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Splicing factor 3B subunit 3

Component of the 17S U2 SnRNP complex of the spliceosome, a large ribonucleoprotein complex that removes introns from transcribed pre-mRNAs. The 17S U2 SnRNP complex (1) directly participates in early spliceosome assembly and (2) mediates recognition of the intron branch site during pre-mRNA splicing by promoting the selection of the pre-mRNA branch-site adenosine, the nucleophile for the first step of splicing. Within the 17S U2 SnRNP complex, SF3B3 is part of the SF3B subcomplex, which is required for 'A' complex assembly formed by the stable binding of U2 snRNP to the branchpoint sequence in pre-mRNA. Sequence independent binding of SF3A and SF3B subcomplexes upstream of the branch site is essential, it may anchor U2 snRNP to the pre-mRNA. May also be involved in the assembly of the 'E' complex. Also acts as a component of the minor spliceosome, which is involved in the splicing of U12-type introns in pre-mRNAs.

AlphaFold DB , UniProt , Accession A0JN52, Species BOVIN (Bos taurus, Bovine), Gene SF3B3, Length 1,217 aa.

						>SF3B3_BOVIN|A0JN52|SF3B3
MFLYNLTLQRATGISFAIHGNFSGTKQQEIVVSRGKILELLRPDPNTGKVHTLLTVEVFGVIRSLMAFRLTGGTKDYIVVGSDSGRIVILEYQPSKNMFEKIHQETFGKSGCRRIVPGQFLAVDPKGRAVMISAIEKQKLVYILNRDAAARLTISSPLEAHKANTLVYHVVGVDVGFENPMFACLEMDYEEADNDPTGEAAANTQQTLTFYELDLGLNHVVRKYSEPLEEHGNFLITVPGGSDGPSGVLICSENYITYKNFGDQPDIRCPIPRRRNDLDDPERGMIFVCSATHKTKSMFFFLAQTEQGDIFKITLETDEDMVTEIRLKYFDTVPVAAAMCVLKTGFLFVASEFGNHYLYQIAHLGDDDEEPEFSSAMPLEEGDTFFFQPRPLKNLVLVDELDSLSPILFCQIADLANEDTPQLYVACGRGPRSSLRVLRHGLEVSEMAVSELPGNPNAVWTVRRHIEDEFDAYIIVSFVNATLVLSIGETVEEVTDSGFLGTTPTLSCSLLGDDALVQVYPDGIRHIRADKRVNEWKTPGKKTIVKCAVNQRQVVIALTGGELVYFEMDPSGQLNEYTERKEMSADVVCMSLANVPPGEQRSRFLAVGLVDNTVRIISLDPSDCLQPLSMQALPAQPESLCIVEMGGTEKQDELGERGSIGFLYLNIGLQNGVLLRTVLDPVTGDLSDTRTRYLGSRPVKLFRVRMQGQEAVLAMSSRSWLSYSYQSRFHLTPLSYETLEFASGFASEQCPEGIVAISTNTLRILALEKLGAVFNQVAFPLQYTPRKFVIHPESNNLIIIETDHNAYTEATKAQRKQQMAEEMVEAAGEDERELAAEMAAAFLNENLPESIFGAPKAGNGQWASVIRVMNPIQGNTLDLVQLEQNEAAFSVAVCRFSNTGEDWYVLVGVAKDLILNPRSVAGGFVYTYKLVNNGEKLEFLHKTPVEEVPAAIAPFQGRVLIGVGKLLRVYDLGKKKLLRKCENKHIANYISGIQTIGHRVIVSDVQESFIWVRYKRNENQLIIFADDTYPRWVTTASLLDYDTVAGADKFGNICVVRLPPNTNDEVDEDPTGNKALWDRGLLNGASQKAEVIMNYHVGETVLSLQKTTLIPGGSESLVYTTLSGGIGILVPFTSHEDHDFFQHVEMHLRSEHPPLCGRDHLSFRSYYFPVKNVIDGDLCEQFNSMEPNKQKNVSEELDRTPPEVSKKLEDIRTRYAF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	89.3	Confident	94.7	Very high	102 Å²	102	34.2 Å²	34.2	50%	0.502	16%	0.158	S	C	.	.				0	119.1	0	179.4	172.9	-176.8	0	0	106.9	L3 L1039 I1092 N1172	M1-L3 HydrophobicContact CE-CD1 4.07Å; M1-L3 HydrophobicContact CE-CD2 3.54Å; M1-L3 HydrophobicContact CE-CG 4.18Å; M1-L3 HydrophobicContact CG-CD2 4.15Å; M1-L3 HydrophobicContact CG-CG 4.41Å; M1-L1039 HydrophobicContact CE-CD1 4.14Å; M1-I1092 HydrophobicContact CB-CD1 4.42Å; M1-I1092 HydrophobicContact SD-CD1 4.19Å; M1-N1172 WeakPolarHBondContact O-CB 3.5Å
2	F	95.9	Very high	94.8	Very high	78 Å²	78	32.7 Å²	32.7	34%	0.342	15%	0.153	S	C	.	.			trans	-116.7	139.4	172.8	-64.7	-81.3	0	0	0	108.1	F1132 H1138 N1172	F2-F1132 HydrophobicContact CB-CD2 3.86Å; F2-F1132 PolarHBondContact O-N 3.24Å; F2-H1138 VanDerWaalsContact CB-CD2 3.47Å; F2-H1138 WeakPolarHBondContact CB-CD2 3.18Å; F2-H1138 AromaticContact CD1-CD2 3.74Å; F2-H1138 AromaticContact CD1-CE1 3.85Å; F2-H1138 AromaticContact CD1-NE2 3.17Å; F2-H1138 WeakPolarHBondContact CD1-NE2 3.27Å; F2-H1138 AromaticContact CE1-CE1 3.88Å; F2-H1138 AromaticContact CE1-NE2 3.62Å; F2-H1138 AromaticContact CG-CD2 3.53Å; F2-H1138 AromaticContact CG-NE2 3.47Å; F2-H1138 WeakPolarHBondContact CG-NE2 3.48Å; F2-N1172 WeakPolarHBondContact CA-O 3.38Å; F2-N1172 HydrophobicContact CD1-CB 3.78Å; F2-N1172 HydrophobicContact CE1-CB 4.15Å; F2-N1172 VanDerWaalsContact CE1-OD1 3.25Å; F2-N1172 WeakPolarHBondContact CE1-OD1 3.23Å
3	L	97.3	Very high	94.9	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	152.5	-176.4	-60.1	179.2	0	0	0	111.6	M1 M1093 L1129 V1130 P1131 N1172 V1173 I1174	M1-L3 HydrophobicContact CE-CD1 4.07Å; M1-L3 HydrophobicContact CE-CD2 3.54Å; M1-L3 HydrophobicContact CE-CG 4.18Å; M1-L3 HydrophobicContact CG-CD2 4.15Å; M1-L3 HydrophobicContact CG-CG 4.41Å; L3-M1093 HydrophobicContact CD1-CE 3.73Å; L3-M1093 HydrophobicContact CD1-CG 3.77Å; L3-M1093 HydrophobicContact CD1-SD 4.32Å; L3-M1093 HydrophobicContact CG-CG 4.44Å; L3-L1129 HydrophobicContact CB-CB 4.5Å; L3-L1129 HydrophobicContact CB-CD2 4.3Å; L3-L1129 HydrophobicContact CD1-CB 4.01Å; L3-L1129 HydrophobicContact CD1-CD1 4.38Å; L3-L1129 HydrophobicContact CD1-CD2 4.4Å; L3-V1130 CarbonylContact C-O 3.6Å; L3-V1130 WeakPolarHBondContact CA-O 3.37Å; L3-P1131 HydrophobicContact CD2-CB 3.95Å; L3-N1172 PolarHBondContact N-O 3.33Å; L3-V1173 HydrophobicContact CB-CG1 4.49Å; L3-V1173 HydrophobicContact CB-CG2 4.24Å; L3-V1173 CarbonylContact O-C 3.54Å; L3-V1173 WeakPolarHBondContact O-CA 3.47Å; L3-I1174 PolarHBondContact O-N 3.31Å
4	Y	97.3	Very high	95.1	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.4	169.1	-175.4	-98.7	0	0	0	108.7	L6 L1129 V1130 F1132 F1141 I1174 G1176 C1179 I1211	Y4-L6 HydrophobicContact CD1-CB 4.36Å; Y4-L6 HydrophobicContact CE1-CB 4.18Å; Y4-L1129 WeakPolarHBondContact O-CA 3.49Å; Y4-V1130 PolarHBondContact N-O 3.42Å; Y4-V1130 PolarHBondContact O-N 2.97Å; Y4-F1132 AromaticContact CD2-CZ 3.9Å; Y4-F1132 HydrophobicContact CD2-CZ 3.9Å; Y4-F1132 HydrophobicContact CG-CZ 4.21Å; Y4-F1141 HydrophobicContact CD2-CD1 4.47Å; Y4-F1141 HydrophobicContact CD2-CG 4.38Å; Y4-F1141 HydrophobicContact CE2-CB 4.47Å; Y4-F1141 AromaticContact CE2-CD1 3.79Å; Y4-F1141 HydrophobicContact CE2-CD1 3.79Å; Y4-F1141 HydrophobicContact CE2-CE1 4.19Å; Y4-F1141 HydrophobicContact CE2-CG 4.13Å; Y4-I1174 HydrophobicContact CD2-CB 4.23Å; Y4-I1174 HydrophobicContact CD2-CG2 4.02Å; Y4-I1174 HydrophobicContact CE2-CG2 4.26Å; Y4-G1176 VanDerWaalsContact OH-CA 3.23Å; Y4-G1176 WeakPolarHBondContact OH-CA 3.47Å; Y4-G1176 PolarHBondContact OH-O 3.15Å; Y4-C1179 HydrophobicContact CE2-CB 4.21Å; Y4-I1211 HydrophobicContact CD1-CD1 3.78Å; Y4-I1211 HydrophobicContact CD1-CG1 4.34Å; Y4-I1211 HydrophobicContact CD2-CD1 4.16Å; Y4-I1211 HydrophobicContact CE1-CD1 4.25Å; Y4-I1211 HydrophobicContact CE1-CG2 4.02Å; Y4-I1211 HydrophobicContact CG-CD1 3.72Å
5	N	97.5	Very high	95.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130.2	177.2	175.9	77.1	0	0	0	110.7	Y1095 Y1119 I1128 L1129 V1173 I1174 G1176 D1177	N5-Y1095 HydrophobicContact CB-CD1 4.49Å; N5-Y1095 HydrophobicContact CB-CE1 3.84Å; N5-Y1095 HydrophobicContact CB-CE2 4.41Å; N5-Y1095 PolarHBondContact ND2-OH 2.87Å; N5-Y1119 PolarHBondContact OD1-OH 3.07Å; N5-Y1119 VanDerWaalsContact OD1-OH 3.06Å; N5-I1128 WeakPolarHBondContact CA-O 3.17Å; N5-L1129 HydrophobicContact CB-CD2 3.75Å; N5-V1173 HydrophobicContact CB-CG1 3.94Å; N5-I1174 PolarHBondContact N-O 2.79Å; N5-G1176 WeakPolarHBondContact O-CA 3.2Å; N5-G1176 PolarHBondContact O-N 2.92Å; N5-D1177 PolarHBondContact ND2-OD2 2.91Å
6	L	94.9	Very high	95.3	Very high	11 Å²	11	32.8 Å²	32.8	6%	0.058	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	131.6	174.5	179	70	0	0	0	110.7	Y4 L8 G1127 I1128 E1180 R1212	Y4-L6 HydrophobicContact CD1-CB 4.36Å; Y4-L6 HydrophobicContact CE1-CB 4.18Å; L6-L8 HydrophobicContact CD2-CD2 4.04Å; L6-L8 HydrophobicContact CG-CD2 4.38Å; L6-G1127 CarbonylContact O-C 3.3Å; L6-G1127 VanDerWaalsContact O-CA 3.24Å; L6-G1127 WeakPolarHBondContact O-CA 3.39Å; L6-I1128 HydrophobicContact CB-CG2 3.8Å; L6-I1128 HydrophobicContact CD2-CG2 4.43Å; L6-I1128 HydrophobicContact CG-CG2 4.46Å; L6-I1128 PolarHBondContact N-O 3.42Å; L6-I1128 WeakPolarHBondContact O-CG2 3.19Å; L6-I1128 PolarHBondContact O-N 2.83Å; L6-E1180 HydrophobicContact CD1-CG 3.93Å; L6-R1212 HydrophobicContact CD2-CB 4.28Å; L6-R1212 HydrophobicContact CD2-CG 3.94Å
7	T	94.5	Very high	95.5	Very high	31 Å²	31	31.6 Å²	31.6	19%	0.19	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	120.5	170.5	-64	0	0	0	0	109.9	Q9 R10 D1177	T7-Q9 WeakPolarHBondContact CG2-O 3.28Å; T7-R10 HydrophobicContact CG2-CG 4.15Å; T7-D1177 VanDerWaalsContact CB-OD1 3.25Å; T7-D1177 WeakPolarHBondContact CB-OD1 3.15Å; T7-D1177 PolarHBondContact N-OD1 3.08Å; T7-D1177 VanDerWaalsContact OG1-CG 3.32Å; T7-D1177 PolarHBondContact OG1-OD1 3.34Å; T7-D1177 PolarHBondContact OG1-OD2 3.25Å
8	L	93	Very high	95.6	Very high	11 Å²	11	30.7 Å²	30.7	6%	0.058	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-42.5	176.9	-59	-176.7	0	0	0	111.7	L6 V773 F774 L1109 I1126 I1128 A1216 F1217	L6-L8 HydrophobicContact CD2-CD2 4.04Å; L6-L8 HydrophobicContact CG-CD2 4.38Å; L8-V773 WeakPolarHBondContact O-CG2 3.49Å; L8-F774 HydrophobicContact CB-CE2 4.19Å; L8-F774 HydrophobicContact CB-CZ 4.39Å; L8-F774 HydrophobicContact CD1-CZ 4.5Å; L8-L1109 HydrophobicContact CD1-CD1 3.49Å; L8-L1109 VanDerWaalsContact CD1-CD1 3.49Å; L8-I1126 PolarHBondContact N-O 2.97Å; L8-I1128 HydrophobicContact CD1-CB 4.26Å; L8-I1128 HydrophobicContact CD1-CG2 4.29Å; L8-I1128 HydrophobicContact CD2-CG2 3.92Å; L8-I1128 HydrophobicContact CG-CB 4.44Å; L8-I1128 HydrophobicContact CG-CG2 4.04Å; L8-A1216 HydrophobicContact CD1-CB 4.45Å; L8-A1216 HydrophobicContact CD2-CB 3.53Å; L8-F1217 HydrophobicContact CD2-CZ 4.07Å
9	Q	93.1	Very high	95.7	Very high	36 Å²	36	32.3 Å²	32.3	17%	0.168	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.2	172.2	179	171.7	-20.9	0	0	108.2	T7 F774 G1125 I1126	T7-Q9 WeakPolarHBondContact CG2-O 3.28Å; Q9-F774 HydrophobicContact CB-CD2 4.2Å; Q9-F774 HydrophobicContact CB-CE2 4.16Å; Q9-G1125 CarbonylContact O-C 3.56Å; Q9-G1125 WeakPolarHBondContact O-CA 2.85Å; Q9-I1126 HydrophobicContact CB-CB 4Å; Q9-I1126 HydrophobicContact CB-CD1 4.16Å; Q9-I1126 HydrophobicContact CB-CG1 4.09Å; Q9-I1126 PolarHBondContact N-O 2.8Å; Q9-I1126 PolarHBondContact O-N 3.18Å
10	R	93.9	Very high	95.7	Very high	100 Å²	100	30.7 Å²	30.7	38%	0.377	16%	0.155	S	C	.	.			trans	-66.6	157.1	177.9	-71.3	172.3	179.4	154.5	-0.8	110.7	T7 T12 I37 T55	T7-R10 HydrophobicContact CG2-CG 4.15Å; R10-T12 PolarHBondContact O-N 3.19Å; R10-I37 HydrophobicContact CB-CD1 3.65Å; R10-I37 HydrophobicContact CG-CD1 3.76Å; R10-T55 PolarHBondContact NH1-OG1 3.02Å
11	A	95.2	Very high	95.7	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.033	15%	0.149	C	C	.	.			trans	-52	137.5	169.4	0	0	0	0	0	110.4	R34 E1099 S1123	A11-R34 HydrophobicContact CB-CB 4.42Å; A11-R34 WeakPolarHBondContact O-CD 3.5Å; A11-E1099 WeakPolarHBondContact CB-OE1 3.48Å; A11-S1123 CarbonylContact C-O 3.55Å; A11-S1123 WeakPolarHBondContact CA-O 3.39Å
12	T	95.1	Very high	96.1	Very high	16 Å²	16	24.7 Å²	24.7	10%	0.098	13%	0.125	C	C	.	.			trans	-108.2	-14.9	-179.5	63.7	0	0	0	0	112.1	R10 I14 R34 H356 S403 L404 S1123	R10-T12 PolarHBondContact O-N 3.19Å; T12-I14 PolarHBondContact O-N 3.34Å; T12-R34 PolarHBondContact O-NH1 2.85Å; T12-H356 PolarHBondContact O-NE2 2.9Å; T12-S403 WeakPolarHBondContact CB-OG 3.37Å; T12-S403 PolarHBondContact O-OG 3.31Å; T12-S403 VanDerWaalsContact OG1-CA 3.26Å; T12-S403 WeakPolarHBondContact OG1-CA 3.18Å; T12-S403 WeakPolarHBondContact OG1-CB 3.38Å; T12-S403 PolarHBondContact OG1-OG 2.94Å; T12-L404 PolarHBondContact OG1-N 3.02Å; T12-S1123 PolarHBondContact N-O 2.79Å
13	G	96.6	Very high	96	Very high	8 Å²	8	21.5 Å²	21.5	8%	0.082	11%	0.112	C	C	.	.			trans	-67.4	131.3	174.4	0	0	0	0	0	112	R34 S1123	G13-R34 VanDerWaalsContact O-CA 3.27Å; G13-R34 WeakPolarHBondContact O-CA 3.45Å; G13-R34 VanDerWaalsContact O-CB 3.25Å; G13-R34 WeakPolarHBondContact O-CB 3.25Å; G13-R34 WeakPolarHBondContact O-CG 3.47Å; G13-S1123 PolarHBondContact N-O 2.95Å
14	I	98	Very high	95.8	Very high	7 Å²	7	22.9 Å²	22.9	4%	0.036	13%	0.127	C	C	.	.			trans	-96	122.6	175.2	-63.7	171.9	0	0	0	109.3	T12 F16 A17 V32 S33 R34 F348 A350 H356	T12-I14 PolarHBondContact O-N 3.34Å; I14-F16 WeakPolarHBondContact CG2-O 3.48Å; I14-A17 HydrophobicContact CG2-CB 4.34Å; I14-V32 HydrophobicContact CD1-CB 4.24Å; I14-V32 HydrophobicContact CD1-CG1 4.1Å; I14-V32 HydrophobicContact CD1-CG2 4.41Å; I14-V32 HydrophobicContact CG1-CB 4.31Å; I14-V32 HydrophobicContact CG1-CG2 4.47Å; I14-V32 HydrophobicContact CG2-CB 4.05Å; I14-V32 HydrophobicContact CG2-CG1 4.37Å; I14-S33 CarbonylContact C-O 3.57Å; I14-S33 WeakPolarHBondContact CA-O 3.18Å; I14-R34 HydrophobicContact CG1-CG 4.3Å; I14-F348 HydrophobicContact CD1-CE1 4.29Å; I14-F348 HydrophobicContact CD1-CZ 3.92Å; I14-A350 HydrophobicContact CB-CB 4.12Å; I14-A350 HydrophobicContact CD1-CB 4.21Å; I14-A350 HydrophobicContact CG2-CB 3.78Å; I14-H356 HydrophobicContact CD1-CB 4.39Å; I14-H356 VanDerWaalsContact CD1-CD2 3.48Å; I14-H356 WeakPolarHBondContact CD1-CD2 3.45Å
15	S	95.4	Very high	95.3	Very high	57 Å²	57	26.6 Å²	26.6	40%	0.399	15%	0.15	S	C	.	.	S	Bend	trans	-93.2	-31.7	175.9	-52.5	0	0	0	0	112.8	S33	S15-S33 PolarHBondContact N-O 2.94Å
16	F	97.8	Very high	94.8	Very high	61 Å²	61	35.7 Å²	35.7	27%	0.268	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143.9	178.2	-55.9	-78.8	0	0	0	109.9	I14 V32 S33 I62 R63 L65	I14-F16 WeakPolarHBondContact CG2-O 3.48Å; F16-V32 CarbonylContact O-C 3.59Å; F16-V32 VanDerWaalsContact O-CA 3.31Å; F16-V32 WeakPolarHBondContact O-CA 3.37Å; F16-S33 PolarHBondContact O-N 2.96Å; F16-I62 HydrophobicContact CD2-CG2 4.27Å; F16-R63 VanDerWaalsContact CZ-C 3.49Å; F16-R63 WeakPolarHBondContact CZ-O 3.32Å; F16-L65 HydrophobicContact CB-CB 3.99Å; F16-L65 HydrophobicContact CB-CD2 4.19Å; F16-L65 HydrophobicContact CG-CB 4.39Å
17	A	98.2	Very high	94.4	Very high	13 Å²	13	39.5 Å²	39.5	11%	0.107	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	136.4	170.3	0	0	0	0	0	110.3	I14 I30 V31 V32 A338 F348 A350	I14-A17 HydrophobicContact CG2-CB 4.34Å; A17-I30 HydrophobicContact CB-CG2 4.37Å; A17-V31 WeakPolarHBondContact CA-O 3.47Å; A17-V32 HydrophobicContact CB-CG1 3.91Å; A17-A338 HydrophobicContact CB-CB 3.72Å; A17-F348 HydrophobicContact CB-CD1 4.47Å; A17-F348 HydrophobicContact CB-CE1 4.21Å; A17-A350 HydrophobicContact CB-CB 4.29Å
18	I	98.1	Very high	94.4	Very high	15 Å²	15	39.1 Å²	39.1	8%	0.077	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	153.9	174.6	60.2	170	0	0	0	108.9	F22 I30 V31 L65 A67 I78	I18-F22 HydrophobicContact CD1-CE1 4.35Å; I18-F22 HydrophobicContact CD1-CZ 3.85Å; I18-F22 HydrophobicContact CG1-CZ 4.04Å; I18-I30 CarbonylContact O-C 3.42Å; I18-I30 VanDerWaalsContact O-CA 3.28Å; I18-I30 WeakPolarHBondContact O-CA 3.43Å; I18-I30 WeakPolarHBondContact O-CG2 3.33Å; I18-V31 HydrophobicContact CD1-CB 4.19Å; I18-V31 HydrophobicContact CG1-CB 3.81Å; I18-V31 PolarHBondContact N-O 3.14Å; I18-V31 PolarHBondContact O-N 2.62Å; I18-L65 HydrophobicContact CD1-CD1 4.07Å; I18-L65 HydrophobicContact CD1-CD2 4.11Å; I18-L65 HydrophobicContact CD1-CG 3.7Å; I18-L65 HydrophobicContact CG1-CD2 3.93Å; I18-L65 HydrophobicContact CG1-CG 4.01Å; I18-L65 HydrophobicContact CG2-CD2 4.42Å; I18-L65 HydrophobicContact CG2-CG 4.17Å; I18-L65 WeakPolarHBondContact CG2-O 3.34Å; I18-A67 HydrophobicContact CB-CB 4.43Å; I18-A67 HydrophobicContact CD1-CB 3.99Å; I18-I78 HydrophobicContact CD1-CG1 4.28Å; I18-I78 HydrophobicContact CD1-CG2 4.01Å
19	H	97.2	Very high	94.6	Very high	60 Å²	60	38.6 Å²	38.6	28%	0.278	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	153.1	175.1	73.9	-86	0	0	0	111.3	Q28 E29 I30 C340 V341 L342	H19-Q28 PolarHBondContact CD2-NE2 2.92Å; H19-Q28 VanDerWaalsContact CD2-NE2 3.34Å; H19-E29 VanDerWaalsContact CA-O 3.28Å; H19-E29 WeakPolarHBondContact CA-O 3.47Å; H19-I30 HydrophobicContact CB-CG1 4.27Å; H19-C340 HydrophobicContact CB-CB 4.04Å; H19-V341 PolarHBondContact NE2-O 3.24Å; H19-L342 HydrophobicContact CB-CD2 3.59Å
20	G	96	Very high	94.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	163.9	-176.3	0	0	0	0	0	112.3	F22 Q28 E29 D76	G20-F22 VanDerWaalsContact N-CE2 3.29Å; G20-F22 WeakPolarHBondContact O-CD2 3.22Å; G20-F22 PolarHBondContact O-N 2.84Å; G20-F22 VanDerWaalsContact O-N 3.09Å; G20-Q28 WeakPolarHBondContact O-CA 3.45Å; G20-E29 PolarHBondContact N-O 3.13Å; G20-E29 PolarHBondContact O-N 2.59Å; G20-D76 WeakPolarHBondContact CA-OD2 2.93Å
21	N	96.1	Very high	95	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.037	18%	0.175	C	C	.	.			trans	-80	70.8	167	-177.7	20.8	0	0	0	109.2	G24 T25 K26 Q27 T74 D76	N21-G24 PolarHBondContact O-N 3.27Å; N21-G24 VanDerWaalsContact OD1-C 3.3Å; N21-G24 VanDerWaalsContact OD1-CA 3.27Å; N21-G24 WeakPolarHBondContact OD1-CA 3.39Å; N21-G24 PolarHBondContact OD1-N 3.48Å; N21-T25 PolarHBondContact OD1-N 3.2Å; N21-K26 PolarHBondContact ND2-N 2.72Å; N21-K26 PolarHBondContact OD1-N 3.12Å; N21-Q27 WeakPolarHBondContact CA-O 3.28Å; N21-Q27 PolarHBondContact OD1-O 3.34Å; N21-T74 PolarHBondContact ND2-O 3.2Å; N21-D76 PolarHBondContact N-OD2 2.75Å; N21-D76 PolarHBondContact O-N 2.96Å
22	F	97.5	Very high	95.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.			trans	-74.6	-28.9	-176.7	-60.1	-64.9	0	0	0	111.5	I18 G20 E29 V31 L40 A67 K75 D76 I78 Y92	I18-F22 HydrophobicContact CD1-CE1 4.35Å; I18-F22 HydrophobicContact CD1-CZ 3.85Å; I18-F22 HydrophobicContact CG1-CZ 4.04Å; G20-F22 VanDerWaalsContact N-CE2 3.29Å; G20-F22 WeakPolarHBondContact O-CD2 3.22Å; G20-F22 PolarHBondContact O-N 2.84Å; G20-F22 VanDerWaalsContact O-N 3.09Å; F22-E29 HydrophobicContact CD2-CB 4.08Å; F22-E29 PolarHBondContact N-OE2 3.12Å; F22-V31 HydrophobicContact CD2-CG2 3.61Å; F22-V31 HydrophobicContact CE1-CG2 4.39Å; F22-V31 HydrophobicContact CE2-CB 4.19Å; F22-V31 HydrophobicContact CE2-CG2 3.44Å; F22-V31 VanDerWaalsContact CE2-CG2 3.44Å; F22-V31 HydrophobicContact CG-CG2 4.17Å; F22-V31 HydrophobicContact CZ-CB 4.43Å; F22-V31 HydrophobicContact CZ-CG2 3.87Å; F22-L40 HydrophobicContact CB-CD1 4.46Å; F22-L40 HydrophobicContact CD2-CD1 4.04Å; F22-A67 HydrophobicContact CE1-CB 3.99Å; F22-A67 HydrophobicContact CZ-CB 3.92Å; F22-K75 WeakPolarHBondContact O-CE 3.43Å; F22-D76 HydrophobicContact CD1-CB 3.97Å; F22-D76 WeakPolarHBondContact CD1-O 3.45Å; F22-D76 HydrophobicContact CE1-CB 3.99Å; F22-I78 HydrophobicContact CD1-CD1 4Å; F22-I78 HydrophobicContact CD1-CG1 3.65Å; F22-I78 HydrophobicContact CE1-CD1 4.14Å; F22-I78 HydrophobicContact CE1-CG1 3.39Å; F22-I78 HydrophobicContact CZ-CG1 4.16Å; F22-Y92 HydrophobicContact CB-CD1 4.49Å
23	S	94.3	Very high	95.3	Very high	10 Å²	10	31.2 Å²	31.2	7%	0.07	17%	0.168	C	C	.	.	S	Bend	trans	-78.2	-19.1	174.9	63.7	0	0	0	0	114.3	T25 E29	S23-T25 VanDerWaalsContact C-N 3.29Å; S23-T25 PolarHBondContact OG-N 3.44Å; S23-T25 PolarHBondContact OG-OG1 3.29Å; S23-E29 WeakPolarHBondContact CB-OE1 3.47Å; S23-E29 PolarHBondContact N-OE2 3.46Å; S23-E29 PolarHBondContact OG-OE1 2.91Å; S23-E29 PolarHBondContact OG-OE2 2.72Å
24	G	91.7	Very high	95.3	Very high	31 Å²	31	31.7 Å²	31.7	32%	0.32	17%	0.168	S	C	.	.	S	Bend	trans	79	7.7	-174.5	0	0	0	0	0	114.3	N21	N21-G24 PolarHBondContact O-N 3.27Å; N21-G24 VanDerWaalsContact OD1-C 3.3Å; N21-G24 VanDerWaalsContact OD1-CA 3.27Å; N21-G24 WeakPolarHBondContact OD1-CA 3.39Å; N21-G24 PolarHBondContact OD1-N 3.48Å
25	T	87.3	Confident	95.1	Very high	80 Å²	80	32.2 Å²	32.2	49%	0.491	18%	0.175	S	C	.	.	S	Bend	trans	-92.6	7.8	-176.8	64.1	0	0	0	0	114.4	N21 S23 Q27	N21-T25 PolarHBondContact OD1-N 3.2Å; S23-T25 VanDerWaalsContact C-N 3.29Å; S23-T25 PolarHBondContact OG-N 3.44Å; S23-T25 PolarHBondContact OG-OG1 3.29Å; T25-Q27 PolarHBondContact O-N 2.67Å
26	K	86.1	Confident	95	Very high	190 Å²	190	29.9 Å²	29.9	83%	0.826	16%	0.157	S	C	*	.	S	Bend	trans	74.1	-18.1	-171.8	-53.5	177	179.3	174	0	114.5	N21	N21-K26 PolarHBondContact ND2-N 2.72Å; N21-K26 PolarHBondContact OD1-N 3.12Å
27	Q	87.6	Confident	95	Very high	92 Å²	92	27.1 Å²	27.1	43%	0.43	15%	0.145	S	C	.	.			trans	-65.5	144.8	169	-65.3	-176.2	-10	0	0	109.6	N21 T25	N21-Q27 WeakPolarHBondContact CA-O 3.28Å; N21-Q27 PolarHBondContact OD1-O 3.34Å; T25-Q27 PolarHBondContact O-N 2.67Å
28	Q	93.8	Very high	94.9	Very high	23 Å²	23	26.5 Å²	26.5	11%	0.107	14%	0.14	C	C	.	.			trans	-96.8	128.6	174.1	-75.2	-175.4	-46.6	0	0	109.6	H19 G20 L342	H19-Q28 PolarHBondContact CD2-NE2 2.92Å; H19-Q28 VanDerWaalsContact CD2-NE2 3.34Å; G20-Q28 WeakPolarHBondContact O-CA 3.45Å; Q28-L342 HydrophobicContact CB-CD2 4.31Å
29	E	97.1	Very high	94.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	164.9	169.5	-61.8	98.7	175.5	0	0	110	H19 G20 F22 S23 L40 L41 R42 L53	H19-E29 VanDerWaalsContact CA-O 3.28Å; H19-E29 WeakPolarHBondContact CA-O 3.47Å; G20-E29 PolarHBondContact N-O 3.13Å; G20-E29 PolarHBondContact O-N 2.59Å; F22-E29 HydrophobicContact CD2-CB 4.08Å; F22-E29 PolarHBondContact N-OE2 3.12Å; S23-E29 WeakPolarHBondContact CB-OE1 3.47Å; S23-E29 PolarHBondContact N-OE2 3.46Å; S23-E29 PolarHBondContact OG-OE1 2.91Å; S23-E29 PolarHBondContact OG-OE2 2.72Å; E29-L40 HydrophobicContact CB-CD1 3.68Å; E29-L40 HydrophobicContact CB-CG 4.39Å; E29-L40 HydrophobicContact CG-CD1 4.44Å; E29-L41 WeakPolarHBondContact CA-O 3.48Å; E29-L41 WeakPolarHBondContact CB-O 3.42Å; E29-R42 HydrophobicContact CG-CB 4.35Å; E29-R42 IonicContact OE1-CZ 2.77Å; E29-R42 IonicContact OE1-NE 3.77Å; E29-R42 IonicContact OE1-NH2 3.37Å; E29-R42 PolarHBondContact OE1-NH2 3.01Å; E29-L53 HydrophobicContact CG-CD1 4.3Å
30	I	98.2	Very high	94.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.1	177.6	-55.9	166.8	0	0	0	107.6	A17 I18 H19 V32 L41 P43 L342 F348	A17-I30 HydrophobicContact CB-CG2 4.37Å; I18-I30 CarbonylContact O-C 3.42Å; I18-I30 VanDerWaalsContact O-CA 3.28Å; I18-I30 WeakPolarHBondContact O-CA 3.43Å; I18-I30 WeakPolarHBondContact O-CG2 3.33Å; H19-I30 HydrophobicContact CB-CG1 4.27Å; I30-V32 HydrophobicContact CG2-CG1 3.74Å; I30-L41 HydrophobicContact CB-CB 4.28Å; I30-L41 PolarHBondContact N-O 3.21Å; I30-L41 PolarHBondContact O-N 2.78Å; I30-P43 HydrophobicContact CD1-CG 3.84Å; I30-P43 HydrophobicContact CG1-CG 4.49Å; I30-L342 HydrophobicContact CD1-CD1 4.25Å; I30-L342 HydrophobicContact CG1-CD2 4.18Å; I30-F348 HydrophobicContact CD1-CB 3.59Å; I30-F348 HydrophobicContact CD1-CD1 3.88Å; I30-F348 HydrophobicContact CD1-CD2 4.15Å; I30-F348 HydrophobicContact CD1-CG 3.61Å; I30-F348 HydrophobicContact CG2-CD1 4.02Å; I30-F348 HydrophobicContact CG2-CE1 4.15Å
31	V	98.5	Very high	94.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125	170.1	177.9	0	0	0	0	107.9	A17 I18 F22 L38 E39 L40 L65 I78 F99	A17-V31 WeakPolarHBondContact CA-O 3.47Å; I18-V31 HydrophobicContact CD1-CB 4.19Å; I18-V31 HydrophobicContact CG1-CB 3.81Å; I18-V31 PolarHBondContact N-O 3.14Å; I18-V31 PolarHBondContact O-N 2.62Å; F22-V31 HydrophobicContact CD2-CG2 3.61Å; F22-V31 HydrophobicContact CE1-CG2 4.39Å; F22-V31 HydrophobicContact CE2-CB 4.19Å; F22-V31 HydrophobicContact CE2-CG2 3.44Å; F22-V31 VanDerWaalsContact CE2-CG2 3.44Å; F22-V31 HydrophobicContact CG-CG2 4.17Å; F22-V31 HydrophobicContact CZ-CB 4.43Å; F22-V31 HydrophobicContact CZ-CG2 3.87Å; V31-L38 HydrophobicContact CG1-CD1 3.5Å; V31-L38 VanDerWaalsContact CG1-CD1 3.5Å; V31-L38 HydrophobicContact CG1-CD2 4.41Å; V31-L38 HydrophobicContact CG1-CG 3.89Å; V31-E39 CarbonylContact C-O 3.54Å; V31-E39 WeakPolarHBondContact CA-O 3.41Å; V31-L40 HydrophobicContact CG2-CD1 3.49Å; V31-L40 VanDerWaalsContact CG2-CD1 3.49Å; V31-L65 HydrophobicContact CG1-CD2 4.12Å; V31-I78 HydrophobicContact CG1-CD1 4.31Å; V31-I78 HydrophobicContact CG2-CD1 3.7Å; V31-I78 HydrophobicContact CG2-CG1 4.32Å; V31-F99 HydrophobicContact CG2-CZ 4.4Å
32	V	98.4	Very high	94.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	145.3	179	-54.8	0	0	0	0	110.9	I14 F16 A17 I30 E39 L41 F348	I14-V32 HydrophobicContact CD1-CB 4.24Å; I14-V32 HydrophobicContact CD1-CG1 4.1Å; I14-V32 HydrophobicContact CD1-CG2 4.41Å; I14-V32 HydrophobicContact CG1-CB 4.31Å; I14-V32 HydrophobicContact CG1-CG2 4.47Å; I14-V32 HydrophobicContact CG2-CB 4.05Å; I14-V32 HydrophobicContact CG2-CG1 4.37Å; F16-V32 CarbonylContact O-C 3.59Å; F16-V32 VanDerWaalsContact O-CA 3.31Å; F16-V32 WeakPolarHBondContact O-CA 3.37Å; A17-V32 HydrophobicContact CB-CG1 3.91Å; I30-V32 HydrophobicContact CG2-CG1 3.74Å; V32-E39 HydrophobicContact CG2-CB 3.77Å; V32-E39 HydrophobicContact CG2-CG 4.4Å; V32-E39 PolarHBondContact N-O 2.96Å; V32-E39 PolarHBondContact O-N 3.26Å; V32-L41 HydrophobicContact CG1-CD1 3.78Å; V32-L41 HydrophobicContact CG1-CG 4.47Å; V32-L41 HydrophobicContact CG2-CD1 4.05Å; V32-L41 HydrophobicContact CG2-CG 4.29Å; V32-F348 HydrophobicContact CG1-CE1 4.1Å
33	S	97.8	Very high	94.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.7	169.7	175.1	0	0	0	0	109.7	I14 S15 F16 I37 I62	I14-S33 CarbonylContact C-O 3.57Å; I14-S33 WeakPolarHBondContact CA-O 3.18Å; S15-S33 PolarHBondContact N-O 2.94Å; F16-S33 PolarHBondContact O-N 2.96Å; S33-I37 WeakPolarHBondContact CA-O 3.45Å; S33-I62 WeakPolarHBondContact OG-CB 3.31Å; S33-I62 WeakPolarHBondContact OG-CD1 3.4Å; S33-I62 WeakPolarHBondContact OG-CG2 3.44Å
34	R	96.4	Very high	94.2	Very high	19 Å²	19	28.7 Å²	28.7	7%	0.072	15%	0.148	C	C	.	.			trans	-112	57.4	171.9	-52	-170.4	-167.1	-105.3	7.8	109.9	A11 T12 G13 I14 K36 I37 E39	A11-R34 HydrophobicContact CB-CB 4.42Å; A11-R34 WeakPolarHBondContact O-CD 3.5Å; T12-R34 PolarHBondContact O-NH1 2.85Å; G13-R34 VanDerWaalsContact O-CA 3.27Å; G13-R34 WeakPolarHBondContact O-CA 3.45Å; G13-R34 VanDerWaalsContact O-CB 3.25Å; G13-R34 WeakPolarHBondContact O-CB 3.25Å; G13-R34 WeakPolarHBondContact O-CG 3.47Å; I14-R34 HydrophobicContact CG1-CG 4.3Å; R34-K36 PolarHBondContact O-N 3.1Å; R34-I37 HydrophobicContact CB-CB 4.32Å; R34-I37 PolarHBondContact N-O 2.89Å; R34-E39 IonicContact CZ-OE2 3.59Å; R34-E39 IonicContact NE-OE2 3.93Å; R34-E39 PolarHBondContact NE-OE2 2.93Å; R34-E39 IonicContact NH2-OE1 3.75Å; R34-E39 IonicContact NH2-OE2 2.79Å; R34-E39 PolarHBondContact NH2-OE2 2.83Å
35	G	93.2	Very high	94	Very high	17 Å²	17	30.1 Å²	30.1	18%	0.175	15%	0.152	C	C	.	.	S	Bend	trans	72	-81.9	-174.8	0	0	0	0	0	113	I62	G35-I62 WeakPolarHBondContact O-CB 3.43Å; G35-I62 PolarHBondContact O-N 2.76Å
36	K	94.8	Very high	93.8	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.035	17%	0.166	C	C	.	.	S	Bend	trans	-104.3	4.3	-178	65.1	175.5	-177.6	151.9	0	114.6	R34 E57 V58 G60 V1097 E1099 F1163	R34-K36 PolarHBondContact O-N 3.1Å; K36-E57 WeakPolarHBondContact CD-OE1 3.45Å; K36-E57 WeakPolarHBondContact CE-OE1 3.39Å; K36-E57 IonicContact NZ-OE1 3.13Å; K36-E57 PolarHBondContact NZ-OE1 3.22Å; K36-V58 WeakPolarHBondContact O-CG2 3.38Å; K36-V58 PolarHBondContact O-N 3.43Å; K36-G60 WeakPolarHBondContact CA-O 3.35Å; K36-G60 WeakPolarHBondContact CB-O 3.09Å; K36-V1097 PolarHBondContact NZ-O 3.22Å; K36-V1097 VanDerWaalsContact NZ-O 3.11Å; K36-E1099 WeakPolarHBondContact CE-OE1 3.31Å; K36-F1163 HydrophobicContact CD-CZ 4.3Å
37	I	96.2	Very high	93.7	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.015	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.7	-177.7	-62	167.2	0	0	0	108.8	R10 S33 R34 T55 V56	R10-I37 HydrophobicContact CB-CD1 3.65Å; R10-I37 HydrophobicContact CG-CD1 3.76Å; S33-I37 WeakPolarHBondContact CA-O 3.45Å; R34-I37 HydrophobicContact CB-CB 4.32Å; R34-I37 PolarHBondContact N-O 2.89Å; I37-T55 HydrophobicContact CG2-CG2 3.29Å; I37-V56 WeakPolarHBondContact CA-O 3.33Å
38	L	97.2	Very high	93.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.5	169	-165.8	70.7	0	0	0	108.7	V31 T55 V56 V58 I62 L65 L90 F99 L1155	V31-L38 HydrophobicContact CG1-CD1 3.5Å; V31-L38 VanDerWaalsContact CG1-CD1 3.5Å; V31-L38 HydrophobicContact CG1-CD2 4.41Å; V31-L38 HydrophobicContact CG1-CG 3.89Å; L38-T55 WeakPolarHBondContact O-CA 3.27Å; L38-V56 PolarHBondContact N-O 2.92Å; L38-V56 PolarHBondContact O-N 2.65Å; L38-V58 HydrophobicContact CB-CG1 4.22Å; L38-I62 HydrophobicContact CB-CD1 4.22Å; L38-I62 HydrophobicContact CD1-CD1 4.08Å; L38-L65 HydrophobicContact CD1-CD1 4.12Å; L38-L65 HydrophobicContact CD1-CD2 4.26Å; L38-L90 HydrophobicContact CD2-CD1 3.53Å; L38-F99 HydrophobicContact CD2-CD2 3.89Å; L38-F99 HydrophobicContact CD2-CE2 3.72Å; L38-F99 HydrophobicContact CD2-CG 4.39Å; L38-F99 HydrophobicContact CD2-CZ 4.07Å; L38-F99 HydrophobicContact CG-CE2 4Å; L38-F99 HydrophobicContact CG-CZ 4.37Å; L38-L1155 HydrophobicContact CD2-CD2 4.44Å
39	E	96.1	Very high	93.4	Very high	16 Å²	16	26.9 Å²	26.9	8%	0.075	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137.8	-175.8	-173.6	-179.2	-170.3	0	0	110.8	V31 V32 R34 L41 T52 L54 T55	V31-E39 CarbonylContact C-O 3.54Å; V31-E39 WeakPolarHBondContact CA-O 3.41Å; V32-E39 HydrophobicContact CG2-CB 3.77Å; V32-E39 HydrophobicContact CG2-CG 4.4Å; V32-E39 PolarHBondContact N-O 2.96Å; V32-E39 PolarHBondContact O-N 3.26Å; R34-E39 IonicContact CZ-OE2 3.59Å; R34-E39 IonicContact NE-OE2 3.93Å; R34-E39 PolarHBondContact NE-OE2 2.93Å; R34-E39 IonicContact NH2-OE1 3.75Å; R34-E39 IonicContact NH2-OE2 2.79Å; R34-E39 PolarHBondContact NH2-OE2 2.83Å; E39-L41 HydrophobicContact CG-CD2 3.88Å; E39-T52 HydrophobicContact CG-CG2 3.75Å; E39-T52 WeakPolarHBondContact OE1-CB 3.48Å; E39-T52 WeakPolarHBondContact OE1-CG2 3.37Å; E39-T52 PolarHBondContact OE1-OG1 2.67Å; E39-L54 CarbonylContact C-O 3.52Å; E39-L54 VanDerWaalsContact CA-O 3.31Å; E39-L54 WeakPolarHBondContact CA-O 3.49Å; E39-L54 WeakPolarHBondContact CG-O 3.21Å; E39-T55 HydrophobicContact CB-CG2 4.41Å; E39-T55 HydrophobicContact CG-CG2 4.48Å
40	L	97.1	Very high	93.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120	175.1	-175.4	68.4	0	0	0	109.5	F22 E29 V31 L53 L54 Y92 F99	F22-L40 HydrophobicContact CB-CD1 4.46Å; F22-L40 HydrophobicContact CD2-CD1 4.04Å; E29-L40 HydrophobicContact CB-CD1 3.68Å; E29-L40 HydrophobicContact CB-CG 4.39Å; E29-L40 HydrophobicContact CG-CD1 4.44Å; V31-L40 HydrophobicContact CG2-CD1 3.49Å; V31-L40 VanDerWaalsContact CG2-CD1 3.49Å; L40-L53 HydrophobicContact CB-CB 4.39Å; L40-L53 HydrophobicContact CD2-CB 4.09Å; L40-L53 HydrophobicContact CD2-CD1 3.78Å; L40-L53 HydrophobicContact CG-CB 4.26Å; L40-L53 HydrophobicContact CG-CD1 4.08Å; L40-L53 PolarHBondContact O-N 3.05Å; L40-L54 HydrophobicContact CB-CB 4.16Å; L40-L54 PolarHBondContact N-O 3.09Å; L40-Y92 HydrophobicContact CD2-CD1 3.58Å; L40-Y92 HydrophobicContact CD2-CD2 3.71Å; L40-Y92 HydrophobicContact CD2-CE1 3.41Å; L40-Y92 VanDerWaalsContact CD2-CE1 3.41Å; L40-Y92 HydrophobicContact CD2-CE2 3.56Å; L40-Y92 HydrophobicContact CD2-CG 3.72Å; L40-Y92 VanDerWaalsContact CD2-CZ 3.4Å; L40-F99 HydrophobicContact CB-CZ 3.97Å
41	L	95.7	Very high	92.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	143.6	178.8	-52.5	178.4	0	0	0	110.3	E29 I30 V32 E39 V50 H51 F348 L401	E29-L41 WeakPolarHBondContact CA-O 3.48Å; E29-L41 WeakPolarHBondContact CB-O 3.42Å; I30-L41 HydrophobicContact CB-CB 4.28Å; I30-L41 PolarHBondContact N-O 3.21Å; I30-L41 PolarHBondContact O-N 2.78Å; V32-L41 HydrophobicContact CG1-CD1 3.78Å; V32-L41 HydrophobicContact CG1-CG 4.47Å; V32-L41 HydrophobicContact CG2-CD1 4.05Å; V32-L41 HydrophobicContact CG2-CG 4.29Å; E39-L41 HydrophobicContact CG-CD2 3.88Å; L41-V50 HydrophobicContact CB-CG1 3.88Å; L41-V50 HydrophobicContact CD1-CG1 4.22Å; L41-V50 HydrophobicContact CG-CG1 4.45Å; L41-H51 CarbonylContact C-O 3.44Å; L41-H51 WeakPolarHBondContact CA-O 3.48Å; L41-F348 HydrophobicContact CD1-CZ 4.24Å; L41-L401 HydrophobicContact CD1-CD1 3.99Å
42	R	93.7	Very high	92.2	Very high	68 Å²	68	33.9 Å²	33.9	26%	0.257	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	110	173.1	177.8	177.8	-70.6	159.3	-0.6	109.8	E29 H51 L53	E29-R42 HydrophobicContact CG-CB 4.35Å; E29-R42 IonicContact OE1-CZ 2.77Å; E29-R42 IonicContact OE1-NE 3.77Å; E29-R42 IonicContact OE1-NH2 3.37Å; E29-R42 PolarHBondContact OE1-NH2 3.01Å; R42-H51 PolarHBondContact N-O 3.31Å; R42-H51 PolarHBondContact O-N 3.04Å; R42-L53 HydrophobicContact CB-CD1 3.83Å; R42-L53 HydrophobicContact CB-CD2 4.1Å; R42-L53 HydrophobicContact CB-CG 3.88Å
43	P	93.5	Very high	91.8	Very high	10 Å²	10	35.3 Å²	35.3	7%	0.065	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	126.1	164.5	-19.2	34.5	0	0	0	109.9	I30 V50 L342 L358	I30-P43 HydrophobicContact CD1-CG 3.84Å; I30-P43 HydrophobicContact CG1-CG 4.49Å; P43-V50 HydrophobicContact CB-CG2 4.34Å; P43-V50 HydrophobicContact CG-CG2 4.35Å; P43-L342 HydrophobicContact CB-CD1 4.34Å; P43-L342 HydrophobicContact CG-CD1 3.76Å; P43-L358 HydrophobicContact CB-CD2 4.03Å; P43-L358 HydrophobicContact CG-CD1 4.34Å
44	D	88.3	Confident	91.4	Very high	46 Å²	46	36.3 Å²	36.3	25%	0.246	19%	0.193	C	C	.	.			trans	-69.1	126.3	170.7	-177.4	-73.9	0	0	0	109.4	N46 T47 G48 K49	D44-N46 VanDerWaalsContact C-N 3.25Å; D44-N46 PolarHBondContact O-N 2.93Å; D44-N46 WeakPolarHBondContact OD1-CA 3.26Å; D44-N46 WeakPolarHBondContact OD1-CB 3.41Å; D44-N46 PolarHBondContact OD1-N 3.04Å; D44-T47 VanDerWaalsContact CB-OG1 3.31Å; D44-T47 WeakPolarHBondContact CB-OG1 3.2Å; D44-T47 PolarHBondContact OD1-N 2.91Å; D44-T47 PolarHBondContact OD1-OG1 2.77Å; D44-G48 WeakPolarHBondContact O-CA 3.4Å; D44-G48 PolarHBondContact O-N 2.75Å; D44-K49 PolarHBondContact N-O 3.22Å
45	P	86.6	Confident	91.2	Very high	61 Å²	61	36.1 Å²	36.1	40%	0.396	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-19.8	-174.3	27.7	-35	0	0	0	114.2	T344	P45-T344 HydrophobicContact CB-CG2 4.38Å
46	N	84.5	Confident	91.3	Very high	149 Å²	149	36.8 Å²	36.8	80%	0.797	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-44.9	-175.6	-58.9	-38.3	0	0	0	111.6	D44	D44-N46 VanDerWaalsContact C-N 3.25Å; D44-N46 PolarHBondContact O-N 2.93Å; D44-N46 WeakPolarHBondContact OD1-CA 3.26Å; D44-N46 WeakPolarHBondContact OD1-CB 3.41Å; D44-N46 PolarHBondContact OD1-N 3.04Å
47	T	84	Confident	91.2	Very high	82 Å²	82	37.4 Å²	37.4	50%	0.503	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-20.1	-177.7	64.8	0	0	0	0	112.8	D44 K49 V398	D44-T47 VanDerWaalsContact CB-OG1 3.31Å; D44-T47 WeakPolarHBondContact CB-OG1 3.2Å; D44-T47 PolarHBondContact OD1-N 2.91Å; D44-T47 PolarHBondContact OD1-OG1 2.77Å; T47-K49 PolarHBondContact O-N 3.19Å; T47-K49 PolarHBondContact OG1-N 2.56Å; T47-V398 WeakPolarHBondContact O-CG1 3.37Å
48	G	85.7	Confident	91.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	20%	0.196	C	C	.	.			trans	68.9	5.5	-171.3	0	0	0	0	0	114.6	D44 L358 D399	D44-G48 WeakPolarHBondContact O-CA 3.4Å; D44-G48 PolarHBondContact O-N 2.75Å; G48-L358 WeakPolarHBondContact O-CD2 3.49Å; G48-D399 WeakPolarHBondContact O-CB 3.42Å
49	K	88.6	Confident	91.2	Very high	85 Å²	85	37.2 Å²	37.2	37%	0.37	20%	0.196	S	C	.	.			trans	-67.6	133.8	176.2	-71.9	-74.9	163.9	-166.3	0	110.9	D44 T47 D399	D44-K49 PolarHBondContact N-O 3.22Å; T47-K49 PolarHBondContact O-N 3.19Å; T47-K49 PolarHBondContact OG1-N 2.56Å; K49-D399 IonicContact NZ-OD1 3.16Å; K49-D399 PolarHBondContact NZ-OD1 2.86Å
50	V	91.6	Very high	91.2	Very high	15 Å²	15	36.5 Å²	36.5	9%	0.091	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.3	-179.6	-176.2	0	0	0	0	110.1	L41 P43 L358 D399 L401	L41-V50 HydrophobicContact CB-CG1 3.88Å; L41-V50 HydrophobicContact CD1-CG1 4.22Å; L41-V50 HydrophobicContact CG-CG1 4.45Å; P43-V50 HydrophobicContact CB-CG2 4.34Å; P43-V50 HydrophobicContact CG-CG2 4.35Å; V50-L358 HydrophobicContact CG2-CB 4.07Å; V50-L358 HydrophobicContact CG2-CD1 4.43Å; V50-L358 HydrophobicContact CG2-CD2 3.82Å; V50-L358 HydrophobicContact CG2-CG 4.33Å; V50-D399 HydrophobicContact CG2-CB 4.44Å; V50-D399 PolarHBondContact N-OD2 2.91Å; V50-L401 HydrophobicContact CB-CD2 4.14Å; V50-L401 HydrophobicContact CG1-CD1 4.24Å; V50-L401 HydrophobicContact CG1-CD2 4.3Å
51	H	88.2	Confident	91.1	Very high	89 Å²	89	38.4 Å²	38.4	41%	0.412	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136	-179.8	-58	-68	0	0	0	112.2	L41 R42 L53	L41-H51 CarbonylContact C-O 3.44Å; L41-H51 WeakPolarHBondContact CA-O 3.48Å; R42-H51 PolarHBondContact N-O 3.31Å; R42-H51 PolarHBondContact O-N 3.04Å; H51-L53 PolarHBondContact O-N 3.41Å
52	T	89.3	Confident	91.2	Very high	42 Å²	42	38.7 Å²	38.7	26%	0.258	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.5	168.6	-60	0	0	0	0	110.4	E39 T55	E39-T52 HydrophobicContact CG-CG2 3.75Å; E39-T52 WeakPolarHBondContact OE1-CB 3.48Å; E39-T52 WeakPolarHBondContact OE1-CG2 3.37Å; E39-T52 PolarHBondContact OE1-OG1 2.67Å; T52-T55 WeakPolarHBondContact CG2-OG1 3.5Å
53	L	89	Confident	91.3	Very high	31 Å²	31	36 Å²	36	16%	0.162	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-42.5	176	-61.9	-176.3	0	0	0	112.6	E29 L40 R42 H51 N97	E29-L53 HydrophobicContact CG-CD1 4.3Å; L40-L53 HydrophobicContact CB-CB 4.39Å; L40-L53 HydrophobicContact CD2-CB 4.09Å; L40-L53 HydrophobicContact CD2-CD1 3.78Å; L40-L53 HydrophobicContact CG-CB 4.26Å; L40-L53 HydrophobicContact CG-CD1 4.08Å; L40-L53 PolarHBondContact O-N 3.05Å; R42-L53 HydrophobicContact CB-CD1 3.83Å; R42-L53 HydrophobicContact CB-CD2 4.1Å; R42-L53 HydrophobicContact CB-CG 3.88Å; H51-L53 PolarHBondContact O-N 3.41Å; L53-N97 PolarHBondContact O-ND2 2.89Å; L53-N97 PolarHBondContact O-OD1 3.41Å
54	L	90.5	Very high	91.5	Very high	20 Å²	20	35.8 Å²	35.8	11%	0.105	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	142.2	-172.7	178.7	60.7	0	0	0	110.4	E39 L40 V56 Y92 N97 F99	E39-L54 CarbonylContact C-O 3.52Å; E39-L54 VanDerWaalsContact CA-O 3.31Å; E39-L54 WeakPolarHBondContact CA-O 3.49Å; E39-L54 WeakPolarHBondContact CG-O 3.21Å; L40-L54 HydrophobicContact CB-CB 4.16Å; L40-L54 PolarHBondContact N-O 3.09Å; L54-V56 HydrophobicContact CD1-CG2 4.09Å; L54-V56 HydrophobicContact CD2-CG2 4.22Å; L54-V56 HydrophobicContact CG-CG2 4.02Å; L54-Y92 HydrophobicContact CD2-CD2 4.14Å; L54-Y92 HydrophobicContact CD2-CE2 4Å; L54-N97 WeakPolarHBondContact CD1-O 3.36Å; L54-F99 HydrophobicContact CD2-CD2 3.54Å; L54-F99 HydrophobicContact CD2-CE2 3.7Å; L54-F99 HydrophobicContact CD2-CG 4.06Å; L54-F99 HydrophobicContact CD2-CZ 4.33Å; L54-F99 HydrophobicContact CG-CD2 4.36Å; L54-F99 HydrophobicContact CG-CE2 4.23Å
55	T	92.4	Very high	92	Very high	16 Å²	16	34 Å²	34	10%	0.098	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132	171.4	-46.6	0	0	0	0	110.1	R10 I37 L38 E39 T52	R10-T55 PolarHBondContact NH1-OG1 3.02Å; I37-T55 HydrophobicContact CG2-CG2 3.29Å; L38-T55 WeakPolarHBondContact O-CA 3.27Å; E39-T55 HydrophobicContact CB-CG2 4.41Å; E39-T55 HydrophobicContact CG-CG2 4.48Å; T52-T55 WeakPolarHBondContact CG2-OG1 3.5Å
56	V	93.6	Very high	92.5	Very high	31 Å²	31	34.2 Å²	34.2	19%	0.188	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	128.6	-179.2	-175.3	0	0	0	0	110.3	I37 L38 L54 F99 L1155	I37-V56 WeakPolarHBondContact CA-O 3.33Å; L38-V56 PolarHBondContact N-O 2.92Å; L38-V56 PolarHBondContact O-N 2.65Å; L54-V56 HydrophobicContact CD1-CG2 4.09Å; L54-V56 HydrophobicContact CD2-CG2 4.22Å; L54-V56 HydrophobicContact CG-CG2 4.02Å; V56-F99 HydrophobicContact CG2-CD2 3.95Å; V56-L1155 HydrophobicContact CB-CD2 4.4Å; V56-L1155 HydrophobicContact CG1-CB 4.3Å; V56-L1155 HydrophobicContact CG1-CD2 3.97Å
57	E	94.1	Very high	93.1	Very high	20 Å²	20	28.5 Å²	28.5	9%	0.093	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.1	168.5	-173	156.4	-170.6	0	0	109.7	K36 F59 R1164 D1177	K36-E57 WeakPolarHBondContact CD-OE1 3.45Å; K36-E57 WeakPolarHBondContact CE-OE1 3.39Å; K36-E57 IonicContact NZ-OE1 3.13Å; K36-E57 PolarHBondContact NZ-OE1 3.22Å; E57-F59 HydrophobicContact CB-CZ 4.35Å; E57-F59 HydrophobicContact CG-CD1 3.97Å; E57-F59 HydrophobicContact CG-CE1 3.89Å; E57-F59 HydrophobicContact CG-CG 4.32Å; E57-F59 HydrophobicContact CG-CZ 4.18Å; E57-R1164 IonicContact OE1-NH2 3.18Å; E57-D1177 WeakPolarHBondContact OE2-CB 3.43Å
58	V	95.8	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.			trans	-94.1	-2.7	-173.6	-56.3	0	0	0	0	113.2	K36 L38 G60 I62 P1154 L1155 C1156	K36-V58 WeakPolarHBondContact O-CG2 3.38Å; K36-V58 PolarHBondContact O-N 3.43Å; L38-V58 HydrophobicContact CB-CG1 4.22Å; V58-G60 WeakPolarHBondContact CG2-O 3.24Å; V58-G60 PolarHBondContact O-N 3.16Å; V58-I62 HydrophobicContact CG1-CD1 4.33Å; V58-I62 HydrophobicContact CG2-CD1 4.08Å; V58-I62 HydrophobicContact CG2-CG1 3.93Å; V58-P1154 WeakPolarHBondContact O-CB 3.32Å; V58-L1155 HydrophobicContact CG1-CB 4.33Å; V58-L1155 HydrophobicContact CG1-CD2 4.48Å; V58-C1156 HydrophobicContact CB-CB 4.11Å
59	F	96.3	Very high	94.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	44	45.9	-175.4	-53.9	-77.3	0	0	0	113.3	E57 P1154 R1158 H1160 F1163 D1177 L1178 Q1181	E57-F59 HydrophobicContact CB-CZ 4.35Å; E57-F59 HydrophobicContact CG-CD1 3.97Å; E57-F59 HydrophobicContact CG-CE1 3.89Å; E57-F59 HydrophobicContact CG-CG 4.32Å; E57-F59 HydrophobicContact CG-CZ 4.18Å; F59-P1154 HydrophobicContact CB-CB 4.07Å; F59-P1154 HydrophobicContact CB-CG 3.94Å; F59-P1154 HydrophobicContact CD2-CB 3.99Å; F59-P1154 HydrophobicContact CD2-CG 3.83Å; F59-P1154 HydrophobicContact CG-CG 4.29Å; F59-R1158 WeakPolarHBondContact O-CB 3.37Å; F59-R1158 WeakPolarHBondContact O-CG 3.34Å; F59-H1160 AromaticContact CD1-CD2 3.74Å; F59-H1160 AromaticContact CG-CD2 3.87Å; F59-F1163 VanDerWaalsContact C-CD1 3.48Å; F59-F1163 HydrophobicContact CB-CD1 3.97Å; F59-F1163 HydrophobicContact CB-CE1 4.38Å; F59-F1163 VanDerWaalsContact O-CB 3.26Å; F59-F1163 WeakPolarHBondContact O-CB 3.36Å; F59-F1163 WeakPolarHBondContact O-CD1 2.89Å; F59-F1163 WeakPolarHBondContact O-CG 3.39Å; F59-D1177 HydrophobicContact CE1-CB 4.34Å; F59-L1178 HydrophobicContact CE1-CB 4.15Å; F59-L1178 HydrophobicContact CE2-CD1 3.74Å; F59-L1178 HydrophobicContact CZ-CB 3.86Å; F59-L1178 HydrophobicContact CZ-CD1 3.85Å; F59-L1178 HydrophobicContact CZ-CG 4.48Å; F59-Q1181 VanDerWaalsContact CZ-NE2 3.3Å
60	G	96.3	Very high	94.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-167.9	176	-178.7	0	0	0	0	0	109.4	K36 V58 D83	K36-G60 WeakPolarHBondContact CA-O 3.35Å; K36-G60 WeakPolarHBondContact CB-O 3.09Å; V58-G60 WeakPolarHBondContact CG2-O 3.24Å; V58-G60 PolarHBondContact O-N 3.16Å; G60-D83 VanDerWaalsContact CA-OD1 3.25Å; G60-D83 WeakPolarHBondContact CA-OD1 3.48Å
61	V	95.9	Very high	94.2	Very high	41 Å²	41	27.6 Å²	27.6	25%	0.248	15%	0.146	C	C	.	.			trans	-101.6	116.4	178.3	-177.2	0	0	0	0	108.4	R63 S82 D83 F1163	V61-R63 HydrophobicContact CG1-CG 4.43Å; V61-R63 PolarHBondContact O-N 2.96Å; V61-S82 CarbonylContact O-C 3.58Å; V61-S82 WeakPolarHBondContact O-CA 3.16Å; V61-S82 WeakPolarHBondContact O-CB 3.31Å; V61-D83 HydrophobicContact CB-CB 4.14Å; V61-D83 PolarHBondContact N-OD1 3.49Å; V61-D83 PolarHBondContact O-N 2.93Å; V61-F1163 HydrophobicContact CG2-CE2 4.41Å
62	I	97.4	Very high	94.1	Very high	5 Å²	5	27 Å²	27	3%	0.026	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	125.5	170.4	-61.9	165.5	0	0	0	107.4	F16 S33 G35 L38 V58 V80	F16-I62 HydrophobicContact CD2-CG2 4.27Å; S33-I62 WeakPolarHBondContact OG-CB 3.31Å; S33-I62 WeakPolarHBondContact OG-CD1 3.4Å; S33-I62 WeakPolarHBondContact OG-CG2 3.44Å; G35-I62 WeakPolarHBondContact O-CB 3.43Å; G35-I62 PolarHBondContact O-N 2.76Å; L38-I62 HydrophobicContact CB-CD1 4.22Å; L38-I62 HydrophobicContact CD1-CD1 4.08Å; V58-I62 HydrophobicContact CG1-CD1 4.33Å; V58-I62 HydrophobicContact CG2-CD1 4.08Å; V58-I62 HydrophobicContact CG2-CG1 3.93Å; I62-V80 HydrophobicContact CG1-CG1 4.24Å; I62-V80 HydrophobicContact CG2-CG1 4.01Å
63	R	96.7	Very high	94	Very high	13 Å²	13	26 Å²	26	5%	0.049	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-21.7	-174.2	-64.5	-179.4	65.5	-162.9	0.3	113.1	F16 V61 G81 V116 G118	F16-R63 VanDerWaalsContact CZ-C 3.49Å; F16-R63 WeakPolarHBondContact CZ-O 3.32Å; V61-R63 HydrophobicContact CG1-CG 4.43Å; V61-R63 PolarHBondContact O-N 2.96Å; R63-G81 PolarHBondContact N-O 3.11Å; R63-V116 PolarHBondContact NH1-O 2.85Å; R63-G118 CarbonylContact C-O 3.55Å; R63-G118 WeakPolarHBondContact CB-O 3.29Å
64	S	97.5	Very high	94.1	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.035	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	149.1	175.7	47.4	0	0	0	0	110.3	G81 G118	S64-G81 PolarHBondContact N-O 2.79Å; S64-G81 VanDerWaalsContact N-O 3.12Å; S64-G81 PolarHBondContact O-N 3.14Å; S64-G81 WeakPolarHBondContact OG-CA 3.42Å; S64-G118 PolarHBondContact OG-O 2.99Å
65	L	97.6	Very high	94.2	Very high	9 Å²	9	29.8 Å²	29.8	5%	0.047	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	125.5	-173.1	-176.5	68.3	0	0	0	109.2	F16 I18 V31 L38 I78 V79 V80	F16-L65 HydrophobicContact CB-CB 3.99Å; F16-L65 HydrophobicContact CB-CD2 4.19Å; F16-L65 HydrophobicContact CG-CB 4.39Å; I18-L65 HydrophobicContact CD1-CD1 4.07Å; I18-L65 HydrophobicContact CD1-CD2 4.11Å; I18-L65 HydrophobicContact CD1-CG 3.7Å; I18-L65 HydrophobicContact CG1-CD2 3.93Å; I18-L65 HydrophobicContact CG1-CG 4.01Å; I18-L65 HydrophobicContact CG2-CD2 4.42Å; I18-L65 HydrophobicContact CG2-CG 4.17Å; I18-L65 WeakPolarHBondContact CG2-O 3.34Å; V31-L65 HydrophobicContact CG1-CD2 4.12Å; L38-L65 HydrophobicContact CD1-CD1 4.12Å; L38-L65 HydrophobicContact CD1-CD2 4.26Å; L65-I78 HydrophobicContact CD1-CG2 3.38Å; L65-V79 WeakPolarHBondContact CA-O 3.33Å; L65-V80 HydrophobicContact CD1-CG2 3.86Å
66	M	97.8	Very high	94.4	Very high	65 Å²	65	29.8 Å²	29.8	32%	0.32	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.4	179	-73.2	-70.5	-81.3	0	0	111.2	V79 L121 V123	M66-V79 PolarHBondContact N-O 3.33Å; M66-V79 PolarHBondContact O-N 3.11Å; M66-L121 HydrophobicContact CB-CD2 3.71Å; M66-L121 HydrophobicContact CB-CG 4.05Å; M66-L121 HydrophobicContact CG-CB 3.99Å; M66-L121 HydrophobicContact CG-CD2 3.73Å; M66-L121 HydrophobicContact CG-CG 3.73Å; M66-V123 HydrophobicContact CB-CG2 3.81Å; M66-V123 HydrophobicContact CE-CB 4.49Å; M66-V123 HydrophobicContact CE-CG2 4.24Å; M66-V123 HydrophobicContact CG-CG2 4.39Å
67	A	97.4	Very high	94.6	Very high	29 Å²	29	29.5 Å²	29.5	24%	0.24	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	149.2	170.1	0	0	0	0	0	110.4	I18 F22 Y77	I18-A67 HydrophobicContact CB-CB 4.43Å; I18-A67 HydrophobicContact CD1-CB 3.99Å; F22-A67 HydrophobicContact CE1-CB 3.99Å; F22-A67 HydrophobicContact CZ-CB 3.92Å; A67-Y77 CarbonylContact C-O 3.53Å; A67-Y77 WeakPolarHBondContact CA-O 3.3Å
68	F	96.8	Very high	94.8	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.035	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	153.8	169.1	77.5	-81.2	0	0	0	113.2	L70 D76 Y77 V79 I89 V123 L144 L152	F68-L70 HydrophobicContact CE2-CD2 4.01Å; F68-L70 HydrophobicContact CE2-CG 4.04Å; F68-D76 CarbonylContact O-C 3.6Å; F68-D76 WeakPolarHBondContact O-CA 3.33Å; F68-Y77 HydrophobicContact CE1-CG 4.28Å; F68-Y77 HydrophobicContact CE2-CD2 4.2Å; F68-Y77 HydrophobicContact CE2-CG 4.41Å; F68-Y77 HydrophobicContact CZ-CD2 4.23Å; F68-Y77 AromaticContact CZ-CG 3.99Å; F68-Y77 HydrophobicContact CZ-CG 3.99Å; F68-Y77 PolarHBondContact N-O 3.4Å; F68-Y77 PolarHBondContact O-N 2.65Å; F68-V79 HydrophobicContact CD1-CG2 3.42Å; F68-V79 VanDerWaalsContact CD1-CG2 3.42Å; F68-V79 HydrophobicContact CE1-CG2 3.28Å; F68-V79 HydrophobicContact CZ-CG2 4.4Å; F68-I89 HydrophobicContact CE1-CD1 4.45Å; F68-I89 HydrophobicContact CE1-CG2 3.86Å; F68-I89 HydrophobicContact CZ-CD1 4.24Å; F68-I89 HydrophobicContact CZ-CG2 4Å; F68-V123 HydrophobicContact CB-CG1 3.57Å; F68-V123 HydrophobicContact CB-CG2 4.44Å; F68-V123 HydrophobicContact CG-CG1 4.46Å; F68-L144 HydrophobicContact CD2-CD1 3.44Å; F68-L144 VanDerWaalsContact CD2-CD1 3.44Å; F68-L144 HydrophobicContact CE2-CD1 3.35Å; F68-L144 HydrophobicContact CE2-CD2 4.31Å; F68-L144 HydrophobicContact CE2-CG 4.29Å; F68-L144 HydrophobicContact CG-CD1 4.09Å; F68-L144 HydrophobicContact CZ-CD1 3.91Å; F68-L144 HydrophobicContact CZ-CD2 4.21Å; F68-L152 HydrophobicContact CE2-CD1 4.2Å; F68-L152 HydrophobicContact CZ-CD1 4.23Å; F68-L152 HydrophobicContact CZ-CD2 3.84Å
69	R	94.4	Very high	94.9	Very high	82 Å²	82	28.6 Å²	28.6	31%	0.309	18%	0.176	S	C	.	.			trans	-118.5	118	175.1	-167	168.2	-71.8	-157.6	0.6	110.1	T71 G73 T74 D76 G127	R69-T71 PolarHBondContact O-N 3.09Å; R69-G73 WeakPolarHBondContact CD-O 3.24Å; R69-T74 PolarHBondContact NH1-O 3.04Å; R69-T74 PolarHBondContact NH2-O 3.3Å; R69-D76 VanDerWaalsContact CB-OD1 3.23Å; R69-D76 WeakPolarHBondContact CB-OD1 3.48Å; R69-D76 IonicContact CZ-OD1 2.92Å; R69-D76 IonicContact CZ-OD2 2.85Å; R69-D76 IonicContact NE-OD1 3.14Å; R69-D76 PolarHBondContact NE-OD1 3.41Å; R69-D76 IonicContact NE-OD2 2.67Å; R69-D76 VanDerWaalsContact NH2-CG 3.34Å; R69-D76 IonicContact NH2-OD1 3.32Å; R69-D76 PolarHBondContact NH2-OD1 3.37Å; R69-D76 IonicContact NH2-OD2 2.7Å; R69-D76 PolarHBondContact NH2-OD2 3.46Å; R69-G127 WeakPolarHBondContact O-CA 3.29Å
70	L	92.5	Very high	95	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.031	18%	0.176	C	C	.	.			trans	-55.9	138.9	168.1	-73.4	177.6	0	0	0	110.5	F68 G72 G73 Y77 L144 R146 L152	F68-L70 HydrophobicContact CE2-CD2 4.01Å; F68-L70 HydrophobicContact CE2-CG 4.04Å; L70-G72 PolarHBondContact O-N 3.01Å; L70-G73 WeakPolarHBondContact O-CA 3.33Å; L70-G73 PolarHBondContact O-N 3.41Å; L70-Y77 HydrophobicContact CD1-CE2 4.05Å; L70-Y77 HydrophobicContact CG-CE2 4.3Å; L70-L144 HydrophobicContact CD2-CB 3.88Å; L70-R146 HydrophobicContact CD1-CG 3.7Å; L70-R146 PolarHBondContact O-NH2 3.06Å; L70-L152 HydrophobicContact CD1-CB 4.1Å; L70-L152 HydrophobicContact CD1-CD1 3.66Å; L70-L152 HydrophobicContact CD1-CG 4.45Å; L70-L152 HydrophobicContact CD2-CD1 3.66Å; L70-L152 HydrophobicContact CG-CD1 3.97Å
71	T	87.6	Confident	95	Very high	68 Å²	68	28.6 Å²	28.6	42%	0.417	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	131.2	178.4	-48.5	0	0	0	0	111.6	R69 G73 K126 R146 F177	R69-T71 PolarHBondContact O-N 3.09Å; T71-G73 PolarHBondContact O-N 2.97Å; T71-K126 PolarHBondContact OG1-O 3.24Å; T71-R146 PolarHBondContact O-NH2 2.81Å; T71-F177 HydrophobicContact CG2-CE1 3.99Å; T71-F177 HydrophobicContact CG2-CZ 4.49Å
72	G	86.4	Confident	95.1	Very high	77 Å²	77	26.7 Å²	26.7	79%	0.794	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	6.5	-176.4	0	0	0	0	0	115.4	L70	L70-G72 PolarHBondContact O-N 3.01Å
73	G	88.7	Confident	95	Very high	21 Å²	21	26.5 Å²	26.5	22%	0.216	16%	0.164	C	C	.	.			trans	-82.4	161.7	174	0	0	0	0	0	112.5	R69 L70 T71	R69-G73 WeakPolarHBondContact CD-O 3.24Å; L70-G73 WeakPolarHBondContact O-CA 3.33Å; L70-G73 PolarHBondContact O-N 3.41Å; T71-G73 PolarHBondContact O-N 2.97Å
74	T	89.3	Confident	95	Very high	101 Å²	101	26.2 Å²	26.2	62%	0.62	16%	0.164	S	C	*	.	S	Bend	trans	-107.5	-19.7	173.2	52.6	0	0	0	0	112.8	N21 R69	N21-T74 PolarHBondContact ND2-O 3.2Å; R69-T74 PolarHBondContact NH1-O 3.04Å; R69-T74 PolarHBondContact NH2-O 3.3Å
75	K	94	Very high	94.9	Very high	29 Å²	29	26 Å²	26	13%	0.126	16%	0.163	C	C	.	.	S	Bend	trans	-106.3	142.5	-175	-168.5	177.2	-173.4	178.1	0	111.1	F22 E91 Y92	F22-K75 WeakPolarHBondContact O-CE 3.43Å; K75-E91 HydrophobicContact CD-CG 4.27Å; K75-E91 WeakPolarHBondContact CE-OE1 3.33Å; K75-E91 VanDerWaalsContact NZ-CG 3.28Å; K75-E91 IonicContact NZ-OE1 3.78Å; K75-E91 PolarHBondContact NZ-OE1 3.45Å; K75-Y92 WeakPolarHBondContact CE-O 3.44Å; K75-Y92 PolarHBondContact NZ-O 2.93Å
76	D	96.8	Very high	94.8	Very high	15 Å²	15	29.3 Å²	29.3	8%	0.08	17%	0.174	C	C	.	.			trans	-94.5	139.4	174.7	-62.8	-44.9	0	0	0	110.7	G20 N21 F22 F68 R69	G20-D76 WeakPolarHBondContact CA-OD2 2.93Å; N21-D76 PolarHBondContact N-OD2 2.75Å; N21-D76 PolarHBondContact O-N 2.96Å; F22-D76 HydrophobicContact CD1-CB 3.97Å; F22-D76 WeakPolarHBondContact CD1-O 3.45Å; F22-D76 HydrophobicContact CE1-CB 3.99Å; F68-D76 CarbonylContact O-C 3.6Å; F68-D76 WeakPolarHBondContact O-CA 3.33Å; R69-D76 VanDerWaalsContact CB-OD1 3.23Å; R69-D76 WeakPolarHBondContact CB-OD1 3.48Å; R69-D76 IonicContact CZ-OD1 2.92Å; R69-D76 IonicContact CZ-OD2 2.85Å; R69-D76 IonicContact NE-OD1 3.14Å; R69-D76 PolarHBondContact NE-OD1 3.41Å; R69-D76 IonicContact NE-OD2 2.67Å; R69-D76 VanDerWaalsContact NH2-CG 3.34Å; R69-D76 IonicContact NH2-OD1 3.32Å; R69-D76 PolarHBondContact NH2-OD1 3.37Å; R69-D76 IonicContact NH2-OD2 2.7Å; R69-D76 PolarHBondContact NH2-OD2 3.46Å
77	Y	97.5	Very high	94.8	Very high	26 Å²	26	26.2 Å²	26.2	10%	0.102	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	162.5	172.8	-66	-93.2	0	0	0	109.6	A67 F68 L70 I89 E91 I102 L152	A67-Y77 CarbonylContact C-O 3.53Å; A67-Y77 WeakPolarHBondContact CA-O 3.3Å; F68-Y77 HydrophobicContact CE1-CG 4.28Å; F68-Y77 HydrophobicContact CE2-CD2 4.2Å; F68-Y77 HydrophobicContact CE2-CG 4.41Å; F68-Y77 HydrophobicContact CZ-CD2 4.23Å; F68-Y77 AromaticContact CZ-CG 3.99Å; F68-Y77 HydrophobicContact CZ-CG 3.99Å; F68-Y77 PolarHBondContact N-O 3.4Å; F68-Y77 PolarHBondContact O-N 2.65Å; L70-Y77 HydrophobicContact CD1-CE2 4.05Å; L70-Y77 HydrophobicContact CG-CE2 4.3Å; Y77-I89 HydrophobicContact CD1-CG2 4.31Å; Y77-E91 HydrophobicContact CD1-CB 3.97Å; Y77-E91 HydrophobicContact CD1-CG 4.36Å; Y77-E91 HydrophobicContact CE1-CB 3.97Å; Y77-E91 HydrophobicContact CE1-CG 4.07Å; Y77-I102 HydrophobicContact CE1-CG1 4.48Å; Y77-L152 HydrophobicContact CD1-CD2 4.15Å; Y77-L152 HydrophobicContact CE1-CB 4.41Å; Y77-L152 HydrophobicContact CE1-CD2 4.31Å; Y77-L152 HydrophobicContact CG-CD2 4.45Å
78	I	98.4	Very high	94.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126	-179.1	-57.3	156.1	0	0	0	108.3	I18 F22 V31 L65 V80 I89 L90 F99	I18-I78 HydrophobicContact CD1-CG1 4.28Å; I18-I78 HydrophobicContact CD1-CG2 4.01Å; F22-I78 HydrophobicContact CD1-CD1 4Å; F22-I78 HydrophobicContact CD1-CG1 3.65Å; F22-I78 HydrophobicContact CE1-CD1 4.14Å; F22-I78 HydrophobicContact CE1-CG1 3.39Å; F22-I78 HydrophobicContact CZ-CG1 4.16Å; V31-I78 HydrophobicContact CG1-CD1 4.31Å; V31-I78 HydrophobicContact CG2-CD1 3.7Å; V31-I78 HydrophobicContact CG2-CG1 4.32Å; L65-I78 HydrophobicContact CD1-CG2 3.38Å; I78-V80 HydrophobicContact CG2-CG2 3.89Å; I78-I89 CarbonylContact O-C 3.54Å; I78-I89 VanDerWaalsContact O-CA 3.32Å; I78-I89 WeakPolarHBondContact O-CA 3.44Å; I78-L90 HydrophobicContact CB-CB 4.19Å; I78-L90 PolarHBondContact N-O 2.99Å; I78-L90 PolarHBondContact O-N 3.3Å; I78-F99 HydrophobicContact CD1-CD1 3.99Å; I78-F99 HydrophobicContact CD1-CE1 3.46Å; I78-F99 VanDerWaalsContact CD1-CE1 3.46Å; I78-F99 HydrophobicContact CD1-CZ 4.27Å
79	V	97.9	Very high	94.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.3	169.2	-172.8	0	0	0	0	109	L65 M66 F68 I87 V88 I89 L121 V130	L65-V79 WeakPolarHBondContact CA-O 3.33Å; M66-V79 PolarHBondContact N-O 3.33Å; M66-V79 PolarHBondContact O-N 3.11Å; F68-V79 HydrophobicContact CD1-CG2 3.42Å; F68-V79 VanDerWaalsContact CD1-CG2 3.42Å; F68-V79 HydrophobicContact CE1-CG2 3.28Å; F68-V79 HydrophobicContact CZ-CG2 4.4Å; V79-I87 HydrophobicContact CG1-CD1 3.85Å; V79-I87 HydrophobicContact CG1-CG1 3.76Å; V79-V88 WeakPolarHBondContact CA-O 3.24Å; V79-I89 HydrophobicContact CG2-CG1 4.26Å; V79-L121 HydrophobicContact CB-CD2 3.99Å; V79-L121 HydrophobicContact CG1-CD1 3.99Å; V79-L121 HydrophobicContact CG1-CD2 3.92Å; V79-L121 WeakPolarHBondContact O-CD2 2.95Å; V79-V130 HydrophobicContact CG1-CG1 4.37Å; V79-V130 HydrophobicContact CG2-CG2 4.34Å
