophobicContact CD2-CG1 3.59Å; F1104-V1182 HydrophobicContact CE2-CG1 4.04Å; F1104-V1182 HydrophobicContact CG-CB 4.2Å; F1104-V1182 HydrophobicContact CG-CG1 3.86Å; L1138-V1182 HydrophobicContact CD2-CG1 4.01Å; R1180-V1182 PolarHBondContact O-N 3.18Å; R1180-V1182 VanDerWaalsContact O-N 3.1Å
1183	I	97.9	Very high	94.8	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.6	171.3	-66	170.1	0	0	0	107.8	L3 Y4 N5 F1141 Y1147 F1150 Q1151 E1154 G1185	L3-I1183 PolarHBondContact O-N 3.4Å; Y4-I1183 WeakPolarHBondContact CA-O 3.36Å; Y4-I1183 HydrophobicContact CD2-CB 4.01Å; Y4-I1183 HydrophobicContact CD2-CG2 3.83Å; Y4-I1183 HydrophobicContact CE2-CG2 3.97Å; N5-I1183 PolarHBondContact N-O 3.44Å; F1141-I1183 HydrophobicContact CE2-CB 4.46Å; F1141-I1183 HydrophobicContact CE2-CD1 3.75Å; F1141-I1183 HydrophobicContact CE2-CG1 4.37Å; F1141-I1183 HydrophobicContact CZ-CD1 3.79Å; Y1147-I1183 HydrophobicContact CD2-CD1 3.57Å; Y1147-I1183 HydrophobicContact CD2-CG1 4.35Å; Y1147-I1183 HydrophobicContact CE2-CD1 3.64Å; Y1147-I1183 HydrophobicContact CE2-CG1 3.99Å; Y1147-I1183 HydrophobicContact CG-CD1 4.43Å; Y1147-I1183 WeakPolarHBondContact O-CD1 3.44Å; F1150-I1183 HydrophobicContact CB-CD1 3.71Å; F1150-I1183 HydrophobicContact CB-CG2 4.24Å; Q1151-I1183 HydrophobicContact CB-CD1 3.96Å; E1154-I1183 HydrophobicContact CB-CG2 4.08Å; E1154-I1183 HydrophobicContact CG-CG2 4.33Å; I1183-G1185 PolarHBondContact O-N 3.14Å
1184	D	97.6	Very high	94.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	103.2	178.8	-167.8	20.3	0	0	0	112.4	N5 F1104 E1154 H1169 R1173 D1186 L1187 C1188	N5-D1184 PolarHBondContact ND2-OD1 3.24Å; F1104-D1184 HydrophobicContact CE2-CB 4.13Å; F1104-D1184 HydrophobicContact CZ-CB 4.3Å; E1154-D1184 PolarHBondContact OE1-N 3.32Å; E1154-D1184 VanDerWaalsContact OE1-N 3.09Å; H1169-D1184 IonicContact CD2-OD2 3.12Å; H1169-D1184 IonicContact CE1-OD2 2.73Å; H1169-D1184 IonicContact NE2-OD2 2.61Å; H1169-D1184 PolarHBondContact NE2-OD2 3.34Å; R1173-D1184 IonicContact CZ-OD1 2.74Å; R1173-D1184 IonicContact CZ-OD2 3.37Å; R1173-D1184 IonicContact NE-OD1 3.72Å; R1173-D1184 IonicContact NE-OD2 3.52Å; R1173-D1184 PolarHBondContact NE-OD2 2.87Å; R1173-D1184 VanDerWaalsContact NH2-CG 3.25Å; R1173-D1184 IonicContact NH2-OD1 2.67Å; R1173-D1184 PolarHBondContact NH2-OD1 2.9Å; R1173-D1184 IonicContact NH2-OD2 3Å; R1173-D1184 PolarHBondContact NH2-OD2 2.9Å; D1184-D1186 VanDerWaalsContact C-N 3.29Å; D1184-D1186 PolarHBondContact O-N 3.38Å; D1184-D1186 PolarHBondContact OD1-N 3.11Å; D1184-L1187 HydrophobicContact CB-CB 4.42Å; D1184-L1187 PolarHBondContact O-N 2.77Å; D1184-C1188 PolarHBondContact O-N 3.35Å; D1184-C1188 PolarHBondContact O-SG 3.21Å; D1184-C1188 VanDerWaalsContact O-SG 3.4Å
1185	G	95.7	Very high	93.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-70.2	-25.5	178.4	0	0	0	0	0	113.8	Y4 N5 I1183 L1187 C1188 E1189	Y4-G1185 WeakPolarHBondContact OH-CA 3.38Å; N5-G1185 WeakPolarHBondContact O-CA 3.38Å; N5-G1185 PolarHBondContact O-N 2.84Å; I1183-G1185 PolarHBondContact O-N 3.14Å; G1185-L1187 PolarHBondContact O-N 2.88Å; G1185-C1188 PolarHBondContact O-N 3.18Å; G1185-C1188 VanDerWaalsContact O-N 3.16Å; G1185-E1189 WeakPolarHBondContact O-CB 3.2Å; G1185-E1189 WeakPolarHBondContact O-CG 2.94Å; G1185-E1189 PolarHBondContact O-N 3.21Å
1186	D	94.6	Very high	93.5	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.048	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-39.4	175.3	-59.5	-30.7	0	0	0	110.4	N5 T7 E57 F59 R1173 D1184 I1190	N5-D1186 PolarHBondContact ND2-OD2 3.01Å; T7-D1186 WeakPolarHBondContact CB-OD1 3.35Å; T7-D1186 PolarHBondContact N-OD1 3.02Å; T7-D1186 VanDerWaalsContact OG1-CG 3.24Å; T7-D1186 PolarHBondContact OG1-OD1 2.87Å; T7-D1186 PolarHBondContact OG1-OD2 3.02Å; T7-D1186 VanDerWaalsContact OG1-OD2 3.06Å; E57-D1186 VanDerWaalsContact OE2-CB 3.3Å; E57-D1186 WeakPolarHBondContact OE2-CB 3.12Å; F59-D1186 HydrophobicContact CE1-CB 4.18Å; R1173-D1186 IonicContact NH2-OD2 2.67Å; R1173-D1186 PolarHBondContact NH2-OD2 3.14Å; D1184-D1186 VanDerWaalsContact C-N 3.29Å; D1184-D1186 PolarHBondContact O-N 3.38Å; D1184-D1186 PolarHBondContact OD1-N 3.11Å; D1186-I1190 WeakPolarHBondContact O-CG1 3.43Å
1187	L	95.7	Very high	93.3	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-71.6	-44.5	172.9	-178.4	66	0	0	0	112.3	F59 E1154 M1157 R1158 L1162 D1184 G1185 E1189 I1190	F59-L1187 HydrophobicContact CE1-CB 4.21Å; F59-L1187 HydrophobicContact CE2-CD1 3.86Å; F59-L1187 HydrophobicContact CZ-CB 3.95Å; F59-L1187 HydrophobicContact CZ-CD1 3.99Å; E1154-L1187 HydrophobicContact CG-CD2 4.15Å; M1157-L1187 HydrophobicContact CB-CD1 4.35Å; M1157-L1187 HydrophobicContact CB-CD2 4.11Å; M1157-L1187 HydrophobicContact CB-CG 3.91Å; M1157-L1187 VanDerWaalsContact CE-O 3.29Å; M1157-L1187 WeakPolarHBondContact CE-O 3.2Å; R1158-L1187 HydrophobicContact CG-CD2 3.58Å; L1162-L1187 HydrophobicContact CB-CD1 4.45Å; L1162-L1187 HydrophobicContact CD1-CD1 4.12Å; D1184-L1187 HydrophobicContact CB-CB 4.42Å; D1184-L1187 PolarHBondContact O-N 2.77Å; G1185-L1187 PolarHBondContact O-N 2.88Å; L1187-E1189 VanDerWaalsContact C-N 3.34Å; L1187-E1189 PolarHBondContact O-N 2.68Å; L1187-I1190 HydrophobicContact CD1-CD1 4.45Å; L1187-I1190 WeakPolarHBondContact O-CB 3.25Å; L1187-I1190 PolarHBondContact O-N 2.82Å
1188	C	95.7	Very high	93.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-38.8	-178.7	-66.7	0	0	0	0	112.7	Y4 L1153 D1184 G1185 I1190 F1191 L1217	Y4-C1188 HydrophobicContact CE2-CB 4.37Å; L1153-C1188 HydrophobicContact CD2-CB 4.02Å; D1184-C1188 PolarHBondContact O-N 3.35Å; D1184-C1188 PolarHBondContact O-SG 3.21Å; D1184-C1188 VanDerWaalsContact O-SG 3.4Å; G1185-C1188 PolarHBondContact O-N 3.18Å; G1185-C1188 VanDerWaalsContact O-N 3.16Å; C1188-I1190 PolarHBondContact O-N 2.77Å; C1188-F1191 WeakPolarHBondContact O-CB 3.34Å; C1188-F1191 PolarHBondContact O-N 2.88Å; C1188-F1191 VanDerWaalsContact O-N 3.13Å; C1188-L1217 HydrophobicContact CB-CD2 3.74Å
1189	E	92.5	Very high	92.9	Very high	23 Å²	23	36.1 Å²	36.1	11%	0.107	20%	0.195	C	C	.	.	H	α-helix	trans	-71.6	-16.2	-178.8	-73.6	-175.7	177.7	0	0	113.9	G1185 L1187 F1191 N1192 L1217 R1221	G1185-E1189 WeakPolarHBondContact O-CB 3.2Å; G1185-E1189 WeakPolarHBondContact O-CG 2.94Å; G1185-E1189 PolarHBondContact O-N 3.21Å; L1187-E1189 VanDerWaalsContact C-N 3.34Å; L1187-E1189 PolarHBondContact O-N 2.68Å; E1189-F1191 PolarHBondContact O-N 2.8Å; E1189-N1192 PolarHBondContact O-N 2.9Å; E1189-L1217 HydrophobicContact CG-CD2 4.29Å; E1189-R1221 IonicContact OE1-CZ 3.99Å; E1189-R1221 IonicContact OE1-NE 3.56Å; E1189-R1221 PolarHBondContact OE1-NE 3.09Å; E1189-R1221 IonicContact OE1-NH2 3.03Å; E1189-R1221 PolarHBondContact OE1-NH2 3.47Å; E1189-R1221 IonicContact OE2-CZ 3.51Å; E1189-R1221 IonicContact OE2-NE 3.98Å; E1189-R1221 IonicContact OE2-NH2 2.74Å; E1189-R1221 PolarHBondContact OE2-NH2 3.08Å
1190	I	91.7	Very high	92.8	Very high	37 Å²	37	41.6 Å²	41.6	19%	0.19	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-62.9	-20.3	170.3	-66.2	169	0	0	0	111.1	F59 M1157 L1162 D1186 L1187 C1188 N1192 S1193 L1194	F59-I1190 HydrophobicContact CE2-CD1 3.47Å; F59-I1190 VanDerWaalsContact CE2-CD1 3.47Å; F59-I1190 HydrophobicContact CZ-CD1 3.56Å; M1157-I1190 HydrophobicContact CE-CB 3.98Å; M1157-I1190 HydrophobicContact CE-CG2 4.23Å; L1162-I1190 HydrophobicContact CD1-CG2 3.96Å; D1186-I1190 WeakPolarHBondContact O-CG1 3.43Å; L1187-I1190 HydrophobicContact CD1-CD1 4.45Å; L1187-I1190 WeakPolarHBondContact O-CB 3.25Å; L1187-I1190 PolarHBondContact O-N 2.82Å; C1188-I1190 PolarHBondContact O-N 2.77Å; I1190-N1192 PolarHBondContact O-N 2.8Å; I1190-N1192 VanDerWaalsContact O-N 3.13Å; I1190-S1193 WeakPolarHBondContact O-CA 3.36Å; I1190-S1193 PolarHBondContact O-N 2.91Å; I1190-L1194 HydrophobicContact CG2-CD2 4.24Å; I1190-L1194 PolarHBondContact O-N 2.74Å
1191	F	93	Very high	92.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-48.5	-43.6	176.2	177.6	-95.8	0	0	0	111.8	L1153 M1157 C1188 E1189 S1193 L1194 Q1199 I1202 P1210 I1213 L1217	L1153-F1191 HydrophobicContact CD1-CD2 4.21Å; M1157-F1191 HydrophobicContact CE-CB 4Å; M1157-F1191 HydrophobicContact SD-CB 4.06Å; M1157-F1191 HydrophobicContact SD-CD2 4.11Å; C1188-F1191 WeakPolarHBondContact O-CB 3.34Å; C1188-F1191 PolarHBondContact O-N 2.88Å; C1188-F1191 VanDerWaalsContact O-N 3.13Å; E1189-F1191 PolarHBondContact O-N 2.8Å; F1191-S1193 PolarHBondContact O-N 2.78Å; F1191-L1194 HydrophobicContact CD2-CD1 4.5Å; F1191-L1194 WeakPolarHBondContact O-CB 3.39Å; F1191-L1194 PolarHBondContact O-N 2.82Å; F1191-L1194 VanDerWaalsContact O-N 3.15Å; F1191-Q1199 HydrophobicContact CE1-CB 4.46Å; F1191-Q1199 HydrophobicContact CE1-CG 4.4Å; F1191-Q1199 HydrophobicContact CE2-CB 4.15Å; F1191-Q1199 HydrophobicContact CE2-CG 4.32Å; F1191-Q1199 HydrophobicContact CZ-CB 3.86Å; F1191-Q1199 HydrophobicContact CZ-CG 4.16Å; F1191-Q1199 WeakPolarHBondContact O-CG 3.24Å; F1191-Q1199 PolarHBondContact O-NE2 2.63Å; F1191-Q1199 VanDerWaalsContact O-NE2 3.16Å; F1191-I1202 HydrophobicContact CD2-CD1 4.45Å; F1191-I1202 HydrophobicContact CD2-CG2 4.37Å; F1191-I1202 HydrophobicContact CE2-CB 4.09Å; F1191-I1202 HydrophobicContact CE2-CG2 4.01Å; F1191-P1210 HydrophobicContact CE1-CB 4.4Å; F1191-P1210 HydrophobicContact CZ-CB 4.22Å; F1191-I1213 HydrophobicContact CD1-CB 4.33Å; F1191-I1213 HydrophobicContact CD1-CG2 3.7Å; F1191-I1213 HydrophobicContact CD2-CG2 4.38Å; F1191-I1213 HydrophobicContact CE1-CB 3.78Å; F1191-I1213 HydrophobicContact CE1-CG2 3.64Å; F1191-I1213 HydrophobicContact CE2-CD1 4.18Å; F1191-I1213 HydrophobicContact CE2-CG2 4.32Å; F1191-I1213 HydrophobicContact CG-CG2 4.09Å; F1191-I1213 HydrophobicContact CZ-CB 4.01Å; F1191-I1213 HydrophobicContact CZ-CD1 3.94Å; F1191-I1213 HydrophobicContact CZ-CG2 3.97Å; F1191-L1217 HydrophobicContact CB-CD1 4.09Å; F1191-L1217 HydrophobicContact CD1-CD1 4.21Å; F1191-L1217 HydrophobicContact CG-CD1 4.48Å