80	V	98.1	Very high	95	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.7	-179.2	-169.8	0	0	0	0	110	I62 L65 I78 V88 L90	I62-V80 HydrophobicContact CG1-CG1 4.24Å; I62-V80 HydrophobicContact CG2-CG1 4.01Å; L65-V80 HydrophobicContact CD1-CG2 3.86Å; I78-V80 HydrophobicContact CG2-CG2 3.89Å; V80-V88 HydrophobicContact CB-CB 4.44Å; V80-V88 PolarHBondContact N-O 3.39Å; V80-V88 PolarHBondContact O-N 3.32Å; V80-V88 VanDerWaalsContact O-N 3.14Å; V80-L90 HydrophobicContact CG2-CD1 3.88Å; V80-L90 HydrophobicContact CG2-CG 4.36Å
81	G	96.8	Very high	95.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.3	161.5	0	0	0	0	0	109.5	R63 S64	R63-G81 PolarHBondContact N-O 3.11Å; S64-G81 PolarHBondContact N-O 2.79Å; S64-G81 VanDerWaalsContact N-O 3.12Å; S64-G81 PolarHBondContact O-N 3.14Å; S64-G81 WeakPolarHBondContact OG-CA 3.42Å
82	S	96.5	Very high	95.6	Very high	1 Å²	1	19 Å²	19	1%	0.007	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	173.8	-179.2	62.1	0	0	0	0	112.2	V61 S84 C1156	V61-S82 CarbonylContact O-C 3.58Å; V61-S82 WeakPolarHBondContact O-CA 3.16Å; V61-S82 WeakPolarHBondContact O-CB 3.31Å; S82-S84 PolarHBondContact O-N 3.5Å; S82-S84 VanDerWaalsContact O-N 3.09Å; S82-S84 PolarHBondContact OG-N 3.04Å; S82-S84 PolarHBondContact OG-OG 3.24Å; S82-C1156 PolarHBondContact OG-O 2.92Å
83	D	96.1	Very high	96	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	4.9	171.6	80.1	-43.6	0	0	0	114	G60 V61 G85 S110 G111 R1158 Y1166	G60-D83 VanDerWaalsContact CA-OD1 3.25Å; G60-D83 WeakPolarHBondContact CA-OD1 3.48Å; V61-D83 HydrophobicContact CB-CB 4.14Å; V61-D83 PolarHBondContact N-OD1 3.49Å; V61-D83 PolarHBondContact O-N 2.93Å; D83-G85 PolarHBondContact O-N 2.91Å; D83-S110 CarbonylContact O-C 3.55Å; D83-S110 WeakPolarHBondContact O-CA 3.41Å; D83-S110 WeakPolarHBondContact O-CB 3.49Å; D83-G111 PolarHBondContact O-N 2.99Å; D83-R1158 IonicContact OD1-NE 3.74Å; D83-R1158 WeakPolarHBondContact OD2-CD 3.36Å; D83-R1158 IonicContact OD2-CZ 3.14Å; D83-R1158 IonicContact OD2-NE 3.7Å; D83-R1158 PolarHBondContact OD2-NE 2.6Å; D83-R1158 IonicContact OD2-NH2 3.96Å; D83-Y1166 VanDerWaalsContact OD2-CE2 3.31Å; D83-Y1166 WeakPolarHBondContact OD2-CE2 3.24Å
84	S	96.6	Very high	96.1	Very high	8 Å²	8	18.7 Å²	18.7	6%	0.056	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-17.9	173.6	65.6	0	0	0	0	113.4	S82 R86 C1156	S82-S84 PolarHBondContact O-N 3.5Å; S82-S84 VanDerWaalsContact O-N 3.09Å; S82-S84 PolarHBondContact OG-N 3.04Å; S82-S84 PolarHBondContact OG-OG 3.24Å; S84-R86 VanDerWaalsContact C-N 3.29Å; S84-R86 VanDerWaalsContact OG-CB 3.31Å; S84-R86 WeakPolarHBondContact OG-CB 3.23Å; S84-R86 PolarHBondContact OG-N 2.91Å; S84-C1156 WeakPolarHBondContact CB-O 3.38Å; S84-C1156 PolarHBondContact OG-O 2.63Å; S84-C1156 VanDerWaalsContact OG-O 3.04Å
85	G	95.9	Very high	96	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.01	11%	0.105	C	C	.	.	S	Bend	trans	73.7	24.5	-168.6	0	0	0	0	0	112.5	D83 F107 G108	D83-G85 PolarHBondContact O-N 2.91Å; G85-F107 PolarHBondContact O-N 3.39Å; G85-G108 PolarHBondContact O-N 3.47Å
86	R	96.2	Very high	95.6	Very high	77 Å²	77	23.6 Å²	23.6	29%	0.291	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.7	-177.6	-51.4	-177	164	159.2	-3.7	111.1	S84 Q104 E105 T106 G1157	S84-R86 VanDerWaalsContact C-N 3.29Å; S84-R86 VanDerWaalsContact OG-CB 3.31Å; S84-R86 WeakPolarHBondContact OG-CB 3.23Å; S84-R86 PolarHBondContact OG-N 2.91Å; R86-Q104 HydrophobicContact CB-CG 4.33Å; R86-E105 CarbonylContact C-O 3.55Å; R86-E105 WeakPolarHBondContact CA-O 3.36Å; R86-E105 WeakPolarHBondContact CB-O 3.43Å; R86-T106 HydrophobicContact CG-CG2 4.3Å; R86-T106 PolarHBondContact NE-OG1 2.93Å; R86-G1157 PolarHBondContact NH1-O 2.81Å
87	I	96.5	Very high	95.2	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.1	166.7	-172.3	168.1	0	0	0	107.6	V79 Q104 E105 F107 V130 Y142	V79-I87 HydrophobicContact CG1-CD1 3.85Å; V79-I87 HydrophobicContact CG1-CG1 3.76Å; I87-Q104 WeakPolarHBondContact O-CA 3.49Å; I87-E105 HydrophobicContact CG2-CB 3.92Å; I87-E105 PolarHBondContact N-O 3.19Å; I87-E105 PolarHBondContact O-N 3.13Å; I87-F107 HydrophobicContact CB-CD1 4.07Å; I87-F107 HydrophobicContact CB-CE1 3.86Å; I87-F107 HydrophobicContact CG2-CD1 4.25Å; I87-V130 HydrophobicContact CD1-CG1 4.46Å; I87-Y142 HydrophobicContact CD1-CD2 3.77Å; I87-Y142 HydrophobicContact CD1-CE2 3.92Å; I87-Y142 HydrophobicContact CD1-CG 4.4Å; I87-Y142 HydrophobicContact CG2-CE1 4.24Å; I87-Y142 HydrophobicContact CG2-CE2 4.08Å
88	V	97.4	Very high	94.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.1	-177.4	178	0	0	0	0	109.2	V79 V80 L90 K101 H103 Q104	V79-V88 WeakPolarHBondContact CA-O 3.24Å; V80-V88 HydrophobicContact CB-CB 4.44Å; V80-V88 PolarHBondContact N-O 3.39Å; V80-V88 PolarHBondContact O-N 3.32Å; V80-V88 VanDerWaalsContact O-N 3.14Å; V88-L90 HydrophobicContact CG1-CD2 3.55Å; V88-L90 HydrophobicContact CG1-CG 4.05Å; V88-K101 HydrophobicContact CG1-CD 4.14Å; V88-K101 HydrophobicContact CG1-CG 4.06Å; V88-H103 WeakPolarHBondContact CA-O 3.3Å; V88-Q104 HydrophobicContact CG2-CB 4.39Å; V88-Q104 HydrophobicContact CG2-CG 4Å
89	I	97.6	Very high	94.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.5	172.5	-52.8	-177.1	0	0	0	109.2	F68 Y77 I78 V79 I102 H103 L144 L152 I154	F68-I89 HydrophobicContact CE1-CD1 4.45Å; F68-I89 HydrophobicContact CE1-CG2 3.86Å; F68-I89 HydrophobicContact CZ-CD1 4.24Å; F68-I89 HydrophobicContact CZ-CG2 4Å; Y77-I89 HydrophobicContact CD1-CG2 4.31Å; I78-I89 CarbonylContact O-C 3.54Å; I78-I89 VanDerWaalsContact O-CA 3.32Å; I78-I89 WeakPolarHBondContact O-CA 3.44Å; V79-I89 HydrophobicContact CG2-CG1 4.26Å; I89-I102 PolarHBondContact O-N 3.41Å; I89-H103 HydrophobicContact CB-CB 4.08Å; I89-H103 HydrophobicContact CD1-CB 4.35Å; I89-H103 HydrophobicContact CG1-CB 4.25Å; I89-H103 PolarHBondContact N-O 3.33Å; I89-H103 PolarHBondContact O-N 2.96Å; I89-L144 HydrophobicContact CD1-CD2 3.91Å; I89-L152 HydrophobicContact CB-CD2 4.26Å; I89-L152 HydrophobicContact CD1-CD2 3.85Å; I89-L152 HydrophobicContact CG2-CD2 3.54Å; I89-I154 HydrophobicContact CD1-CD1 4.16Å
90	L	97.9	Very high	94.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.4	-179.2	-51.3	175	0	0	0	110.9	L38 I78 V80 V88 F99 E100 K101 L1155	L38-L90 HydrophobicContact CD2-CD1 3.53Å; I78-L90 HydrophobicContact CB-CB 4.19Å; I78-L90 PolarHBondContact N-O 2.99Å; I78-L90 PolarHBondContact O-N 3.3Å; V80-L90 HydrophobicContact CG2-CD1 3.88Å; V80-L90 HydrophobicContact CG2-CG 4.36Å; V88-L90 HydrophobicContact CG1-CD2 3.55Å; V88-L90 HydrophobicContact CG1-CG 4.05Å; L90-F99 HydrophobicContact CD1-CB 4.39Å; L90-E100 CarbonylContact C-O 3.52Å; L90-E100 VanDerWaalsContact CA-O 3.31Å; L90-E100 WeakPolarHBondContact CA-O 3.45Å; L90-K101 HydrophobicContact CD2-CB 4.16Å; L90-K101 HydrophobicContact CD2-CG 4.43Å; L90-L1155 HydrophobicContact CD1-CD2 3.85Å; L90-L1155 HydrophobicContact CD1-CG 4.31Å; L90-L1155 HydrophobicContact CD2-CD1 3.78Å; L90-L1155 HydrophobicContact CD2-CD2 4.26Å; L90-L1155 HydrophobicContact CD2-CG 3.93Å
91	E	96.6	Very high	94.5	Very high	30 Å²	30	35.9 Å²	35.9	14%	0.14	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.7	168.2	-178.9	178	177.7	0	0	108.4	K75 Y77 Q93 E100 I102	K75-E91 HydrophobicContact CD-CG 4.27Å; K75-E91 WeakPolarHBondContact CE-OE1 3.33Å; K75-E91 VanDerWaalsContact NZ-CG 3.28Å; K75-E91 IonicContact NZ-OE1 3.78Å; K75-E91 PolarHBondContact NZ-OE1 3.45Å; Y77-E91 HydrophobicContact CD1-CB 3.97Å; Y77-E91 HydrophobicContact CD1-CG 4.36Å; Y77-E91 HydrophobicContact CE1-CB 3.97Å; Y77-E91 HydrophobicContact CE1-CG 4.07Å; E91-Q93 PolarHBondContact OE1-NE2 3.31Å; E91-Q93 PolarHBondContact OE2-NE2 2.96Å; E91-E100 PolarHBondContact N-O 3.45Å; E91-E100 PolarHBondContact O-N 3.5Å; E91-I102 HydrophobicContact CB-CD1 3.83Å; E91-I102 HydrophobicContact CB-CG1 3.48Å; E91-I102 VanDerWaalsContact CB-CG1 3.48Å; E91-I102 VanDerWaalsContact OE2-CD1 3.28Å; E91-I102 WeakPolarHBondContact OE2-CD1 3.45Å
92	Y	96.9	Very high	94.3	Very high	10 Å²	10	38.2 Å²	38.2	4%	0.039	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	126.8	172.9	175.1	-120.5	0	0	0	110	F22 L40 L54 K75 P94 N97 F99	F22-Y92 HydrophobicContact CB-CD1 4.49Å; L40-Y92 HydrophobicContact CD2-CD1 3.58Å; L40-Y92 HydrophobicContact CD2-CD2 3.71Å; L40-Y92 HydrophobicContact CD2-CE1 3.41Å; L40-Y92 VanDerWaalsContact CD2-CE1 3.41Å; L40-Y92 HydrophobicContact CD2-CE2 3.56Å; L40-Y92 HydrophobicContact CD2-CG 3.72Å; L40-Y92 VanDerWaalsContact CD2-CZ 3.4Å; L54-Y92 HydrophobicContact CD2-CD2 4.14Å; L54-Y92 HydrophobicContact CD2-CE2 4Å; K75-Y92 WeakPolarHBondContact CE-O 3.44Å; K75-Y92 PolarHBondContact NZ-O 2.93Å; Y92-P94 HydrophobicContact CD1-CG 4.12Å; Y92-P94 HydrophobicContact CE1-CB 4.21Å; Y92-P94 HydrophobicContact CE1-CG 3.86Å; Y92-P94 WeakPolarHBondContact O-CD 3.38Å; Y92-N97 WeakPolarHBondContact CE2-OD1 3.17Å; Y92-N97 PolarHBondContact OH-OD1 3.11Å; Y92-F99 HydrophobicContact CD2-CD1 4.31Å; Y92-F99 HydrophobicContact CD2-CE1 4.25Å; Y92-F99 HydrophobicContact CG-CE1 4.43Å
93	Q	93.8	Very high	94.3	Very high	38 Å²	38	40.7 Å²	40.7	18%	0.178	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	102.3	176.8	-63	-61.8	0.1	0	0	110.3	E91 S95 K96 N97 M98 E100	E91-Q93 PolarHBondContact OE1-NE2 3.31Å; E91-Q93 PolarHBondContact OE2-NE2 2.96Å; Q93-S95 VanDerWaalsContact C-N 3.33Å; Q93-S95 PolarHBondContact O-N 3.43Å; Q93-K96 HydrophobicContact CB-CB 4.4Å; Q93-K96 PolarHBondContact O-N 2.76Å; Q93-N97 WeakPolarHBondContact O-CA 3.49Å; Q93-N97 PolarHBondContact O-N 2.7Å; Q93-M98 PolarHBondContact N-O 2.74Å; Q93-M98 PolarHBondContact O-N 3.3Å; Q93-E100 HydrophobicContact CG-CB 3.98Å; Q93-E100 WeakPolarHBondContact CG-OE2 3.34Å; Q93-E100 PolarHBondContact NE2-OE2 2.95Å
94	P	90.5	Very high	94.2	Very high	54 Å²	54	43.5 Å²	43.5	35%	0.351	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-60.6	-38.3	-175.9	-25	34.1	0	0	0	113.8	Y92 K96 N97	Y92-P94 HydrophobicContact CD1-CG 4.12Å; Y92-P94 HydrophobicContact CE1-CB 4.21Å; Y92-P94 HydrophobicContact CE1-CG 3.86Å; Y92-P94 WeakPolarHBondContact O-CD 3.38Å; P94-K96 PolarHBondContact O-N 2.85Å; P94-N97 PolarHBondContact O-N 2.91Å
95	S	88.2	Confident	94.1	Very high	115 Å²	115	45.3 Å²	45.3	80%	0.804	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-64.2	-28.2	-178.7	54.4	0	0	0	0	113.6	Q93	Q93-S95 VanDerWaalsContact C-N 3.33Å; Q93-S95 PolarHBondContact O-N 3.43Å
96	K	85.1	Confident	94.1	Very high	118 Å²	118	49 Å²	49	51%	0.513	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-105.2	-2.6	177.6	-67	-170.8	178.7	-169.6	0	112.9	Q93 P94 M98 E1186	Q93-K96 HydrophobicContact CB-CB 4.4Å; Q93-K96 PolarHBondContact O-N 2.76Å; P94-K96 PolarHBondContact O-N 2.85Å; K96-M98 VanDerWaalsContact C-N 3.3Å; K96-M98 HydrophobicContact CB-CE 3.93Å; K96-M98 HydrophobicContact CB-CG 3.68Å; K96-M98 HydrophobicContact CB-SD 3.95Å; K96-M98 HydrophobicContact CD-CE 4.21Å; K96-M98 HydrophobicContact CD-CG 4.48Å; K96-M98 HydrophobicContact CD-SD 3.82Å; K96-M98 PolarHBondContact O-N 2.85Å; K96-E1186 IonicContact NZ-OE1 3.07Å
97	N	88.3	Confident	94	Very high	60 Å²	60	47 Å²	47	32%	0.321	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	38.4	55.3	-168.7	-166.9	19.5	0	0	0	113.3	L53 L54 Y92 Q93 P94	L53-N97 PolarHBondContact O-ND2 2.89Å; L53-N97 PolarHBondContact O-OD1 3.41Å; L54-N97 WeakPolarHBondContact CD1-O 3.36Å; Y92-N97 WeakPolarHBondContact CE2-OD1 3.17Å; Y92-N97 PolarHBondContact OH-OD1 3.11Å; Q93-N97 WeakPolarHBondContact O-CA 3.49Å; Q93-N97 PolarHBondContact O-N 2.7Å; P94-N97 PolarHBondContact O-N 2.91Å
98	M	91.8	Very high	93.9	Very high	64 Å²	64	48.1 Å²	48.1	32%	0.315	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.2	-178.5	65.9	177.5	51.5	0	0	112.5	Q93 K96	Q93-M98 PolarHBondContact N-O 2.74Å; Q93-M98 PolarHBondContact O-N 3.3Å; K96-M98 VanDerWaalsContact C-N 3.3Å; K96-M98 HydrophobicContact CB-CE 3.93Å; K96-M98 HydrophobicContact CB-CG 3.68Å; K96-M98 HydrophobicContact CB-SD 3.95Å; K96-M98 HydrophobicContact CD-CE 4.21Å; K96-M98 HydrophobicContact CD-CG 4.48Å; K96-M98 HydrophobicContact CD-SD 3.82Å; K96-M98 PolarHBondContact O-N 2.85Å
99	F	95.5	Very high	93.8	Very high	13 Å²	13	55.4 Å²	55.4	6%	0.057	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	112.9	164.6	-69.3	-61.8	0	0	0	109.6	V31 L38 L40 L54 V56 I78 L90 Y92 L1155	V31-F99 HydrophobicContact CG2-CZ 4.4Å; L38-F99 HydrophobicContact CD2-CD2 3.89Å; L38-F99 HydrophobicContact CD2-CE2 3.72Å; L38-F99 HydrophobicContact CD2-CG 4.39Å; L38-F99 HydrophobicContact CD2-CZ 4.07Å; L38-F99 HydrophobicContact CG-CE2 4Å; L38-F99 HydrophobicContact CG-CZ 4.37Å; L40-F99 HydrophobicContact CB-CZ 3.97Å; L54-F99 HydrophobicContact CD2-CD2 3.54Å; L54-F99 HydrophobicContact CD2-CE2 3.7Å; L54-F99 HydrophobicContact CD2-CG 4.06Å; L54-F99 HydrophobicContact CD2-CZ 4.33Å; L54-F99 HydrophobicContact CG-CD2 4.36Å; L54-F99 HydrophobicContact CG-CE2 4.23Å; V56-F99 HydrophobicContact CG2-CD2 3.95Å; I78-F99 HydrophobicContact CD1-CD1 3.99Å; I78-F99 HydrophobicContact CD1-CE1 3.46Å; I78-F99 VanDerWaalsContact CD1-CE1 3.46Å; I78-F99 HydrophobicContact CD1-CZ 4.27Å; L90-F99 HydrophobicContact CD1-CB 4.39Å; Y92-F99 HydrophobicContact CD2-CD1 4.31Å; Y92-F99 HydrophobicContact CD2-CE1 4.25Å; Y92-F99 HydrophobicContact CG-CE1 4.43Å; F99-L1155 HydrophobicContact CB-CD1 4.38Å; F99-L1155 HydrophobicContact CB-CD2 3.85Å; F99-L1155 HydrophobicContact CD2-CD2 4.31Å; F99-L1155 HydrophobicContact CG-CD2 4.44Å
100	E	94.7	Very high	93.6	Very high	84 Å²	84	57.4 Å²	57.4	39%	0.393	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129.9	172.2	-171.8	175.2	-175.6	0	0	109.9	L90 E91 Q93 I102	L90-E100 CarbonylContact C-O 3.52Å; L90-E100 VanDerWaalsContact CA-O 3.31Å; L90-E100 WeakPolarHBondContact CA-O 3.45Å; E91-E100 PolarHBondContact N-O 3.45Å; E91-E100 PolarHBondContact O-N 3.5Å; Q93-E100 HydrophobicContact CG-CB 3.98Å; Q93-E100 WeakPolarHBondContact CG-OE2 3.34Å; Q93-E100 PolarHBondContact NE2-OE2 2.95Å; E100-I102 HydrophobicContact CB-CD1 4.25Å; E100-I102 HydrophobicContact CG-CD1 3.85Å; E100-I102 PolarHBondContact O-N 3.49Å
101	K	95	Very high	93.4	Very high	77 Å²	77	57.8 Å²	57.8	34%	0.335	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	94.9	175.5	-177.2	169.1	69.4	-173.3	0	110.2	V88 L90 Q104 L1155	V88-K101 HydrophobicContact CG1-CD 4.14Å; V88-K101 HydrophobicContact CG1-CG 4.06Å; L90-K101 HydrophobicContact CD2-CB 4.16Å; L90-K101 HydrophobicContact CD2-CG 4.43Å; K101-Q104 HydrophobicContact CD-CB 4.01Å; K101-Q104 HydrophobicContact CG-CB 4.38Å; K101-L1155 HydrophobicContact CB-CD1 4.38Å; K101-L1155 WeakPolarHBondContact CD-O 3.36Å
102	I	94.5	Very high	93.2	Very high	50 Å²	50	59.4 Å²	59.4	26%	0.256	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-35.3	-178.8	-54.6	-59.6	0	0	0	111.4	Y77 I89 E91 E100 L152	Y77-I102 HydrophobicContact CE1-CG1 4.48Å; I89-I102 PolarHBondContact O-N 3.41Å; E91-I102 HydrophobicContact CB-CD1 3.83Å; E91-I102 HydrophobicContact CB-CG1 3.48Å; E91-I102 VanDerWaalsContact CB-CG1 3.48Å; E91-I102 VanDerWaalsContact OE2-CD1 3.28Å; E91-I102 WeakPolarHBondContact OE2-CD1 3.45Å; E100-I102 HydrophobicContact CB-CD1 4.25Å; E100-I102 HydrophobicContact CG-CD1 3.85Å; E100-I102 PolarHBondContact O-N 3.49Å; I102-L152 HydrophobicContact CG2-CB 4.18Å; I102-L152 HydrophobicContact CG2-CD2 4.28Å
103	H	94.8	Very high	93.1	Very high	53 Å²	53	64.7 Å²	64.7	25%	0.245	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	146.9	178.9	-162.6	77.9	0	0	0	112.6	V88 I89 I154	V88-H103 WeakPolarHBondContact CA-O 3.3Å; I89-H103 HydrophobicContact CB-CB 4.08Å; I89-H103 HydrophobicContact CD1-CB 4.35Å; I89-H103 HydrophobicContact CG1-CB 4.25Å; I89-H103 PolarHBondContact N-O 3.33Å; I89-H103 PolarHBondContact O-N 2.96Å; H103-I154 VanDerWaalsContact CD2-CG2 3.43Å; H103-I154 WeakPolarHBondContact CD2-CG2 3.14Å; H103-I154 WeakPolarHBondContact CE1-CG2 3.41Å; H103-I154 WeakPolarHBondContact NE2-CG2 3.4Å
104	Q	95	Very high	93.1	Very high	60 Å²	60	69.6 Å²	69.6	28%	0.28	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	120.2	171.7	179.1	-174.7	-69	0	0	110	R86 I87 V88 K101 G1157	R86-Q104 HydrophobicContact CB-CG 4.33Å; I87-Q104 WeakPolarHBondContact O-CA 3.49Å; V88-Q104 HydrophobicContact CG2-CB 4.39Å; V88-Q104 HydrophobicContact CG2-CG 4Å; K101-Q104 HydrophobicContact CD-CB 4.01Å; K101-Q104 HydrophobicContact CG-CB 4.38Å; Q104-G1157 VanDerWaalsContact OE1-CA 3.26Å
105	E	94.6	Very high	93.4	Very high	46 Å²	46	71.1 Å²	71.1	22%	0.215	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	138.7	177.3	-163	-174.4	113.6	0	0	111.1	R86 I87 Y142 P157	R86-E105 CarbonylContact C-O 3.55Å; R86-E105 WeakPolarHBondContact CA-O 3.36Å; R86-E105 WeakPolarHBondContact CB-O 3.43Å; I87-E105 HydrophobicContact CG2-CB 3.92Å; I87-E105 PolarHBondContact N-O 3.19Å; I87-E105 PolarHBondContact O-N 3.13Å; E105-Y142 WeakPolarHBondContact OE1-CE1 3.49Å; E105-Y142 PolarHBondContact OE1-OH 3.29Å; E105-P157 VanDerWaalsContact OE1-CD 3.24Å; E105-P157 WeakPolarHBondContact OE1-CD 3.2Å
106	T	95.4	Very high	93.8	Very high	79 Å²	79	66.1 Å²	66.1	49%	0.485	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.5	176.1	-53.9	0	0	0	0	110.2	R86	R86-T106 HydrophobicContact CG-CG2 4.3Å; R86-T106 PolarHBondContact NE-OG1 2.93Å
107	F	94	Very high	94.3	Very high	34 Å²	34	60.5 Å²	60.5	15%	0.149	30%	0.298	C	S	.	.			trans	-114.6	-12.3	176.5	58.2	-112.3	0	0	0	113.3	G85 I87 V116 P117 I132 L140	G85-F107 PolarHBondContact O-N 3.39Å; I87-F107 HydrophobicContact CB-CD1 4.07Å; I87-F107 HydrophobicContact CB-CE1 3.86Å; I87-F107 HydrophobicContact CG2-CD1 4.25Å; F107-V116 HydrophobicContact CD2-CG1 4.31Å; F107-V116 HydrophobicContact CE2-CG1 3.77Å; F107-P117 HydrophobicContact CD2-CB 4Å; F107-P117 HydrophobicContact CD2-CG 4.05Å; F107-P117 HydrophobicContact CE2-CB 3.66Å; F107-P117 HydrophobicContact CE2-CG 4.15Å; F107-P117 WeakPolarHBondContact CE2-O 3.23Å; F107-P117 HydrophobicContact CZ-CB 4.09Å; F107-P117 VanDerWaalsContact CZ-O 3.24Å; F107-P117 WeakPolarHBondContact CZ-O 3.49Å; F107-I132 HydrophobicContact CE1-CD1 3.62Å; F107-I132 HydrophobicContact CZ-CD1 3.78Å; F107-L140 HydrophobicContact CB-CD1 3.45Å; F107-L140 VanDerWaalsContact CB-CD1 3.45Å; F107-L140 HydrophobicContact CD2-CD1 4.36Å; F107-L140 HydrophobicContact CG-CD1 3.92Å
108	G	94.8	Very high	94.5	Very high	24 Å²	24	57.6 Å²	57.6	25%	0.247	28%	0.283	C	S	.	.	S	Bend	trans	-162.6	-178.6	-174.3	0	0	0	0	0	114.3	G85	G85-G108 PolarHBondContact O-N 3.47Å
109	K	95.2	Very high	94.7	Very high	154 Å²	154	57.7 Å²	57.7	67%	0.67	28%	0.282	S	S	*	.			trans	-76.1	147.1	176.5	-65.7	-176.3	179.6	179.6	0	110.6
110	S	93.9	Very high	94.8	Very high	43 Å²	43	58.8 Å²	58.8	30%	0.301	29%	0.287	S	S	.	.	S	Bend	trans	-63.9	156	173.1	62.7	0	0	0	0	113	D83 R113 R1158	D83-S110 CarbonylContact O-C 3.55Å; D83-S110 WeakPolarHBondContact O-CA 3.41Å; D83-S110 WeakPolarHBondContact O-CB 3.49Å; S110-R113 PolarHBondContact O-NE 2.93Å; S110-R113 PolarHBondContact O-NH2 3.41Å; S110-R1158 PolarHBondContact OG-NH1 3.38Å
111	G	92.9	Very high	95	Very high	7 Å²	7	55.5 Å²	55.5	7%	0.072	27%	0.272	C	S	.	.	S	Bend	trans	106.5	161.6	-176.7	0	0	0	0	0	113	D83 R113 Y1166	D83-G111 PolarHBondContact O-N 2.99Å; G111-R113 VanDerWaalsContact C-N 3.3Å; G111-R113 PolarHBondContact O-N 3.21Å; G111-Y1166 WeakPolarHBondContact CA-OH 3.25Å
112	C	92.7	Very high	95.1	Very high	64 Å²	64	51.9 Å²	51.9	43%	0.432	26%	0.257	S	S	.	.	S	Bend	trans	-81.4	76.1	175.4	-62.8	0	0	0	0	109.2	Y1166	C112-Y1166 PolarHBondContact N-OH 2.91Å
113	R	94.1	Very high	95.3	Very high	122 Å²	122	50.1 Å²	50.1	46%	0.46	25%	0.248	S	C	.	.			trans	-98.2	141.5	-175.5	-59.5	172.4	-177.7	-87.9	-4.4	110.7	S110 G111 I115 V116	S110-R113 PolarHBondContact O-NE 2.93Å; S110-R113 PolarHBondContact O-NH2 3.41Å; G111-R113 VanDerWaalsContact C-N 3.3Å; G111-R113 PolarHBondContact O-N 3.21Å; R113-I115 VanDerWaalsContact C-N 3.3Å; R113-I115 PolarHBondContact O-N 2.87Å; R113-V116 HydrophobicContact CB-CB 4.02Å; R113-V116 HydrophobicContact CB-CG2 3.84Å; R113-V116 HydrophobicContact CG-CG2 4.38Å; R113-V116 PolarHBondContact O-N 2.84Å
114	R	95.1	Very high	95.4	Very high	141 Å²	141	47.7 Å²	47.7	53%	0.532	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-42.9	177.6	-82.8	174	50	161	-3.3	113.4	A134 I135 E136	R114-A134 WeakPolarHBondContact O-CB 3.48Å; R114-I135 PolarHBondContact O-N 2.71Å; R114-I135 VanDerWaalsContact O-N 3.13Å; R114-E136 HydrophobicContact CB-CB 4.33Å; R114-E136 WeakPolarHBondContact CB-OE2 3.34Å; R114-E136 IonicContact CZ-OE2 3.73Å; R114-E136 VanDerWaalsContact CZ-OE2 3.23Å; R114-E136 IonicContact NE-OE2 2.81Å; R114-E136 PolarHBondContact NE-OE2 2.78Å; R114-E136 IonicContact NH2-OE1 3.14Å; R114-E136 PolarHBondContact NH2-OE1 2.8Å; R114-E136 IonicContact NH2-OE2 2.69Å; R114-E136 PolarHBondContact NH2-OE2 2.85Å; R114-E136 PolarHBondContact O-N 2.87Å
115	I	95.5	Very high	95.4	Very high	86 Å²	86	47.6 Å²	47.6	44%	0.441	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-5.6	-175.1	63.5	166.2	0	0	0	114.7	R113 E136 Q138	R113-I115 VanDerWaalsContact C-N 3.3Å; R113-I115 PolarHBondContact O-N 2.87Å; I115-E136 HydrophobicContact CG2-CB 4.28Å; I115-E136 HydrophobicContact CG2-CG 4.17Å; I115-Q138 WeakPolarHBondContact O-CB 3.46Å; I115-Q138 WeakPolarHBondContact O-CG 3.39Å; I115-Q138 PolarHBondContact O-OE1 3.24Å
116	V	96.7	Very high	95.4	Very high	9 Å²	9	47 Å²	47	6%	0.055	24%	0.238	C	C	.	.	S	Bend	trans	-99.6	127.7	-179.1	175.4	0	0	0	0	109.1	R63 F107 R113 A134	R63-V116 PolarHBondContact NH1-O 2.85Å; F107-V116 HydrophobicContact CD2-CG1 4.31Å; F107-V116 HydrophobicContact CE2-CG1 3.77Å; R113-V116 HydrophobicContact CB-CB 4.02Å; R113-V116 HydrophobicContact CB-CG2 3.84Å; R113-V116 HydrophobicContact CG-CG2 4.38Å; R113-V116 PolarHBondContact O-N 2.84Å; V116-A134 VanDerWaalsContact C-CB 3.5Å
117	P	95.9	Very high	95.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-54.5	154.1	179.1	-27.1	33.9	0	0	0	114.1	F107 I132 A134 Q138 L140	F107-P117 HydrophobicContact CD2-CB 4Å; F107-P117 HydrophobicContact CD2-CG 4.05Å; F107-P117 HydrophobicContact CE2-CB 3.66Å; F107-P117 HydrophobicContact CE2-CG 4.15Å; F107-P117 WeakPolarHBondContact CE2-O 3.23Å; F107-P117 HydrophobicContact CZ-CB 4.09Å; F107-P117 VanDerWaalsContact CZ-O 3.24Å; F107-P117 WeakPolarHBondContact CZ-O 3.49Å; P117-I132 HydrophobicContact CB-CG1 3.97Å; P117-I132 HydrophobicContact CB-CG2 4.15Å; P117-A134 HydrophobicContact CG-CB 4.44Å; P117-Q138 HydrophobicContact CG-CB 3.92Å; P117-L140 HydrophobicContact CG-CD1 4.13Å; P117-L140 HydrophobicContact CG-CG 4.36Å
118	G	93.5	Very high	95.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.			trans	130	-4.1	175	0	0	0	0	0	115.1	R63 S64 S133	R63-G118 CarbonylContact C-O 3.55Å; R63-G118 WeakPolarHBondContact CB-O 3.29Å; S64-G118 PolarHBondContact OG-O 2.99Å; G118-S133 PolarHBondContact N-O 2.95Å
119	Q	95.9	Very high	95.5	Very high	65 Å²	65	41.9 Å²	41.9	30%	0.304	20%	0.202	S	C	.	.	S	Bend	trans	-74.8	-45.1	171.5	-171.6	60.5	34	0	0	111.7	S133 I135	Q119-S133 PolarHBondContact N-O 2.95Å; Q119-I135 HydrophobicContact CB-CD1 4.48Å; Q119-I135 HydrophobicContact CB-CG1 3.82Å; Q119-I135 HydrophobicContact CG-CD1 4.08Å; Q119-I135 HydrophobicContact CG-CG1 3.65Å
120	F	97.5	Very high	95.6	Very high	37 Å²	37	34.6 Å²	34.6	16%	0.162	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.2	-178.7	-51.1	-73.7	0	0	0	109.5	I132 S133 I135 V167 Y168 V170	F120-I132 WeakPolarHBondContact O-CA 3.38Å; F120-S133 PolarHBondContact N-O 2.74Å; F120-S133 PolarHBondContact O-N 3.14Å; F120-I135 HydrophobicContact CE2-CG1 4.3Å; F120-V167 HydrophobicContact CD2-CB 4.27Å; F120-V167 HydrophobicContact CD2-CG1 3.84Å; F120-V167 HydrophobicContact CE2-CB 4.05Å; F120-V167 HydrophobicContact CE2-CG1 3.95Å; F120-V167 WeakPolarHBondContact CE2-O 3.47Å; F120-V167 WeakPolarHBondContact CZ-O 3.32Å; F120-Y168 WeakPolarHBondContact CE1-O 3.42Å; F120-Y168 VanDerWaalsContact CZ-O 3.3Å; F120-Y168 WeakPolarHBondContact CZ-O 3.5Å; F120-V170 HydrophobicContact CB-CB 4.15Å; F120-V170 HydrophobicContact CB-CG2 3.78Å; F120-V170 HydrophobicContact CG-CG2 4.24Å
121	L	97.5	Very high	95.8	Very high	14 Å²	14	32.6 Å²	32.6	7%	0.073	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	127	-177.7	-173.5	65.2	0	0	0	108.1	M66 V79 V130 M131 I132	M66-L121 HydrophobicContact CB-CD2 3.71Å; M66-L121 HydrophobicContact CB-CG 4.05Å; M66-L121 HydrophobicContact CG-CB 3.99Å; M66-L121 HydrophobicContact CG-CD2 3.73Å; M66-L121 HydrophobicContact CG-CG 3.73Å; V79-L121 HydrophobicContact CB-CD2 3.99Å; V79-L121 HydrophobicContact CG1-CD1 3.99Å; V79-L121 HydrophobicContact CG1-CD2 3.92Å; V79-L121 WeakPolarHBondContact O-CD2 2.95Å; L121-V130 HydrophobicContact CD1-CG1 3.52Å; L121-V130 HydrophobicContact CG-CG1 4.45Å; L121-M131 WeakPolarHBondContact CA-O 3.31Å; L121-I132 HydrophobicContact CD1-CB 4.05Å; L121-I132 HydrophobicContact CD1-CD1 4.43Å; L121-I132 HydrophobicContact CD1-CG1 4.25Å
122	A	98.2	Very high	96	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.7	-179.9	0	0	0	0	0	109.6	V130 M131 V170 F182	A122-V130 CarbonylContact O-C 3.58Å; A122-V130 WeakPolarHBondContact O-CA 3.17Å; A122-V130 WeakPolarHBondContact O-CG1 3.42Å; A122-M131 HydrophobicContact CB-CB 4.45Å; A122-M131 PolarHBondContact N-O 2.89Å; A122-M131 PolarHBondContact O-N 3.32Å; A122-V170 HydrophobicContact CB-CB 4.29Å; A122-V170 HydrophobicContact CB-CG1 3.62Å; A122-F182 HydrophobicContact CB-CD1 3.92Å; A122-F182 HydrophobicContact CB-CE1 4.29Å
123	V	97.8	Very high	96.3	Very high	14 Å²	14	29.2 Å²	29.2	9%	0.085	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.5	-179.1	-176.3	0	0	0	0	109.1	M66 F68 P125 V130	M66-V123 HydrophobicContact CB-CG2 3.81Å; M66-V123 HydrophobicContact CE-CB 4.49Å; M66-V123 HydrophobicContact CE-CG2 4.24Å; M66-V123 HydrophobicContact CG-CG2 4.39Å; F68-V123 HydrophobicContact CB-CG1 3.57Å; F68-V123 HydrophobicContact CB-CG2 4.44Å; F68-V123 HydrophobicContact CG-CG1 4.46Å; V123-P125 WeakPolarHBondContact O-CD 3.21Å; V123-V130 HydrophobicContact CG1-CG2 4.21Å; V123-V130 HydrophobicContact CG2-CG1 4.35Å; V123-V130 HydrophobicContact CG2-CG2 4.08Å
124	D	97.1	Very high	96.4	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	11%	0.111	C	C	.	.			trans	-54.6	124.5	165.7	168.1	68.3	0	0	0	108.9	K126 G127 R128 A129 P180	D124-K126 PolarHBondContact O-N 2.98Å; D124-K126 PolarHBondContact OD2-N 2.82Å; D124-G127 WeakPolarHBondContact O-CA 3.34Å; D124-G127 PolarHBondContact O-N 3.36Å; D124-G127 PolarHBondContact OD2-N 2.94Å; D124-R128 IonicContact OD1-CZ 3.69Å; D124-R128 IonicContact OD1-NE 2.64Å; D124-R128 IonicContact OD1-NH2 3.16Å; D124-R128 PolarHBondContact OD1-NH2 3.01Å; D124-R128 VanDerWaalsContact OD2-CB 3.3Å; D124-R128 WeakPolarHBondContact OD2-CB 3.33Å; D124-R128 WeakPolarHBondContact OD2-CG 3.19Å; D124-R128 IonicContact OD2-CZ 2.72Å; D124-R128 PolarHBondContact OD2-N 3.44Å; D124-R128 IonicContact OD2-NE 2.77Å; D124-R128 PolarHBondContact OD2-NE 3.39Å; D124-R128 IonicContact OD2-NH2 3.65Å; D124-A129 HydrophobicContact CB-CB 4.36Å; D124-A129 WeakPolarHBondContact CB-O 3.25Å; D124-A129 PolarHBondContact N-O 2.98Å; D124-P180 HydrophobicContact CB-CB 4.12Å
125	P	94.8	Very high	96.5	Very high	58 Å²	58	19.3 Å²	19.3	38%	0.377	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.5	-175	-31.9	40.7	0	0	0	115.3	V123 G127 D174	V123-P125 WeakPolarHBondContact O-CD 3.21Å; P125-G127 VanDerWaalsContact C-N 3.35Å; P125-D174 HydrophobicContact CB-CB 4.03Å; P125-D174 HydrophobicContact CG-CB 3.78Å
126	K	94.1	Very high	96.6	Very high	34 Å²	34	16.3 Å²	16.3	15%	0.148	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	4.7	172.5	-50.9	-49	-174.8	-151.2	0	113.9	T71 D124 R128 D174 G176 D243	T71-K126 PolarHBondContact OG1-O 3.24Å; D124-K126 PolarHBondContact O-N 2.98Å; D124-K126 PolarHBondContact OD2-N 2.82Å; K126-R128 HydrophobicContact CB-CG 4.33Å; K126-D174 VanDerWaalsContact CE-OD1 3.25Å; K126-D174 WeakPolarHBondContact CE-OD1 3.25Å; K126-D174 IonicContact NZ-OD1 2.63Å; K126-D174 PolarHBondContact NZ-OD1 3.05Å; K126-D174 IonicContact NZ-OD2 3.52Å; K126-D174 PolarHBondContact NZ-OD2 3.08Å; K126-G176 WeakPolarHBondContact CG-O 3.34Å; K126-D243 IonicContact NZ-OD2 2.83Å; K126-D243 PolarHBondContact NZ-OD2 3.06Å
127	G	94.5	Very high	96.6	Very high	2 Å²	2	20.3 Å²	20.3	2%	0.021	10%	0.099	C	C	.	.	S	Bend	trans	69.9	30.3	174.3	0	0	0	0	0	114.9	R69 D124 P125	R69-G127 WeakPolarHBondContact O-CA 3.29Å; D124-G127 WeakPolarHBondContact O-CA 3.34Å; D124-G127 PolarHBondContact O-N 3.36Å; D124-G127 PolarHBondContact OD2-N 2.94Å; P125-G127 VanDerWaalsContact C-N 3.35Å
128	R	94.9	Very high	96.7	Very high	28 Å²	28	22.6 Å²	22.6	11%	0.106	11%	0.11	C	C	.	.	S	Bend	trans	-93.7	-24.6	-177.1	-58.1	169.6	-66.2	165.2	2.7	113.4	D124 K126 L144 G176 F177 E178 P180	D124-R128 IonicContact OD1-CZ 3.69Å; D124-R128 IonicContact OD1-NE 2.64Å; D124-R128 IonicContact OD1-NH2 3.16Å; D124-R128 PolarHBondContact OD1-NH2 3.01Å; D124-R128 VanDerWaalsContact OD2-CB 3.3Å; D124-R128 WeakPolarHBondContact OD2-CB 3.33Å; D124-R128 WeakPolarHBondContact OD2-CG 3.19Å; D124-R128 IonicContact OD2-CZ 2.72Å; D124-R128 PolarHBondContact OD2-N 3.44Å; D124-R128 IonicContact OD2-NE 2.77Å; D124-R128 PolarHBondContact OD2-NE 3.39Å; D124-R128 IonicContact OD2-NH2 3.65Å; K126-R128 HydrophobicContact CB-CG 4.33Å; R128-L144 PolarHBondContact O-N 3.33Å; R128-G176 PolarHBondContact NH2-O 3.17Å; R128-G176 VanDerWaalsContact NH2-O 3.16Å; R128-F177 VanDerWaalsContact NH1-C 3.31Å; R128-F177 PolarHBondContact NH1-O 2.89Å; R128-F177 VanDerWaalsContact NH1-O 3.15Å; R128-E178 VanDerWaalsContact CZ-O 3.25Å; R128-E178 PolarHBondContact NH1-O 2.75Å; R128-E178 PolarHBondContact NH2-O 2.92Å; R128-P180 HydrophobicContact CB-CG 4.23Å
129	A	96.9	Very high	96.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	156.7	-177.9	0	0	0	0	0	112.3	D124 V141 Y142 P180 F182 L213	D124-A129 HydrophobicContact CB-CB 4.36Å; D124-A129 WeakPolarHBondContact CB-O 3.25Å; D124-A129 PolarHBondContact N-O 2.98Å; A129-V141 HydrophobicContact CB-CG1 4.32Å; A129-Y142 CarbonylContact C-O 3.44Å; A129-Y142 WeakPolarHBondContact CA-O 3.49Å; A129-P180 HydrophobicContact CB-CB 4.05Å; A129-P180 HydrophobicContact CB-CG 4.25Å; A129-F182 HydrophobicContact CB-CE2 4.43Å; A129-F182 HydrophobicContact CB-CZ 4Å; A129-L213 HydrophobicContact CB-CD2 3.6Å
130	V	97.6	Very high	96.9	Very high	1 Å²	1	20 Å²	20	1%	0.006	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.1	176.9	179.3	0	0	0	0	109	V79 I87 L121 A122 V123 V141 Y142 L144	V79-V130 HydrophobicContact CG1-CG1 4.37Å; V79-V130 HydrophobicContact CG2-CG2 4.34Å; I87-V130 HydrophobicContact CD1-CG1 4.46Å; L121-V130 HydrophobicContact CD1-CG1 3.52Å; L121-V130 HydrophobicContact CG-CG1 4.45Å; A122-V130 CarbonylContact O-C 3.58Å; A122-V130 WeakPolarHBondContact O-CA 3.17Å; A122-V130 WeakPolarHBondContact O-CG1 3.42Å; V123-V130 HydrophobicContact CG1-CG2 4.21Å; V123-V130 HydrophobicContact CG2-CG1 4.35Å; V123-V130 HydrophobicContact CG2-CG2 4.08Å; V130-V141 CarbonylContact O-C 3.55Å; V130-V141 VanDerWaalsContact O-CA 3.32Å; V130-V141 WeakPolarHBondContact O-CA 3.47Å; V130-Y142 PolarHBondContact N-O 2.66Å; V130-Y142 PolarHBondContact O-N 3.18Å; V130-L144 HydrophobicContact CG2-CD1 3.47Å; V130-L144 VanDerWaalsContact CG2-CD1 3.47Å; V130-L144 HydrophobicContact CG2-CD2 4.16Å; V130-L144 HydrophobicContact CG2-CG 3.97Å
131	M	98.2	Very high	97	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.5	168.8	179.6	178.3	-78.8	0	0	109.8	L121 A122 K139 L140 V141 A160 V170 F182 Y211	L121-M131 WeakPolarHBondContact CA-O 3.31Å; A122-M131 HydrophobicContact CB-CB 4.45Å; A122-M131 PolarHBondContact N-O 2.89Å; A122-M131 PolarHBondContact O-N 3.32Å; M131-K139 HydrophobicContact SD-CD 4.32Å; M131-L140 CarbonylContact C-O 3.55Å; M131-L140 WeakPolarHBondContact CA-O 3.49Å; M131-V141 HydrophobicContact CB-CG2 4.18Å; M131-V141 HydrophobicContact CE-CG2 3.52Å; M131-V141 HydrophobicContact CG-CG2 4.18Å; M131-A160 HydrophobicContact CE-CB 4.47Å; M131-V170 HydrophobicContact CG-CG1 4.4Å; M131-V170 HydrophobicContact SD-CG1 3.71Å; M131-F182 HydrophobicContact CB-CD1 3.49Å; M131-F182 VanDerWaalsContact CB-CD1 3.49Å; M131-F182 HydrophobicContact CB-CD2 4.15Å; M131-F182 HydrophobicContact CB-CE1 3.53Å; M131-F182 HydrophobicContact CB-CE2 4.18Å; M131-F182 HydrophobicContact CB-CG 3.82Å; M131-F182 HydrophobicContact CB-CZ 3.88Å; M131-F182 HydrophobicContact CE-CB 3.63Å; M131-F182 HydrophobicContact CE-CD2 3.67Å; M131-F182 HydrophobicContact CE-CE2 4.49Å; M131-F182 HydrophobicContact CE-CG 3.71Å; M131-F182 HydrophobicContact SD-CB 3.78Å; M131-F182 HydrophobicContact SD-CD1 4.42Å; M131-F182 HydrophobicContact SD-CG 4Å; M131-Y211 HydrophobicContact CE-CD2 4.34Å; M131-Y211 HydrophobicContact CE-CG 4.21Å
132	I	97.9	Very high	96.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.6	171.1	-171	167.2	0	0	0	109	F107 P117 F120 L121 K139 L140 Y142	F107-I132 HydrophobicContact CE1-CD1 3.62Å; F107-I132 HydrophobicContact CZ-CD1 3.78Å; P117-I132 HydrophobicContact CB-CG1 3.97Å; P117-I132 HydrophobicContact CB-CG2 4.15Å; F120-I132 WeakPolarHBondContact O-CA 3.38Å; L121-I132 HydrophobicContact CD1-CB 4.05Å; L121-I132 HydrophobicContact CD1-CD1 4.43Å; L121-I132 HydrophobicContact CD1-CG1 4.25Å; I132-K139 WeakPolarHBondContact O-CA 3.33Å; I132-L140 HydrophobicContact CG2-CB 3.9Å; I132-L140 PolarHBondContact N-O 2.98Å; I132-L140 PolarHBondContact O-N 3.19Å; I132-Y142 HydrophobicContact CG2-CD2 4.24Å; I132-Y142 HydrophobicContact CG2-CE2 3.8Å
133	S	97.8	Very high	96.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.4	-174.9	-174.7	0	0	0	0	111.9	G118 Q119 F120	G118-S133 PolarHBondContact N-O 2.95Å; Q119-S133 PolarHBondContact N-O 2.95Å; F120-S133 PolarHBondContact N-O 2.74Å; F120-S133 PolarHBondContact O-N 3.14Å
134	A	97.7	Very high	96.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.			trans	-79.7	171.6	165.3	0	0	0	0	0	109.5	R114 V116 P117 E136 Q138	R114-A134 WeakPolarHBondContact O-CB 3.48Å; V116-A134 VanDerWaalsContact C-CB 3.5Å; P117-A134 HydrophobicContact CG-CB 4.44Å; A134-E136 WeakPolarHBondContact CB-O 3.22Å; A134-Q138 HydrophobicContact CB-CB 4.18Å; A134-Q138 WeakPolarHBondContact CB-O 3.48Å; A134-Q138 PolarHBondContact N-O 3.35Å
135	I	97.2	Very high	96.3	Very high	56 Å²	56	23.3 Å²	23.3	29%	0.287	12%	0.117	S	C	.	.	S	Bend	trans	-68.6	-28.3	168.1	-65	169.5	0	0	0	109.6	R114 Q119 F120 L166 V167	R114-I135 PolarHBondContact O-N 2.71Å; R114-I135 VanDerWaalsContact O-N 3.13Å; Q119-I135 HydrophobicContact CB-CD1 4.48Å; Q119-I135 HydrophobicContact CB-CG1 3.82Å; Q119-I135 HydrophobicContact CG-CD1 4.08Å; Q119-I135 HydrophobicContact CG-CG1 3.65Å; F120-I135 HydrophobicContact CE2-CG1 4.3Å; I135-L166 HydrophobicContact CG2-CD2 4.37Å; I135-L166 CarbonylContact O-C 3.55Å; I135-L166 WeakPolarHBondContact O-CA 3.47Å; I135-V167 PolarHBondContact O-N 3.49Å
136	E	97.5	Very high	95.9	Very high	22 Å²	22	24.8 Å²	24.8	10%	0.103	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-135.8	131.3	-172.6	-178.7	174.3	-157.3	0	0	111.1	R114 I115 A134 Q138 T165 L166 Y189	R114-E136 HydrophobicContact CB-CB 4.33Å; R114-E136 WeakPolarHBondContact CB-OE2 3.34Å; R114-E136 IonicContact CZ-OE2 3.73Å; R114-E136 VanDerWaalsContact CZ-OE2 3.23Å; R114-E136 IonicContact NE-OE2 2.81Å; R114-E136 PolarHBondContact NE-OE2 2.78Å; R114-E136 IonicContact NH2-OE1 3.14Å; R114-E136 PolarHBondContact NH2-OE1 2.8Å; R114-E136 IonicContact NH2-OE2 2.69Å; R114-E136 PolarHBondContact NH2-OE2 2.85Å; R114-E136 PolarHBondContact O-N 2.87Å; I115-E136 HydrophobicContact CG2-CB 4.28Å; I115-E136 HydrophobicContact CG2-CG 4.17Å; A134-E136 WeakPolarHBondContact CB-O 3.22Å; E136-Q138 VanDerWaalsContact C-N 3.25Å; E136-Q138 PolarHBondContact O-N 3.5Å; E136-T165 WeakPolarHBondContact CA-O 3.48Å; E136-L166 HydrophobicContact CB-CD2 4.24Å; E136-L166 HydrophobicContact CG-CD2 4.4Å; E136-Y189 HydrophobicContact CG-CE1 4.49Å; E136-Y189 PolarHBondContact OE1-OH 3.24Å
137	K	96.4	Very high	95.6	Very high	93 Å²	93	25.4 Å²	25.4	40%	0.404	12%	0.12	S	C	.	.	S	Bend	trans	63.5	-59.9	171.8	176.3	-179.2	-179.2	176	0	117.5	H161 K162 T165	K137-H161 WeakPolarHBondContact O-CA 3.26Å; K137-K162 WeakPolarHBondContact CA-O 3.14Å; K137-K162 WeakPolarHBondContact CB-O 3.46Å; K137-K162 WeakPolarHBondContact CG-O 3.2Å; K137-K162 PolarHBondContact O-N 2.75Å; K137-T165 PolarHBondContact N-O 2.76Å
138	Q	97	Very high	95.1	Very high	49 Å²	49	31 Å²	31	23%	0.229	17%	0.166	C	C	.	.			trans	-84.4	127.6	-164.6	-66	-168.9	-9.8	0	0	112.9	I115 P117 A134 E136	I115-Q138 WeakPolarHBondContact O-CB 3.46Å; I115-Q138 WeakPolarHBondContact O-CG 3.39Å; I115-Q138 PolarHBondContact O-OE1 3.24Å; P117-Q138 HydrophobicContact CG-CB 3.92Å; A134-Q138 HydrophobicContact CB-CB 4.18Å; A134-Q138 WeakPolarHBondContact CB-O 3.48Å; A134-Q138 PolarHBondContact N-O 3.35Å; E136-Q138 VanDerWaalsContact C-N 3.25Å; E136-Q138 PolarHBondContact O-N 3.5Å
139	K	97.7	Very high	94.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.9	170.3	-45.9	-171.4	-176.8	75.5	0	110.2	M131 I132 A160 H161 E186 Y211	M131-K139 HydrophobicContact SD-CD 4.32Å; I132-K139 WeakPolarHBondContact O-CA 3.33Å; K139-A160 HydrophobicContact CB-CB 4.04Å; K139-A160 PolarHBondContact O-N 2.94Å; K139-H161 PolarHBondContact N-CE1 3.4Å; K139-H161 PolarHBondContact N-ND1 2.84Å; K139-H161 PolarHBondContact O-CE1 3.44Å; K139-H161 PolarHBondContact O-ND1 3.34Å; K139-E186 WeakPolarHBondContact CE-OE1 3.31Å; K139-E186 IonicContact NZ-OE1 2.71Å; K139-E186 PolarHBondContact NZ-OE1 3.47Å; K139-E186 IonicContact NZ-OE2 3.73Å; K139-Y211 HydrophobicContact CD-CE2 4.15Å; K139-Y211 PolarHBondContact NZ-OH 3.41Å; K139-Y211 VanDerWaalsContact NZ-OH 3.09Å
140	L	97.5	Very high	93.8	Very high	10 Å²	10	35.7 Å²	35.7	5%	0.052	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.3	177.5	-60.5	171.6	0	0	0	109.6	F107 P117 M131 I132 Y142 P157 L158 E159	F107-L140 HydrophobicContact CB-CD1 3.45Å; F107-L140 VanDerWaalsContact CB-CD1 3.45Å; F107-L140 HydrophobicContact CD2-CD1 4.36Å; F107-L140 HydrophobicContact CG-CD1 3.92Å; P117-L140 HydrophobicContact CG-CD1 4.13Å; P117-L140 HydrophobicContact CG-CG 4.36Å; M131-L140 CarbonylContact C-O 3.55Å; M131-L140 WeakPolarHBondContact CA-O 3.49Å; I132-L140 HydrophobicContact CG2-CB 3.9Å; I132-L140 PolarHBondContact N-O 2.98Å; I132-L140 PolarHBondContact O-N 3.19Å; L140-Y142 HydrophobicContact CB-CE2 4.01Å; L140-P157 HydrophobicContact CB-CB 4.2Å; L140-P157 HydrophobicContact CD1-CB 4.47Å; L140-P157 HydrophobicContact CD2-CB 4.14Å; L140-L158 CarbonylContact C-O 3.56Å; L140-L158 WeakPolarHBondContact CA-O 3.48Å; L140-E159 HydrophobicContact CD2-CG 3.9Å
141	V	98	Very high	93.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.5	175.1	-177.8	0	0	0	0	109.2	A129 V130 M131 P157 L158 F182 L213 V220	A129-V141 HydrophobicContact CB-CG1 4.32Å; V130-V141 CarbonylContact O-C 3.55Å; V130-V141 VanDerWaalsContact O-CA 3.32Å; V130-V141 WeakPolarHBondContact O-CA 3.47Å; M131-V141 HydrophobicContact CB-CG2 4.18Å; M131-V141 HydrophobicContact CE-CG2 3.52Å; M131-V141 HydrophobicContact CG-CG2 4.18Å; V141-P157 WeakPolarHBondContact O-CA 3.33Å; V141-L158 HydrophobicContact CB-CB 4.49Å; V141-L158 PolarHBondContact N-O 3.42Å; V141-L158 PolarHBondContact O-N 3.28Å; V141-F182 HydrophobicContact CG1-CE2 3.83Å; V141-F182 HydrophobicContact CG1-CZ 4.27Å; V141-F182 HydrophobicContact CG2-CD2 4.48Å; V141-F182 HydrophobicContact CG2-CE2 4.25Å; V141-L213 HydrophobicContact CG1-CD2 3.99Å; V141-V220 HydrophobicContact CB-CG2 3.74Å; V141-V220 HydrophobicContact CG1-CG2 4.22Å; V141-V220 HydrophobicContact CG2-CG1 4.28Å; V141-V220 HydrophobicContact CG2-CG2 3.74Å
142	Y	96.4	Very high	92.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.2	178.5	-71	-86.5	0	0	0	109.9	I87 E105 A129 V130 I132 L140 I154 P157	I87-Y142 HydrophobicContact CD1-CD2 3.77Å; I87-Y142 HydrophobicContact CD1-CE2 3.92Å; I87-Y142 HydrophobicContact CD1-CG 4.4Å; I87-Y142 HydrophobicContact CG2-CE1 4.24Å; I87-Y142 HydrophobicContact CG2-CE2 4.08Å; E105-Y142 WeakPolarHBondContact OE1-CE1 3.49Å; E105-Y142 PolarHBondContact OE1-OH 3.29Å; A129-Y142 CarbonylContact C-O 3.44Å; A129-Y142 WeakPolarHBondContact CA-O 3.49Å; V130-Y142 PolarHBondContact N-O 2.66Å; V130-Y142 PolarHBondContact O-N 3.18Å; I132-Y142 HydrophobicContact CG2-CD2 4.24Å; I132-Y142 HydrophobicContact CG2-CE2 3.8Å; L140-Y142 HydrophobicContact CB-CE2 4.01Å; Y142-I154 HydrophobicContact CD1-CD1 3.37Å; Y142-I154 HydrophobicContact CD1-CG1 3.69Å; Y142-I154 HydrophobicContact CE1-CD1 4.1Å; Y142-I154 HydrophobicContact CG-CD1 3.64Å; Y142-I154 HydrophobicContact CG-CG1 4.1Å; Y142-P157 HydrophobicContact CD1-CB 4.15Å; Y142-P157 HydrophobicContact CE1-CB 3.6Å; Y142-P157 HydrophobicContact CE1-CG 4.01Å; Y142-P157 HydrophobicContact CE2-CB 4.16Å
143	I	95.8	Very high	92.4	Very high	24 Å²	24	46.7 Å²	46.7	12%	0.123	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.3	172.5	-50.8	-173.4	0	0	0	108.5	I154 S155 L158 L213 L215 N218	I143-I154 WeakPolarHBondContact O-CA 3.37Å; I143-S155 WeakPolarHBondContact CB-OG 3.37Å; I143-S155 PolarHBondContact N-OG 3.13Å; I143-S155 PolarHBondContact O-N 2.92Å; I143-L158 HydrophobicContact CD1-CD1 4.34Å; I143-L213 HydrophobicContact CD1-CD1 4.26Å; I143-L213 HydrophobicContact CD1-CD2 4.19Å; I143-L213 HydrophobicContact CG1-CD1 4.49Å; I143-L213 HydrophobicContact CG1-CD2 3.86Å; I143-L215 HydrophobicContact CD1-CD2 4.09Å; I143-L215 HydrophobicContact CG2-CD2 4.43Å; I143-N218 WeakPolarHBondContact CD1-OD1 3.5Å
144	L	94.3	Very high	92.1	Very high	10 Å²	10	48 Å²	48	5%	0.052	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	125.6	177.5	-57.5	172.5	0	0	0	109.3	F68 L70 I89 R128 V130 L152 I154	F68-L144 HydrophobicContact CD2-CD1 3.44Å; F68-L144 VanDerWaalsContact CD2-CD1 3.44Å; F68-L144 HydrophobicContact CE2-CD1 3.35Å; F68-L144 HydrophobicContact CE2-CD2 4.31Å; F68-L144 HydrophobicContact CE2-CG 4.29Å; F68-L144 HydrophobicContact CG-CD1 4.09Å; F68-L144 HydrophobicContact CZ-CD1 3.91Å; F68-L144 HydrophobicContact CZ-CD2 4.21Å; L70-L144 HydrophobicContact CD2-CB 3.88Å; I89-L144 HydrophobicContact CD1-CD2 3.91Å; R128-L144 PolarHBondContact O-N 3.33Å; V130-L144 HydrophobicContact CG2-CD1 3.47Å; V130-L144 VanDerWaalsContact CG2-CD1 3.47Å; V130-L144 HydrophobicContact CG2-CD2 4.16Å; V130-L144 HydrophobicContact CG2-CG 3.97Å; L144-L152 HydrophobicContact CB-CD1 4.32Å; L144-L152 HydrophobicContact CD2-CD1 4.29Å; L144-I154 HydrophobicContact CD2-CG1 4.26Å
145	N	90.2	Very high	91.7	Very high	103 Å²	103	49.7 Å²	49.7	55%	0.551	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.7	176	-177.2	-153.7	-11.4	0	0	0	111.7	L152 T153	N145-L152 CarbonylContact O-C 3.59Å; N145-L152 WeakPolarHBondContact O-CA 3.5Å; N145-T153 PolarHBondContact N-O 3.09Å; N145-T153 PolarHBondContact O-N 2.91Å; N145-T153 PolarHBondContact O-OG1 3.1Å
146	R	87.4	Confident	91.4	Very high	89 Å²	89	51.6 Å²	51.6	34%	0.336	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	141.6	171.4	-67.1	-176.6	-173.9	164	6.1	111	L70 T71 R151	L70-R146 HydrophobicContact CD1-CG 3.7Å; L70-R146 PolarHBondContact O-NH2 3.06Å; T71-R146 PolarHBondContact O-NH2 2.81Å; R146-R151 CarbonylContact C-O 3.53Å; R146-R151 VanDerWaalsContact CA-O 3.26Å; R146-R151 WeakPolarHBondContact CA-O 3.35Å
147	D	86.5	Confident	91.3	Very high	46 Å²	46	52.5 Å²	52.5	25%	0.246	30%	0.304	C	S	.	.			trans	-77.8	178.7	166.5	76.1	2.3	0	0	0	111.7	A149 A150 R151 T153	D147-A149 PolarHBondContact O-N 2.92Å; D147-A149 VanDerWaalsContact O-N 3.15Å; D147-A149 VanDerWaalsContact OD1-C 3.28Å; D147-A149 VanDerWaalsContact OD1-CA 3.32Å; D147-A149 WeakPolarHBondContact OD1-CA 3.36Å; D147-A149 WeakPolarHBondContact OD1-CB 3.34Å; D147-A149 PolarHBondContact OD1-N 2.94Å; D147-A150 WeakPolarHBondContact O-CA 3.24Å; D147-A150 PolarHBondContact O-N 3.37Å; D147-A150 PolarHBondContact OD1-N 2.71Å; D147-A150 VanDerWaalsContact OD1-N 3.15Å; D147-R151 PolarHBondContact N-O 3.19Å; D147-R151 WeakPolarHBondContact OD1-CB 3.42Å; D147-R151 PolarHBondContact OD1-N 3Å; D147-R151 IonicContact OD1-NE 3.91Å; D147-R151 IonicContact OD2-CZ 3.05Å; D147-R151 IonicContact OD2-NE 2.79Å; D147-R151 PolarHBondContact OD2-NE 2.97Å; D147-R151 IonicContact OD2-NH2 2.93Å; D147-R151 PolarHBondContact OD2-NH2 3.01Å; D147-T153 HydrophobicContact CB-CG2 3.96Å
148	A	83.9	Confident	91.3	Very high	119 Å²	119	49.3 Å²	49.3	98%	0.983	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.4	178.9	0	0	0	0	0	113.9	A150	A148-A150 VanDerWaalsContact C-N 3.31Å
149	A	84.2	Confident	91.2	Very high	67 Å²	67	53.4 Å²	53.4	55%	0.554	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	13.6	175	0	0	0	0	0	112.3	D147 R151	D147-A149 PolarHBondContact O-N 2.92Å; D147-A149 VanDerWaalsContact O-N 3.15Å; D147-A149 VanDerWaalsContact OD1-C 3.28Å; D147-A149 VanDerWaalsContact OD1-CA 3.32Å; D147-A149 WeakPolarHBondContact OD1-CA 3.36Å; D147-A149 WeakPolarHBondContact OD1-CB 3.34Å; D147-A149 PolarHBondContact OD1-N 2.94Å; A149-R151 HydrophobicContact CB-CG 4.29Å; A149-R151 PolarHBondContact O-N 2.84Å
150	A	81.9	Confident	91.1	Very high	60 Å²	60	53.7 Å²	53.7	50%	0.496	31%	0.313	S	S	.	.	S	Bend	trans	61.9	16.6	-177	0	0	0	0	0	115	D147 A148	D147-A150 WeakPolarHBondContact O-CA 3.24Å; D147-A150 PolarHBondContact O-N 3.37Å; D147-A150 PolarHBondContact OD1-N 2.71Å; D147-A150 VanDerWaalsContact OD1-N 3.15Å; A148-A150 VanDerWaalsContact C-N 3.31Å
151	R	85.3	Confident	91	Very high	164 Å²	164	56.1 Å²	56.1	62%	0.619	32%	0.324	S	S	*	.			trans	-80.2	142.1	176.3	-59.4	179.8	-63	-178	1.7	110	R146 D147 A149 T153	R146-R151 CarbonylContact C-O 3.53Å; R146-R151 VanDerWaalsContact CA-O 3.26Å; R146-R151 WeakPolarHBondContact CA-O 3.35Å; D147-R151 PolarHBondContact N-O 3.19Å; D147-R151 WeakPolarHBondContact OD1-CB 3.42Å; D147-R151 PolarHBondContact OD1-N 3Å; D147-R151 IonicContact OD1-NE 3.91Å; D147-R151 IonicContact OD2-CZ 3.05Å; D147-R151 IonicContact OD2-NE 2.79Å; D147-R151 PolarHBondContact OD2-NE 2.97Å; D147-R151 IonicContact OD2-NH2 2.93Å; D147-R151 PolarHBondContact OD2-NH2 3.01Å; A149-R151 HydrophobicContact CB-CG 4.29Å; A149-R151 PolarHBondContact O-N 2.84Å; R151-T153 PolarHBondContact O-N 3.4Å
152	L	89.7	Confident	90.9	Very high	15 Å²	15	57.9 Å²	57.9	8%	0.079	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	133.2	175.1	174.1	69.9	0	0	0	110.6	F68 L70 Y77 I89 I102 L144 N145	F68-L152 HydrophobicContact CE2-CD1 4.2Å; F68-L152 HydrophobicContact CZ-CD1 4.23Å; F68-L152 HydrophobicContact CZ-CD2 3.84Å; L70-L152 HydrophobicContact CD1-CB 4.1Å; L70-L152 HydrophobicContact CD1-CD1 3.66Å; L70-L152 HydrophobicContact CD1-CG 4.45Å; L70-L152 HydrophobicContact CD2-CD1 3.66Å; L70-L152 HydrophobicContact CG-CD1 3.97Å; Y77-L152 HydrophobicContact CD1-CD2 4.15Å; Y77-L152 HydrophobicContact CE1-CB 4.41Å; Y77-L152 HydrophobicContact CE1-CD2 4.31Å; Y77-L152 HydrophobicContact CG-CD2 4.45Å; I89-L152 HydrophobicContact CB-CD2 4.26Å; I89-L152 HydrophobicContact CD1-CD2 3.85Å; I89-L152 HydrophobicContact CG2-CD2 3.54Å; I102-L152 HydrophobicContact CG2-CB 4.18Å; I102-L152 HydrophobicContact CG2-CD2 4.28Å; L144-L152 HydrophobicContact CB-CD1 4.32Å; L144-L152 HydrophobicContact CD2-CD1 4.29Å; N145-L152 CarbonylContact O-C 3.59Å; N145-L152 WeakPolarHBondContact O-CA 3.5Å
153	T	89.1	Confident	90.8	Very high	54 Å²	54	60.3 Å²	60.3	33%	0.331	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150.9	171	54.4	0	0	0	0	109.1	N145 D147 R151	N145-T153 PolarHBondContact N-O 3.09Å; N145-T153 PolarHBondContact O-N 2.91Å; N145-T153 PolarHBondContact O-OG1 3.1Å; D147-T153 HydrophobicContact CB-CG2 3.96Å; R151-T153 PolarHBondContact O-N 3.4Å
154	I	90.8	Very high	90.7	Very high	27 Å²	27	61.3 Å²	61.3	14%	0.138	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.9	177.5	-161.6	175.9	0	0	0	108.7	I89 H103 Y142 I143 L144	I89-I154 HydrophobicContact CD1-CD1 4.16Å; H103-I154 VanDerWaalsContact CD2-CG2 3.43Å; H103-I154 WeakPolarHBondContact CD2-CG2 3.14Å; H103-I154 WeakPolarHBondContact CE1-CG2 3.41Å; H103-I154 WeakPolarHBondContact NE2-CG2 3.4Å; Y142-I154 HydrophobicContact CD1-CD1 3.37Å; Y142-I154 HydrophobicContact CD1-CG1 3.69Å; Y142-I154 HydrophobicContact CE1-CD1 4.1Å; Y142-I154 HydrophobicContact CG-CD1 3.64Å; Y142-I154 HydrophobicContact CG-CG1 4.1Å; I143-I154 WeakPolarHBondContact O-CA 3.37Å; L144-I154 HydrophobicContact CD2-CG1 4.26Å
155	S	89.6	Confident	90.9	Very high	35 Å²	35	60.8 Å²	60.8	25%	0.245	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-74.3	167.9	173.2	70.4	0	0	0	0	111.5	I143	I143-S155 WeakPolarHBondContact CB-OG 3.37Å; I143-S155 PolarHBondContact N-OG 3.13Å; I143-S155 PolarHBondContact O-N 2.92Å
156	S	91.3	Very high	91.2	Very high	96 Å²	96	57.6 Å²	57.6	67%	0.671	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-56.5	148.7	160.3	-58.9	0	0	0	0	110.7
157	P	94.6	Very high	91.6	Very high	42 Å²	42	53.6 Å²	53.6	27%	0.273	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-70.2	143.4	-178.4	25.3	-31.2	0	0	0	111.5	E105 L140 V141 Y142	E105-P157 VanDerWaalsContact OE1-CD 3.24Å; E105-P157 WeakPolarHBondContact OE1-CD 3.2Å; L140-P157 HydrophobicContact CB-CB 4.2Å; L140-P157 HydrophobicContact CD1-CB 4.47Å; L140-P157 HydrophobicContact CD2-CB 4.14Å; V141-P157 WeakPolarHBondContact O-CA 3.33Å; Y142-P157 HydrophobicContact CD1-CB 4.15Å; Y142-P157 HydrophobicContact CE1-CB 3.6Å; Y142-P157 HydrophobicContact CE1-CG 4.01Å; Y142-P157 HydrophobicContact CE2-CB 4.16Å
158	L	96.5	Very high	92.1	Very high	26 Å²	26	55 Å²	55	14%	0.136	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.4	170.3	-59.2	173.5	0	0	0	109.2	L140 V141 I143 L213 N218 V220	L140-L158 CarbonylContact C-O 3.56Å; L140-L158 WeakPolarHBondContact CA-O 3.48Å; V141-L158 HydrophobicContact CB-CB 4.49Å; V141-L158 PolarHBondContact N-O 3.42Å; V141-L158 PolarHBondContact O-N 3.28Å; I143-L158 HydrophobicContact CD1-CD1 4.34Å; L158-L213 HydrophobicContact CD1-CD1 3.34Å; L158-N218 WeakPolarHBondContact CD2-O 3.47Å; L158-V220 HydrophobicContact CB-CG2 3.72Å; L158-V220 HydrophobicContact CD1-CG2 4.14Å
159	E	95.3	Very high	92.8	Very high	134 Å²	134	51.2 Å²	51.2	63%	0.626	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	131	-175.5	-63.8	-178.5	-174.1	0	0	111.6	L140 H161	L140-E159 HydrophobicContact CD2-CG 3.9Å; E159-H161 IonicContact OE2-CD2 3.48Å
160	A	95.3	Very high	93.5	Very high	7 Å²	7	48.4 Å²	48.4	6%	0.058	26%	0.263	C	S	.	.			trans	-122.7	41.7	170.3	0	0	0	0	0	110.7	M131 K139 Y211 V220	M131-A160 HydrophobicContact CE-CB 4.47Å; K139-A160 HydrophobicContact CB-CB 4.04Å; K139-A160 PolarHBondContact O-N 2.94Å; A160-Y211 HydrophobicContact CB-CD1 3.84Å; A160-Y211 HydrophobicContact CB-CE1 4.06Å; A160-Y211 HydrophobicContact CB-CG 4.49Å; A160-V220 HydrophobicContact CB-CB 4.29Å; A160-V220 HydrophobicContact CB-CG1 3.76Å
161	H	95.6	Very high	94.2	Very high	61 Å²	61	46.4 Å²	46.4	28%	0.282	24%	0.244	S	C	.	.			trans	-71.9	140.9	-174.7	-63	-3.6	0	0	0	112	K137 K139 E159	K137-H161 WeakPolarHBondContact O-CA 3.26Å; K139-H161 PolarHBondContact N-CE1 3.4Å; K139-H161 PolarHBondContact N-ND1 2.84Å; K139-H161 PolarHBondContact O-CE1 3.44Å; K139-H161 PolarHBondContact O-ND1 3.34Å; E159-H161 IonicContact OE2-CD2 3.48Å
162	K	94.6	Very high	94.8	Very high	36 Å²	36	38.9 Å²	38.9	16%	0.157	22%	0.218	C	C	.	.			trans	-132	120.8	171.6	-170.4	-175.4	166.7	-144.4	0	109.4	K137 T165 D188	K137-K162 WeakPolarHBondContact CA-O 3.14Å; K137-K162 WeakPolarHBondContact CB-O 3.46Å; K137-K162 WeakPolarHBondContact CG-O 3.2Å; K137-K162 PolarHBondContact O-N 2.75Å; K162-T165 HydrophobicContact CD-CG2 4.22Å; K162-T165 WeakPolarHBondContact CD-OG1 3.39Å; K162-T165 VanDerWaalsContact CE-OG1 3.27Å; K162-T165 WeakPolarHBondContact CE-OG1 3.38Å; K162-T165 WeakPolarHBondContact CG-OG1 3.46Å; K162-T165 PolarHBondContact NZ-OG1 2.95Å; K162-D188 WeakPolarHBondContact CE-OD2 3.44Å; K162-D188 IonicContact NZ-OD2 3.48Å; K162-D188 PolarHBondContact NZ-OD2 3.2Å
163	A	94.4	Very high	95.2	Very high	51 Å²	51	38.1 Å²	38.1	42%	0.421	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	157.9	178.8	0	0	0	0	0	111.2	T165	A163-T165 PolarHBondContact O-N 2.96Å; A163-T165 PolarHBondContact O-OG1 3.26Å
164	N	95.2	Very high	95.5	Very high	45 Å²	45	35.9 Å²	35.9	24%	0.241	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	32.8	172.3	-61.3	79.1	0	0	0	115	D188 Y189 E190	N164-D188 CarbonylContact O-C 3.32Å; N164-D188 WeakPolarHBondContact O-CA 3.18Å; N164-Y189 VanDerWaalsContact C-CD1 3.45Å; N164-Y189 HydrophobicContact CB-CD2 4.5Å; N164-Y189 HydrophobicContact CB-CE2 4.18Å; N164-Y189 WeakPolarHBondContact O-CD1 3.43Å; N164-Y189 WeakPolarHBondContact O-CE1 3.32Å; N164-Y189 PolarHBondContact O-N 3.34Å; N164-E190 HydrophobicContact CB-CB 3.69Å; N164-E190 HydrophobicContact CB-CG 4.33Å
165	T	96.5	Very high	95.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129	-175	-62.6	0	0	0	0	111.3	E136 K137 K162 A163 E186 M187	E136-T165 WeakPolarHBondContact CA-O 3.48Å; K137-T165 PolarHBondContact N-O 2.76Å; K162-T165 HydrophobicContact CD-CG2 4.22Å; K162-T165 WeakPolarHBondContact CD-OG1 3.39Å; K162-T165 VanDerWaalsContact CE-OG1 3.27Å; K162-T165 WeakPolarHBondContact CE-OG1 3.38Å; K162-T165 WeakPolarHBondContact CG-OG1 3.46Å; K162-T165 PolarHBondContact NZ-OG1 2.95Å; A163-T165 PolarHBondContact O-N 2.96Å; A163-T165 PolarHBondContact O-OG1 3.26Å; T165-E186 HydrophobicContact CG2-CB 3.73Å; T165-E186 HydrophobicContact CG2-CG 4.01Å; T165-M187 CarbonylContact C-O 3.57Å; T165-M187 WeakPolarHBondContact CA-O 3.27Å
166	L	96.7	Very high	95.9	Very high	36 Å²	36	33.7 Å²	33.7	19%	0.188	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	139.3	166.7	-64.7	175.5	0	0	0	110.1	I135 E136 Y168 E186 M187 Y189	I135-L166 HydrophobicContact CG2-CD2 4.37Å; I135-L166 CarbonylContact O-C 3.55Å; I135-L166 WeakPolarHBondContact O-CA 3.47Å; E136-L166 HydrophobicContact CB-CD2 4.24Å; E136-L166 HydrophobicContact CG-CD2 4.4Å; L166-Y168 HydrophobicContact CB-CE2 3.95Å; L166-E186 CarbonylContact O-C 3.57Å; L166-E186 VanDerWaalsContact O-CA 3.23Å; L166-E186 WeakPolarHBondContact O-CA 3.42Å; L166-M187 HydrophobicContact CD1-CE 4.19Å; L166-M187 PolarHBondContact N-O 3.39Å; L166-M187 PolarHBondContact O-N 2.86Å; L166-Y189 HydrophobicContact CD1-CD1 4.37Å; L166-Y189 HydrophobicContact CD2-CE1 4.22Å; L166-Y189 HydrophobicContact CG-CD1 3.83Å; L166-Y189 HydrophobicContact CG-CE1 4.01Å
167	V	97.7	Very high	96	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.03	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.9	177	-177.1	0	0	0	0	108.4	F120 I135 V170 L185 E186	F120-V167 HydrophobicContact CD2-CB 4.27Å; F120-V167 HydrophobicContact CD2-CG1 3.84Å; F120-V167 HydrophobicContact CE2-CB 4.05Å; F120-V167 HydrophobicContact CE2-CG1 3.95Å; F120-V167 WeakPolarHBondContact CE2-O 3.47Å; F120-V167 WeakPolarHBondContact CZ-O 3.32Å; I135-V167 PolarHBondContact O-N 3.49Å; V167-V170 HydrophobicContact CG1-CG2 3.6Å; V167-L185 WeakPolarHBondContact CA-O 3.35Å; V167-E186 HydrophobicContact CG2-CG 4.49Å