1192	N	87.3	Confident	92.6	Very high	65 Å²	65	36 Å²	36	35%	0.348	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-67.5	-15.1	-179.6	-65.7	-23.5	0	0	0	113.8	E1189 I1190 A1214	E1189-N1192 PolarHBondContact O-N 2.9Å; I1190-N1192 PolarHBondContact O-N 2.8Å; I1190-N1192 VanDerWaalsContact O-N 3.13Å; N1192-A1214 WeakPolarHBondContact OD1-CB 3.36Å
1193	S	84.2	Confident	92.5	Very high	62 Å²	62	35.6 Å²	35.6	43%	0.434	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-104.2	-1.7	177.7	-68.8	0	0	0	0	113.6	R733 I1190 F1191	R733-S1193 PolarHBondContact NE-OG 2.85Å; R733-S1193 VanDerWaalsContact NE-OG 3.14Å; R733-S1193 PolarHBondContact NH2-OG 3.33Å; I1190-S1193 WeakPolarHBondContact O-CA 3.36Å; I1190-S1193 PolarHBondContact O-N 2.91Å; F1191-S1193 PolarHBondContact O-N 2.78Å
1194	L	87.4	Confident	92.3	Very high	22 Å²	22	42.1 Å²	42.1	12%	0.115	22%	0.224	C	C	.	.	S	Bend	trans	-71.7	155.9	173.8	-63.7	-178.7	0	0	0	111.2	M1157 L1162 I1190 F1191 K1198 Q1199 I1202	M1157-L1194 HydrophobicContact CE-CD1 3.91Å; M1157-L1194 HydrophobicContact CE-CG 4.41Å; M1157-L1194 HydrophobicContact SD-CD1 3.81Å; L1162-L1194 HydrophobicContact CD1-CD2 4.15Å; L1162-L1194 HydrophobicContact CD2-CD2 3.64Å; I1190-L1194 HydrophobicContact CG2-CD2 4.24Å; I1190-L1194 PolarHBondContact O-N 2.74Å; F1191-L1194 HydrophobicContact CD2-CD1 4.5Å; F1191-L1194 WeakPolarHBondContact O-CB 3.39Å; F1191-L1194 PolarHBondContact O-N 2.82Å; F1191-L1194 VanDerWaalsContact O-N 3.15Å; L1194-K1198 HydrophobicContact CB-CB 4.35Å; L1194-K1198 HydrophobicContact CD1-CB 4.49Å; L1194-Q1199 HydrophobicContact CB-CG 3.95Å; L1194-Q1199 PolarHBondContact O-NE2 2.98Å; L1194-I1202 HydrophobicContact CD1-CD1 3.81Å
1195	E	86.6	Confident	92.2	Very high	99 Å²	99	47.8 Å²	47.8	46%	0.463	25%	0.251	S	S	.	.			trans	-58.8	142.6	170.9	-63.1	-175	163.5	0	0	110.7	K96 S1197 K1198 Q1199	K96-E1195 IonicContact NZ-OE1 2.71Å; K96-E1195 PolarHBondContact NZ-OE1 2.94Å; E1195-S1197 PolarHBondContact O-N 3.24Å; E1195-K1198 PolarHBondContact O-N 2.96Å; E1195-Q1199 PolarHBondContact O-N 3.07Å; E1195-Q1199 VanDerWaalsContact O-N 3.11Å
1196	G	86.9	Confident	92.1	Very high	40 Å²	40	49 Å²	49	41%	0.412	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-17.4	-173	0	0	0	0	0	115.3	R1200	G1196-R1200 WeakPolarHBondContact O-CG 3.29Å; G1196-R1200 PolarHBondContact O-N 3.07Å; G1196-R1200 PolarHBondContact O-NE 3.39Å
1197	S	91.7	Very high	92	Very high	66 Å²	66	55.2 Å²	55.2	46%	0.462	29%	0.29	S	S	.	.	H	α-helix	trans	-70.1	-46.6	170.2	51.2	0	0	0	0	111.7	E1195 R1200 S1201	E1195-S1197 PolarHBondContact O-N 3.24Å; S1197-R1200 PolarHBondContact O-N 3.42Å; S1197-S1201 PolarHBondContact O-N 3.01Å
1198	K	91.7	Very high	91.9	Very high	76 Å²	76	58.7 Å²	58.7	33%	0.33	31%	0.305	S	S	.	.	H	α-helix	trans	-67.2	-41.6	178.2	-67	-171.6	170.4	-147.6	0	111.9	E1160 L1194 E1195 R1200 S1201 I1202	E1160-K1198 WeakPolarHBondContact OE2-CD 3.35Å; E1160-K1198 WeakPolarHBondContact OE2-CE 3.01Å; E1160-K1198 IonicContact OE2-NZ 3.16Å; E1160-K1198 PolarHBondContact OE2-NZ 2.65Å; L1194-K1198 HydrophobicContact CB-CB 4.35Å; L1194-K1198 HydrophobicContact CD1-CB 4.49Å; E1195-K1198 PolarHBondContact O-N 2.96Å; K1198-R1200 VanDerWaalsContact C-N 3.27Å; K1198-R1200 PolarHBondContact O-N 3.37Å; K1198-S1201 PolarHBondContact O-N 2.87Å; K1198-I1202 WeakPolarHBondContact O-CG1 3.42Å; K1198-I1202 PolarHBondContact O-N 2.96Å
1199	Q	92.4	Very high	91.8	Very high	38 Å²	38	61.7 Å²	61.7	18%	0.178	32%	0.323	C	S	.	.	H	α-helix	trans	-56.4	-44.4	174.9	-67	-174.7	10.1	0	0	111.5	F1191 L1194 E1195 A1203 P1210	F1191-Q1199 HydrophobicContact CE1-CB 4.46Å; F1191-Q1199 HydrophobicContact CE1-CG 4.4Å; F1191-Q1199 HydrophobicContact CE2-CB 4.15Å; F1191-Q1199 HydrophobicContact CE2-CG 4.32Å; F1191-Q1199 HydrophobicContact CZ-CB 3.86Å; F1191-Q1199 HydrophobicContact CZ-CG 4.16Å; F1191-Q1199 WeakPolarHBondContact O-CG 3.24Å; F1191-Q1199 PolarHBondContact O-NE2 2.63Å; F1191-Q1199 VanDerWaalsContact O-NE2 3.16Å; L1194-Q1199 HydrophobicContact CB-CG 3.95Å; L1194-Q1199 PolarHBondContact O-NE2 2.98Å; E1195-Q1199 PolarHBondContact O-N 3.07Å; E1195-Q1199 VanDerWaalsContact O-N 3.11Å; Q1199-A1203 WeakPolarHBondContact O-CB 3.3Å; Q1199-A1203 PolarHBondContact O-N 3.29Å; Q1199-P1210 HydrophobicContact CB-CB 4.21Å; Q1199-P1210 HydrophobicContact CB-CG 4.33Å
1200	R	94.5	Very high	91.7	Very high	148 Å²	148	62.2 Å²	62.2	56%	0.558	33%	0.329	S	S	*	.	H	α-helix	trans	-63.5	-46.8	176.1	-79.5	-179.4	-80.3	161.9	-10.7	112.2	G1196 S1197 K1198 I1202 A1203 E1204 P1210	G1196-R1200 WeakPolarHBondContact O-CG 3.29Å; G1196-R1200 PolarHBondContact O-N 3.07Å; G1196-R1200 PolarHBondContact O-NE 3.39Å; S1197-R1200 PolarHBondContact O-N 3.42Å; K1198-R1200 VanDerWaalsContact C-N 3.27Å; K1198-R1200 PolarHBondContact O-N 3.37Å; R1200-I1202 PolarHBondContact O-N 2.85Å; R1200-A1203 PolarHBondContact O-N 3.26Å; R1200-E1204 WeakPolarHBondContact O-CB 3.42Å; R1200-E1204 VanDerWaalsContact O-CG 3.32Å; R1200-E1204 WeakPolarHBondContact O-CG 3.21Å; R1200-E1204 PolarHBondContact O-N 3.08Å; R1200-P1210 HydrophobicContact CG-CG 3.94Å
1201	S	95.2	Very high	91.6	Very high	54 Å²	54	62.7 Å²	62.7	38%	0.378	34%	0.335	S	S	.	.	H	α-helix	trans	-56.1	-49.1	177.8	-167.4	0	0	0	0	112.1	S1197 K1198 E1204 E1205	S1197-S1201 PolarHBondContact O-N 3.01Å; K1198-S1201 PolarHBondContact O-N 2.87Å; S1201-E1204 PolarHBondContact O-N 2.92Å; S1201-E1205 WeakPolarHBondContact O-CG 3.26Å; S1201-E1205 PolarHBondContact O-N 3.22Å; S1201-E1205 VanDerWaalsContact O-N 3.14Å
1202	I	94.6	Very high	91.5	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.015	35%	0.353	C	S	.	.	H	α-helix	trans	-66.4	-40.1	179	-64.6	169.4	0	0	0	110.7	L1153 H1156 M1157 E1160 F1191 L1194 K1198 R1200 E1205 M1206	L1153-I1202 HydrophobicContact CD1-CG2 4.18Å; H1156-I1202 HydrophobicContact CB-CG1 4.43Å; H1156-I1202 HydrophobicContact CB-CG2 3.89Å; M1157-I1202 HydrophobicContact SD-CD1 3.95Å; E1160-I1202 HydrophobicContact CG-CD1 4.1Å; F1191-I1202 HydrophobicContact CD2-CD1 4.45Å; F1191-I1202 HydrophobicContact CD2-CG2 4.37Å; F1191-I1202 HydrophobicContact CE2-CB 4.09Å; F1191-I1202 HydrophobicContact CE2-CG2 4.01Å; L1194-I1202 HydrophobicContact CD1-CD1 3.81Å; K1198-I1202 WeakPolarHBondContact O-CG1 3.42Å; K1198-I1202 PolarHBondContact O-N 2.96Å; R1200-I1202 PolarHBondContact O-N 2.85Å; I1202-E1205 PolarHBondContact O-N 2.82Å; I1202-M1206 HydrophobicContact CG2-SD 4.25Å; I1202-M1206 WeakPolarHBondContact O-CG 3.48Å; I1202-M1206 PolarHBondContact O-N 2.81Å
1203	A	94.6	Very high	91.8	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-66	-40.4	179.6	0	0	0	0	0	112.5	Q1199 R1200 M1206 D1207 K1208 P1210 I1213	Q1199-A1203 WeakPolarHBondContact O-CB 3.3Å; Q1199-A1203 PolarHBondContact O-N 3.29Å; R1200-A1203 PolarHBondContact O-N 3.26Å; A1203-M1206 CarbonylContact O-C 3.6Å; A1203-M1206 PolarHBondContact O-N 3.05Å; A1203-M1206 VanDerWaalsContact O-N 3.16Å; A1203-D1207 PolarHBondContact O-N 3.32Å; A1203-K1208 CarbonylContact C-O 3.59Å; A1203-K1208 VanDerWaalsContact C-O 3.24Å; A1203-K1208 WeakPolarHBondContact CB-O 3.17Å; A1203-K1208 PolarHBondContact O-N 2.7Å; A1203-P1210 HydrophobicContact CB-CG 3.86Å; A1203-I1213 HydrophobicContact CB-CD1 3.84Å
1204	E	95	Very high	92.1	Very high	138 Å²	138	60.8 Å²	60.8	65%	0.645	32%	0.323	S	S	*	.	H	α-helix	trans	-61.3	-44.8	174.5	-75.6	172.4	-169	0	0	111.4	R1200 S1201 M1206 D1207	R1200-E1204 WeakPolarHBondContact O-CB 3.42Å; R1200-E1204 VanDerWaalsContact O-CG 3.32Å; R1200-E1204 WeakPolarHBondContact O-CG 3.21Å; R1200-E1204 PolarHBondContact O-N 3.08Å; S1201-E1204 PolarHBondContact O-N 2.92Å; E1204-M1206 PolarHBondContact O-N 3.46Å; E1204-D1207 PolarHBondContact O-N 3.29Å; E1204-D1207 VanDerWaalsContact O-N 3.11Å
1205	E	94.3	Very high	92.2	Very high	119 Å²	119	63 Å²	63	56%	0.556	33%	0.332	S	S	*	.	H	α-helix	trans	-62.7	-24.9	175.4	-72.3	179.8	-175	0	0	113.3	H1156 S1201 I1202	H1156-E1205 IonicContact CE1-OE2 2.75Å; H1156-E1205 PolarHBondContact CE1-OE2 2.79Å; H1156-E1205 IonicContact CG-OE2 3.73Å; H1156-E1205 IonicContact ND1-OE2 2.68Å; H1156-E1205 PolarHBondContact ND1-OE2 3.08Å; S1201-E1205 WeakPolarHBondContact O-CG 3.26Å; S1201-E1205 PolarHBondContact O-N 3.22Å; S1201-E1205 VanDerWaalsContact O-N 3.14Å; I1202-E1205 PolarHBondContact O-N 2.82Å