168	Y	96.8	Very high	96	Very high	75 Å²	75	40.7 Å²	40.7	29%	0.294	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-35	-177.1	-71.7	-101	0	0	0	112.7	F120 L166 L185 M187 H231	F120-Y168 WeakPolarHBondContact CE1-O 3.42Å; F120-Y168 VanDerWaalsContact CZ-O 3.3Å; F120-Y168 WeakPolarHBondContact CZ-O 3.5Å; L166-Y168 HydrophobicContact CB-CE2 3.95Å; Y168-L185 PolarHBondContact N-O 3.44Å; Y168-M187 HydrophobicContact CE2-CB 3.7Å; Y168-M187 WeakPolarHBondContact OH-CE 3.37Å; Y168-H231 AromaticContact CD1-CE1 3.8Å; Y168-H231 AromaticContact CD1-NE2 3.9Å; Y168-H231 AromaticContact CE1-CE1 3.75Å; Y168-H231 AromaticContact CE1-NE2 3.47Å; Y168-H231 WeakPolarHBondContact CE1-NE2 3.31Å; Y168-H231 AromaticContact CZ-NE2 3.8Å
169	H	97.7	Very high	95.9	Very high	39 Å²	39	41.6 Å²	41.6	18%	0.181	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	154.9	177	-160.6	-102.6	0	0	0	110.8	C184 L185 F234 L235	H169-C184 WeakPolarHBondContact O-CA 3.43Å; H169-L185 HydrophobicContact CB-CB 4.47Å; H169-L185 HydrophobicContact CB-CD1 3.99Å; H169-L185 HydrophobicContact CB-CG 4.38Å; H169-L185 PolarHBondContact O-N 3.13Å; H169-F234 AromaticContact CD2-CD2 4Å; H169-F234 AromaticContact CE1-CD2 3.82Å; H169-F234 AromaticContact CE1-CE2 3.95Å; H169-F234 AromaticContact NE2-CD2 3.49Å; H169-F234 WeakPolarHBondContact NE2-CD2 3.49Å; H169-F234 AromaticContact NE2-CE2 3.7Å; H169-L235 PolarHBondContact CE1-O 3.02Å; H169-L235 PolarHBondContact ND1-N 2.88Å
170	V	97.9	Very high	96	Very high	8 Å²	8	35.2 Å²	35.2	5%	0.048	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	134.9	177.9	-172.4	0	0	0	0	110	F120 A122 M131 V167 A183 C184	F120-V170 HydrophobicContact CB-CB 4.15Å; F120-V170 HydrophobicContact CB-CG2 3.78Å; F120-V170 HydrophobicContact CG-CG2 4.24Å; A122-V170 HydrophobicContact CB-CB 4.29Å; A122-V170 HydrophobicContact CB-CG1 3.62Å; M131-V170 HydrophobicContact CG-CG1 4.4Å; M131-V170 HydrophobicContact SD-CG1 3.71Å; V167-V170 HydrophobicContact CG1-CG2 3.6Å; V170-A183 VanDerWaalsContact CA-O 3.32Å; V170-A183 WeakPolarHBondContact CA-O 3.11Å; V170-C184 HydrophobicContact CG2-CB 4.5Å
171	V	97.8	Very high	96.1	Very high	18 Å²	18	35 Å²	35	11%	0.109	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151.7	172.1	-67.7	0	0	0	0	111.4	F182 A183 L235 V248	V171-F182 CarbonylContact O-C 3.46Å; V171-F182 VanDerWaalsContact O-CA 3.28Å; V171-F182 WeakPolarHBondContact O-CA 3.3Å; V171-A183 HydrophobicContact CG2-CB 3.98Å; V171-A183 PolarHBondContact N-O 3.1Å; V171-A183 PolarHBondContact O-N 3.16Å; V171-L235 HydrophobicContact CB-CB 4.47Å; V171-L235 HydrophobicContact CG1-CB 3.85Å; V171-L235 WeakPolarHBondContact CG1-O 3.42Å; V171-L235 HydrophobicContact CG2-CB 3.76Å; V171-L235 HydrophobicContact CG2-CD1 3.88Å; V171-L235 HydrophobicContact CG2-CG 4.49Å; V171-V248 HydrophobicContact CG2-CG1 4.03Å
172	G	97.7	Very high	96.2	Very high	6 Å²	6	32.1 Å²	32.1	6%	0.062	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.4	166	0	0	0	0	0	108.7	T237	G172-T237 VanDerWaalsContact O-CB 3.32Å; G172-T237 WeakPolarHBondContact O-CB 3.43Å; G172-T237 PolarHBondContact O-OG1 2.92Å; G172-T237 VanDerWaalsContact O-OG1 3.06Å
173	V	97.2	Very high	96.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.7	-178.7	-170	0	0	0	0	108.9	V175 M181 A183 F210 V248 F261	V173-V175 HydrophobicContact CG1-CG1 4.18Å; V173-V175 PolarHBondContact O-N 2.99Å; V173-M181 HydrophobicContact CB-CB 4.34Å; V173-M181 HydrophobicContact CB-CG 4.42Å; V173-M181 HydrophobicContact CG2-CG 4.37Å; V173-M181 PolarHBondContact N-O 2.81Å; V173-A183 HydrophobicContact CG2-CB 3.77Å; V173-F210 HydrophobicContact CG2-CD1 4.09Å; V173-F210 HydrophobicContact CG2-CE1 4.01Å; V173-V248 HydrophobicContact CG2-CG1 4.05Å; V173-F261 HydrophobicContact CG1-CE2 3.91Å; V173-F261 HydrophobicContact CG1-CZ 4.48Å
174	D	96.2	Very high	96.5	Very high	7 Å²	7	28 Å²	28	4%	0.037	14%	0.135	C	C	.	.			trans	-76.3	84.1	-179.8	-165.5	-0.8	0	0	0	111.4	P125 K126 G176 G240 S246	P125-D174 HydrophobicContact CB-CB 4.03Å; P125-D174 HydrophobicContact CG-CB 3.78Å; K126-D174 VanDerWaalsContact CE-OD1 3.25Å; K126-D174 WeakPolarHBondContact CE-OD1 3.25Å; K126-D174 IonicContact NZ-OD1 2.63Å; K126-D174 PolarHBondContact NZ-OD1 3.05Å; K126-D174 IonicContact NZ-OD2 3.52Å; K126-D174 PolarHBondContact NZ-OD2 3.08Å; D174-G176 PolarHBondContact O-N 3Å; D174-G176 PolarHBondContact OD1-N 3.47Å; D174-G240 VanDerWaalsContact CG-N 3.28Å; D174-G240 WeakPolarHBondContact O-CA 3.4Å; D174-G240 PolarHBondContact OD2-N 3.09Å; D174-G240 VanDerWaalsContact OD2-N 3.09Å; D174-S246 WeakPolarHBondContact O-CB 3.38Å; D174-S246 PolarHBondContact O-OG 2.79Å; D174-S246 VanDerWaalsContact O-OG 3.05Å
175	V	95	Very high	96.6	Very high	12 Å²	12	25.9 Å²	25.9	7%	0.073	12%	0.124	C	C	.	.			trans	-91.7	26.9	174.4	-63.8	0	0	0	0	112.7	V173 F177 E178 N179 M181 F261	V173-V175 HydrophobicContact CG1-CG1 4.18Å; V173-V175 PolarHBondContact O-N 2.99Å; V175-F177 PolarHBondContact O-N 2.92Å; V175-E178 HydrophobicContact CB-CB 4.21Å; V175-E178 HydrophobicContact CG2-CB 4.11Å; V175-E178 WeakPolarHBondContact O-CB 3.16Å; V175-E178 PolarHBondContact O-N 2.83Å; V175-E178 VanDerWaalsContact O-N 3.15Å; V175-N179 VanDerWaalsContact CG2-O 3.27Å; V175-N179 WeakPolarHBondContact CG2-O 3.36Å; V175-M181 HydrophobicContact CG1-CB 4.3Å; V175-M181 HydrophobicContact CG1-CE 3.89Å; V175-M181 HydrophobicContact CG2-CB 4.35Å; V175-F261 HydrophobicContact CG1-CE2 4.13Å
176	G	93.5	Very high	96.6	Very high	3 Å²	3	25.9 Å²	25.9	3%	0.031	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-123.8	-178.3	0	0	0	0	0	112.1	K126 R128 D174	K126-G176 WeakPolarHBondContact CG-O 3.34Å; R128-G176 PolarHBondContact NH2-O 3.17Å; R128-G176 VanDerWaalsContact NH2-O 3.16Å; D174-G176 PolarHBondContact O-N 3Å; D174-G176 PolarHBondContact OD1-N 3.47Å
177	F	93.4	Very high	96.6	Very high	154 Å²	154	26 Å²	26	68%	0.675	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	6.8	178.1	-72.6	-77.9	0	0	0	113.8	T71 R128 V175	T71-F177 HydrophobicContact CG2-CE1 3.99Å; T71-F177 HydrophobicContact CG2-CZ 4.49Å; R128-F177 VanDerWaalsContact NH1-C 3.31Å; R128-F177 PolarHBondContact NH1-O 2.89Å; R128-F177 VanDerWaalsContact NH1-O 3.15Å; V175-F177 PolarHBondContact O-N 2.92Å
178	E	94.1	Very high	96.4	Very high	132 Å²	132	28.1 Å²	28.1	62%	0.617	14%	0.135	S	C	*	.	S	Bend	trans	-66.4	171.6	168.4	-59.8	-169.7	172.7	0	0	111.2	R128 V175	R128-E178 VanDerWaalsContact CZ-O 3.25Å; R128-E178 PolarHBondContact NH1-O 2.75Å; R128-E178 PolarHBondContact NH2-O 2.92Å; V175-E178 HydrophobicContact CB-CB 4.21Å; V175-E178 HydrophobicContact CG2-CB 4.11Å; V175-E178 WeakPolarHBondContact O-CB 3.16Å; V175-E178 PolarHBondContact O-N 2.83Å; V175-E178 VanDerWaalsContact O-N 3.15Å
179	N	95.9	Very high	96.3	Very high	45 Å²	45	26.1 Å²	26.1	24%	0.241	13%	0.128	C	C	.	.	S	Bend	trans	-50.3	126.5	178.6	-83.1	-19.8	0	0	0	111.3	V175 M181 E212 L213 L215	V175-N179 VanDerWaalsContact CG2-O 3.27Å; V175-N179 WeakPolarHBondContact CG2-O 3.36Å; N179-M181 PolarHBondContact O-N 2.9Å; N179-E212 HydrophobicContact CB-CG 3.81Å; N179-E212 WeakPolarHBondContact CB-OE1 3.2Å; N179-E212 PolarHBondContact ND2-OE1 3.14Å; N179-L213 VanDerWaalsContact CB-O 3.29Å; N179-L213 WeakPolarHBondContact CB-O 3.29Å; N179-L215 PolarHBondContact OD1-N 3.43Å
180	P	96.9	Very high	96.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-53.2	138.8	-178.2	-25.9	33.3	0	0	0	112.2	D124 R128 A129 L213 L215	D124-P180 HydrophobicContact CB-CB 4.12Å; R128-P180 HydrophobicContact CB-CG 4.23Å; A129-P180 HydrophobicContact CB-CB 4.05Å; A129-P180 HydrophobicContact CB-CG 4.25Å; P180-L213 HydrophobicContact CB-CB 4.29Å; P180-L213 HydrophobicContact CB-CD2 4.34Å; P180-L213 HydrophobicContact CG-CD2 4.19Å; P180-L213 PolarHBondContact O-N 2.62Å; P180-L215 HydrophobicContact CG-CD1 4.26Å; P180-L215 HydrophobicContact CG-CD2 4.48Å; P180-L215 HydrophobicContact CG-CG 4.44Å
181	M	96.9	Very high	96	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.9	-174.8	-175.8	133.8	42.2	0	0	111.3	V173 V175 N179 F210 Y211 E212 K223 F261	V173-M181 HydrophobicContact CB-CB 4.34Å; V173-M181 HydrophobicContact CB-CG 4.42Å; V173-M181 HydrophobicContact CG2-CG 4.37Å; V173-M181 PolarHBondContact N-O 2.81Å; V175-M181 HydrophobicContact CG1-CB 4.3Å; V175-M181 HydrophobicContact CG1-CE 3.89Å; V175-M181 HydrophobicContact CG2-CB 4.35Å; N179-M181 PolarHBondContact O-N 2.9Å; M181-F210 HydrophobicContact CG-CB 4.48Å; M181-F210 HydrophobicContact CG-CD1 4.37Å; M181-F210 HydrophobicContact SD-CB 4.14Å; M181-Y211 CarbonylContact C-O 3.58Å; M181-Y211 VanDerWaalsContact CA-O 3.3Å; M181-Y211 WeakPolarHBondContact CA-O 3.22Å; M181-Y211 WeakPolarHBondContact CG-O 3.34Å; M181-E212 HydrophobicContact SD-CB 4.15Å; M181-K223 HydrophobicContact CE-CD 3.98Å; M181-K223 HydrophobicContact SD-CD 3.7Å; M181-F261 HydrophobicContact CE-CD1 4.19Å; M181-F261 HydrophobicContact CE-CD2 4.07Å; M181-F261 HydrophobicContact CE-CE1 3.6Å; M181-F261 HydrophobicContact CE-CE2 3.46Å; M181-F261 VanDerWaalsContact CE-CE2 3.46Å; M181-F261 HydrophobicContact CE-CG 4.4Å; M181-F261 HydrophobicContact CE-CZ 3.21Å; M181-F261 HydrophobicContact CG-CE1 4.35Å; M181-F261 HydrophobicContact CG-CE2 4.37Å; M181-F261 HydrophobicContact CG-CZ 3.62Å; M181-F261 HydrophobicContact SD-CD1 4.37Å; M181-F261 HydrophobicContact SD-CE1 3.34Å; M181-F261 WeakPolarHBondContact SD-CE1 3.5Å; M181-F261 HydrophobicContact SD-CE2 4.02Å; M181-F261 HydrophobicContact SD-CZ 3.14Å; M181-F261 WeakPolarHBondContact SD-CZ 3.45Å
182	F	97.8	Very high	95.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.7	-179.9	-56.9	-86.3	0	0	0	109.9	A122 A129 M131 V141 V171 F210 Y211	A122-F182 HydrophobicContact CB-CD1 3.92Å; A122-F182 HydrophobicContact CB-CE1 4.29Å; A129-F182 HydrophobicContact CB-CE2 4.43Å; A129-F182 HydrophobicContact CB-CZ 4Å; M131-F182 HydrophobicContact CB-CD1 3.49Å; M131-F182 VanDerWaalsContact CB-CD1 3.49Å; M131-F182 HydrophobicContact CB-CD2 4.15Å; M131-F182 HydrophobicContact CB-CE1 3.53Å; M131-F182 HydrophobicContact CB-CE2 4.18Å; M131-F182 HydrophobicContact CB-CG 3.82Å; M131-F182 HydrophobicContact CB-CZ 3.88Å; M131-F182 HydrophobicContact CE-CB 3.63Å; M131-F182 HydrophobicContact CE-CD2 3.67Å; M131-F182 HydrophobicContact CE-CE2 4.49Å; M131-F182 HydrophobicContact CE-CG 3.71Å; M131-F182 HydrophobicContact SD-CB 3.78Å; M131-F182 HydrophobicContact SD-CD1 4.42Å; M131-F182 HydrophobicContact SD-CG 4Å; V141-F182 HydrophobicContact CG1-CE2 3.83Å; V141-F182 HydrophobicContact CG1-CZ 4.27Å; V141-F182 HydrophobicContact CG2-CD2 4.48Å; V141-F182 HydrophobicContact CG2-CE2 4.25Å; V171-F182 CarbonylContact O-C 3.46Å; V171-F182 VanDerWaalsContact O-CA 3.28Å; V171-F182 WeakPolarHBondContact O-CA 3.3Å; F182-F210 CarbonylContact O-C 3.53Å; F182-F210 VanDerWaalsContact O-CA 3.3Å; F182-F210 WeakPolarHBondContact O-CA 3.4Å; F182-Y211 PolarHBondContact N-O 2.81Å; F182-Y211 PolarHBondContact O-N 2.83Å
183	A	97.3	Very high	95.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.9	175.1	0	0	0	0	0	109.7	V170 V171 V173 L208 T209 F210 L235 V248	V170-A183 VanDerWaalsContact CA-O 3.32Å; V170-A183 WeakPolarHBondContact CA-O 3.11Å; V171-A183 HydrophobicContact CG2-CB 3.98Å; V171-A183 PolarHBondContact N-O 3.1Å; V171-A183 PolarHBondContact O-N 3.16Å; V173-A183 HydrophobicContact CG2-CB 3.77Å; A183-L208 HydrophobicContact CB-CD1 4.17Å; A183-T209 CarbonylContact C-O 3.14Å; A183-T209 WeakPolarHBondContact CA-O 3.38Å; A183-F210 HydrophobicContact CB-CD1 3.7Å; A183-F210 HydrophobicContact CB-CE1 3.62Å; A183-F210 HydrophobicContact CB-CZ 4.42Å; A183-L235 HydrophobicContact CB-CD1 4.15Å; A183-V248 HydrophobicContact CB-CG1 4.03Å
184	C	97.9	Very high	95.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136	-179.5	-59.8	0	0	0	0	110.3	H169 V170 E186 T209 Y211	H169-C184 WeakPolarHBondContact O-CA 3.43Å; V170-C184 HydrophobicContact CG2-CB 4.5Å; C184-E186 HydrophobicContact CB-CG 3.74Å; C184-E186 WeakPolarHBondContact CB-OE1 3.23Å; C184-T209 PolarHBondContact N-O 2.92Å; C184-T209 PolarHBondContact O-N 2.87Å; C184-Y211 HydrophobicContact CB-CE2 4.18Å
185	L	97.7	Very high	95	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	118.1	161.5	-67.2	177.5	0	0	0	108.3	V167 Y168 H169 L208 L228 L235 I250	V167-L185 WeakPolarHBondContact CA-O 3.35Å; Y168-L185 PolarHBondContact N-O 3.44Å; H169-L185 HydrophobicContact CB-CB 4.47Å; H169-L185 HydrophobicContact CB-CD1 3.99Å; H169-L185 HydrophobicContact CB-CG 4.38Å; H169-L185 PolarHBondContact O-N 3.13Å; L185-L208 HydrophobicContact CD2-CD1 4.14Å; L185-L228 HydrophobicContact CD2-CD1 3.55Å; L185-L235 HydrophobicContact CD1-CD2 4.15Å; L185-L235 HydrophobicContact CD1-CG 3.98Å; L185-L235 HydrophobicContact CD2-CD1 4.49Å; L185-L235 HydrophobicContact CD2-CD2 3.9Å; L185-L235 HydrophobicContact CD2-CG 4.33Å; L185-L235 HydrophobicContact CG-CD1 3.94Å; L185-L235 HydrophobicContact CG-CD2 3.93Å; L185-L235 HydrophobicContact CG-CG 3.81Å; L185-I250 HydrophobicContact CD2-CG2 4.39Å
186	E	96.9	Very high	94.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149.6	-172	-65.1	-170.7	178.3	0	0	111.7	K139 T165 L166 V167 C184 Q206 T207 Y211	K139-E186 WeakPolarHBondContact CE-OE1 3.31Å; K139-E186 IonicContact NZ-OE1 2.71Å; K139-E186 PolarHBondContact NZ-OE1 3.47Å; K139-E186 IonicContact NZ-OE2 3.73Å; T165-E186 HydrophobicContact CG2-CB 3.73Å; T165-E186 HydrophobicContact CG2-CG 4.01Å; L166-E186 CarbonylContact O-C 3.57Å; L166-E186 VanDerWaalsContact O-CA 3.23Å; L166-E186 WeakPolarHBondContact O-CA 3.42Å; V167-E186 HydrophobicContact CG2-CG 4.49Å; C184-E186 HydrophobicContact CB-CG 3.74Å; C184-E186 WeakPolarHBondContact CB-OE1 3.23Å; E186-Q206 CarbonylContact O-C 3.55Å; E186-Q206 WeakPolarHBondContact O-CA 3.37Å; E186-Q206 VanDerWaalsContact O-CG 3.29Å; E186-Q206 WeakPolarHBondContact O-CG 3.34Å; E186-T207 PolarHBondContact N-O 2.87Å; E186-T207 PolarHBondContact O-N 2.95Å; E186-T207 PolarHBondContact O-OG1 2.94Å; E186-Y211 WeakPolarHBondContact OE1-CE2 3.32Å; E186-Y211 PolarHBondContact OE1-OH 3.05Å; E186-Y211 PolarHBondContact OE2-OH 3.32Å
187	M	95.6	Very high	94.7	Very high	38 Å²	38	59.1 Å²	59.1	19%	0.187	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.2	170.5	-167.1	173.1	72.6	0	0	109.6	T165 L166 Y168 T204	T165-M187 CarbonylContact C-O 3.57Å; T165-M187 WeakPolarHBondContact CA-O 3.27Å; L166-M187 HydrophobicContact CD1-CE 4.19Å; L166-M187 PolarHBondContact N-O 3.39Å; L166-M187 PolarHBondContact O-N 2.86Å; Y168-M187 HydrophobicContact CE2-CB 3.7Å; Y168-M187 WeakPolarHBondContact OH-CE 3.37Å; M187-T204 HydrophobicContact CG-CG2 3.44Å; M187-T204 VanDerWaalsContact CG-CG2 3.44Å; M187-T204 HydrophobicContact SD-CG2 4.04Å
188	D	95.1	Very high	94.5	Very high	51 Å²	51	53.5 Å²	53.5	27%	0.273	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	115.5	179.4	-159.1	-40.7	0	0	0	110	K162 N164 E190 T204	K162-D188 WeakPolarHBondContact CE-OD2 3.44Å; K162-D188 IonicContact NZ-OD2 3.48Å; K162-D188 PolarHBondContact NZ-OD2 3.2Å; N164-D188 CarbonylContact O-C 3.32Å; N164-D188 WeakPolarHBondContact O-CA 3.18Å; D188-E190 WeakPolarHBondContact OD1-CB 3.38Å; D188-E190 PolarHBondContact OD1-N 2.98Å; D188-E190 VanDerWaalsContact OD1-N 3.13Å; D188-T204 WeakPolarHBondContact O-CG2 3.46Å
189	Y	94.3	Very high	94.4	Very high	33 Å²	33	53.4 Å²	53.4	13%	0.129	29%	0.293	C	S	.	.			trans	-104	10.2	-176.4	66.1	-96.4	0	0	0	112.7	E136 N164 L166 E191 A192 D193	E136-Y189 HydrophobicContact CG-CE1 4.49Å; E136-Y189 PolarHBondContact OE1-OH 3.24Å; N164-Y189 VanDerWaalsContact C-CD1 3.45Å; N164-Y189 HydrophobicContact CB-CD2 4.5Å; N164-Y189 HydrophobicContact CB-CE2 4.18Å; N164-Y189 WeakPolarHBondContact O-CD1 3.43Å; N164-Y189 WeakPolarHBondContact O-CE1 3.32Å; N164-Y189 PolarHBondContact O-N 3.34Å; L166-Y189 HydrophobicContact CD1-CD1 4.37Å; L166-Y189 HydrophobicContact CD2-CE1 4.22Å; L166-Y189 HydrophobicContact CG-CD1 3.83Å; L166-Y189 HydrophobicContact CG-CE1 4.01Å; Y189-E191 VanDerWaalsContact C-N 3.32Å; Y189-E191 PolarHBondContact O-N 3.43Å; Y189-A192 PolarHBondContact O-N 2.89Å; Y189-D193 HydrophobicContact CD2-CB 4.36Å; Y189-D193 VanDerWaalsContact CD2-CG 3.49Å; Y189-D193 WeakPolarHBondContact CD2-OD2 3.32Å; Y189-D193 WeakPolarHBondContact CE2-OD2 3.35Å; Y189-D193 PolarHBondContact O-N 3.18Å
190	E	94.6	Very high	94.2	Very high	104 Å²	104	52 Å²	52	49%	0.486	29%	0.288	S	S	.	.	H	α-helix	trans	-56.5	-44.1	-177.4	-171.5	172.5	-173.7	0	0	112.5	N164 D188 N194	N164-E190 HydrophobicContact CB-CB 3.69Å; N164-E190 HydrophobicContact CB-CG 4.33Å; D188-E190 WeakPolarHBondContact OD1-CB 3.38Å; D188-E190 PolarHBondContact OD1-N 2.98Å; D188-E190 VanDerWaalsContact OD1-N 3.13Å; E190-N194 PolarHBondContact O-ND2 2.86Å
191	E	93.5	Very high	93.8	Very high	148 Å²	148	54.8 Å²	54.8	69%	0.692	31%	0.311	S	S	*	.	H	α-helix	trans	-70.1	-41.2	178.1	-64.1	-171.7	171.5	0	0	111.8	Y189 D193 N194 D195 A200	Y189-E191 VanDerWaalsContact C-N 3.32Å; Y189-E191 PolarHBondContact O-N 3.43Å; E191-D193 VanDerWaalsContact C-N 3.34Å; E191-D193 PolarHBondContact O-N 3.13Å; E191-N194 PolarHBondContact O-N 3.14Å; E191-N194 VanDerWaalsContact O-N 3.11Å; E191-D195 PolarHBondContact O-N 2.9Å; E191-D195 VanDerWaalsContact O-N 3.11Å; E191-A200 HydrophobicContact CB-CB 4.18Å
192	A	92	Very high	93.4	Very high	21 Å²	21	58.6 Å²	58.6	17%	0.174	34%	0.342	C	S	.	.	H	α-helix	trans	-60.2	-40.1	178.5	0	0	0	0	0	112.8	Y189 N194 D195 A201	Y189-A192 PolarHBondContact O-N 2.89Å; A192-N194 PolarHBondContact O-N 2.86Å; A192-D195 PolarHBondContact O-N 3.22Å; A192-A201 HydrophobicContact CB-CB 3.83Å
193	D	90.9	Very high	93	Very high	114 Å²	114	63.8 Å²	63.8	61%	0.61	37%	0.37	S	S	*	.	H	α-helix	trans	-66.2	-27.2	177.1	-94.5	8.4	0	0	0	112.9	Y189 E191	Y189-D193 HydrophobicContact CD2-CB 4.36Å; Y189-D193 VanDerWaalsContact CD2-CG 3.49Å; Y189-D193 WeakPolarHBondContact CD2-OD2 3.32Å; Y189-D193 WeakPolarHBondContact CE2-OD2 3.35Å; Y189-D193 PolarHBondContact O-N 3.18Å; E191-D193 VanDerWaalsContact C-N 3.34Å; E191-D193 PolarHBondContact O-N 3.13Å
194	N	92	Very high	92.8	Very high	127 Å²	127	65.3 Å²	65.3	68%	0.679	38%	0.379	S	S	*	.	H	α-helix	trans	-92.7	-7.4	179.7	-70.7	-64.4	0	0	0	113.2	E190 E191 A192 P196	E190-N194 PolarHBondContact O-ND2 2.86Å; E191-N194 PolarHBondContact O-N 3.14Å; E191-N194 VanDerWaalsContact O-N 3.11Å; A192-N194 PolarHBondContact O-N 2.86Å; N194-P196 WeakPolarHBondContact O-CD 3.05Å
195	D	92.7	Very high	92.5	Very high	35 Å²	35	71 Å²	71	19%	0.187	41%	0.406	C	S	.	.			trans	-104.3	102.3	-177.9	177.9	23.7	0	0	0	112.4	E191 A192 T197 G198 E199 A200	E191-D195 PolarHBondContact O-N 2.9Å; E191-D195 VanDerWaalsContact O-N 3.11Å; A192-D195 PolarHBondContact O-N 3.22Å; D195-T197 PolarHBondContact O-N 3.31Å; D195-T197 WeakPolarHBondContact OD1-CB 3.16Å; D195-T197 WeakPolarHBondContact OD1-CG2 3.37Å; D195-T197 PolarHBondContact OD1-N 2.94Å; D195-T197 PolarHBondContact OD1-OG1 3.23Å; D195-T197 PolarHBondContact OD2-OG1 2.81Å; D195-G198 PolarHBondContact O-N 3.05Å; D195-G198 PolarHBondContact OD2-N 2.64Å; D195-E199 PolarHBondContact OD2-N 2.84Å; D195-A200 HydrophobicContact CB-CB 3.61Å; D195-A200 WeakPolarHBondContact OD2-CB 3.44Å; D195-A200 PolarHBondContact OD2-N 2.83Å
196	P	91.6	Very high	92.4	Very high	132 Å²	132	71.4 Å²	71.4	86%	0.857	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-11.6	178.2	31.2	-36.4	0	0	0	113.5	N194	N194-P196 WeakPolarHBondContact O-CD 3.05Å
197	T	92.1	Very high	92.4	Very high	104 Å²	104	72.6 Å²	72.6	64%	0.638	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-22.8	179.5	74.2	0	0	0	0	112.6	D195 E199	D195-T197 PolarHBondContact O-N 3.31Å; D195-T197 WeakPolarHBondContact OD1-CB 3.16Å; D195-T197 WeakPolarHBondContact OD1-CG2 3.37Å; D195-T197 PolarHBondContact OD1-N 2.94Å; D195-T197 PolarHBondContact OD1-OG1 3.23Å; D195-T197 PolarHBondContact OD2-OG1 2.81Å; T197-E199 VanDerWaalsContact C-N 3.26Å; T197-E199 WeakPolarHBondContact OG1-CB 3.26Å; T197-E199 PolarHBondContact OG1-N 2.91Å
198	G	89.4	Confident	92.4	Very high	36 Å²	36	70.9 Å²	70.9	37%	0.371	41%	0.407	S	S	.	.	S	Bend	trans	79.5	2.1	-175.3	0	0	0	0	0	114.4	D195 A201 A202	D195-G198 PolarHBondContact O-N 3.05Å; D195-G198 PolarHBondContact OD2-N 2.64Å; G198-A201 PolarHBondContact O-N 3.39Å; G198-A202 PolarHBondContact O-N 2.7Å; G198-A202 VanDerWaalsContact O-N 3.16Å
199	E	92.2	Very high	92.4	Very high	131 Å²	131	68.4 Å²	68.4	61%	0.612	39%	0.394	S	S	*	.	H	α-helix	trans	-66.2	-42.4	177.9	-176.8	175.4	-179.6	0	0	111.3	D195 T197 A201 A202 N203	D195-E199 PolarHBondContact OD2-N 2.84Å; T197-E199 VanDerWaalsContact C-N 3.26Å; T197-E199 WeakPolarHBondContact OG1-CB 3.26Å; T197-E199 PolarHBondContact OG1-N 2.91Å; E199-A201 VanDerWaalsContact C-N 3.32Å; E199-A201 PolarHBondContact O-N 3.08Å; E199-A202 PolarHBondContact O-N 2.94Å; E199-N203 WeakPolarHBondContact CG-ND2 3.32Å; E199-N203 WeakPolarHBondContact O-CB 3.17Å; E199-N203 VanDerWaalsContact O-CG 3.31Å; E199-N203 PolarHBondContact O-N 2.92Å; E199-N203 PolarHBondContact O-ND2 3.02Å
200	A	90.7	Very high	92.5	Very high	16 Å²	16	67 Å²	67	13%	0.132	39%	0.388	C	S	.	.	H	α-helix	trans	-63.1	-38.8	175.9	0	0	0	0	0	111.7	E191 D195 A202 N203 T204	E191-A200 HydrophobicContact CB-CB 4.18Å; D195-A200 HydrophobicContact CB-CB 3.61Å; D195-A200 WeakPolarHBondContact OD2-CB 3.44Å; D195-A200 PolarHBondContact OD2-N 2.83Å; A200-A202 VanDerWaalsContact C-N 3.31Å; A200-A202 PolarHBondContact O-N 3.23Å; A200-N203 PolarHBondContact O-N 3.14Å; A200-T204 PolarHBondContact O-N 3.23Å; A200-T204 PolarHBondContact O-OG1 3.28Å
201	A	88.7	Confident	92.6	Very high	58 Å²	58	62.4 Å²	62.4	48%	0.479	37%	0.366	S	S	.	.	H	α-helix	trans	-63.1	-37.6	175.2	0	0	0	0	0	112.1	A192 G198 E199	A192-A201 HydrophobicContact CB-CB 3.83Å; G198-A201 PolarHBondContact O-N 3.39Å; E199-A201 VanDerWaalsContact C-N 3.32Å; E199-A201 PolarHBondContact O-N 3.08Å
202	A	88.6	Confident	92.8	Very high	82 Å²	82	56.8 Å²	56.8	68%	0.678	34%	0.34	S	S	*	.	H	α-helix	trans	-72.7	-30	176.6	0	0	0	0	0	113.2	G198 E199 A200	G198-A202 PolarHBondContact O-N 2.7Å; G198-A202 VanDerWaalsContact O-N 3.16Å; E199-A202 PolarHBondContact O-N 2.94Å; A200-A202 VanDerWaalsContact C-N 3.31Å; A200-A202 PolarHBondContact O-N 3.23Å
203	N	90.1	Very high	93.1	Very high	109 Å²	109	55.8 Å²	55.8	58%	0.583	33%	0.332	S	S	*	.	H	α-helix	trans	-92.7	-7.9	-178.9	-67.7	-28.9	0	0	0	113.9	E199 A200 Q205	E199-N203 WeakPolarHBondContact CG-ND2 3.32Å; E199-N203 WeakPolarHBondContact O-CB 3.17Å; E199-N203 VanDerWaalsContact O-CG 3.31Å; E199-N203 PolarHBondContact O-N 2.92Å; E199-N203 PolarHBondContact O-ND2 3.02Å; A200-N203 PolarHBondContact O-N 3.14Å; N203-Q205 PolarHBondContact O-N 3.22Å
204	T	91.6	Very high	93.3	Very high	33 Å²	33	52.5 Å²	52.5	20%	0.202	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-66.4	123.4	-179.5	-64.5	0	0	0	0	110	M187 D188 A200	M187-T204 HydrophobicContact CG-CG2 3.44Å; M187-T204 VanDerWaalsContact CG-CG2 3.44Å; M187-T204 HydrophobicContact SD-CG2 4.04Å; D188-T204 WeakPolarHBondContact O-CG2 3.46Å; A200-T204 PolarHBondContact O-N 3.23Å; A200-T204 PolarHBondContact O-OG1 3.28Å
205	Q	92.2	Very high	93.2	Very high	119 Å²	119	49.9 Å²	49.9	56%	0.556	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-94.4	141	177.5	-67.8	-177.9	-35.9	0	0	111.5	N203 P227	N203-Q205 PolarHBondContact O-N 3.22Å; Q205-P227 HydrophobicContact CB-CB 4.21Å; Q205-P227 VanDerWaalsContact OE1-CB 3.3Å
206	Q	95.7	Very high	93	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.037	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	142.8	167.5	-164.2	-170.2	59.5	0	0	109.2	E186 L228 H231 G232	E186-Q206 CarbonylContact O-C 3.55Å; E186-Q206 WeakPolarHBondContact O-CA 3.37Å; E186-Q206 VanDerWaalsContact O-CG 3.29Å; E186-Q206 WeakPolarHBondContact O-CG 3.34Å; Q206-L228 HydrophobicContact CG-CD1 4.47Å; Q206-L228 PolarHBondContact O-N 3.02Å; Q206-H231 PolarHBondContact NE2-CE1 2.59Å; Q206-H231 PolarHBondContact NE2-NE2 2.85Å; Q206-G232 PolarHBondContact NE2-O 2.9Å; Q206-G232 PolarHBondContact OE1-O 2.99Å
207	T	96.1	Very high	92.9	Very high	26 Å²	26	51.6 Å²	51.6	16%	0.16	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142.7	179.5	59.7	0	0	0	0	111.5	E186 E226	E186-T207 PolarHBondContact N-O 2.87Å; E186-T207 PolarHBondContact O-N 2.95Å; E186-T207 PolarHBondContact O-OG1 2.94Å; T207-E226 CarbonylContact C-O 3.47Å; T207-E226 WeakPolarHBondContact CA-O 3.45Å; T207-E226 WeakPolarHBondContact CB-O 3.5Å
208	L	96.2	Very high	92.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.1	162.3	-179.6	70	0	0	0	109	A183 L185 F210 S225 E226 L228 L235 V248 I250 K259	A183-L208 HydrophobicContact CB-CD1 4.17Å; L185-L208 HydrophobicContact CD2-CD1 4.14Å; L208-F210 HydrophobicContact CD2-CE2 3.51Å; L208-F210 HydrophobicContact CD2-CZ 3.6Å; L208-F210 HydrophobicContact CG-CD2 4.42Å; L208-F210 HydrophobicContact CG-CE2 3.8Å; L208-F210 HydrophobicContact CG-CZ 4.12Å; L208-S225 WeakPolarHBondContact O-CA 3.46Å; L208-E226 PolarHBondContact N-O 2.83Å; L208-E226 PolarHBondContact O-N 3.01Å; L208-L228 HydrophobicContact CB-CD2 3.97Å; L208-L228 HydrophobicContact CB-CG 4.41Å; L208-L235 HydrophobicContact CD1-CD1 4.01Å; L208-L235 HydrophobicContact CD1-CD2 4.04Å; L208-V248 HydrophobicContact CD2-CG2 3.99Å; L208-I250 HydrophobicContact CD2-CD1 3.82Å; L208-I250 HydrophobicContact CD2-CG1 4.37Å; L208-K259 HydrophobicContact CD2-CB 4.35Å; L208-K259 HydrophobicContact CD2-CD 3.76Å; L208-K259 HydrophobicContact CD2-CG 4.09Å
209	T	96	Very high	93	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.9	-177	-54.3	0	0	0	0	111.1	A183 C184 Y211 R222 S225	A183-T209 CarbonylContact C-O 3.14Å; A183-T209 WeakPolarHBondContact CA-O 3.38Å; C184-T209 PolarHBondContact N-O 2.92Å; C184-T209 PolarHBondContact O-N 2.87Å; T209-Y211 HydrophobicContact CG2-CD2 4.18Å; T209-Y211 HydrophobicContact CG2-CE1 4.5Å; T209-Y211 HydrophobicContact CG2-CE2 3.52Å; T209-R222 HydrophobicContact CG2-CG 3.59Å; T209-S225 PolarHBondContact OG1-OG 3.07Å
210	F	96.3	Very high	93.3	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.009	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.6	176	-64.6	-89.7	0	0	0	111.8	V173 M181 F182 A183 L208 R222 K223 Y224 V248 F261	V173-F210 HydrophobicContact CG2-CD1 4.09Å; V173-F210 HydrophobicContact CG2-CE1 4.01Å; M181-F210 HydrophobicContact CG-CB 4.48Å; M181-F210 HydrophobicContact CG-CD1 4.37Å; M181-F210 HydrophobicContact SD-CB 4.14Å; F182-F210 CarbonylContact O-C 3.53Å; F182-F210 VanDerWaalsContact O-CA 3.3Å; F182-F210 WeakPolarHBondContact O-CA 3.4Å; A183-F210 HydrophobicContact CB-CD1 3.7Å; A183-F210 HydrophobicContact CB-CE1 3.62Å; A183-F210 HydrophobicContact CB-CZ 4.42Å; L208-F210 HydrophobicContact CD2-CE2 3.51Å; L208-F210 HydrophobicContact CD2-CZ 3.6Å; L208-F210 HydrophobicContact CG-CD2 4.42Å; L208-F210 HydrophobicContact CG-CE2 3.8Å; L208-F210 HydrophobicContact CG-CZ 4.12Å; F210-R222 CarbonylContact O-C 3.56Å; F210-K223 PolarHBondContact O-N 2.76Å; F210-Y224 AromaticContact CD2-CD1 3.87Å; F210-Y224 HydrophobicContact CD2-CD1 3.87Å; F210-Y224 HydrophobicContact CE2-CD1 4.15Å; F210-Y224 PolarHBondContact N-O 3.02Å; F210-Y224 PolarHBondContact O-N 3.35Å; F210-V248 HydrophobicContact CE1-CG1 4.48Å; F210-V248 HydrophobicContact CE1-CG2 4.42Å; F210-V248 HydrophobicContact CZ-CG2 4.11Å; F210-F261 HydrophobicContact CB-CE1 3.74Å; F210-F261 HydrophobicContact CB-CZ 4.16Å; F210-F261 AromaticContact CD1-CE1 3.46Å; F210-F261 HydrophobicContact CD1-CE1 3.46Å; F210-F261 VanDerWaalsContact CD1-CE1 3.46Å; F210-F261 HydrophobicContact CD1-CE2 4.26Å; F210-F261 AromaticContact CD1-CZ 3.17Å; F210-F261 HydrophobicContact CD1-CZ 3.17Å; F210-F261 AromaticContact CD2-CE1 3.94Å; F210-F261 HydrophobicContact CD2-CE1 3.94Å; F210-F261 HydrophobicContact CD2-CZ 4.45Å; F210-F261 AromaticContact CE1-CE1 3.88Å; F210-F261 HydrophobicContact CE1-CE1 3.88Å; F210-F261 HydrophobicContact CE1-CE2 4.16Å; F210-F261 AromaticContact CE1-CZ 3.44Å; F210-F261 HydrophobicContact CE1-CZ 3.44Å; F210-F261 VanDerWaalsContact CE1-CZ 3.44Å; F210-F261 HydrophobicContact CE2-CE1 4.33Å; F210-F261 AromaticContact CG-CE1 3.44Å; F210-F261 HydrophobicContact CG-CE1 3.44Å; F210-F261 VanDerWaalsContact CG-CE1 3.44Å; F210-F261 AromaticContact CG-CZ 3.7Å; F210-F261 HydrophobicContact CG-CZ 3.7Å; F210-F261 HydrophobicContact CZ-CE1 4.27Å; F210-F261 HydrophobicContact CZ-CZ 4.19Å
211	Y	97.2	Very high	93.4	Very high	9 Å²	9	49.7 Å²	49.7	4%	0.035	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.7	174.8	-64.1	-91.2	0	0	0	109.7	M131 K139 A160 M181 F182 C184 E186 T209 V220 V221 R222	M131-Y211 HydrophobicContact CE-CD2 4.34Å; M131-Y211 HydrophobicContact CE-CG 4.21Å; K139-Y211 HydrophobicContact CD-CE2 4.15Å; K139-Y211 PolarHBondContact NZ-OH 3.41Å; K139-Y211 VanDerWaalsContact NZ-OH 3.09Å; A160-Y211 HydrophobicContact CB-CD1 3.84Å; A160-Y211 HydrophobicContact CB-CE1 4.06Å; A160-Y211 HydrophobicContact CB-CG 4.49Å; M181-Y211 CarbonylContact C-O 3.58Å; M181-Y211 VanDerWaalsContact CA-O 3.3Å; M181-Y211 WeakPolarHBondContact CA-O 3.22Å; M181-Y211 WeakPolarHBondContact CG-O 3.34Å; F182-Y211 PolarHBondContact N-O 2.81Å; F182-Y211 PolarHBondContact O-N 2.83Å; C184-Y211 HydrophobicContact CB-CE2 4.18Å; E186-Y211 WeakPolarHBondContact OE1-CE2 3.32Å; E186-Y211 PolarHBondContact OE1-OH 3.05Å; E186-Y211 PolarHBondContact OE2-OH 3.32Å; T209-Y211 HydrophobicContact CG2-CD2 4.18Å; T209-Y211 HydrophobicContact CG2-CE1 4.5Å; T209-Y211 HydrophobicContact CG2-CE2 3.52Å; Y211-V220 HydrophobicContact CD1-CG1 4.33Å; Y211-V221 CarbonylContact C-O 3.57Å; Y211-V221 VanDerWaalsContact CA-O 3.3Å; Y211-V221 WeakPolarHBondContact CA-O 3.39Å; Y211-R222 HydrophobicContact CD1-CB 4.23Å; Y211-R222 HydrophobicContact CE1-CB 4.1Å; Y211-R222 HydrophobicContact CE1-CG 4.37Å
212	E	96.9	Very high	93.7	Very high	30 Å²	30	53.9 Å²	53.9	14%	0.14	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.9	177.4	177.4	175.6	-153.8	0	0	109.6	N179 M181 V220 V221 K223	N179-E212 HydrophobicContact CB-CG 3.81Å; N179-E212 WeakPolarHBondContact CB-OE1 3.2Å; N179-E212 PolarHBondContact ND2-OE1 3.14Å; M181-E212 HydrophobicContact SD-CB 4.15Å; E212-V220 CarbonylContact O-C 3.46Å; E212-V220 WeakPolarHBondContact O-CA 3.32Å; E212-V221 HydrophobicContact CB-CG2 3.99Å; E212-V221 PolarHBondContact N-O 3.43Å; E212-V221 PolarHBondContact O-N 2.87Å; E212-K223 HydrophobicContact CB-CB 4.15Å; E212-K223 HydrophobicContact CB-CD 4.17Å; E212-K223 IonicContact OE1-NZ 3.21Å; E212-K223 PolarHBondContact OE1-NZ 3.48Å; E212-K223 WeakPolarHBondContact OE2-CD 3.38Å; E212-K223 WeakPolarHBondContact OE2-CE 3.35Å; E212-K223 IonicContact OE2-NZ 3.08Å; E212-K223 PolarHBondContact OE2-NZ 2.91Å
213	L	97.1	Very high	93.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	104.9	167.7	170.5	62.5	0	0	0	108.8	A129 V141 I143 L158 N179 P180 L215 V220	A129-L213 HydrophobicContact CB-CD2 3.6Å; V141-L213 HydrophobicContact CG1-CD2 3.99Å; I143-L213 HydrophobicContact CD1-CD1 4.26Å; I143-L213 HydrophobicContact CD1-CD2 4.19Å; I143-L213 HydrophobicContact CG1-CD1 4.49Å; I143-L213 HydrophobicContact CG1-CD2 3.86Å; L158-L213 HydrophobicContact CD1-CD1 3.34Å; N179-L213 VanDerWaalsContact CB-O 3.29Å; N179-L213 WeakPolarHBondContact CB-O 3.29Å; P180-L213 HydrophobicContact CB-CB 4.29Å; P180-L213 HydrophobicContact CB-CD2 4.34Å; P180-L213 HydrophobicContact CG-CD2 4.19Å; P180-L213 PolarHBondContact O-N 2.62Å; L213-L215 HydrophobicContact CD2-CD2 3.86Å; L213-L215 HydrophobicContact CG-CD2 4.1Å; L213-L215 PolarHBondContact O-N 2.84Å; L213-V220 HydrophobicContact CB-CG2 4.44Å; L213-V220 HydrophobicContact CD1-CG2 3.89Å
214	D	95.2	Very high	93.9	Very high	44 Å²	44	54.5 Å²	54.5	24%	0.235	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	107.1	171.1	-171.2	-39.1	0	0	0	109.1	G216 L217 N218 H219	D214-G216 VanDerWaalsContact C-N 3.26Å; D214-G216 PolarHBondContact O-N 3.2Å; D214-G216 WeakPolarHBondContact OD1-CA 3.49Å; D214-G216 PolarHBondContact OD1-N 2.88Å; D214-L217 HydrophobicContact CB-CB 4.18Å; D214-L217 PolarHBondContact OD1-N 3.16Å; D214-N218 VanDerWaalsContact O-CA 3.29Å; D214-N218 WeakPolarHBondContact O-CA 3.45Å; D214-N218 PolarHBondContact O-N 3.25Å; D214-H219 PolarHBondContact N-O 3.03Å; D214-H219 PolarHBondContact O-N 2.76Å
215	L	89.9	Confident	94	Very high	73 Å²	73	55.1 Å²	55.1	38%	0.382	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-24.1	-179.9	-68.4	174.2	0	0	0	112.8	I143 N179 P180 L213	I143-L215 HydrophobicContact CD1-CD2 4.09Å; I143-L215 HydrophobicContact CG2-CD2 4.43Å; N179-L215 PolarHBondContact OD1-N 3.43Å; P180-L215 HydrophobicContact CG-CD1 4.26Å; P180-L215 HydrophobicContact CG-CD2 4.48Å; P180-L215 HydrophobicContact CG-CG 4.44Å; L213-L215 HydrophobicContact CD2-CD2 3.86Å; L213-L215 HydrophobicContact CG-CD2 4.1Å; L213-L215 PolarHBondContact O-N 2.84Å
216	G	89.5	Confident	94	Very high	71 Å²	71	51.9 Å²	51.9	73%	0.732	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-40.6	177.7	0	0	0	0	0	112.4	D214	D214-G216 VanDerWaalsContact C-N 3.26Å; D214-G216 PolarHBondContact O-N 3.2Å; D214-G216 WeakPolarHBondContact OD1-CA 3.49Å; D214-G216 PolarHBondContact OD1-N 2.88Å
217	L	89.3	Confident	93.9	Very high	132 Å²	132	54.7 Å²	54.7	69%	0.691	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-11.5	177.2	-63.3	179.7	0	0	0	113.6	D214 H219	D214-L217 HydrophobicContact CB-CB 4.18Å; D214-L217 PolarHBondContact OD1-N 3.16Å; L217-H219 VanDerWaalsContact C-N 3.3Å; L217-H219 HydrophobicContact CB-CB 4.47Å; L217-H219 PolarHBondContact O-N 3.37Å
218	N	89.9	Confident	93.8	Very high	85 Å²	85	54.4 Å²	54.4	46%	0.455	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	48.2	-175.2	-168.6	47.3	0	0	0	111.8	I143 L158 D214	I143-N218 WeakPolarHBondContact CD1-OD1 3.5Å; L158-N218 WeakPolarHBondContact CD2-O 3.47Å; D214-N218 VanDerWaalsContact O-CA 3.29Å; D214-N218 WeakPolarHBondContact O-CA 3.45Å; D214-N218 PolarHBondContact O-N 3.25Å
219	H	94.4	Very high	93.4	Very high	99 Å²	99	61.9 Å²	61.9	46%	0.458	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	149.9	-176.3	174.5	-92.8	0	0	0	110.5	D214 L217 V221	D214-H219 PolarHBondContact N-O 3.03Å; D214-H219 PolarHBondContact O-N 2.76Å; L217-H219 VanDerWaalsContact C-N 3.3Å; L217-H219 HydrophobicContact CB-CB 4.47Å; L217-H219 PolarHBondContact O-N 3.37Å; H219-V221 VanDerWaalsContact ND1-CG1 3.3Å; H219-V221 WeakPolarHBondContact ND1-CG1 3.31Å
220	V	96.8	Very high	93.1	Very high	7 Å²	7	64 Å²	64	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.3	178.3	-175.7	0	0	0	0	110	V141 L158 A160 Y211 E212 L213	V141-V220 HydrophobicContact CB-CG2 3.74Å; V141-V220 HydrophobicContact CG1-CG2 4.22Å; V141-V220 HydrophobicContact CG2-CG1 4.28Å; V141-V220 HydrophobicContact CG2-CG2 3.74Å; L158-V220 HydrophobicContact CB-CG2 3.72Å; L158-V220 HydrophobicContact CD1-CG2 4.14Å; A160-V220 HydrophobicContact CB-CB 4.29Å; A160-V220 HydrophobicContact CB-CG1 3.76Å; Y211-V220 HydrophobicContact CD1-CG1 4.33Å; E212-V220 CarbonylContact O-C 3.46Å; E212-V220 WeakPolarHBondContact O-CA 3.32Å; L213-V220 HydrophobicContact CB-CG2 4.44Å; L213-V220 HydrophobicContact CD1-CG2 3.89Å
221	V	94.5	Very high	92.8	Very high	55 Å²	55	68.1 Å²	68.1	33%	0.333	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.4	178.3	-62.7	0	0	0	0	110.8	Y211 E212 H219 K223	Y211-V221 CarbonylContact C-O 3.57Å; Y211-V221 VanDerWaalsContact CA-O 3.3Å; Y211-V221 WeakPolarHBondContact CA-O 3.39Å; E212-V221 HydrophobicContact CB-CG2 3.99Å; E212-V221 PolarHBondContact N-O 3.43Å; E212-V221 PolarHBondContact O-N 2.87Å; H219-V221 VanDerWaalsContact ND1-CG1 3.3Å; H219-V221 WeakPolarHBondContact ND1-CG1 3.31Å; V221-K223 PolarHBondContact O-N 3.44Å; V221-K223 VanDerWaalsContact O-N 3.17Å
222	R	94	Very high	92.7	Very high	147 Å²	147	67.7 Å²	67.7	56%	0.555	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	99.5	164.4	-176	-179.2	67.2	178.7	0.6	108.1	T209 F210 Y211	T209-R222 HydrophobicContact CG2-CG 3.59Å; F210-R222 CarbonylContact O-C 3.56Å; Y211-R222 HydrophobicContact CD1-CB 4.23Å; Y211-R222 HydrophobicContact CE1-CB 4.1Å; Y211-R222 HydrophobicContact CE1-CG 4.37Å
223	K	92.4	Very high	92.7	Very high	95 Å²	95	68.5 Å²	68.5	41%	0.413	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-43.9	-174	-170	-179.3	-164.1	145.2	0	111.9	M181 F210 E212 V221	M181-K223 HydrophobicContact CE-CD 3.98Å; M181-K223 HydrophobicContact SD-CD 3.7Å; F210-K223 PolarHBondContact O-N 2.76Å; E212-K223 HydrophobicContact CB-CB 4.15Å; E212-K223 HydrophobicContact CB-CD 4.17Å; E212-K223 IonicContact OE1-NZ 3.21Å; E212-K223 PolarHBondContact OE1-NZ 3.48Å; E212-K223 WeakPolarHBondContact OE2-CD 3.38Å; E212-K223 WeakPolarHBondContact OE2-CE 3.35Å; E212-K223 IonicContact OE2-NZ 3.08Å; E212-K223 PolarHBondContact OE2-NZ 2.91Å; V221-K223 PolarHBondContact O-N 3.44Å; V221-K223 VanDerWaalsContact O-N 3.17Å
224	Y	91	Very high	92.5	Very high	108 Å²	108	70 Å²	70	42%	0.424	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	149.1	-173.7	-172.6	-108.6	0	0	0	110.6	F210 E226	F210-Y224 AromaticContact CD2-CD1 3.87Å; F210-Y224 HydrophobicContact CD2-CD1 3.87Å; F210-Y224 HydrophobicContact CE2-CD1 4.15Å; F210-Y224 PolarHBondContact N-O 3.02Å; F210-Y224 PolarHBondContact O-N 3.35Å; Y224-E226 HydrophobicContact CE1-CB 3.77Å; Y224-E226 VanDerWaalsContact CE1-OE2 3.26Å; Y224-E226 WeakPolarHBondContact CE1-OE2 3.4Å; Y224-E226 VanDerWaalsContact CZ-OE2 3.3Å; Y224-E226 VanDerWaalsContact OH-CD 3.3Å; Y224-E226 PolarHBondContact OH-OE2 3.18Å
225	S	93.4	Very high	92.6	Very high	46 Å²	46	68 Å²	68	32%	0.322	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	134.9	174.8	-164	0	0	0	0	109.9	L208 T209	L208-S225 WeakPolarHBondContact O-CA 3.46Å; T209-S225 PolarHBondContact OG1-OG 3.07Å
226	E	92.3	Very high	93	Very high	52 Å²	52	64.7 Å²	64.7	24%	0.243	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	141.2	-175.8	-168.3	-177.8	156.9	0	0	111.1	T207 L208 Y224 K259	T207-E226 CarbonylContact C-O 3.47Å; T207-E226 WeakPolarHBondContact CA-O 3.45Å; T207-E226 WeakPolarHBondContact CB-O 3.5Å; L208-E226 PolarHBondContact N-O 2.83Å; L208-E226 PolarHBondContact O-N 3.01Å; Y224-E226 HydrophobicContact CE1-CB 3.77Å; Y224-E226 VanDerWaalsContact CE1-OE2 3.26Å; Y224-E226 WeakPolarHBondContact CE1-OE2 3.4Å; Y224-E226 VanDerWaalsContact CZ-OE2 3.3Å; Y224-E226 VanDerWaalsContact OH-CD 3.3Å; Y224-E226 PolarHBondContact OH-OE2 3.18Å; E226-K259 IonicContact OE1-NZ 3.25Å; E226-K259 PolarHBondContact OE1-NZ 2.74Å; E226-K259 WeakPolarHBondContact OE2-CE 3.32Å; E226-K259 IonicContact OE2-NZ 2.63Å; E226-K259 PolarHBondContact OE2-NZ 3.28Å
227	P	93.9	Very high	93.4	Very high	67 Å²	67	63.1 Å²	63.1	44%	0.435	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	146.1	171.9	28.6	-35.2	0	0	0	111.8	Q205	Q205-P227 HydrophobicContact CB-CB 4.21Å; Q205-P227 VanDerWaalsContact OE1-CB 3.3Å
228	L	93.3	Very high	93.8	Very high	19 Å²	19	56.9 Å²	56.9	10%	0.099	28%	0.276	C	S	.	.			trans	-95	146	174.2	-62.7	177.1	0	0	0	110.7	L185 Q206 L208 E230 I250	L185-L228 HydrophobicContact CD2-CD1 3.55Å; Q206-L228 HydrophobicContact CG-CD1 4.47Å; Q206-L228 PolarHBondContact O-N 3.02Å; L208-L228 HydrophobicContact CB-CD2 3.97Å; L208-L228 HydrophobicContact CB-CG 4.41Å; L228-E230 WeakPolarHBondContact CB-O 3.46Å; L228-I250 HydrophobicContact CD1-CG2 4.27Å; L228-I250 HydrophobicContact CD2-CD1 3.78Å
229	E	88.1	Confident	94.1	Very high	158 Å²	158	53.1 Å²	53.1	74%	0.738	26%	0.256	S	S	*	.	S	Bend	trans	-68.6	-47	173.7	-65.4	-172.5	176.1	0	0	110.8	R268	E229-R268 IonicContact OE2-CZ 3.45Å; E229-R268 IonicContact OE2-NH1 2.78Å; E229-R268 PolarHBondContact OE2-NH1 2.99Å; E229-R268 IonicContact OE2-NH2 3.46Å
230	E	89.3	Confident	94	Very high	44 Å²	44	48.4 Å²	48.4	21%	0.206	24%	0.235	C	C	.	.	S	Bend	trans	-114.6	155.5	175.7	-49	83.9	177.4	0	0	112.1	L228 G232 Y255 R268	L228-E230 WeakPolarHBondContact CB-O 3.46Å; E230-G232 PolarHBondContact O-N 3.29Å; E230-G232 VanDerWaalsContact O-N 3.15Å; E230-Y255 HydrophobicContact CG-CD2 4.16Å; E230-R268 IonicContact OE1-CZ 2.8Å; E230-R268 IonicContact OE1-NH1 2.71Å; E230-R268 PolarHBondContact OE1-NH1 3.39Å
231	H	90.6	Very high	93.6	Very high	89 Å²	89	50.4 Å²	50.4	41%	0.412	26%	0.256	S	S	.	.			trans	-71.1	111.2	178.2	-174	-74.9	0	0	0	110.9	Y168 Q206	Y168-H231 AromaticContact CD1-CE1 3.8Å; Y168-H231 AromaticContact CD1-NE2 3.9Å; Y168-H231 AromaticContact CE1-CE1 3.75Å; Y168-H231 AromaticContact CE1-NE2 3.47Å; Y168-H231 WeakPolarHBondContact CE1-NE2 3.31Å; Y168-H231 AromaticContact CZ-NE2 3.8Å; Q206-H231 PolarHBondContact NE2-CE1 2.59Å; Q206-H231 PolarHBondContact NE2-NE2 2.85Å
232	G	95.4	Very high	93.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	136.9	173	0	0	0	0	0	111.9	Q206 E230 C251 S252	Q206-G232 PolarHBondContact NE2-O 2.9Å; Q206-G232 PolarHBondContact OE1-O 2.99Å; E230-G232 PolarHBondContact O-N 3.29Å; E230-G232 VanDerWaalsContact O-N 3.15Å; G232-C251 CarbonylContact C-O 3.57Å; G232-C251 WeakPolarHBondContact CA-O 3.45Å; G232-S252 WeakPolarHBondContact CA-OG 3.46Å
233	N	96.3	Very high	93.2	Very high	48 Å²	48	49.1 Å²	49.1	26%	0.257	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-21.8	174.5	69.5	-76.6	0	0	0	112.9	C251 F287	N233-C251 PolarHBondContact N-O 3.45Å; N233-C251 PolarHBondContact OD1-O 2.92Å; N233-F287 PolarHBondContact ND2-O 2.86Å
234	F	93.1	Very high	93.2	Very high	30 Å²	30	45.7 Å²	45.7	13%	0.132	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	144.5	-168.4	176.8	-110.4	0	0	0	111.1	H169 I236 C251 S290	H169-F234 AromaticContact CD2-CD2 4Å; H169-F234 AromaticContact CE1-CD2 3.82Å; H169-F234 AromaticContact CE1-CE2 3.95Å; H169-F234 AromaticContact NE2-CD2 3.49Å; H169-F234 WeakPolarHBondContact NE2-CD2 3.49Å; H169-F234 AromaticContact NE2-CE2 3.7Å; F234-I236 HydrophobicContact CD1-CD1 4.49Å; F234-I236 HydrophobicContact CD1-CG1 4.01Å; F234-I236 HydrophobicContact CE1-CD1 3.89Å; F234-I236 HydrophobicContact CE1-CG1 3.41Å; F234-I236 VanDerWaalsContact CE1-CG1 3.41Å; F234-I236 HydrophobicContact CZ-CG1 4.16Å; F234-C251 HydrophobicContact CB-CB 4.07Å; F234-C251 HydrophobicContact CD1-CB 4.1Å; F234-C251 PolarHBondContact N-O 3.05Å; F234-C251 PolarHBondContact O-N 3.36Å; F234-S290 VanDerWaalsContact CE1-OG 3.3Å; F234-S290 WeakPolarHBondContact CE1-OG 3.31Å; F234-S290 WeakPolarHBondContact CZ-OG 3.5Å
235	L	97.9	Very high	93.4	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.3	177.3	-62.5	174.2	0	0	0	110.6	H169 V171 A183 L185 L208 L249 I250	H169-L235 PolarHBondContact CE1-O 3.02Å; H169-L235 PolarHBondContact ND1-N 2.88Å; V171-L235 HydrophobicContact CB-CB 4.47Å; V171-L235 HydrophobicContact CG1-CB 3.85Å; V171-L235 WeakPolarHBondContact CG1-O 3.42Å; V171-L235 HydrophobicContact CG2-CB 3.76Å; V171-L235 HydrophobicContact CG2-CD1 3.88Å; V171-L235 HydrophobicContact CG2-CG 4.49Å; A183-L235 HydrophobicContact CB-CD1 4.15Å; L185-L235 HydrophobicContact CD1-CD2 4.15Å; L185-L235 HydrophobicContact CD1-CG 3.98Å; L185-L235 HydrophobicContact CD2-CD1 4.49Å; L185-L235 HydrophobicContact CD2-CD2 3.9Å; L185-L235 HydrophobicContact CD2-CG 4.33Å; L185-L235 HydrophobicContact CG-CD1 3.94Å; L185-L235 HydrophobicContact CG-CD2 3.93Å; L185-L235 HydrophobicContact CG-CG 3.81Å; L208-L235 HydrophobicContact CD1-CD1 4.01Å; L208-L235 HydrophobicContact CD1-CD2 4.04Å; L235-L249 CarbonylContact C-O 3.53Å; L235-L249 WeakPolarHBondContact CA-O 3.14Å; L235-I250 HydrophobicContact CD2-CB 4.21Å; L235-I250 HydrophobicContact CD2-CG1 3.93Å; L235-I250 HydrophobicContact CD2-CG2 4.14Å
236	I	97.9	Very high	93.4	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.5	173.2	-47.6	175.9	0	0	0	108.7	F234 V248 L249 F301 A303	F234-I236 HydrophobicContact CD1-CD1 4.49Å; F234-I236 HydrophobicContact CD1-CG1 4.01Å; F234-I236 HydrophobicContact CE1-CD1 3.89Å; F234-I236 HydrophobicContact CE1-CG1 3.41Å; F234-I236 VanDerWaalsContact CE1-CG1 3.41Å; F234-I236 HydrophobicContact CZ-CG1 4.16Å; I236-V248 CarbonylContact O-C 3.55Å; I236-V248 VanDerWaalsContact O-CA 3.3Å; I236-V248 WeakPolarHBondContact O-CA 3.3Å; I236-L249 HydrophobicContact CB-CB 4.11Å; I236-L249 HydrophobicContact CB-CD1 4.46Å; I236-L249 HydrophobicContact CD1-CD1 4.43Å; I236-L249 PolarHBondContact N-O 2.89Å; I236-L249 PolarHBondContact O-N 2.74Å; I236-F301 HydrophobicContact CG2-CD1 3.52Å; I236-F301 HydrophobicContact CG2-CE1 3.82Å; I236-F301 HydrophobicContact CG2-CG 4.32Å; I236-A303 HydrophobicContact CD1-CB 4.47Å
237	T	97.3	Very high	93.5	Very high	39 Å²	39	37.2 Å²	37.2	24%	0.239	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	131.1	173.1	-176.6	0	0	0	0	110.6	G172 F301	G172-T237 VanDerWaalsContact O-CB 3.32Å; G172-T237 WeakPolarHBondContact O-CB 3.43Å; G172-T237 PolarHBondContact O-OG1 2.92Å; G172-T237 VanDerWaalsContact O-OG1 3.06Å; T237-F301 WeakPolarHBondContact O-CE1 3.26Å
238	V	97.3	Very high	93.7	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-88.4	134.9	170.8	-179.7	0	0	0	0	108.6	P245 S246 G247 L249 Y258 F299 F301 L315	V238-P245 HydrophobicContact CG1-CG 3.99Å; V238-S246 WeakPolarHBondContact CB-O 3.04Å; V238-S246 VanDerWaalsContact CG1-O 3.29Å; V238-S246 WeakPolarHBondContact CG1-O 3.41Å; V238-G247 WeakPolarHBondContact CB-O 3.31Å; V238-G247 PolarHBondContact N-O 3.15Å; V238-L249 HydrophobicContact CG2-CG 4.05Å; V238-Y258 HydrophobicContact CG1-CE2 4.41Å; V238-Y258 HydrophobicContact CG2-CD2 4.1Å; V238-Y258 HydrophobicContact CG2-CE2 4.06Å; V238-F299 HydrophobicContact CG1-CE2 4.19Å; V238-F299 HydrophobicContact CG1-CZ 4.3Å; V238-F301 HydrophobicContact CB-CZ 4.36Å; V238-F301 HydrophobicContact CG1-CZ 4.33Å; V238-F301 HydrophobicContact CG2-CZ 4.05Å; V238-L315 HydrophobicContact CG1-CD1 3.74Å; V238-L315 HydrophobicContact CG2-CD1 4Å
239	P	95.9	Very high	93.9	Very high	7 Å²	7	33.1 Å²	33.1	5%	0.045	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-56.2	145	175.1	-27.1	36.9	0	0	0	112.3	D243 G244 S246 T292 K294 F299	P239-D243 HydrophobicContact CB-CB 4.26Å; P239-G244 CarbonylContact O-C 3.59Å; P239-G244 VanDerWaalsContact O-CA 3.26Å; P239-G244 WeakPolarHBondContact O-CA 3.42Å; P239-S246 WeakPolarHBondContact O-CA 3.38Å; P239-S246 PolarHBondContact O-N 3.22Å; P239-T292 HydrophobicContact CG-CG2 4.4Å; P239-K294 HydrophobicContact CB-CD 4.37Å; P239-K294 HydrophobicContact CG-CD 4.39Å; P239-F299 HydrophobicContact CB-CD1 4.33Å; P239-F299 HydrophobicContact CB-CG 4.38Å; P239-F299 HydrophobicContact CG-CB 3.99Å; P239-F299 HydrophobicContact CG-CD1 4.18Å; P239-F299 HydrophobicContact CG-CD2 3.87Å; P239-F299 HydrophobicContact CG-CE2 4.43Å; P239-F299 HydrophobicContact CG-CG 3.74Å
240	G	93.5	Very high	94.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.161	C	C	.	.			trans	-147.9	178.9	-178.2	0	0	0	0	0	115.4	D174 G244	D174-G240 VanDerWaalsContact CG-N 3.28Å; D174-G240 WeakPolarHBondContact O-CA 3.4Å; D174-G240 PolarHBondContact OD2-N 3.09Å; D174-G240 VanDerWaalsContact OD2-N 3.09Å; G240-G244 WeakPolarHBondContact CA-O 3.16Å
241	G	89.2	Confident	94.8	Very high	48 Å²	48	23.6 Å²	23.6	50%	0.495	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	71.6	-132.1	-164.6	0	0	0	0	0	110.7	D243	G241-D243 PolarHBondContact O-N 2.83Å
242	S	88.9	Confident	95	Very high	122 Å²	122	19.5 Å²	19.5	85%	0.853	13%	0.133	S	C	*	.	G	3₁₀ helix	trans	-68.9	-3.4	177.1	59.9	0	0	0	0	114.6
243	D	90.3	Very high	95	Very high	54 Å²	54	24.3 Å²	24.3	29%	0.289	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-107.3	-9.6	-168.1	-63.3	-49.8	0	0	0	113.7	K126 P239 G241 K294	K126-D243 IonicContact NZ-OD2 2.83Å; K126-D243 PolarHBondContact NZ-OD2 3.06Å; P239-D243 HydrophobicContact CB-CB 4.26Å; G241-D243 PolarHBondContact O-N 2.83Å; D243-K294 WeakPolarHBondContact OD1-CE 3.17Å; D243-K294 IonicContact OD1-NZ 3.97Å; D243-K294 PolarHBondContact OD1-NZ 2.85Å; D243-K294 IonicContact OD2-NZ 3.83Å; D243-K294 PolarHBondContact OD2-NZ 2.87Å
244	G	92.6	Very high	94.9	Very high	22 Å²	22	24.3 Å²	24.3	23%	0.227	16%	0.155	C	C	.	.	S	Bend	trans	164.3	-174.5	-176.5	0	0	0	0	0	113.1	P239 G240 S246	P239-G244 CarbonylContact O-C 3.59Å; P239-G244 VanDerWaalsContact O-CA 3.26Å; P239-G244 WeakPolarHBondContact O-CA 3.42Å; G240-G244 WeakPolarHBondContact CA-O 3.16Å; G244-S246 VanDerWaalsContact C-N 3.33Å; G244-S246 PolarHBondContact O-N 2.86Å
245	P	94	Very high	95	Very high	15 Å²	15	25 Å²	25	10%	0.097	16%	0.157	C	C	.	.			trans	-81.1	-2.2	-172.5	32.4	-36.1	0	0	0	115.1	V238 N260 F299 T317 D320 V322	V238-P245 HydrophobicContact CG1-CG 3.99Å; P245-N260 PolarHBondContact O-ND2 2.81Å; P245-F299 HydrophobicContact CG-CZ 4.4Å; P245-T317 HydrophobicContact CB-CG2 4.22Å; P245-T317 HydrophobicContact CG-CG2 3.97Å; P245-D320 WeakPolarHBondContact CB-O 3.28Å; P245-V322 HydrophobicContact CB-CG2 3.84Å; P245-V322 HydrophobicContact CG-CG2 3.47Å; P245-V322 VanDerWaalsContact CG-CG2 3.47Å
246	S	94.3	Very high	95	Very high	14 Å²	14	24.9 Å²	24.9	10%	0.098	16%	0.157	C	C	.	.			trans	65.3	-171	-169.6	-168.3	0	0	0	0	112.5	D174 V238 P239 G244 Y258	D174-S246 WeakPolarHBondContact O-CB 3.38Å; D174-S246 PolarHBondContact O-OG 2.79Å; D174-S246 VanDerWaalsContact O-OG 3.05Å; V238-S246 WeakPolarHBondContact CB-O 3.04Å; V238-S246 VanDerWaalsContact CG1-O 3.29Å; V238-S246 WeakPolarHBondContact CG1-O 3.41Å; P239-S246 WeakPolarHBondContact O-CA 3.38Å; P239-S246 PolarHBondContact O-N 3.22Å; G244-S246 VanDerWaalsContact C-N 3.33Å; G244-S246 PolarHBondContact O-N 2.86Å; S246-Y258 WeakPolarHBondContact O-CE2 3.48Å; S246-Y258 PolarHBondContact O-OH 2.83Å
247	G	95.1	Very high	94.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.16	C	C	.	.			trans	95.6	-168.2	-179.9	0	0	0	0	0	114	V238 K259 N260	V238-G247 WeakPolarHBondContact CB-O 3.31Å; V238-G247 PolarHBondContact N-O 3.15Å; G247-K259 CarbonylContact C-O 3.45Å; G247-K259 WeakPolarHBondContact CA-O 3.43Å; G247-N260 WeakPolarHBondContact CA-OD1 3.37Å; G247-N260 PolarHBondContact N-OD1 2.85Å
248	V	97	Very high	94.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	147.8	-179.2	-64.1	0	0	0	0	111	V171 V173 A183 L208 F210 I236 I250 K259	V171-V248 HydrophobicContact CG2-CG1 4.03Å; V173-V248 HydrophobicContact CG2-CG1 4.05Å; A183-V248 HydrophobicContact CB-CG1 4.03Å; L208-V248 HydrophobicContact CD2-CG2 3.99Å; F210-V248 HydrophobicContact CE1-CG1 4.48Å; F210-V248 HydrophobicContact CE1-CG2 4.42Å; F210-V248 HydrophobicContact CZ-CG2 4.11Å; I236-V248 CarbonylContact O-C 3.55Å; I236-V248 VanDerWaalsContact O-CA 3.3Å; I236-V248 WeakPolarHBondContact O-CA 3.3Å; V248-I250 HydrophobicContact CG2-CG1 4.35Å; V248-K259 HydrophobicContact CG2-CB 4.34Å; V248-K259 PolarHBondContact N-O 2.9Å; V248-K259 PolarHBondContact O-N 3.06Å
249	L	98	Very high	94.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.7	161.8	-61	163	0	0	0	108.6	L235 I236 V238 I256 T257 Y258 F301 I313 L315 I325	L235-L249 CarbonylContact C-O 3.53Å; L235-L249 WeakPolarHBondContact CA-O 3.14Å; I236-L249 HydrophobicContact CB-CB 4.11Å; I236-L249 HydrophobicContact CB-CD1 4.46Å; I236-L249 HydrophobicContact CD1-CD1 4.43Å; I236-L249 PolarHBondContact N-O 2.89Å; I236-L249 PolarHBondContact O-N 2.74Å; V238-L249 HydrophobicContact CG2-CG 4.05Å; L249-I256 HydrophobicContact CB-CD1 4.03Å; L249-I256 HydrophobicContact CB-CG1 4.16Å; L249-I256 HydrophobicContact CD1-CD1 4.11Å; L249-I256 HydrophobicContact CD2-CD1 4.2Å; L249-I256 HydrophobicContact CD2-CG1 4.28Å; L249-I256 HydrophobicContact CG-CD1 4.35Å; L249-T257 CarbonylContact C-O 3.56Å; L249-T257 WeakPolarHBondContact CA-O 3.12Å; L249-Y258 HydrophobicContact CD2-CD2 4.24Å; L249-F301 HydrophobicContact CD1-CD2 3.72Å; L249-F301 HydrophobicContact CD1-CE2 3.75Å; L249-F301 HydrophobicContact CD1-CG 4.19Å; L249-F301 HydrophobicContact CD1-CZ 4.23Å; L249-I313 HydrophobicContact CD1-CG2 4.44Å; L249-L315 HydrophobicContact CD2-CD2 4.15Å; L249-I325 HydrophobicContact CD2-CD1 4.14Å
250	I	97.8	Very high	94.5	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.3	177.1	-48.2	168.5	0	0	0	106.6	L185 L208 L228 L235 V248 I256 T257 K259	L185-I250 HydrophobicContact CD2-CG2 4.39Å; L208-I250 HydrophobicContact CD2-CD1 3.82Å; L208-I250 HydrophobicContact CD2-CG1 4.37Å; L228-I250 HydrophobicContact CD1-CG2 4.27Å; L228-I250 HydrophobicContact CD2-CD1 3.78Å; L235-I250 HydrophobicContact CD2-CB 4.21Å; L235-I250 HydrophobicContact CD2-CG1 3.93Å; L235-I250 HydrophobicContact CD2-CG2 4.14Å; V248-I250 HydrophobicContact CG2-CG1 4.35Å; I250-I256 WeakPolarHBondContact O-CA 2.99Å; I250-T257 PolarHBondContact N-O 3.15Å; I250-T257 PolarHBondContact O-N 3.06Å; I250-K259 HydrophobicContact CD1-CB 3.99Å; I250-K259 HydrophobicContact CD1-CD 4.02Å
251	C	98	Very high	93.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116.1	172.5	-62.2	0	0	0	0	108.2	G232 N233 F234 F287	G232-C251 CarbonylContact C-O 3.57Å; G232-C251 WeakPolarHBondContact CA-O 3.45Å; N233-C251 PolarHBondContact N-O 3.45Å; N233-C251 PolarHBondContact OD1-O 2.92Å; F234-C251 HydrophobicContact CB-CB 4.07Å; F234-C251 HydrophobicContact CD1-CB 4.1Å; F234-C251 PolarHBondContact N-O 3.05Å; F234-C251 PolarHBondContact O-N 3.36Å; C251-F287 HydrophobicContact CB-CB 4.02Å; C251-F287 HydrophobicContact CB-CD2 4.44Å
252	S	96.2	Very high	93.1	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.014	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	173.3	179	-59.3	0	0	0	0	109.9	G232 N254 Y255	G232-S252 WeakPolarHBondContact CA-OG 3.46Å; S252-N254 PolarHBondContact O-N 2.65Å; S252-Y255 CarbonylContact C-O 3.53Å; S252-Y255 PolarHBondContact N-O 3.38Å; S252-Y255 PolarHBondContact O-N 2.74Å
253	E	93.9	Very high	92.5	Very high	102 Å²	102	30.8 Å²	30.8	48%	0.477	18%	0.179	S	C	.	.	S	Bend	trans	-59.4	124.3	172	-168.7	173.2	-176	0	0	110.6	Y255 G284 I286	E253-Y255 WeakPolarHBondContact O-CD2 3.23Å; E253-Y255 PolarHBondContact O-N 2.72Å; E253-G284 VanDerWaalsContact OE1-CA 3.31Å; E253-G284 WeakPolarHBondContact OE1-CA 2.99Å; E253-I286 HydrophobicContact CB-CG2 4.24Å
254	N	94.5	Very high	92.3	Very high	48 Å²	48	29.5 Å²	29.5	26%	0.257	17%	0.172	S	C	.	.	S	Bend	trans	64.5	-8.3	-178.6	-55.9	-45.4	0	0	0	117.1	S252 P270 I271 R273 G284 M285	S252-N254 PolarHBondContact O-N 2.65Å; N254-P270 CarbonylContact O-C 3.52Å; N254-P270 WeakPolarHBondContact O-CA 3.35Å; N254-I271 PolarHBondContact O-N 3.28Å; N254-R273 PolarHBondContact OD1-NH2 3.18Å; N254-G284 WeakPolarHBondContact OD1-CA 3.34Å; N254-M285 PolarHBondContact N-O 3.18Å; N254-M285 PolarHBondContact OD1-N 2.95Å
255	Y	95.6	Very high	92.1	Very high	44 Å²	44	33.1 Å²	33.1	17%	0.173	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.6	-173.5	-63.1	-80.9	0	0	0	113.2	E230 S252 E253 R268 C269 P270	E230-Y255 HydrophobicContact CG-CD2 4.16Å; S252-Y255 CarbonylContact C-O 3.53Å; S252-Y255 PolarHBondContact N-O 3.38Å; S252-Y255 PolarHBondContact O-N 2.74Å; E253-Y255 WeakPolarHBondContact O-CD2 3.23Å; E253-Y255 PolarHBondContact O-N 2.72Å; Y255-R268 HydrophobicContact CD1-CG 3.71Å; Y255-R268 HydrophobicContact CG-CG 4.13Å; Y255-C269 WeakPolarHBondContact CA-O 3.4Å; Y255-P270 HydrophobicContact CD1-CB 4.29Å; Y255-P270 HydrophobicContact CD1-CG 4.25Å; Y255-P270 HydrophobicContact CE1-CB 4.15Å; Y255-P270 HydrophobicContact CE1-CG 3.9Å