1206	M	93.5	Very high	92.5	Very high	25 Å²	25	63.1 Å²	63.1	12%	0.123	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	4.1	177.7	-68.4	-172.4	73.2	0	0	114	F1149 H1152 L1153 I1202 A1203 E1204 K1208 I1213	F1149-M1206 HydrophobicContact CD2-CE 3.55Å; F1149-M1206 HydrophobicContact CE2-CE 3.36Å; F1149-M1206 HydrophobicContact CG-CE 4.31Å; F1149-M1206 HydrophobicContact CZ-CE 3.97Å; F1149-M1206 WeakPolarHBondContact O-CE 3.3Å; H1152-M1206 HydrophobicContact CB-CE 4.28Å; L1153-M1206 HydrophobicContact CB-CE 3.9Å; L1153-M1206 HydrophobicContact CB-SD 4.03Å; L1153-M1206 HydrophobicContact CD1-SD 3.85Å; I1202-M1206 HydrophobicContact CG2-SD 4.25Å; I1202-M1206 WeakPolarHBondContact O-CG 3.48Å; I1202-M1206 PolarHBondContact O-N 2.81Å; A1203-M1206 CarbonylContact O-C 3.6Å; A1203-M1206 PolarHBondContact O-N 3.05Å; A1203-M1206 VanDerWaalsContact O-N 3.16Å; E1204-M1206 PolarHBondContact O-N 3.46Å; M1206-K1208 VanDerWaalsContact C-N 3.3Å; M1206-K1208 HydrophobicContact CB-CG 4.44Å; M1206-K1208 WeakPolarHBondContact O-CG 3.34Å; M1206-K1208 PolarHBondContact O-N 2.79Å; M1206-I1213 HydrophobicContact CB-CD1 4.48Å; M1206-I1213 HydrophobicContact SD-CD1 3.83Å
1207	D	94.5	Very high	92.8	Very high	141 Å²	141	61.3 Å²	61.3	75%	0.754	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	45.1	-172.9	-61	-49.9	0	0	0	112.6	A1203 E1204	A1203-D1207 PolarHBondContact O-N 3.32Å; E1204-D1207 PolarHBondContact O-N 3.29Å; E1204-D1207 VanDerWaalsContact O-N 3.11Å
1208	K	93.1	Very high	92.7	Very high	76 Å²	76	60.6 Å²	60.6	33%	0.33	30%	0.298	S	S	.	.	S	Bend	trans	-138.1	168.8	-178.5	-65.8	-68.1	155	-110.4	0	111.5	F1149 A1203 M1206 D1212 I1213	F1149-K1208 HydrophobicContact CE2-CG 4.39Å; A1203-K1208 CarbonylContact C-O 3.59Å; A1203-K1208 VanDerWaalsContact C-O 3.24Å; A1203-K1208 WeakPolarHBondContact CB-O 3.17Å; A1203-K1208 PolarHBondContact O-N 2.7Å; M1206-K1208 VanDerWaalsContact C-N 3.3Å; M1206-K1208 HydrophobicContact CB-CG 4.44Å; M1206-K1208 WeakPolarHBondContact O-CG 3.34Å; M1206-K1208 PolarHBondContact O-N 2.79Å; K1208-D1212 HydrophobicContact CB-CB 4.33Å; K1208-D1212 HydrophobicContact CD-CB 4.22Å; K1208-I1213 HydrophobicContact CB-CD1 4.31Å; K1208-I1213 HydrophobicContact CB-CG1 4.01Å
1209	T	92.7	Very high	92.6	Very high	62 Å²	62	59.6 Å²	59.6	38%	0.38	30%	0.296	S	S	.	.			trans	-93.4	155.1	164.3	65.2	0	0	0	0	110.3	S1211 D1212 I1213	T1209-S1211 PolarHBondContact O-N 2.98Å; T1209-S1211 PolarHBondContact OG1-OG 2.71Å; T1209-D1212 PolarHBondContact N-OD2 2.84Å; T1209-D1212 WeakPolarHBondContact O-CB 3.39Å; T1209-D1212 PolarHBondContact O-N 2.87Å; T1209-D1212 VanDerWaalsContact O-N 3.11Å; T1209-D1212 PolarHBondContact OG1-N 3.5Å; T1209-D1212 PolarHBondContact OG1-OD2 3Å; T1209-I1213 PolarHBondContact O-N 3.15Å
1210	P	91.6	Very high	92.6	Very high	34 Å²	34	58.5 Å²	58.5	22%	0.221	29%	0.292	C	S	.	.	H	α-helix	trans	-55.4	-36.9	174.5	-28.8	36.6	0	0	0	113.4	F1191 Q1199 R1200 A1203 I1213 A1214	F1191-P1210 HydrophobicContact CE1-CB 4.4Å; F1191-P1210 HydrophobicContact CZ-CB 4.22Å; Q1199-P1210 HydrophobicContact CB-CB 4.21Å; Q1199-P1210 HydrophobicContact CB-CG 4.33Å; R1200-P1210 HydrophobicContact CG-CG 3.94Å; A1203-P1210 HydrophobicContact CB-CG 3.86Å; P1210-I1213 PolarHBondContact O-N 2.81Å; P1210-A1214 WeakPolarHBondContact O-CB 3.46Å; P1210-A1214 PolarHBondContact O-N 3.41Å
1211	S	88.3	Confident	92.5	Very high	47 Å²	47	53.8 Å²	53.8	33%	0.329	27%	0.274	S	S	.	.	H	α-helix	trans	-64.5	-40.6	176.3	51.1	0	0	0	0	112	R695 T1209 I1213 A1214 K1215	R695-S1211 PolarHBondContact NH2-O 3.01Å; T1209-S1211 PolarHBondContact O-N 2.98Å; T1209-S1211 PolarHBondContact OG1-OG 2.71Å; S1211-I1213 VanDerWaalsContact C-N 3.33Å; S1211-I1213 PolarHBondContact O-N 3.22Å; S1211-A1214 PolarHBondContact O-N 3.27Å; S1211-K1215 WeakPolarHBondContact O-CB 3.48Å; S1211-K1215 PolarHBondContact O-N 2.82Å
1212	D	91.2	Very high	92.2	Very high	68 Å²	68	52.4 Å²	52.4	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-61.2	-40	175.2	-67.7	-41.9	0	0	0	112.4	K1208 T1209 K1215 R1216	K1208-D1212 HydrophobicContact CB-CB 4.33Å; K1208-D1212 HydrophobicContact CD-CB 4.22Å; T1209-D1212 PolarHBondContact N-OD2 2.84Å; T1209-D1212 WeakPolarHBondContact O-CB 3.39Å; T1209-D1212 PolarHBondContact O-N 2.87Å; T1209-D1212 VanDerWaalsContact O-N 3.11Å; T1209-D1212 PolarHBondContact OG1-N 3.5Å; T1209-D1212 PolarHBondContact OG1-OD2 3Å; D1212-K1215 WeakPolarHBondContact O-CB 3.47Å; D1212-K1215 PolarHBondContact O-N 3.11Å; D1212-R1216 WeakPolarHBondContact O-CG 3.36Å; D1212-R1216 PolarHBondContact O-N 3.28Å; D1212-R1216 VanDerWaalsContact O-N 3.11Å