256	I	97	Very high	92.1	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.1	161.9	-170.2	172.8	0	0	0	109.6	L249 I250 R268 C269 F287 I313 I325 L327	L249-I256 HydrophobicContact CB-CD1 4.03Å; L249-I256 HydrophobicContact CB-CG1 4.16Å; L249-I256 HydrophobicContact CD1-CD1 4.11Å; L249-I256 HydrophobicContact CD2-CD1 4.2Å; L249-I256 HydrophobicContact CD2-CG1 4.28Å; L249-I256 HydrophobicContact CG-CD1 4.35Å; I250-I256 WeakPolarHBondContact O-CA 2.99Å; I256-R268 WeakPolarHBondContact O-CA 3.34Å; I256-C269 HydrophobicContact CG2-CB 3.98Å; I256-C269 PolarHBondContact N-O 2.97Å; I256-C269 PolarHBondContact O-N 2.85Å; I256-F287 HydrophobicContact CB-CE2 4.3Å; I256-F287 HydrophobicContact CD1-CE2 4.35Å; I256-I313 HydrophobicContact CD1-CD1 3.44Å; I256-I313 VanDerWaalsContact CD1-CD1 3.44Å; I256-I325 HydrophobicContact CG2-CG2 4.31Å; I256-L327 HydrophobicContact CG2-CD1 4.11Å; I256-L327 HydrophobicContact CG2-CD2 4.35Å
257	T	96.7	Very high	92.2	Very high	13 Å²	13	36.2 Å²	36.2	8%	0.08	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.7	-176.2	-55.9	0	0	0	0	110.6	L249 I250 D266 I267	L249-T257 CarbonylContact C-O 3.56Å; L249-T257 WeakPolarHBondContact CA-O 3.12Å; I250-T257 PolarHBondContact N-O 3.15Å; I250-T257 PolarHBondContact O-N 3.06Å; T257-D266 HydrophobicContact CG2-CB 4.04Å; T257-I267 CarbonylContact C-O 3.49Å; T257-I267 VanDerWaalsContact CA-O 3.32Å; T257-I267 WeakPolarHBondContact CA-O 3.14Å
258	Y	97.1	Very high	92.1	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133.2	168.9	170.2	-92.8	0	0	0	109.8	V238 S246 L249 N260 Q264 I267 L315 V322	V238-Y258 HydrophobicContact CG1-CE2 4.41Å; V238-Y258 HydrophobicContact CG2-CD2 4.1Å; V238-Y258 HydrophobicContact CG2-CE2 4.06Å; S246-Y258 WeakPolarHBondContact O-CE2 3.48Å; S246-Y258 PolarHBondContact O-OH 2.83Å; L249-Y258 HydrophobicContact CD2-CD2 4.24Å; Y258-N260 HydrophobicContact CE1-CB 3.89Å; Y258-N260 WeakPolarHBondContact OH-CB 3.49Å; Y258-N260 PolarHBondContact OH-ND2 2.92Å; Y258-N260 VanDerWaalsContact OH-ND2 3.13Å; Y258-Q264 VanDerWaalsContact CE1-NE2 3.35Å; Y258-Q264 PolarHBondContact OH-OE1 3.21Å; Y258-I267 HydrophobicContact CD1-CD1 4.49Å; Y258-I267 PolarHBondContact N-O 3.45Å; Y258-I267 PolarHBondContact O-N 3.45Å; Y258-L315 HydrophobicContact CD2-CD1 4.02Å; Y258-L315 HydrophobicContact CE2-CD1 4.19Å; Y258-V322 HydrophobicContact CD1-CB 3.94Å; Y258-V322 HydrophobicContact CD1-CG1 4.09Å; Y258-V322 HydrophobicContact CD1-CG2 4.37Å; Y258-V322 HydrophobicContact CD2-CG2 4.3Å; Y258-V322 HydrophobicContact CE1-CB 3.61Å; Y258-V322 HydrophobicContact CE1-CG1 4.27Å; Y258-V322 HydrophobicContact CE1-CG2 3.8Å; Y258-V322 HydrophobicContact CE2-CB 4.3Å; Y258-V322 HydrophobicContact CE2-CG2 3.68Å; Y258-V322 HydrophobicContact CG-CB 4.42Å; Y258-V322 HydrophobicContact CG-CG1 4.22Å; Y258-V322 WeakPolarHBondContact OH-CG2 3.16Å
259	K	94.5	Very high	92	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	133.1	178.6	-169	148.5	-167.3	128.7	0	111	L208 E226 G247 V248 I250 D266	L208-K259 HydrophobicContact CD2-CB 4.35Å; L208-K259 HydrophobicContact CD2-CD 3.76Å; L208-K259 HydrophobicContact CD2-CG 4.09Å; E226-K259 IonicContact OE1-NZ 3.25Å; E226-K259 PolarHBondContact OE1-NZ 2.74Å; E226-K259 WeakPolarHBondContact OE2-CE 3.32Å; E226-K259 IonicContact OE2-NZ 2.63Å; E226-K259 PolarHBondContact OE2-NZ 3.28Å; G247-K259 CarbonylContact C-O 3.45Å; G247-K259 WeakPolarHBondContact CA-O 3.43Å; V248-K259 HydrophobicContact CG2-CB 4.34Å; V248-K259 PolarHBondContact N-O 2.9Å; V248-K259 PolarHBondContact O-N 3.06Å; I250-K259 HydrophobicContact CD1-CB 3.99Å; I250-K259 HydrophobicContact CD1-CD 4.02Å; K259-D266 WeakPolarHBondContact CD-OD1 3.37Å; K259-D266 WeakPolarHBondContact CE-OD1 3.25Å; K259-D266 WeakPolarHBondContact CG-OD1 3.49Å; K259-D266 VanDerWaalsContact NZ-CG 3.32Å; K259-D266 IonicContact NZ-OD1 2.98Å; K259-D266 PolarHBondContact NZ-OD1 3.38Å; K259-D266 VanDerWaalsContact NZ-OD1 3.14Å; K259-D266 IonicContact NZ-OD2 4Å; K259-D266 PolarHBondContact NZ-OD2 2.85Å
260	N	90	Very high	91.9	Very high	29 Å²	29	42 Å²	42	16%	0.155	23%	0.23	C	C	.	.			trans	-133.1	173.4	177.5	-158.1	7.5	0	0	0	111.3	P245 G247 Y258	P245-N260 PolarHBondContact O-ND2 2.81Å; G247-N260 WeakPolarHBondContact CA-OD1 3.37Å; G247-N260 PolarHBondContact N-OD1 2.85Å; Y258-N260 HydrophobicContact CE1-CB 3.89Å; Y258-N260 WeakPolarHBondContact OH-CB 3.49Å; Y258-N260 PolarHBondContact OH-ND2 2.92Å; Y258-N260 VanDerWaalsContact OH-ND2 3.13Å
261	F	78.2	Confident	91.8	Very high	53 Å²	53	42 Å²	42	23%	0.232	23%	0.229	C	C	.	.	S	Bend	trans	-73.5	151.8	174	-57.7	-78.6	0	0	0	112	V173 V175 M181 F210	V173-F261 HydrophobicContact CG1-CE2 3.91Å; V173-F261 HydrophobicContact CG1-CZ 4.48Å; V175-F261 HydrophobicContact CG1-CE2 4.13Å; M181-F261 HydrophobicContact CE-CD1 4.19Å; M181-F261 HydrophobicContact CE-CD2 4.07Å; M181-F261 HydrophobicContact CE-CE1 3.6Å; M181-F261 HydrophobicContact CE-CE2 3.46Å; M181-F261 VanDerWaalsContact CE-CE2 3.46Å; M181-F261 HydrophobicContact CE-CG 4.4Å; M181-F261 HydrophobicContact CE-CZ 3.21Å; M181-F261 HydrophobicContact CG-CE1 4.35Å; M181-F261 HydrophobicContact CG-CE2 4.37Å; M181-F261 HydrophobicContact CG-CZ 3.62Å; M181-F261 HydrophobicContact SD-CD1 4.37Å; M181-F261 HydrophobicContact SD-CE1 3.34Å; M181-F261 WeakPolarHBondContact SD-CE1 3.5Å; M181-F261 HydrophobicContact SD-CE2 4.02Å; M181-F261 HydrophobicContact SD-CZ 3.14Å; M181-F261 WeakPolarHBondContact SD-CZ 3.45Å; F210-F261 HydrophobicContact CB-CE1 3.74Å; F210-F261 HydrophobicContact CB-CZ 4.16Å; F210-F261 AromaticContact CD1-CE1 3.46Å; F210-F261 HydrophobicContact CD1-CE1 3.46Å; F210-F261 VanDerWaalsContact CD1-CE1 3.46Å; F210-F261 HydrophobicContact CD1-CE2 4.26Å; F210-F261 AromaticContact CD1-CZ 3.17Å; F210-F261 HydrophobicContact CD1-CZ 3.17Å; F210-F261 AromaticContact CD2-CE1 3.94Å; F210-F261 HydrophobicContact CD2-CE1 3.94Å; F210-F261 HydrophobicContact CD2-CZ 4.45Å; F210-F261 AromaticContact CE1-CE1 3.88Å; F210-F261 HydrophobicContact CE1-CE1 3.88Å; F210-F261 HydrophobicContact CE1-CE2 4.16Å; F210-F261 AromaticContact CE1-CZ 3.44Å; F210-F261 HydrophobicContact CE1-CZ 3.44Å; F210-F261 VanDerWaalsContact CE1-CZ 3.44Å; F210-F261 HydrophobicContact CE2-CE1 4.33Å; F210-F261 AromaticContact CG-CE1 3.44Å; F210-F261 HydrophobicContact CG-CE1 3.44Å; F210-F261 VanDerWaalsContact CG-CE1 3.44Å; F210-F261 AromaticContact CG-CZ 3.7Å; F210-F261 HydrophobicContact CG-CZ 3.7Å; F210-F261 HydrophobicContact CZ-CE1 4.27Å; F210-F261 HydrophobicContact CZ-CZ 4.19Å
262	G	75.5	Confident	91.7	Very high	67 Å²	67	42.1 Å²	42.1	69%	0.691	23%	0.23	S	C	*	.	S	Bend	trans	93.9	-161.8	175.5	0	0	0	0	0	112.6	Q264	G262-Q264 PolarHBondContact O-N 3.02Å
263	D	76	Confident	91.6	Very high	175 Å²	175	44.7 Å²	44.7	94%	0.936	24%	0.24	S	C	*	.	S	Bend	trans	-87.1	17.7	-175.7	-59.1	-40.5	0	0	0	112.8
264	Q	86.2	Confident	91.6	Very high	27 Å²	27	40.9 Å²	40.9	13%	0.126	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-72.6	126.9	177.6	-169.6	-175.8	-8.3	0	0	109.3	Y258 G262 V322	Y258-Q264 VanDerWaalsContact CE1-NE2 3.35Å; Y258-Q264 PolarHBondContact OH-OE1 3.21Å; G262-Q264 PolarHBondContact O-N 3.02Å; Q264-V322 PolarHBondContact NE2-O 2.64Å
265	P	89.5	Confident	91.3	Very high	98 Å²	98	45 Å²	45	64%	0.636	23%	0.233	S	C	*	.	P	Polyproline II helix	trans	-65.9	146.4	178.5	27.6	-34.6	0	0	0	111.5
266	D	93.4	Very high	90.7	Very high	75 Å²	75	45.2 Å²	45.2	40%	0.401	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-62.4	137.9	171.6	-69.8	-4.7	0	0	0	110	T257 K259	T257-D266 HydrophobicContact CG2-CB 4.04Å; K259-D266 WeakPolarHBondContact CD-OD1 3.37Å; K259-D266 WeakPolarHBondContact CE-OD1 3.25Å; K259-D266 WeakPolarHBondContact CG-OD1 3.49Å; K259-D266 VanDerWaalsContact NZ-CG 3.32Å; K259-D266 IonicContact NZ-OD1 2.98Å; K259-D266 PolarHBondContact NZ-OD1 3.38Å; K259-D266 VanDerWaalsContact NZ-OD1 3.14Å; K259-D266 IonicContact NZ-OD2 4Å; K259-D266 PolarHBondContact NZ-OD2 2.85Å
267	I	95.2	Very high	90.1	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.097	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	120	176.2	-63	164.6	0	0	0	107.5	T257 Y258 V322 T323 I325 S375	T257-I267 CarbonylContact C-O 3.49Å; T257-I267 VanDerWaalsContact CA-O 3.32Å; T257-I267 WeakPolarHBondContact CA-O 3.14Å; Y258-I267 HydrophobicContact CD1-CD1 4.49Å; Y258-I267 PolarHBondContact N-O 3.45Å; Y258-I267 PolarHBondContact O-N 3.45Å; I267-V322 VanDerWaalsContact CD1-C 3.42Å; I267-V322 HydrophobicContact CD1-CB 4.19Å; I267-V322 HydrophobicContact CD1-CG1 3.8Å; I267-V322 WeakPolarHBondContact CD1-O 2.93Å; I267-T323 VanDerWaalsContact CD1-C 3.45Å; I267-I325 HydrophobicContact CB-CD1 4.4Å; I267-I325 HydrophobicContact CB-CG1 4.41Å; I267-I325 HydrophobicContact CG2-CD1 4.07Å; I267-I325 HydrophobicContact CG2-CG1 3.8Å; I267-I325 WeakPolarHBondContact O-CD1 3.19Å; I267-S375 VanDerWaalsContact CG2-OG 3.28Å; I267-S375 WeakPolarHBondContact CG2-OG 3.38Å
268	R	93.6	Very high	89.8	Confident	104 Å²	104	47.2 Å²	47.2	39%	0.392	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	139.8	-176.7	-176.3	173.2	65.7	-167.1	-11.5	110.5	E229 E230 Y255 I256 S375	E229-R268 IonicContact OE2-CZ 3.45Å; E229-R268 IonicContact OE2-NH1 2.78Å; E229-R268 PolarHBondContact OE2-NH1 2.99Å; E229-R268 IonicContact OE2-NH2 3.46Å; E230-R268 IonicContact OE1-CZ 2.8Å; E230-R268 IonicContact OE1-NH1 2.71Å; E230-R268 PolarHBondContact OE1-NH1 3.39Å; Y255-R268 HydrophobicContact CD1-CG 3.71Å; Y255-R268 HydrophobicContact CG-CG 4.13Å; I256-R268 WeakPolarHBondContact O-CA 3.34Å; R268-S375 VanDerWaalsContact O-CB 3.25Å; R268-S375 WeakPolarHBondContact O-CB 3.38Å
269	C	95.9	Very high	89.4	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.9	174.2	-160.5	0	0	0	0	110.6	Y255 I256 I325 L327	Y255-C269 WeakPolarHBondContact CA-O 3.4Å; I256-C269 HydrophobicContact CG2-CB 3.98Å; I256-C269 PolarHBondContact N-O 2.97Å; I256-C269 PolarHBondContact O-N 2.85Å; C269-I325 HydrophobicContact CB-CB 4.15Å; C269-I325 HydrophobicContact CB-CG2 4.28Å; C269-L327 HydrophobicContact CB-CD1 3.81Å; C269-L327 WeakPolarHBondContact SG-CD1 3.38Å
270	P	95.8	Very high	89	Confident	18 Å²	18	49.9 Å²	49.9	12%	0.117	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	144.4	171.4	-19.9	30.8	0	0	0	112.3	N254 Y255 P272 L379 F385	N254-P270 CarbonylContact O-C 3.52Å; N254-P270 WeakPolarHBondContact O-CA 3.35Å; Y255-P270 HydrophobicContact CD1-CB 4.29Å; Y255-P270 HydrophobicContact CD1-CG 4.25Å; Y255-P270 HydrophobicContact CE1-CB 4.15Å; Y255-P270 HydrophobicContact CE1-CG 3.9Å; P270-P272 WeakPolarHBondContact O-CD 3.32Å; P270-L379 HydrophobicContact CG-CD1 3.82Å; P270-F385 HydrophobicContact CG-CE2 4.46Å
271	I	95.7	Very high	88.6	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-76.4	119	173.3	-59.9	175.5	0	0	0	108.5	N254 M285 F287 T305 T384	N254-I271 PolarHBondContact O-N 3.28Å; I271-M285 HydrophobicContact CG2-CB 4.39Å; I271-M285 HydrophobicContact CG2-CG 3.86Å; I271-F287 HydrophobicContact CD1-CD2 3.73Å; I271-F287 HydrophobicContact CD1-CE2 3.81Å; I271-F287 HydrophobicContact CD1-CG 4.48Å; I271-F287 HydrophobicContact CG1-CD2 4.15Å; I271-F287 HydrophobicContact CG1-CE2 3.69Å; I271-F287 HydrophobicContact CG1-CZ 4.34Å; I271-F287 HydrophobicContact CG2-CE2 4.31Å; I271-F287 HydrophobicContact CG2-CZ 4.14Å; I271-T305 HydrophobicContact CG2-CG2 4.24Å; I271-T384 PolarHBondContact O-OG1 2.97Å
272	P	95.7	Very high	88.9	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.013	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-61	144.2	178.7	-21.1	31.8	0	0	0	112.2	P270 F311 L327 F373 F385 F387	P270-P272 WeakPolarHBondContact O-CD 3.32Å; P272-F311 HydrophobicContact CB-CE1 3.74Å; P272-F311 HydrophobicContact CB-CZ 3.88Å; P272-F311 HydrophobicContact CG-CD1 4.29Å; P272-F311 HydrophobicContact CG-CE1 3.66Å; P272-F311 HydrophobicContact CG-CZ 4.14Å; P272-L327 HydrophobicContact CG-CB 4.43Å; P272-F373 HydrophobicContact CB-CD2 3.88Å; P272-F373 HydrophobicContact CB-CE2 3.76Å; P272-F373 HydrophobicContact CB-CZ 4.35Å; P272-F373 HydrophobicContact CG-CB 4.34Å; P272-F373 HydrophobicContact CG-CD2 3.33Å; P272-F373 HydrophobicContact CG-CE2 3.75Å; P272-F373 HydrophobicContact CG-CG 3.95Å; P272-F385 CarbonylContact C-O 3.48Å; P272-F385 VanDerWaalsContact CA-O 3.28Å; P272-F385 WeakPolarHBondContact CA-O 3.35Å; P272-F385 HydrophobicContact CB-CB 3.97Å; P272-F385 HydrophobicContact CG-CB 4.12Å; P272-F387 HydrophobicContact CB-CD1 3.92Å
273	R	93.9	Very high	89.5	Confident	57 Å²	57	58.5 Å²	58.5	22%	0.215	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	156.6	179	-67.7	-170.7	178	-145.4	-2.5	112.1	N254 R275 R283 T384 F385 F386 F387	N254-R273 PolarHBondContact OD1-NH2 3.18Å; R273-R275 PolarHBondContact O-N 2.76Å; R273-R283 VanDerWaalsContact CZ-O 3.24Å; R273-R283 PolarHBondContact NH1-O 3.04Å; R273-R283 PolarHBondContact NH2-O 3.24Å; R273-T384 HydrophobicContact CB-CG2 4.23Å; R273-T384 HydrophobicContact CG-CG2 3.85Å; R273-F385 PolarHBondContact N-O 3.37Å; R273-F386 HydrophobicContact CB-CD1 4.2Å; R273-F386 HydrophobicContact CB-CE1 4.21Å; R273-F386 CarbonylContact O-C 3.56Å; R273-F386 WeakPolarHBondContact O-CA 3.49Å; R273-F387 VanDerWaalsContact C-CD1 3.48Å; R273-F387 WeakPolarHBondContact O-CD1 3.36Å; R273-F387 PolarHBondContact O-N 2.74Å
274	R	92.8	Very high	90.2	Very high	22 Å²	22	50.6 Å²	50.6	8%	0.083	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	133.7	173	-61	179.1	174.9	-178.2	-1.6	109.3	D277 D309 F387 P389 F852	R274-D277 HydrophobicContact CB-CB 4.1Å; R274-D309 IonicContact CZ-OD1 3.86Å; R274-D309 IonicContact CZ-OD2 2.76Å; R274-D309 IonicContact NE-OD1 3.66Å; R274-D309 PolarHBondContact NE-OD1 2.85Å; R274-D309 IonicContact NE-OD2 3.15Å; R274-D309 PolarHBondContact NE-OD2 3.08Å; R274-D309 IonicContact NH2-OD1 3.66Å; R274-D309 PolarHBondContact NH2-OD1 3.25Å; R274-D309 IonicContact NH2-OD2 2.92Å; R274-D309 PolarHBondContact NH2-OD2 3.46Å; R274-F387 CarbonylContact C-O 3.59Å; R274-F387 WeakPolarHBondContact CA-O 3.31Å; R274-F387 HydrophobicContact CG-CE1 3.98Å; R274-F387 HydrophobicContact CG-CE2 4.19Å; R274-F387 HydrophobicContact CG-CZ 3.56Å; R274-P389 HydrophobicContact CB-CG 4.21Å; R274-P389 HydrophobicContact CG-CG 3.66Å; R274-F852 PolarHBondContact NH1-O 2.78Å; R274-F852 PolarHBondContact NH2-O 2.81Å
275	R	88.6	Confident	90.5	Very high	134 Å²	134	49.7 Å²	49.7	51%	0.506	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	137.3	173.4	-172.3	178.7	-77.6	-178	-2.9	109.4	R273 D277 F386 F387	R273-R275 PolarHBondContact O-N 2.76Å; R275-D277 VanDerWaalsContact C-N 3.26Å; R275-D277 PolarHBondContact O-N 2.74Å; R275-F386 HydrophobicContact CB-CB 4.4Å; R275-F387 PolarHBondContact N-O 2.97Å
276	N	83.7	Confident	90.8	Very high	48 Å²	48	47 Å²	47	26%	0.257	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	34.8	179.1	-50.5	-31	0	0	0	114.2	F842	N276-F842 HydrophobicContact CB-CD2 3.47Å; N276-F842 VanDerWaalsContact CB-CD2 3.47Å; N276-F842 HydrophobicContact CB-CE2 3.44Å; N276-F842 VanDerWaalsContact CB-CE2 3.44Å; N276-F842 HydrophobicContact CB-CG 4.17Å; N276-F842 HydrophobicContact CB-CZ 4.11Å; N276-F842 WeakPolarHBondContact O-CE2 3.22Å
277	D	85.3	Confident	91.1	Very high	44 Å²	44	43.5 Å²	43.5	24%	0.235	21%	0.207	C	C	.	.			trans	-63.9	141.6	178.1	-157.2	-9.1	0	0	0	111.7	R274 R275 D279 Q307	R274-D277 HydrophobicContact CB-CB 4.1Å; R275-D277 VanDerWaalsContact C-N 3.26Å; R275-D277 PolarHBondContact O-N 2.74Å; D277-D279 VanDerWaalsContact C-N 3.3Å; D277-D279 PolarHBondContact OD1-N 3.07Å; D277-Q307 PolarHBondContact OD2-NE2 2.81Å
278	L	89.2	Confident	91.1	Very high	11 Å²	11	44.6 Å²	44.6	6%	0.058	22%	0.215	C	C	.	.			trans	-87.3	-2.9	176.4	-68.9	176.6	0	0	0	112.8	Y807 K812 R815 K816 M819 F842 P855	L278-Y807 WeakPolarHBondContact O-CE2 3.18Å; L278-Y807 PolarHBondContact O-OH 3.41Å; L278-K812 HydrophobicContact CD1-CG 3.73Å; L278-R815 HydrophobicContact CD2-CB 4.24Å; L278-K816 HydrophobicContact CD1-CD 4.24Å; L278-K816 HydrophobicContact CD1-CG 3.61Å; L278-K816 HydrophobicContact CD2-CG 3.92Å; L278-K816 HydrophobicContact CG-CG 4.27Å; L278-M819 HydrophobicContact CD2-SD 3.56Å; L278-M819 VanDerWaalsContact CD2-SD 3.56Å; L278-F842 HydrophobicContact CD2-CZ 4.16Å; L278-P855 HydrophobicContact CB-CB 3.68Å; L278-P855 HydrophobicContact CB-CG 3.78Å; L278-P855 HydrophobicContact CD1-CG 4.19Å
279	D	89.9	Confident	91.3	Very high	19 Å²	19	40 Å²	40	10%	0.102	20%	0.199	C	C	.	.	S	Bend	trans	-53.2	152.5	170.8	-91.3	27.3	0	0	0	111.3	D277 P281 R283 Q307 P855 K856	D277-D279 VanDerWaalsContact C-N 3.3Å; D277-D279 PolarHBondContact OD1-N 3.07Å; D279-P281 WeakPolarHBondContact O-CD 3.43Å; D279-R283 IonicContact OD2-CZ 3.81Å; D279-R283 IonicContact OD2-NH1 2.7Å; D279-R283 PolarHBondContact OD2-NH1 3.03Å; D279-Q307 VanDerWaalsContact CG-NE2 3.26Å; D279-Q307 PolarHBondContact OD2-NE2 3.23Å; D279-P855 WeakPolarHBondContact OD1-CA 3.13Å; D279-K856 CarbonylContact C-O 3.49Å; D279-K856 WeakPolarHBondContact CA-O 2.95Å; D279-K856 PolarHBondContact OD1-N 2.78Å
280	D	85.7	Confident	91.4	Very high	45 Å²	45	41.1 Å²	41.1	24%	0.241	21%	0.206	C	C	.	.			trans	-51.6	118.7	169.6	-176.3	1.1	0	0	0	110.5	E282 R283 K856	D280-E282 PolarHBondContact O-N 2.77Å; D280-E282 PolarHBondContact OD1-N 3.4Å; D280-R283 HydrophobicContact CB-CB 4.2Å; D280-R283 WeakPolarHBondContact O-CB 3.32Å; D280-R283 PolarHBondContact O-N 2.76Å; D280-K856 PolarHBondContact N-O 3.13Å
281	P	80	Confident	91.5	Very high	106 Å²	106	40.7 Å²	40.7	69%	0.688	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.4	-174.4	24.6	-35	0	0	0	113.3	D279 R283	D279-P281 WeakPolarHBondContact O-CD 3.43Å; P281-R283 VanDerWaalsContact C-N 3.25Å; P281-R283 PolarHBondContact O-N 2.85Å
282	E	84.5	Confident	91.5	Very high	178 Å²	178	43.1 Å²	43.1	83%	0.832	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-8	177.4	-63.3	-173.8	170	0	0	113	D280	D280-E282 PolarHBondContact O-N 2.77Å; D280-E282 PolarHBondContact OD1-N 3.4Å
283	R	88.6	Confident	91.4	Very high	46 Å²	46	44.9 Å²	44.9	17%	0.174	23%	0.227	C	C	.	.			trans	-75.1	128.4	-177.6	-173.3	176.2	171.7	-98.8	-7.2	110.9	R273 D279 D280 P281 E306	R273-R283 VanDerWaalsContact CZ-O 3.24Å; R273-R283 PolarHBondContact NH1-O 3.04Å; R273-R283 PolarHBondContact NH2-O 3.24Å; D279-R283 IonicContact OD2-CZ 3.81Å; D279-R283 IonicContact OD2-NH1 2.7Å; D279-R283 PolarHBondContact OD2-NH1 3.03Å; D280-R283 HydrophobicContact CB-CB 4.2Å; D280-R283 WeakPolarHBondContact O-CB 3.32Å; D280-R283 PolarHBondContact O-N 2.76Å; P281-R283 VanDerWaalsContact C-N 3.25Å; P281-R283 PolarHBondContact O-N 2.85Å; R283-E306 IonicContact CZ-OE1 2.71Å; R283-E306 IonicContact CZ-OE2 2.97Å; R283-E306 IonicContact NH2-OE1 3.22Å; R283-E306 PolarHBondContact NH2-OE1 2.84Å; R283-E306 VanDerWaalsContact NH2-OE1 3.16Å; R283-E306 IonicContact NH2-OE2 3.37Å; R283-E306 PolarHBondContact NH2-OE2 2.83Å
284	G	90.5	Very high	91.3	Very high	8 Å²	8	46 Å²	46	8%	0.082	23%	0.234	C	C	.	.			trans	-68.6	165.6	168.7	0	0	0	0	0	113.6	E253 N254	E253-G284 VanDerWaalsContact OE1-CA 3.31Å; E253-G284 WeakPolarHBondContact OE1-CA 2.99Å; N254-G284 WeakPolarHBondContact OD1-CA 3.34Å
285	M	93.3	Very high	91.1	Very high	8 Å²	8	47.5 Å²	47.5	4%	0.039	25%	0.246	C	C	.	.			trans	-119.2	137.4	172.9	-169.7	59.4	65.3	0	0	110.3	N254 I271 T305 E306 Q307	N254-M285 PolarHBondContact N-O 3.18Å; N254-M285 PolarHBondContact OD1-N 2.95Å; I271-M285 HydrophobicContact CG2-CB 4.39Å; I271-M285 HydrophobicContact CG2-CG 3.86Å; M285-T305 HydrophobicContact CG-CG2 4.2Å; M285-T305 HydrophobicContact SD-CG2 4.34Å; M285-E306 HydrophobicContact SD-CG 3.85Å; M285-Q307 VanDerWaalsContact CE-CD 3.44Å; M285-Q307 HydrophobicContact CE-CG 3.84Å; M285-Q307 HydrophobicContact SD-CG 4.28Å
286	I	96.4	Very high	90.9	Very high	43 Å²	43	51.6 Å²	51.6	22%	0.221	27%	0.267	C	S	.	.			trans	-128.3	150.2	174.3	56.4	169	0	0	0	112	E253 V288 T305 E306	E253-I286 HydrophobicContact CB-CG2 4.24Å; I286-V288 HydrophobicContact CD1-CG1 3.88Å; I286-V288 HydrophobicContact CG1-CG1 3.96Å; I286-T305 CarbonylContact O-C 3.49Å; I286-T305 VanDerWaalsContact O-CA 3.28Å; I286-T305 WeakPolarHBondContact O-CA 3.38Å; I286-E306 HydrophobicContact CG1-CB 4.3Å; I286-E306 HydrophobicContact CG1-CG 4.13Å; I286-E306 PolarHBondContact O-N 3.17Å; I286-E306 VanDerWaalsContact O-N 3.07Å
287	F	98	Very high	91	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	132.8	160.7	-70.4	-64.8	0	0	0	109.9	N233 C251 I256 I271 A303 Q304 T305 F311 I313 L327	N233-F287 PolarHBondContact ND2-O 2.86Å; C251-F287 HydrophobicContact CB-CB 4.02Å; C251-F287 HydrophobicContact CB-CD2 4.44Å; I256-F287 HydrophobicContact CB-CE2 4.3Å; I256-F287 HydrophobicContact CD1-CE2 4.35Å; I271-F287 HydrophobicContact CD1-CD2 3.73Å; I271-F287 HydrophobicContact CD1-CE2 3.81Å; I271-F287 HydrophobicContact CD1-CG 4.48Å; I271-F287 HydrophobicContact CG1-CD2 4.15Å; I271-F287 HydrophobicContact CG1-CE2 3.69Å; I271-F287 HydrophobicContact CG1-CZ 4.34Å; I271-F287 HydrophobicContact CG2-CE2 4.31Å; I271-F287 HydrophobicContact CG2-CZ 4.14Å; F287-A303 HydrophobicContact CD1-CB 3.55Å; F287-A303 HydrophobicContact CD2-CB 4.48Å; F287-A303 HydrophobicContact CE1-CB 3.66Å; F287-A303 WeakPolarHBondContact CE1-O 3.43Å; F287-A303 HydrophobicContact CG-CB 3.99Å; F287-A303 HydrophobicContact CZ-CB 4.19Å; F287-Q304 CarbonylContact C-O 3.49Å; F287-Q304 WeakPolarHBondContact CA-O 3.36Å; F287-T305 HydrophobicContact CD1-CG2 3.98Å; F287-T305 HydrophobicContact CE1-CG2 3.8Å; F287-F311 HydrophobicContact CE1-CB 4.33Å; F287-F311 AromaticContact CE1-CD2 3.82Å; F287-F311 HydrophobicContact CE1-CD2 3.82Å; F287-F311 HydrophobicContact CE1-CG 4.42Å; F287-F311 HydrophobicContact CZ-CB 4.38Å; F287-F311 HydrophobicContact CZ-CD2 4.15Å; F287-F311 HydrophobicContact CZ-CG 4.45Å; F287-I313 HydrophobicContact CE2-CD1 4.25Å; F287-I313 HydrophobicContact CZ-CD1 4.18Å; F287-L327 HydrophobicContact CE2-CD2 4.26Å; F287-L327 HydrophobicContact CZ-CD2 3.9Å
288	V	97	Very high	91.3	Very high	43 Å²	43	56.1 Å²	56.1	26%	0.261	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-19.5	-176	-63.1	0	0	0	0	113.5	I286 Q304 E306 V335	I286-V288 HydrophobicContact CD1-CG1 3.88Å; I286-V288 HydrophobicContact CG1-CG1 3.96Å; V288-Q304 PolarHBondContact N-O 2.98Å; V288-E306 HydrophobicContact CG1-CB 3.73Å; V288-V335 HydrophobicContact CG2-CG1 3.91Å
289	C	97.8	Very high	91.6	Very high	8 Å²	8	57.2 Å²	57.2	5%	0.054	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	150.5	-179.7	-174.2	0	0	0	0	110.2	A303 Q304 M339	C289-A303 WeakPolarHBondContact O-CA 3.28Å; C289-Q304 HydrophobicContact CB-CB 4.45Å; C289-Q304 PolarHBondContact O-N 3.35Å; C289-M339 HydrophobicContact CB-CE 4.34Å; C289-M339 PolarHBondContact SG-N 2.88Å; C289-M339 VanDerWaalsContact SG-N 3.4Å
290	S	98	Very high	91.9	Very high	22 Å²	22	56.3 Å²	56.3	15%	0.154	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	162.8	169.9	73.2	0	0	0	0	113.3	F234 L302	F234-S290 VanDerWaalsContact CE1-OG 3.3Å; F234-S290 WeakPolarHBondContact CE1-OG 3.31Å; F234-S290 WeakPolarHBondContact CZ-OG 3.5Å; S290-L302 CarbonylContact C-O 3.49Å; S290-L302 WeakPolarHBondContact CA-O 3.37Å; S290-L302 WeakPolarHBondContact CB-O 3.35Å
291	A	97.2	Very high	92.5	Very high	9 Å²	9	54.1 Å²	54.1	7%	0.074	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.5	165.2	0	0	0	0	0	110.2	L302 M339 V341	A291-L302 PolarHBondContact N-O 3.05Å; A291-L302 PolarHBondContact O-N 3.27Å; A291-M339 HydrophobicContact CB-CB 3.86Å; A291-V341 HydrophobicContact CB-CB 4.49Å; A291-V341 HydrophobicContact CB-CG2 3.64Å
292	T	95.5	Very high	93.3	Very high	53 Å²	53	49.1 Å²	49.1	33%	0.325	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.4	176.4	-53.1	0	0	0	0	109.6	P239 F301	P239-T292 HydrophobicContact CG-CG2 4.4Å; T292-F301 HydrophobicContact CG2-CD1 3.85Å; T292-F301 HydrophobicContact CG2-CE1 3.74Å; T292-F301 WeakPolarHBondContact OG1-CD1 3.31Å
293	H	93.7	Very high	94	Very high	38 Å²	38	40.6 Å²	40.6	18%	0.176	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.8	167.5	-173	77	0	0	0	109.6	T295 F299 F300 V341	H293-T295 WeakPolarHBondContact NE2-CG2 3.39Å; H293-F299 CarbonylContact O-C 3.5Å; H293-F299 WeakPolarHBondContact O-CA 3.24Å; H293-F300 HydrophobicContact CB-CD1 4.14Å; H293-F300 HydrophobicContact CB-CD2 4.23Å; H293-F300 HydrophobicContact CB-CE1 3.7Å; H293-F300 HydrophobicContact CB-CE2 3.77Å; H293-F300 HydrophobicContact CB-CG 4.4Å; H293-F300 HydrophobicContact CB-CZ 3.48Å; H293-F300 VanDerWaalsContact CB-CZ 3.48Å; H293-F300 AromaticContact CD2-CE1 3.29Å; H293-F300 WeakPolarHBondContact CD2-CE1 3.37Å; H293-F300 AromaticContact CD2-CZ 3.72Å; H293-F300 AromaticContact CG-CE1 3.72Å; H293-F300 AromaticContact CG-CZ 3.7Å; H293-F300 PolarHBondContact N-O 3.37Å; H293-F300 PolarHBondContact O-N 2.99Å; H293-V341 HydrophobicContact CB-CG1 4.07Å; H293-V341 VanDerWaalsContact ND1-CG1 3.27Å; H293-V341 WeakPolarHBondContact ND1-CG1 3.42Å
294	K	91.3	Very high	94.5	Very high	80 Å²	80	38.4 Å²	38.4	35%	0.348	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	129.6	-178	173.5	178.9	164.6	-177.6	0	110.7	P239 D243 F299	P239-K294 HydrophobicContact CB-CD 4.37Å; P239-K294 HydrophobicContact CG-CD 4.39Å; D243-K294 WeakPolarHBondContact OD1-CE 3.17Å; D243-K294 IonicContact OD1-NZ 3.97Å; D243-K294 PolarHBondContact OD1-NZ 2.85Å; D243-K294 IonicContact OD2-NZ 3.83Å; D243-K294 PolarHBondContact OD2-NZ 2.87Å; K294-F299 HydrophobicContact CB-CB 4.22Å; K294-F299 HydrophobicContact CG-CB 4.38Å
295	T	88.8	Confident	94.8	Very high	55 Å²	55	38.1 Å²	38.1	34%	0.337	20%	0.202	S	C	.	.			trans	-112.7	-169.5	169.7	73.4	0	0	0	0	109.7	H293 S297 M298	H293-T295 WeakPolarHBondContact NE2-CG2 3.39Å; T295-S297 VanDerWaalsContact C-N 3.33Å; T295-S297 PolarHBondContact OG1-N 3.37Å; T295-M298 HydrophobicContact CG2-CG 4.46Å; T295-M298 PolarHBondContact N-O 2.56Å; T295-M298 VanDerWaalsContact OG1-CG 3.3Å; T295-M298 WeakPolarHBondContact OG1-CG 3.19Å; T295-M298 PolarHBondContact OG1-N 3.03Å; T295-M298 PolarHBondContact OG1-O 2.88Å; T295-M298 VanDerWaalsContact OG1-O 3.09Å
296	K	84.4	Confident	94.9	Very high	220 Å²	220	40.6 Å²	40.6	96%	0.957	21%	0.214	S	C	*	.	S	Bend	trans	-75.5	-21.2	175.9	-68.7	-172.8	-176.8	-178.7	0	113.6
297	S	85.9	Confident	94.8	Very high	112 Å²	112	39.4 Å²	39.4	78%	0.783	21%	0.207	S	C	*	.	S	Bend	trans	-117.3	-18.8	-171.9	55	0	0	0	0	113.8	T295	T295-S297 VanDerWaalsContact C-N 3.33Å; T295-S297 PolarHBondContact OG1-N 3.37Å
298	M	91.6	Very high	94.7	Very high	74 Å²	74	39.4 Å²	39.4	37%	0.365	21%	0.207	S	C	.	.			trans	-150.5	157.7	-177.1	63.6	-179.2	-73.5	0	0	111.2	T295 F300	T295-M298 HydrophobicContact CG2-CG 4.46Å; T295-M298 PolarHBondContact N-O 2.56Å; T295-M298 VanDerWaalsContact OG1-CG 3.3Å; T295-M298 WeakPolarHBondContact OG1-CG 3.19Å; T295-M298 PolarHBondContact OG1-N 3.03Å; T295-M298 PolarHBondContact OG1-O 2.88Å; T295-M298 VanDerWaalsContact OG1-O 3.09Å; M298-F300 HydrophobicContact CE-CD1 3.84Å; M298-F300 HydrophobicContact CE-CE1 4.24Å
299	F	95.1	Very high	94.7	Very high	34 Å²	34	37.4 Å²	37.4	15%	0.149	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.4	166.8	65.2	-91.5	0	0	0	109.5	V238 P239 P245 H293 K294 F301 L315	V238-F299 HydrophobicContact CG1-CE2 4.19Å; V238-F299 HydrophobicContact CG1-CZ 4.3Å; P239-F299 HydrophobicContact CB-CD1 4.33Å; P239-F299 HydrophobicContact CB-CG 4.38Å; P239-F299 HydrophobicContact CG-CB 3.99Å; P239-F299 HydrophobicContact CG-CD1 4.18Å; P239-F299 HydrophobicContact CG-CD2 3.87Å; P239-F299 HydrophobicContact CG-CE2 4.43Å; P239-F299 HydrophobicContact CG-CG 3.74Å; P245-F299 HydrophobicContact CG-CZ 4.4Å; H293-F299 CarbonylContact O-C 3.5Å; H293-F299 WeakPolarHBondContact O-CA 3.24Å; K294-F299 HydrophobicContact CB-CB 4.22Å; K294-F299 HydrophobicContact CG-CB 4.38Å; F299-F301 HydrophobicContact CD2-CE2 4.01Å; F299-F301 AromaticContact CD2-CZ 3.87Å; F299-F301 HydrophobicContact CD2-CZ 3.87Å; F299-F301 AromaticContact CE2-CE2 3.9Å; F299-F301 HydrophobicContact CE2-CE2 3.9Å; F299-F301 AromaticContact CE2-CZ 3.88Å; F299-F301 HydrophobicContact CE2-CZ 3.88Å; F299-L315 HydrophobicContact CE2-CD1 4.2Å
300	F	96.4	Very high	94.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	166.8	170.5	64.3	-92.7	0	0	0	109.5	H293 M298 L302 K312 I313 T314 L364	H293-F300 HydrophobicContact CB-CD1 4.14Å; H293-F300 HydrophobicContact CB-CD2 4.23Å; H293-F300 HydrophobicContact CB-CE1 3.7Å; H293-F300 HydrophobicContact CB-CE2 3.77Å; H293-F300 HydrophobicContact CB-CG 4.4Å; H293-F300 HydrophobicContact CB-CZ 3.48Å; H293-F300 VanDerWaalsContact CB-CZ 3.48Å; H293-F300 AromaticContact CD2-CE1 3.29Å; H293-F300 WeakPolarHBondContact CD2-CE1 3.37Å; H293-F300 AromaticContact CD2-CZ 3.72Å; H293-F300 AromaticContact CG-CE1 3.72Å; H293-F300 AromaticContact CG-CZ 3.7Å; H293-F300 PolarHBondContact N-O 3.37Å; H293-F300 PolarHBondContact O-N 2.99Å; M298-F300 HydrophobicContact CE-CD1 3.84Å; M298-F300 HydrophobicContact CE-CE1 4.24Å; F300-L302 HydrophobicContact CD2-CD2 4.19Å; F300-L302 HydrophobicContact CD2-CG 4.34Å; F300-L302 HydrophobicContact CE2-CD1 4.48Å; F300-L302 HydrophobicContact CE2-CD2 3.87Å; F300-L302 HydrophobicContact CE2-CG 3.91Å; F300-K312 HydrophobicContact CB-CG 4.31Å; F300-K312 HydrophobicContact CD2-CD 4.48Å; F300-K312 HydrophobicContact CD2-CG 3.97Å; F300-K312 HydrophobicContact CG-CG 4.32Å; F300-I313 WeakPolarHBondContact CA-O 3.43Å; F300-T314 HydrophobicContact CB-CG2 3.9Å; F300-L364 HydrophobicContact CE1-CD2 4.07Å; F300-L364 HydrophobicContact CZ-CD2 3.87Å
301	F	98	Very high	94.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	140.3	176.9	-43.7	-86.2	0	0	0	109.5	I236 T237 V238 L249 T292 F299 K312 I313 L315	I236-F301 HydrophobicContact CG2-CD1 3.52Å; I236-F301 HydrophobicContact CG2-CE1 3.82Å; I236-F301 HydrophobicContact CG2-CG 4.32Å; T237-F301 WeakPolarHBondContact O-CE1 3.26Å; V238-F301 HydrophobicContact CB-CZ 4.36Å; V238-F301 HydrophobicContact CG1-CZ 4.33Å; V238-F301 HydrophobicContact CG2-CZ 4.05Å; L249-F301 HydrophobicContact CD1-CD2 3.72Å; L249-F301 HydrophobicContact CD1-CE2 3.75Å; L249-F301 HydrophobicContact CD1-CG 4.19Å; L249-F301 HydrophobicContact CD1-CZ 4.23Å; T292-F301 HydrophobicContact CG2-CD1 3.85Å; T292-F301 HydrophobicContact CG2-CE1 3.74Å; T292-F301 WeakPolarHBondContact OG1-CD1 3.31Å; F299-F301 HydrophobicContact CD2-CE2 4.01Å; F299-F301 AromaticContact CD2-CZ 3.87Å; F299-F301 HydrophobicContact CD2-CZ 3.87Å; F299-F301 AromaticContact CE2-CE2 3.9Å; F299-F301 HydrophobicContact CE2-CE2 3.9Å; F299-F301 AromaticContact CE2-CZ 3.88Å; F299-F301 HydrophobicContact CE2-CZ 3.88Å; F301-K312 CarbonylContact O-C 3.5Å; F301-K312 WeakPolarHBondContact O-CA 2.98Å; F301-I313 HydrophobicContact CB-CB 4.2Å; F301-I313 HydrophobicContact CD2-CB 4.26Å; F301-I313 HydrophobicContact CD2-CG2 4.4Å; F301-I313 WeakPolarHBondContact CD2-O 3.48Å; F301-I313 PolarHBondContact N-O 3.27Å; F301-I313 PolarHBondContact O-N 3.19Å; F301-L315 HydrophobicContact CE2-CD1 4.15Å; F301-L315 HydrophobicContact CE2-CG 4.27Å
302	L	98.2	Very high	94.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	114.8	161.3	-64.5	-178.3	0	0	0	106.7	S290 A291 F300 I310 F311 K312 F330 M339 V341 L347	S290-L302 CarbonylContact C-O 3.49Å; S290-L302 WeakPolarHBondContact CA-O 3.37Å; S290-L302 WeakPolarHBondContact CB-O 3.35Å; A291-L302 PolarHBondContact N-O 3.05Å; A291-L302 PolarHBondContact O-N 3.27Å; F300-L302 HydrophobicContact CD2-CD2 4.19Å; F300-L302 HydrophobicContact CD2-CG 4.34Å; F300-L302 HydrophobicContact CE2-CD1 4.48Å; F300-L302 HydrophobicContact CE2-CD2 3.87Å; F300-L302 HydrophobicContact CE2-CG 3.91Å; L302-I310 HydrophobicContact CB-CG2 3.83Å; L302-I310 HydrophobicContact CD2-CG2 3.94Å; L302-I310 HydrophobicContact CG-CG2 4.32Å; L302-F311 WeakPolarHBondContact CA-O 3.49Å; L302-K312 HydrophobicContact CD2-CB 4.3Å; L302-F330 HydrophobicContact CD1-CE1 4.37Å; L302-F330 HydrophobicContact CD2-CD1 4.08Å; L302-F330 HydrophobicContact CD2-CD2 4.16Å; L302-F330 HydrophobicContact CD2-CE1 4.28Å; L302-F330 HydrophobicContact CD2-CE2 4.37Å; L302-F330 HydrophobicContact CD2-CG 4.01Å; L302-F330 HydrophobicContact CD2-CZ 4.42Å; L302-M339 WeakPolarHBondContact O-CE 3.33Å; L302-V341 HydrophobicContact CD1-CG2 4.1Å; L302-L347 HydrophobicContact CD1-CD1 4.47Å; L302-L347 HydrophobicContact CD1-CD2 4.2Å
303	A	98.4	Very high	94.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.2	177.8	0	0	0	0	0	109.6	I236 F287 C289 I310 F311 I313	I236-A303 HydrophobicContact CD1-CB 4.47Å; F287-A303 HydrophobicContact CD1-CB 3.55Å; F287-A303 HydrophobicContact CD2-CB 4.48Å; F287-A303 HydrophobicContact CE1-CB 3.66Å; F287-A303 WeakPolarHBondContact CE1-O 3.43Å; F287-A303 HydrophobicContact CG-CB 3.99Å; F287-A303 HydrophobicContact CZ-CB 4.19Å; C289-A303 WeakPolarHBondContact O-CA 3.28Å; A303-I310 CarbonylContact O-C 3.54Å; A303-I310 WeakPolarHBondContact O-CA 3.47Å; A303-F311 PolarHBondContact N-O 3.43Å; A303-F311 PolarHBondContact O-N 3.1Å; A303-I313 HydrophobicContact CB-CD1 3.67Å; A303-I313 HydrophobicContact CB-CG1 4.35Å
304	Q	98.3	Very high	95.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.2	-175.4	-167.4	-171.8	35.1	0	0	110.9	F287 V288 C289 G308 D309 I310 V333 P334 A336 M339	F287-Q304 CarbonylContact C-O 3.49Å; F287-Q304 WeakPolarHBondContact CA-O 3.36Å; V288-Q304 PolarHBondContact N-O 2.98Å; C289-Q304 HydrophobicContact CB-CB 4.45Å; C289-Q304 PolarHBondContact O-N 3.35Å; Q304-G308 PolarHBondContact NE2-O 3.16Å; Q304-D309 CarbonylContact C-O 3.55Å; Q304-D309 VanDerWaalsContact CA-O 3.29Å; Q304-D309 WeakPolarHBondContact CA-O 3.47Å; Q304-I310 HydrophobicContact CB-CG1 4.15Å; Q304-I310 HydrophobicContact CG-CG1 3.98Å; Q304-V333 VanDerWaalsContact NE2-CG2 3.34Å; Q304-V333 PolarHBondContact NE2-O 3.48Å; Q304-P334 PolarHBondContact NE2-O 3.27Å; Q304-A336 VanDerWaalsContact OE1-CB 3.26Å; Q304-M339 HydrophobicContact CB-CE 3.85Å; Q304-M339 HydrophobicContact CB-SD 4.3Å
305	T	97.4	Very high	95.3	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	164.6	173.1	70.3	0	0	0	0	111.6	I271 M285 I286 F287 Q307 G308 D309 F311	I271-T305 HydrophobicContact CG2-CG2 4.24Å; M285-T305 HydrophobicContact CG-CG2 4.2Å; M285-T305 HydrophobicContact SD-CG2 4.34Å; I286-T305 CarbonylContact O-C 3.49Å; I286-T305 VanDerWaalsContact O-CA 3.28Å; I286-T305 WeakPolarHBondContact O-CA 3.38Å; F287-T305 HydrophobicContact CD1-CG2 3.98Å; F287-T305 HydrophobicContact CE1-CG2 3.8Å; T305-Q307 PolarHBondContact O-N 3.35Å; T305-Q307 VanDerWaalsContact O-N 3.12Å; T305-Q307 PolarHBondContact OG1-N 3.12Å; T305-G308 PolarHBondContact O-N 3.44Å; T305-D309 HydrophobicContact CG2-CB 4.35Å; T305-D309 PolarHBondContact N-O 2.86Å; T305-D309 WeakPolarHBondContact OG1-CB 3.1Å; T305-D309 PolarHBondContact OG1-N 3.41Å; T305-F311 HydrophobicContact CG2-CD2 4.1Å; T305-F311 HydrophobicContact CG2-CE2 3.79Å
306	E	94.8	Very high	95.7	Very high	60 Å²	60	31 Å²	31	28%	0.28	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-8.1	172.7	61.9	179.3	147.8	0	0	114.8	R283 M285 I286 V288 V335	R283-E306 IonicContact CZ-OE1 2.71Å; R283-E306 IonicContact CZ-OE2 2.97Å; R283-E306 IonicContact NH2-OE1 3.22Å; R283-E306 PolarHBondContact NH2-OE1 2.84Å; R283-E306 VanDerWaalsContact NH2-OE1 3.16Å; R283-E306 IonicContact NH2-OE2 3.37Å; R283-E306 PolarHBondContact NH2-OE2 2.83Å; M285-E306 HydrophobicContact SD-CG 3.85Å; I286-E306 HydrophobicContact CG1-CB 4.3Å; I286-E306 HydrophobicContact CG1-CG 4.13Å; I286-E306 PolarHBondContact O-N 3.17Å; I286-E306 VanDerWaalsContact O-N 3.07Å; V288-E306 HydrophobicContact CG1-CB 3.73Å; E306-V335 VanDerWaalsContact O-CG2 3.32Å; E306-V335 WeakPolarHBondContact O-CG2 3.32Å
307	Q	94.2	Very high	96	Very high	18 Å²	18	23.8 Å²	23.8	8%	0.084	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-11.2	169.4	-72.4	-175.2	-19.3	0	0	112.9	D277 D279 M285 T305 D309	D277-Q307 PolarHBondContact OD2-NE2 2.81Å; D279-Q307 VanDerWaalsContact CG-NE2 3.26Å; D279-Q307 PolarHBondContact OD2-NE2 3.23Å; M285-Q307 VanDerWaalsContact CE-CD 3.44Å; M285-Q307 HydrophobicContact CE-CG 3.84Å; M285-Q307 HydrophobicContact SD-CG 4.28Å; T305-Q307 PolarHBondContact O-N 3.35Å; T305-Q307 VanDerWaalsContact O-N 3.12Å; T305-Q307 PolarHBondContact OG1-N 3.12Å; Q307-D309 PolarHBondContact OE1-OD2 2.84Å
308	G	96.2	Very high	96.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	100.3	0.4	-179.8	0	0	0	0	0	114.5	Q304 T305 I310 V333	Q304-G308 PolarHBondContact NE2-O 3.16Å; T305-G308 PolarHBondContact O-N 3.44Å; G308-I310 PolarHBondContact O-N 2.75Å; G308-V333 CarbonylContact C-O 3.53Å; G308-V333 WeakPolarHBondContact CA-O 3.32Å; G308-V333 PolarHBondContact O-N 2.82Å
309	D	97.6	Very high	95.9	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.011	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	122.6	-179.3	-53.9	-47.8	0	0	0	110	R274 Q304 T305 Q307 F311 Y329 T332 F387	R274-D309 IonicContact CZ-OD1 3.86Å; R274-D309 IonicContact CZ-OD2 2.76Å; R274-D309 IonicContact NE-OD1 3.66Å; R274-D309 PolarHBondContact NE-OD1 2.85Å; R274-D309 IonicContact NE-OD2 3.15Å; R274-D309 PolarHBondContact NE-OD2 3.08Å; R274-D309 IonicContact NH2-OD1 3.66Å; R274-D309 PolarHBondContact NH2-OD1 3.25Å; R274-D309 IonicContact NH2-OD2 2.92Å; R274-D309 PolarHBondContact NH2-OD2 3.46Å; Q304-D309 CarbonylContact C-O 3.55Å; Q304-D309 VanDerWaalsContact CA-O 3.29Å; Q304-D309 WeakPolarHBondContact CA-O 3.47Å; T305-D309 HydrophobicContact CG2-CB 4.35Å; T305-D309 PolarHBondContact N-O 2.86Å; T305-D309 WeakPolarHBondContact OG1-CB 3.1Å; T305-D309 PolarHBondContact OG1-N 3.41Å; Q307-D309 PolarHBondContact OE1-OD2 2.84Å; D309-F311 HydrophobicContact CB-CE2 3.94Å; D309-Y329 HydrophobicContact CB-CE2 4.19Å; D309-T332 PolarHBondContact OD1-OG1 2.97Å; D309-F387 HydrophobicContact CB-CZ 4.07Å
310	I	98.3	Very high	95.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.3	175	-60.2	177.3	0	0	0	108.7	L302 A303 Q304 G308 F330 D331 V333 M339 L347 L395	L302-I310 HydrophobicContact CB-CG2 3.83Å; L302-I310 HydrophobicContact CD2-CG2 3.94Å; L302-I310 HydrophobicContact CG-CG2 4.32Å; A303-I310 CarbonylContact O-C 3.54Å; A303-I310 WeakPolarHBondContact O-CA 3.47Å; Q304-I310 HydrophobicContact CB-CG1 4.15Å; Q304-I310 HydrophobicContact CG-CG1 3.98Å; G308-I310 PolarHBondContact O-N 2.75Å; I310-F330 HydrophobicContact CB-CB 4.29Å; I310-F330 HydrophobicContact CG2-CB 3.98Å; I310-F330 HydrophobicContact CG2-CD1 4.14Å; I310-F330 HydrophobicContact CG2-CG 4.39Å; I310-F330 WeakPolarHBondContact O-CA 3.25Å; I310-F330 VanDerWaalsContact O-CB 3.27Å; I310-F330 WeakPolarHBondContact O-CB 3.22Å; I310-F330 PolarHBondContact O-N 2.93Å; I310-D331 WeakPolarHBondContact CA-O 3.29Å; I310-D331 VanDerWaalsContact CB-O 3.31Å; I310-D331 WeakPolarHBondContact CB-O 3.39Å; I310-D331 PolarHBondContact N-O 3.43Å; I310-V333 HydrophobicContact CD1-CG1 4.3Å; I310-V333 HydrophobicContact CD1-CG2 3.53Å; I310-V333 HydrophobicContact CG1-CG2 4.15Å; I310-M339 HydrophobicContact CD1-SD 3.95Å; I310-M339 HydrophobicContact CG1-SD 4.44Å; I310-L347 HydrophobicContact CD1-CD2 4.15Å; I310-L395 HydrophobicContact CD1-CD1 4.44Å
311	F	98.2	Very high	94.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.8	168.7	-69.3	-93.7	0	0	0	110.1	P272 F287 L302 A303 T305 D309 I313 L327 K328 F387	P272-F311 HydrophobicContact CB-CE1 3.74Å; P272-F311 HydrophobicContact CB-CZ 3.88Å; P272-F311 HydrophobicContact CG-CD1 4.29Å; P272-F311 HydrophobicContact CG-CE1 3.66Å; P272-F311 HydrophobicContact CG-CZ 4.14Å; F287-F311 HydrophobicContact CE1-CB 4.33Å; F287-F311 AromaticContact CE1-CD2 3.82Å; F287-F311 HydrophobicContact CE1-CD2 3.82Å; F287-F311 HydrophobicContact CE1-CG 4.42Å; F287-F311 HydrophobicContact CZ-CB 4.38Å; F287-F311 HydrophobicContact CZ-CD2 4.15Å; F287-F311 HydrophobicContact CZ-CG 4.45Å; L302-F311 WeakPolarHBondContact CA-O 3.49Å; A303-F311 PolarHBondContact N-O 3.43Å; A303-F311 PolarHBondContact O-N 3.1Å; T305-F311 HydrophobicContact CG2-CD2 4.1Å; T305-F311 HydrophobicContact CG2-CE2 3.79Å; D309-F311 HydrophobicContact CB-CE2 3.94Å; F311-I313 HydrophobicContact CB-CG1 4.45Å; F311-L327 HydrophobicContact CB-CD2 4.46Å; F311-L327 HydrophobicContact CD1-CB 4.34Å; F311-K328 CarbonylContact C-O 3.56Å; F311-K328 WeakPolarHBondContact CA-O 3.35Å; F311-F387 HydrophobicContact CE1-CD1 4.2Å; F311-F387 HydrophobicContact CE1-CE1 4.32Å; F311-F387 HydrophobicContact CE2-CE1 4.32Å; F311-F387 HydrophobicContact CE2-CZ 4.44Å; F311-F387 AromaticContact CZ-CD1 3.8Å; F311-F387 HydrophobicContact CZ-CD1 3.8Å; F311-F387 AromaticContact CZ-CE1 3.48Å; F311-F387 HydrophobicContact CZ-CE1 3.48Å; F311-F387 VanDerWaalsContact CZ-CE1 3.48Å; F311-F387 HydrophobicContact CZ-CG 4.46Å; F311-F387 AromaticContact CZ-CZ 3.87Å; F311-F387 HydrophobicContact CZ-CZ 3.87Å
312	K	97.9	Very high	94.7	Very high	7 Å²	7	39 Å²	39	3%	0.03	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124.7	161.7	-178.6	-178.8	-178.2	-179	0	107.9	F300 F301 L302 T314 L327 K328 F330 L364 D366	F300-K312 HydrophobicContact CB-CG 4.31Å; F300-K312 HydrophobicContact CD2-CD 4.48Å; F300-K312 HydrophobicContact CD2-CG 3.97Å; F300-K312 HydrophobicContact CG-CG 4.32Å; F301-K312 CarbonylContact O-C 3.5Å; F301-K312 WeakPolarHBondContact O-CA 2.98Å; L302-K312 HydrophobicContact CD2-CB 4.3Å; K312-T314 HydrophobicContact CG-CG2 4.48Å; K312-L327 WeakPolarHBondContact O-CA 3.44Å; K312-K328 PolarHBondContact N-O 3.43Å; K312-K328 PolarHBondContact O-N 2.71Å; K312-F330 HydrophobicContact CB-CD2 4.23Å; K312-L364 VanDerWaalsContact CD-O 3.26Å; K312-L364 WeakPolarHBondContact CD-O 3.43Å; K312-L364 PolarHBondContact NZ-O 2.96Å; K312-D366 IonicContact NZ-OD1 3.62Å; K312-D366 PolarHBondContact NZ-OD1 2.93Å; K312-D366 IonicContact NZ-OD2 2.68Å; K312-D366 PolarHBondContact NZ-OD2 2.93Å
313	I	98.1	Very high	94.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.9	177.6	-48.7	-172	0	0	0	108.7	L249 I256 F287 F300 F301 A303 F311 I325 R326 L327	L249-I313 HydrophobicContact CD1-CG2 4.44Å; I256-I313 HydrophobicContact CD1-CD1 3.44Å; I256-I313 VanDerWaalsContact CD1-CD1 3.44Å; F287-I313 HydrophobicContact CE2-CD1 4.25Å; F287-I313 HydrophobicContact CZ-CD1 4.18Å; F300-I313 WeakPolarHBondContact CA-O 3.43Å; F301-I313 HydrophobicContact CB-CB 4.2Å; F301-I313 HydrophobicContact CD2-CB 4.26Å; F301-I313 HydrophobicContact CD2-CG2 4.4Å; F301-I313 WeakPolarHBondContact CD2-O 3.48Å; F301-I313 PolarHBondContact N-O 3.27Å; F301-I313 PolarHBondContact O-N 3.19Å; A303-I313 HydrophobicContact CB-CD1 3.67Å; A303-I313 HydrophobicContact CB-CG1 4.35Å; F311-I313 HydrophobicContact CB-CG1 4.45Å; I313-I325 HydrophobicContact CG2-CG2 3.73Å; I313-R326 VanDerWaalsContact CA-O 3.27Å; I313-R326 WeakPolarHBondContact CA-O 3.47Å; I313-L327 HydrophobicContact CD1-CD2 4.2Å; I313-L327 HydrophobicContact CD1-CG 4.41Å; I313-L327 HydrophobicContact CG1-CD2 4.37Å; I313-L327 HydrophobicContact CG1-CG 4.17Å
314	T	97.4	Very high	94.5	Very high	29 Å²	29	43.8 Å²	43.8	18%	0.178	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	153.8	174.3	49.4	0	0	0	0	110	F300 K312 R326	F300-T314 HydrophobicContact CB-CG2 3.9Å; K312-T314 HydrophobicContact CG-CG2 4.48Å; T314-R326 PolarHBondContact N-O 2.72Å; T314-R326 PolarHBondContact O-N 2.77Å; T314-R326 WeakPolarHBondContact OG1-CB 3.32Å
315	L	97.1	Very high	94.5	Very high	17 Å²	17	43.8 Å²	43.8	9%	0.089	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.8	178.2	-57.2	-179.2	0	0	0	108	V238 L249 Y258 F299 F301 V322 E324 I325	V238-L315 HydrophobicContact CG1-CD1 3.74Å; V238-L315 HydrophobicContact CG2-CD1 4Å; L249-L315 HydrophobicContact CD2-CD2 4.15Å; Y258-L315 HydrophobicContact CD2-CD1 4.02Å; Y258-L315 HydrophobicContact CE2-CD1 4.19Å; F299-L315 HydrophobicContact CE2-CD1 4.2Å; F301-L315 HydrophobicContact CE2-CD1 4.15Å; F301-L315 HydrophobicContact CE2-CG 4.27Å; L315-V322 HydrophobicContact CB-CG1 4.04Å; L315-V322 HydrophobicContact CB-CG2 4.3Å; L315-V322 HydrophobicContact CD1-CG2 4.18Å; L315-V322 HydrophobicContact CD2-CG1 4.23Å; L315-V322 HydrophobicContact CG-CG1 4.49Å; L315-E324 WeakPolarHBondContact CA-O 3.31Å; L315-I325 HydrophobicContact CD2-CB 4.32Å; L315-I325 HydrophobicContact CD2-CG1 3.8Å; L315-I325 HydrophobicContact CD2-CG2 4.28Å
316	E	95.6	Very high	94.5	Very high	77 Å²	77	46.9 Å²	46.9	36%	0.36	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	138.2	168.8	-63.9	-62.7	149.8	0	0	109.1	V322 T323 E324 R326	E316-V322 CarbonylContact O-C 3.53Å; E316-V322 VanDerWaalsContact O-CA 3.28Å; E316-V322 WeakPolarHBondContact O-CA 3.3Å; E316-T323 PolarHBondContact O-N 2.82Å; E316-T323 PolarHBondContact O-OG1 2.8Å; E316-E324 HydrophobicContact CB-CB 3.8Å; E316-E324 HydrophobicContact CG-CB 4.07Å; E316-E324 PolarHBondContact N-O 2.74Å; E316-R326 IonicContact OE1-CZ 2.67Å; E316-R326 IonicContact OE1-NE 2.96Å
317	T	91.6	Very high	94.6	Very high	69 Å²	69	44 Å²	44	42%	0.423	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.7	-178.5	57.9	0	0	0	0	110.8	P245 M321 V322	P245-T317 HydrophobicContact CB-CG2 4.22Å; P245-T317 HydrophobicContact CG-CG2 3.97Å; T317-M321 CarbonylContact C-O 3.53Å; T317-M321 VanDerWaalsContact CA-O 3.23Å; T317-M321 WeakPolarHBondContact CA-O 3.09Å; T317-V322 HydrophobicContact CG2-CG2 3.96Å
318	D	90.6	Very high	94.7	Very high	106 Å²	106	44 Å²	44	57%	0.567	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	124	167.7	-172.2	20	0	0	0	109	D320 M321 T323	D318-D320 VanDerWaalsContact C-N 3.28Å; D318-D320 PolarHBondContact O-N 3.42Å; D318-D320 VanDerWaalsContact O-N 3.17Å; D318-M321 PolarHBondContact N-O 3.25Å; D318-M321 WeakPolarHBondContact O-CA 3Å; D318-M321 WeakPolarHBondContact O-CB 3.46Å; D318-M321 PolarHBondContact O-N 2.85Å; D318-T323 HydrophobicContact CB-CG2 3.77Å
319	E	84.4	Confident	94.8	Very high	179 Å²	179	44 Å²	44	84%	0.836	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.3	47.7	-176.7	-60	-171.6	165.5	0	0	114.2	M321	E319-M321 PolarHBondContact O-N 2.94Å
320	D	80.8	Confident	94.8	Very high	134 Å²	134	44 Å²	44	72%	0.717	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	-0.2	-176.2	-56.9	-45.2	0	0	0	116.1	P245 D318	P245-D320 WeakPolarHBondContact CB-O 3.28Å; D318-D320 VanDerWaalsContact C-N 3.28Å; D318-D320 PolarHBondContact O-N 3.42Å; D318-D320 VanDerWaalsContact O-N 3.17Å
321	M	89.9	Confident	94.8	Very high	115 Å²	115	44 Å²	44	57%	0.567	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.1	171.3	-61.1	-169.2	-177.3	0	0	110.5	T317 D318 E319 T323	T317-M321 CarbonylContact C-O 3.53Å; T317-M321 VanDerWaalsContact CA-O 3.23Å; T317-M321 WeakPolarHBondContact CA-O 3.09Å; D318-M321 PolarHBondContact N-O 3.25Å; D318-M321 WeakPolarHBondContact O-CA 3Å; D318-M321 WeakPolarHBondContact O-CB 3.46Å; D318-M321 PolarHBondContact O-N 2.85Å; E319-M321 PolarHBondContact O-N 2.94Å; M321-T323 PolarHBondContact O-N 2.78Å
322	V	94.7	Very high	94.7	Very high	5 Å²	5	44 Å²	44	3%	0.03	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	132.1	167.9	-178.7	0	0	0	0	109.6	P245 Y258 Q264 I267 L315 E316 T317	P245-V322 HydrophobicContact CB-CG2 3.84Å; P245-V322 HydrophobicContact CG-CG2 3.47Å; P245-V322 VanDerWaalsContact CG-CG2 3.47Å; Y258-V322 HydrophobicContact CD1-CB 3.94Å; Y258-V322 HydrophobicContact CD1-CG1 4.09Å; Y258-V322 HydrophobicContact CD1-CG2 4.37Å; Y258-V322 HydrophobicContact CD2-CG2 4.3Å; Y258-V322 HydrophobicContact CE1-CB 3.61Å; Y258-V322 HydrophobicContact CE1-CG1 4.27Å; Y258-V322 HydrophobicContact CE1-CG2 3.8Å; Y258-V322 HydrophobicContact CE2-CB 4.3Å; Y258-V322 HydrophobicContact CE2-CG2 3.68Å; Y258-V322 HydrophobicContact CG-CB 4.42Å; Y258-V322 HydrophobicContact CG-CG1 4.22Å; Y258-V322 WeakPolarHBondContact OH-CG2 3.16Å; Q264-V322 PolarHBondContact NE2-O 2.64Å; I267-V322 VanDerWaalsContact CD1-C 3.42Å; I267-V322 HydrophobicContact CD1-CB 4.19Å; I267-V322 HydrophobicContact CD1-CG1 3.8Å; I267-V322 WeakPolarHBondContact CD1-O 2.93Å; L315-V322 HydrophobicContact CB-CG1 4.04Å; L315-V322 HydrophobicContact CB-CG2 4.3Å; L315-V322 HydrophobicContact CD1-CG2 4.18Å; L315-V322 HydrophobicContact CD2-CG1 4.23Å; L315-V322 HydrophobicContact CG-CG1 4.49Å; E316-V322 CarbonylContact O-C 3.53Å; E316-V322 VanDerWaalsContact O-CA 3.28Å; E316-V322 WeakPolarHBondContact O-CA 3.3Å; T317-V322 HydrophobicContact CG2-CG2 3.96Å
323	T	94.8	Very high	94.7	Very high	74 Å²	74	43.8 Å²	43.8	45%	0.454	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-21.9	179.6	53.3	0	0	0	0	112.6	I267 E316 D318 M321	I267-T323 VanDerWaalsContact CD1-C 3.45Å; E316-T323 PolarHBondContact O-N 2.82Å; E316-T323 PolarHBondContact O-OG1 2.8Å; D318-T323 HydrophobicContact CB-CG2 3.77Å; M321-T323 PolarHBondContact O-N 2.78Å
324	E	96.6	Very high	94.6	Very high	26 Å²	26	44.2 Å²	44.2	12%	0.121	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	140.5	-173.1	-157.7	-175.7	158.1	0	0	111.1	L315 E316 R326 S374 S375 A376	L315-E324 WeakPolarHBondContact CA-O 3.31Å; E316-E324 HydrophobicContact CB-CB 3.8Å; E316-E324 HydrophobicContact CG-CB 4.07Å; E316-E324 PolarHBondContact N-O 2.74Å; E324-R326 HydrophobicContact CG-CG 4.18Å; E324-R326 WeakPolarHBondContact OE1-CG 3.45Å; E324-R326 IonicContact OE1-CZ 2.73Å; E324-R326 IonicContact OE1-NE 3.23Å; E324-R326 PolarHBondContact OE1-NE 3.35Å; E324-R326 IonicContact OE1-NH2 3.44Å; E324-R326 PolarHBondContact OE1-NH2 3.28Å; E324-R326 IonicContact OE2-CZ 3.66Å; E324-R326 IonicContact OE2-NE 2.79Å; E324-R326 PolarHBondContact OE2-NE 3.41Å; E324-R326 VanDerWaalsContact OE2-NE 3.15Å; E324-R326 IonicContact OE2-NH2 2.86Å; E324-R326 PolarHBondContact OE2-NH2 3.1Å; E324-S374 WeakPolarHBondContact CG-OG 3.43Å; E324-S374 WeakPolarHBondContact OE1-CB 3.37Å; E324-S374 PolarHBondContact OE1-OG 3.32Å; E324-S375 WeakPolarHBondContact CA-OG 3.46Å; E324-A376 HydrophobicContact CG-CB 4.18Å
325	I	97.8	Very high	94.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.9	162.6	-56.8	172.3	0	0	0	107.4	L249 I256 I267 C269 I313 L315 L327 S374 S375	L249-I325 HydrophobicContact CD2-CD1 4.14Å; I256-I325 HydrophobicContact CG2-CG2 4.31Å; I267-I325 HydrophobicContact CB-CD1 4.4Å; I267-I325 HydrophobicContact CB-CG1 4.41Å; I267-I325 HydrophobicContact CG2-CD1 4.07Å; I267-I325 HydrophobicContact CG2-CG1 3.8Å; I267-I325 WeakPolarHBondContact O-CD1 3.19Å; C269-I325 HydrophobicContact CB-CB 4.15Å; C269-I325 HydrophobicContact CB-CG2 4.28Å; I313-I325 HydrophobicContact CG2-CG2 3.73Å; L315-I325 HydrophobicContact CD2-CB 4.32Å; L315-I325 HydrophobicContact CD2-CG1 3.8Å; L315-I325 HydrophobicContact CD2-CG2 4.28Å; I325-L327 HydrophobicContact CG2-CD1 3.73Å; I325-S374 WeakPolarHBondContact O-CA 3.01Å; I325-S375 PolarHBondContact N-OG 3.32Å; I325-S375 PolarHBondContact O-N 3.47Å
326	R	97.5	Very high	94.6	Very high	66 Å²	66	42.9 Å²	42.9	25%	0.249	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134.9	174.4	-66	177	-179.8	-146.5	8.2	110.6	I313 T314 E316 E324 E372 F373	I313-R326 VanDerWaalsContact CA-O 3.27Å; I313-R326 WeakPolarHBondContact CA-O 3.47Å; T314-R326 PolarHBondContact N-O 2.72Å; T314-R326 PolarHBondContact O-N 2.77Å; T314-R326 WeakPolarHBondContact OG1-CB 3.32Å; E316-R326 IonicContact OE1-CZ 2.67Å; E316-R326 IonicContact OE1-NE 2.96Å; E324-R326 HydrophobicContact CG-CG 4.18Å; E324-R326 WeakPolarHBondContact OE1-CG 3.45Å; E324-R326 IonicContact OE1-CZ 2.73Å; E324-R326 IonicContact OE1-NE 3.23Å; E324-R326 PolarHBondContact OE1-NE 3.35Å; E324-R326 IonicContact OE1-NH2 3.44Å; E324-R326 PolarHBondContact OE1-NH2 3.28Å; E324-R326 IonicContact OE2-CZ 3.66Å; E324-R326 IonicContact OE2-NE 2.79Å; E324-R326 PolarHBondContact OE2-NE 3.41Å; E324-R326 VanDerWaalsContact OE2-NE 3.15Å; E324-R326 IonicContact OE2-NH2 2.86Å; E324-R326 PolarHBondContact OE2-NH2 3.1Å; R326-E372 HydrophobicContact CB-CG 4.28Å; R326-E372 WeakPolarHBondContact CD-OE2 3.46Å; R326-E372 IonicContact CZ-OE2 3.82Å; R326-E372 IonicContact NE-OE2 2.87Å; R326-E372 IonicContact NH1-OE2 3.75Å; R326-E372 PolarHBondContact NH1-OE2 2.94Å; R326-F373 CarbonylContact C-O 3.55Å; R326-F373 VanDerWaalsContact CA-O 3.22Å; R326-F373 WeakPolarHBondContact CA-O 3.09Å
327	L	97.5	Very high	94.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.6	175.9	-70.1	90.4	0	0	0	109.2	I256 C269 P272 F287 F311 K312 I313 I325 F373	I256-L327 HydrophobicContact CG2-CD1 4.11Å; I256-L327 HydrophobicContact CG2-CD2 4.35Å; C269-L327 HydrophobicContact CB-CD1 3.81Å; C269-L327 WeakPolarHBondContact SG-CD1 3.38Å; P272-L327 HydrophobicContact CG-CB 4.43Å; F287-L327 HydrophobicContact CE2-CD2 4.26Å; F287-L327 HydrophobicContact CZ-CD2 3.9Å; F311-L327 HydrophobicContact CB-CD2 4.46Å; F311-L327 HydrophobicContact CD1-CB 4.34Å; K312-L327 WeakPolarHBondContact O-CA 3.44Å; I313-L327 HydrophobicContact CD1-CD2 4.2Å; I313-L327 HydrophobicContact CD1-CG 4.41Å; I313-L327 HydrophobicContact CG1-CD2 4.37Å; I313-L327 HydrophobicContact CG1-CG 4.17Å; I325-L327 HydrophobicContact CG2-CD1 3.73Å; L327-F373 HydrophobicContact CB-CB 4.49Å; L327-F373 PolarHBondContact N-O 2.79Å; L327-F373 WeakPolarHBondContact O-CD2 3.33Å; L327-F373 PolarHBondContact O-N 3.49Å
328	K	97.3	Very high	95	Very high	17 Å²	17	38.5 Å²	38.5	7%	0.074	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.4	174.9	-166.4	169.4	-177.1	-173.3	0	109.6	F311 K312 F330 G365 D366 D368 E370 E372	F311-K328 CarbonylContact C-O 3.56Å; F311-K328 WeakPolarHBondContact CA-O 3.35Å; K312-K328 PolarHBondContact N-O 3.43Å; K312-K328 PolarHBondContact O-N 2.71Å; K328-F330 PolarHBondContact O-N 3.34Å; K328-G365 WeakPolarHBondContact CD-O 3.46Å; K328-G365 VanDerWaalsContact CE-O 3.24Å; K328-G365 WeakPolarHBondContact CE-O 3.25Å; K328-G365 PolarHBondContact NZ-O 2.86Å; K328-D366 PolarHBondContact NZ-O 3.43Å; K328-D368 WeakPolarHBondContact CE-OD1 3.32Å; K328-D368 IonicContact NZ-OD1 3.84Å; K328-D368 PolarHBondContact NZ-OD1 2.89Å; K328-E370 VanDerWaalsContact CE-O 3.24Å; K328-E370 WeakPolarHBondContact CE-O 3.42Å; K328-E370 HydrophobicContact CG-CB 4.4Å; K328-E372 HydrophobicContact CD-CB 4.4Å
329	Y	97.5	Very high	95.4	Very high	1 Å²	1	34 Å²	34	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	125.8	178.8	172.1	-109.5	0	0	0	109.6	D309 T332 F387 R390	D309-Y329 HydrophobicContact CB-CE2 4.19Å; Y329-T332 PolarHBondContact OH-N 3.29Å; Y329-T332 VanDerWaalsContact OH-N 3.1Å; Y329-T332 PolarHBondContact OH-OG1 3.3Å; Y329-F387 AromaticContact CD1-CD2 3.98Å; Y329-F387 HydrophobicContact CD1-CD2 3.98Å; Y329-F387 HydrophobicContact CD1-CE2 4.36Å; Y329-F387 AromaticContact CD2-CD2 3.55Å; Y329-F387 HydrophobicContact CD2-CD2 3.55Å; Y329-F387 AromaticContact CD2-CE2 3.29Å; Y329-F387 HydrophobicContact CD2-CE2 3.29Å; Y329-F387 HydrophobicContact CD2-CZ 4.09Å; Y329-F387 HydrophobicContact CE1-CD2 4.47Å; Y329-F387 HydrophobicContact CE2-CD2 4.08Å; Y329-F387 AromaticContact CE2-CE2 3.49Å; Y329-F387 HydrophobicContact CE2-CE2 3.49Å; Y329-F387 VanDerWaalsContact CE2-CE2 3.49Å; Y329-F387 HydrophobicContact CE2-CZ 4.35Å; Y329-F387 AromaticContact CG-CD2 3.49Å; Y329-F387 HydrophobicContact CG-CD2 3.49Å; Y329-F387 VanDerWaalsContact CG-CD2 3.49Å; Y329-F387 AromaticContact CG-CE2 3.78Å; Y329-F387 HydrophobicContact CG-CE2 3.78Å; Y329-F387 HydrophobicContact CG-CG 4.34Å; Y329-R390 HydrophobicContact CE1-CG 3.91Å
330	F	97.5	Very high	96	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-62.6	-172.9	-168.7	-103.4	0	0	0	111	L302 I310 K312 K328 I361 R390 N394 L395	L302-F330 HydrophobicContact CD1-CE1 4.37Å; L302-F330 HydrophobicContact CD2-CD1 4.08Å; L302-F330 HydrophobicContact CD2-CD2 4.16Å; L302-F330 HydrophobicContact CD2-CE1 4.28Å; L302-F330 HydrophobicContact CD2-CE2 4.37Å; L302-F330 HydrophobicContact CD2-CG 4.01Å; L302-F330 HydrophobicContact CD2-CZ 4.42Å; I310-F330 HydrophobicContact CB-CB 4.29Å; I310-F330 HydrophobicContact CG2-CB 3.98Å; I310-F330 HydrophobicContact CG2-CD1 4.14Å; I310-F330 HydrophobicContact CG2-CG 4.39Å; I310-F330 WeakPolarHBondContact O-CA 3.25Å; I310-F330 VanDerWaalsContact O-CB 3.27Å; I310-F330 WeakPolarHBondContact O-CB 3.22Å; I310-F330 PolarHBondContact O-N 2.93Å; K312-F330 HydrophobicContact CB-CD2 4.23Å; K328-F330 PolarHBondContact O-N 3.34Å; F330-I361 HydrophobicContact CZ-CG2 4.22Å; F330-R390 PolarHBondContact O-NH2 3.34Å; F330-N394 HydrophobicContact CD1-CB 4.19Å; F330-N394 HydrophobicContact CD2-CB 4.1Å; F330-N394 HydrophobicContact CE1-CB 3.78Å; F330-N394 HydrophobicContact CE2-CB 3.68Å; F330-N394 HydrophobicContact CG-CB 4.34Å; F330-N394 HydrophobicContact CZ-CB 3.51Å; F330-N394 PolarHBondContact O-ND2 2.98Å; F330-L395 HydrophobicContact CD1-CG 4.36Å; F330-L395 HydrophobicContact CE1-CD1 4.28Å; F330-L395 HydrophobicContact CE1-CD2 3.76Å; F330-L395 HydrophobicContact CE1-CG 3.77Å; F330-L395 HydrophobicContact CZ-CD2 4.49Å
331	D	97.5	Very high	96.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	164.3	177.4	-91.8	-27.6	0	0	0	109.9	I310 R390 L392 K393 N394 L395	I310-D331 WeakPolarHBondContact CA-O 3.29Å; I310-D331 VanDerWaalsContact CB-O 3.31Å; I310-D331 WeakPolarHBondContact CB-O 3.39Å; I310-D331 PolarHBondContact N-O 3.43Å; D331-R390 IonicContact OD1-CZ 3.75Å; D331-R390 IonicContact OD1-NH1 2.75Å; D331-R390 PolarHBondContact OD1-NH1 3.38Å; D331-R390 IonicContact OD1-NH2 3.97Å; D331-L392 HydrophobicContact CB-CD2 3.74Å; D331-L392 WeakPolarHBondContact OD1-CA 3.22Å; D331-K393 PolarHBondContact OD1-N 2.92Å; D331-K393 PolarHBondContact OD2-N 3.24Å; D331-N394 WeakPolarHBondContact OD2-CA 3.28Å; D331-N394 WeakPolarHBondContact OD2-CB 3.09Å; D331-N394 PolarHBondContact OD2-N 2.7Å; D331-L395 HydrophobicContact CB-CD1 4.02Å; D331-L395 HydrophobicContact CB-CG 4.3Å; D331-L395 WeakPolarHBondContact OD2-CB 3.48Å; D331-L395 PolarHBondContact OD2-N 3.03Å
332	T	97.7	Very high	97	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.006	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.4	172.2	-56.8	0	0	0	0	110.1	D309 Y329 L392 F852	D309-T332 PolarHBondContact OD1-OG1 2.97Å; Y329-T332 PolarHBondContact OH-N 3.29Å; Y329-T332 VanDerWaalsContact OH-N 3.1Å; Y329-T332 PolarHBondContact OH-OG1 3.3Å; T332-L392 WeakPolarHBondContact O-CD2 3.48Å; T332-F852 HydrophobicContact CG2-CD1 3.78Å; T332-F852 HydrophobicContact CG2-CE1 4.35Å
333	V	97.4	Very high	96.8	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	11%	0.113	C	C	.	.			trans	-133.1	166.1	173.7	-55.6	0	0	0	0	109.6	Q304 G308 I310 V335 V349 Y359 L392 L395	Q304-V333 VanDerWaalsContact NE2-CG2 3.34Å; Q304-V333 PolarHBondContact NE2-O 3.48Å; G308-V333 CarbonylContact C-O 3.53Å; G308-V333 WeakPolarHBondContact CA-O 3.32Å; G308-V333 PolarHBondContact O-N 2.82Å; I310-V333 HydrophobicContact CD1-CG1 4.3Å; I310-V333 HydrophobicContact CD1-CG2 3.53Å; I310-V333 HydrophobicContact CG1-CG2 4.15Å; V333-V335 PolarHBondContact O-N 2.93Å; V333-V349 HydrophobicContact CG2-CG1 4.03Å; V333-V349 HydrophobicContact CG2-CG2 4.18Å; V333-Y359 HydrophobicContact CB-CE2 4.18Å; V333-Y359 HydrophobicContact CG1-CD2 4.49Å; V333-Y359 HydrophobicContact CG1-CE1 4.28Å; V333-Y359 HydrophobicContact CG1-CE2 3.82Å; V333-L392 HydrophobicContact CG1-CD2 4.34Å; V333-L395 HydrophobicContact CG1-CD1 3.76Å
334	P	96.2	Very high	96.5	Very high	9 Å²	9	21.9 Å²	21.9	6%	0.058	12%	0.115	C	C	.	.			trans	-54.5	141.5	174.9	-30.3	40.7	0	0	0	112.5	Q304 A336 Y357	Q304-P334 PolarHBondContact NE2-O 3.27Å; P334-A336 PolarHBondContact O-N 2.78Å; P334-Y357 HydrophobicContact CB-CE2 4.18Å; P334-Y357 HydrophobicContact CG-CD2 4.11Å; P334-Y357 HydrophobicContact CG-CE2 3.6Å
335	V	97.1	Very high	96.4	Very high	16 Å²	16	21.9 Å²	21.9	10%	0.097	12%	0.122	C	C	.	.			trans	-55.8	127	-179.9	-176.8	0	0	0	0	110.1	V288 E306 V333 S351 E352	V288-V335 HydrophobicContact CG2-CG1 3.91Å; E306-V335 VanDerWaalsContact O-CG2 3.32Å; E306-V335 WeakPolarHBondContact O-CG2 3.32Å; V333-V335 PolarHBondContact O-N 2.93Å; V335-S351 CarbonylContact O-C 3.55Å; V335-S351 WeakPolarHBondContact O-CA 3.24Å; V335-E352 HydrophobicContact CG1-CG 4.19Å; V335-E352 PolarHBondContact O-N 3.04Å
336	A	97.8	Very high	96.3	Very high	2 Å²	2	22.3 Å²	22.3	2%	0.017	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	138.7	-170.4	0	0	0	0	0	112.3	Q304 P334 A338 M339 V349 A350	Q304-A336 VanDerWaalsContact OE1-CB 3.26Å; P334-A336 PolarHBondContact O-N 2.78Å; A336-A338 VanDerWaalsContact C-N 3.33Å; A336-M339 HydrophobicContact CB-CG 3.95Å; A336-V349 HydrophobicContact CB-CG1 3.77Å; A336-A350 CarbonylContact C-O 3.56Å; A336-A350 WeakPolarHBondContact CA-O 3.45Å
337	A	96.7	Very high	96.3	Very high	43 Å²	43	19.1 Å²	19.1	36%	0.355	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-25.9	162.6	0	0	0	0	0	111.9	A350 E352	A337-A350 PolarHBondContact N-O 3.4Å; A337-E352 HydrophobicContact CB-CG 4.37Å
338	A	97.8	Very high	96.4	Very high	12 Å²	12	19.1 Å²	19.1	10%	0.099	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	146.4	174.7	0	0	0	0	0	111.7	A17 A336 A350	A17-A338 HydrophobicContact CB-CB 3.72Å; A336-A338 VanDerWaalsContact C-N 3.33Å; A338-A350 HydrophobicContact CB-CB 4.29Å; A338-A350 PolarHBondContact O-N 3.25Å
339	M	98.3	Very high	96.4	Very high	12 Å²	12	18.3 Å²	18.3	6%	0.059	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.5	172.2	-72.5	-167.6	-62.2	0	0	110.3	C289 A291 L302 Q304 I310 A336 L347 F348	C289-M339 HydrophobicContact CB-CE 4.34Å; C289-M339 PolarHBondContact SG-N 2.88Å; C289-M339 VanDerWaalsContact SG-N 3.4Å; A291-M339 HydrophobicContact CB-CB 3.86Å; L302-M339 WeakPolarHBondContact O-CE 3.33Å; Q304-M339 HydrophobicContact CB-CE 3.85Å; Q304-M339 HydrophobicContact CB-SD 4.3Å; I310-M339 HydrophobicContact CD1-SD 3.95Å; I310-M339 HydrophobicContact CG1-SD 4.44Å; A336-M339 HydrophobicContact CB-CG 3.95Å; M339-L347 HydrophobicContact CB-CD1 4.12Å; M339-L347 HydrophobicContact CG-CD1 4.49Å; M339-L347 HydrophobicContact SD-CD1 4.46Å; M339-F348 CarbonylContact C-O 3.49Å; M339-F348 WeakPolarHBondContact CA-O 3.24Å
340	C	97.7	Very high	96.4	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.02	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	109.2	178.1	-73.6	0	0	0	0	110.6	H19 F348	H19-C340 HydrophobicContact CB-CB 4.04Å; C340-F348 HydrophobicContact CB-CB 4.2Å; C340-F348 PolarHBondContact N-O 3.39Å; C340-F348 PolarHBondContact O-N 3.28Å
341	V	96.5	Very high	96.4	Very high	7 Å²	7	18.2 Å²	18.2	4%	0.042	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	115.7	172.7	179.3	0	0	0	0	109.5	H19 A291 H293 L302 L347 I361	H19-V341 PolarHBondContact NE2-O 3.24Å; A291-V341 HydrophobicContact CB-CB 4.49Å; A291-V341 HydrophobicContact CB-CG2 3.64Å; H293-V341 HydrophobicContact CB-CG1 4.07Å; H293-V341 VanDerWaalsContact ND1-CG1 3.27Å; H293-V341 WeakPolarHBondContact ND1-CG1 3.42Å; L302-V341 HydrophobicContact CD1-CG2 4.1Å; V341-L347 HydrophobicContact CG2-CD1 3.71Å; V341-I361 HydrophobicContact CG1-CD1 4.06Å
342	L	94.4	Very high	96.4	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	13%	0.126	C	C	.	.			trans	-90.2	148.4	178.9	-51.9	-175.4	0	0	0	111.2	H19 Q28 I30 P43 T344 G345 F346	H19-L342 HydrophobicContact CB-CD2 3.59Å; Q28-L342 HydrophobicContact CB-CD2 4.31Å; I30-L342 HydrophobicContact CD1-CD1 4.25Å; I30-L342 HydrophobicContact CG1-CD2 4.18Å; P43-L342 HydrophobicContact CB-CD1 4.34Å; P43-L342 HydrophobicContact CG-CD1 3.76Å; L342-T344 PolarHBondContact O-N 2.94Å; L342-G345 PolarHBondContact O-N 3.37Å; L342-F346 HydrophobicContact CB-CB 4.38Å; L342-F346 HydrophobicContact CD1-CB 4.16Å; L342-F346 HydrophobicContact CG-CB 4.43Å; L342-F346 PolarHBondContact N-O 3.33Å
343	K	90.7	Very high	96.2	Very high	162 Å²	162	25.6 Å²	25.6	70%	0.704	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.9	176.2	-69.8	178.3	179.9	178.5	0	113.5	G345	K343-G345 PolarHBondContact O-N 3.23Å
344	T	89.9	Confident	96.1	Very high	78 Å²	78	25.9 Å²	25.9	48%	0.479	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	2.2	174.1	44.2	0	0	0	0	113.1	P45 L342 F346	P45-T344 HydrophobicContact CB-CG2 4.38Å; L342-T344 PolarHBondContact O-N 2.94Å; T344-F346 WeakPolarHBondContact OG1-CD2 3.41Å
345	G	93.2	Very high	96.1	Very high	26 Å²	26	26 Å²	26	27%	0.268	15%	0.145	S	C	.	.	S	Bend	trans	87.4	21.6	177.3	0	0	0	0	0	114.1	L342 K343 I361	L342-G345 PolarHBondContact O-N 3.37Å; K343-G345 PolarHBondContact O-N 3.23Å; G345-I361 PolarHBondContact O-N 3.21Å
346	F	96.5	Very high	96.2	Very high	9 Å²	9	25.3 Å²	25.3	4%	0.039	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	149.8	173.8	-63.3	-74.8	0	0	0	112.1	L342 T344 L358 Y359 Q360 V398	L342-F346 HydrophobicContact CB-CB 4.38Å; L342-F346 HydrophobicContact CD1-CB 4.16Å; L342-F346 HydrophobicContact CG-CB 4.43Å; L342-F346 PolarHBondContact N-O 3.33Å; T344-F346 WeakPolarHBondContact OG1-CD2 3.41Å; F346-L358 HydrophobicContact CB-CD1 3.91Å; F346-L358 HydrophobicContact CB-CD2 4.48Å; F346-L358 HydrophobicContact CB-CG 4.23Å; F346-L358 HydrophobicContact CD1-CD2 3.83Å; F346-L358 HydrophobicContact CD1-CG 4.07Å; F346-L358 HydrophobicContact CE1-CD2 4.22Å; F346-L358 HydrophobicContact CG-CD1 4.41Å; F346-L358 HydrophobicContact CG-CD2 4.11Å; F346-L358 HydrophobicContact CG-CG 4.32Å; F346-Y359 CarbonylContact C-O 3.55Å; F346-Y359 WeakPolarHBondContact CA-O 3.2Å; F346-Y359 WeakPolarHBondContact CD1-O 3.24Å; F346-Q360 HydrophobicContact CD1-CB 4.01Å; F346-Q360 HydrophobicContact CE1-CB 3.96Å; F346-Q360 HydrophobicContact CE1-CG 4.33Å; F346-V398 HydrophobicContact CE1-CG2 4.2Å
347	L	97.8	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	112	168	173.7	65.3	0	0	0	108.4	L302 I310 M339 V341 V349 Y359 I361 L395	L302-L347 HydrophobicContact CD1-CD1 4.47Å; L302-L347 HydrophobicContact CD1-CD2 4.2Å; I310-L347 HydrophobicContact CD1-CD2 4.15Å; M339-L347 HydrophobicContact CB-CD1 4.12Å; M339-L347 HydrophobicContact CG-CD1 4.49Å; M339-L347 HydrophobicContact SD-CD1 4.46Å; V341-L347 HydrophobicContact CG2-CD1 3.71Å; L347-V349 HydrophobicContact CD2-CG2 4.09Å; L347-V349 HydrophobicContact CG-CG2 3.91Å; L347-Y359 PolarHBondContact N-O 3.18Å; L347-Y359 PolarHBondContact O-N 3.49Å; L347-I361 HydrophobicContact CB-CD1 4.27Å; L347-I361 HydrophobicContact CB-CG1 4.2Å; L347-L395 HydrophobicContact CB-CD2 4.35Å; L347-L395 HydrophobicContact CD2-CD1 3.9Å; L347-L395 HydrophobicContact CD2-CD2 3.99Å
348	F	98.3	Very high	96.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125.4	170.5	179.8	-110	0	0	0	110.2	I14 A17 I30 V32 L41 M339 C340 A350 H356 L358 L401	I14-F348 HydrophobicContact CD1-CE1 4.29Å; I14-F348 HydrophobicContact CD1-CZ 3.92Å; A17-F348 HydrophobicContact CB-CD1 4.47Å; A17-F348 HydrophobicContact CB-CE1 4.21Å; I30-F348 HydrophobicContact CD1-CB 3.59Å; I30-F348 HydrophobicContact CD1-CD1 3.88Å; I30-F348 HydrophobicContact CD1-CD2 4.15Å; I30-F348 HydrophobicContact CD1-CG 3.61Å; I30-F348 HydrophobicContact CG2-CD1 4.02Å; I30-F348 HydrophobicContact CG2-CE1 4.15Å; V32-F348 HydrophobicContact CG1-CE1 4.1Å; L41-F348 HydrophobicContact CD1-CZ 4.24Å; M339-F348 CarbonylContact C-O 3.49Å; M339-F348 WeakPolarHBondContact CA-O 3.24Å; C340-F348 HydrophobicContact CB-CB 4.2Å; C340-F348 PolarHBondContact N-O 3.39Å; C340-F348 PolarHBondContact O-N 3.28Å; F348-A350 HydrophobicContact CE1-CB 3.99Å; F348-H356 HydrophobicContact CE2-CB 4.35Å; F348-H356 HydrophobicContact CZ-CB 4.28Å; F348-L358 HydrophobicContact CB-CD1 3.87Å; F348-L358 HydrophobicContact CD2-CD1 4.14Å; F348-L401 HydrophobicContact CE2-CD1 3.76Å; F348-L401 HydrophobicContact CZ-CD1 4.02Å
349	V	98.5	Very high	96.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	103.5	-178.3	179.1	0	0	0	0	108.6	V333 A336 L347 S351 Y357 Y359	V333-V349 HydrophobicContact CG2-CG1 4.03Å; V333-V349 HydrophobicContact CG2-CG2 4.18Å; A336-V349 HydrophobicContact CB-CG1 3.77Å; L347-V349 HydrophobicContact CD2-CG2 4.09Å; L347-V349 HydrophobicContact CG-CG2 3.91Å; V349-S351 PolarHBondContact O-N 2.93Å; V349-Y357 PolarHBondContact N-O 3.15Å; V349-Y357 PolarHBondContact O-N 3.26Å; V349-Y359 HydrophobicContact CB-CD2 4.42Å; V349-Y359 HydrophobicContact CB-CE2 4.05Å; V349-Y359 HydrophobicContact CG2-CD2 3.73Å; V349-Y359 HydrophobicContact CG2-CE2 3.68Å
350	A	98.1	Very high	96.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	86.5	173.4	0	0	0	0	0	109.5	I14 A17 A336 A337 A338 F348	I14-A350 HydrophobicContact CB-CB 4.12Å; I14-A350 HydrophobicContact CD1-CB 4.21Å; I14-A350 HydrophobicContact CG2-CB 3.78Å; A17-A350 HydrophobicContact CB-CB 4.29Å; A336-A350 CarbonylContact C-O 3.56Å; A336-A350 WeakPolarHBondContact CA-O 3.45Å; A337-A350 PolarHBondContact N-O 3.4Å; A338-A350 HydrophobicContact CB-CB 4.29Å; A338-A350 PolarHBondContact O-N 3.25Å; F348-A350 HydrophobicContact CE1-CB 3.99Å
351	S	97.4	Very high	96.1	Very high	1 Å²	1	30 Å²	30	1%	0.007	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	143.3	178.5	-47.2	0	0	0	0	113.2	V335 V349 F353 N355 H356 Y357	V335-S351 CarbonylContact O-C 3.55Å; V335-S351 WeakPolarHBondContact O-CA 3.24Å; V349-S351 PolarHBondContact O-N 2.93Å; S351-F353 VanDerWaalsContact C-N 3.33Å; S351-F353 PolarHBondContact O-N 2.92Å; S351-N355 WeakPolarHBondContact CB-O 3.22Å; S351-N355 PolarHBondContact OG-O 3.28Å; S351-H356 PolarHBondContact N-ND1 2.98Å; S351-H356 VanDerWaalsContact N-ND1 3.13Å; S351-H356 PolarHBondContact O-CE1 2.85Å; S351-H356 PolarHBondContact O-ND1 3.24Å; S351-Y357 WeakPolarHBondContact OG-CD2 3.25Å
352	E	95.6	Very high	96.1	Very high	82 Å²	82	32 Å²	32	38%	0.383	17%	0.168	S	C	.	.	S	Bend	trans	-62.8	-40.3	175.3	-66.4	-173.2	150.2	0	0	112.5	V335 A337	V335-E352 HydrophobicContact CG1-CG 4.19Å; V335-E352 PolarHBondContact O-N 3.04Å; A337-E352 HydrophobicContact CB-CG 4.37Å
353	F	95.1	Very high	96.1	Very high	73 Å²	73	37.5 Å²	37.5	32%	0.32	19%	0.193	S	C	.	.	S	Bend	trans	-138.7	140.7	-177.7	-49.6	-66.4	0	0	0	109.9	S351 P406 R429	S351-F353 VanDerWaalsContact C-N 3.33Å; S351-F353 PolarHBondContact O-N 2.92Å; F353-P406 HydrophobicContact CD1-CG 4.24Å; F353-R429 HydrophobicContact CB-CB 4.27Å; F353-R429 HydrophobicContact CD2-CB 4.43Å; F353-R429 HydrophobicContact CG-CB 4.35Å
354	G	94.6	Very high	96.2	Very high	7 Å²	7	32.8 Å²	32.8	7%	0.072	18%	0.175	C	C	.	.	S	Bend	trans	78	-160.8	-174.6	0	0	0	0	0	112.4	S403 S405	G354-S403 WeakPolarHBondContact O-CB 3.32Å; G354-S403 PolarHBondContact O-OG 2.87Å; G354-S405 PolarHBondContact N-O 3.5Å
355	N	96.7	Very high	96.2	Very high	13 Å²	13	29.3 Å²	29.3	7%	0.07	16%	0.155	C	C	.	.			trans	-64.6	156.9	-173.8	-69.8	0.6	0	0	0	112.4	S351 Y357 E400 L401 D402 S403 R436	S351-N355 WeakPolarHBondContact CB-O 3.22Å; S351-N355 PolarHBondContact OG-O 3.28Å; N355-Y357 HydrophobicContact CB-CE1 4.37Å; N355-Y357 HydrophobicContact CB-CE2 4.37Å; N355-Y357 WeakPolarHBondContact O-CE2 2.97Å; N355-E400 HydrophobicContact CB-CG 3.86Å; N355-E400 WeakPolarHBondContact CB-OE1 3.36Å; N355-E400 PolarHBondContact ND2-OE1 2.86Å; N355-L401 WeakPolarHBondContact CA-O 3.36Å; N355-L401 WeakPolarHBondContact CB-O 3.45Å; N355-D402 PolarHBondContact ND2-OD1 2.87Å; N355-D402 WeakPolarHBondContact OD1-CA 3.32Å; N355-S403 PolarHBondContact OD1-N 2.96Å; N355-S403 PolarHBondContact OD1-O 3.23Å; N355-R436 PolarHBondContact ND2-NH2 3.26Å; N355-R436 PolarHBondContact OD1-NH2 2.89Å
356	H	97.8	Very high	95.9	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	153.7	174.4	-45.4	-69.7	0	0	0	109.7	T12 I14 F348 S351 E400 L401	T12-H356 PolarHBondContact O-NE2 2.9Å; I14-H356 HydrophobicContact CD1-CB 4.39Å; I14-H356 VanDerWaalsContact CD1-CD2 3.48Å; I14-H356 WeakPolarHBondContact CD1-CD2 3.45Å; F348-H356 HydrophobicContact CE2-CB 4.35Å; F348-H356 HydrophobicContact CZ-CB 4.28Å; S351-H356 PolarHBondContact N-ND1 2.98Å; S351-H356 VanDerWaalsContact N-ND1 3.13Å; S351-H356 PolarHBondContact O-CE1 2.85Å; S351-H356 PolarHBondContact O-ND1 3.24Å; H356-E400 WeakPolarHBondContact O-CA 3.48Å; H356-L401 HydrophobicContact CB-CB 4.18Å; H356-L401 PolarHBondContact N-O 2.65Å; H356-L401 PolarHBondContact O-N 2.93Å
357	Y	97.9	Very high	95.2	Very high	37 Å²	37	39.9 Å²	39.9	15%	0.145	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139.3	-165.6	-58.5	-81.6	0	0	0	111.8	P334 V349 S351 N355 Y359 L397 E400	P334-Y357 HydrophobicContact CB-CE2 4.18Å; P334-Y357 HydrophobicContact CG-CD2 4.11Å; P334-Y357 HydrophobicContact CG-CE2 3.6Å; V349-Y357 PolarHBondContact N-O 3.15Å; V349-Y357 PolarHBondContact O-N 3.26Å; S351-Y357 WeakPolarHBondContact OG-CD2 3.25Å; N355-Y357 HydrophobicContact CB-CE1 4.37Å; N355-Y357 HydrophobicContact CB-CE2 4.37Å; N355-Y357 WeakPolarHBondContact O-CE2 2.97Å; Y357-Y359 HydrophobicContact CG-CE2 4.19Å; Y357-L397 HydrophobicContact CD1-CD1 3.72Å; Y357-L397 HydrophobicContact CG-CD1 4.35Å; Y357-E400 HydrophobicContact CD1-CB 4.37Å; Y357-E400 HydrophobicContact CD1-CG 4.03Å; Y357-E400 HydrophobicContact CE1-CB 4.49Å; Y357-E400 HydrophobicContact CE1-CG 3.76Å; Y357-E400 VanDerWaalsContact CE1-OE1 3.26Å; Y357-E400 WeakPolarHBondContact CE1-OE1 3.4Å; Y357-E400 PolarHBondContact OH-OE1 3.4Å
358	L	98.1	Very high	94.7	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.9	165.4	-169.4	80.6	0	0	0	108.9	P43 G48 V50 F346 F348 V398 D399	P43-L358 HydrophobicContact CB-CD2 4.03Å; P43-L358 HydrophobicContact CG-CD1 4.34Å; G48-L358 WeakPolarHBondContact O-CD2 3.49Å; V50-L358 HydrophobicContact CG2-CB 4.07Å; V50-L358 HydrophobicContact CG2-CD1 4.43Å; V50-L358 HydrophobicContact CG2-CD2 3.82Å; V50-L358 HydrophobicContact CG2-CG 4.33Å; F346-L358 HydrophobicContact CB-CD1 3.91Å; F346-L358 HydrophobicContact CB-CD2 4.48Å; F346-L358 HydrophobicContact CB-CG 4.23Å; F346-L358 HydrophobicContact CD1-CD2 3.83Å; F346-L358 HydrophobicContact CD1-CG 4.07Å; F346-L358 HydrophobicContact CE1-CD2 4.22Å; F346-L358 HydrophobicContact CG-CD1 4.41Å; F346-L358 HydrophobicContact CG-CD2 4.11Å; F346-L358 HydrophobicContact CG-CG 4.32Å; F348-L358 HydrophobicContact CB-CD1 3.87Å; F348-L358 HydrophobicContact CD2-CD1 4.14Å; L358-V398 PolarHBondContact O-N 2.88Å; L358-D399 HydrophobicContact CB-CB 4.22Å; L358-D399 PolarHBondContact N-O 2.92Å; L358-D399 PolarHBondContact O-N 2.88Å
359	Y	98.2	Very high	94.2	Very high	12 Å²	12	50.3 Å²	50.3	5%	0.047	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	144.5	174.4	-59.2	-86.9	0	0	0	110.6	V333 F346 L347 V349 Y357 L392 L395 V396 L397	V333-Y359 HydrophobicContact CB-CE2 4.18Å; V333-Y359 HydrophobicContact CG1-CD2 4.49Å; V333-Y359 HydrophobicContact CG1-CE1 4.28Å; V333-Y359 HydrophobicContact CG1-CE2 3.82Å; F346-Y359 CarbonylContact C-O 3.55Å; F346-Y359 WeakPolarHBondContact CA-O 3.2Å; F346-Y359 WeakPolarHBondContact CD1-O 3.24Å; L347-Y359 PolarHBondContact N-O 3.18Å; L347-Y359 PolarHBondContact O-N 3.49Å; V349-Y359 HydrophobicContact CB-CD2 4.42Å; V349-Y359 HydrophobicContact CB-CE2 4.05Å; V349-Y359 HydrophobicContact CG2-CD2 3.73Å; V349-Y359 HydrophobicContact CG2-CE2 3.68Å; Y357-Y359 HydrophobicContact CG-CE2 4.19Å; Y359-L392 HydrophobicContact CD1-CD1 4.23Å; Y359-L392 HydrophobicContact CE1-CD1 3.83Å; Y359-L395 HydrophobicContact CD1-CB 4Å; Y359-L395 HydrophobicContact CD2-CD1 4.49Å; Y359-L395 HydrophobicContact CG-CB 4.21Å; Y359-L395 HydrophobicContact CG-CD1 4.23Å; Y359-V396 CarbonylContact C-O 3.58Å; Y359-V396 WeakPolarHBondContact CA-O 3.25Å; Y359-L397 HydrophobicContact CD1-CB 4.04Å; Y359-L397 HydrophobicContact CD1-CD1 4.19Å; Y359-L397 HydrophobicContact CE1-CB 3.93Å; Y359-L397 HydrophobicContact CE1-CD1 3.87Å; Y359-L397 HydrophobicContact CE1-CG 4.46Å
360	Q	97.2	Very high	93.8	Very high	93 Å²	93	51.9 Å²	51.9	44%	0.435	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	133.8	162.1	-177	175.6	18.1	0	0	109.1	F346 A362 L395 V396 V398	F346-Q360 HydrophobicContact CD1-CB 4.01Å; F346-Q360 HydrophobicContact CE1-CB 3.96Å; F346-Q360 HydrophobicContact CE1-CG 4.33Å; Q360-A362 PolarHBondContact O-N 3.48Å; Q360-L395 CarbonylContact O-C 3.52Å; Q360-L395 WeakPolarHBondContact O-CA 3.32Å; Q360-V396 HydrophobicContact CB-CB 4.49Å; Q360-V396 PolarHBondContact N-O 3.3Å; Q360-V396 PolarHBondContact O-N 3.33Å; Q360-V398 HydrophobicContact CB-CG2 3.61Å
361	I	96.2	Very high	93.5	Very high	26 Å²	26	54.5 Å²	54.5	13%	0.133	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	97.7	173.4	-57.9	172	0	0	0	107.3	F330 V341 G345 L347 H363 L364 L395	F330-I361 HydrophobicContact CZ-CG2 4.22Å; V341-I361 HydrophobicContact CG1-CD1 4.06Å; G345-I361 PolarHBondContact O-N 3.21Å; L347-I361 HydrophobicContact CB-CD1 4.27Å; L347-I361 HydrophobicContact CB-CG1 4.2Å; I361-H363 WeakPolarHBondContact CG2-O 3.33Å; I361-L364 HydrophobicContact CG2-CD2 3.99Å; I361-L395 HydrophobicContact CG1-CD2 3.88Å
362	A	95.3	Very high	93.4	Very high	48 Å²	48	57.7 Å²	57.7	40%	0.397	30%	0.295	S	S	.	.			trans	-77.5	-37.8	178.4	0	0	0	0	0	111.8	Q360 N394 V396	Q360-A362 PolarHBondContact O-N 3.48Å; A362-N394 PolarHBondContact N-O 3.33Å; A362-V396 HydrophobicContact CB-CG2 3.98Å
363	H	95.1	Very high	93.4	Very high	117 Å²	117	54.4 Å²	54.4	54%	0.542	28%	0.279	S	S	.	.			trans	-136.4	148.6	-179.1	-59.7	-70.1	0	0	0	110.9	I361 G365 K393 N394	I361-H363 WeakPolarHBondContact CG2-O 3.33Å; H363-G365 VanDerWaalsContact C-N 3.29Å; H363-K393 PolarHBondContact CD2-O 3.25Å; H363-N394 WeakPolarHBondContact CB-OD1 3.26Å; H363-N394 PolarHBondContact N-O 3.08Å
364	L	92.8	Very high	93.5	Very high	63 Å²	63	51.1 Å²	51.1	33%	0.33	27%	0.265	S	S	.	.			trans	-87.6	4.6	176.9	-63.1	-177.3	0	0	0	113.1	F300 K312 I361 D366	F300-L364 HydrophobicContact CE1-CD2 4.07Å; F300-L364 HydrophobicContact CZ-CD2 3.87Å; K312-L364 VanDerWaalsContact CD-O 3.26Å; K312-L364 WeakPolarHBondContact CD-O 3.43Å; K312-L364 PolarHBondContact NZ-O 2.96Å; I361-L364 HydrophobicContact CG2-CD2 3.99Å; L364-D366 VanDerWaalsContact C-N 3.28Å; L364-D366 WeakPolarHBondContact CB-OD2 3.25Å; L364-D366 PolarHBondContact O-N 3.25Å
365	G	89.2	Confident	93.5	Very high	5 Å²	5	52.3 Å²	52.3	5%	0.052	27%	0.272	C	S	.	.	S	Bend	trans	69.7	15.5	-179.9	0	0	0	0	0	115.3	K328 H363 N394	K328-G365 WeakPolarHBondContact CD-O 3.46Å; K328-G365 VanDerWaalsContact CE-O 3.24Å; K328-G365 WeakPolarHBondContact CE-O 3.25Å; K328-G365 PolarHBondContact NZ-O 2.86Å; H363-G365 VanDerWaalsContact C-N 3.29Å; G365-N394 WeakPolarHBondContact CA-OD1 3.21Å; G365-N394 PolarHBondContact N-OD1 3.26Å
366	D	87.5	Confident	93.4	Very high	82 Å²	82	55.2 Å²	55.2	44%	0.439	30%	0.298	S	S	.	.	S	Bend	trans	-78.3	-47.4	-179.5	-66.7	-49.2	0	0	0	111.9	K312 K328 L364 D368	K312-D366 IonicContact NZ-OD1 3.62Å; K312-D366 PolarHBondContact NZ-OD1 2.93Å; K312-D366 IonicContact NZ-OD2 2.68Å; K312-D366 PolarHBondContact NZ-OD2 2.93Å; K328-D366 PolarHBondContact NZ-O 3.43Å; L364-D366 VanDerWaalsContact C-N 3.28Å; L364-D366 WeakPolarHBondContact CB-OD2 3.25Å; L364-D366 PolarHBondContact O-N 3.25Å; D366-D368 PolarHBondContact O-N 2.8Å
367	D	82.3	Confident	93.2	Very high	175 Å²	175	59.4 Å²	59.4	94%	0.936	32%	0.319	S	S	*	.	S	Bend	trans	-99	45.6	-173.1	-58	-51.4	0	0	0	113.6
368	D	86.7	Confident	92.6	Very high	25 Å²	25	63.9 Å²	63.9	13%	0.134	35%	0.353	C	S	.	.	S	Bend	trans	-120.8	167.2	174.1	64.8	21.2	0	0	0	113.2	K328 D366 E370	K328-D368 WeakPolarHBondContact CE-OD1 3.32Å; K328-D368 IonicContact NZ-OD1 3.84Å; K328-D368 PolarHBondContact NZ-OD1 2.89Å; D366-D368 PolarHBondContact O-N 2.8Å; D368-E370 PolarHBondContact O-N 2.64Å; D368-E370 WeakPolarHBondContact OD1-CB 3.34Å; D368-E370 PolarHBondContact OD1-N 2.75Å
369	E	87.9	Confident	92.1	Very high	194 Å²	194	67 Å²	67	91%	0.907	37%	0.369	S	S	*	.	S	Bend	trans	-79.7	7.7	179.7	-59.6	179.4	171.8	0	0	113
370	E	90.5	Very high	91.5	Very high	33 Å²	33	73.8 Å²	73.8	15%	0.154	40%	0.401	C	S	.	.	S	Bend	trans	-70	140.8	178.9	-62.1	-66.5	162.8	0	0	110.2	K328 D368 E372 R390	K328-E370 VanDerWaalsContact CE-O 3.24Å; K328-E370 WeakPolarHBondContact CE-O 3.42Å; K328-E370 HydrophobicContact CG-CB 4.4Å; D368-E370 PolarHBondContact O-N 2.64Å; D368-E370 WeakPolarHBondContact OD1-CB 3.34Å; D368-E370 PolarHBondContact OD1-N 2.75Å; E370-E372 PolarHBondContact O-N 3.27Å; E370-R390 VanDerWaalsContact OE1-CD 3.29Å; E370-R390 WeakPolarHBondContact OE1-CD 3.43Å; E370-R390 IonicContact OE1-CZ 3.64Å; E370-R390 IonicContact OE1-NE 3.19Å; E370-R390 PolarHBondContact OE1-NE 3.13Å; E370-R390 IonicContact OE1-NH2 2.74Å
371	P	92.7	Very high	90.6	Very high	55 Å²	55	79.1 Å²	79.1	36%	0.357	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-64.7	134.2	177.1	27.6	-34.6	0	0	0	110.9	F373	P371-F373 HydrophobicContact CB-CE1 3.76Å; P371-F373 HydrophobicContact CB-CZ 3.75Å; P371-F373 HydrophobicContact CG-CE1 4Å; P371-F373 HydrophobicContact CG-CE2 4.18Å; P371-F373 HydrophobicContact CG-CZ 3.47Å; P371-F373 VanDerWaalsContact CG-CZ 3.47Å
372	E	94.8	Very high	89.7	Confident	69 Å²	69	80.7 Å²	80.7	32%	0.322	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.7	167.7	-175.8	172.5	-92.7	0	0	108.9	R326 K328 E370 M377	R326-E372 HydrophobicContact CB-CG 4.28Å; R326-E372 WeakPolarHBondContact CD-OE2 3.46Å; R326-E372 IonicContact CZ-OE2 3.82Å; R326-E372 IonicContact NE-OE2 2.87Å; R326-E372 IonicContact NH1-OE2 3.75Å; R326-E372 PolarHBondContact NH1-OE2 2.94Å; K328-E372 HydrophobicContact CD-CB 4.4Å; E370-E372 PolarHBondContact O-N 3.27Å; E372-M377 WeakPolarHBondContact O-CE 3.16Å
373	F	95.9	Very high	89.4	Confident	13 Å²	13	82.2 Å²	82.2	6%	0.057	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	141.4	-178.4	-50.5	-65.3	0	0	0	109.8	P272 R326 L327 P371 F385 F386 F387	P272-F373 HydrophobicContact CB-CD2 3.88Å; P272-F373 HydrophobicContact CB-CE2 3.76Å; P272-F373 HydrophobicContact CB-CZ 4.35Å; P272-F373 HydrophobicContact CG-CB 4.34Å; P272-F373 HydrophobicContact CG-CD2 3.33Å; P272-F373 HydrophobicContact CG-CE2 3.75Å; P272-F373 HydrophobicContact CG-CG 3.95Å; R326-F373 CarbonylContact C-O 3.55Å; R326-F373 VanDerWaalsContact CA-O 3.22Å; R326-F373 WeakPolarHBondContact CA-O 3.09Å; L327-F373 HydrophobicContact CB-CB 4.49Å; L327-F373 PolarHBondContact N-O 2.79Å; L327-F373 WeakPolarHBondContact O-CD2 3.33Å; L327-F373 PolarHBondContact O-N 3.49Å; P371-F373 HydrophobicContact CB-CE1 3.76Å; P371-F373 HydrophobicContact CB-CZ 3.75Å; P371-F373 HydrophobicContact CG-CE1 4Å; P371-F373 HydrophobicContact CG-CE2 4.18Å; P371-F373 HydrophobicContact CG-CZ 3.47Å; P371-F373 VanDerWaalsContact CG-CZ 3.47Å; F373-F385 HydrophobicContact CB-CB 4.28Å; F373-F385 HydrophobicContact CB-CD1 4.27Å; F373-F385 HydrophobicContact CB-CD2 3.66Å; F373-F385 HydrophobicContact CB-CE2 3.97Å; F373-F385 HydrophobicContact CB-CG 3.82Å; F373-F385 HydrophobicContact CB-CZ 4.4Å; F373-F385 HydrophobicContact CD1-CB 3.4Å; F373-F385 AromaticContact CD1-CD1 3.58Å; F373-F385 HydrophobicContact CD1-CD1 3.58Å; F373-F385 HydrophobicContact CD1-CD2 4.23Å; F373-F385 HydrophobicContact CD1-CE1 4.4Å; F373-F385 AromaticContact CD1-CG 3.48Å; F373-F385 HydrophobicContact CD1-CG 3.48Å; F373-F385 VanDerWaalsContact CD1-CG 3.48Å; F373-F385 HydrophobicContact CD2-CB 4.37Å; F373-F385 HydrophobicContact CE1-CB 3.68Å; F373-F385 HydrophobicContact CE1-CD1 4.33Å; F373-F385 HydrophobicContact CE1-CG 4.22Å; F373-F385 HydrophobicContact CG-CB 3.75Å; F373-F385 HydrophobicContact CG-CD1 4.26Å; F373-F385 HydrophobicContact CG-CD2 4.1Å; F373-F385 AromaticContact CG-CG 3.79Å; F373-F385 HydrophobicContact CG-CG 3.79Å; F373-F385 HydrophobicContact CZ-CB 4.27Å; F373-F386 WeakPolarHBondContact CZ-O 3.48Å; F373-F387 HydrophobicContact CE2-CB 4.06Å; F373-F387 HydrophobicContact CZ-CB 3.92Å
374	S	95.9	Very high	89.2	Confident	4 Å²	4	77.8 Å²	77.8	3%	0.028	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	141.3	-170.1	156.3	0	0	0	0	111.5	E324 I325 A376 M377 F385	E324-S374 WeakPolarHBondContact CG-OG 3.43Å; E324-S374 WeakPolarHBondContact OE1-CB 3.37Å; E324-S374 PolarHBondContact OE1-OG 3.32Å; I325-S374 WeakPolarHBondContact O-CA 3.01Å; S374-A376 PolarHBondContact O-N 2.75Å; S374-A376 VanDerWaalsContact O-N 3.15Å; S374-A376 WeakPolarHBondContact OG-CB 3.44Å; S374-A376 PolarHBondContact OG-N 3.28Å; S374-M377 WeakPolarHBondContact O-CB 3.34Å; S374-M377 PolarHBondContact O-N 2.78Å; S374-M377 VanDerWaalsContact O-N 3.09Å; S374-F385 WeakPolarHBondContact O-CZ 3.28Å
375	S	95.6	Very high	89.3	Confident	32 Å²	32	75.8 Å²	75.8	22%	0.224	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.7	171.3	60.5	0	0	0	0	113.7	I267 R268 E324 I325	I267-S375 VanDerWaalsContact CG2-OG 3.28Å; I267-S375 WeakPolarHBondContact CG2-OG 3.38Å; R268-S375 VanDerWaalsContact O-CB 3.25Å; R268-S375 WeakPolarHBondContact O-CB 3.38Å; E324-S375 WeakPolarHBondContact CA-OG 3.46Å; I325-S375 PolarHBondContact N-OG 3.32Å; I325-S375 PolarHBondContact O-N 3.47Å
376	A	93.7	Very high	89.5	Confident	74 Å²	74	80.7 Å²	80.7	61%	0.612	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-10.1	176.9	0	0	0	0	0	113.3	E324 S374	E324-A376 HydrophobicContact CG-CB 4.18Å; S374-A376 PolarHBondContact O-N 2.75Å; S374-A376 VanDerWaalsContact O-N 3.15Å; S374-A376 WeakPolarHBondContact OG-CB 3.44Å; S374-A376 PolarHBondContact OG-N 3.28Å
377	M	93.4	Very high	89.9	Confident	89 Å²	89	77 Å²	77	44%	0.438	42%	0.42	S	S	.	.	S	Bend	trans	-74.4	132.4	175	-70	176.7	-179.9	0	0	110.2	E372 S374 L379 F385	E372-M377 WeakPolarHBondContact O-CE 3.16Å; S374-M377 WeakPolarHBondContact O-CB 3.34Å; S374-M377 PolarHBondContact O-N 2.78Å; S374-M377 VanDerWaalsContact O-N 3.09Å; M377-L379 PolarHBondContact O-N 2.89Å; M377-F385 HydrophobicContact CB-CE1 4.04Å; M377-F385 HydrophobicContact CB-CZ 3.94Å; M377-F385 HydrophobicContact SD-CE1 4.05Å; M377-F385 HydrophobicContact SD-CZ 4.4Å
378	P	85.9	Confident	90.4	Very high	131 Å²	131	71.9 Å²	71.9	85%	0.851	39%	0.39	S	S	*	.			trans	-68.3	126.4	179.7	27.9	-33.2	0	0	0	110.8
379	L	87.3	Confident	90.7	Very high	68 Å²	68	71 Å²	71	36%	0.356	39%	0.386	S	S	.	.			trans	-129	147.1	171	-82.3	166.5	0	0	0	109	P270 M377 D383 F385	P270-L379 HydrophobicContact CG-CD1 3.82Å; M377-L379 PolarHBondContact O-N 2.89Å; L379-D383 HydrophobicContact CD2-CB 3.98Å; L379-F385 HydrophobicContact CD1-CD1 3.97Å; L379-F385 HydrophobicContact CD1-CD2 3.9Å; L379-F385 HydrophobicContact CD1-CE1 3.53Å; L379-F385 HydrophobicContact CD1-CE2 3.46Å; L379-F385 VanDerWaalsContact CD1-CE2 3.46Å; L379-F385 HydrophobicContact CD1-CG 4.15Å; L379-F385 HydrophobicContact CD1-CZ 3.25Å; L379-F385 HydrophobicContact CD2-CD1 4.44Å; L379-F385 HydrophobicContact CD2-CE1 4.28Å; L379-F385 HydrophobicContact CG-CE1 3.94Å; L379-F385 HydrophobicContact CG-CZ 4Å
380	E	84.7	Confident	91	Very high	153 Å²	153	63.5 Å²	63.5	72%	0.715	35%	0.349	S	S	*	.			trans	-69.4	156.3	170.6	-57.9	-169	171.7	0	0	110.2	G382 D383	E380-G382 PolarHBondContact O-N 2.87Å; E380-D383 WeakPolarHBondContact O-CB 3.34Å; E380-D383 PolarHBondContact O-N 3.32Å; E380-D383 VanDerWaalsContact O-N 3.09Å
381	E	78.5	Confident	91.1	Very high	205 Å²	205	66.5 Å²	66.5	96%	0.958	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	120.9	-179.1	-169.6	176.6	180	0	0	110.3
382	G	78.5	Confident	91.3	Very high	59 Å²	59	67.2 Å²	67.2	61%	0.608	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	97	-12.2	-175.8	0	0	0	0	0	114.8	E380	E380-G382 PolarHBondContact O-N 2.87Å
383	D	88.6	Confident	91.3	Very high	81 Å²	81	68.5 Å²	68.5	43%	0.433	38%	0.377	S	S	.	.			trans	-79.1	160.1	176.4	-75.6	-8.1	0	0	0	112.4	L379 E380	L379-D383 HydrophobicContact CD2-CB 3.98Å; E380-D383 WeakPolarHBondContact O-CB 3.34Å; E380-D383 PolarHBondContact O-N 3.32Å; E380-D383 VanDerWaalsContact O-N 3.09Å
384	T	91.9	Very high	91.4	Very high	24 Å²	24	68 Å²	68	15%	0.147	38%	0.375	C	S	.	.			trans	-138.4	166.8	174.3	-168.4	0	0	0	0	111.5	I271 R273 F386	I271-T384 PolarHBondContact O-OG1 2.97Å; R273-T384 HydrophobicContact CB-CG2 4.23Å; R273-T384 HydrophobicContact CG-CG2 3.85Å; T384-F386 HydrophobicContact CG2-CE2 4.48Å; T384-F386 HydrophobicContact CG2-CZ 4.22Å; T384-F386 WeakPolarHBondContact O-CE2 3.36Å
385	F	94.5	Very high	91.5	Very high	21 Å²	21	68 Å²	68	9%	0.092	38%	0.375	C	S	.	.			trans	-77.4	156.8	173.9	-60.4	-68.9	0	0	0	112	P270 P272 R273 F373 S374 M377 L379	P270-F385 HydrophobicContact CG-CE2 4.46Å; P272-F385 CarbonylContact C-O 3.48Å; P272-F385 VanDerWaalsContact CA-O 3.28Å; P272-F385 WeakPolarHBondContact CA-O 3.35Å; P272-F385 HydrophobicContact CB-CB 3.97Å; P272-F385 HydrophobicContact CG-CB 4.12Å; R273-F385 PolarHBondContact N-O 3.37Å; F373-F385 HydrophobicContact CB-CB 4.28Å; F373-F385 HydrophobicContact CB-CD1 4.27Å; F373-F385 HydrophobicContact CB-CD2 3.66Å; F373-F385 HydrophobicContact CB-CE2 3.97Å; F373-F385 HydrophobicContact CB-CG 3.82Å; F373-F385 HydrophobicContact CB-CZ 4.4Å; F373-F385 HydrophobicContact CD1-CB 3.4Å; F373-F385 AromaticContact CD1-CD1 3.58Å; F373-F385 HydrophobicContact CD1-CD1 3.58Å; F373-F385 HydrophobicContact CD1-CD2 4.23Å; F373-F385 HydrophobicContact CD1-CE1 4.4Å; F373-F385 AromaticContact CD1-CG 3.48Å; F373-F385 HydrophobicContact CD1-CG 3.48Å; F373-F385 VanDerWaalsContact CD1-CG 3.48Å; F373-F385 HydrophobicContact CD2-CB 4.37Å; F373-F385 HydrophobicContact CE1-CB 3.68Å; F373-F385 HydrophobicContact CE1-CD1 4.33Å; F373-F385 HydrophobicContact CE1-CG 4.22Å; F373-F385 HydrophobicContact CG-CB 3.75Å; F373-F385 HydrophobicContact CG-CD1 4.26Å; F373-F385 HydrophobicContact CG-CD2 4.1Å; F373-F385 AromaticContact CG-CG 3.79Å; F373-F385 HydrophobicContact CG-CG 3.79Å; F373-F385 HydrophobicContact CZ-CB 4.27Å; S374-F385 WeakPolarHBondContact O-CZ 3.28Å; M377-F385 HydrophobicContact CB-CE1 4.04Å; M377-F385 HydrophobicContact CB-CZ 3.94Å; M377-F385 HydrophobicContact SD-CE1 4.05Å; M377-F385 HydrophobicContact SD-CZ 4.4Å; L379-F385 HydrophobicContact CD1-CD1 3.97Å; L379-F385 HydrophobicContact CD1-CD2 3.9Å; L379-F385 HydrophobicContact CD1-CE1 3.53Å; L379-F385 HydrophobicContact CD1-CE2 3.46Å; L379-F385 VanDerWaalsContact CD1-CE2 3.46Å; L379-F385 HydrophobicContact CD1-CG 4.15Å; L379-F385 HydrophobicContact CD1-CZ 3.25Å; L379-F385 HydrophobicContact CD2-CD1 4.44Å; L379-F385 HydrophobicContact CD2-CE1 4.28Å; L379-F385 HydrophobicContact CG-CE1 3.94Å; L379-F385 HydrophobicContact CG-CZ 4Å
386	F	93.8	Very high	91.5	Very high	107 Å²	107	69.8 Å²	69.8	47%	0.469	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.6	177.9	-64	-86.9	0	0	0	112.3	R273 R275 F373 T384	R273-F386 HydrophobicContact CB-CD1 4.2Å; R273-F386 HydrophobicContact CB-CE1 4.21Å; R273-F386 CarbonylContact O-C 3.56Å; R273-F386 WeakPolarHBondContact O-CA 3.49Å; R275-F386 HydrophobicContact CB-CB 4.4Å; F373-F386 WeakPolarHBondContact CZ-O 3.48Å; T384-F386 HydrophobicContact CG2-CE2 4.48Å; T384-F386 HydrophobicContact CG2-CZ 4.22Å; T384-F386 WeakPolarHBondContact O-CE2 3.36Å
387	F	94.7	Very high	91.7	Very high	4 Å²	4	70.3 Å²	70.3	2%	0.018	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	164.7	175.1	74.8	-78.1	0	0	0	111	P272 R273 R274 R275 D309 F311 Y329 F373 P389	P272-F387 HydrophobicContact CB-CD1 3.92Å; R273-F387 VanDerWaalsContact C-CD1 3.48Å; R273-F387 WeakPolarHBondContact O-CD1 3.36Å; R273-F387 PolarHBondContact O-N 2.74Å; R274-F387 CarbonylContact C-O 3.59Å; R274-F387 WeakPolarHBondContact CA-O 3.31Å; R274-F387 HydrophobicContact CG-CE1 3.98Å; R274-F387 HydrophobicContact CG-CE2 4.19Å; R274-F387 HydrophobicContact CG-CZ 3.56Å; R275-F387 PolarHBondContact N-O 2.97Å; D309-F387 HydrophobicContact CB-CZ 4.07Å; F311-F387 HydrophobicContact CE1-CD1 4.2Å; F311-F387 HydrophobicContact CE1-CE1 4.32Å; F311-F387 HydrophobicContact CE2-CE1 4.32Å; F311-F387 HydrophobicContact CE2-CZ 4.44Å; F311-F387 AromaticContact CZ-CD1 3.8Å; F311-F387 HydrophobicContact CZ-CD1 3.8Å; F311-F387 AromaticContact CZ-CE1 3.48Å; F311-F387 HydrophobicContact CZ-CE1 3.48Å; F311-F387 VanDerWaalsContact CZ-CE1 3.48Å; F311-F387 HydrophobicContact CZ-CG 4.46Å; F311-F387 AromaticContact CZ-CZ 3.87Å; F311-F387 HydrophobicContact CZ-CZ 3.87Å; Y329-F387 AromaticContact CD1-CD2 3.98Å; Y329-F387 HydrophobicContact CD1-CD2 3.98Å; Y329-F387 HydrophobicContact CD1-CE2 4.36Å; Y329-F387 AromaticContact CD2-CD2 3.55Å; Y329-F387 HydrophobicContact CD2-CD2 3.55Å; Y329-F387 AromaticContact CD2-CE2 3.29Å; Y329-F387 HydrophobicContact CD2-CE2 3.29Å; Y329-F387 HydrophobicContact CD2-CZ 4.09Å; Y329-F387 HydrophobicContact CE1-CD2 4.47Å; Y329-F387 HydrophobicContact CE2-CD2 4.08Å; Y329-F387 AromaticContact CE2-CE2 3.49Å; Y329-F387 HydrophobicContact CE2-CE2 3.49Å; Y329-F387 VanDerWaalsContact CE2-CE2 3.49Å; Y329-F387 HydrophobicContact CE2-CZ 4.35Å; Y329-F387 AromaticContact CG-CD2 3.49Å; Y329-F387 HydrophobicContact CG-CD2 3.49Å; Y329-F387 VanDerWaalsContact CG-CD2 3.49Å; Y329-F387 AromaticContact CG-CE2 3.78Å; Y329-F387 HydrophobicContact CG-CE2 3.78Å; Y329-F387 HydrophobicContact CG-CG 4.34Å; F373-F387 HydrophobicContact CE2-CB 4.06Å; F373-F387 HydrophobicContact CZ-CB 3.92Å; F387-P389 HydrophobicContact CE2-CG 4.09Å
388	Q	92.8	Very high	91.8	Very high	68 Å²	68	68 Å²	68	32%	0.318	37%	0.367	S	S	.	.			trans	-109.5	120.4	176.3	-168.6	69.2	40.4	0	0	109.7	E845	Q388-E845 PolarHBondContact NE2-OE1 2.81Å; Q388-E845 PolarHBondContact NE2-OE2 2.84Å
389	P	93.3	Very high	92.3	Very high	7 Å²	7	62.7 Å²	62.7	5%	0.045	33%	0.331	C	S	.	.			trans	-60.2	147.1	171.8	-22	32.6	0	0	0	111.7	R274 F387 L847 F852	R274-P389 HydrophobicContact CB-CG 4.21Å; R274-P389 HydrophobicContact CG-CG 3.66Å; F387-P389 HydrophobicContact CE2-CG 4.09Å; P389-L847 HydrophobicContact CB-CD1 3.84Å; P389-L847 HydrophobicContact CG-CD1 4.02Å; P389-F852 HydrophobicContact CB-CD1 3.83Å; P389-F852 HydrophobicContact CB-CE1 3.85Å
390	R	93.4	Very high	92.6	Very high	36 Å²	36	63.4 Å²	63.4	14%	0.136	33%	0.333	C	S	.	.			trans	-145.6	161	177	58.6	144.3	178	74.3	10.9	111.5	Y329 F330 D331 E370 N394 F852	Y329-R390 HydrophobicContact CE1-CG 3.91Å; F330-R390 PolarHBondContact O-NH2 3.34Å; D331-R390 IonicContact OD1-CZ 3.75Å; D331-R390 IonicContact OD1-NH1 2.75Å; D331-R390 PolarHBondContact OD1-NH1 3.38Å; D331-R390 IonicContact OD1-NH2 3.97Å; E370-R390 VanDerWaalsContact OE1-CD 3.29Å; E370-R390 WeakPolarHBondContact OE1-CD 3.43Å; E370-R390 IonicContact OE1-CZ 3.64Å; E370-R390 IonicContact OE1-NE 3.19Å; E370-R390 PolarHBondContact OE1-NE 3.13Å; E370-R390 IonicContact OE1-NH2 2.74Å; R390-N394 PolarHBondContact NH2-ND2 3.26Å; R390-F852 WeakPolarHBondContact O-CE1 3.33Å; R390-F852 WeakPolarHBondContact O-CZ 3.19Å
391	P	94.2	Very high	93	Very high	97 Å²	97	57.6 Å²	57.6	63%	0.63	31%	0.306	S	S	*	.	S	Bend	trans	-53	157.9	169.1	-25.2	35	0	0	0	112.1	K393	P391-K393 PolarHBondContact O-N 3.02Å
392	L	95.4	Very high	93.7	Very high	70 Å²	70	50.4 Å²	50.4	37%	0.366	28%	0.275	S	S	.	.			trans	-54.6	134.8	-177.3	-57.3	178.3	0	0	0	111.8	D331 T332 V333 Y359 L395	D331-L392 HydrophobicContact CB-CD2 3.74Å; D331-L392 WeakPolarHBondContact OD1-CA 3.22Å; T332-L392 WeakPolarHBondContact O-CD2 3.48Å; V333-L392 HydrophobicContact CG1-CD2 4.34Å; Y359-L392 HydrophobicContact CD1-CD1 4.23Å; Y359-L392 HydrophobicContact CE1-CD1 3.83Å; L392-L395 WeakPolarHBondContact CB-O 3.31Å; L392-L395 HydrophobicContact CD2-CB 4.41Å
393	K	95.3	Very high	94.6	Very high	96 Å²	96	47.7 Å²	47.7	42%	0.417	25%	0.247	S	C	.	.	S	Bend	trans	-131.9	-35.7	176.6	-172.4	-176.2	178.7	-180	0	111.2	D331 H363 P391	D331-K393 PolarHBondContact OD1-N 2.92Å; D331-K393 PolarHBondContact OD2-N 3.24Å; H363-K393 PolarHBondContact CD2-O 3.25Å; P391-K393 PolarHBondContact O-N 3.02Å
394	N	97.4	Very high	94.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.011	23%	0.226	C	C	.	.	S	Bend	trans	-91.4	-30.9	-179.2	-66.8	-47.3	0	0	0	111.4	F330 D331 A362 H363 G365 R390	F330-N394 HydrophobicContact CD1-CB 4.19Å; F330-N394 HydrophobicContact CD2-CB 4.1Å; F330-N394 HydrophobicContact CE1-CB 3.78Å; F330-N394 HydrophobicContact CE2-CB 3.68Å; F330-N394 HydrophobicContact CG-CB 4.34Å; F330-N394 HydrophobicContact CZ-CB 3.51Å; F330-N394 PolarHBondContact O-ND2 2.98Å; D331-N394 WeakPolarHBondContact OD2-CA 3.28Å; D331-N394 WeakPolarHBondContact OD2-CB 3.09Å; D331-N394 PolarHBondContact OD2-N 2.7Å; A362-N394 PolarHBondContact N-O 3.33Å; H363-N394 WeakPolarHBondContact CB-OD1 3.26Å; H363-N394 PolarHBondContact N-O 3.08Å; G365-N394 WeakPolarHBondContact CA-OD1 3.21Å; G365-N394 PolarHBondContact N-OD1 3.26Å; R390-N394 PolarHBondContact NH2-ND2 3.26Å
395	L	97.7	Very high	95.2	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	141.6	177.4	-63.2	178.2	0	0	0	111.8	I310 F330 D331 V333 L347 Y359 Q360 I361 L392	I310-L395 HydrophobicContact CD1-CD1 4.44Å; F330-L395 HydrophobicContact CD1-CG 4.36Å; F330-L395 HydrophobicContact CE1-CD1 4.28Å; F330-L395 HydrophobicContact CE1-CD2 3.76Å; F330-L395 HydrophobicContact CE1-CG 3.77Å; F330-L395 HydrophobicContact CZ-CD2 4.49Å; D331-L395 HydrophobicContact CB-CD1 4.02Å; D331-L395 HydrophobicContact CB-CG 4.3Å; D331-L395 WeakPolarHBondContact OD2-CB 3.48Å; D331-L395 PolarHBondContact OD2-N 3.03Å; V333-L395 HydrophobicContact CG1-CD1 3.76Å; L347-L395 HydrophobicContact CB-CD2 4.35Å; L347-L395 HydrophobicContact CD2-CD1 3.9Å; L347-L395 HydrophobicContact CD2-CD2 3.99Å; Y359-L395 HydrophobicContact CD1-CB 4Å; Y359-L395 HydrophobicContact CD2-CD1 4.49Å; Y359-L395 HydrophobicContact CG-CB 4.21Å; Y359-L395 HydrophobicContact CG-CD1 4.23Å; Q360-L395 CarbonylContact O-C 3.52Å; Q360-L395 WeakPolarHBondContact O-CA 3.32Å; I361-L395 HydrophobicContact CG1-CD2 3.88Å; L392-L395 WeakPolarHBondContact CB-O 3.31Å; L392-L395 HydrophobicContact CD2-CB 4.41Å
396	V	97.5	Very high	95.3	Very high	70 Å²	70	42.9 Å²	42.9	42%	0.424	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.8	169.8	178.7	0	0	0	0	107.7	Y359 Q360 A362 V398	Y359-V396 CarbonylContact C-O 3.58Å; Y359-V396 WeakPolarHBondContact CA-O 3.25Å; Q360-V396 HydrophobicContact CB-CB 4.49Å; Q360-V396 PolarHBondContact N-O 3.3Å; Q360-V396 PolarHBondContact O-N 3.33Å; A362-V396 HydrophobicContact CB-CG2 3.98Å; V396-V398 WeakPolarHBondContact O-CG2 3.36Å; V396-V398 PolarHBondContact O-N 2.82Å
397	L	97.2	Very high	95.5	Very high	84 Å²	84	37.8 Å²	37.8	44%	0.44	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	124.9	175.5	177.6	62.7	0	0	0	109.4	Y357 Y359 D399	Y357-L397 HydrophobicContact CD1-CD1 3.72Å; Y357-L397 HydrophobicContact CG-CD1 4.35Å; Y359-L397 HydrophobicContact CD1-CB 4.04Å; Y359-L397 HydrophobicContact CD1-CD1 4.19Å; Y359-L397 HydrophobicContact CE1-CB 3.93Å; Y359-L397 HydrophobicContact CE1-CD1 3.87Å; Y359-L397 HydrophobicContact CE1-CG 4.46Å; L397-D399 WeakPolarHBondContact CD1-O 3.18Å
398	V	95.5	Very high	95.7	Very high	41 Å²	41	39.1 Å²	39.1	25%	0.248	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-41.2	-177.9	-174.3	0	0	0	0	112.1	T47 F346 L358 Q360 V396	T47-V398 WeakPolarHBondContact O-CG1 3.37Å; F346-V398 HydrophobicContact CE1-CG2 4.2Å; L358-V398 PolarHBondContact O-N 2.88Å; Q360-V398 HydrophobicContact CB-CG2 3.61Å; V396-V398 WeakPolarHBondContact O-CG2 3.36Å; V396-V398 PolarHBondContact O-N 2.82Å
399	D	95.6	Very high	95.9	Very high	20 Å²	20	37.7 Å²	37.7	11%	0.107	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	156.1	179.2	-155.7	30.5	0	0	0	112.1	G48 K49 V50 L358 L397	G48-D399 WeakPolarHBondContact O-CB 3.42Å; K49-D399 IonicContact NZ-OD1 3.16Å; K49-D399 PolarHBondContact NZ-OD1 2.86Å; V50-D399 HydrophobicContact CG2-CB 4.44Å; V50-D399 PolarHBondContact N-OD2 2.91Å; L358-D399 HydrophobicContact CB-CB 4.22Å; L358-D399 PolarHBondContact N-O 2.92Å; L358-D399 PolarHBondContact O-N 2.88Å; L397-D399 WeakPolarHBondContact CD1-O 3.18Å
400	E	94.1	Very high	96.2	Very high	82 Å²	82	37.7 Å²	37.7	38%	0.383	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	125.3	-177	-177.8	171.1	-163.8	0	0	109.8	N355 H356 Y357	N355-E400 HydrophobicContact CB-CG 3.86Å; N355-E400 WeakPolarHBondContact CB-OE1 3.36Å; N355-E400 PolarHBondContact ND2-OE1 2.86Å; H356-E400 WeakPolarHBondContact O-CA 3.48Å; Y357-E400 HydrophobicContact CD1-CB 4.37Å; Y357-E400 HydrophobicContact CD1-CG 4.03Å; Y357-E400 HydrophobicContact CE1-CB 4.49Å; Y357-E400 HydrophobicContact CE1-CG 3.76Å; Y357-E400 VanDerWaalsContact CE1-OE1 3.26Å; Y357-E400 WeakPolarHBondContact CE1-OE1 3.4Å; Y357-E400 PolarHBondContact OH-OE1 3.4Å
401	L	93.9	Very high	96.3	Very high	31 Å²	31	38.4 Å²	38.4	16%	0.162	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	114	172.6	-63.8	178	0	0	0	109.1	L41 V50 F348 N355 H356	L41-L401 HydrophobicContact CD1-CD1 3.99Å; V50-L401 HydrophobicContact CB-CD2 4.14Å; V50-L401 HydrophobicContact CG1-CD1 4.24Å; V50-L401 HydrophobicContact CG1-CD2 4.3Å; F348-L401 HydrophobicContact CE2-CD1 3.76Å; F348-L401 HydrophobicContact CZ-CD1 4.02Å; N355-L401 WeakPolarHBondContact CA-O 3.36Å; N355-L401 WeakPolarHBondContact CB-O 3.45Å; H356-L401 HydrophobicContact CB-CB 4.18Å; H356-L401 PolarHBondContact N-O 2.65Å; H356-L401 PolarHBondContact O-N 2.93Å
402	D	93.4	Very high	96.4	Very high	55 Å²	55	34.2 Å²	34.2	29%	0.294	18%	0.177	S	C	.	.			trans	-60.7	139.6	176.7	-82.8	-52.1	0	0	0	113.2	N355 R436 K769 Q776	N355-D402 PolarHBondContact ND2-OD1 2.87Å; N355-D402 WeakPolarHBondContact OD1-CA 3.32Å; D402-R436 IonicContact OD1-CZ 3.01Å; D402-R436 IonicContact OD1-NH1 3.53Å; D402-R436 PolarHBondContact OD1-NH1 2.91Å; D402-R436 IonicContact OD1-NH2 2.66Å; D402-K769 IonicContact OD2-NZ 3.7Å; D402-Q776 PolarHBondContact OD2-NE2 2.84Å
403	S	95.7	Very high	96.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.014	17%	0.168	C	C	.	.			trans	-144.2	133	175.7	-179.1	0	0	0	0	111.6	T12 G354 N355 S405 R436	T12-S403 WeakPolarHBondContact CB-OG 3.37Å; T12-S403 PolarHBondContact O-OG 3.31Å; T12-S403 VanDerWaalsContact OG1-CA 3.26Å; T12-S403 WeakPolarHBondContact OG1-CA 3.18Å; T12-S403 WeakPolarHBondContact OG1-CB 3.38Å; T12-S403 PolarHBondContact OG1-OG 2.94Å; G354-S403 WeakPolarHBondContact O-CB 3.32Å; G354-S403 PolarHBondContact O-OG 2.87Å; N355-S403 PolarHBondContact OD1-N 2.96Å; N355-S403 PolarHBondContact OD1-O 3.23Å; S403-S405 VanDerWaalsContact C-N 3.29Å; S403-S405 WeakPolarHBondContact OG-CB 3.19Å; S403-S405 PolarHBondContact OG-N 2.79Å; S403-R436 PolarHBondContact O-NH2 2.94Å
404	L	96.7	Very high	96.2	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.16	C	C	.	.			trans	-84.5	-3.9	173.4	-55.9	-176	0	0	0	112.3	T12 P406 I407 C427 R436 L438 I1126	T12-L404 PolarHBondContact OG1-N 3.02Å; L404-P406 CarbonylContact O-C 3.56Å; L404-I407 HydrophobicContact CB-CD1 3.81Å; L404-I407 HydrophobicContact CB-CG1 3.72Å; L404-I407 HydrophobicContact CD1-CD1 3.95Å; L404-I407 VanDerWaalsContact O-CG1 3.24Å; L404-I407 WeakPolarHBondContact O-CG1 3.37Å; L404-I407 PolarHBondContact O-N 2.9Å; L404-I407 VanDerWaalsContact O-N 3.1Å; L404-C427 VanDerWaalsContact O-CB 3.27Å; L404-C427 WeakPolarHBondContact O-CB 3.37Å; L404-R436 HydrophobicContact CD2-CB 4.47Å; L404-L438 HydrophobicContact CD1-CD1 3.87Å; L404-L438 HydrophobicContact CD2-CD2 4.26Å; L404-I1126 HydrophobicContact CD1-CD1 4.05Å
405	S	96.9	Very high	95.9	Very high	12 Å²	12	29.8 Å²	29.8	8%	0.084	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-78.2	127.8	-173.6	-177	0	0	0	0	111.7	G354 S403 L1122	G354-S405 PolarHBondContact N-O 3.5Å; S403-S405 VanDerWaalsContact C-N 3.29Å; S403-S405 WeakPolarHBondContact OG-CB 3.19Å; S403-S405 PolarHBondContact OG-N 2.79Å; S405-L1122 PolarHBondContact OG-O 3.36Å
406	P	97.6	Very high	95.4	Very high	11 Å²	11	30.8 Å²	30.8	7%	0.071	17%	0.17	C	C	.	.	S	Bend	cis	-84.8	139.5	-6	31.9	-32.6	0	0	0	112.8	F353 L404 L408 C427 G428 L1122	F353-P406 HydrophobicContact CD1-CG 4.24Å; L404-P406 CarbonylContact O-C 3.56Å; P406-L408 HydrophobicContact CB-CD2 4.35Å; P406-C427 CarbonylContact O-C 3.58Å; P406-C427 WeakPolarHBondContact O-CA 3.2Å; P406-G428 PolarHBondContact O-N 3.06Å; P406-G428 VanDerWaalsContact O-N 3.1Å; P406-L1122 WeakPolarHBondContact CA-O 3.39Å; P406-L1122 HydrophobicContact CB-CD1 3.49Å; P406-L1122 VanDerWaalsContact CB-CD1 3.49Å; P406-L1122 HydrophobicContact CB-CG 4.34Å
407	I	98.3	Very high	94.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	117.5	164.9	-60.6	174.3	0	0	0	108.1	L404 V425 L1102 T1120 T1121	L404-I407 HydrophobicContact CB-CD1 3.81Å; L404-I407 HydrophobicContact CB-CG1 3.72Å; L404-I407 HydrophobicContact CD1-CD1 3.95Å; L404-I407 VanDerWaalsContact O-CG1 3.24Å; L404-I407 WeakPolarHBondContact O-CG1 3.37Å; L404-I407 PolarHBondContact O-N 2.9Å; L404-I407 VanDerWaalsContact O-N 3.1Å; I407-V425 HydrophobicContact CB-CG1 4.16Å; I407-V425 HydrophobicContact CD1-CG1 3.88Å; I407-V425 HydrophobicContact CG1-CG1 3.64Å; I407-V425 HydrophobicContact CG2-CG1 3.58Å; I407-L1102 WeakPolarHBondContact O-CD1 3.48Å; I407-T1120 HydrophobicContact CD1-CG2 4.4Å; I407-T1120 VanDerWaalsContact CG2-OG1 3.31Å; I407-T1120 WeakPolarHBondContact CG2-OG1 3.28Å; I407-T1121 WeakPolarHBondContact CB-O 3.42Å
408	L	97.7	Very high	93.9	Very high	33 Å²	33	32.8 Å²	32.8	17%	0.173	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-31.9	-178.9	-64.9	177.8	0	0	0	113.1	P406 A426 T784 P785 L1102 L1122	P406-L408 HydrophobicContact CB-CD2 4.35Å; L408-A426 PolarHBondContact N-O 2.88Å; L408-T784 HydrophobicContact CD1-CG2 3.11Å; L408-P785 WeakPolarHBondContact CB-O 3.26Å; L408-P785 WeakPolarHBondContact CD1-O 3.37Å; L408-L1102 HydrophobicContact CD2-CD1 4.26Å; L408-L1122 HydrophobicContact CD2-CD1 4.48Å
409	F	98.1	Very high	93	Very high	38 Å²	38	37.2 Å²	37.2	17%	0.167	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	147.8	176.7	-168.9	-108.8	0	0	0	109.9	Q411 A426 K787 F788	F409-Q411 HydrophobicContact CE1-CB 4.4Å; F409-A426 HydrophobicContact CB-CB 4.22Å; F409-A426 PolarHBondContact O-N 2.79Å; F409-K787 HydrophobicContact CD1-CG 4.22Å; F409-K787 HydrophobicContact CD2-CG 4.2Å; F409-K787 HydrophobicContact CE1-CG 4.17Å; F409-K787 HydrophobicContact CE2-CG 4.15Å; F409-K787 HydrophobicContact CG-CG 4.24Å; F409-K787 HydrophobicContact CZ-CG 4.14Å; F409-F788 AromaticContact CD1-CD1 3.67Å; F409-F788 HydrophobicContact CD1-CD1 3.67Å; F409-F788 AromaticContact CD1-CE1 3.63Å; F409-F788 HydrophobicContact CD1-CE1 3.63Å; F409-F788 HydrophobicContact CD1-CG 4.18Å; F409-F788 HydrophobicContact CD1-CZ 4.11Å; F409-F788 HydrophobicContact CE1-CD1 4.31Å; F409-F788 HydrophobicContact CE1-CE1 4.26Å; F409-F788 HydrophobicContact CE1-CE2 4.47Å; F409-F788 HydrophobicContact CE1-CG 4.42Å; F409-F788 HydrophobicContact CE1-CZ 4.33Å; F409-F788 WeakPolarHBondContact CE1-O 3.13Å
410	C	98	Very high	92.3	Very high	7 Å²	7	37.4 Å²	37.4	5%	0.047	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	145	173.8	179.4	0	0	0	0	109.7	Y424 V425 S1103 T1120	C410-Y424 CarbonylContact C-O 3.49Å; C410-Y424 WeakPolarHBondContact CA-O 3.49Å; C410-Y424 PolarHBondContact SG-O 2.77Å; C410-Y424 VanDerWaalsContact SG-O 3.33Å; C410-V425 HydrophobicContact CB-CG2 4.48Å; C410-S1103 WeakPolarHBondContact CB-OG 3.49Å; C410-T1120 HydrophobicContact CB-CG2 3.74Å
411	Q	96.8	Very high	92	Very high	51 Å²	51	34.8 Å²	34.8	24%	0.238	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	137.6	168.7	-168.7	168.3	-10.6	0	0	109.6	F409 Y424 F788 I790	F409-Q411 HydrophobicContact CE1-CB 4.4Å; Q411-Y424 PolarHBondContact N-O 3.1Å; Q411-Y424 PolarHBondContact O-N 2.77Å; Q411-F788 HydrophobicContact CB-CE2 3.61Å; Q411-F788 HydrophobicContact CB-CZ 3.67Å; Q411-I790 HydrophobicContact CG-CD1 3.91Å
412	I	95.9	Very high	92	Very high	9 Å²	9	33.3 Å²	33.3	5%	0.046	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.7	-178.6	-52.1	179.6	0	0	0	107.9	P421 Q422 L423 Q1105 T1107 L1109 V1118	I412-P421 HydrophobicContact CG2-CB 3.9Å; I412-P421 HydrophobicContact CG2-CG 4.48Å; I412-Q422 WeakPolarHBondContact CA-O 3.41Å; I412-L423 HydrophobicContact CD1-CG 4.29Å; I412-L423 HydrophobicContact CG1-CG 4.09Å; I412-Q1105 PolarHBondContact O-NE2 2.85Å; I412-T1107 HydrophobicContact CB-CG2 4.13Å; I412-T1107 HydrophobicContact CD1-CG2 3.72Å; I412-T1107 HydrophobicContact CG1-CG2 4.47Å; I412-T1107 HydrophobicContact CG2-CG2 4.01Å; I412-L1109 HydrophobicContact CD1-CD2 4.21Å; I412-L1109 HydrophobicContact CG2-CD2 4.21Å; I412-V1118 HydrophobicContact CD1-CB 3.61Å; I412-V1118 HydrophobicContact CD1-CG1 3.53Å; I412-V1118 HydrophobicContact CD1-CG2 3.96Å
413	A	94.4	Very high	92.1	Very high	21 Å²	21	30.9 Å²	30.9	17%	0.174	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	156.9	-179	0	0	0	0	0	110.3	L415 Q422 Y424 I790	A413-L415 HydrophobicContact CB-CD2 3.65Å; A413-L415 HydrophobicContact CB-CG 3.89Å; A413-L415 PolarHBondContact O-N 2.91Å; A413-Q422 PolarHBondContact N-O 3.15Å; A413-Q422 VanDerWaalsContact N-O 3.13Å; A413-Q422 PolarHBondContact O-N 3.2Å; A413-Q422 PolarHBondContact O-OE1 2.8Å; A413-Q422 VanDerWaalsContact O-OE1 3.11Å; A413-Y424 HydrophobicContact CB-CE2 4.49Å; A413-I790 HydrophobicContact CB-CD1 3.85Å
414	D	92.1	Very high	92.2	Very high	46 Å²	46	30.9 Å²	30.9	25%	0.246	17%	0.17	C	C	.	.			trans	-96.3	77.9	169.3	-176.7	18.2	0	0	0	109.7	A416 N417 E418 D419 Q422	D414-A416 VanDerWaalsContact C-N 3.35Å; D414-N417 WeakPolarHBondContact OD1-CA 3.07Å; D414-N417 PolarHBondContact OD1-N 2.86Å; D414-N417 WeakPolarHBondContact OD2-CA 3.43Å; D414-E418 PolarHBondContact OD1-N 2.89Å; D414-E418 PolarHBondContact OD2-N 2.93Å; D414-D419 WeakPolarHBondContact OD2-CA 3.32Å; D414-D419 PolarHBondContact OD2-N 2.82Å; D414-Q422 PolarHBondContact OD1-NE2 2.85Å
415	L	91.7	Very high	92.3	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.042	17%	0.169	C	C	.	.	S	Bend	trans	-82.1	-20.5	-177.2	-51.6	-179.8	0	0	0	112.3	A413 Y424 I790 N795 L797 P871	A413-L415 HydrophobicContact CB-CD2 3.65Å; A413-L415 HydrophobicContact CB-CG 3.89Å; A413-L415 PolarHBondContact O-N 2.91Å; L415-Y424 HydrophobicContact CB-CE2 4.17Å; L415-Y424 WeakPolarHBondContact CB-OH 3.33Å; L415-Y424 HydrophobicContact CD1-CD1 4.42Å; L415-Y424 HydrophobicContact CD1-CD2 3.98Å; L415-Y424 HydrophobicContact CD1-CE1 4.04Å; L415-Y424 HydrophobicContact CD1-CE2 3.51Å; L415-Y424 HydrophobicContact CD1-CG 4.42Å; L415-Y424 HydrophobicContact CG-CD2 4.41Å; L415-Y424 HydrophobicContact CG-CE2 3.59Å; L415-I790 HydrophobicContact CD1-CD1 4.03Å; L415-I790 HydrophobicContact CD1-CG2 4.4Å; L415-I790 HydrophobicContact CD2-CD1 3.99Å; L415-I790 HydrophobicContact CD2-CG2 3.82Å; L415-I790 HydrophobicContact CG-CD1 4.47Å; L415-N795 HydrophobicContact CB-CB 4.14Å; L415-N795 HydrophobicContact CD2-CB 3.97Å; L415-N795 PolarHBondContact O-ND2 2.94Å; L415-L797 HydrophobicContact CD1-CD2 3.91Å; L415-P871 HydrophobicContact CB-CG 4.26Å; L415-P871 HydrophobicContact CD1-CB 4.14Å; L415-P871 HydrophobicContact CD1-CG 3.71Å