1213	I	93.8	Very high	91.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-67.6	-48.7	177.2	-63.7	-179.1	0	0	0	110	F1149 L1153 F1191 A1203 M1206 K1208 T1209 P1210 S1211 K1215 R1216 L1217	F1149-I1213 HydrophobicContact CE2-CG1 4.42Å; F1149-I1213 HydrophobicContact CZ-CB 4.49Å; F1149-I1213 HydrophobicContact CZ-CG1 4.13Å; F1149-I1213 HydrophobicContact CZ-CG2 4.35Å; L1153-I1213 HydrophobicContact CD1-CG2 4.05Å; L1153-I1213 HydrophobicContact CD2-CG2 3.97Å; F1191-I1213 HydrophobicContact CD1-CB 4.33Å; F1191-I1213 HydrophobicContact CD1-CG2 3.7Å; F1191-I1213 HydrophobicContact CD2-CG2 4.38Å; F1191-I1213 HydrophobicContact CE1-CB 3.78Å; F1191-I1213 HydrophobicContact CE1-CG2 3.64Å; F1191-I1213 HydrophobicContact CE2-CD1 4.18Å; F1191-I1213 HydrophobicContact CE2-CG2 4.32Å; F1191-I1213 HydrophobicContact CG-CG2 4.09Å; F1191-I1213 HydrophobicContact CZ-CB 4.01Å; F1191-I1213 HydrophobicContact CZ-CD1 3.94Å; F1191-I1213 HydrophobicContact CZ-CG2 3.97Å; A1203-I1213 HydrophobicContact CB-CD1 3.84Å; M1206-I1213 HydrophobicContact CB-CD1 4.48Å; M1206-I1213 HydrophobicContact SD-CD1 3.83Å; K1208-I1213 HydrophobicContact CB-CD1 4.31Å; K1208-I1213 HydrophobicContact CB-CG1 4.01Å; T1209-I1213 PolarHBondContact O-N 3.15Å; P1210-I1213 PolarHBondContact O-N 2.81Å; S1211-I1213 VanDerWaalsContact C-N 3.33Å; S1211-I1213 PolarHBondContact O-N 3.22Å; I1213-K1215 PolarHBondContact O-N 2.83Å; I1213-R1216 PolarHBondContact O-N 2.84Å; I1213-R1216 VanDerWaalsContact O-N 3.13Å; I1213-L1217 HydrophobicContact CG2-CD1 4.07Å; I1213-L1217 WeakPolarHBondContact O-CG 3.11Å; I1213-L1217 PolarHBondContact O-N 3.37Å
1214	A	90.1	Very high	91.7	Very high	20 Å²	20	59.1 Å²	59.1	17%	0.165	29%	0.288	C	S	.	.	H	α-helix	trans	-57	-35	175.4	0	0	0	0	0	111.8	R695 N1192 P1210 S1211 E1218	R695-A1214 PolarHBondContact NH1-O 3.44Å; N1192-A1214 WeakPolarHBondContact OD1-CB 3.36Å; P1210-A1214 WeakPolarHBondContact O-CB 3.46Å; P1210-A1214 PolarHBondContact O-N 3.41Å; S1211-A1214 PolarHBondContact O-N 3.27Å; A1214-E1218 WeakPolarHBondContact O-CB 3.46Å; A1214-E1218 PolarHBondContact O-N 2.82Å
1215	K	90.4	Very high	91.4	Very high	69 Å²	69	52.5 Å²	52.5	30%	0.3	26%	0.258	S	S	.	.	H	α-helix	trans	-62.2	-50.2	173.4	-167.5	165.8	173.3	164.9	0	113.5	T694 S1211 D1212 I1213 L1217 E1218 D1219	T694-K1215 PolarHBondContact O-NZ 2.68Å; S1211-K1215 WeakPolarHBondContact O-CB 3.48Å; S1211-K1215 PolarHBondContact O-N 2.82Å; D1212-K1215 WeakPolarHBondContact O-CB 3.47Å; D1212-K1215 PolarHBondContact O-N 3.11Å; I1213-K1215 PolarHBondContact O-N 2.83Å; K1215-L1217 VanDerWaalsContact C-N 3.28Å; K1215-L1217 PolarHBondContact O-N 3.37Å; K1215-E1218 PolarHBondContact O-N 2.92Å; K1215-D1219 WeakPolarHBondContact O-CB 3.33Å; K1215-D1219 PolarHBondContact O-N 2.83Å
1216	R	92.7	Very high	90.9	Very high	100 Å²	100	48.1 Å²	48.1	38%	0.377	24%	0.237	S	C	.	.	H	α-helix	trans	-63.9	-37.5	179.8	-69.4	174.8	176.1	-143.9	-2.4	111.7	F1149 F1150 D1212 I1213 D1219 I1220	F1149-R1216 HydrophobicContact CE1-CB 3.73Å; F1149-R1216 VanDerWaalsContact CE1-CD 3.48Å; F1149-R1216 HydrophobicContact CE1-CG 4.27Å; F1149-R1216 HydrophobicContact CZ-CB 4.11Å; F1149-R1216 HydrophobicContact CZ-CG 4.36Å; F1150-R1216 HydrophobicContact CZ-CB 4.19Å; F1150-R1216 WeakPolarHBondContact CZ-O 3.42Å; D1212-R1216 WeakPolarHBondContact O-CG 3.36Å; D1212-R1216 PolarHBondContact O-N 3.28Å; D1212-R1216 VanDerWaalsContact O-N 3.11Å; I1213-R1216 PolarHBondContact O-N 2.84Å; I1213-R1216 VanDerWaalsContact O-N 3.13Å; R1216-D1219 PolarHBondContact O-N 3.34Å; R1216-I1220 WeakPolarHBondContact O-CG2 3.4Å; R1216-I1220 PolarHBondContact O-N 3.34Å; R1216-I1220 VanDerWaalsContact O-N 3.09Å
1217	L	92.9	Very high	90.8	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-46.8	174.3	-72.2	165.4	0	0	0	112.1	Y4 F1150 L1153 C1188 E1189 F1191 I1213 K1215 I1220 R1221	Y4-L1217 WeakPolarHBondContact OH-CD2 3.28Å; F1150-L1217 HydrophobicContact CD1-CD2 4.36Å; F1150-L1217 HydrophobicContact CE1-CD2 3.71Å; F1150-L1217 HydrophobicContact CE1-CG 4.28Å; L1153-L1217 HydrophobicContact CD2-CD1 4.34Å; L1153-L1217 HydrophobicContact CD2-CD2 4.05Å; L1153-L1217 HydrophobicContact CD2-CG 4.35Å; C1188-L1217 HydrophobicContact CB-CD2 3.74Å; E1189-L1217 HydrophobicContact CG-CD2 4.29Å; F1191-L1217 HydrophobicContact CB-CD1 4.09Å; F1191-L1217 HydrophobicContact CD1-CD1 4.21Å; F1191-L1217 HydrophobicContact CG-CD1 4.48Å; I1213-L1217 HydrophobicContact CG2-CD1 4.07Å; I1213-L1217 WeakPolarHBondContact O-CG 3.11Å; I1213-L1217 PolarHBondContact O-N 3.37Å; K1215-L1217 VanDerWaalsContact C-N 3.28Å; K1215-L1217 PolarHBondContact O-N 3.37Å; L1217-I1220 VanDerWaalsContact O-CG2 3.26Å; L1217-I1220 WeakPolarHBondContact O-CG2 3.46Å; L1217-R1221 PolarHBondContact O-N 2.9Å