416	A	86.6	Confident	92.4	Very high	24 Å²	24	30.3 Å²	30.3	20%	0.198	17%	0.166	C	C	.	.	S	Bend	trans	-86.5	-6.6	176.4	0	0	0	0	0	113.4	D414 E418 I872	D414-A416 VanDerWaalsContact C-N 3.35Å; A416-E418 VanDerWaalsContact C-N 3.31Å; A416-E418 HydrophobicContact CB-CG 3.74Å; A416-E418 WeakPolarHBondContact CB-OE1 3.14Å; A416-E418 PolarHBondContact O-N 2.75Å; A416-I872 HydrophobicContact CB-CD1 4.45Å; A416-I872 HydrophobicContact CB-CG1 4.44Å
417	N	83.6	Confident	92.3	Very high	127 Å²	127	29.8 Å²	29.8	68%	0.679	16%	0.163	S	C	*	.			trans	54.4	45.3	-173.5	-56.3	-66.4	0	0	0	112.2	D414 D419	D414-N417 WeakPolarHBondContact OD1-CA 3.07Å; D414-N417 PolarHBondContact OD1-N 2.86Å; D414-N417 WeakPolarHBondContact OD2-CA 3.43Å; N417-D419 VanDerWaalsContact C-N 3.3Å
418	E	78.7	Confident	92.3	Very high	69 Å²	69	29.9 Å²	29.9	32%	0.322	16%	0.164	S	C	.	.			trans	-90.6	6.7	178.6	-66.8	170.2	-174.6	0	0	112	D414 A416 T420 Q422 R439 R718	D414-E418 PolarHBondContact OD1-N 2.89Å; D414-E418 PolarHBondContact OD2-N 2.93Å; A416-E418 VanDerWaalsContact C-N 3.31Å; A416-E418 HydrophobicContact CB-CG 3.74Å; A416-E418 WeakPolarHBondContact CB-OE1 3.14Å; A416-E418 PolarHBondContact O-N 2.75Å; E418-T420 PolarHBondContact O-N 2.77Å; E418-Q422 PolarHBondContact OE2-NE2 2.88Å; E418-R439 IonicContact OE1-NE 2.75Å; E418-R439 PolarHBondContact OE1-NE 2.86Å; E418-R439 IonicContact OE1-NH2 3.82Å; E418-R439 IonicContact OE2-NE 3.52Å; E418-R718 PolarHBondContact O-NH2 3.23Å
419	D	77.2	Confident	92.1	Very high	134 Å²	134	34.6 Å²	34.6	72%	0.717	18%	0.179	S	C	*	.	S	Bend	trans	64.1	-17.3	-169.5	-64.8	-47.5	0	0	0	114.4	D414 N417 P1111	D414-D419 WeakPolarHBondContact OD2-CA 3.32Å; D414-D419 PolarHBondContact OD2-N 2.82Å; N417-D419 VanDerWaalsContact C-N 3.3Å; D419-P1111 WeakPolarHBondContact O-CG 3.42Å
420	T	80.7	Confident	92	Very high	24 Å²	24	33.1 Å²	33.1	15%	0.147	17%	0.174	C	C	.	.	S	Bend	trans	-104.8	125.4	173.3	42.7	0	0	0	0	110.5	E418 Q422 R718 P1111	E418-T420 PolarHBondContact O-N 2.77Å; T420-Q422 PolarHBondContact O-NE2 2.85Å; T420-R718 VanDerWaalsContact CG2-NH1 3.32Å; T420-R718 PolarHBondContact OG1-NH1 3.33Å; T420-R718 PolarHBondContact OG1-NH2 2.84Å; T420-P1111 HydrophobicContact CG2-CG 3.89Å
421	P	89.1	Confident	91.8	Very high	27 Å²	27	34.2 Å²	34.2	18%	0.175	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-66.5	143.5	178.6	27	-32.8	0	0	0	112	I412 T1108 L1109	I412-P421 HydrophobicContact CG2-CB 3.9Å; I412-P421 HydrophobicContact CG2-CG 4.48Å; P421-T1108 WeakPolarHBondContact CG-O 3.35Å; P421-L1109 WeakPolarHBondContact CD-O 3.36Å
422	Q	93.3	Very high	91.7	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	156.8	173	-53.9	83.5	26.1	0	0	110.4	I412 A413 D414 E418 T420 Y424 V437 L438 R439	I412-Q422 WeakPolarHBondContact CA-O 3.41Å; A413-Q422 PolarHBondContact N-O 3.15Å; A413-Q422 VanDerWaalsContact N-O 3.13Å; A413-Q422 PolarHBondContact O-N 3.2Å; A413-Q422 PolarHBondContact O-OE1 2.8Å; A413-Q422 VanDerWaalsContact O-OE1 3.11Å; D414-Q422 PolarHBondContact OD1-NE2 2.85Å; E418-Q422 PolarHBondContact OE2-NE2 2.88Å; T420-Q422 PolarHBondContact O-NE2 2.85Å; Q422-Y424 HydrophobicContact CB-CE2 3.92Å; Q422-Y424 PolarHBondContact OE1-OH 3.09Å; Q422-V437 HydrophobicContact CB-CG1 4.04Å; Q422-V437 HydrophobicContact CG-CG1 4.42Å; Q422-L438 WeakPolarHBondContact CA-O 3.38Å; Q422-R439 HydrophobicContact CG-CG 3.87Å
423	L	95.9	Very high	91.8	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.2	172.4	-61.8	70	0	0	0	108.7	I412 V425 V437 L438 F774 I1126	I412-L423 HydrophobicContact CD1-CG 4.29Å; I412-L423 HydrophobicContact CG1-CG 4.09Å; L423-V425 HydrophobicContact CB-CG2 4.19Å; L423-V437 WeakPolarHBondContact O-CA 2.94Å; L423-L438 HydrophobicContact CB-CB 4.07Å; L423-L438 HydrophobicContact CB-CD1 4.28Å; L423-L438 HydrophobicContact CB-CG 4.35Å; L423-L438 HydrophobicContact CD2-CD1 4.46Å; L423-L438 PolarHBondContact N-O 3.43Å; L423-L438 PolarHBondContact O-N 2.81Å; L423-F774 HydrophobicContact CD1-CE1 3.9Å; L423-F774 HydrophobicContact CD1-CZ 4.38Å; L423-I1126 HydrophobicContact CD2-CD1 3.85Å; L423-I1126 HydrophobicContact CD2-CG2 3.87Å
424	Y	97.7	Very high	91.9	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.6	173.3	-62.5	-86.1	0	0	0	108.3	C410 Q411 A413 L415 Q422 R436 V437 F788 L797 P871	C410-Y424 CarbonylContact C-O 3.49Å; C410-Y424 WeakPolarHBondContact CA-O 3.49Å; C410-Y424 PolarHBondContact SG-O 2.77Å; C410-Y424 VanDerWaalsContact SG-O 3.33Å; Q411-Y424 PolarHBondContact N-O 3.1Å; Q411-Y424 PolarHBondContact O-N 2.77Å; A413-Y424 HydrophobicContact CB-CE2 4.49Å; L415-Y424 HydrophobicContact CB-CE2 4.17Å; L415-Y424 WeakPolarHBondContact CB-OH 3.33Å; L415-Y424 HydrophobicContact CD1-CD1 4.42Å; L415-Y424 HydrophobicContact CD1-CD2 3.98Å; L415-Y424 HydrophobicContact CD1-CE1 4.04Å; L415-Y424 HydrophobicContact CD1-CE2 3.51Å; L415-Y424 HydrophobicContact CD1-CG 4.42Å; L415-Y424 HydrophobicContact CG-CD2 4.41Å; L415-Y424 HydrophobicContact CG-CE2 3.59Å; Q422-Y424 HydrophobicContact CB-CE2 3.92Å; Q422-Y424 PolarHBondContact OE1-OH 3.09Å; Y424-R436 CarbonylContact C-O 3.53Å; Y424-R436 WeakPolarHBondContact CA-O 3.48Å; Y424-V437 HydrophobicContact CD1-CB 4.44Å; Y424-V437 HydrophobicContact CD1-CG1 4.23Å; Y424-V437 HydrophobicContact CD1-CG2 3.7Å; Y424-V437 HydrophobicContact CE1-CB 4.24Å; Y424-V437 HydrophobicContact CE1-CG1 3.67Å; Y424-V437 HydrophobicContact CE1-CG2 3.61Å; Y424-F788 WeakPolarHBondContact O-CZ 3.16Å; Y424-L797 HydrophobicContact CD1-CD1 4.39Å; Y424-P871 HydrophobicContact CD1-CB 4.1Å; Y424-P871 HydrophobicContact CE1-CB 3.62Å
425	V	97.9	Very high	92.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.9	-167.1	-173.9	0	0	0	0	109.7	I407 C410 L423 C427 L435 R436 L438	I407-V425 HydrophobicContact CB-CG1 4.16Å; I407-V425 HydrophobicContact CD1-CG1 3.88Å; I407-V425 HydrophobicContact CG1-CG1 3.64Å; I407-V425 HydrophobicContact CG2-CG1 3.58Å; C410-V425 HydrophobicContact CB-CG2 4.48Å; L423-V425 HydrophobicContact CB-CG2 4.19Å; V425-C427 HydrophobicContact CG1-CB 4.39Å; V425-L435 CarbonylContact O-C 3.54Å; V425-L435 WeakPolarHBondContact O-CA 3.17Å; V425-R436 HydrophobicContact CB-CB 4.44Å; V425-R436 PolarHBondContact N-O 2.86Å; V425-R436 PolarHBondContact O-N 2.83Å; V425-L438 HydrophobicContact CG2-CD1 3.78Å; V425-L438 HydrophobicContact CG2-CG 4.04Å
426	A	98.1	Very high	92.5	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	112.8	171.2	0	0	0	0	0	109.2	L408 F409 P785 F788	L408-A426 PolarHBondContact N-O 2.88Å; F409-A426 HydrophobicContact CB-CB 4.22Å; F409-A426 PolarHBondContact O-N 2.79Å; A426-P785 HydrophobicContact CB-CB 3.78Å; A426-P785 HydrophobicContact CB-CG 3.77Å; A426-F788 HydrophobicContact CB-CD1 4.26Å; A426-F788 HydrophobicContact CB-CE1 4.3Å
427	C	97.1	Very high	92.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	164.7	-172.4	59.3	0	0	0	0	114.9	L404 P406 V425 S433 S434 R436	L404-C427 VanDerWaalsContact O-CB 3.27Å; L404-C427 WeakPolarHBondContact O-CB 3.37Å; P406-C427 CarbonylContact O-C 3.58Å; P406-C427 WeakPolarHBondContact O-CA 3.2Å; V425-C427 HydrophobicContact CG1-CB 4.39Å; C427-S433 CarbonylContact O-C 3.59Å; C427-S433 VanDerWaalsContact O-CA 3.29Å; C427-S433 WeakPolarHBondContact O-CA 3.09Å; C427-S433 WeakPolarHBondContact O-CB 3.29Å; C427-S434 PolarHBondContact N-O 3.31Å; C427-S434 PolarHBondContact O-N 3.03Å; C427-S434 VanDerWaalsContact O-O 3.12Å; C427-S434 PolarHBondContact SG-O 2.71Å; C427-S434 PolarHBondContact SG-OG 3.25Å; C427-R436 WeakPolarHBondContact SG-CD 3.39Å; C427-R436 VanDerWaalsContact SG-CG 3.57Å
428	G	96.6	Very high	93.4	Very high	2 Å²	2	25.1 Å²	25.1	2%	0.021	12%	0.123	C	C	.	.	S	Bend	trans	82.1	-176.5	177.8	0	0	0	0	0	113.2	P406	P406-G428 PolarHBondContact O-N 3.06Å; P406-G428 VanDerWaalsContact O-N 3.1Å
429	R	95.4	Very high	94	Very high	132 Å²	132	24.2 Å²	24.2	50%	0.498	12%	0.117	S	C	.	.	S	Bend	trans	-137.5	139	-177.4	-176.1	-178.7	175.1	-169.2	-3.3	110.7	F353 R432 T784	F353-R429 HydrophobicContact CB-CB 4.27Å; F353-R429 HydrophobicContact CD2-CB 4.43Å; F353-R429 HydrophobicContact CG-CB 4.35Å; R429-R432 PolarHBondContact O-N 3.29Å; R429-T784 WeakPolarHBondContact CA-OG1 3.15Å
430	G	95.3	Very high	94.5	Very high	6 Å²	6	19.7 Å²	19.7	6%	0.062	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	57.4	-138.2	175.4	0	0	0	0	0	112.5	R432 S433 Q782 T784 D803	G430-R432 PolarHBondContact O-N 3Å; G430-R432 VanDerWaalsContact O-N 3.11Å; G430-S433 WeakPolarHBondContact O-CB 3.47Å; G430-S433 PolarHBondContact O-N 3.46Å; G430-S433 PolarHBondContact O-OG 3.07Å; G430-Q782 CarbonylContact C-O 3.19Å; G430-T784 PolarHBondContact N-OG1 3.09Å; G430-D803 VanDerWaalsContact CA-OD2 3.27Å; G430-D803 WeakPolarHBondContact CA-OD2 3.41Å
431	P	94.1	Very high	94.9	Very high	30 Å²	30	18.6 Å²	18.6	20%	0.195	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-71	-4.8	-178.7	31.7	-38.2	0	0	0	113.7	E849 S850 A854	P431-E849 HydrophobicContact CB-CB 3.75Å; P431-E849 HydrophobicContact CG-CB 3.89Å; P431-E849 WeakPolarHBondContact CG-O 3.37Å; P431-S850 WeakPolarHBondContact O-CB 3.41Å; P431-A854 HydrophobicContact CG-CB 4.15Å
432	R	94.9	Very high	94.9	Very high	67 Å²	67	17.4 Å²	17.4	25%	0.253	8%	0.077	S	C	.	.	G	3₁₀ helix	trans	-101.1	17.1	171.7	-69.3	-172.1	-75.5	-97.1	4.9	112.5	R429 G430 S850	R429-R432 PolarHBondContact O-N 3.29Å; G430-R432 PolarHBondContact O-N 3Å; G430-R432 VanDerWaalsContact O-N 3.11Å; R432-S850 WeakPolarHBondContact CD-O 3.18Å; R432-S850 WeakPolarHBondContact CG-O 3.4Å; R432-S850 PolarHBondContact NH1-O 3.36Å
433	S	97	Very high	94.7	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.021	9%	0.092	C	C	.	.			trans	-84.8	155.3	175.9	64.1	0	0	0	0	112.2	C427 G430 L781 Y783	C427-S433 CarbonylContact O-C 3.59Å; C427-S433 VanDerWaalsContact O-CA 3.29Å; C427-S433 WeakPolarHBondContact O-CA 3.09Å; C427-S433 WeakPolarHBondContact O-CB 3.29Å; G430-S433 WeakPolarHBondContact O-CB 3.47Å; G430-S433 PolarHBondContact O-N 3.46Å; G430-S433 PolarHBondContact O-OG 3.07Å; S433-L781 PolarHBondContact O-N 3.16Å; S433-L781 WeakPolarHBondContact OG-CB 3.38Å; S433-Y783 PolarHBondContact OG-O 2.92Å
434	S	97.5	Very high	94.5	Very high	11 Å²	11	21.5 Å²	21.5	8%	0.077	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	153.4	179.4	51.5	0	0	0	0	111.8	C427 F779	C427-S434 PolarHBondContact N-O 3.31Å; C427-S434 PolarHBondContact O-N 3.03Å; C427-S434 VanDerWaalsContact O-O 3.12Å; C427-S434 PolarHBondContact SG-O 2.71Å; C427-S434 PolarHBondContact SG-OG 3.25Å; S434-F779 CarbonylContact C-O 3.57Å; S434-F779 WeakPolarHBondContact CA-O 3.42Å; S434-F779 VanDerWaalsContact CB-O 3.29Å; S434-F779 WeakPolarHBondContact CB-O 3.14Å
435	L	98	Very high	94.1	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122.7	157.8	177.9	76	0	0	0	107.7	V425 F779 L781 F788 L797 I799 M869	V425-L435 CarbonylContact O-C 3.54Å; V425-L435 WeakPolarHBondContact O-CA 3.17Å; L435-F779 HydrophobicContact CD2-CD2 4.3Å; L435-F779 PolarHBondContact N-O 2.82Å; L435-F779 PolarHBondContact O-N 2.92Å; L435-L781 HydrophobicContact CB-CD1 4.34Å; L435-F788 HydrophobicContact CD1-CD1 4.32Å; L435-F788 HydrophobicContact CD1-CE1 4.07Å; L435-L797 HydrophobicContact CD1-CD1 4.26Å; L435-L797 HydrophobicContact CD2-CD1 3.39Å; L435-L797 HydrophobicContact CG-CD1 4.47Å; L435-I799 HydrophobicContact CD2-CD1 4.19Å; L435-M869 HydrophobicContact CD2-SD 3.71Å
436	R	96.7	Very high	93.8	Very high	13 Å²	13	27.5 Å²	27.5	5%	0.049	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	138.5	175.4	-70.2	-178.1	-173.8	-137.6	2.7	111.3	N355 D402 S403 L404 Y424 V425 C427 L438 Q776 V777 A778	N355-R436 PolarHBondContact ND2-NH2 3.26Å; N355-R436 PolarHBondContact OD1-NH2 2.89Å; D402-R436 IonicContact OD1-CZ 3.01Å; D402-R436 IonicContact OD1-NH1 3.53Å; D402-R436 PolarHBondContact OD1-NH1 2.91Å; D402-R436 IonicContact OD1-NH2 2.66Å; S403-R436 PolarHBondContact O-NH2 2.94Å; L404-R436 HydrophobicContact CD2-CB 4.47Å; Y424-R436 CarbonylContact C-O 3.53Å; Y424-R436 WeakPolarHBondContact CA-O 3.48Å; V425-R436 HydrophobicContact CB-CB 4.44Å; V425-R436 PolarHBondContact N-O 2.86Å; V425-R436 PolarHBondContact O-N 2.83Å; C427-R436 WeakPolarHBondContact SG-CD 3.39Å; C427-R436 VanDerWaalsContact SG-CG 3.57Å; R436-L438 HydrophobicContact CB-CD2 4.33Å; R436-Q776 VanDerWaalsContact NH1-CD 3.34Å; R436-V777 CarbonylContact C-O 3.59Å; R436-V777 VanDerWaalsContact CA-O 3.29Å; R436-V777 WeakPolarHBondContact CA-O 3.45Å; R436-A778 HydrophobicContact CG-CB 3.94Å
437	V	96	Very high	93.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	111.3	173.6	-174.2	0	0	0	0	108.1	Q422 L423 Y424 Q776 V777 F779	Q422-V437 HydrophobicContact CB-CG1 4.04Å; Q422-V437 HydrophobicContact CG-CG1 4.42Å; L423-V437 WeakPolarHBondContact O-CA 2.94Å; Y424-V437 HydrophobicContact CD1-CB 4.44Å; Y424-V437 HydrophobicContact CD1-CG1 4.23Å; Y424-V437 HydrophobicContact CD1-CG2 3.7Å; Y424-V437 HydrophobicContact CE1-CB 4.24Å; Y424-V437 HydrophobicContact CE1-CG1 3.67Å; Y424-V437 HydrophobicContact CE1-CG2 3.61Å; V437-Q776 VanDerWaalsContact O-CA 3.31Å; V437-Q776 WeakPolarHBondContact O-CA 3.49Å; V437-V777 PolarHBondContact N-O 3.41Å; V437-V777 PolarHBondContact O-N 2.68Å; V437-F779 HydrophobicContact CG2-CD2 4.3Å; V437-F779 HydrophobicContact CG2-CE2 3.71Å
438	L	94.4	Very high	93.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.7	179.5	-45	-179.8	0	0	0	110	L404 Q422 L423 V425 R436 F774 N775 Q776 I1126	L404-L438 HydrophobicContact CD1-CD1 3.87Å; L404-L438 HydrophobicContact CD2-CD2 4.26Å; Q422-L438 WeakPolarHBondContact CA-O 3.38Å; L423-L438 HydrophobicContact CB-CB 4.07Å; L423-L438 HydrophobicContact CB-CD1 4.28Å; L423-L438 HydrophobicContact CB-CG 4.35Å; L423-L438 HydrophobicContact CD2-CD1 4.46Å; L423-L438 PolarHBondContact N-O 3.43Å; L423-L438 PolarHBondContact O-N 2.81Å; V425-L438 HydrophobicContact CG2-CD1 3.78Å; V425-L438 HydrophobicContact CG2-CG 4.04Å; R436-L438 HydrophobicContact CB-CD2 4.33Å; L438-F774 HydrophobicContact CB-CB 3.98Å; L438-F774 HydrophobicContact CB-CD1 4.2Å; L438-F774 HydrophobicContact CB-CG 4.14Å; L438-N775 CarbonylContact C-O 3.46Å; L438-N775 WeakPolarHBondContact CA-O 3.37Å; L438-Q776 HydrophobicContact CD2-CB 3.43Å; L438-Q776 VanDerWaalsContact CD2-CB 3.43Å; L438-I1126 HydrophobicContact CD1-CD1 3.38Å
439	R	90.8	Very high	92.9	Very high	49 Å²	49	36.3 Å²	36.3	19%	0.185	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.6	175.9	-66.2	-174.9	179.6	82.2	-2.1	109.3	E418 Q422 G441 F774 N775	E418-R439 IonicContact OE1-NE 2.75Å; E418-R439 PolarHBondContact OE1-NE 2.86Å; E418-R439 IonicContact OE1-NH2 3.82Å; E418-R439 IonicContact OE2-NE 3.52Å; Q422-R439 HydrophobicContact CG-CG 3.87Å; R439-G441 PolarHBondContact O-N 3.12Å; R439-F774 CarbonylContact O-C 3.51Å; R439-F774 WeakPolarHBondContact O-CA 3.24Å; R439-N775 PolarHBondContact N-O 3.09Å; R439-N775 PolarHBondContact O-N 3.16Å
440	H	87.4	Confident	92.7	Very high	40 Å²	40	32.6 Å²	32.6	19%	0.185	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	118.6	174.1	173.4	-136.5	0	0	0	109.8	P733 V773 F774 F1217	H440-P733 VanDerWaalsContact CE1-CD 3.45Å; H440-P733 WeakPolarHBondContact CE1-CD 3.38Å; H440-P733 WeakPolarHBondContact NE2-CD 3.3Å; H440-V773 PolarHBondContact CD2-O 2.92Å; H440-F774 HydrophobicContact CB-CD1 4.38Å; H440-F774 HydrophobicContact CB-CE1 4.34Å; H440-F1217 AromaticContact CD2-CD1 3.68Å; H440-F1217 AromaticContact CE1-CD1 3.58Å; H440-F1217 PolarHBondContact CE1-OXT 3.15Å; H440-F1217 AromaticContact NE2-CD1 3.22Å; H440-F1217 WeakPolarHBondContact NE2-CD1 3.39Å; H440-F1217 AromaticContact NE2-CE1 3.95Å; H440-F1217 AromaticContact NE2-CG 3.89Å
441	G	89.1	Confident	92.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	143.8	156.6	177.6	0	0	0	0	0	113.2	R439 P733 S735 V773 N775	R439-G441 PolarHBondContact O-N 3.12Å; G441-P733 CarbonylContact C-O 3.57Å; G441-P733 WeakPolarHBondContact CA-O 3.46Å; G441-S735 PolarHBondContact O-OG 3.06Å; G441-V773 PolarHBondContact N-O 2.89Å; G441-N775 WeakPolarHBondContact O-CB 3.27Å; G441-N775 PolarHBondContact O-N 2.97Å
442	L	89.8	Confident	92.6	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-68.4	141	177.2	-65.4	173.8	0	0	0	110.9	L721 Y723 T732 P733 L734 S735 L770 A772	L442-L721 HydrophobicContact CD1-CB 4.1Å; L442-L721 HydrophobicContact CD1-CD2 3.85Å; L442-Y723 HydrophobicContact CD1-CE1 4.02Å; L442-T732 HydrophobicContact CD1-CG2 4.45Å; L442-T732 HydrophobicContact CD2-CG2 4.15Å; L442-T732 HydrophobicContact CG-CG2 3.72Å; L442-P733 PolarHBondContact N-O 3.11Å; L442-L734 HydrophobicContact CB-CD2 3.93Å; L442-L734 HydrophobicContact CD1-CD2 3.99Å; L442-L734 HydrophobicContact CG-CD2 4.47Å; L442-S735 WeakPolarHBondContact O-CB 3.27Å; L442-S735 PolarHBondContact O-N 3.2Å; L442-L770 HydrophobicContact CD1-CD2 4.2Å; L442-A772 WeakPolarHBondContact CD2-O 3.19Å
443	E	88.9	Confident	92.4	Very high	70 Å²	70	42 Å²	42	33%	0.327	23%	0.228	S	C	.	.			trans	-66.5	137.8	167.1	-171.5	176.2	-178.7	0	0	109.6	K769	E443-K769 WeakPolarHBondContact OE2-CD 3.31Å; E443-K769 WeakPolarHBondContact OE2-CE 3.29Å; E443-K769 IonicContact OE2-NZ 2.65Å; E443-K769 PolarHBondContact OE2-NZ 2.83Å
444	V	90.7	Very high	92.2	Very high	20 Å²	20	43.1 Å²	43.1	12%	0.121	24%	0.24	C	C	.	.			trans	-121.5	118.7	179.9	-175.6	0	0	0	0	108.5	L734 Y736 L765 L767	V444-L734 HydrophobicContact CG2-CB 3.88Å; V444-L734 HydrophobicContact CG2-CD1 4.41Å; V444-L734 HydrophobicContact CG2-CD2 4.34Å; V444-L734 HydrophobicContact CG2-CG 4.43Å; V444-Y736 HydrophobicContact CB-CD2 3.88Å; V444-Y736 HydrophobicContact CB-CG 4.19Å; V444-Y736 HydrophobicContact CG1-CD2 3.91Å; V444-Y736 HydrophobicContact CG1-CE2 4.31Å; V444-Y736 HydrophobicContact CG1-CG 4.14Å; V444-Y736 HydrophobicContact CG2-CD2 4.46Å; V444-Y736 HydrophobicContact CG2-CG 4.32Å; V444-L765 HydrophobicContact CG1-CB 3.91Å; V444-L765 HydrophobicContact CG1-CD1 4.12Å; V444-L765 HydrophobicContact CG1-CD2 4Å; V444-L765 HydrophobicContact CG1-CG 4.22Å; V444-L767 HydrophobicContact CB-CD2 4.17Å; V444-L767 HydrophobicContact CG1-CD2 4.1Å; V444-L767 HydrophobicContact CG2-CD2 3.68Å
445	S	90.4	Very high	92	Very high	32 Å²	32	47.7 Å²	47.7	22%	0.224	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	118	174.7	-59.9	0	0	0	0	109.3	M447 L765 A766	S445-M447 PolarHBondContact O-N 3.42Å; S445-L765 CarbonylContact O-C 3.55Å; S445-L765 WeakPolarHBondContact O-CA 3.34Å; S445-A766 PolarHBondContact N-O 2.8Å; S445-A766 PolarHBondContact O-N 2.91Å
446	E	91.8	Very high	91.9	Very high	95 Å²	95	47.9 Å²	47.9	44%	0.444	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	108.2	174.9	-176.7	176.4	96.9	0	0	109.9	V449 Y736 R763 L765	E446-V449 HydrophobicContact CG-CG2 3.72Å; E446-V449 WeakPolarHBondContact OE1-CG2 3.44Å; E446-Y736 PolarHBondContact OE2-OH 3.31Å; E446-R763 IonicContact OE2-CZ 3.27Å; E446-R763 IonicContact OE2-NH1 3.13Å; E446-R763 PolarHBondContact OE2-NH1 2.88Å; E446-L765 HydrophobicContact CB-CD2 4.4Å; E446-L765 HydrophobicContact CG-CD2 4.41Å
447	M	89.6	Confident	91.8	Very high	90 Å²	90	51.1 Å²	51.1	44%	0.443	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-35.4	-176.1	-57.6	-60.3	-70.6	0	0	112.2	S445 I764 A766	S445-M447 PolarHBondContact O-N 3.42Å; M447-I764 HydrophobicContact CB-CB 4.28Å; M447-I764 HydrophobicContact CB-CG2 4.04Å; M447-I764 WeakPolarHBondContact CB-O 3.36Å; M447-I764 PolarHBondContact N-O 2.99Å; M447-A766 HydrophobicContact CG-CB 4.07Å; M447-A766 HydrophobicContact SD-CB 4.24Å
448	A	90.1	Very high	91.8	Very high	38 Å²	38	51.5 Å²	51.5	31%	0.314	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	149.7	178.7	0	0	0	0	0	111.8	R763 I764	A448-R763 CarbonylContact O-C 3.56Å; A448-R763 WeakPolarHBondContact O-CA 3.33Å; A448-I764 HydrophobicContact CB-CB 4.18Å; A448-I764 HydrophobicContact CB-CD1 4.13Å; A448-I764 HydrophobicContact CB-CG1 4.29Å; A448-I764 PolarHBondContact N-O 3.13Å; A448-I764 PolarHBondContact O-N 2.96Å
449	V	92	Very high	92	Very high	62 Å²	62	51.4 Å²	51.4	38%	0.376	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134	169.6	-177.8	0	0	0	0	108.8	E446 T761 L762 R763	E446-V449 HydrophobicContact CG-CG2 3.72Å; E446-V449 WeakPolarHBondContact OE1-CG2 3.44Å; V449-T761 HydrophobicContact CG1-CG2 4.24Å; V449-L762 CarbonylContact C-O 3.58Å; V449-L762 WeakPolarHBondContact CA-O 3.39Å; V449-R763 HydrophobicContact CG1-CG 4.45Å; V449-R763 HydrophobicContact CG2-CG 4.28Å
450	S	92.4	Very high	92.3	Very high	54 Å²	54	50.8 Å²	50.8	38%	0.378	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.8	176.8	-58.6	0	0	0	0	110.2	T761 L762	S450-T761 CarbonylContact O-C 3.56Å; S450-T761 WeakPolarHBondContact O-CA 3.19Å; S450-L762 PolarHBondContact N-O 2.81Å; S450-L762 PolarHBondContact O-N 2.79Å
451	E	93.4	Very high	92.7	Very high	168 Å²	168	49.7 Å²	49.7	79%	0.785	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	134.7	173	-68.7	-172.8	172.1	0	0	110.3
452	L	93.6	Very high	93	Very high	15 Å²	15	49.9 Å²	49.9	8%	0.079	28%	0.281	C	S	.	.			trans	-101.1	154.7	176	-66.8	173.8	0	0	0	110.2	G454 P456 V476 F478 L483 N760 L762	L452-G454 PolarHBondContact O-N 3.23Å; L452-P456 HydrophobicContact CD1-CB 4.22Å; L452-P456 HydrophobicContact CD1-CG 3.52Å; L452-V476 HydrophobicContact CD1-CG1 4.01Å; L452-V476 HydrophobicContact CD2-CG1 4.5Å; L452-F478 HydrophobicContact CB-CZ 4.35Å; L452-L483 HydrophobicContact CD2-CD2 4.36Å; L452-N760 WeakPolarHBondContact CB-O 3.48Å; L452-N760 PolarHBondContact N-O 3.05Å; L452-L762 HydrophobicContact CD1-CB 3.99Å; L452-L762 HydrophobicContact CD2-CB 4.16Å; L452-L762 HydrophobicContact CG-CB 4.04Å
453	P	91	Very high	93.1	Very high	116 Å²	116	54 Å²	54	75%	0.753	30%	0.296	S	S	*	.	S	Bend	trans	-63.9	-8	-178	25.1	-35.6	0	0	0	114.6	F478	P453-F478 HydrophobicContact CG-CE1 4.36Å; P453-F478 HydrophobicContact CG-CE2 4.35Å; P453-F478 HydrophobicContact CG-CZ 3.81Å
454	G	92.3	Very high	93.2	Very high	27 Å²	27	57.2 Å²	57.2	28%	0.278	31%	0.306	S	S	.	.	S	Bend	trans	-173.7	-167.5	176	0	0	0	0	0	110.5	L452 P456	L452-G454 PolarHBondContact O-N 3.23Å; G454-P456 WeakPolarHBondContact O-CD 3.29Å
455	N	94.6	Very high	93.4	Very high	108 Å²	108	59 Å²	59	58%	0.578	31%	0.312	S	S	*	.			trans	-82.5	110.4	175.8	-61.5	-13	0	0	0	109.4	N760	N455-N760 WeakPolarHBondContact OD1-CB 3.48Å
456	P	95.7	Very high	93.3	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.032	32%	0.319	C	S	.	.			trans	-74.4	159.8	174.1	36.1	-40.7	0	0	0	111.4	L452 G454 V476 F478 I757 T759	L452-P456 HydrophobicContact CD1-CB 4.22Å; L452-P456 HydrophobicContact CD1-CG 3.52Å; G454-P456 WeakPolarHBondContact O-CD 3.29Å; P456-V476 HydrophobicContact CB-CG1 3.44Å; P456-V476 VanDerWaalsContact CB-CG1 3.44Å; P456-V476 HydrophobicContact CG-CG1 4.19Å; P456-F478 HydrophobicContact CB-CD1 4.11Å; P456-F478 HydrophobicContact CB-CE1 3.83Å; P456-F478 HydrophobicContact CB-CZ 4.23Å; P456-I757 HydrophobicContact CB-CD1 3.73Å; P456-I757 HydrophobicContact CB-CG1 4.46Å; P456-I757 HydrophobicContact CG-CB 4.18Å; P456-I757 HydrophobicContact CG-CD1 3.41Å; P456-I757 VanDerWaalsContact CG-CD1 3.41Å; P456-I757 HydrophobicContact CG-CG1 3.63Å; P456-I757 HydrophobicContact CG-CG2 3.45Å; P456-I757 VanDerWaalsContact CG-CG2 3.45Å; P456-T759 WeakPolarHBondContact CD-O 3.48Å
457	N	93.6	Very high	93.3	Very high	81 Å²	81	64 Å²	64	43%	0.433	33%	0.334	S	S	.	.	S	Bend	trans	-96.3	-29.9	177.3	-64.2	-30.2	0	0	0	112.7	S477 F478 V479 F741	N457-S477 PolarHBondContact N-O 2.83Å; N457-F478 VanDerWaalsContact ND2-C 3.31Å; N457-F478 PolarHBondContact ND2-O 3.17Å; N457-V479 VanDerWaalsContact ND2-CA 3.32Å; N457-V479 WeakPolarHBondContact ND2-CA 3.5Å; N457-V479 WeakPolarHBondContact ND2-CG2 3.28Å; N457-V479 PolarHBondContact ND2-N 2.84Å; N457-V479 VanDerWaalsContact ND2-N 3.2Å; N457-F741 WeakPolarHBondContact O-CD2 3.33Å
458	A	96.6	Very high	93.5	Very high	7 Å²	7	62.6 Å²	62.6	6%	0.058	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	155.7	-173.5	0	0	0	0	0	112	W460 S477 F741 I757	A458-W460 HydrophobicContact CB-CE3 4.33Å; A458-W460 HydrophobicContact CB-CH2 3.21Å; A458-W460 HydrophobicContact CB-CZ2 3.73Å; A458-W460 HydrophobicContact CB-CZ3 3.56Å; A458-S477 PolarHBondContact N-O 2.89Å; A458-S477 PolarHBondContact O-N 3.04Å; A458-F741 HydrophobicContact CB-CD1 4.04Å; A458-F741 HydrophobicContact CB-CD2 3.88Å; A458-F741 HydrophobicContact CB-CE1 3.83Å; A458-F741 HydrophobicContact CB-CE2 3.66Å; A458-F741 HydrophobicContact CB-CG 4.07Å; A458-F741 HydrophobicContact CB-CZ 3.63Å; A458-I757 VanDerWaalsContact C-CD1 3.43Å
459	V	97.4	Very high	93.4	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	141.3	175.5	62.8	0	0	0	0	110.5	I474 I475 V476 F741 V755 I757 L762	V459-I474 HydrophobicContact CG2-CG2 3.54Å; V459-I475 CarbonylContact C-O 3.57Å; V459-I475 VanDerWaalsContact CA-O 3.27Å; V459-I475 WeakPolarHBondContact CA-O 3.41Å; V459-V476 HydrophobicContact CG2-CG2 4.27Å; V459-F741 HydrophobicContact CG1-CD1 4.09Å; V459-F741 VanDerWaalsContact N-CD1 3.29Å; V459-F741 WeakPolarHBondContact O-CD1 3.33Å; V459-F741 VanDerWaalsContact O-CE1 3.25Å; V459-F741 WeakPolarHBondContact O-CE1 3.33Å; V459-V755 HydrophobicContact CG1-CG1 4.35Å; V459-V755 HydrophobicContact CG2-CG1 3.92Å; V459-V755 HydrophobicContact CG2-CG2 4.04Å; V459-I757 HydrophobicContact CB-CD1 3.58Å; V459-I757 HydrophobicContact CB-CG1 4.05Å; V459-I757 HydrophobicContact CG1-CD1 3.75Å; V459-I757 HydrophobicContact CG1-CG1 3.9Å; V459-L762 HydrophobicContact CG2-CD1 3.93Å
460	W	97.4	Very high	93.5	Very high	35 Å²	35	69 Å²	69	13%	0.133	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	159.5	172.4	-61.2	-87.6	0	0	0	110.8	A458 I474 I475 T505 L506 C508 F741	A458-W460 HydrophobicContact CB-CE3 4.33Å; A458-W460 HydrophobicContact CB-CH2 3.21Å; A458-W460 HydrophobicContact CB-CZ2 3.73Å; A458-W460 HydrophobicContact CB-CZ3 3.56Å; W460-I474 CarbonylContact O-C 3.58Å; W460-I474 WeakPolarHBondContact O-CA 3.33Å; W460-I475 PolarHBondContact N-O 2.88Å; W460-I475 PolarHBondContact O-N 3.31Å; W460-T505 HydrophobicContact CE3-CG2 4.39Å; W460-T505 HydrophobicContact CH2-CG2 4.37Å; W460-T505 WeakPolarHBondContact CH2-O 3.24Å; W460-T505 HydrophobicContact CZ3-CG2 3.92Å; W460-L506 VanDerWaalsContact CZ2-O 3.28Å; W460-L506 WeakPolarHBondContact CZ2-O 3.27Å; W460-C508 VanDerWaalsContact CB-SG 3.53Å; W460-F741 HydrophobicContact CZ2-CE1 4.28Å; W460-F741 AromaticContact CZ2-CZ 3.9Å; W460-F741 HydrophobicContact CZ2-CZ 3.9Å
461	T	96.2	Very high	93.6	Very high	18 Å²	18	67.3 Å²	67.3	11%	0.11	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	150.9	163.7	66.7	0	0	0	0	110.1	D471 Y473 I474 S743 G744 F745 V755	T461-D471 VanDerWaalsContact CB-CG 3.45Å; T461-D471 VanDerWaalsContact CB-OD2 3.22Å; T461-D471 WeakPolarHBondContact CB-OD2 3.35Å; T461-D471 VanDerWaalsContact OG1-CG 3.27Å; T461-D471 PolarHBondContact OG1-OD1 3.11Å; T461-D471 PolarHBondContact OG1-OD2 3.04Å; T461-Y473 CarbonylContact C-O 3.59Å; T461-Y473 VanDerWaalsContact CA-O 3.28Å; T461-Y473 WeakPolarHBondContact CA-O 3.48Å; T461-I474 HydrophobicContact CG2-CG1 4.49Å; T461-S743 PolarHBondContact N-OG 2.79Å; T461-G744 VanDerWaalsContact CG2-O 3.24Å; T461-G744 WeakPolarHBondContact CG2-O 3.34Å; T461-G744 PolarHBondContact OG1-O 2.85Å; T461-F745 HydrophobicContact CG2-CB 4.21Å; T461-F745 HydrophobicContact CG2-CD2 3.89Å; T461-V755 HydrophobicContact CG2-CB 4.4Å; T461-V755 HydrophobicContact CG2-CG1 3.49Å; T461-V755 VanDerWaalsContact CG2-CG1 3.49Å
462	V	95.1	Very high	93.6	Very high	3 Å²	3	60 Å²	60	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	136.9	176	-63.9	0	0	0	0	111.3	A472 Y473 I475 L516	V462-A472 PolarHBondContact O-N 2.81Å; V462-Y473 HydrophobicContact CG2-CD2 3.91Å; V462-Y473 HydrophobicContact CG2-CG 4.35Å; V462-Y473 PolarHBondContact N-O 2.82Å; V462-Y473 PolarHBondContact O-N 2.79Å; V462-Y473 VanDerWaalsContact O-N 3.08Å; V462-I475 HydrophobicContact CG2-CD1 4.39Å; V462-I475 HydrophobicContact CG2-CG1 4.24Å; V462-L516 HydrophobicContact CB-CD2 4.29Å; V462-L516 HydrophobicContact CG2-CD2 4.4Å
463	R	93.6	Very high	93.7	Very high	89 Å²	89	60.1 Å²	60.1	34%	0.336	30%	0.301	S	S	.	.			trans	-80.4	156.6	166	-64.4	-171.3	-86.4	156.8	5.1	110.6	I466 D468 F470 D471 L516	R463-I466 PolarHBondContact NH1-O 2.86Å; R463-D468 HydrophobicContact CB-CB 4.39Å; R463-D468 WeakPolarHBondContact CD-O 3.32Å; R463-D468 PolarHBondContact NH1-O 3.18Å; R463-F470 WeakPolarHBondContact CG-O 3.22Å; R463-D471 WeakPolarHBondContact CG-OD1 3.41Å; R463-L516 VanDerWaalsContact O-CD2 3.28Å; R463-L516 WeakPolarHBondContact O-CD2 3.03Å
464	R	91	Very high	94	Very high	139 Å²	139	54.6 Å²	54.6	53%	0.525	27%	0.265	S	S	.	.	S	Bend	trans	-83.9	-37.3	173.4	-79.5	174.4	-178.1	-170.5	3.2	111.5	D468 A472 Y473 L510	R464-D468 PolarHBondContact N-OD2 2.92Å; R464-A472 HydrophobicContact CB-CB 4.39Å; R464-A472 HydrophobicContact CG-CB 3.63Å; R464-Y473 HydrophobicContact CG-CE2 4.11Å; R464-Y473 VanDerWaalsContact CZ-OH 3.3Å; R464-Y473 PolarHBondContact NE-OH 2.92Å; R464-Y473 VanDerWaalsContact NE-OH 3.16Å; R464-Y473 PolarHBondContact NH2-OH 3.14Å; R464-L510 WeakPolarHBondContact O-CD1 3.41Å
465	H	93	Very high	94.2	Very high	57 Å²	57	53.3 Å²	53.3	26%	0.264	25%	0.252	S	S	.	.	S	Bend	trans	-130.9	151.7	-179.3	-164.4	-99.9	0	0	0	110.9	E467 D468 D513	H465-E467 IonicContact CE1-OE2 3.82Å; H465-E467 WeakPolarHBondContact ND1-CB 3.33Å; H465-E467 PolarHBondContact ND1-N 3.19Å; H465-E467 IonicContact ND1-OE2 3.66Å; H465-E467 PolarHBondContact O-N 3.06Å; H465-D468 WeakPolarHBondContact CB-OD2 3.34Å; H465-D468 PolarHBondContact N-OD2 2.89Å; H465-D468 WeakPolarHBondContact O-CB 3.48Å; H465-D468 PolarHBondContact O-N 2.87Å; H465-D468 VanDerWaalsContact O-N 3.13Å; H465-D513 CarbonylContact C-O 3.56Å; H465-D513 WeakPolarHBondContact CA-O 3.36Å; H465-D513 PolarHBondContact CD2-O 2.85Å
466	I	90.2	Very high	94.3	Very high	72 Å²	72	48.2 Å²	48.2	37%	0.369	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-31.4	-179.2	-168.8	167	0	0	0	112.8	R463 D468 L510 D513	R463-I466 PolarHBondContact NH1-O 2.86Å; I466-D468 VanDerWaalsContact C-N 3.32Å; I466-L510 HydrophobicContact CB-CD2 3.97Å; I466-L510 HydrophobicContact CG1-CD2 4.48Å; I466-D513 HydrophobicContact CG2-CB 4.23Å; I466-D513 PolarHBondContact N-O 3.24Å
467	E	91.4	Very high	94.4	Very high	161 Å²	161	48.1 Å²	48.1	75%	0.752	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-8.8	177.4	-57.6	179.3	166.1	0	0	113.2	H465 E469	H465-E467 IonicContact CE1-OE2 3.82Å; H465-E467 WeakPolarHBondContact ND1-CB 3.33Å; H465-E467 PolarHBondContact ND1-N 3.19Å; H465-E467 IonicContact ND1-OE2 3.66Å; H465-E467 PolarHBondContact O-N 3.06Å; E467-E469 PolarHBondContact O-N 2.84Å
468	D	92.7	Very high	94.6	Very high	59 Å²	59	45.5 Å²	45.5	32%	0.316	21%	0.209	S	C	.	.			trans	-66.8	132.1	176.2	-66.9	-23.4	0	0	0	109.7	R463 R464 H465 I466 F470	R463-D468 HydrophobicContact CB-CB 4.39Å; R463-D468 WeakPolarHBondContact CD-O 3.32Å; R463-D468 PolarHBondContact NH1-O 3.18Å; R464-D468 PolarHBondContact N-OD2 2.92Å; H465-D468 WeakPolarHBondContact CB-OD2 3.34Å; H465-D468 PolarHBondContact N-OD2 2.89Å; H465-D468 WeakPolarHBondContact O-CB 3.48Å; H465-D468 PolarHBondContact O-N 2.87Å; H465-D468 VanDerWaalsContact O-N 3.13Å; I466-D468 VanDerWaalsContact C-N 3.32Å; D468-F470 VanDerWaalsContact C-N 3.35Å
469	E	88.7	Confident	94.4	Very high	158 Å²	158	49.6 Å²	49.6	74%	0.738	23%	0.233	S	C	*	.	S	Bend	trans	-74.4	-27.9	176.5	-65.1	-173.6	165	0	0	112.2	E467	E467-E469 PolarHBondContact O-N 2.84Å
470	F	93.8	Very high	94.2	Very high	76 Å²	76	55.9 Å²	55.9	33%	0.333	27%	0.267	S	S	.	.	S	Bend	trans	-121.2	151.2	-172.6	-54	-55.1	0	0	0	112.7	R463 D468 S747 E748	R463-F470 WeakPolarHBondContact CG-O 3.22Å; D468-F470 VanDerWaalsContact C-N 3.35Å; F470-S747 VanDerWaalsContact CE1-C 3.4Å; F470-S747 WeakPolarHBondContact CE1-O 3.34Å; F470-E748 HydrophobicContact CE2-CB 4.11Å; F470-E748 HydrophobicContact CZ-CB 4.09Å; F470-E748 HydrophobicContact CZ-CG 4.49Å
471	D	94.5	Very high	94.1	Very high	19 Å²	19	56 Å²	56	10%	0.102	28%	0.275	C	S	.	.			trans	-67.4	142.1	173.4	-69.3	-46	0	0	0	110.9	T461 R463 I487 F745 A746	T461-D471 VanDerWaalsContact CB-CG 3.45Å; T461-D471 VanDerWaalsContact CB-OD2 3.22Å; T461-D471 WeakPolarHBondContact CB-OD2 3.35Å; T461-D471 VanDerWaalsContact OG1-CG 3.27Å; T461-D471 PolarHBondContact OG1-OD1 3.11Å; T461-D471 PolarHBondContact OG1-OD2 3.04Å; R463-D471 WeakPolarHBondContact CG-OD1 3.41Å; D471-I487 HydrophobicContact CB-CD1 3.46Å; D471-I487 VanDerWaalsContact CB-CD1 3.46Å; D471-I487 WeakPolarHBondContact O-CB 3.37Å; D471-I487 WeakPolarHBondContact O-CD1 3.38Å; D471-F745 WeakPolarHBondContact OD2-CA 3.44Å; D471-A746 PolarHBondContact N-O 2.87Å; D471-A746 PolarHBondContact OD2-N 3.1Å
472	A	93.8	Very high	94.1	Very high	15 Å²	15	55.7 Å²	55.7	12%	0.124	27%	0.273	C	S	.	.			trans	-101	-31	-178.3	0	0	0	0	0	113	V462 R464 S486 I487	V462-A472 PolarHBondContact O-N 2.81Å; R464-A472 HydrophobicContact CB-CB 4.39Å; R464-A472 HydrophobicContact CG-CB 3.63Å; A472-S486 WeakPolarHBondContact O-CA 3.4Å; A472-I487 PolarHBondContact O-N 2.8Å
473	Y	95.7	Very high	94.2	Very high	18 Å²	18	56.7 Å²	56.7	7%	0.071	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.7	-179.7	-52.8	-66.9	0	0	0	112.9	T461 V462 R464 V484 L485 V494 L516	T461-Y473 CarbonylContact C-O 3.59Å; T461-Y473 VanDerWaalsContact CA-O 3.28Å; T461-Y473 WeakPolarHBondContact CA-O 3.48Å; V462-Y473 HydrophobicContact CG2-CD2 3.91Å; V462-Y473 HydrophobicContact CG2-CG 4.35Å; V462-Y473 PolarHBondContact N-O 2.82Å; V462-Y473 PolarHBondContact O-N 2.79Å; V462-Y473 VanDerWaalsContact O-N 3.08Å; R464-Y473 HydrophobicContact CG-CE2 4.11Å; R464-Y473 VanDerWaalsContact CZ-OH 3.3Å; R464-Y473 PolarHBondContact NE-OH 2.92Å; R464-Y473 VanDerWaalsContact NE-OH 3.16Å; R464-Y473 PolarHBondContact NH2-OH 3.14Å; Y473-V484 HydrophobicContact CD1-CG1 4.02Å; Y473-V484 HydrophobicContact CG-CG1 4.19Å; Y473-L485 CarbonylContact C-O 3.59Å; Y473-L485 WeakPolarHBondContact CA-O 3.43Å; Y473-V494 HydrophobicContact CE1-CG1 4.46Å; Y473-L516 HydrophobicContact CD2-CD1 4.43Å; Y473-L516 HydrophobicContact CE2-CD1 4.29Å
474	I	96.2	Very high	94.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.7	161.8	-53.6	175.9	0	0	0	107.7	V459 W460 T461 V476 L485 I487 V491 F745 V755 L762	V459-I474 HydrophobicContact CG2-CG2 3.54Å; W460-I474 CarbonylContact O-C 3.58Å; W460-I474 WeakPolarHBondContact O-CA 3.33Å; T461-I474 HydrophobicContact CG2-CG1 4.49Å; I474-V476 HydrophobicContact CG2-CG2 4.05Å; I474-L485 HydrophobicContact CB-CB 4.26Å; I474-L485 PolarHBondContact N-O 2.97Å; I474-L485 PolarHBondContact O-N 3.44Å; I474-I487 HydrophobicContact CD1-CD1 4.43Å; I474-I487 HydrophobicContact CD1-CG1 4.14Å; I474-I487 HydrophobicContact CG1-CD1 3.67Å; I474-I487 HydrophobicContact CG1-CG1 3.66Å; I474-V491 HydrophobicContact CD1-CG1 4.44Å; I474-F745 HydrophobicContact CD1-CE2 4.16Å; I474-V755 HydrophobicContact CD1-CG2 4.37Å; I474-V755 HydrophobicContact CG2-CG2 4.27Å; I474-L762 HydrophobicContact CD1-CD2 4.24Å; I474-L762 HydrophobicContact CG2-CD1 4.37Å; I474-L762 HydrophobicContact CG2-CD2 4.35Å
475	I	97.1	Very high	94.5	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.9	179.8	-47.7	-58.6	0	0	0	108.5	V459 W460 V462 T482 V484 F499	V459-I475 CarbonylContact C-O 3.57Å; V459-I475 VanDerWaalsContact CA-O 3.27Å; V459-I475 WeakPolarHBondContact CA-O 3.41Å; W460-I475 PolarHBondContact N-O 2.88Å; W460-I475 PolarHBondContact O-N 3.31Å; V462-I475 HydrophobicContact CG2-CD1 4.39Å; V462-I475 HydrophobicContact CG2-CG1 4.24Å; I475-T482 HydrophobicContact CG2-CG2 3.57Å; I475-V484 HydrophobicContact CD1-CB 4.13Å; I475-V484 HydrophobicContact CD1-CG1 3.65Å; I475-V484 HydrophobicContact CD1-CG2 3.74Å; I475-F499 HydrophobicContact CD1-CD2 3.96Å; I475-F499 HydrophobicContact CD1-CE1 4.31Å; I475-F499 HydrophobicContact CD1-CE2 3.66Å; I475-F499 HydrophobicContact CD1-CG 4.4Å; I475-F499 HydrophobicContact CD1-CZ 3.87Å; I475-F499 HydrophobicContact CG1-CE1 4.33Å; I475-F499 HydrophobicContact CG1-CE2 4.34Å; I475-F499 HydrophobicContact CG1-CZ 4.04Å; I475-F499 HydrophobicContact CG2-CE1 4.48Å
476	V	97.3	Very high	94.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116	-179.4	-175.7	0	0	0	0	109.1	L452 P456 V459 I474 F478 L483 L485 L762	L452-V476 HydrophobicContact CD1-CG1 4.01Å; L452-V476 HydrophobicContact CD2-CG1 4.5Å; P456-V476 HydrophobicContact CB-CG1 3.44Å; P456-V476 VanDerWaalsContact CB-CG1 3.44Å; P456-V476 HydrophobicContact CG-CG1 4.19Å; V459-V476 HydrophobicContact CG2-CG2 4.27Å; I474-V476 HydrophobicContact CG2-CG2 4.05Å; V476-F478 HydrophobicContact CB-CE2 4.41Å; V476-F478 HydrophobicContact CG1-CE2 3.84Å; V476-F478 HydrophobicContact CG1-CZ 3.87Å; V476-L483 HydrophobicContact CB-CB 4.28Å; V476-L483 PolarHBondContact N-O 3.09Å; V476-L483 PolarHBondContact O-N 2.66Å; V476-L485 HydrophobicContact CG2-CD1 4.36Å; V476-L762 HydrophobicContact CG2-CD1 4.37Å
477	S	97.6	Very high	94.4	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129.7	178	-172.8	0	0	0	0	111.3	N457 A458 P504 T505	N457-S477 PolarHBondContact N-O 2.83Å; A458-S477 PolarHBondContact N-O 2.89Å; A458-S477 PolarHBondContact O-N 3.04Å; S477-P504 WeakPolarHBondContact OG-CA 3.45Å; S477-T505 WeakPolarHBondContact CB-O 3.11Å; S477-T505 PolarHBondContact OG-N 3.14Å; S477-T505 PolarHBondContact OG-O 2.82Å
478	F	96.7	Very high	94	Very high	27 Å²	27	38.7 Å²	38.7	12%	0.118	22%	0.222	C	C	.	.			trans	-100.7	-178.9	168.2	-62.5	-85.9	0	0	0	110.3	L452 P453 P456 N457 V476 N480 A481 L483 P504	L452-F478 HydrophobicContact CB-CZ 4.35Å; P453-F478 HydrophobicContact CG-CE1 4.36Å; P453-F478 HydrophobicContact CG-CE2 4.35Å; P453-F478 HydrophobicContact CG-CZ 3.81Å; P456-F478 HydrophobicContact CB-CD1 4.11Å; P456-F478 HydrophobicContact CB-CE1 3.83Å; P456-F478 HydrophobicContact CB-CZ 4.23Å; N457-F478 VanDerWaalsContact ND2-C 3.31Å; N457-F478 PolarHBondContact ND2-O 3.17Å; V476-F478 HydrophobicContact CB-CE2 4.41Å; V476-F478 HydrophobicContact CG1-CE2 3.84Å; V476-F478 HydrophobicContact CG1-CZ 3.87Å; F478-N480 VanDerWaalsContact C-N 3.29Å; F478-N480 PolarHBondContact O-N 3.39Å; F478-A481 WeakPolarHBondContact CA-O 3.46Å; F478-A481 PolarHBondContact N-O 2.68Å; F478-L483 HydrophobicContact CD2-CB 4.47Å; F478-L483 HydrophobicContact CE2-CB 3.8Å; F478-L483 HydrophobicContact CE2-CD2 4.25Å; F478-P504 WeakPolarHBondContact O-CB 3.31Å
479	V	93.6	Very high	93.1	Very high	92 Å²	92	44.9 Å²	44.9	56%	0.558	25%	0.249	S	C	*	.	S	Bend	trans	-63.1	-35.6	177.8	179	0	0	0	0	112.1	N457	N457-V479 VanDerWaalsContact ND2-CA 3.32Å; N457-V479 WeakPolarHBondContact ND2-CA 3.5Å; N457-V479 WeakPolarHBondContact ND2-CG2 3.28Å; N457-V479 PolarHBondContact ND2-N 2.84Å; N457-V479 VanDerWaalsContact ND2-N 3.2Å
480	N	92.7	Very high	92.5	Very high	133 Å²	133	41.8 Å²	41.8	71%	0.711	24%	0.241	S	C	*	.	S	Bend	trans	-126.4	5.3	-172.7	-64.5	-32.6	0	0	0	114.2	F478	F478-N480 VanDerWaalsContact C-N 3.29Å; F478-N480 PolarHBondContact O-N 3.39Å
481	A	95.5	Very high	91.9	Very high	37 Å²	37	41 Å²	41	31%	0.306	24%	0.243	S	C	.	.			trans	-156.2	162.6	-173.7	0	0	0	0	0	111.4	F478 G501 T503	F478-A481 WeakPolarHBondContact CA-O 3.46Å; F478-A481 PolarHBondContact N-O 2.68Å; A481-G501 CarbonylContact C-O 3.6Å; A481-G501 VanDerWaalsContact CA-O 3.28Å; A481-G501 WeakPolarHBondContact CA-O 3.4Å; A481-G501 WeakPolarHBondContact CB-O 3.5Å; A481-T503 CarbonylContact C-O 3.57Å; A481-T503 VanDerWaalsContact C-O 3.32Å
482	T	96.4	Very high	91.6	Very high	11 Å²	11	45.9 Å²	45.9	7%	0.067	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.6	170.2	-63.3	0	0	0	0	108.5	I475 V484 G501 T503 T505	I475-T482 HydrophobicContact CG2-CG2 3.57Å; T482-V484 HydrophobicContact CG2-CG2 4.35Å; T482-G501 PolarHBondContact N-O 2.74Å; T482-G501 VanDerWaalsContact O-CA 3.28Å; T482-G501 WeakPolarHBondContact O-CA 3.43Å; T482-T503 PolarHBondContact N-O 3.04Å; T482-T503 PolarHBondContact OG1-O 3.44Å; T482-T505 WeakPolarHBondContact CG2-OG1 3.42Å; T482-T505 PolarHBondContact OG1-N 2.84Å; T482-T505 PolarHBondContact OG1-OG1 3.43Å
483	L	96.1	Very high	91.5	Very high	25 Å²	25	51.7 Å²	51.7	13%	0.131	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.2	173.4	177.4	67.3	0	0	0	108.7	L452 V476 F478 L485 E493	L452-L483 HydrophobicContact CD2-CD2 4.36Å; V476-L483 HydrophobicContact CB-CB 4.28Å; V476-L483 PolarHBondContact N-O 3.09Å; V476-L483 PolarHBondContact O-N 2.66Å; F478-L483 HydrophobicContact CD2-CB 4.47Å; F478-L483 HydrophobicContact CE2-CB 3.8Å; F478-L483 HydrophobicContact CE2-CD2 4.25Å; L483-L485 HydrophobicContact CD1-CD2 4.24Å; L483-L485 HydrophobicContact CD2-CD2 4.03Å; L483-L485 HydrophobicContact CD2-CG 4.43Å; L483-L485 HydrophobicContact CG-CD2 3.95Å; L483-L485 HydrophobicContact CG-CG 4.28Å; L483-E493 HydrophobicContact CD1-CB 4.42Å; L483-E493 VanDerWaalsContact CD1-CD 3.44Å; L483-E493 HydrophobicContact CD1-CG 3.63Å
484	V	96.1	Very high	91.3	Very high	7 Å²	7	52 Å²	52	4%	0.042	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.5	178.1	178.9	0	0	0	0	108.5	Y473 I475 T482 E493 V494 F499	Y473-V484 HydrophobicContact CD1-CG1 4.02Å; Y473-V484 HydrophobicContact CG-CG1 4.19Å; I475-V484 HydrophobicContact CD1-CB 4.13Å; I475-V484 HydrophobicContact CD1-CG1 3.65Å; I475-V484 HydrophobicContact CD1-CG2 3.74Å; T482-V484 HydrophobicContact CG2-CG2 4.35Å; V484-E493 WeakPolarHBondContact O-CA 3.39Å; V484-V494 HydrophobicContact CG1-CB 4.46Å; V484-V494 PolarHBondContact O-N 3.47Å; V484-F499 HydrophobicContact CG2-CB 3.79Å; V484-F499 HydrophobicContact CG2-CD2 4.16Å; V484-F499 HydrophobicContact CG2-CG 4.06Å
485	L	94.9	Very high	90.9	Very high	18 Å²	18	58 Å²	58	9%	0.094	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.5	178.7	-52	171.8	0	0	0	109.3	Y473 I474 V476 L483 V491 E492 E493 L762	Y473-L485 CarbonylContact C-O 3.59Å; Y473-L485 WeakPolarHBondContact CA-O 3.43Å; I474-L485 HydrophobicContact CB-CB 4.26Å; I474-L485 PolarHBondContact N-O 2.97Å; I474-L485 PolarHBondContact O-N 3.44Å; V476-L485 HydrophobicContact CG2-CD1 4.36Å; L483-L485 HydrophobicContact CD1-CD2 4.24Å; L483-L485 HydrophobicContact CD2-CD2 4.03Å; L483-L485 HydrophobicContact CD2-CG 4.43Å; L483-L485 HydrophobicContact CG-CD2 3.95Å; L483-L485 HydrophobicContact CG-CG 4.28Å; L485-V491 HydrophobicContact CB-CG1 3.49Å; L485-V491 VanDerWaalsContact CB-CG1 3.49Å; L485-V491 HydrophobicContact CD1-CG1 3.69Å; L485-V491 HydrophobicContact CD2-CG1 4.48Å; L485-V491 HydrophobicContact CG-CG1 4.07Å; L485-E492 CarbonylContact C-O 3.58Å; L485-E492 WeakPolarHBondContact CA-O 3.11Å; L485-E493 HydrophobicContact CD2-CB 4.2Å; L485-L762 HydrophobicContact CD1-CD2 4.03Å
486	S	93.1	Very high	90.4	Very high	27 Å²	27	62.5 Å²	62.5	19%	0.189	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	143	170	49.4	0	0	0	0	111.7	A472 V491 E492 V494	A472-S486 WeakPolarHBondContact O-CA 3.4Å; S486-V491 WeakPolarHBondContact O-CA 3.33Å; S486-E492 PolarHBondContact N-O 2.86Å; S486-E492 PolarHBondContact O-N 3.23Å; S486-E492 PolarHBondContact OG-O 3.2Å; S486-V494 WeakPolarHBondContact OG-CG2 3.28Å
487	I	89.8	Confident	90.1	Very high	31 Å²	31	63.1 Å²	63.1	16%	0.159	36%	0.358	C	S	.	.			trans	-96	119.2	175.1	-57.7	165.8	0	0	0	107.7	D471 A472 I474 F745	D471-I487 HydrophobicContact CB-CD1 3.46Å; D471-I487 VanDerWaalsContact CB-CD1 3.46Å; D471-I487 WeakPolarHBondContact O-CB 3.37Å; D471-I487 WeakPolarHBondContact O-CD1 3.38Å; A472-I487 PolarHBondContact O-N 2.8Å; I474-I487 HydrophobicContact CD1-CD1 4.43Å; I474-I487 HydrophobicContact CD1-CG1 4.14Å; I474-I487 HydrophobicContact CG1-CD1 3.67Å; I474-I487 HydrophobicContact CG1-CG1 3.66Å; I487-F745 HydrophobicContact CD1-CD2 4.27Å; I487-F745 HydrophobicContact CD1-CE2 3.77Å; I487-F745 HydrophobicContact CG1-CE2 4.22Å; I487-F745 HydrophobicContact CG2-CE2 4.23Å; I487-F745 HydrophobicContact CG2-CZ 4.3Å
488	G	82.5	Confident	89.7	Confident	57 Å²	57	64 Å²	64	59%	0.588	37%	0.368	S	S	*	.	S	Bend	trans	-149	-143.8	173.9	0	0	0	0	0	109.3	T490	G488-T490 VanDerWaalsContact C-N 3.25Å; G488-T490 PolarHBondContact O-N 2.99Å
489	E	73.5	Confident	89.6	Confident	189 Å²	189	63.5 Å²	63.5	88%	0.883	37%	0.366	S	S	*	.	S	Bend	trans	-63.9	-34.4	169.3	-69.1	-176.4	177.7	0	0	112
490	T	75.8	Confident	89.7	Confident	93 Å²	93	61.1 Å²	61.1	57%	0.571	35%	0.35	S	S	*	.	S	Bend	trans	-128.9	157.9	172.1	60.8	0	0	0	0	109.8	G488	G488-T490 VanDerWaalsContact C-N 3.25Å; G488-T490 PolarHBondContact O-N 2.99Å
491	V	81.5	Confident	89.8	Confident	60 Å²	60	56.5 Å²	56.5	36%	0.364	33%	0.333	S	S	.	.			trans	-92.2	115.4	-179.8	-178.8	0	0	0	0	109	I474 L485 S486	I474-V491 HydrophobicContact CD1-CG1 4.44Å; L485-V491 HydrophobicContact CB-CG1 3.49Å; L485-V491 VanDerWaalsContact CB-CG1 3.49Å; L485-V491 HydrophobicContact CD1-CG1 3.69Å; L485-V491 HydrophobicContact CD2-CG1 4.48Å; L485-V491 HydrophobicContact CG-CG1 4.07Å; S486-V491 WeakPolarHBondContact O-CA 3.33Å
492	E	88.3	Confident	89.7	Confident	121 Å²	121	60.2 Å²	60.2	57%	0.565	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.8	-175.1	-64.6	-171.5	163.8	0	0	112.4	L485 S486	L485-E492 CarbonylContact C-O 3.58Å; L485-E492 WeakPolarHBondContact CA-O 3.11Å; S486-E492 PolarHBondContact N-O 2.86Å; S486-E492 PolarHBondContact O-N 3.23Å; S486-E492 PolarHBondContact OG-O 3.2Å
493	E	91.3	Very high	89.7	Confident	136 Å²	136	60.5 Å²	60.5	64%	0.636	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.4	177	-178.3	178	169.6	0	0	112.4	L483 V484 L485	L483-E493 HydrophobicContact CD1-CB 4.42Å; L483-E493 VanDerWaalsContact CD1-CD 3.44Å; L483-E493 HydrophobicContact CD1-CG 3.63Å; V484-E493 WeakPolarHBondContact O-CA 3.39Å; L485-E493 HydrophobicContact CD2-CB 4.2Å
494	V	90.7	Very high	89.7	Confident	26 Å²	26	60.7 Å²	60.7	16%	0.158	36%	0.357	C	S	.	.			trans	-121.9	126.5	-179.1	-179.3	0	0	0	0	111.2	Y473 V484 S486 D496	Y473-V494 HydrophobicContact CE1-CG1 4.46Å; V484-V494 HydrophobicContact CG1-CB 4.46Å; V484-V494 PolarHBondContact O-N 3.47Å; S486-V494 WeakPolarHBondContact OG-CG2 3.28Å; V494-D496 WeakPolarHBondContact CG1-OD1 3.42Å
495	T	87.7	Confident	89.8	Confident	125 Å²	125	60.6 Å²	60.6	77%	0.767	36%	0.356	S	S	*	.	S	Bend	trans	-102	-14.2	-178.1	55.4	0	0	0	0	114.3
496	D	88.1	Confident	89.9	Confident	95 Å²	95	62.5 Å²	62.5	51%	0.508	37%	0.366	S	S	.	.			trans	-104.9	19.6	-175.9	79.1	-42.7	0	0	0	114	V494 G498 K531	V494-D496 WeakPolarHBondContact CG1-OD1 3.42Å; D496-G498 PolarHBondContact O-N 3.04Å; D496-K531 IonicContact OD2-NZ 3.43Å; D496-K531 PolarHBondContact OD2-NZ 2.84Å
497	S	89.5	Confident	90	Very high	12 Å²	12	62.1 Å²	62.1	8%	0.084	36%	0.363	C	S	.	.	S	Bend	trans	-70.8	-13.4	-178.8	62.5	0	0	0	0	114.6	F499	S497-F499 VanDerWaalsContact C-N 3.29Å
498	G	91	Very high	90.3	Very high	22 Å²	22	60.9 Å²	60.9	23%	0.227	36%	0.358	C	S	.	.	S	Bend	trans	88.7	-15.9	-175.1	0	0	0	0	0	114.3	D496 R525	D496-G498 PolarHBondContact O-N 3.04Å; G498-R525 PolarHBondContact O-NH1 3.21Å; G498-R525 VanDerWaalsContact O-NH1 3.08Å
499	F	94.5	Very high	90.9	Very high	16 Å²	16	59.3 Å²	59.3	7%	0.07	34%	0.338	C	S	.	.			trans	-63.6	143.3	171.8	-76.4	-89	0	0	0	111.3	I475 V484 S497 G501 C508 L516 Q518 I527	I475-F499 HydrophobicContact CD1-CD2 3.96Å; I475-F499 HydrophobicContact CD1-CE1 4.31Å; I475-F499 HydrophobicContact CD1-CE2 3.66Å; I475-F499 HydrophobicContact CD1-CG 4.4Å; I475-F499 HydrophobicContact CD1-CZ 3.87Å; I475-F499 HydrophobicContact CG1-CE1 4.33Å; I475-F499 HydrophobicContact CG1-CE2 4.34Å; I475-F499 HydrophobicContact CG1-CZ 4.04Å; I475-F499 HydrophobicContact CG2-CE1 4.48Å; V484-F499 HydrophobicContact CG2-CB 3.79Å; V484-F499 HydrophobicContact CG2-CD2 4.16Å; V484-F499 HydrophobicContact CG2-CG 4.06Å; S497-F499 VanDerWaalsContact C-N 3.29Å; F499-G501 PolarHBondContact O-N 3Å; F499-C508 HydrophobicContact CE1-CB 3.57Å; F499-C508 HydrophobicContact CZ-CB 4.03Å; F499-L516 HydrophobicContact CE2-CD1 3.86Å; F499-L516 HydrophobicContact CZ-CD1 4.41Å; F499-Q518 HydrophobicContact CD1-CB 3.68Å; F499-Q518 HydrophobicContact CD1-CG 3.67Å; F499-Q518 HydrophobicContact CE1-CB 3.75Å; F499-Q518 HydrophobicContact CE1-CG 4.03Å; F499-I527 HydrophobicContact CD1-CD1 4.45Å; F499-I527 HydrophobicContact CD2-CD1 4.27Å; F499-I527 HydrophobicContact CE2-CD1 4.46Å; F499-I527 HydrophobicContact CG-CD1 4.27Å
500	L	95.1	Very high	92	Very high	43 Å²	43	51.5 Å²	51.5	23%	0.225	30%	0.302	C	S	.	.			trans	-81.2	100.3	173.7	-171.6	58	0	0	0	109.7	T502 T503 Q518 Y520	L500-T502 VanDerWaalsContact C-N 3.29Å; L500-T502 WeakPolarHBondContact CD1-OG1 3.02Å; L500-T502 PolarHBondContact O-N 3.22Å; L500-T503 HydrophobicContact CB-CG2 4.07Å; L500-T503 HydrophobicContact CD2-CG2 3.64Å; L500-T503 HydrophobicContact CG-CG2 3.79Å; L500-Q518 PolarHBondContact O-NE2 3.04Å; L500-Q518 VanDerWaalsContact O-NE2 3.16Å; L500-Y520 HydrophobicContact CD2-CD2 4.44Å; L500-Y520 HydrophobicContact CD2-CE2 4.23Å
501	G	93.4	Very high	92.8	Very high	35 Å²	35	47.1 Å²	47.1	36%	0.361	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-15.4	-179.2	0	0	0	0	0	115.3	A481 T482 F499 T503	A481-G501 CarbonylContact C-O 3.6Å; A481-G501 VanDerWaalsContact CA-O 3.28Å; A481-G501 WeakPolarHBondContact CA-O 3.4Å; A481-G501 WeakPolarHBondContact CB-O 3.5Å; T482-G501 PolarHBondContact N-O 2.74Å; T482-G501 VanDerWaalsContact O-CA 3.28Å; T482-G501 WeakPolarHBondContact O-CA 3.43Å; F499-G501 PolarHBondContact O-N 3Å; G501-T503 PolarHBondContact O-N 2.85Å
502	T	94.9	Very high	93.4	Very high	116 Å²	116	44.4 Å²	44.4	71%	0.712	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	6.9	-174.1	56	0	0	0	0	114.7	L500	L500-T502 VanDerWaalsContact C-N 3.29Å; L500-T502 WeakPolarHBondContact CD1-OG1 3.02Å; L500-T502 PolarHBondContact O-N 3.22Å
503	T	96	Very high	93.5	Very high	17 Å²	17	42.6 Å²	42.6	10%	0.104	25%	0.253	C	S	.	.	S	Bend	trans	-140.7	153.7	-178	-164.8	0	0	0	0	109.4	A481 T482 L500 G501 Y520	A481-T503 CarbonylContact C-O 3.57Å; A481-T503 VanDerWaalsContact C-O 3.32Å; T482-T503 PolarHBondContact N-O 3.04Å; T482-T503 PolarHBondContact OG1-O 3.44Å; L500-T503 HydrophobicContact CB-CG2 4.07Å; L500-T503 HydrophobicContact CD2-CG2 3.64Å; L500-T503 HydrophobicContact CG-CG2 3.79Å; G501-T503 PolarHBondContact O-N 2.85Å; T503-Y520 HydrophobicContact CG2-CD2 3.74Å; T503-Y520 HydrophobicContact CG2-CG 3.89Å
504	P	96.7	Very high	93.5	Very high	28 Å²	28	39.9 Å²	39.9	18%	0.182	24%	0.243	C	C	.	.			trans	-62.4	142.4	168.8	26.4	-37	0	0	0	111.7	S477 F478 Y520 P521	S477-P504 WeakPolarHBondContact OG-CA 3.45Å; F478-P504 WeakPolarHBondContact O-CB 3.31Å; P504-Y520 WeakPolarHBondContact O-CB 3.42Å; P504-P521 HydrophobicContact CG-CG 3.83Å; P504-P521 VanDerWaalsContact O-CD 3.32Å; P504-P521 WeakPolarHBondContact O-CD 3.24Å
505	T	97.3	Very high	93.7	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.031	24%	0.237	C	C	.	.			trans	-92.8	129.6	169.6	-63.9	0	0	0	0	109.2	W460 S477 T482 S507 C508 Q518	W460-T505 HydrophobicContact CE3-CG2 4.39Å; W460-T505 HydrophobicContact CH2-CG2 4.37Å; W460-T505 WeakPolarHBondContact CH2-O 3.24Å; W460-T505 HydrophobicContact CZ3-CG2 3.92Å; S477-T505 WeakPolarHBondContact CB-O 3.11Å; S477-T505 PolarHBondContact OG-N 3.14Å; S477-T505 PolarHBondContact OG-O 2.82Å; T482-T505 WeakPolarHBondContact CG2-OG1 3.42Å; T482-T505 PolarHBondContact OG1-N 2.84Å; T482-T505 PolarHBondContact OG1-OG1 3.43Å; T505-S507 WeakPolarHBondContact CG2-O 3.33Å; T505-C508 HydrophobicContact CG2-CB 4.13Å; T505-Q518 HydrophobicContact CG2-CG 3.95Å; T505-Q518 PolarHBondContact OG1-NE2 2.81Å
506	L	96.6	Very high	94.1	Very high	58 Å²	58	33.5 Å²	33.5	30%	0.304	20%	0.204	S	C	.	.	S	Bend	trans	-88.9	-34.6	176.5	-62.2	177.6	0	0	0	112.2	W460 V519 P521 I544	W460-L506 VanDerWaalsContact CZ2-O 3.28Å; W460-L506 WeakPolarHBondContact CZ2-O 3.27Å; L506-V519 HydrophobicContact CB-CG1 4.41Å; L506-V519 HydrophobicContact CD1-CG1 4.5Å; L506-V519 PolarHBondContact N-O 2.96Å; L506-P521 HydrophobicContact CD1-CG 4.45Å; L506-P521 HydrophobicContact CG-CG 4.49Å; L506-I544 HydrophobicContact CD1-CB 3.91Å; L506-I544 HydrophobicContact CD1-CG2 3.75Å; L506-I544 WeakPolarHBondContact CD1-O 3.09Å
507	S	96.5	Very high	94.5	Very high	19 Å²	19	29 Å²	29	13%	0.133	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	152	172.5	-173.7	0	0	0	0	109.4	T505 V519 C547	T505-S507 WeakPolarHBondContact CG2-O 3.33Å; S507-V519 PolarHBondContact N-O 2.72Å; S507-V519 PolarHBondContact O-N 2.69Å; S507-C547 WeakPolarHBondContact CB-SG 3.07Å
508	C	96.3	Very high	94.9	Very high	6 Å²	6	28.4 Å²	28.4	4%	0.041	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	153.2	168.8	58.2	0	0	0	0	111.7	W460 F499 T505 V517	W460-C508 VanDerWaalsContact CB-SG 3.53Å; F499-C508 HydrophobicContact CE1-CB 3.57Å; F499-C508 HydrophobicContact CZ-CB 4.03Å; T505-C508 HydrophobicContact CG2-CB 4.13Å; C508-V517 WeakPolarHBondContact CA-O 3.36Å; C508-V517 WeakPolarHBondContact CB-O 3.37Å
509	S	95.1	Very high	95.2	Very high	24 Å²	24	27.4 Å²	27.4	17%	0.168	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	169.2	175.9	69.7	0	0	0	0	111	L516 V517 V549	S509-L516 WeakPolarHBondContact O-CA 3.28Å; S509-V517 PolarHBondContact N-O 2.62Å; S509-V517 PolarHBondContact O-N 2.81Å; S509-V517 WeakPolarHBondContact OG-CG1 3.46Å; S509-V549 WeakPolarHBondContact OG-CG1 3.5Å
510	L	95.2	Very high	95.3	Very high	25 Å²	25	26.7 Å²	26.7	13%	0.131	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	139.4	154.3	-177.1	75.9	0	0	0	108.6	R464 I466 A515 L516	R464-L510 WeakPolarHBondContact O-CD1 3.41Å; I466-L510 HydrophobicContact CB-CD2 3.97Å; I466-L510 HydrophobicContact CG1-CD2 4.48Å; L510-A515 CarbonylContact C-O 3.59Å; L510-A515 WeakPolarHBondContact CD1-O 3.47Å; L510-L516 HydrophobicContact CD1-CD2 4.16Å
511	L	93.9	Very high	95.4	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	117	178.3	-174.7	74.8	0	0	0	107.9	A515 V517 V554 M568 L574	L511-A515 PolarHBondContact N-O 2.82Å; L511-A515 CarbonylContact O-C 3.48Å; L511-A515 WeakPolarHBondContact O-CB 3.41Å; L511-A515 PolarHBondContact O-N 3.01Å; L511-A515 VanDerWaalsContact O-O 3.07Å; L511-V517 HydrophobicContact CB-CB 4.23Å; L511-V517 HydrophobicContact CB-CG1 4.18Å; L511-V517 HydrophobicContact CD2-CB 4.19Å; L511-V554 HydrophobicContact CD1-CG2 4.25Å; L511-M568 HydrophobicContact CD2-SD 4.49Å; L511-M568 HydrophobicContact CG-SD 4.08Å; L511-L574 HydrophobicContact CD2-CB 4.44Å; L511-L574 HydrophobicContact CD2-CD1 4.12Å; L511-L574 HydrophobicContact CD2-CD2 4.08Å; L511-L574 HydrophobicContact CD2-CG 4.44Å
512	G	92.5	Very high	95.5	Very high	4 Å²	4	28.2 Å²	28.2	4%	0.041	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	-145.6	-172.2	0	0	0	0	0	113.2	Q551	G512-Q551 PolarHBondContact N-O 2.76Å
513	D	90.7	Very high	95.6	Very high	82 Å²	82	22.7 Å²	22.7	44%	0.439	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-36.6	-171.6	-55.8	-16.4	0	0	0	111.2	H465 I466 R552	H465-D513 CarbonylContact C-O 3.56Å; H465-D513 WeakPolarHBondContact CA-O 3.36Å; H465-D513 PolarHBondContact CD2-O 2.85Å; I466-D513 HydrophobicContact CG2-CB 4.23Å; I466-D513 PolarHBondContact N-O 3.24Å; D513-R552 IonicContact OD1-NH2 3.21Å