1218	E	88.7	Confident	90.6	Very high	51 Å²	51	44.5 Å²	44.5	24%	0.238	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-43.1	176.1	-168.9	178	-174.8	0	0	111.1	R681 R695 A1214 K1215 I1220 R1221 T1222	R681-E1218 IonicContact CZ-OE1 2.76Å; R681-E1218 IonicContact NH1-OE1 3.26Å; R681-E1218 PolarHBondContact NH1-OE1 2.96Å; R681-E1218 IonicContact NH2-OE1 3.8Å; R681-E1218 PolarHBondContact NH2-OE1 2.74Å; R681-E1218 IonicContact NH2-OE2 2.79Å; R681-E1218 PolarHBondContact NH2-OE2 2.84Å; R681-E1218 VanDerWaalsContact NH2-OE2 3.07Å; R695-E1218 IonicContact CZ-OE2 3.53Å; R695-E1218 IonicContact NH1-OE2 2.67Å; R695-E1218 PolarHBondContact NH1-OE2 3.16Å; A1214-E1218 WeakPolarHBondContact O-CB 3.46Å; A1214-E1218 PolarHBondContact O-N 2.82Å; K1215-E1218 PolarHBondContact O-N 2.92Å; E1218-I1220 PolarHBondContact O-N 3.36Å; E1218-R1221 PolarHBondContact O-N 3.15Å; E1218-T1222 HydrophobicContact CG-CG2 3.96Å; E1218-T1222 VanDerWaalsContact O-CB 3.29Å; E1218-T1222 WeakPolarHBondContact O-CB 3.39Å; E1218-T1222 VanDerWaalsContact O-CG2 3.23Å; E1218-T1222 WeakPolarHBondContact O-CG2 3.36Å; E1218-T1222 PolarHBondContact O-N 3.5Å; E1218-T1222 PolarHBondContact O-OG1 3.43Å
1219	D	90.2	Very high	90.5	Very high	55 Å²	55	42.7 Å²	42.7	29%	0.294	21%	0.209	S	C	.	.	H	α-helix	trans	-63	-39.7	-177.9	-74.6	-13	0	0	0	113.1	K1215 R1216 T1222 R1223	K1215-D1219 WeakPolarHBondContact O-CB 3.33Å; K1215-D1219 PolarHBondContact O-N 2.83Å; R1216-D1219 PolarHBondContact O-N 3.34Å; D1219-T1222 WeakPolarHBondContact CA-OG1 3.25Å; D1219-T1222 PolarHBondContact O-OG1 3.28Å; D1219-R1223 VanDerWaalsContact O-CB 3.26Å; D1219-R1223 WeakPolarHBondContact O-CB 3.39Å; D1219-R1223 PolarHBondContact O-N 3.38Å
1220	I	92.3	Very high	90.3	Very high	16 Å²	16	41.6 Å²	41.6	8%	0.082	20%	0.199	C	C	.	.	H	α-helix	trans	-70.1	-39.2	178.3	-170.1	164.5	0	0	0	111.4	Y4 V1139 F1141 F1150 R1216 L1217 E1218 F1224	Y4-I1220 HydrophobicContact CD1-CD1 3.63Å; Y4-I1220 HydrophobicContact CD1-CG1 4.05Å; Y4-I1220 HydrophobicContact CD1-CG2 4.23Å; Y4-I1220 HydrophobicContact CD2-CD1 4.37Å; Y4-I1220 HydrophobicContact CE1-CD1 4.17Å; Y4-I1220 HydrophobicContact CE1-CG1 4.42Å; Y4-I1220 HydrophobicContact CE1-CG2 3.73Å; Y4-I1220 HydrophobicContact CG-CD1 3.74Å; V1139-I1220 HydrophobicContact CG1-CG1 4.32Å; F1141-I1220 HydrophobicContact CD1-CD1 4.11Å; F1141-I1220 HydrophobicContact CE1-CD1 3.49Å; F1141-I1220 VanDerWaalsContact CE1-CD1 3.49Å; F1141-I1220 HydrophobicContact CZ-CD1 4.15Å; F1150-I1220 HydrophobicContact CD2-CD1 4.33Å; F1150-I1220 HydrophobicContact CE1-CG2 4.15Å; F1150-I1220 HydrophobicContact CE2-CB 4.36Å; F1150-I1220 HydrophobicContact CE2-CD1 3.85Å; F1150-I1220 HydrophobicContact CE2-CG2 4.36Å; F1150-I1220 HydrophobicContact CZ-CB 4.05Å; F1150-I1220 HydrophobicContact CZ-CD1 4.17Å; F1150-I1220 HydrophobicContact CZ-CG2 3.64Å; R1216-I1220 WeakPolarHBondContact O-CG2 3.4Å; R1216-I1220 PolarHBondContact O-N 3.34Å; R1216-I1220 VanDerWaalsContact O-N 3.09Å; L1217-I1220 VanDerWaalsContact O-CG2 3.26Å; L1217-I1220 WeakPolarHBondContact O-CG2 3.46Å; E1218-I1220 PolarHBondContact O-N 3.36Å; I1220-F1224 WeakPolarHBondContact O-CD2 3.4Å
1221	R	92.3	Very high	90.3	Very high	49 Å²	49	42.1 Å²	42.1	19%	0.185	20%	0.198	C	C	.	.	H	α-helix	trans	-66.2	-54.4	176.2	175.6	176.8	-77.7	-89.6	6.9	110.9	I6 T7 E1189 L1217 E1218 R1223 F1224 A1225 F1226	I6-R1221 HydrophobicContact CD1-CB 4.27Å; T7-R1221 PolarHBondContact O-NH1 3.33Å; T7-R1221 PolarHBondContact O-NH2 3.34Å; T7-R1221 VanDerWaalsContact O-NH2 3.12Å; E1189-R1221 IonicContact OE1-CZ 3.99Å; E1189-R1221 IonicContact OE1-NE 3.56Å; E1189-R1221 PolarHBondContact OE1-NE 3.09Å; E1189-R1221 IonicContact OE1-NH2 3.03Å; E1189-R1221 PolarHBondContact OE1-NH2 3.47Å; E1189-R1221 IonicContact OE2-CZ 3.51Å; E1189-R1221 IonicContact OE2-NE 3.98Å; E1189-R1221 IonicContact OE2-NH2 2.74Å; E1189-R1221 PolarHBondContact OE2-NH2 3.08Å; L1217-R1221 PolarHBondContact O-N 2.9Å; E1218-R1221 PolarHBondContact O-N 3.15Å; R1221-R1223 VanDerWaalsContact C-N 3.26Å; R1221-R1223 PolarHBondContact O-N 3.24Å; R1221-F1224 PolarHBondContact O-N 3.47Å; R1221-A1225 CarbonylContact O-C 3.35Å; R1221-A1225 WeakPolarHBondContact O-CA 3.46Å; R1221-A1225 PolarHBondContact O-N 2.92Å; R1221-F1226 WeakPolarHBondContact CG-O 3.47Å
1222	T	88.9	Confident	90.4	Very high	24 Å²	24	41.7 Å²	41.7	15%	0.147	19%	0.189	C	C	.	.	H	α-helix	trans	-65	-23.5	-174	53.8	0	0	0	0	114.3	R697 I1119 E1218 D1219	R697-T1222 VanDerWaalsContact NH1-CB 3.26Å; R697-T1222 PolarHBondContact NH1-O 3.24Å; I1119-T1222 WeakPolarHBondContact CD1-O 3.47Å; E1218-T1222 HydrophobicContact CG-CG2 3.96Å; E1218-T1222 VanDerWaalsContact O-CB 3.29Å; E1218-T1222 WeakPolarHBondContact O-CB 3.39Å; E1218-T1222 VanDerWaalsContact O-CG2 3.23Å; E1218-T1222 WeakPolarHBondContact O-CG2 3.36Å; E1218-T1222 PolarHBondContact O-N 3.5Å; E1218-T1222 PolarHBondContact O-OG1 3.43Å; D1219-T1222 WeakPolarHBondContact CA-OG1 3.25Å; D1219-T1222 PolarHBondContact O-OG1 3.28Å
1223	R	88.8	Confident	90.3	Very high	134 Å²	134	39.9 Å²	39.9	51%	0.506	18%	0.177	S	C	.	.	H	α-helix	trans	-74.6	-29.1	177	-175	-177.1	-55.8	-177.5	2.6	113.8	G1122 S1123 D1219 R1221	G1122-R1223 WeakPolarHBondContact CA-O 3.16Å; S1123-R1223 PolarHBondContact N-O 3.19Å; D1219-R1223 VanDerWaalsContact O-CB 3.26Å; D1219-R1223 WeakPolarHBondContact O-CB 3.39Å; D1219-R1223 PolarHBondContact O-N 3.38Å; R1221-R1223 VanDerWaalsContact C-N 3.26Å; R1221-R1223 PolarHBondContact O-N 3.24Å
1224	F	89.9	Confident	90.1	Very high	11 Å²	11	42.9 Å²	42.9	5%	0.048	19%	0.19	C	C	.	.	H	α-helix	trans	-111	-31.4	-175.5	-71.7	-96	0	0	0	112.4	S1123 E1124 M1137 V1139 P1140 I1220 R1221	S1123-F1224 WeakPolarHBondContact O-CD1 3.47Å; E1124-F1224 WeakPolarHBondContact O-CE1 3.4Å; M1137-F1224 HydrophobicContact CE-CB 4.16Å; M1137-F1224 HydrophobicContact CE-CD1 4.46Å; M1137-F1224 HydrophobicContact SD-CB 4.25Å; V1139-F1224 HydrophobicContact CB-CD1 4.34Å; V1139-F1224 HydrophobicContact CB-CD2 4.41Å; V1139-F1224 HydrophobicContact CB-CG 4.25Å; V1139-F1224 HydrophobicContact CG1-CB 4.31Å; V1139-F1224 HydrophobicContact CG1-CD1 3.65Å; V1139-F1224 HydrophobicContact CG1-CD2 3.27Å; V1139-F1224 HydrophobicContact CG1-CE1 3.63Å; V1139-F1224 HydrophobicContact CG1-CE2 3.25Å; V1139-F1224 HydrophobicContact CG1-CG 3.47Å; V1139-F1224 VanDerWaalsContact CG1-CG 3.47Å; V1139-F1224 HydrophobicContact CG1-CZ 3.43Å; V1139-F1224 VanDerWaalsContact CG1-CZ 3.43Å; V1139-F1224 HydrophobicContact CG2-CB 3.73Å; V1139-F1224 HydrophobicContact CG2-CD1 4.06Å; V1139-F1224 HydrophobicContact CG2-CD2 4.29Å; V1139-F1224 HydrophobicContact CG2-CG 3.78Å; P1140-F1224 HydrophobicContact CG-CE1 4.06Å; P1140-F1224 HydrophobicContact CG-CZ 4.46Å; P1140-F1224 WeakPolarHBondContact O-CZ 3.03Å; I1220-F1224 WeakPolarHBondContact O-CD2 3.4Å; R1221-F1224 PolarHBondContact O-N 3.47Å
1225	A	88.6	Confident	90.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	19%	0.192	C	C	.	.			trans	-142	-159.5	-171.8	0	0	0	0	0	111.8	L8 R697 L1118 M1137 R1221	L8-A1225 HydrophobicContact CD2-CB 3.56Å; R697-A1225 PolarHBondContact NH2-O 2.9Å; L1118-A1225 HydrophobicContact CD1-CB 4.47Å; M1137-A1225 HydrophobicContact SD-CB 4.21Å; R1221-A1225 CarbonylContact O-C 3.35Å; R1221-A1225 WeakPolarHBondContact O-CA 3.46Å; R1221-A1225 PolarHBondContact O-N 2.92Å
1226	F	85.2	Confident	90	Very high	27 Å²	27	42.6 Å²	42.6	12%	0.118	18%	0.182	C	C	.	.			trans	-74.7	0	-167.5	-51.1	-40.9	0	0	0	114.2	L8 H440 R697 V778 F779 L1118 I1119 R1221	L8-F1226 HydrophobicContact CD1-CE2 4.18Å; L8-F1226 HydrophobicContact CD2-CD2 4.49Å; H440-F1226 HydrophobicContact CB-CD1 3.79Å; H440-F1226 HydrophobicContact CB-CD2 4.49Å; H440-F1226 HydrophobicContact CB-CE1 3.49Å; H440-F1226 VanDerWaalsContact CB-CE1 3.49Å; H440-F1226 HydrophobicContact CB-CE2 4.26Å; H440-F1226 HydrophobicContact CB-CG 4.28Å; H440-F1226 HydrophobicContact CB-CZ 3.76Å; H440-F1226 AromaticContact CD2-CD1 3.65Å; H440-F1226 AromaticContact CD2-CD2 3.93Å; H440-F1226 AromaticContact CD2-CG 3.46Å; H440-F1226 VanDerWaalsContact CD2-CG 3.46Å; H440-F1226 WeakPolarHBondContact CD2-CG 3.4Å; H440-F1226 AromaticContact CE1-CD1 3.52Å; H440-F1226 AromaticContact CE1-CG 3.76Å; H440-F1226 AromaticContact CG-CD1 3.26Å; H440-F1226 AromaticContact CG-CE1 3.56Å; H440-F1226 AromaticContact CG-CG 3.6Å; H440-F1226 AromaticContact ND1-CD1 3.19Å; H440-F1226 WeakPolarHBondContact ND1-CD1 3.17Å; H440-F1226 AromaticContact ND1-CE1 3.73Å; H440-F1226 AromaticContact ND1-CG 3.8Å; H440-F1226 WeakPolarHBondContact NE2-CB 3.4Å; H440-F1226 AromaticContact NE2-CD1 3.83Å; H440-F1226 AromaticContact NE2-CG 3.6Å; R697-F1226 PolarHBondContact NH2-OXT 2.85Å; V778-F1226 HydrophobicContact CG1-CB 4.4Å; V778-F1226 HydrophobicContact CG1-CD2 3.65Å; V778-F1226 HydrophobicContact CG1-CE2 4.42Å; V778-F1226 HydrophobicContact CG1-CG 4.33Å; F779-F1226 HydrophobicContact CE1-CD2 4.49Å; F779-F1226 AromaticContact CE1-CE2 3.5Å; F779-F1226 HydrophobicContact CE1-CE2 3.5Å; F779-F1226 VanDerWaalsContact CE1-CE2 3.5Å; F779-F1226 AromaticContact CE1-CZ 3.84Å; F779-F1226 HydrophobicContact CE1-CZ 3.84Å; F779-F1226 HydrophobicContact CE2-CE2 4.2Å; F779-F1226 HydrophobicContact CZ-CD2 4.25Å; F779-F1226 AromaticContact CZ-CE2 3.35Å; F779-F1226 HydrophobicContact CZ-CE2 3.35Å; F779-F1226 HydrophobicContact CZ-CZ 4.07Å; L1118-F1226 HydrophobicContact CB-CE1 4.05Å; L1118-F1226 HydrophobicContact CB-CZ 4.05Å; L1118-F1226 HydrophobicContact CD1-CE2 4.4Å; L1118-F1226 HydrophobicContact CD1-CZ 4.13Å; I1119-F1226 HydrophobicContact CG2-CD1 3.9Å; I1119-F1226 HydrophobicContact CG2-CE1 4.03Å; R1221-F1226 WeakPolarHBondContact CG-O 3.47Å

Retrieved 1,226 of 1,226 residues in 2945.2 ms (Link to these results)

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