514	D	92.4	Very high	95.6	Very high	80 Å²	80	22 Å²	22	43%	0.428	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-146.7	7.9	-169.6	72.6	-12.7	0	0	0	115.6	A529	D514-A529 HydrophobicContact CB-CB 4.04Å; D514-A529 WeakPolarHBondContact OD2-CB 3.36Å
515	A	94.5	Very high	95.6	Very high	4 Å²	4	22.8 Å²	22.8	3%	0.033	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	154.2	-178.7	0	0	0	0	0	111.9	L510 L511 H526 I527	L510-A515 CarbonylContact C-O 3.59Å; L510-A515 WeakPolarHBondContact CD1-O 3.47Å; L511-A515 PolarHBondContact N-O 2.82Å; L511-A515 CarbonylContact O-C 3.48Å; L511-A515 WeakPolarHBondContact O-CB 3.41Å; L511-A515 PolarHBondContact O-N 3.01Å; L511-A515 VanDerWaalsContact O-O 3.07Å; A515-H526 WeakPolarHBondContact CB-NE2 3.45Å; A515-I527 CarbonylContact C-O 3.55Å; A515-I527 WeakPolarHBondContact CA-O 3.4Å; A515-I527 WeakPolarHBondContact CB-O 3.36Å
516	L	95.4	Very high	95.6	Very high	13 Å²	13	22.8 Å²	22.8	7%	0.068	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	152.9	175.2	-53.9	175.5	0	0	0	109.9	V462 R463 Y473 F499 S509 L510 I527	V462-L516 HydrophobicContact CB-CD2 4.29Å; V462-L516 HydrophobicContact CG2-CD2 4.4Å; R463-L516 VanDerWaalsContact O-CD2 3.28Å; R463-L516 WeakPolarHBondContact O-CD2 3.03Å; Y473-L516 HydrophobicContact CD2-CD1 4.43Å; Y473-L516 HydrophobicContact CE2-CD1 4.29Å; F499-L516 HydrophobicContact CE2-CD1 3.86Å; F499-L516 HydrophobicContact CZ-CD1 4.41Å; S509-L516 WeakPolarHBondContact O-CA 3.28Å; L510-L516 HydrophobicContact CD1-CD2 4.16Å; L516-I527 HydrophobicContact CB-CB 4.18Å; L516-I527 HydrophobicContact CB-CD1 4.36Å; L516-I527 PolarHBondContact N-O 2.82Å; L516-I527 PolarHBondContact O-N 3.05Å
517	V	96.5	Very high	95.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.9	171.6	67	0	0	0	0	110.9	C508 S509 L511 V519 I524 R525 V549 V554	C508-V517 WeakPolarHBondContact CA-O 3.36Å; C508-V517 WeakPolarHBondContact CB-O 3.37Å; S509-V517 PolarHBondContact N-O 2.62Å; S509-V517 PolarHBondContact O-N 2.81Å; S509-V517 WeakPolarHBondContact OG-CG1 3.46Å; L511-V517 HydrophobicContact CB-CB 4.23Å; L511-V517 HydrophobicContact CB-CG1 4.18Å; L511-V517 HydrophobicContact CD2-CB 4.19Å; V517-V519 HydrophobicContact CG2-CG2 4.44Å; V517-I524 HydrophobicContact CG2-CG2 3.52Å; V517-R525 CarbonylContact C-O 3.58Å; V517-R525 WeakPolarHBondContact CA-O 3.49Å; V517-V549 HydrophobicContact CG1-CG1 3.84Å; V517-V554 HydrophobicContact CG2-CG2 4.27Å
518	Q	97.5	Very high	95.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.1	169.2	-174.8	-168.1	18.9	0	0	108.7	F499 L500 T505 I524 R525	F499-Q518 HydrophobicContact CD1-CB 3.68Å; F499-Q518 HydrophobicContact CD1-CG 3.67Å; F499-Q518 HydrophobicContact CE1-CB 3.75Å; F499-Q518 HydrophobicContact CE1-CG 4.03Å; L500-Q518 PolarHBondContact O-NE2 3.04Å; L500-Q518 VanDerWaalsContact O-NE2 3.16Å; T505-Q518 HydrophobicContact CG2-CG 3.95Å; T505-Q518 PolarHBondContact OG1-NE2 2.81Å; Q518-I524 WeakPolarHBondContact O-CA 3.4Å; Q518-R525 HydrophobicContact CB-CB 4.29Å; Q518-R525 PolarHBondContact N-O 3.01Å; Q518-R525 PolarHBondContact O-N 2.83Å
519	V	97.9	Very high	94.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128.8	169.7	-173.1	0	0	0	0	108	L506 S507 V517 I524 I544 C547 V549 V554 I556	L506-V519 HydrophobicContact CB-CG1 4.41Å; L506-V519 HydrophobicContact CD1-CG1 4.5Å; L506-V519 PolarHBondContact N-O 2.96Å; S507-V519 PolarHBondContact N-O 2.72Å; S507-V519 PolarHBondContact O-N 2.69Å; V517-V519 HydrophobicContact CG2-CG2 4.44Å; V519-I524 HydrophobicContact CG1-CG1 4.46Å; V519-I524 HydrophobicContact CG2-CG1 4.43Å; V519-I524 HydrophobicContact CG2-CG2 4.46Å; V519-I544 HydrophobicContact CG1-CD1 3.8Å; V519-I544 HydrophobicContact CG1-CG2 4.01Å; V519-C547 HydrophobicContact CG1-CB 3.97Å; V519-V549 HydrophobicContact CG2-CG2 4.2Å; V519-V554 HydrophobicContact CG2-CG1 4.23Å; V519-I556 HydrophobicContact CG1-CG2 4.07Å
520	Y	97.1	Very high	94.5	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	166.8	-179.7	68.3	-79.2	0	0	0	109.1	L500 T503 P504 D522 G523 R525 E535 K537 I544	L500-Y520 HydrophobicContact CD2-CD2 4.44Å; L500-Y520 HydrophobicContact CD2-CE2 4.23Å; T503-Y520 HydrophobicContact CG2-CD2 3.74Å; T503-Y520 HydrophobicContact CG2-CG 3.89Å; P504-Y520 WeakPolarHBondContact O-CB 3.42Å; Y520-D522 HydrophobicContact CD2-CB 4.32Å; Y520-D522 HydrophobicContact CE2-CB 3.76Å; Y520-D522 PolarHBondContact O-N 3.42Å; Y520-G523 WeakPolarHBondContact CD1-O 3.22Å; Y520-G523 VanDerWaalsContact CE1-O 3.3Å; Y520-G523 WeakPolarHBondContact CE1-O 3.28Å; Y520-G523 PolarHBondContact N-O 3.2Å; Y520-G523 PolarHBondContact O-N 3.19Å; Y520-G523 VanDerWaalsContact O-N 3.07Å; Y520-R525 HydrophobicContact CD1-CG 4.04Å; Y520-R525 HydrophobicContact CE1-CG 3.48Å; Y520-R525 VanDerWaalsContact CE1-CG 3.48Å; Y520-E535 PolarHBondContact OH-OE1 2.97Å; Y520-K537 WeakPolarHBondContact OH-CD 3.47Å; Y520-K537 PolarHBondContact OH-NZ 3.43Å; Y520-I544 WeakPolarHBondContact O-CD1 3.47Å
521	P	96.2	Very high	94.1	Very high	29 Å²	29	32.9 Å²	32.9	19%	0.188	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-34.7	-168.2	-31	36.7	0	0	0	115.9	P504 L506 T543 I544	P504-P521 HydrophobicContact CG-CG 3.83Å; P504-P521 VanDerWaalsContact O-CD 3.32Å; P504-P521 WeakPolarHBondContact O-CD 3.24Å; L506-P521 HydrophobicContact CD1-CG 4.45Å; L506-P521 HydrophobicContact CG-CG 4.49Å; P521-T543 CarbonylContact O-C 3.54Å; P521-T543 WeakPolarHBondContact O-CA 3.45Å; P521-T543 WeakPolarHBondContact O-CB 3.39Å; P521-I544 PolarHBondContact O-N 3.42Å
522	D	96.3	Very high	93.9	Very high	80 Å²	80	39.6 Å²	39.6	43%	0.428	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-0.2	-176.4	-50.7	-51.7	0	0	0	113.9	Y520 K537 T538	Y520-D522 HydrophobicContact CD2-CB 4.32Å; Y520-D522 HydrophobicContact CE2-CB 3.76Å; Y520-D522 PolarHBondContact O-N 3.42Å; D522-K537 WeakPolarHBondContact O-CA 3.43Å; D522-T538 PolarHBondContact O-N 3.37Å; D522-T538 PolarHBondContact O-OG1 3.46Å; D522-T538 VanDerWaalsContact O-OG1 3.1Å
523	G	96.6	Very high	94	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.5	-169	-177.2	0	0	0	0	0	117.4	Y520 W536 I544	Y520-G523 WeakPolarHBondContact CD1-O 3.22Å; Y520-G523 VanDerWaalsContact CE1-O 3.3Å; Y520-G523 WeakPolarHBondContact CE1-O 3.28Å; Y520-G523 PolarHBondContact N-O 3.2Å; Y520-G523 PolarHBondContact O-N 3.19Å; Y520-G523 VanDerWaalsContact O-N 3.07Å; G523-W536 CarbonylContact C-O 3.55Å; G523-W536 WeakPolarHBondContact CA-O 3.4Å; G523-I544 WeakPolarHBondContact O-CD1 3.37Å
524	I	97.5	Very high	94.1	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.8	176.8	-54.8	168.1	0	0	0	107.5	V517 Q518 V519 E535 W536 I544 V554 I556 F566 L574	V517-I524 HydrophobicContact CG2-CG2 3.52Å; Q518-I524 WeakPolarHBondContact O-CA 3.4Å; V519-I524 HydrophobicContact CG1-CG1 4.46Å; V519-I524 HydrophobicContact CG2-CG1 4.43Å; V519-I524 HydrophobicContact CG2-CG2 4.46Å; I524-E535 WeakPolarHBondContact O-CA 3.42Å; I524-W536 HydrophobicContact CB-CB 4.32Å; I524-W536 HydrophobicContact CD1-CE3 4.11Å; I524-W536 HydrophobicContact CG1-CE3 4.06Å; I524-W536 PolarHBondContact N-O 3.18Å; I524-W536 PolarHBondContact O-N 3.08Å; I524-I544 HydrophobicContact CG1-CD1 4.12Å; I524-V554 HydrophobicContact CD1-CG1 3.97Å; I524-I556 HydrophobicContact CD1-CD1 4.16Å; I524-I556 HydrophobicContact CD1-CG2 3.99Å; I524-I556 HydrophobicContact CG1-CG2 4.38Å; I524-F566 HydrophobicContact CD1-CD2 3.85Å; I524-F566 HydrophobicContact CD1-CE1 4.35Å; I524-F566 HydrophobicContact CD1-CE2 3.54Å; I524-F566 HydrophobicContact CD1-CG 4.4Å; I524-F566 HydrophobicContact CD1-CZ 3.82Å; I524-L574 HydrophobicContact CG2-CD2 4.26Å
525	R	96.6	Very high	94.2	Very high	45 Å²	45	40.8 Å²	40.8	17%	0.17	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.9	169.9	-51.3	-167.6	85.8	-163.9	-0.2	109	G498 V517 Q518 Y520 I527 V533 E535	G498-R525 PolarHBondContact O-NH1 3.21Å; G498-R525 VanDerWaalsContact O-NH1 3.08Å; V517-R525 CarbonylContact C-O 3.58Å; V517-R525 WeakPolarHBondContact CA-O 3.49Å; Q518-R525 HydrophobicContact CB-CB 4.29Å; Q518-R525 PolarHBondContact N-O 3.01Å; Q518-R525 PolarHBondContact O-N 2.83Å; Y520-R525 HydrophobicContact CD1-CG 4.04Å; Y520-R525 HydrophobicContact CE1-CG 3.48Å; Y520-R525 VanDerWaalsContact CE1-CG 3.48Å; R525-I527 HydrophobicContact CB-CG1 4.35Å; R525-V533 HydrophobicContact CB-CG1 3.77Å; R525-V533 HydrophobicContact CG-CG1 4.33Å; R525-E535 HydrophobicContact CG-CG 4.41Å; R525-E535 IonicContact NE-OE1 3.98Å
526	H	95.8	Very high	94.3	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.023	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	106.4	169.5	173.1	-157.3	0	0	0	108.2	A515 V533 N534 G572 L574	A515-H526 WeakPolarHBondContact CB-NE2 3.45Å; H526-V533 WeakPolarHBondContact O-CA 3.18Å; H526-N534 HydrophobicContact CB-CB 4.26Å; H526-N534 PolarHBondContact N-O 3.35Å; H526-N534 PolarHBondContact O-N 2.79Å; H526-G572 PolarHBondContact CE1-O 3.41Å; H526-G572 VanDerWaalsContact CE1-O 3.28Å; H526-L574 HydrophobicContact CB-CD2 4.47Å
527	I	94.8	Very high	94.3	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.036	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	108.6	-172.3	-55	160.3	0	0	0	107.7	F499 A515 L516 R525 V533	F499-I527 HydrophobicContact CD1-CD1 4.45Å; F499-I527 HydrophobicContact CD2-CD1 4.27Å; F499-I527 HydrophobicContact CE2-CD1 4.46Å; F499-I527 HydrophobicContact CG-CD1 4.27Å; A515-I527 CarbonylContact C-O 3.55Å; A515-I527 WeakPolarHBondContact CA-O 3.4Å; A515-I527 WeakPolarHBondContact CB-O 3.36Å; L516-I527 HydrophobicContact CB-CB 4.18Å; L516-I527 HydrophobicContact CB-CD1 4.36Å; L516-I527 PolarHBondContact N-O 2.82Å; L516-I527 PolarHBondContact O-N 3.05Å; R525-I527 HydrophobicContact CB-CG1 4.35Å; I527-V533 HydrophobicContact CG1-CG1 4.27Å; I527-V533 HydrophobicContact CG1-CG2 4.16Å; I527-V533 HydrophobicContact CG2-CG2 4.34Å
528	R	91.6	Very high	94.2	Very high	52 Å²	52	48.2 Å²	48.2	20%	0.196	23%	0.234	C	C	.	.			trans	-79	159.4	-180	-67.5	-171.2	158.1	173.4	-2.7	111.8	D530 K531 R532 G572	R528-D530 WeakPolarHBondContact CB-OD1 3.42Å; R528-D530 PolarHBondContact O-N 3Å; R528-D530 VanDerWaalsContact O-N 3.14Å; R528-K531 WeakPolarHBondContact O-CA 3.11Å; R528-K531 PolarHBondContact O-N 3.04Å; R528-R532 PolarHBondContact N-O 2.78Å; R528-G572 PolarHBondContact NH2-O 2.9Å
529	A	87.4	Confident	93.9	Very high	62 Å²	62	50.5 Å²	50.5	51%	0.512	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.6	175.8	0	0	0	0	0	113.8	D514 K531	D514-A529 HydrophobicContact CB-CB 4.04Å; D514-A529 WeakPolarHBondContact OD2-CB 3.36Å; A529-K531 PolarHBondContact O-N 3.33Å
530	D	88.3	Confident	93.4	Very high	87 Å²	87	54.3 Å²	54.3	47%	0.465	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	15.1	175.6	68.2	7.6	0	0	0	114.5	R528 R532	R528-D530 WeakPolarHBondContact CB-OD1 3.42Å; R528-D530 PolarHBondContact O-N 3Å; R528-D530 VanDerWaalsContact O-N 3.14Å; D530-R532 VanDerWaalsContact CG-NE 3.28Å; D530-R532 PolarHBondContact O-N 2.98Å; D530-R532 WeakPolarHBondContact OD1-CB 3.18Å; D530-R532 WeakPolarHBondContact OD1-CG 3.48Å; D530-R532 PolarHBondContact OD1-N 2.63Å; D530-R532 IonicContact OD1-NE 2.83Å; D530-R532 PolarHBondContact OD1-NE 3.03Å; D530-R532 IonicContact OD2-CZ 3.74Å; D530-R532 IonicContact OD2-NE 3.22Å; D530-R532 PolarHBondContact OD2-NE 2.98Å; D530-R532 IonicContact OD2-NH2 2.74Å; D530-R532 PolarHBondContact OD2-NH2 2.86Å
531	K	85.7	Confident	93	Very high	135 Å²	135	64.2 Å²	64.2	59%	0.587	33%	0.331	S	S	*	.	S	Bend	trans	64.7	6.8	-177.9	-53.9	-171.1	174.6	-166.2	0	114.8	D496 R528 A529	D496-K531 IonicContact OD2-NZ 3.43Å; D496-K531 PolarHBondContact OD2-NZ 2.84Å; R528-K531 WeakPolarHBondContact O-CA 3.11Å; R528-K531 PolarHBondContact O-N 3.04Å; A529-K531 PolarHBondContact O-N 3.33Å
532	R	91.2	Very high	92.9	Very high	142 Å²	142	66.3 Å²	66.3	54%	0.536	34%	0.337	S	S	.	.			trans	-70.1	135.7	169.2	-68.7	-176	-67.1	177.4	-7.4	109.8	R528 D530	R528-R532 PolarHBondContact N-O 2.78Å; D530-R532 VanDerWaalsContact CG-NE 3.28Å; D530-R532 PolarHBondContact O-N 2.98Å; D530-R532 WeakPolarHBondContact OD1-CB 3.18Å; D530-R532 WeakPolarHBondContact OD1-CG 3.48Å; D530-R532 PolarHBondContact OD1-N 2.63Å; D530-R532 IonicContact OD1-NE 2.83Å; D530-R532 PolarHBondContact OD1-NE 3.03Å; D530-R532 IonicContact OD2-CZ 3.74Å; D530-R532 IonicContact OD2-NE 3.22Å; D530-R532 PolarHBondContact OD2-NE 2.98Å; D530-R532 IonicContact OD2-NH2 2.74Å; D530-R532 PolarHBondContact OD2-NH2 2.86Å
533	V	93.2	Very high	92.9	Very high	45 Å²	45	65 Å²	65	27%	0.273	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	114.3	178.5	-174.3	0	0	0	0	109.6	R525 H526 I527	R525-V533 HydrophobicContact CB-CG1 3.77Å; R525-V533 HydrophobicContact CG-CG1 4.33Å; H526-V533 WeakPolarHBondContact O-CA 3.18Å; I527-V533 HydrophobicContact CG1-CG1 4.27Å; I527-V533 HydrophobicContact CG1-CG2 4.16Å; I527-V533 HydrophobicContact CG2-CG2 4.34Å
534	N	93.5	Very high	92.9	Very high	60 Å²	60	65.2 Å²	65.2	32%	0.321	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.3	168.8	-69.1	-38.5	0	0	0	108.2	H526	H526-N534 HydrophobicContact CB-CB 4.26Å; H526-N534 PolarHBondContact N-O 3.35Å; H526-N534 PolarHBondContact O-N 2.79Å
535	E	94.8	Very high	92.8	Very high	85 Å²	85	67.8 Å²	67.8	40%	0.397	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.3	-174.7	-171.9	169.1	-138.7	0	0	110.9	Y520 I524 R525 K537	Y520-E535 PolarHBondContact OH-OE1 2.97Å; I524-E535 WeakPolarHBondContact O-CA 3.42Å; R525-E535 HydrophobicContact CG-CG 4.41Å; R525-E535 IonicContact NE-OE1 3.98Å; E535-K537 HydrophobicContact CG-CD 4.17Å; E535-K537 HydrophobicContact CG-CG 4.47Å; E535-K537 WeakPolarHBondContact OE1-CE 3.42Å; E535-K537 IonicContact OE1-NZ 3.13Å; E535-K537 PolarHBondContact OE1-NZ 2.93Å; E535-K537 WeakPolarHBondContact OE2-CE 3.03Å; E535-K537 IonicContact OE2-NZ 3Å; E535-K537 PolarHBondContact OE2-NZ 2.82Å
536	W	95.8	Very high	92.8	Very high	48 Å²	48	69.6 Å²	69.6	18%	0.182	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131	166.9	-179.8	96.3	0	0	0	108.5	G523 I524 T538 I544 I556 L558 F566 E576	G523-W536 CarbonylContact C-O 3.55Å; G523-W536 WeakPolarHBondContact CA-O 3.4Å; I524-W536 HydrophobicContact CB-CB 4.32Å; I524-W536 HydrophobicContact CD1-CE3 4.11Å; I524-W536 HydrophobicContact CG1-CE3 4.06Å; I524-W536 PolarHBondContact N-O 3.18Å; I524-W536 PolarHBondContact O-N 3.08Å; W536-T538 HydrophobicContact CH2-CG2 4.19Å; W536-T538 HydrophobicContact CZ3-CG2 3.75Å; W536-I544 HydrophobicContact CZ3-CD1 4.13Å; W536-I556 HydrophobicContact CE3-CD1 4.25Å; W536-I556 HydrophobicContact CH2-CD1 3.41Å; W536-I556 VanDerWaalsContact CH2-CD1 3.41Å; W536-I556 HydrophobicContact CZ2-CD1 4.28Å; W536-I556 HydrophobicContact CZ3-CD1 3.39Å; W536-L558 HydrophobicContact CH2-CD2 4.3Å; W536-F566 AromaticContact CD1-CE1 3.7Å; W536-F566 HydrophobicContact CD2-CE1 4.22Å; W536-F566 AromaticContact CD2-CZ 3.81Å; W536-F566 HydrophobicContact CD2-CZ 3.81Å; W536-F566 AromaticContact CE2-CZ 3.55Å; W536-F566 HydrophobicContact CE3-CZ 4.35Å; W536-F566 HydrophobicContact CG-CE1 4.02Å; W536-F566 HydrophobicContact CG-CZ 4.11Å; W536-F566 HydrophobicContact CH2-CZ 4.46Å; W536-F566 AromaticContact CZ2-CZ 3.91Å; W536-F566 HydrophobicContact CZ2-CZ 3.91Å; W536-F566 AromaticContact NE1-CE1 3.7Å; W536-F566 AromaticContact NE1-CZ 3.64Å; W536-E576 PolarHBondContact NE1-OE2 3.47Å
537	K	95.7	Very high	92.9	Very high	105 Å²	105	70.4 Å²	70.4	46%	0.457	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	144.5	178.6	-67.2	-68	-170.5	-173.4	0	110.4	Y520 D522 E535	Y520-K537 WeakPolarHBondContact OH-CD 3.47Å; Y520-K537 PolarHBondContact OH-NZ 3.43Å; D522-K537 WeakPolarHBondContact O-CA 3.43Å; E535-K537 HydrophobicContact CG-CD 4.17Å; E535-K537 HydrophobicContact CG-CG 4.47Å; E535-K537 WeakPolarHBondContact OE1-CE 3.42Å; E535-K537 IonicContact OE1-NZ 3.13Å; E535-K537 PolarHBondContact OE1-NZ 2.93Å; E535-K537 WeakPolarHBondContact OE2-CE 3.03Å; E535-K537 IonicContact OE2-NZ 3Å; E535-K537 PolarHBondContact OE2-NZ 2.82Å
538	T	94.7	Very high	93	Very high	21 Å²	21	70.3 Å²	70.3	13%	0.129	37%	0.365	C	S	.	.			trans	-60.3	142.3	174.9	49	0	0	0	0	112.1	D522 W536 K542 I544 L558	D522-T538 PolarHBondContact O-N 3.37Å; D522-T538 PolarHBondContact O-OG1 3.46Å; D522-T538 VanDerWaalsContact O-OG1 3.1Å; W536-T538 HydrophobicContact CH2-CG2 4.19Å; W536-T538 HydrophobicContact CZ3-CG2 3.75Å; T538-K542 WeakPolarHBondContact CB-O 3.42Å; T538-K542 PolarHBondContact OG1-O 3.2Å; T538-I544 HydrophobicContact CG2-CD1 4.22Å; T538-I544 HydrophobicContact CG2-CG1 3.57Å; T538-L558 HydrophobicContact CG2-CD2 3.8Å
539	P	90.5	Very high	93.3	Very high	48 Å²	48	69 Å²	69	31%	0.312	36%	0.363	S	S	.	.	S	Bend	trans	-76.5	130.7	179.4	28.8	-33.3	0	0	0	112	K541 K542 L558	P539-K541 PolarHBondContact O-N 2.84Å; P539-K542 PolarHBondContact O-N 2.76Å; P539-L558 HydrophobicContact CG-CD1 4.04Å
540	G	87.2	Confident	93.6	Very high	79 Å²	79	66.4 Å²	66.4	81%	0.814	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	-125.4	172.8	0	0	0	0	0	113.3
541	K	88.8	Confident	93.9	Very high	210 Å²	210	65.1 Å²	65.1	91%	0.913	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	14.7	175.8	-65.1	-172.1	178.4	-176.2	0	112.8	P539	P539-K541 PolarHBondContact O-N 2.84Å
542	K	93.9	Very high	94.4	Very high	73 Å²	73	61.1 Å²	61.1	32%	0.317	31%	0.312	S	S	.	.			trans	-76.1	147.9	177.4	-64.6	-166.9	177.2	-165.9	0	109.3	T538 P539 L558 E562	T538-K542 WeakPolarHBondContact CB-O 3.42Å; T538-K542 PolarHBondContact OG1-O 3.2Å; P539-K542 PolarHBondContact O-N 2.76Å; K542-L558 HydrophobicContact CB-CB 4.33Å; K542-L558 HydrophobicContact CD-CB 4.02Å; K542-L558 HydrophobicContact CD-CD1 4.02Å; K542-E562 IonicContact NZ-OE2 3.22Å; K542-E562 PolarHBondContact NZ-OE2 3.44Å
543	T	96.4	Very high	94.6	Very high	52 Å²	52	54.3 Å²	54.3	32%	0.319	29%	0.287	S	S	.	.			trans	-119.4	155	169.9	56.8	0	0	0	0	109.7	P521 V545 L558 T559	P521-T543 CarbonylContact O-C 3.54Å; P521-T543 WeakPolarHBondContact O-CA 3.45Å; P521-T543 WeakPolarHBondContact O-CB 3.39Å; T543-V545 PolarHBondContact O-N 3.3Å; T543-L558 CarbonylContact O-C 3.55Å; T543-L558 WeakPolarHBondContact O-CA 3.46Å; T543-T559 PolarHBondContact N-OG1 2.9Å; T543-T559 PolarHBondContact O-N 2.71Å; T543-T559 PolarHBondContact O-OG1 3.47Å; T543-T559 VanDerWaalsContact O-OG1 3.13Å; T543-T559 PolarHBondContact OG1-OG1 3.39Å
544	I	97.7	Very high	94.8	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	121.2	169.7	-55.2	-178.9	0	0	0	107.6	L506 V519 Y520 P521 G523 I524 W536 T538 I556 L558	L506-I544 HydrophobicContact CD1-CB 3.91Å; L506-I544 HydrophobicContact CD1-CG2 3.75Å; L506-I544 WeakPolarHBondContact CD1-O 3.09Å; V519-I544 HydrophobicContact CG1-CD1 3.8Å; V519-I544 HydrophobicContact CG1-CG2 4.01Å; Y520-I544 WeakPolarHBondContact O-CD1 3.47Å; P521-I544 PolarHBondContact O-N 3.42Å; G523-I544 WeakPolarHBondContact O-CD1 3.37Å; I524-I544 HydrophobicContact CG1-CD1 4.12Å; W536-I544 HydrophobicContact CZ3-CD1 4.13Å; T538-I544 HydrophobicContact CG2-CD1 4.22Å; T538-I544 HydrophobicContact CG2-CG1 3.57Å; I544-I556 HydrophobicContact CD1-CB 4.37Å; I544-I556 HydrophobicContact CD1-CD1 3.85Å; I544-I556 HydrophobicContact CD1-CG2 4.07Å; I544-I556 HydrophobicContact CG1-CD1 4.07Å; I544-I556 HydrophobicContact CG2-CB 3.96Å; I544-I556 HydrophobicContact CG2-CG2 4.09Å; I544-L558 HydrophobicContact CG1-CD2 3.93Å
545	V	95.6	Very high	95.1	Very high	58 Å²	58	49.3 Å²	49.3	35%	0.352	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-33.3	179.8	-65	0	0	0	0	112.5	T543 A557	T543-V545 PolarHBondContact O-N 3.3Å; V545-A557 HydrophobicContact CG2-CB 4.12Å; V545-A557 VanDerWaalsContact CG2-O 3.29Å; V545-A557 WeakPolarHBondContact CG2-O 3.2Å; V545-A557 PolarHBondContact N-O 3.11Å
546	K	96.7	Very high	95.2	Very high	82 Å²	82	45.3 Å²	45.3	36%	0.357	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	156.2	178.5	-64.6	-66.6	166.6	153.9	0	110	A557 V587 V588 M590	K546-A557 HydrophobicContact CB-CB 4.26Å; K546-A557 PolarHBondContact O-N 3.29Å; K546-V587 HydrophobicContact CB-CG1 4.34Å; K546-V588 WeakPolarHBondContact CD-O 3.32Å; K546-V588 WeakPolarHBondContact CE-O 3.46Å; K546-V588 PolarHBondContact NZ-O 2.8Å; K546-M590 VanDerWaalsContact C-CE 3.45Å; K546-M590 HydrophobicContact CB-CE 4.01Å; K546-M590 WeakPolarHBondContact O-CE 3.36Å
547	C	97.5	Very high	95.3	Very high	22 Å²	22	43 Å²	43	15%	0.149	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	160.8	175.9	58.7	0	0	0	0	111.3	S507 V519 V555 I556	S507-C547 WeakPolarHBondContact CB-SG 3.07Å; V519-C547 HydrophobicContact CG1-CB 3.97Å; C547-V555 CarbonylContact C-O 3.28Å; C547-V555 WeakPolarHBondContact CA-O 3.38Å; C547-V555 WeakPolarHBondContact CB-O 3.32Å; C547-I556 HydrophobicContact CB-CG2 3.92Å
548	A	97.3	Very high	95.3	Very high	6 Å²	6	38 Å²	38	5%	0.05	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	134	168.9	0	0	0	0	0	108.2	V555 M590 L592 L605	A548-V555 PolarHBondContact N-O 3.25Å; A548-V555 PolarHBondContact O-N 3.38Å; A548-M590 HydrophobicContact CB-CB 3.84Å; A548-L592 HydrophobicContact CB-CD1 4.14Å; A548-L592 HydrophobicContact CB-CG 3.87Å; A548-L605 HydrophobicContact CB-CD1 4.27Å
549	V	96.8	Very high	95.3	Very high	25 Å²	25	40 Å²	40	15%	0.152	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.1	-174.1	-174.5	0	0	0	0	109.6	S509 V517 V519 Q553 V554	S509-V549 WeakPolarHBondContact OG-CG1 3.5Å; V517-V549 HydrophobicContact CG1-CG1 3.84Å; V519-V549 HydrophobicContact CG2-CG2 4.2Å; V549-Q553 WeakPolarHBondContact CA-O 3.39Å; V549-V554 HydrophobicContact CG1-CG2 3.99Å; V549-V554 HydrophobicContact CG2-CG1 4.19Å; V549-V554 HydrophobicContact CG2-CG2 4.29Å
550	N	95.4	Very high	95.3	Very high	6 Å²	6	40 Å²	40	3%	0.032	23%	0.23	C	C	.	.			trans	-133.2	-162.4	166.8	72.8	16.1	0	0	0	110.2	R552 Q553 L592 A593	N550-R552 PolarHBondContact O-N 2.89Å; N550-R552 VanDerWaalsContact O-N 3.14Å; N550-R552 PolarHBondContact OD1-N 2.88Å; N550-Q553 PolarHBondContact N-O 2.88Å; N550-Q553 PolarHBondContact ND2-OE1 2.79Å; N550-Q553 VanDerWaalsContact OD1-CB 3.25Å; N550-Q553 WeakPolarHBondContact OD1-CB 3.34Å; N550-Q553 PolarHBondContact OD1-N 2.87Å; N550-L592 HydrophobicContact CB-CB 4.28Å; N550-A593 WeakPolarHBondContact CB-O 3.17Å; N550-A593 PolarHBondContact ND2-O 2.86Å
551	Q	94.2	Very high	95.5	Very high	61 Å²	61	36.4 Å²	36.4	29%	0.285	19%	0.193	S	C	.	.	S	Bend	trans	-57.4	-29	-175.4	-63.9	75.5	13.4	0	0	114.2	G512 N594 V595	G512-Q551 PolarHBondContact N-O 2.76Å; Q551-N594 PolarHBondContact NE2-OD1 2.89Å; Q551-V595 HydrophobicContact CB-CG2 4.14Å
552	R	94.8	Very high	95.8	Very high	50 Å²	50	28.1 Å²	28.1	19%	0.189	16%	0.157	C	C	.	.	S	Bend	trans	-137.8	-8	-173.4	-64.2	-169.6	170.3	-140	-10.8	114.4	D513 N550 M568 V595 Q600	D513-R552 IonicContact OD1-NH2 3.21Å; N550-R552 PolarHBondContact O-N 2.89Å; N550-R552 VanDerWaalsContact O-N 3.14Å; N550-R552 PolarHBondContact OD1-N 2.88Å; R552-M568 HydrophobicContact CG-CE 4.31Å; R552-M568 PolarHBondContact O-N 2.87Å; R552-V595 HydrophobicContact CB-CG2 4.48Å; R552-Q600 WeakPolarHBondContact CD-O 3.41Å
553	Q	96.9	Very high	96	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	139.1	-171.7	-62.4	170.4	-73.1	0	0	110.8	V549 N550 Y565 F566 E567 L592 R601 S602 L619	V549-Q553 WeakPolarHBondContact CA-O 3.39Å; N550-Q553 PolarHBondContact N-O 2.88Å; N550-Q553 PolarHBondContact ND2-OE1 2.79Å; N550-Q553 VanDerWaalsContact OD1-CB 3.25Å; N550-Q553 WeakPolarHBondContact OD1-CB 3.34Å; N550-Q553 PolarHBondContact OD1-N 2.87Å; Q553-Y565 HydrophobicContact CB-CE2 3.96Å; Q553-Y565 HydrophobicContact CG-CE2 3.93Å; Q553-Y565 PolarHBondContact NE2-OH 3.41Å; Q553-F566 WeakPolarHBondContact CA-O 3.48Å; Q553-E567 HydrophobicContact CG-CG 4.39Å; Q553-L592 HydrophobicContact CB-CD1 3.95Å; Q553-R601 HydrophobicContact CG-CB 4.33Å; Q553-S602 PolarHBondContact NE2-O 2.91Å; Q553-S602 PolarHBondContact OE1-O 2.92Å; Q553-L619 VanDerWaalsContact NE2-CD1 3.35Å
554	V	97.7	Very high	96	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.1	172.2	177.2	0	0	0	0	107.7	L511 V517 V519 I524 V549 I556 F566 L574	L511-V554 HydrophobicContact CD1-CG2 4.25Å; V517-V554 HydrophobicContact CG2-CG2 4.27Å; V519-V554 HydrophobicContact CG2-CG1 4.23Å; I524-V554 HydrophobicContact CD1-CG1 3.97Å; V549-V554 HydrophobicContact CG1-CG2 3.99Å; V549-V554 HydrophobicContact CG2-CG1 4.19Å; V549-V554 HydrophobicContact CG2-CG2 4.29Å; V554-I556 HydrophobicContact CG1-CG2 4.12Å; V554-F566 HydrophobicContact CB-CB 4.19Å; V554-F566 HydrophobicContact CG1-CD2 4.48Å; V554-F566 PolarHBondContact N-O 3.41Å; V554-F566 PolarHBondContact O-N 2.96Å; V554-L574 HydrophobicContact CG2-CD1 4.39Å; V554-L574 HydrophobicContact CG2-CD2 4.36Å
555	V	98	Very high	96	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.7	171.1	-179	0	0	0	0	108.5	C547 A548 V564 Y565 M590 L592 L605 L619	C547-V555 CarbonylContact C-O 3.28Å; C547-V555 WeakPolarHBondContact CA-O 3.38Å; C547-V555 WeakPolarHBondContact CB-O 3.32Å; A548-V555 PolarHBondContact N-O 3.25Å; A548-V555 PolarHBondContact O-N 3.38Å; V555-V564 WeakPolarHBondContact CA-O 3.1Å; V555-Y565 HydrophobicContact CG2-CD2 3.65Å; V555-Y565 HydrophobicContact CG2-CE2 4.38Å; V555-M590 HydrophobicContact CG1-CE 4.35Å; V555-M590 HydrophobicContact CG1-SD 4.12Å; V555-L592 HydrophobicContact CG2-CD1 4.29Å; V555-L592 HydrophobicContact CG2-CD2 4.46Å; V555-L605 HydrophobicContact CB-CD1 4.18Å; V555-L605 HydrophobicContact CB-CD2 4.44Å; V555-L605 HydrophobicContact CG1-CD1 4.18Å; V555-L605 HydrophobicContact CG1-CD2 3.73Å; V555-L605 HydrophobicContact CG2-CD1 4.13Å; V555-L605 HydrophobicContact CG2-CD2 4.22Å; V555-L619 HydrophobicContact CG2-CD1 4.44Å
556	I	97.9	Very high	96	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.1	175.9	61	168.4	0	0	0	110.2	V519 I524 W536 I544 C547 V554 L558 L563 V564 F566	V519-I556 HydrophobicContact CG1-CG2 4.07Å; I524-I556 HydrophobicContact CD1-CD1 4.16Å; I524-I556 HydrophobicContact CD1-CG2 3.99Å; I524-I556 HydrophobicContact CG1-CG2 4.38Å; W536-I556 HydrophobicContact CE3-CD1 4.25Å; W536-I556 HydrophobicContact CH2-CD1 3.41Å; W536-I556 VanDerWaalsContact CH2-CD1 3.41Å; W536-I556 HydrophobicContact CZ2-CD1 4.28Å; W536-I556 HydrophobicContact CZ3-CD1 3.39Å; I544-I556 HydrophobicContact CD1-CB 4.37Å; I544-I556 HydrophobicContact CD1-CD1 3.85Å; I544-I556 HydrophobicContact CD1-CG2 4.07Å; I544-I556 HydrophobicContact CG1-CD1 4.07Å; I544-I556 HydrophobicContact CG2-CB 3.96Å; I544-I556 HydrophobicContact CG2-CG2 4.09Å; C547-I556 HydrophobicContact CB-CG2 3.92Å; V554-I556 HydrophobicContact CG1-CG2 4.12Å; I556-L558 HydrophobicContact CD1-CD2 4.06Å; I556-L563 WeakPolarHBondContact O-CA 3.24Å; I556-V564 HydrophobicContact CD1-CB 4.08Å; I556-V564 HydrophobicContact CD1-CG2 4.32Å; I556-V564 HydrophobicContact CG1-CB 3.72Å; I556-V564 HydrophobicContact CG1-CG2 4.23Å; I556-V564 PolarHBondContact N-O 2.85Å; I556-V564 PolarHBondContact O-N 2.7Å; I556-F566 HydrophobicContact CD1-CE2 3.83Å; I556-F566 HydrophobicContact CD1-CZ 4.35Å; I556-F566 HydrophobicContact CG1-CE2 3.9Å
557	A	97.5	Very high	96	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125	168.3	0	0	0	0	0	108.2	V545 K546 E562 L563 V587 M590	V545-A557 HydrophobicContact CG2-CB 4.12Å; V545-A557 VanDerWaalsContact CG2-O 3.29Å; V545-A557 WeakPolarHBondContact CG2-O 3.2Å; V545-A557 PolarHBondContact N-O 3.11Å; K546-A557 HydrophobicContact CB-CB 4.26Å; K546-A557 PolarHBondContact O-N 3.29Å; A557-E562 WeakPolarHBondContact CA-O 3.34Å; A557-L563 HydrophobicContact CB-CD2 3.72Å; A557-V587 HydrophobicContact CB-CB 3.82Å; A557-V587 HydrophobicContact CB-CG1 3.83Å; A557-V587 HydrophobicContact CB-CG2 4.09Å; A557-M590 HydrophobicContact CB-CE 3.86Å; A557-M590 HydrophobicContact CB-SD 4.13Å
558	L	96.7	Very high	95.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	162.2	174.9	-60.8	179.3	0	0	0	110.9	W536 T538 P539 K542 T543 I544 I556 G560 G561 E562 V564	W536-L558 HydrophobicContact CH2-CD2 4.3Å; T538-L558 HydrophobicContact CG2-CD2 3.8Å; P539-L558 HydrophobicContact CG-CD1 4.04Å; K542-L558 HydrophobicContact CB-CB 4.33Å; K542-L558 HydrophobicContact CD-CB 4.02Å; K542-L558 HydrophobicContact CD-CD1 4.02Å; T543-L558 CarbonylContact O-C 3.55Å; T543-L558 WeakPolarHBondContact O-CA 3.46Å; I544-L558 HydrophobicContact CG1-CD2 3.93Å; I556-L558 HydrophobicContact CD1-CD2 4.06Å; L558-G560 PolarHBondContact O-N 2.91Å; L558-G561 PolarHBondContact O-N 3.48Å; L558-E562 HydrophobicContact CB-CB 4.47Å; L558-E562 PolarHBondContact N-O 3.04Å; L558-V564 HydrophobicContact CD1-CG2 3.98Å; L558-V564 HydrophobicContact CG-CG2 4.3Å
559	T	93.9	Very high	95.4	Very high	64 Å²	64	18.4 Å²	18.4	39%	0.393	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	127.4	168.3	-36.3	0	0	0	0	110.5	T543	T543-T559 PolarHBondContact N-OG1 2.9Å; T543-T559 PolarHBondContact O-N 2.71Å; T543-T559 PolarHBondContact O-OG1 3.47Å; T543-T559 VanDerWaalsContact O-OG1 3.13Å; T543-T559 PolarHBondContact OG1-OG1 3.39Å
560	G	91	Very high	94.9	Very high	47 Å²	47	22.9 Å²	22.9	49%	0.485	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	7.7	-174.5	0	0	0	0	0	115.2	L558	L558-G560 PolarHBondContact O-N 2.91Å
561	G	91.4	Very high	94.5	Very high	3 Å²	3	27 Å²	27	3%	0.031	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	16	171	0	0	0	0	0	115.4	L558 M583	L558-G561 PolarHBondContact O-N 3.48Å; G561-M583 WeakPolarHBondContact O-CB 3.38Å; G561-M583 WeakPolarHBondContact O-CG 3.31Å; G561-M583 PolarHBondContact O-N 2.77Å
562	E	94.9	Very high	94.2	Very high	36 Å²	36	25.2 Å²	25.2	17%	0.168	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	122.5	174.5	-177	-173.6	-167.5	0	0	110.4	K542 A557 L558 R580 K581	K542-E562 IonicContact NZ-OE2 3.22Å; K542-E562 PolarHBondContact NZ-OE2 3.44Å; A557-E562 WeakPolarHBondContact CA-O 3.34Å; L558-E562 HydrophobicContact CB-CB 4.47Å; L558-E562 PolarHBondContact N-O 3.04Å; E562-R580 HydrophobicContact CG-CB 4.15Å; E562-R580 WeakPolarHBondContact OE1-CD 3.49Å; E562-R580 IonicContact OE1-NE 3.58Å; E562-R580 IonicContact OE1-NH1 3.67Å; E562-R580 PolarHBondContact OE1-NH1 2.82Å; E562-K581 CarbonylContact C-O 3.57Å; E562-K581 WeakPolarHBondContact CA-O 3.33Å
563	L	96.9	Very high	94	Very high	0 Å²	0	26 Å²	26	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	136.1	174.8	-57.5	-179.4	0	0	0	111.2	I556 A557 R580 K581 M583 V587 M590 L605 V607 I617	I556-L563 WeakPolarHBondContact O-CA 3.24Å; A557-L563 HydrophobicContact CB-CD2 3.72Å; L563-R580 WeakPolarHBondContact O-CA 3.11Å; L563-R580 WeakPolarHBondContact O-CB 3.38Å; L563-K581 HydrophobicContact CB-CB 4.24Å; L563-K581 PolarHBondContact N-O 3.1Å; L563-K581 PolarHBondContact O-N 3.28Å; L563-K581 VanDerWaalsContact O-N 3.1Å; L563-M583 HydrophobicContact CD1-CG 3.91Å; L563-M583 HydrophobicContact CD1-SD 3.59Å; L563-M583 VanDerWaalsContact CD1-SD 3.59Å; L563-M583 HydrophobicContact CD2-CG 4.44Å; L563-M583 HydrophobicContact CG-CG 3.89Å; L563-M583 HydrophobicContact CG-SD 4.19Å; L563-V587 HydrophobicContact CD2-CG2 4.01Å; L563-M590 HydrophobicContact CD2-SD 3.63Å; L563-L605 HydrophobicContact CD1-CD2 4.2Å; L563-V607 HydrophobicContact CD1-CG2 4.09Å; L563-I617 HydrophobicContact CD1-CD1 3.77Å
564	V	97.1	Very high	93.9	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.9	172.6	-166.9	0	0	0	0	108.4	V555 I556 L558 F566 E576 R580	V555-V564 WeakPolarHBondContact CA-O 3.1Å; I556-V564 HydrophobicContact CD1-CB 4.08Å; I556-V564 HydrophobicContact CD1-CG2 4.32Å; I556-V564 HydrophobicContact CG1-CB 3.72Å; I556-V564 HydrophobicContact CG1-CG2 4.23Å; I556-V564 PolarHBondContact N-O 2.85Å; I556-V564 PolarHBondContact O-N 2.7Å; L558-V564 HydrophobicContact CD1-CG2 3.98Å; L558-V564 HydrophobicContact CG-CG2 4.3Å; V564-F566 HydrophobicContact CB-CE2 3.9Å; V564-F566 HydrophobicContact CB-CZ 4.41Å; V564-F566 HydrophobicContact CG1-CD2 4.28Å; V564-F566 HydrophobicContact CG1-CE2 3.45Å; V564-F566 VanDerWaalsContact CG1-CE2 3.45Å; V564-F566 HydrophobicContact CG1-CZ 3.6Å; V564-E576 HydrophobicContact CG1-CG 3.73Å; V564-R580 HydrophobicContact CG1-CG 4.43Å; V564-R580 HydrophobicContact CG2-CG 4.23Å
565	Y	97.3	Very high	93.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.9	180	171.9	-128.1	0	0	0	110.2	Q553 V555 E567 Y577 L619	Q553-Y565 HydrophobicContact CB-CE2 3.96Å; Q553-Y565 HydrophobicContact CG-CE2 3.93Å; Q553-Y565 PolarHBondContact NE2-OH 3.41Å; V555-Y565 HydrophobicContact CG2-CD2 3.65Å; V555-Y565 HydrophobicContact CG2-CE2 4.38Å; Y565-E567 HydrophobicContact CE1-CB 4.22Å; Y565-E567 HydrophobicContact CE2-CB 4.44Å; Y565-E567 WeakPolarHBondContact OH-CG 3.44Å; Y565-E567 PolarHBondContact OH-OE2 2.78Å; Y565-Y577 HydrophobicContact CD1-CG 4.15Å; Y565-Y577 WeakPolarHBondContact O-CB 3.41Å; Y565-Y577 PolarHBondContact O-N 3.01Å; Y565-L619 HydrophobicContact CD1-CD2 4.34Å; Y565-L619 HydrophobicContact CD2-CD1 4.45Å; Y565-L619 HydrophobicContact CD2-CD2 4.07Å; Y565-L619 HydrophobicContact CE1-CD2 4.48Å; Y565-L619 HydrophobicContact CE2-CD1 4Å; Y565-L619 HydrophobicContact CE2-CD2 4.17Å; Y565-L619 HydrophobicContact CG-CD2 4.14Å
566	F	97	Very high	93.5	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.026	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141	173.4	-55.2	-103.7	0	0	0	109.4	I524 W536 Q553 V554 I556 V564 L574 N575 E576	I524-F566 HydrophobicContact CD1-CD2 3.85Å; I524-F566 HydrophobicContact CD1-CE1 4.35Å; I524-F566 HydrophobicContact CD1-CE2 3.54Å; I524-F566 HydrophobicContact CD1-CG 4.4Å; I524-F566 HydrophobicContact CD1-CZ 3.82Å; W536-F566 AromaticContact CD1-CE1 3.7Å; W536-F566 HydrophobicContact CD2-CE1 4.22Å; W536-F566 AromaticContact CD2-CZ 3.81Å; W536-F566 HydrophobicContact CD2-CZ 3.81Å; W536-F566 AromaticContact CE2-CZ 3.55Å; W536-F566 HydrophobicContact CE3-CZ 4.35Å; W536-F566 HydrophobicContact CG-CE1 4.02Å; W536-F566 HydrophobicContact CG-CZ 4.11Å; W536-F566 HydrophobicContact CH2-CZ 4.46Å; W536-F566 AromaticContact CZ2-CZ 3.91Å; W536-F566 HydrophobicContact CZ2-CZ 3.91Å; W536-F566 AromaticContact NE1-CE1 3.7Å; W536-F566 AromaticContact NE1-CZ 3.64Å; Q553-F566 WeakPolarHBondContact CA-O 3.48Å; V554-F566 HydrophobicContact CB-CB 4.19Å; V554-F566 HydrophobicContact CG1-CD2 4.48Å; V554-F566 PolarHBondContact N-O 3.41Å; V554-F566 PolarHBondContact O-N 2.96Å; I556-F566 HydrophobicContact CD1-CE2 3.83Å; I556-F566 HydrophobicContact CD1-CZ 4.35Å; I556-F566 HydrophobicContact CG1-CE2 3.9Å; V564-F566 HydrophobicContact CB-CE2 3.9Å; V564-F566 HydrophobicContact CB-CZ 4.41Å; V564-F566 HydrophobicContact CG1-CD2 4.28Å; V564-F566 HydrophobicContact CG1-CE2 3.45Å; V564-F566 VanDerWaalsContact CG1-CE2 3.45Å; V564-F566 HydrophobicContact CG1-CZ 3.6Å; F566-L574 HydrophobicContact CB-CD1 3.64Å; F566-L574 HydrophobicContact CB-CD2 4.44Å; F566-L574 HydrophobicContact CB-CG 3.95Å; F566-L574 HydrophobicContact CD1-CG 4.5Å; F566-N575 CarbonylContact C-O 3.48Å; F566-N575 WeakPolarHBondContact CA-O 3.48Å; F566-E576 HydrophobicContact CD1-CB 3.76Å; F566-E576 HydrophobicContact CD1-CG 4.22Å; F566-E576 HydrophobicContact CE1-CB 3.55Å; F566-E576 HydrophobicContact CE1-CG 3.73Å; F566-E576 HydrophobicContact CZ-CB 4.35Å; F566-E576 HydrophobicContact CZ-CG 4.03Å
567	E	95.1	Very high	93.3	Very high	33 Å²	33	37 Å²	37	15%	0.154	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.8	177	-166.5	175.2	162.3	0	0	109.5	Q553 Y565 N575 R601	Q553-E567 HydrophobicContact CG-CG 4.39Å; Y565-E567 HydrophobicContact CE1-CB 4.22Å; Y565-E567 HydrophobicContact CE2-CB 4.44Å; Y565-E567 WeakPolarHBondContact OH-CG 3.44Å; Y565-E567 PolarHBondContact OH-OE2 2.78Å; E567-N575 PolarHBondContact N-O 3.02Å; E567-N575 PolarHBondContact O-N 3.06Å; E567-R601 IonicContact OE1-CZ 3.22Å; E567-R601 IonicContact OE1-NE 3.35Å; E567-R601 PolarHBondContact OE1-NE 2.83Å; E567-R601 VanDerWaalsContact OE1-NE 3.13Å; E567-R601 IonicContact OE1-NH1 3.68Å; E567-R601 IonicContact OE1-NH2 3.92Å; E567-R601 PolarHBondContact OE1-NH2 2.8Å; E567-R601 IonicContact OE2-CZ 3.59Å; E567-R601 IonicContact OE2-NE 3.85Å; E567-R601 IonicContact OE2-NH1 3.93Å; E567-R601 PolarHBondContact OE2-NH1 2.86Å; E567-R601 IonicContact OE2-NH2 3.26Å; E567-R601 PolarHBondContact OE2-NH2 3.2Å
568	M	93.3	Very high	92.9	Very high	9 Å²	9	43.3 Å²	43.3	4%	0.044	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.6	174.5	-163.2	-171.5	68.3	0	0	109.6	L511 R552 Q573 L574	L511-M568 HydrophobicContact CD2-SD 4.49Å; L511-M568 HydrophobicContact CG-SD 4.08Å; R552-M568 HydrophobicContact CG-CE 4.31Å; R552-M568 PolarHBondContact O-N 2.87Å; M568-Q573 WeakPolarHBondContact CA-O 3.48Å; M568-L574 HydrophobicContact CB-CD1 4.39Å
569	D	90	Very high	92.6	Very high	44 Å²	44	48.5 Å²	48.5	24%	0.235	28%	0.282	C	S	.	.			trans	-77.6	168.2	175.5	69.6	25.7	0	0	0	112.1	S571 G572 Q573 N575	D569-S571 VanDerWaalsContact CG-OG 3.24Å; D569-S571 PolarHBondContact O-N 2.87Å; D569-S571 VanDerWaalsContact OD1-CA 3.27Å; D569-S571 WeakPolarHBondContact OD1-CA 3.36Å; D569-S571 WeakPolarHBondContact OD1-CB 3.39Å; D569-S571 PolarHBondContact OD1-N 2.93Å; D569-S571 PolarHBondContact OD1-OG 3.16Å; D569-S571 PolarHBondContact OD2-OG 2.86Å; D569-G572 PolarHBondContact O-N 3.08Å; D569-G572 PolarHBondContact OD1-N 3.28Å; D569-Q573 PolarHBondContact N-O 3.01Å; D569-Q573 PolarHBondContact OD1-N 3Å; D569-N575 PolarHBondContact OD2-ND2 3.01Å
570	P	85.5	Confident	92.6	Very high	119 Å²	119	49.7 Å²	49.7	77%	0.773	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-10.5	176.3	-25.6	35.9	0	0	0	115.2	G572	P570-G572 VanDerWaalsContact C-N 3.34Å
571	S	87.8	Confident	92.8	Very high	94 Å²	94	50.2 Å²	50.2	66%	0.657	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	1.9	175.7	79	0	0	0	0	113.2	D569	D569-S571 VanDerWaalsContact CG-OG 3.24Å; D569-S571 PolarHBondContact O-N 2.87Å; D569-S571 VanDerWaalsContact OD1-CA 3.27Å; D569-S571 WeakPolarHBondContact OD1-CA 3.36Å; D569-S571 WeakPolarHBondContact OD1-CB 3.39Å; D569-S571 PolarHBondContact OD1-N 2.93Å; D569-S571 PolarHBondContact OD1-OG 3.16Å; D569-S571 PolarHBondContact OD2-OG 2.86Å
572	G	87.9	Confident	92.9	Very high	23 Å²	23	57.6 Å²	57.6	24%	0.237	30%	0.302	C	S	.	.	S	Bend	trans	74.8	27.6	-177.9	0	0	0	0	0	112.6	H526 R528 D569 P570	H526-G572 PolarHBondContact CE1-O 3.41Å; H526-G572 VanDerWaalsContact CE1-O 3.28Å; R528-G572 PolarHBondContact NH2-O 2.9Å; D569-G572 PolarHBondContact O-N 3.08Å; D569-G572 PolarHBondContact OD1-N 3.28Å; P570-G572 VanDerWaalsContact C-N 3.34Å
573	Q	91.1	Very high	92.9	Very high	65 Å²	65	56.7 Å²	56.7	30%	0.304	30%	0.298	S	S	.	.			trans	-104.9	128	172.2	-171.4	70.3	33.7	0	0	109.7	M568 D569 N575	M568-Q573 WeakPolarHBondContact CA-O 3.48Å; D569-Q573 PolarHBondContact N-O 3.01Å; D569-Q573 PolarHBondContact OD1-N 3Å; Q573-N575 PolarHBondContact O-N 3.11Å; Q573-N575 PolarHBondContact O-ND2 3.27Å
574	L	93.5	Very high	92.7	Very high	22 Å²	22	60.5 Å²	60.5	12%	0.115	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	112.2	174.3	-175.5	63.1	0	0	0	109.2	L511 I524 H526 V554 F566 M568	L511-L574 HydrophobicContact CD2-CB 4.44Å; L511-L574 HydrophobicContact CD2-CD1 4.12Å; L511-L574 HydrophobicContact CD2-CD2 4.08Å; L511-L574 HydrophobicContact CD2-CG 4.44Å; I524-L574 HydrophobicContact CG2-CD2 4.26Å; H526-L574 HydrophobicContact CB-CD2 4.47Å; V554-L574 HydrophobicContact CG2-CD1 4.39Å; V554-L574 HydrophobicContact CG2-CD2 4.36Å; F566-L574 HydrophobicContact CB-CD1 3.64Å; F566-L574 HydrophobicContact CB-CD2 4.44Å; F566-L574 HydrophobicContact CB-CG 3.95Å; F566-L574 HydrophobicContact CD1-CG 4.5Å; M568-L574 HydrophobicContact CB-CD1 4.39Å
575	N	93.8	Very high	92.5	Very high	69 Å²	69	61.3 Å²	61.3	37%	0.369	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.1	-174.7	-63.8	-54.9	0	0	0	111.1	F566 E567 D569 Q573	F566-N575 CarbonylContact C-O 3.48Å; F566-N575 WeakPolarHBondContact CA-O 3.48Å; E567-N575 PolarHBondContact N-O 3.02Å; E567-N575 PolarHBondContact O-N 3.06Å; D569-N575 PolarHBondContact OD2-ND2 3.01Å; Q573-N575 PolarHBondContact O-N 3.11Å; Q573-N575 PolarHBondContact O-ND2 3.27Å
576	E	94.5	Very high	92.5	Very high	70 Å²	70	65.8 Å²	65.8	33%	0.327	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	130.2	171.4	-171.1	175.6	159.7	0	0	109.8	W536 V564 F566 R580	W536-E576 PolarHBondContact NE1-OE2 3.47Å; V564-E576 HydrophobicContact CG1-CG 3.73Å; F566-E576 HydrophobicContact CD1-CB 3.76Å; F566-E576 HydrophobicContact CD1-CG 4.22Å; F566-E576 HydrophobicContact CE1-CB 3.55Å; F566-E576 HydrophobicContact CE1-CG 3.73Å; F566-E576 HydrophobicContact CZ-CB 4.35Å; F566-E576 HydrophobicContact CZ-CG 4.03Å; E576-R580 IonicContact OE1-CZ 2.99Å; E576-R580 VanDerWaalsContact OE1-CZ 3.29Å; E576-R580 IonicContact OE1-NE 3.23Å; E576-R580 PolarHBondContact OE1-NE 2.83Å; E576-R580 IonicContact OE1-NH2 3.29Å; E576-R580 PolarHBondContact OE1-NH2 3.47Å; E576-R580 IonicContact OE2-NH2 2.7Å
577	Y	93.4	Very high	92.5	Very high	71 Å²	71	66 Å²	66	28%	0.278	36%	0.357	S	S	.	.			trans	-68.4	137.5	170	-170.5	-110	0	0	0	110	Y565 E579 C624 L625	Y565-Y577 HydrophobicContact CD1-CG 4.15Å; Y565-Y577 WeakPolarHBondContact O-CB 3.41Å; Y565-Y577 PolarHBondContact O-N 3.01Å; Y577-E579 VanDerWaalsContact C-N 3.26Å; Y577-E579 HydrophobicContact CD1-CB 4.03Å; Y577-E579 HydrophobicContact CE1-CB 3.77Å; Y577-E579 HydrophobicContact CE1-CG 4.1Å; Y577-E579 PolarHBondContact O-N 2.81Å; Y577-C624 HydrophobicContact CE1-CB 3.97Å; Y577-C624 HydrophobicContact CE2-CB 4.35Å; Y577-L625 HydrophobicContact CD1-CD1 4.07Å; Y577-L625 HydrophobicContact CE1-CD1 4.47Å
578	T	89.4	Confident	92.6	Very high	132 Å²	132	65.7 Å²	65.7	81%	0.81	36%	0.358	S	S	*	.	S	Bend	trans	-64.6	-28	-169.8	47	0	0	0	0	114.1
579	E	90.9	Very high	92.8	Very high	110 Å²	110	65.6 Å²	65.6	51%	0.514	36%	0.358	S	S	.	.			trans	-98.3	147.6	178.3	-55.1	-171.5	175.3	0	0	111.2	Y577 L625	Y577-E579 VanDerWaalsContact C-N 3.26Å; Y577-E579 HydrophobicContact CD1-CB 4.03Å; Y577-E579 HydrophobicContact CE1-CB 3.77Å; Y577-E579 HydrophobicContact CE1-CG 4.1Å; Y577-E579 PolarHBondContact O-N 2.81Å; E579-L625 WeakPolarHBondContact O-CD1 3.44Å
580	R	93.7	Very high	93.2	Very high	89 Å²	89	64.3 Å²	64.3	34%	0.336	35%	0.351	S	S	.	.			trans	-122.5	150.7	175.2	-62.4	-178.5	179.1	-178.2	0.2	109.3	E562 L563 V564 E576	E562-R580 HydrophobicContact CG-CB 4.15Å; E562-R580 WeakPolarHBondContact OE1-CD 3.49Å; E562-R580 IonicContact OE1-NE 3.58Å; E562-R580 IonicContact OE1-NH1 3.67Å; E562-R580 PolarHBondContact OE1-NH1 2.82Å; L563-R580 WeakPolarHBondContact O-CA 3.11Å; L563-R580 WeakPolarHBondContact O-CB 3.38Å; V564-R580 HydrophobicContact CG1-CG 4.43Å; V564-R580 HydrophobicContact CG2-CG 4.23Å; E576-R580 IonicContact OE1-CZ 2.99Å; E576-R580 VanDerWaalsContact OE1-CZ 3.29Å; E576-R580 IonicContact OE1-NE 3.23Å; E576-R580 PolarHBondContact OE1-NE 2.83Å; E576-R580 IonicContact OE1-NH2 3.29Å; E576-R580 PolarHBondContact OE1-NH2 3.47Å; E576-R580 IonicContact OE2-NH2 2.7Å
581	K	93.9	Very high	93.8	Very high	57 Å²	57	59.1 Å²	59.1	25%	0.248	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	119.7	-174.6	-176.1	67.3	169.8	-163	0	111.4	E562 L563 M583 L625	E562-K581 CarbonylContact C-O 3.57Å; E562-K581 WeakPolarHBondContact CA-O 3.33Å; L563-K581 HydrophobicContact CB-CB 4.24Å; L563-K581 PolarHBondContact N-O 3.1Å; L563-K581 PolarHBondContact O-N 3.28Å; L563-K581 VanDerWaalsContact O-N 3.1Å; K581-M583 HydrophobicContact CG-SD 4.11Å; K581-L625 HydrophobicContact CB-CB 4.16Å; K581-L625 HydrophobicContact CB-CD1 4.22Å
582	E	94.3	Very high	94.2	Very high	159 Å²	159	54.9 Å²	54.9	74%	0.743	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.9	171.2	-166.2	170.6	-171.5	0	0	110.1
583	M	94.9	Very high	94.6	Very high	16 Å²	16	54.1 Å²	54.1	8%	0.079	28%	0.279	C	S	.	.			trans	-82.5	155	176.7	-60.8	-55.2	-69.3	0	0	110.8	G561 L563 K581 A585 V587 V607 L609 I617	G561-M583 WeakPolarHBondContact O-CB 3.38Å; G561-M583 WeakPolarHBondContact O-CG 3.31Å; G561-M583 PolarHBondContact O-N 2.77Å; L563-M583 HydrophobicContact CD1-CG 3.91Å; L563-M583 HydrophobicContact CD1-SD 3.59Å; L563-M583 VanDerWaalsContact CD1-SD 3.59Å; L563-M583 HydrophobicContact CD2-CG 4.44Å; L563-M583 HydrophobicContact CG-CG 3.89Å; L563-M583 HydrophobicContact CG-SD 4.19Å; K581-M583 HydrophobicContact CG-SD 4.11Å; M583-A585 WeakPolarHBondContact CB-O 3.5Å; M583-A585 PolarHBondContact O-N 3.29Å; M583-V587 HydrophobicContact CB-CG2 4.27Å; M583-V587 HydrophobicContact CG-CG2 3.86Å; M583-V607 HydrophobicContact CE-CB 4.37Å; M583-V607 HydrophobicContact CE-CG1 4.11Å; M583-L609 HydrophobicContact CB-CD2 4.1Å; M583-L609 HydrophobicContact CE-CD1 3.95Å; M583-L609 HydrophobicContact CE-CD2 4.02Å; M583-L609 HydrophobicContact CE-CG 4.41Å; M583-L609 HydrophobicContact CG-CD2 4.37Å; M583-I617 HydrophobicContact CE-CD1 4.04Å; M583-I617 HydrophobicContact SD-CD1 3.95Å
584	S	91.7	Very high	94.7	Very high	80 Å²	80	53.4 Å²	53.4	56%	0.559	28%	0.277	S	S	*	.	S	Bend	trans	-73.3	-10	-179.6	59.2	0	0	0	0	114.4	R615	S584-R615 VanDerWaalsContact OG-CZ 3.25Å; S584-R615 PolarHBondContact OG-NH1 3.42Å; S584-R615 PolarHBondContact OG-NH2 3.29Å
585	A	94.4	Very high	94.7	Very high	18 Å²	18	53.4 Å²	53.4	15%	0.149	28%	0.278	C	S	.	.	S	Bend	trans	-155.3	161.4	-171.7	0	0	0	0	0	108.5	M583 V587 L609 V610 D611	M583-A585 WeakPolarHBondContact CB-O 3.5Å; M583-A585 PolarHBondContact O-N 3.29Å; A585-V587 PolarHBondContact O-N 2.92Å; A585-L609 HydrophobicContact CB-CB 4.03Å; A585-L609 HydrophobicContact CB-CD1 4.24Å; A585-V610 HydrophobicContact CB-CG1 3.99Å; A585-D611 HydrophobicContact CB-CB 4.08Å
586	D	96.2	Very high	94.4	Very high	96 Å²	96	52.5 Å²	52.5	51%	0.513	28%	0.276	S	S	.	.			trans	-63.5	136.9	177.9	-72.8	-34.2	0	0	0	111.3	L609 V610	D586-L609 WeakPolarHBondContact O-CA 3.29Å; D586-V610 HydrophobicContact CB-CB 4.39Å; D586-V610 HydrophobicContact CB-CG1 4.29Å; D586-V610 PolarHBondContact O-N 3.35Å
587	V	97.7	Very high	93.9	Very high	10 Å²	10	54.7 Å²	54.7	6%	0.061	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	125.3	179.9	177.8	0	0	0	0	109.9	K546 A557 L563 M583 A585 M590 V607 L609	K546-V587 HydrophobicContact CB-CG1 4.34Å; A557-V587 HydrophobicContact CB-CB 3.82Å; A557-V587 HydrophobicContact CB-CG1 3.83Å; A557-V587 HydrophobicContact CB-CG2 4.09Å; L563-V587 HydrophobicContact CD2-CG2 4.01Å; M583-V587 HydrophobicContact CB-CG2 4.27Å; M583-V587 HydrophobicContact CG-CG2 3.86Å; A585-V587 PolarHBondContact O-N 2.92Å; V587-M590 HydrophobicContact CG1-CG 3.59Å; V587-M590 HydrophobicContact CG1-SD 3.88Å; V587-V607 HydrophobicContact CB-CG1 4.42Å; V587-V607 HydrophobicContact CG1-CG1 3.79Å; V587-V607 HydrophobicContact CG2-CG1 3.91Å; V587-L609 HydrophobicContact CB-CD2 4.47Å; V587-L609 HydrophobicContact CG2-CD2 3.86Å
588	V	97.1	Very high	93.6	Very high	26 Å²	26	55.3 Å²	55.3	16%	0.158	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-28.1	-176.7	-64.9	0	0	0	0	113.7	K546 G608 V610 P637	K546-V588 WeakPolarHBondContact CD-O 3.32Å; K546-V588 WeakPolarHBondContact CE-O 3.46Å; K546-V588 PolarHBondContact NZ-O 2.8Å; V588-G608 VanDerWaalsContact CG2-O 3.29Å; V588-G608 WeakPolarHBondContact CG2-O 3.32Å; V588-G608 PolarHBondContact N-O 3.13Å; V588-V610 HydrophobicContact CG1-CB 4.26Å; V588-P637 HydrophobicContact CG2-CG 3.82Å; V588-P637 VanDerWaalsContact CG2-O 3.31Å; V588-P637 WeakPolarHBondContact CG2-O 3.41Å
589	C	97.7	Very high	93.5	Very high	8 Å²	8	54.9 Å²	54.9	5%	0.054	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	153.4	176	52.4	0	0	0	0	110.6	G608 L640	C589-G608 PolarHBondContact O-N 3.38Å; C589-L640 HydrophobicContact CB-CG 4.39Å
590	M	98.1	Very high	93.5	Very high	16 Å²	16	54 Å²	54	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	155.2	178.6	-64.4	-170.6	-62.6	0	0	110.6	K546 A548 V555 A557 L563 V587 L605 A606 V607	K546-M590 VanDerWaalsContact C-CE 3.45Å; K546-M590 HydrophobicContact CB-CE 4.01Å; K546-M590 WeakPolarHBondContact O-CE 3.36Å; A548-M590 HydrophobicContact CB-CB 3.84Å; V555-M590 HydrophobicContact CG1-CE 4.35Å; V555-M590 HydrophobicContact CG1-SD 4.12Å; A557-M590 HydrophobicContact CB-CE 3.86Å; A557-M590 HydrophobicContact CB-SD 4.13Å; L563-M590 HydrophobicContact CD2-SD 3.63Å; V587-M590 HydrophobicContact CG1-CG 3.59Å; V587-M590 HydrophobicContact CG1-SD 3.88Å; M590-L605 HydrophobicContact CB-CD1 4.35Å; M590-A606 CarbonylContact C-O 3.56Å; M590-A606 VanDerWaalsContact CA-O 3.24Å; M590-A606 WeakPolarHBondContact CA-O 3.3Å; M590-V607 HydrophobicContact CG-CG1 4.18Å; M590-V607 HydrophobicContact CG-CG2 4.32Å; M590-V607 HydrophobicContact SD-CG2 4.45Å
591	S	97.8	Very high	93.4	Very high	10 Å²	10	52.4 Å²	52.4	7%	0.07	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	142.3	175.8	-164.2	0	0	0	0	112.5	A606 L640 C641 I642	S591-A606 PolarHBondContact N-O 2.83Å; S591-A606 PolarHBondContact O-N 2.7Å; S591-L640 WeakPolarHBondContact CB-O 3.23Å; S591-L640 PolarHBondContact OG-O 3.31Å; S591-C641 WeakPolarHBondContact OG-CA 3.27Å; S591-I642 WeakPolarHBondContact O-CD1 3.38Å; S591-I642 PolarHBondContact OG-N 3.11Å
592	L	97.3	Very high	93.4	Very high	5 Å²	5	50 Å²	50	3%	0.026	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.4	170.1	-70.5	172	0	0	0	108.5	A548 N550 Q553 V555 L605 L619 R703	A548-L592 HydrophobicContact CB-CD1 4.14Å; A548-L592 HydrophobicContact CB-CG 3.87Å; N550-L592 HydrophobicContact CB-CB 4.28Å; Q553-L592 HydrophobicContact CB-CD1 3.95Å; V555-L592 HydrophobicContact CG2-CD1 4.29Å; V555-L592 HydrophobicContact CG2-CD2 4.46Å; L592-L605 HydrophobicContact CD2-CB 4.09Å; L592-L605 HydrophobicContact CD2-CD1 3.87Å; L592-L605 HydrophobicContact CG-CD1 4.2Å; L592-L619 HydrophobicContact CD2-CD1 3.47Å; L592-L619 VanDerWaalsContact CD2-CD1 3.47Å; L592-R703 PolarHBondContact O-NH2 3.33Å
593	A	94.8	Very high	93.5	Very high	7 Å²	7	46.4 Å²	46.4	6%	0.058	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-72.1	167.3	167.7	0	0	0	0	0	110.8	N550 S602 I642 L663	N550-A593 WeakPolarHBondContact CB-O 3.17Å; N550-A593 PolarHBondContact ND2-O 2.86Å; A593-S602 VanDerWaalsContact CB-OG 3.3Å; A593-S602 WeakPolarHBondContact CB-OG 3.34Å; A593-I642 HydrophobicContact CB-CB 4.08Å; A593-I642 HydrophobicContact CB-CG2 3.54Å; A593-L663 HydrophobicContact CB-CD1 4.09Å
594	N	93.3	Very high	93.5	Very high	50 Å²	50	45.9 Å²	45.9	27%	0.267	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-61.5	151	162.9	-81.1	-17.8	0	0	0	110.2	Q551 P596 R703 E710	Q551-N594 PolarHBondContact NE2-OD1 2.89Å; N594-P596 WeakPolarHBondContact O-CD 3.45Å; N594-R703 VanDerWaalsContact CG-NH1 3.33Å; N594-R703 PolarHBondContact OD1-NH1 3.11Å; N594-E710 PolarHBondContact ND2-OE1 3Å
595	V	93	Very high	93.8	Very high	23 Å²	23	42 Å²	42	14%	0.139	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-70.9	122.3	172.6	179.8	0	0	0	0	108.2	Q551 R552 E599	Q551-V595 HydrophobicContact CB-CG2 4.14Å; R552-V595 HydrophobicContact CB-CG2 4.48Å; V595-E599 HydrophobicContact CG1-CB 4.34Å; V595-E599 VanDerWaalsContact CG1-O 3.23Å; V595-E599 WeakPolarHBondContact CG1-O 3.35Å
596	P	89.1	Confident	94	Very high	50 Å²	50	41.2 Å²	41.2	33%	0.325	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-60.8	149.8	178.6	-23	33.4	0	0	0	112.2	N594 G598 E599	N594-P596 WeakPolarHBondContact O-CD 3.45Å; P596-G598 PolarHBondContact O-N 2.85Å; P596-E599 HydrophobicContact CB-CB 4.17Å; P596-E599 HydrophobicContact CB-CG 3.92Å; P596-E599 HydrophobicContact CG-CB 4.41Å; P596-E599 HydrophobicContact CG-CG 4.27Å; P596-E599 WeakPolarHBondContact O-CB 3.34Å; P596-E599 PolarHBondContact O-N 3.44Å
597	P	83.9	Confident	94.1	Very high	116 Å²	116	36.6 Å²	36.6	75%	0.753	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	132.2	174.1	-24.5	34.1	0	0	0	111.8	E599	P597-E599 PolarHBondContact O-N 3.08Å
598	G	85.6	Confident	94.1	Very high	84 Å²	84	36.1 Å²	36.1	87%	0.866	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.6	-11.7	-178.2	0	0	0	0	0	115.4	P596	P596-G598 PolarHBondContact O-N 2.85Å
599	E	89.1	Confident	94.2	Very high	123 Å²	123	34.9 Å²	34.9	58%	0.575	20%	0.201	S	C	*	.			trans	-93	156.8	177.4	-66.1	-68.6	172.7	0	0	111.9	V595 P596 P597	V595-E599 HydrophobicContact CG1-CB 4.34Å; V595-E599 VanDerWaalsContact CG1-O 3.23Å; V595-E599 WeakPolarHBondContact CG1-O 3.35Å; P596-E599 HydrophobicContact CB-CB 4.17Å; P596-E599 HydrophobicContact CB-CG 3.92Å; P596-E599 HydrophobicContact CG-CB 4.41Å; P596-E599 HydrophobicContact CG-CG 4.27Å; P596-E599 WeakPolarHBondContact O-CB 3.34Å; P596-E599 PolarHBondContact O-N 3.44Å; P597-E599 PolarHBondContact O-N 3.08Å
600	Q	89.1	Confident	94.1	Very high	90 Å²	90	37.8 Å²	37.8	42%	0.421	22%	0.219	S	C	.	.	S	Bend	trans	-86.6	-20.6	176.4	-68.5	-61.4	-42.5	0	0	113.2	R552	R552-Q600 WeakPolarHBondContact CD-O 3.41Å
601	R	92.9	Very high	94	Very high	57 Å²	57	40.2 Å²	40.2	22%	0.215	23%	0.232	C	C	.	.	S	Bend	trans	-156.2	159.3	-169.6	69.9	-174	71.2	-169.7	-0.8	112.2	Q553 E567 L619 P621	Q553-R601 HydrophobicContact CG-CB 4.33Å; E567-R601 IonicContact OE1-CZ 3.22Å; E567-R601 IonicContact OE1-NE 3.35Å; E567-R601 PolarHBondContact OE1-NE 2.83Å; E567-R601 VanDerWaalsContact OE1-NE 3.13Å; E567-R601 IonicContact OE1-NH1 3.68Å; E567-R601 IonicContact OE1-NH2 3.92Å; E567-R601 PolarHBondContact OE1-NH2 2.8Å; E567-R601 IonicContact OE2-CZ 3.59Å; E567-R601 IonicContact OE2-NE 3.85Å; E567-R601 IonicContact OE2-NH1 3.93Å; E567-R601 PolarHBondContact OE2-NH1 2.86Å; E567-R601 IonicContact OE2-NH2 3.26Å; E567-R601 PolarHBondContact OE2-NH2 3.2Å; R601-L619 WeakPolarHBondContact CD-O 3.42Å; R601-L619 PolarHBondContact NH1-O 2.74Å; R601-L619 VanDerWaalsContact NH1-O 3.09Å; R601-P621 VanDerWaalsContact NH1-CD 3.33Å; R601-P621 VanDerWaalsContact NH1-CG 3.32Å
602	S	94.4	Very high	94	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.042	24%	0.244	C	C	.	.			trans	-83.8	134.7	159.9	-173.5	0	0	0	0	109.2	Q553 A593	Q553-S602 PolarHBondContact NE2-O 2.91Å; Q553-S602 PolarHBondContact OE1-O 2.92Å; A593-S602 VanDerWaalsContact CB-OG 3.3Å; A593-S602 WeakPolarHBondContact CB-OG 3.34Å
603	R	94.6	Very high	94	Very high	84 Å²	84	43.1 Å²	43.1	32%	0.317	25%	0.247	S	C	.	.	S	Bend	trans	-73.5	-27	-172.8	-173.6	170.7	177.7	-168.7	-8.6	114	L619 D620 V682	R603-L619 PolarHBondContact O-N 2.65Å; R603-D620 HydrophobicContact CG-CB 4.34Å; R603-V682 PolarHBondContact NH1-O 3.15Å; R603-V682 PolarHBondContact NH2-O 2.82Å; R603-V682 VanDerWaalsContact NH2-O 3.12Å
604	F	96.8	Very high	94.2	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.3	-167.4	-55.7	-56.3	0	0	0	112.7	I616 L628 L663 L679 D680 P681 G684	F604-I616 HydrophobicContact CB-CG2 3.98Å; F604-I616 HydrophobicContact CD1-CG2 3.82Å; F604-I616 HydrophobicContact CG-CG2 4.06Å; F604-L628 HydrophobicContact CD1-CD1 3.67Å; F604-L628 HydrophobicContact CE1-CD1 3.43Å; F604-L628 VanDerWaalsContact CE1-CD1 3.43Å; F604-L663 HydrophobicContact CD2-CD2 4.2Å; F604-L679 HydrophobicContact CB-CD2 4.29Å; F604-L679 HydrophobicContact CD2-CD2 4.04Å; F604-L679 HydrophobicContact CD2-CG 4.26Å; F604-L679 HydrophobicContact CG-CD2 4.46Å; F604-D680 VanDerWaalsContact CE2-O 3.32Å; F604-D680 WeakPolarHBondContact CE2-O 3.48Å; F604-P681 WeakPolarHBondContact CE2-O 3.49Å; F604-G684 VanDerWaalsContact CZ-N 3.34Å
605	L	98.1	Very high	94.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.2	164.9	171.7	71.2	0	0	0	108.9	A548 V555 L563 M590 L592 V607 I616 I617 L619	A548-L605 HydrophobicContact CB-CD1 4.27Å; V555-L605 HydrophobicContact CB-CD1 4.18Å; V555-L605 HydrophobicContact CB-CD2 4.44Å; V555-L605 HydrophobicContact CG1-CD1 4.18Å; V555-L605 HydrophobicContact CG1-CD2 3.73Å; V555-L605 HydrophobicContact CG2-CD1 4.13Å; V555-L605 HydrophobicContact CG2-CD2 4.22Å; L563-L605 HydrophobicContact CD1-CD2 4.2Å; M590-L605 HydrophobicContact CB-CD1 4.35Å; L592-L605 HydrophobicContact CD2-CB 4.09Å; L592-L605 HydrophobicContact CD2-CD1 3.87Å; L592-L605 HydrophobicContact CG-CD1 4.2Å; L605-V607 HydrophobicContact CD1-CG2 4.41Å; L605-V607 HydrophobicContact CD2-CG2 3.68Å; L605-V607 HydrophobicContact CG-CG2 3.69Å; L605-I616 WeakPolarHBondContact O-CA 3.49Å; L605-I617 HydrophobicContact CB-CB 4.3Å; L605-I617 HydrophobicContact CD2-CB 4.45Å; L605-I617 HydrophobicContact CD2-CD1 4.37Å; L605-I617 PolarHBondContact N-O 3.32Å; L605-I617 PolarHBondContact O-N 2.9Å; L605-L619 HydrophobicContact CB-CD1 4.04Å; L605-L619 HydrophobicContact CB-CD2 4.34Å; L605-L619 HydrophobicContact CB-CG 4.14Å
606	A	98.2	Very high	94.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.8	168.8	0	0	0	0	0	110.2	M590 S591 R615 I616 L640 I642 L665	M590-A606 CarbonylContact C-O 3.56Å; M590-A606 VanDerWaalsContact CA-O 3.24Å; M590-A606 WeakPolarHBondContact CA-O 3.3Å; S591-A606 PolarHBondContact N-O 2.83Å; S591-A606 PolarHBondContact O-N 2.7Å; A606-R615 CarbonylContact C-O 3.58Å; A606-R615 WeakPolarHBondContact CA-O 3.26Å; A606-I616 HydrophobicContact CB-CD1 3.82Å; A606-L640 HydrophobicContact CB-CD1 4.08Å; A606-I642 HydrophobicContact CB-CD1 3.91Å; A606-I642 HydrophobicContact CB-CG1 4.28Å; A606-L665 HydrophobicContact CB-CD1 3.68Å; A606-L665 HydrophobicContact CB-CD2 4.33Å
607	V	98.4	Very high	95	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.8	-178.9	-173	0	0	0	0	110	L563 M583 V587 M590 L605 L609 V614 R615 I617	L563-V607 HydrophobicContact CD1-CG2 4.09Å; M583-V607 HydrophobicContact CE-CB 4.37Å; M583-V607 HydrophobicContact CE-CG1 4.11Å; V587-V607 HydrophobicContact CB-CG1 4.42Å; V587-V607 HydrophobicContact CG1-CG1 3.79Å; V587-V607 HydrophobicContact CG2-CG1 3.91Å; M590-V607 HydrophobicContact CG-CG1 4.18Å; M590-V607 HydrophobicContact CG-CG2 4.32Å; M590-V607 HydrophobicContact SD-CG2 4.45Å; L605-V607 HydrophobicContact CD1-CG2 4.41Å; L605-V607 HydrophobicContact CD2-CG2 3.68Å; L605-V607 HydrophobicContact CG-CG2 3.69Å; V607-L609 HydrophobicContact CG1-CD2 3.82Å; V607-V614 CarbonylContact O-C 3.59Å; V607-V614 WeakPolarHBondContact O-CA 3.45Å; V607-R615 PolarHBondContact N-O 3.47Å; V607-R615 PolarHBondContact O-N 2.82Å; V607-I617 HydrophobicContact CG2-CD1 3.73Å; V607-I617 HydrophobicContact CG2-CG1 4.44Å
608	G	97.9	Very high	95.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	135.2	172.9	0	0	0	0	0	110.5	V588 C589	V588-G608 VanDerWaalsContact CG2-O 3.29Å; V588-G608 WeakPolarHBondContact CG2-O 3.32Å; V588-G608 PolarHBondContact N-O 3.13Å; C589-G608 PolarHBondContact O-N 3.38Å
609	L	97.6	Very high	96.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	157.5	-173.8	-61.1	-178.1	0	0	0	111.8	M583 A585 D586 V587 V607 D611 N612 T613 R615	M583-L609 HydrophobicContact CB-CD2 4.1Å; M583-L609 HydrophobicContact CE-CD1 3.95Å; M583-L609 HydrophobicContact CE-CD2 4.02Å; M583-L609 HydrophobicContact CE-CG 4.41Å; M583-L609 HydrophobicContact CG-CD2 4.37Å; A585-L609 HydrophobicContact CB-CB 4.03Å; A585-L609 HydrophobicContact CB-CD1 4.24Å; D586-L609 WeakPolarHBondContact O-CA 3.29Å; V587-L609 HydrophobicContact CB-CD2 4.47Å; V587-L609 HydrophobicContact CG2-CD2 3.86Å; V607-L609 HydrophobicContact CG1-CD2 3.82Å; L609-D611 WeakPolarHBondContact CB-OD1 3.3Å; L609-D611 PolarHBondContact O-N 3.22Å; L609-D611 VanDerWaalsContact O-N 3.14Å; L609-N612 PolarHBondContact O-N 3.49Å; L609-T613 PolarHBondContact N-O 2.85Å; L609-R615 HydrophobicContact CD1-CG 4.38Å
610	V	96.5	Very high	96.3	Very high	69 Å²	69	26.8 Å²	26.8	42%	0.418	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16	177.4	83.9	0	0	0	0	113.3	A585 D586 V588 N612 Q636	A585-V610 HydrophobicContact CB-CG1 3.99Å; D586-V610 HydrophobicContact CB-CB 4.39Å; D586-V610 HydrophobicContact CB-CG1 4.29Å; D586-V610 PolarHBondContact O-N 3.35Å; V588-V610 HydrophobicContact CG1-CB 4.26Å; V610-N612 PolarHBondContact O-N 2.82Å; V610-Q636 VanDerWaalsContact CG2-NE2 3.28Å
611	D	96.2	Very high	96.4	Very high	66 Å²	66	26.2 Å²	26.2	35%	0.353	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	16.2	179.2	68.6	0.3	0	0	0	113.9	A585 L609 T613 R615	A585-D611 HydrophobicContact CB-CB 4.08Å; L609-D611 WeakPolarHBondContact CB-OD1 3.3Å; L609-D611 PolarHBondContact O-N 3.22Å; L609-D611 VanDerWaalsContact O-N 3.14Å; D611-T613 VanDerWaalsContact C-N 3.31Å; D611-T613 PolarHBondContact O-N 3.01Å; D611-T613 WeakPolarHBondContact OD1-CB 3.02Å; D611-T613 WeakPolarHBondContact OD1-CG2 3.14Å; D611-T613 PolarHBondContact OD1-N 2.92Å; D611-T613 VanDerWaalsContact OD1-N 3.14Å; D611-T613 PolarHBondContact OD1-OG1 2.84Å; D611-R615 IonicContact OD2-NH2 3.8Å
612	N	97.3	Very high	96.3	Very high	61 Å²	61	28.5 Å²	28.5	33%	0.326	16%	0.157	S	C	.	.	S	Bend	trans	59.6	35.8	-175.4	-56.7	-20.3	0	0	0	113.4	L609 V610 L633 Q636	L609-N612 PolarHBondContact O-N 3.49Å; V610-N612 PolarHBondContact O-N 2.82Å; N612-L633 HydrophobicContact CB-CB 4.49Å; N612-L633 VanDerWaalsContact O-CB 3.31Å; N612-L633 WeakPolarHBondContact O-CB 3.43Å; N612-L633 PolarHBondContact O-N 2.95Å; N612-Q636 WeakPolarHBondContact OD1-CA 3.45Å; N612-Q636 WeakPolarHBondContact OD1-CB 3.34Å; N612-Q636 PolarHBondContact OD1-N 2.91Å; N612-Q636 VanDerWaalsContact OD1-N 3.11Å
613	T	97.6	Very high	96.2	Very high	15 Å²	15	30.3 Å²	30.3	9%	0.092	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	151.4	172	70.3	0	0	0	0	112.2	L609 D611 M630 Q631	L609-T613 PolarHBondContact N-O 2.85Å; D611-T613 VanDerWaalsContact C-N 3.31Å; D611-T613 PolarHBondContact O-N 3.01Å; D611-T613 WeakPolarHBondContact OD1-CB 3.02Å; D611-T613 WeakPolarHBondContact OD1-CG2 3.14Å; D611-T613 PolarHBondContact OD1-N 2.92Å; D611-T613 VanDerWaalsContact OD1-N 3.14Å; D611-T613 PolarHBondContact OD1-OG1 2.84Å; T613-M630 HydrophobicContact CG2-CG 4.44Å; T613-M630 HydrophobicContact CG2-SD 3.87Å; T613-Q631 WeakPolarHBondContact CA-O 3.34Å
614	V	97.8	Very high	96.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.8	163.8	171.8	0	0	0	0	108.6	V607 M630 Q631 L633 P637 L640 L665 I667	V607-V614 CarbonylContact O-C 3.59Å; V607-V614 WeakPolarHBondContact O-CA 3.45Å; V614-M630 CarbonylContact O-C 3.38Å; V614-M630 VanDerWaalsContact O-CA 3.32Å; V614-M630 WeakPolarHBondContact O-CA 3.08Å; V614-Q631 PolarHBondContact N-O 3.47Å; V614-Q631 PolarHBondContact O-N 3.12Å; V614-L633 HydrophobicContact CG2-CD1 3.57Å; V614-L633 HydrophobicContact CG2-CD2 4.42Å; V614-L633 HydrophobicContact CG2-CG 4.31Å; V614-P637 HydrophobicContact CG2-CB 4.35Å; V614-P637 HydrophobicContact CG2-CG 4.34Å; V614-L640 HydrophobicContact CG1-CD1 4.29Å; V614-L640 HydrophobicContact CG1-CD2 4.26Å; V614-L640 HydrophobicContact CG2-CD1 4.39Å; V614-L640 HydrophobicContact CG2-CD2 3.81Å; V614-L665 HydrophobicContact CG1-CD2 3.87Å; V614-I667 HydrophobicContact CG2-CD1 4.36Å; V614-I667 HydrophobicContact CG2-CG2 4.22Å
615	R	97.5	Very high	96.2	Very high	61 Å²	61	26.6 Å²	26.6	23%	0.23	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.8	-179.3	-58.3	-171.2	-174.7	-169.8	2.4	110.5	S584 A606 V607 L609 D611 S629 M630	S584-R615 VanDerWaalsContact OG-CZ 3.25Å; S584-R615 PolarHBondContact OG-NH1 3.42Å; S584-R615 PolarHBondContact OG-NH2 3.29Å; A606-R615 CarbonylContact C-O 3.58Å; A606-R615 WeakPolarHBondContact CA-O 3.26Å; V607-R615 PolarHBondContact N-O 3.47Å; V607-R615 PolarHBondContact O-N 2.82Å; L609-R615 HydrophobicContact CD1-CG 4.38Å; D611-R615 IonicContact OD2-NH2 3.8Å; R615-S629 WeakPolarHBondContact CA-O 3.46Å; R615-M630 HydrophobicContact CG-CB 4.34Å; R615-M630 HydrophobicContact CG-CG 4.01Å
616	I	98	Very high	96	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.9	169.8	-55	-54.7	0	0	0	108.2	F604 L605 A606 P627 L628 S629 L665 L679 L686	F604-I616 HydrophobicContact CB-CG2 3.98Å; F604-I616 HydrophobicContact CD1-CG2 3.82Å; F604-I616 HydrophobicContact CG-CG2 4.06Å; L605-I616 WeakPolarHBondContact O-CA 3.49Å; A606-I616 HydrophobicContact CB-CD1 3.82Å; I616-P627 WeakPolarHBondContact O-CA 3.4Å; I616-L628 HydrophobicContact CG2-CB 4.47Å; I616-L628 HydrophobicContact CG2-CD1 4.35Å; I616-L628 PolarHBondContact O-N 2.62Å; I616-S629 WeakPolarHBondContact CB-OG 3.4Å; I616-S629 VanDerWaalsContact CG1-OG 3.22Å; I616-S629 WeakPolarHBondContact CG1-OG 3.45Å; I616-S629 PolarHBondContact N-O 2.77Å; I616-L665 HydrophobicContact CD1-CD2 4.04Å; I616-L679 HydrophobicContact CD1-CD1 4.16Å; I616-L679 HydrophobicContact CG1-CD1 4.07Å; I616-L679 HydrophobicContact CG2-CD1 4.3Å; I616-L686 HydrophobicContact CD1-CD1 4.36Å; I616-L686 HydrophobicContact CD1-CD2 4.27Å; I616-L686 HydrophobicContact CG1-CD1 3.99Å; I616-L686 HydrophobicContact CG1-CD2 4.22Å; I616-L686 HydrophobicContact CG1-CG 4.04Å
617	I	97.5	Very high	95.8	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.1	-178.4	-60.5	-179.9	0	0	0	108.2	L563 M583 L605 V607 L625 Q626	L563-I617 HydrophobicContact CD1-CD1 3.77Å; M583-I617 HydrophobicContact CE-CD1 4.04Å; M583-I617 HydrophobicContact SD-CD1 3.95Å; L605-I617 HydrophobicContact CB-CB 4.3Å; L605-I617 HydrophobicContact CD2-CB 4.45Å; L605-I617 HydrophobicContact CD2-CD1 4.37Å; L605-I617 PolarHBondContact N-O 3.32Å; L605-I617 PolarHBondContact O-N 2.9Å; V607-I617 HydrophobicContact CG2-CD1 3.73Å; V607-I617 HydrophobicContact CG2-CG1 4.44Å; I617-L625 VanDerWaalsContact CG2-CA 3.47Å; I617-L625 HydrophobicContact CG2-CD2 4.37Å; I617-Q626 WeakPolarHBondContact CA-O 3.15Å
618	S	97.1	Very high	95.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	139	174.8	-168.4	0	0	0	0	111.4	D620 D623 C624 L625 Q626	S618-D620 WeakPolarHBondContact OG-CB 3.37Å; S618-D620 PolarHBondContact OG-N 3.05Å; S618-D623 WeakPolarHBondContact CB-O 3.39Å; S618-D623 WeakPolarHBondContact CB-OD1 3.36Å; S618-D623 PolarHBondContact OG-OD1 3.49Å; S618-C624 CarbonylContact O-C 3.44Å; S618-L625 PolarHBondContact O-N 3.06Å; S618-Q626 PolarHBondContact N-O 3.09Å
619	L	96	Very high	95.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.214	C	C	.	.			trans	-114.1	10.8	167	-59.9	-178.6	0	0	0	111.5	Q553 V555 Y565 L592 R601 R603 L605 L625	Q553-L619 VanDerWaalsContact NE2-CD1 3.35Å; V555-L619 HydrophobicContact CG2-CD1 4.44Å; Y565-L619 HydrophobicContact CD1-CD2 4.34Å; Y565-L619 HydrophobicContact CD2-CD1 4.45Å; Y565-L619 HydrophobicContact CD2-CD2 4.07Å; Y565-L619 HydrophobicContact CE1-CD2 4.48Å; Y565-L619 HydrophobicContact CE2-CD1 4Å; Y565-L619 HydrophobicContact CE2-CD2 4.17Å; Y565-L619 HydrophobicContact CG-CD2 4.14Å; L592-L619 HydrophobicContact CD2-CD1 3.47Å; L592-L619 VanDerWaalsContact CD2-CD1 3.47Å; R601-L619 WeakPolarHBondContact CD-O 3.42Å; R601-L619 PolarHBondContact NH1-O 2.74Å; R601-L619 VanDerWaalsContact NH1-O 3.09Å; R603-L619 PolarHBondContact O-N 2.65Å; L605-L619 HydrophobicContact CB-CD1 4.04Å; L605-L619 HydrophobicContact CB-CD2 4.34Å; L605-L619 HydrophobicContact CB-CG 4.14Å; L619-L625 HydrophobicContact CD2-CD2 4.13Å
620	D	93.2	Very high	95.5	Very high	48 Å²	48	43 Å²	43	26%	0.257	24%	0.241	S	C	.	.	S	Bend	trans	-66.6	140.7	171.4	-172.9	-90.4	0	0	0	110	R603 S618 S622 D623 C624	R603-D620 HydrophobicContact CG-CB 4.34Å; S618-D620 WeakPolarHBondContact OG-CB 3.37Å; S618-D620 PolarHBondContact OG-N 3.05Å; D620-S622 PolarHBondContact O-N 3.12Å; D620-S622 VanDerWaalsContact O-N 3.12Å; D620-S622 VanDerWaalsContact OD1-CB 3.28Å; D620-S622 WeakPolarHBondContact OD1-CB 3.43Å; D620-S622 PolarHBondContact OD1-N 2.97Å; D620-S622 PolarHBondContact OD1-OG 2.93Å; D620-D623 WeakPolarHBondContact CB-OD1 3.36Å; D620-D623 CarbonylContact O-C 3.45Å; D620-D623 PolarHBondContact O-N 3.06Å; D620-C624 WeakPolarHBondContact O-CA 3.35Å; D620-C624 VanDerWaalsContact O-CB 3.26Å; D620-C624 WeakPolarHBondContact O-CB 3.39Å; D620-C624 PolarHBondContact O-N 2.95Å
621	P	90.8	Very high	95.5	Very high	79 Å²	79	41.4 Å²	41.4	51%	0.513	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29	179.7	-24.2	31.4	0	0	0	114.9	R601	R601-P621 VanDerWaalsContact NH1-CD 3.33Å; R601-P621 VanDerWaalsContact NH1-CG 3.32Å
622	S	91.7	Very high	95.6	Very high	104 Å²	104	41.8 Å²	41.8	73%	0.727	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-28.1	-174.2	66.1	0	0	0	0	113.6	D620	D620-S622 PolarHBondContact O-N 3.12Å; D620-S622 VanDerWaalsContact O-N 3.12Å; D620-S622 VanDerWaalsContact OD1-CB 3.28Å; D620-S622 WeakPolarHBondContact OD1-CB 3.43Å; D620-S622 PolarHBondContact OD1-N 2.97Å; D620-S622 PolarHBondContact OD1-OG 2.93Å
623	D	92.4	Very high	95.6	Very high	45 Å²	45	39.6 Å²	39.6	24%	0.241	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.1	34.2	-177.7	67	-11.2	0	0	0	112.6	S618 D620 L625 Q626	S618-D623 WeakPolarHBondContact CB-O 3.39Å; S618-D623 WeakPolarHBondContact CB-OD1 3.36Å; S618-D623 PolarHBondContact OG-OD1 3.49Å; D620-D623 WeakPolarHBondContact CB-OD1 3.36Å; D620-D623 CarbonylContact O-C 3.45Å; D620-D623 PolarHBondContact O-N 3.06Å; D623-L625 PolarHBondContact O-N 2.86Å; D623-Q626 HydrophobicContact CB-CB 4.3Å; D623-Q626 HydrophobicContact CB-CG 4.1Å; D623-Q626 WeakPolarHBondContact O-CB 3.46Å; D623-Q626 VanDerWaalsContact O-CG 3.23Å; D623-Q626 WeakPolarHBondContact O-CG 3.43Å; D623-Q626 PolarHBondContact O-N 3.06Å
624	C	94.8	Very high	95.5	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.034	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	136.9	-176.9	-167	0	0	0	0	111.8	Y577 S618 D620 Q626	Y577-C624 HydrophobicContact CE1-CB 3.97Å; Y577-C624 HydrophobicContact CE2-CB 4.35Å; S618-C624 CarbonylContact O-C 3.44Å; D620-C624 WeakPolarHBondContact O-CA 3.35Å; D620-C624 VanDerWaalsContact O-CB 3.26Å; D620-C624 WeakPolarHBondContact O-CB 3.39Å; D620-C624 PolarHBondContact O-N 2.95Å; C624-Q626 PolarHBondContact O-N 3.35Å
625	L	94.8	Very high	95.5	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	12.3	-176.9	-56.9	178.4	0	0	0	115.6	Y577 E579 K581 I617 S618 L619 D623	Y577-L625 HydrophobicContact CD1-CD1 4.07Å; Y577-L625 HydrophobicContact CE1-CD1 4.47Å; E579-L625 WeakPolarHBondContact O-CD1 3.44Å; K581-L625 HydrophobicContact CB-CB 4.16Å; K581-L625 HydrophobicContact CB-CD1 4.22Å; I617-L625 VanDerWaalsContact CG2-CA 3.47Å; I617-L625 HydrophobicContact CG2-CD2 4.37Å; S618-L625 PolarHBondContact O-N 3.06Å; L619-L625 HydrophobicContact CD2-CD2 4.13Å; D623-L625 PolarHBondContact O-N 2.86Å
626	Q	95.1	Very high	95.5	Very high	93 Å²	93	43.3 Å²	43.3	44%	0.435	26%	0.259	S	S	.	.			trans	-81	134	170.3	-62.9	-59.5	-28.2	0	0	111.4	I617 S618 D623 C624	I617-Q626 WeakPolarHBondContact CA-O 3.15Å; S618-Q626 PolarHBondContact N-O 3.09Å; D623-Q626 HydrophobicContact CB-CB 4.3Å; D623-Q626 HydrophobicContact CB-CG 4.1Å; D623-Q626 WeakPolarHBondContact O-CB 3.46Å; D623-Q626 VanDerWaalsContact O-CG 3.23Å; D623-Q626 WeakPolarHBondContact O-CG 3.43Å; D623-Q626 PolarHBondContact O-N 3.06Å; C624-Q626 PolarHBondContact O-N 3.35Å
627	P	94.1	Very high	95.5	Very high	66 Å²	66	43.3 Å²	43.3	43%	0.429	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	130	173.1	30.3	-32.6	0	0	0	110.1	I616	I616-P627 WeakPolarHBondContact O-CA 3.4Å
628	L	96.1	Very high	95.5	Very high	54 Å²	54	45.9 Å²	45.9	28%	0.283	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-54.4	-179.2	-61.8	177.8	0	0	0	111.3	F604 I616	F604-L628 HydrophobicContact CD1-CD1 3.67Å; F604-L628 HydrophobicContact CE1-CD1 3.43Å; F604-L628 VanDerWaalsContact CE1-CD1 3.43Å; I616-L628 HydrophobicContact CG2-CB 4.47Å; I616-L628 HydrophobicContact CG2-CD1 4.35Å; I616-L628 PolarHBondContact O-N 2.62Å
629	S	96.3	Very high	95.6	Very high	18 Å²	18	46.6 Å²	46.6	13%	0.126	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	163.7	-176.3	74.8	0	0	0	0	111.6	R615 I616 G684	R615-S629 WeakPolarHBondContact CA-O 3.46Å; I616-S629 WeakPolarHBondContact CB-OG 3.4Å; I616-S629 VanDerWaalsContact CG1-OG 3.22Å; I616-S629 WeakPolarHBondContact CG1-OG 3.45Å; I616-S629 PolarHBondContact N-O 2.77Å; S629-G684 WeakPolarHBondContact CB-O 3.46Å; S629-G684 PolarHBondContact OG-O 3.44Å
630	M	95.5	Very high	95.7	Very high	113 Å²	113	47.1 Å²	47.1	56%	0.557	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145	137.4	179.5	-178.9	-84.1	-68.8	0	0	110.6	T613 V614 R615	T613-M630 HydrophobicContact CG2-CG 4.44Å; T613-M630 HydrophobicContact CG2-SD 3.87Å; V614-M630 CarbonylContact O-C 3.38Å; V614-M630 VanDerWaalsContact O-CA 3.32Å; V614-M630 WeakPolarHBondContact O-CA 3.08Å; R615-M630 HydrophobicContact CG-CB 4.34Å; R615-M630 HydrophobicContact CG-CG 4.01Å
631	Q	96.5	Very high	95.9	Very high	35 Å²	35	45.1 Å²	45.1	16%	0.164	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.3	172.8	-177.9	170.3	13.8	0	0	110.1	T613 V614 L633 T677 L686 T689	T613-Q631 WeakPolarHBondContact CA-O 3.34Å; V614-Q631 PolarHBondContact N-O 3.47Å; V614-Q631 PolarHBondContact O-N 3.12Å; Q631-L633 HydrophobicContact CG-CD2 4.4Å; Q631-T677 PolarHBondContact OE1-OG1 3.02Å; Q631-L686 HydrophobicContact CB-CD1 3.7Å; Q631-T689 PolarHBondContact NE2-OG1 2.87Å
632	A	96.9	Very high	96.2	Very high	74 Å²	74	41.4 Å²	41.4	61%	0.612	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	139.5	170.2	0	0	0	0	0	110.3
633	L	97.3	Very high	96.4	Very high	15 Å²	15	36.5 Å²	36.5	8%	0.079	21%	0.21	C	C	.	.			trans	-112.1	149.7	-174.8	-55.5	177.6	0	0	0	111.2	N612 V614 Q631 A635 P637 I667 L669 L675	N612-L633 HydrophobicContact CB-CB 4.49Å; N612-L633 VanDerWaalsContact O-CB 3.31Å; N612-L633 WeakPolarHBondContact O-CB 3.43Å; N612-L633 PolarHBondContact O-N 2.95Å; V614-L633 HydrophobicContact CG2-CD1 3.57Å; V614-L633 HydrophobicContact CG2-CD2 4.42Å; V614-L633 HydrophobicContact CG2-CG 4.31Å; Q631-L633 HydrophobicContact CG-CD2 4.4Å; L633-A635 VanDerWaalsContact CB-O 3.24Å; L633-A635 WeakPolarHBondContact CB-O 3.45Å; L633-A635 PolarHBondContact O-N 2.82Å; L633-P637 HydrophobicContact CD1-CB 3.64Å; L633-P637 HydrophobicContact CD1-CG 3.66Å; L633-I667 HydrophobicContact CD1-CG2 4.01Å; L633-I667 HydrophobicContact CD2-CD1 4Å; L633-I667 HydrophobicContact CD2-CG2 4.17Å; L633-L669 HydrophobicContact CB-CD2 4.34Å; L633-L669 HydrophobicContact CD1-CD2 3.84Å; L633-L669 HydrophobicContact CG-CD2 4.49Å; L633-L675 HydrophobicContact CD2-CD1 3.7Å
634	P	95.9	Very high	96.4	Very high	96 Å²	96	37.2 Å²	37.2	62%	0.623	21%	0.212	S	C	*	.	S	Bend	trans	-72.5	-19.3	177.4	29.7	-34.6	0	0	0	113.1	L669	P634-L669 HydrophobicContact CG-CD1 3.6Å
635	A	97.1	Very high	96	Very high	16 Å²	16	37 Å²	37	13%	0.132	21%	0.211	C	C	.	.	S	Bend	trans	-149	169	176.8	0	0	0	0	0	109.6	L633 L669 N671	L633-A635 VanDerWaalsContact CB-O 3.24Å; L633-A635 WeakPolarHBondContact CB-O 3.45Å; L633-A635 PolarHBondContact O-N 2.82Å; A635-L669 HydrophobicContact CB-CB 4.35Å; A635-L669 HydrophobicContact CB-CD1 4.32Å; A635-N671 HydrophobicContact CB-CB 4.22Å
636	Q	98.2	Very high	95.1	Very high	42 Å²	42	38.5 Å²	38.5	20%	0.196	23%	0.227	C	C	.	.			trans	-62.7	135.1	179.8	-169.8	176.7	14.6	0	0	111.1	V610 N612 L669 Q670	V610-Q636 VanDerWaalsContact CG2-NE2 3.28Å; N612-Q636 WeakPolarHBondContact OD1-CA 3.45Å; N612-Q636 WeakPolarHBondContact OD1-CB 3.34Å; N612-Q636 PolarHBondContact OD1-N 2.91Å; N612-Q636 VanDerWaalsContact OD1-N 3.11Å; Q636-L669 WeakPolarHBondContact O-CA 3.37Å; Q636-Q670 HydrophobicContact CB-CG 4.29Å; Q636-Q670 VanDerWaalsContact CD-NE2 3.31Å; Q636-Q670 PolarHBondContact O-N 2.86Å; Q636-Q670 VanDerWaalsContact OE1-CD 3.3Å
637	P	98.1	Very high	93.7	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	134.7	175.1	29.2	-31.3	0	0	0	110.8	V588 V614 L633 I667 L669	V588-P637 HydrophobicContact CG2-CG 3.82Å; V588-P637 VanDerWaalsContact CG2-O 3.31Å; V588-P637 WeakPolarHBondContact CG2-O 3.41Å; V614-P637 HydrophobicContact CG2-CB 4.35Å; V614-P637 HydrophobicContact CG2-CG 4.34Å; L633-P637 HydrophobicContact CD1-CB 3.64Å; L633-P637 HydrophobicContact CD1-CG 3.66Å; P637-I667 HydrophobicContact CB-CG2 4.21Å; P637-L669 HydrophobicContact CB-CD2 4.33Å
638	E	98	Very high	91.7	Very high	55 Å²	55	36 Å²	36	26%	0.257	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-42.5	174.8	178.8	62.8	-160.9	0	0	111.1	G668 Q670 P698 K700	E638-G668 PolarHBondContact N-O 3.22Å; E638-Q670 HydrophobicContact CB-CG 4.3Å; E638-P698 HydrophobicContact CB-CB 4.18Å; E638-P698 HydrophobicContact CG-CB 3.7Å; E638-K700 HydrophobicContact CG-CG 4.49Å
639	S	98.3	Very high	89.4	Confident	15 Å²	15	40 Å²	40	11%	0.105	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	156.9	-177.9	66.7	0	0	0	0	112.5	G668 V699 K700 L701	S639-G668 PolarHBondContact N-O 2.91Å; S639-G668 PolarHBondContact O-N 2.87Å; S639-V699 PolarHBondContact OG-O 2.94Å; S639-K700 VanDerWaalsContact OG-CA 3.29Å; S639-K700 WeakPolarHBondContact OG-CA 3.2Å; S639-L701 WeakPolarHBondContact OG-CG 3.41Å; S639-L701 PolarHBondContact OG-N 3.38Å
640	L	98.4	Very high	86.7	Confident	11 Å²	11	44.6 Å²	44.6	6%	0.058	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	140.9	178.9	-64.3	173	0	0	0	109.8	C589 S591 A606 V614 L665 N666 I667	C589-L640 HydrophobicContact CB-CG 4.39Å; S591-L640 WeakPolarHBondContact CB-O 3.23Å; S591-L640 PolarHBondContact OG-O 3.31Å; A606-L640 HydrophobicContact CB-CD1 4.08Å; V614-L640 HydrophobicContact CG1-CD1 4.29Å; V614-L640 HydrophobicContact CG1-CD2 4.26Å; V614-L640 HydrophobicContact CG2-CD1 4.39Å; V614-L640 HydrophobicContact CG2-CD2 3.81Å; L640-L665 HydrophobicContact CB-CD1 4.42Å; L640-L665 HydrophobicContact CD2-CD1 4.25Å; L640-N666 CarbonylContact C-O 3.58Å; L640-N666 WeakPolarHBondContact CA-O 3.33Å; L640-I667 HydrophobicContact CD2-CB 4Å; L640-I667 HydrophobicContact CD2-CG1 3.77Å; L640-I667 HydrophobicContact CD2-CG2 3.75Å
641	C	97.9	Very high	83.9	Confident	6 Å²	6	47.1 Å²	47.1	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	108.8	174.8	-168.5	0	0	0	0	110.7	S591 N666 L701 V712	S591-C641 WeakPolarHBondContact OG-CA 3.27Å; C641-N666 HydrophobicContact CB-CB 4.35Å; C641-N666 PolarHBondContact N-O 3.41Å; C641-N666 WeakPolarHBondContact O-CB 3.36Å; C641-N666 PolarHBondContact O-N 3.36Å; C641-N666 PolarHBondContact O-ND2 2.91Å; C641-L701 HydrophobicContact CB-CB 3.71Å; C641-L701 HydrophobicContact CB-CD1 4.18Å; C641-V712 HydrophobicContact CB-CG1 4.47Å
642	I	97.7	Very high	81	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	133.1	170.1	-55.9	171.3	0	0	0	108.6	S591 A593 A606 L663 Y664 L665 L679 R703	S591-I642 WeakPolarHBondContact O-CD1 3.38Å; S591-I642 PolarHBondContact OG-N 3.11Å; A593-I642 HydrophobicContact CB-CB 4.08Å; A593-I642 HydrophobicContact CB-CG2 3.54Å; A606-I642 HydrophobicContact CB-CD1 3.91Å; A606-I642 HydrophobicContact CB-CG1 4.28Å; I642-L663 HydrophobicContact CG2-CD1 3.66Å; I642-L663 HydrophobicContact CG2-CD2 4.2Å; I642-L663 HydrophobicContact CG2-CG 3.79Å; I642-Y664 CarbonylContact C-O 3.54Å; I642-Y664 VanDerWaalsContact CA-O 3.26Å; I642-Y664 WeakPolarHBondContact CA-O 3.39Å; I642-L665 HydrophobicContact CG1-CD1 3.71Å; I642-L679 HydrophobicContact CD1-CD2 4.24Å; I642-L679 HydrophobicContact CG2-CD2 4.12Å; I642-R703 PolarHBondContact O-NE 2.81Å; I642-R703 PolarHBondContact O-NH2 2.8Å
643	V	94.8	Very high	78.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	152.6	-179.1	-71.4	0	0	0	0	110.9	M645 Y664 N666 R703 E710 V712	V643-M645 HydrophobicContact CB-CE 4.44Å; V643-M645 HydrophobicContact CG2-CE 3.34Å; V643-M645 HydrophobicContact CG2-CG 4.4Å; V643-Y664 PolarHBondContact N-O 2.94Å; V643-Y664 PolarHBondContact O-N 3.43Å; V643-N666 VanDerWaalsContact CG2-ND2 3.33Å; V643-N666 WeakPolarHBondContact CG2-ND2 3.35Å; V643-R703 HydrophobicContact CG1-CB 4.41Å; V643-R703 HydrophobicContact CG1-CG 3.95Å; V643-E710 WeakPolarHBondContact CA-OE2 3.16Å; V643-E710 HydrophobicContact CB-CB 4.42Å; V643-E710 WeakPolarHBondContact CB-OE2 3.38Å; V643-V712 HydrophobicContact CB-CG2 4.19Å; V643-V712 HydrophobicContact CG1-CG2 3.57Å; V643-V712 HydrophobicContact CG2-CG2 3.64Å
644	E	91.7	Very high	75.3	Confident	60 Å²	60	63.8 Å²	63.8	28%	0.28	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.4	173.8	-171.3	174	176	0	0	110	G661 F662 L663 E710	E644-G661 PolarHBondContact OE1-N 3.03Å; E644-F662 WeakPolarHBondContact CA-O 3.38Å; E644-L663 HydrophobicContact CB-CD1 4.41Å; E644-E710 PolarHBondContact N-OE2 2.82Å; E644-E710 WeakPolarHBondContact O-CB 3.3Å
645	M	87.2	Confident	72.4	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.3	-176.9	-79.6	-168.2	-94.5	0	0	112.2	V643 F662 Y664 E710 V712 F729	V643-M645 HydrophobicContact CB-CE 4.44Å; V643-M645 HydrophobicContact CG2-CE 3.34Å; V643-M645 HydrophobicContact CG2-CG 4.4Å; M645-F662 PolarHBondContact N-O 3.33Å; M645-F662 PolarHBondContact O-N 3.24Å; M645-Y664 HydrophobicContact CB-CD2 4.02Å; M645-Y664 HydrophobicContact CB-CE2 4.03Å; M645-E710 VanDerWaalsContact CG-O 3.25Å; M645-E710 WeakPolarHBondContact CG-O 3.16Å; M645-V712 HydrophobicContact CE-CG2 4.12Å; M645-F729 HydrophobicContact CE-CE2 3.69Å; M645-F729 HydrophobicContact CE-CZ 4.47Å; M645-F729 HydrophobicContact SD-CD2 4.28Å; M645-F729 HydrophobicContact SD-CE2 3.76Å
646	G	75	Confident	69.4	Low	35 Å²	35	68.1 Å²	68.1	36%	0.361	36%	0.36	S	S	.	.			trans	85.9	16.7	167.5	0	0	0	0	0	116.1
647	G	65.7	Low	66.5	Low	8 Å²	8	75.8 Å²	75.8	8%	0.082	39%	0.387	C	S	.	.			trans	-78.9	146.6	172.1	0	0	0	0	0	112.4	S659 I660 Q709	G647-S659 WeakPolarHBondContact CA-OG 3.28Å; G647-S659 PolarHBondContact O-OG 2.74Å; G647-I660 WeakPolarHBondContact CA-O 3.31Å; G647-Q709 PolarHBondContact O-NE2 3.33Å
648	T	53.3	Low	63.9	Low	98 Å²	98	76.8 Å²	76.8	60%	0.601	40%	0.398	S	S	*	.			trans	-79.8	131.8	164.5	41.5	0	0	0	0	109.8	K650 S659	T648-K650 PolarHBondContact O-N 3.38Å; T648-S659 PolarHBondContact N-OG 2.97Å; T648-S659 PolarHBondContact O-OG 3.39Å
649	E	47.9	Very low	61.6	Low	138 Å²	138	76.3 Å²	76.3	65%	0.645	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.6	111.4	170.2	-65.8	-170.3	150	0	0	109.6
650	K	39.8	Very low	59.7	Low	116 Å²	116	82 Å²	82	50%	0.504	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.5	163.2	-67.6	-178	178.1	176.8	0	107.1	T648 D652 G658	T648-K650 PolarHBondContact O-N 3.38Å; K650-D652 PolarHBondContact O-N 2.75Å; K650-G658 WeakPolarHBondContact CA-O 3.44Å; K650-G658 WeakPolarHBondContact CB-O 3.26Å; K650-G658 PolarHBondContact N-O 2.89Å; K650-G658 PolarHBondContact O-N 3.47Å; K650-G658 VanDerWaalsContact O-N 3.15Å; K650-G658 VanDerWaalsContact O-O 3.09Å
651	Q	35.6	Very low	58.4	Low	166 Å²	166	82.2 Å²	82.2	78%	0.776	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	108.7	155.3	-101.3	177.4	-5.8	0	0	106.2
652	D	35.5	Very low	57.8	Low	97 Å²	97	88.1 Å²	88.1	52%	0.519	46%	0.459	S	S	.	.			trans	-69.5	155.8	164.6	-79.1	-22.4	0	0	0	109.5	K650 L654 G655 E656	K650-D652 PolarHBondContact O-N 2.75Å; D652-L654 PolarHBondContact O-N 3.29Å; D652-G655 PolarHBondContact O-N 3Å; D652-E656 PolarHBondContact N-O 3.06Å
653	E	37.6	Very low	57.6	Low	211 Å²	211	89.3 Å²	89.3	99%	0.986	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-12	-178.2	-64.4	-175.1	159.2	0	0	113.9
654	L	37.8	Very low	57.6	Low	165 Å²	165	91.1 Å²	91.1	86%	0.864	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	1.9	177.5	-70.5	162.4	0	0	0	114.1	D652 E656	D652-L654 PolarHBondContact O-N 3.29Å; L654-E656 VanDerWaalsContact C-N 3.33Å; L654-E656 PolarHBondContact O-N 3.02Å
655	G	35.5	Very low	57.9	Low	57 Å²	57	88.3 Å²	88.3	59%	0.588	46%	0.459	S	S	*	.	S	Bend	trans	82	3.1	175.7	0	0	0	0	0	115.4	D652	D652-G655 PolarHBondContact O-N 3Å
656	E	33.8	Very low	58.4	Low	146 Å²	146	88.2 Å²	88.2	68%	0.682	46%	0.459	S	S	*	.			trans	-82.2	134	172.9	-68.3	-174	173.7	0	0	110.9	D652 L654 G658	D652-E656 PolarHBondContact N-O 3.06Å; L654-E656 VanDerWaalsContact C-N 3.33Å; L654-E656 PolarHBondContact O-N 3.02Å; E656-G658 PolarHBondContact O-N 2.87Å
657	R	37.7	Very low	59.5	Low	203 Å²	203	86.6 Å²	86.6	77%	0.766	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	95	178.9	-63.8	-176.7	-173.3	-172.5	4.5	109.1
658	G	42.5	Very low	61.1	Low	22 Å²	22	86.2 Å²	86.2	23%	0.227	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.5	172.3	0	0	0	0	0	110.7	K650 E656	K650-G658 WeakPolarHBondContact CA-O 3.44Å; K650-G658 WeakPolarHBondContact CB-O 3.26Å; K650-G658 PolarHBondContact N-O 2.89Å; K650-G658 PolarHBondContact O-N 3.47Å; K650-G658 VanDerWaalsContact O-N 3.15Å; K650-G658 VanDerWaalsContact O-O 3.09Å; E656-G658 PolarHBondContact O-N 2.87Å
659	S	50.2	Low	63.2	Low	46 Å²	46	81.5 Å²	81.5	32%	0.322	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.1	168.5	-170.9	0	0	0	0	107.5	G647 T648 G661	G647-S659 WeakPolarHBondContact CA-OG 3.28Å; G647-S659 PolarHBondContact O-OG 2.74Å; T648-S659 PolarHBondContact N-OG 2.97Å; T648-S659 PolarHBondContact O-OG 3.39Å; S659-G661 PolarHBondContact O-N 2.83Å
660	I	57.3	Low	65.6	Low	134 Å²	134	78.8 Å²	78.8	69%	0.687	40%	0.396	S	S	*	.			trans	-88.3	102.6	172.5	-56.7	172.7	0	0	0	106.5	G647	G647-I660 WeakPolarHBondContact CA-O 3.31Å
661	G	71.8	Confident	68.3	Low	16 Å²	16	76.7 Å²	76.7	17%	0.165	39%	0.391	C	S	.	.			trans	-94.5	-174.1	175.1	0	0	0	0	0	112.8	E644 S659	E644-G661 PolarHBondContact OE1-N 3.03Å; S659-G661 PolarHBondContact O-N 2.83Å
662	F	85.4	Confident	71.1	Confident	129 Å²	129	68.8 Å²	68.8	57%	0.566	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	137.4	171.8	-65	-86.2	0	0	0	109.6	E644 M645 Y664	E644-F662 WeakPolarHBondContact CA-O 3.38Å; M645-F662 PolarHBondContact N-O 3.33Å; M645-F662 PolarHBondContact O-N 3.24Å; F662-Y664 HydrophobicContact CB-CD2 4.31Å; F662-Y664 HydrophobicContact CB-CE2 3.53Å; F662-Y664 WeakPolarHBondContact O-CD2 3.21Å; F662-Y664 WeakPolarHBondContact O-CE2 3.41Å
663	L	93.1	Very high	74.1	Confident	27 Å²	27	65.1 Å²	65.1	14%	0.141	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124.5	176.8	-162	70.8	0	0	0	109.5	A593 F604 I642 E644 L679	A593-L663 HydrophobicContact CB-CD1 4.09Å; F604-L663 HydrophobicContact CD2-CD2 4.2Å; I642-L663 HydrophobicContact CG2-CD1 3.66Å; I642-L663 HydrophobicContact CG2-CD2 4.2Å; I642-L663 HydrophobicContact CG2-CG 3.79Å; E644-L663 HydrophobicContact CB-CD1 4.41Å; L663-L679 HydrophobicContact CB-CB 4.45Å; L663-L679 HydrophobicContact CD2-CB 4.25Å; L663-L679 HydrophobicContact CD2-CD2 3.57Å; L663-L679 HydrophobicContact CD2-CG 3.85Å; L663-L679 HydrophobicContact CG-CB 4.3Å; L663-L679 HydrophobicContact CG-CD2 4.14Å; L663-L679 HydrophobicContact CG-CG 4.42Å; L663-L679 PolarHBondContact O-N 3.19Å
664	Y	95.2	Very high	76.9	Confident	38 Å²	38	55.4 Å²	55.4	15%	0.149	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.2	179.3	-65.7	-83.2	0	0	0	110.7	I642 V643 M645 F662 R676 T677 V678	I642-Y664 CarbonylContact C-O 3.54Å; I642-Y664 VanDerWaalsContact CA-O 3.26Å; I642-Y664 WeakPolarHBondContact CA-O 3.39Å; V643-Y664 PolarHBondContact N-O 2.94Å; V643-Y664 PolarHBondContact O-N 3.43Å; M645-Y664 HydrophobicContact CB-CD2 4.02Å; M645-Y664 HydrophobicContact CB-CE2 4.03Å; F662-Y664 HydrophobicContact CB-CD2 4.31Å; F662-Y664 HydrophobicContact CB-CE2 3.53Å; F662-Y664 WeakPolarHBondContact O-CD2 3.21Å; F662-Y664 WeakPolarHBondContact O-CE2 3.41Å; Y664-R676 HydrophobicContact CD1-CG 3.92Å; Y664-R676 HydrophobicContact CG-CG 4.41Å; Y664-T677 CarbonylContact C-O 3.57Å; Y664-T677 WeakPolarHBondContact CA-O 3.47Å; Y664-V678 HydrophobicContact CD1-CG2 4.09Å; Y664-V678 HydrophobicContact CE1-CG2 3.68Å
665	L	97.9	Very high	79.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	116.7	163.7	177.1	65.2	0	0	0	109.6	A606 V614 I616 L640 I642 I667 T677 L686	A606-L665 HydrophobicContact CB-CD1 3.68Å; A606-L665 HydrophobicContact CB-CD2 4.33Å; V614-L665 HydrophobicContact CG1-CD2 3.87Å; I616-L665 HydrophobicContact CD1-CD2 4.04Å; L640-L665 HydrophobicContact CB-CD1 4.42Å; L640-L665 HydrophobicContact CD2-CD1 4.25Å; I642-L665 HydrophobicContact CG1-CD1 3.71Å; L665-I667 HydrophobicContact CD2-CD1 4Å; L665-I667 HydrophobicContact CD2-CG1 4.05Å; L665-I667 HydrophobicContact CG-CD1 4.29Å; L665-I667 HydrophobicContact CG-CG1 3.85Å; L665-T677 PolarHBondContact N-O 2.85Å; L665-T677 PolarHBondContact O-N 3.11Å; L665-L686 HydrophobicContact CB-CD2 4.26Å; L665-L686 HydrophobicContact CD2-CD1 4.33Å; L665-L686 HydrophobicContact CD2-CD2 3.82Å
666	N	98.4	Very high	82.6	Confident	1 Å²	1	46 Å²	46	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.7	171.5	-61.3	-88.4	0	0	0	109.1	L640 C641 V643 L674 L675 L701	L640-N666 CarbonylContact C-O 3.58Å; L640-N666 WeakPolarHBondContact CA-O 3.33Å; C641-N666 HydrophobicContact CB-CB 4.35Å; C641-N666 PolarHBondContact N-O 3.41Å; C641-N666 WeakPolarHBondContact O-CB 3.36Å; C641-N666 PolarHBondContact O-N 3.36Å; C641-N666 PolarHBondContact O-ND2 2.91Å; V643-N666 VanDerWaalsContact CG2-ND2 3.33Å; V643-N666 WeakPolarHBondContact CG2-ND2 3.35Å; N666-L674 HydrophobicContact CB-CD1 4.23Å; N666-L675 CarbonylContact C-O 3.16Å; N666-L675 WeakPolarHBondContact CA-O 3.21Å; N666-L701 VanDerWaalsContact C-CD1 3.42Å; N666-L701 HydrophobicContact CB-CD1 3.72Å; N666-L701 VanDerWaalsContact O-CD1 3.24Å; N666-L701 WeakPolarHBondContact O-CD1 3.33Å
667	I	98.6	Very high	85.5	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	108	-174.1	-47.9	171.9	0	0	0	108.1	V614 L633 P637 L640 L665 L669 L674 L675	V614-I667 HydrophobicContact CG2-CD1 4.36Å; V614-I667 HydrophobicContact CG2-CG2 4.22Å; L633-I667 HydrophobicContact CD1-CG2 4.01Å; L633-I667 HydrophobicContact CD2-CD1 4Å; L633-I667 HydrophobicContact CD2-CG2 4.17Å; P637-I667 HydrophobicContact CB-CG2 4.21Å; L640-I667 HydrophobicContact CD2-CB 4Å; L640-I667 HydrophobicContact CD2-CG1 3.77Å; L640-I667 HydrophobicContact CD2-CG2 3.75Å; L665-I667 HydrophobicContact CD2-CD1 4Å; L665-I667 HydrophobicContact CD2-CG1 4.05Å; L665-I667 HydrophobicContact CG-CD1 4.29Å; L665-I667 HydrophobicContact CG-CG1 3.85Å; I667-L669 HydrophobicContact CG2-CD2 3.73Å; I667-L674 WeakPolarHBondContact O-CA 3.25Å; I667-L675 HydrophobicContact CB-CB 4.1Å; I667-L675 HydrophobicContact CD1-CB 4.44Å; I667-L675 PolarHBondContact N-O 3.21Å; I667-L675 PolarHBondContact O-N 2.91Å
668	G	98.4	Very high	88.2	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.5	173.3	0	0	0	0	0	110.1	E638 S639	E638-G668 PolarHBondContact N-O 3.22Å; S639-G668 PolarHBondContact N-O 2.91Å; S639-G668 PolarHBondContact O-N 2.87Å
669	L	98.4	Very high	90.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	156.6	-178.9	-55.2	-174.3	0	0	0	111.8	L633 P634 A635 Q636 P637 I667 N671 G672 V673 L675 V699	L633-L669 HydrophobicContact CB-CD2 4.34Å; L633-L669 HydrophobicContact CD1-CD2 3.84Å; L633-L669 HydrophobicContact CG-CD2 4.49Å; P634-L669 HydrophobicContact CG-CD1 3.6Å; A635-L669 HydrophobicContact CB-CB 4.35Å; A635-L669 HydrophobicContact CB-CD1 4.32Å; Q636-L669 WeakPolarHBondContact O-CA 3.37Å; P637-L669 HydrophobicContact CB-CD2 4.33Å; I667-L669 HydrophobicContact CG2-CD2 3.73Å; L669-N671 VanDerWaalsContact CB-OD1 3.23Å; L669-N671 WeakPolarHBondContact CB-OD1 3.24Å; L669-N671 PolarHBondContact O-N 3.36Å; L669-G672 PolarHBondContact O-N 3.2Å; L669-V673 HydrophobicContact CB-CB 4.37Å; L669-V673 WeakPolarHBondContact CB-O 3.45Å; L669-V673 HydrophobicContact CD1-CB 4.12Å; L669-V673 HydrophobicContact CD1-CG1 4.19Å; L669-V673 WeakPolarHBondContact CG-O 3.45Å; L669-V673 PolarHBondContact N-O 3.43Å; L669-L675 HydrophobicContact CD1-CD1 4.19Å; L669-L675 HydrophobicContact CD1-CG 4.28Å; L669-V699 PolarHBondContact O-N 2.82Å
670	Q	97.9	Very high	92.8	Very high	81 Å²	81	30.3 Å²	30.3	38%	0.379	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.4	178.9	-76.7	-174.9	-1.3	0	0	114.4	Q636 E638 G672	Q636-Q670 HydrophobicContact CB-CG 4.29Å; Q636-Q670 VanDerWaalsContact CD-NE2 3.31Å; Q636-Q670 PolarHBondContact O-N 2.86Å; Q636-Q670 VanDerWaalsContact OE1-CD 3.3Å; E638-Q670 HydrophobicContact CB-CG 4.3Å; Q670-G672 PolarHBondContact O-N 3.41Å
671	N	96	Very high	94.4	Very high	72 Å²	72	28 Å²	28	39%	0.385	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	12.7	178.9	68.1	-13.9	0	0	0	113.3	A635 L669 V673	A635-N671 HydrophobicContact CB-CB 4.22Å; L669-N671 VanDerWaalsContact CB-OD1 3.23Å; L669-N671 WeakPolarHBondContact CB-OD1 3.24Å; L669-N671 PolarHBondContact O-N 3.36Å; N671-V673 WeakPolarHBondContact OD1-CB 3.47Å; N671-V673 WeakPolarHBondContact OD1-CG2 3.3Å; N671-V673 PolarHBondContact OD1-N 3.02Å
672	G	95.4	Very high	95.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	85.3	8.2	177.1	0	0	0	0	0	115.7	L669 Q670 L694 G695 R697 V699	L669-G672 PolarHBondContact O-N 3.2Å; Q670-G672 PolarHBondContact O-N 3.41Å; G672-L694 PolarHBondContact O-N 2.6Å; G672-G695 WeakPolarHBondContact CA-O 3.33Å; G672-R697 VanDerWaalsContact CA-O 3.26Å; G672-R697 WeakPolarHBondContact CA-O 3.48Å; G672-V699 VanDerWaalsContact C-CG2 3.41Å
673	V	96.7	Very high	95.7	Very high	19 Å²	19	28.6 Å²	28.6	12%	0.115	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	135.2	179.4	175.6	0	0	0	0	110.8	L669 N671 L675 T691 R692 Y693	L669-V673 HydrophobicContact CB-CB 4.37Å; L669-V673 WeakPolarHBondContact CB-O 3.45Å; L669-V673 HydrophobicContact CD1-CB 4.12Å; L669-V673 HydrophobicContact CD1-CG1 4.19Å; L669-V673 WeakPolarHBondContact CG-O 3.45Å; L669-V673 PolarHBondContact N-O 3.43Å; N671-V673 WeakPolarHBondContact OD1-CB 3.47Å; N671-V673 WeakPolarHBondContact OD1-CG2 3.3Å; N671-V673 PolarHBondContact OD1-N 3.02Å; V673-L675 HydrophobicContact CG1-CD2 4.06Å; V673-T691 HydrophobicContact CG1-CG2 3.52Å; V673-R692 CarbonylContact C-O 3.6Å; V673-R692 WeakPolarHBondContact CA-O 3.15Å; V673-Y693 HydrophobicContact CG2-CD2 4.12Å
674	L	97.2	Very high	95.8	Very high	7 Å²	7	27.3 Å²	27.3	4%	0.037	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.3	166.9	174.9	61.3	0	0	0	109.6	N666 I667 T691 R692 L694 L701 A714 L731	N666-L674 HydrophobicContact CB-CD1 4.23Å; I667-L674 WeakPolarHBondContact O-CA 3.25Å; L674-T691 WeakPolarHBondContact O-CA 3.39Å; L674-R692 PolarHBondContact N-O 3.22Å; L674-R692 PolarHBondContact O-N 3.32Å; L674-L694 HydrophobicContact CB-CD1 3.72Å; L674-L694 HydrophobicContact CB-CD2 4.28Å; L674-L694 HydrophobicContact CB-CG 3.89Å; L674-L694 HydrophobicContact CD2-CD1 3.99Å; L674-L694 HydrophobicContact CG-CD1 4.44Å; L674-L701 HydrophobicContact CD1-CD1 4.17Å; L674-L701 HydrophobicContact CD1-CD2 3.75Å; L674-A714 HydrophobicContact CD2-CB 4.32Å; L674-L731 HydrophobicContact CD2-CD1 4.13Å; L674-L731 HydrophobicContact CD2-CD2 4.24Å
675	L	97.2	Very high	95.8	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.031	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.9	163.5	-48.8	175.1	0	0	0	109.9	L633 N666 I667 L669 V673 T689 R690 T691	L633-L675 HydrophobicContact CD2-CD1 3.7Å; N666-L675 CarbonylContact C-O 3.16Å; N666-L675 WeakPolarHBondContact CA-O 3.21Å; I667-L675 HydrophobicContact CB-CB 4.1Å; I667-L675 HydrophobicContact CD1-CB 4.44Å; I667-L675 PolarHBondContact N-O 3.21Å; I667-L675 PolarHBondContact O-N 2.91Å; L669-L675 HydrophobicContact CD1-CD1 4.19Å; L669-L675 HydrophobicContact CD1-CG 4.28Å; V673-L675 HydrophobicContact CG1-CD2 4.06Å; L675-T689 HydrophobicContact CB-CG2 3.98Å; L675-T689 HydrophobicContact CD2-CG2 4.22Å; L675-T689 HydrophobicContact CG-CG2 4.48Å; L675-R690 CarbonylContact C-O 3.5Å; L675-R690 WeakPolarHBondContact CA-O 3.41Å; L675-T691 HydrophobicContact CD2-CG2 3.68Å; L675-T691 WeakPolarHBondContact CD2-OG1 3.02Å
676	R	95.3	Very high	95.7	Very high	20 Å²	20	31.5 Å²	31.5	8%	0.075	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.6	169.9	178.6	-175.8	87.3	-124.5	8.4	107.8	Y664 T689 R690 F729 E1209	Y664-R676 HydrophobicContact CD1-CG 3.92Å; Y664-R676 HydrophobicContact CG-CG 4.41Å; R676-T689 CarbonylContact O-C 3.51Å; R676-T689 WeakPolarHBondContact O-CA 3.43Å; R676-R690 HydrophobicContact CB-CB 4.26Å; R676-R690 PolarHBondContact N-O 3.5Å; R676-R690 PolarHBondContact O-N 3.2Å; R676-F729 VanDerWaalsContact CD-CE2 3.5Å; R676-E1209 IonicContact CZ-OE1 2.82Å; R676-E1209 IonicContact NH1-OE1 2.99Å; R676-E1209 PolarHBondContact NH1-OE1 3.16Å; R676-E1209 VanDerWaalsContact NH1-OE1 3.14Å; R676-E1209 IonicContact NH2-OE1 3.77Å; R676-E1209 PolarHBondContact NH2-OE1 3.35Å; R676-E1209 IonicContact NH2-OE2 2.71Å; R676-E1209 PolarHBondContact NH2-OE2 2.96Å; R676-E1209 VanDerWaalsContact NH2-OE2 3.13Å
677	T	95.5	Very high	95.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.5	-175.1	-58.1	0	0	0	0	109.2	Q631 Y664 L665 L679 L686 S687 T689	Q631-T677 PolarHBondContact OE1-OG1 3.02Å; Y664-T677 CarbonylContact C-O 3.57Å; Y664-T677 WeakPolarHBondContact CA-O 3.47Å; L665-T677 PolarHBondContact N-O 2.85Å; L665-T677 PolarHBondContact O-N 3.11Å; T677-L679 PolarHBondContact O-N 2.88Å; T677-L686 HydrophobicContact CG2-CB 3.73Å; T677-L686 HydrophobicContact CG2-CD2 3.78Å; T677-L686 HydrophobicContact CG2-CG 4.29Å; T677-S687 VanDerWaalsContact CG2-O 3.23Å; T677-S687 WeakPolarHBondContact CG2-O 3.43Å; T677-T689 WeakPolarHBondContact CG2-OG1 3.27Å; T677-T689 WeakPolarHBondContact OG1-CG2 3.25Å; T677-T689 PolarHBondContact OG1-OG1 3Å
678	V	93.8	Very high	94.9	Very high	30 Å²	30	36.9 Å²	36.9	18%	0.182	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	128	172	177.2	0	0	0	0	108.3	Y664 L686 S687 D688	Y664-V678 HydrophobicContact CD1-CG2 4.09Å; Y664-V678 HydrophobicContact CE1-CG2 3.68Å; V678-L686 WeakPolarHBondContact O-CA 3.42Å; V678-S687 PolarHBondContact N-O 2.9Å; V678-S687 PolarHBondContact O-N 2.85Å; V678-D688 HydrophobicContact CG2-CB 4.02Å
679	L	96	Very high	94.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	113.9	175.2	177	59.7	0	0	0	108.3	F604 I616 I642 L663 T677 G684 L686	F604-L679 HydrophobicContact CB-CD2 4.29Å; F604-L679 HydrophobicContact CD2-CD2 4.04Å; F604-L679 HydrophobicContact CD2-CG 4.26Å; F604-L679 HydrophobicContact CG-CD2 4.46Å; I616-L679 HydrophobicContact CD1-CD1 4.16Å; I616-L679 HydrophobicContact CG1-CD1 4.07Å; I616-L679 HydrophobicContact CG2-CD1 4.3Å; I642-L679 HydrophobicContact CD1-CD2 4.24Å; I642-L679 HydrophobicContact CG2-CD2 4.12Å; L663-L679 HydrophobicContact CB-CB 4.45Å; L663-L679 HydrophobicContact CD2-CB 4.25Å; L663-L679 HydrophobicContact CD2-CD2 3.57Å; L663-L679 HydrophobicContact CD2-CG 3.85Å; L663-L679 HydrophobicContact CG-CB 4.3Å; L663-L679 HydrophobicContact CG-CD2 4.14Å; L663-L679 HydrophobicContact CG-CG 4.42Å; L663-L679 PolarHBondContact O-N 3.19Å; T677-L679 PolarHBondContact O-N 2.88Å; L679-G684 WeakPolarHBondContact CD1-O 3.35Å; L679-L686 HydrophobicContact CB-CD2 4.41Å; L679-L686 HydrophobicContact CD1-CD2 3.89Å
680	D	93.9	Very high	94.3	Very high	56 Å²	56	39 Å²	39	30%	0.299	22%	0.221	S	C	.	.			trans	-65.1	124.6	179.9	-179	-90.3	0	0	0	110.6	F604 V682 T683 G684 D685	F604-D680 VanDerWaalsContact CE2-O 3.32Å; F604-D680 WeakPolarHBondContact CE2-O 3.48Å; D680-V682 PolarHBondContact O-N 2.87Å; D680-V682 VanDerWaalsContact O-N 3.11Å; D680-V682 WeakPolarHBondContact OD1-CA 2.95Å; D680-V682 PolarHBondContact OD1-N 3.23Å; D680-T683 VanDerWaalsContact CB-OG1 3.27Å; D680-T683 WeakPolarHBondContact CB-OG1 3.4Å; D680-T683 PolarHBondContact OD1-N 2.92Å; D680-T683 PolarHBondContact OD1-OG1 3.01Å; D680-G684 WeakPolarHBondContact O-CA 3.29Å; D680-G684 PolarHBondContact O-N 2.98Å; D680-D685 HydrophobicContact CB-CB 4.41Å; D680-D685 PolarHBondContact N-O 2.77Å
681	P	90.9	Very high	94	Very high	86 Å²	86	38.7 Å²	38.7	56%	0.558	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.4	-172.7	26.5	-34.1	0	0	0	113.6	F604	F604-P681 WeakPolarHBondContact CE2-O 3.49Å
682	V	91.3	Very high	93.7	Very high	94 Å²	94	36.9 Å²	36.9	57%	0.57	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-39.4	-174.9	-177	0	0	0	0	112.5	R603 D680	R603-V682 PolarHBondContact NH1-O 3.15Å; R603-V682 PolarHBondContact NH2-O 2.82Å; R603-V682 VanDerWaalsContact NH2-O 3.12Å; D680-V682 PolarHBondContact O-N 2.87Å; D680-V682 VanDerWaalsContact O-N 3.11Å; D680-V682 WeakPolarHBondContact OD1-CA 2.95Å; D680-V682 PolarHBondContact OD1-N 3.23Å
683	T	93.5	Very high	93.5	Very high	64 Å²	64	43.9 Å²	43.9	39%	0.393	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-24.2	-173.5	57.5	0	0	0	0	112.5	D680 D685	D680-T683 VanDerWaalsContact CB-OG1 3.27Å; D680-T683 WeakPolarHBondContact CB-OG1 3.4Å; D680-T683 PolarHBondContact OD1-N 2.92Å; D680-T683 PolarHBondContact OD1-OG1 3.01Å; T683-D685 WeakPolarHBondContact OG1-CB 3.44Å; T683-D685 PolarHBondContact OG1-N 2.86Å
684	G	94.1	Very high	93.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.236	C	C	.	.			trans	75	12.1	-170.2	0	0	0	0	0	113.2	F604 S629 L679 D680	F604-G684 VanDerWaalsContact CZ-N 3.34Å; S629-G684 WeakPolarHBondContact CB-O 3.46Å; S629-G684 PolarHBondContact OG-O 3.44Å; L679-G684 WeakPolarHBondContact CD1-O 3.35Å; D680-G684 WeakPolarHBondContact O-CA 3.29Å; D680-G684 PolarHBondContact O-N 2.98Å
685	D	96.3	Very high	92.9	Very high	89 Å²	89	43.1 Å²	43.1	48%	0.476	24%	0.237	S	C	.	.			trans	-69.7	145.6	175.9	-77.9	-23.9	0	0	0	111.6	D680 T683	D680-D685 HydrophobicContact CB-CB 4.41Å; D680-D685 PolarHBondContact N-O 2.77Å; T683-D685 WeakPolarHBondContact OG1-CB 3.44Å; T683-D685 PolarHBondContact OG1-N 2.86Å
686	L	95.5	Very high	92.7	Very high	37 Å²	37	47.1 Å²	47.1	19%	0.194	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.1	-178	-71.4	176.6	0	0	0	109.6	I616 Q631 L665 T677 V678 L679	I616-L686 HydrophobicContact CD1-CD1 4.36Å; I616-L686 HydrophobicContact CD1-CD2 4.27Å; I616-L686 HydrophobicContact CG1-CD1 3.99Å; I616-L686 HydrophobicContact CG1-CD2 4.22Å; I616-L686 HydrophobicContact CG1-CG 4.04Å; Q631-L686 HydrophobicContact CB-CD1 3.7Å; L665-L686 HydrophobicContact CB-CD2 4.26Å; L665-L686 HydrophobicContact CD2-CD1 4.33Å; L665-L686 HydrophobicContact CD2-CD2 3.82Å; T677-L686 HydrophobicContact CG2-CB 3.73Å; T677-L686 HydrophobicContact CG2-CD2 3.78Å; T677-L686 HydrophobicContact CG2-CG 4.29Å; V678-L686 WeakPolarHBondContact O-CA 3.42Å; L679-L686 HydrophobicContact CB-CD2 4.41Å; L679-L686 HydrophobicContact CD1-CD2 3.89Å
687	S	92.6	Very high	92.6	Very high	62 Å²	62	52.2 Å²	52.2	43%	0.434	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	169.2	-177.2	66.3	0	0	0	0	112.9	T677 V678 T689	T677-S687 VanDerWaalsContact CG2-O 3.23Å; T677-S687 WeakPolarHBondContact CG2-O 3.43Å; V678-S687 PolarHBondContact N-O 2.9Å; V678-S687 PolarHBondContact O-N 2.85Å; S687-T689 PolarHBondContact O-N 3.27Å
688	D	87.9	Confident	92.8	Very high	51 Å²	51	54.9 Å²	54.9	27%	0.273	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.5	49	175.7	-168.9	27.5	0	0	0	115.5	V678 R690	V678-D688 HydrophobicContact CG2-CB 4.02Å; D688-R690 PolarHBondContact O-N 2.86Å; D688-R690 IonicContact OD1-CZ 2.98Å; D688-R690 VanDerWaalsContact OD1-CZ 3.23Å; D688-R690 IonicContact OD1-NE 2.65Å; D688-R690 PolarHBondContact OD1-NE 2.84Å; D688-R690 IonicContact OD1-NH2 3.05Å; D688-R690 PolarHBondContact OD1-NH2 2.97Å; D688-R690 IonicContact OD2-CZ 3.82Å; D688-R690 IonicContact OD2-NE 2.63Å; D688-R690 PolarHBondContact OD2-NE 2.91Å; D688-R690 IonicContact OD2-NH2 3.95Å; D688-R690 PolarHBondContact OD2-NH2 2.9Å
689	T	92	Very high	93	Very high	33 Å²	33	53.4 Å²	53.4	20%	0.202	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	131.5	178.7	-57.2	0	0	0	0	112.3	Q631 L675 R676 T677 S687 K1206	Q631-T689 PolarHBondContact NE2-OG1 2.87Å; L675-T689 HydrophobicContact CB-CG2 3.98Å; L675-T689 HydrophobicContact CD2-CG2 4.22Å; L675-T689 HydrophobicContact CG-CG2 4.48Å; R676-T689 CarbonylContact O-C 3.51Å; R676-T689 WeakPolarHBondContact O-CA 3.43Å; T677-T689 WeakPolarHBondContact CG2-OG1 3.27Å; T677-T689 WeakPolarHBondContact OG1-CG2 3.25Å; T677-T689 PolarHBondContact OG1-OG1 3Å; S687-T689 PolarHBondContact O-N 3.27Å; T689-K1206 PolarHBondContact O-NZ 3.38Å
690	R	90.6	Very high	93.1	Very high	11 Å²	11	56.7 Å²	56.7	4%	0.042	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	139.5	176.1	-48.7	-62.3	178.3	140.6	-13.7	109	L675 R676 D688 P1202 K1206 E1209	L675-R690 CarbonylContact C-O 3.5Å; L675-R690 WeakPolarHBondContact CA-O 3.41Å; R676-R690 HydrophobicContact CB-CB 4.26Å; R676-R690 PolarHBondContact N-O 3.5Å; R676-R690 PolarHBondContact O-N 3.2Å; D688-R690 PolarHBondContact O-N 2.86Å; D688-R690 IonicContact OD1-CZ 2.98Å; D688-R690 VanDerWaalsContact OD1-CZ 3.23Å; D688-R690 IonicContact OD1-NE 2.65Å; D688-R690 PolarHBondContact OD1-NE 2.84Å; D688-R690 IonicContact OD1-NH2 3.05Å; D688-R690 PolarHBondContact OD1-NH2 2.97Å; D688-R690 IonicContact OD2-CZ 3.82Å; D688-R690 IonicContact OD2-NE 2.63Å; D688-R690 PolarHBondContact OD2-NE 2.91Å; D688-R690 IonicContact OD2-NH2 3.95Å; D688-R690 PolarHBondContact OD2-NH2 2.9Å; R690-P1202 PolarHBondContact NH2-O 2.91Å; R690-K1206 VanDerWaalsContact CZ-CB 3.5Å; R690-E1209 IonicContact CZ-OE2 3.01Å; R690-E1209 IonicContact NH1-OE2 3.88Å; R690-E1209 PolarHBondContact NH1-OE2 3.11Å
691	T	91.5	Very high	93.3	Very high	75 Å²	75	54.7 Å²	54.7	46%	0.46	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.6	-175.4	-56.5	0	0	0	0	110.6	V673 L674 L675	V673-T691 HydrophobicContact CG1-CG2 3.52Å; L674-T691 WeakPolarHBondContact O-CA 3.39Å; L675-T691 HydrophobicContact CD2-CG2 3.68Å; L675-T691 WeakPolarHBondContact CD2-OG1 3.02Å
692	R	91.3	Very high	93.6	Very high	35 Å²	35	51.6 Å²	51.6	13%	0.132	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	136.3	177.5	-67.2	-67.1	-179	-104.7	11.3	110.6	V673 L674 L694 L731 E1209 D1210 T1213	V673-R692 CarbonylContact C-O 3.6Å; V673-R692 WeakPolarHBondContact CA-O 3.15Å; L674-R692 PolarHBondContact N-O 3.22Å; L674-R692 PolarHBondContact O-N 3.32Å; R692-L694 HydrophobicContact CB-CD2 4.13Å; R692-L731 HydrophobicContact CB-CD2 3.82Å; R692-L731 HydrophobicContact CG-CD2 3.71Å; R692-E1209 PolarHBondContact NH2-O 3.28Å; R692-D1210 IonicContact CZ-OD1 3.79Å; R692-D1210 IonicContact NH1-OD1 3.01Å; R692-D1210 PolarHBondContact NH1-OD1 3.25Å; R692-D1210 VanDerWaalsContact NH1-OD1 3.09Å; R692-D1210 IonicContact NH2-OD1 3.1Å; R692-D1210 PolarHBondContact NH2-OD1 3.48Å; R692-D1210 VanDerWaalsContact NH2-OD1 3.08Å; R692-T1213 VanDerWaalsContact CZ-OG1 3.31Å; R692-T1213 PolarHBondContact NE-OG1 2.96Å; R692-T1213 VanDerWaalsContact NH2-CB 3.29Å; R692-T1213 PolarHBondContact NH2-OG1 3.48Å
693	Y	90.9	Very high	93.8	Very high	146 Å²	146	50.1 Å²	50.1	57%	0.573	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	121.6	171.4	175.7	-100.4	0	0	0	108.6	V673 G695 S696	V673-Y693 HydrophobicContact CG2-CD2 4.12Å; Y693-G695 WeakPolarHBondContact CE2-O 3.32Å; Y693-G695 VanDerWaalsContact OH-C 3.26Å; Y693-G695 PolarHBondContact OH-O 3.11Å; Y693-S696 WeakPolarHBondContact OH-CA 3.31Å; Y693-S696 PolarHBondContact OH-N 3.13Å
694	L	91.3	Very high	93.8	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.026	24%	0.242	C	C	.	.			trans	-100.2	-20.7	-173.6	-57.4	-167.6	0	0	0	113.3	G672 L674 R692 V699 A714 W720 L731	G672-L694 PolarHBondContact O-N 2.6Å; L674-L694 HydrophobicContact CB-CD1 3.72Å; L674-L694 HydrophobicContact CB-CD2 4.28Å; L674-L694 HydrophobicContact CB-CG 3.89Å; L674-L694 HydrophobicContact CD2-CD1 3.99Å; L674-L694 HydrophobicContact CG-CD1 4.44Å; R692-L694 HydrophobicContact CB-CD2 4.13Å; L694-V699 HydrophobicContact CB-CG2 4.43Å; L694-V699 HydrophobicContact CD1-CG1 3.92Å; L694-V699 HydrophobicContact CD1-CG2 4.22Å; L694-V699 HydrophobicContact CG-CG2 4.47Å; L694-A714 HydrophobicContact CD1-CB 3.56Å; L694-W720 HydrophobicContact CB-CG 4.49Å; L694-W720 HydrophobicContact CD1-CB 4.48Å; L694-W720 HydrophobicContact CD1-CG 4.34Å; L694-W720 HydrophobicContact CD2-CD2 3.95Å; L694-W720 HydrophobicContact CD2-CE3 4.4Å; L694-W720 HydrophobicContact CD2-CG 4.06Å; L694-W720 PolarHBondContact O-NE1 3.49Å; L694-L731 HydrophobicContact CD2-CD2 3.92Å
695	G	89.8	Confident	93.7	Very high	6 Å²	6	54.7 Å²	54.7	6%	0.062	27%	0.269	C	S	.	.			trans	160.6	178.4	-172.8	0	0	0	0	0	112.9	G672 Y693 S716 S717	G672-G695 WeakPolarHBondContact CA-O 3.33Å; Y693-G695 WeakPolarHBondContact CE2-O 3.32Å; Y693-G695 VanDerWaalsContact OH-C 3.26Å; Y693-G695 PolarHBondContact OH-O 3.11Å; G695-S716 VanDerWaalsContact C-OG 3.23Å; G695-S716 VanDerWaalsContact CA-OG 3.3Å; G695-S716 WeakPolarHBondContact CA-OG 3.33Å; G695-S716 PolarHBondContact O-OG 2.85Å; G695-S717 WeakPolarHBondContact CA-OG 3.31Å
696	S	91.7	Very high	93.2	Very high	89 Å²	89	50.9 Å²	50.9	62%	0.622	25%	0.249	S	C	*	.	S	Bend	trans	-83.7	-8.2	-173.7	55.2	0	0	0	0	114.7	Y693 S717	Y693-S696 WeakPolarHBondContact OH-CA 3.31Å; Y693-S696 PolarHBondContact OH-N 3.13Å; S696-S717 PolarHBondContact N-OG 2.87Å; S696-S717 VanDerWaalsContact N-OG 3.08Å
697	R	95.1	Very high	92.5	Very high	127 Å²	127	53.8 Å²	53.8	48%	0.479	26%	0.261	S	S	.	.	S	Bend	trans	-98.9	154.4	-179.8	-63.8	-177.6	-179.1	-178	0.5	111.1	G672 S716	G672-R697 VanDerWaalsContact CA-O 3.26Å; G672-R697 WeakPolarHBondContact CA-O 3.48Å; R697-S716 PolarHBondContact N-OG 2.96Å; R697-S716 PolarHBondContact O-OG 2.94Å
698	P	97.9	Very high	92	Very high	56 Å²	56	52.3 Å²	52.3	36%	0.364	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-48.5	139.4	170	-29	36	0	0	0	113	E638	E638-P698 HydrophobicContact CB-CB 4.18Å; E638-P698 HydrophobicContact CG-CB 3.7Å
699	V	98	Very high	92	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-86.4	118.4	-176.9	-179.7	0	0	0	0	111.1	S639 L669 G672 L694 L701 A714 M715	S639-V699 PolarHBondContact OG-O 2.94Å; L669-V699 PolarHBondContact O-N 2.82Å; G672-V699 VanDerWaalsContact C-CG2 3.41Å; L694-V699 HydrophobicContact CB-CG2 4.43Å; L694-V699 HydrophobicContact CD1-CG1 3.92Å; L694-V699 HydrophobicContact CD1-CG2 4.22Å; L694-V699 HydrophobicContact CG-CG2 4.47Å; V699-L701 HydrophobicContact CG1-CD2 3.96Å; V699-L701 HydrophobicContact CG1-CG 4.31Å; V699-A714 HydrophobicContact CG1-CB 4.24Å; V699-M715 CarbonylContact C-O 3.59Å; V699-M715 WeakPolarHBondContact CA-O 3.47Å
700	K	98.1	Very high	92	Very high	68 Å²	68	52.5 Å²	52.5	30%	0.296	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	136.8	170.5	-62.4	-175.8	-174.8	177.4	0	110.7	E638 S639 F702 A714 M715 E740	E638-K700 HydrophobicContact CG-CG 4.49Å; S639-K700 VanDerWaalsContact OG-CA 3.29Å; S639-K700 WeakPolarHBondContact OG-CA 3.2Å; K700-F702 HydrophobicContact CB-CE2 3.69Å; K700-F702 HydrophobicContact CB-CZ 3.76Å; K700-F702 HydrophobicContact CD-CZ 4.21Å; K700-A714 CarbonylContact O-C 2.99Å; K700-A714 WeakPolarHBondContact O-CA 3.35Å; K700-M715 HydrophobicContact CB-CB 4.45Å; K700-M715 PolarHBondContact N-O 3.29Å; K700-M715 PolarHBondContact O-N 3.17Å; K700-E740 WeakPolarHBondContact CD-O 3.5Å; K700-E740 PolarHBondContact NZ-O 2.61Å
701	L	98.3	Very high	92.2	Very high	14 Å²	14	52 Å²	52	7%	0.073	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.4	-175.1	-61.8	170.2	0	0	0	111.3	S639 C641 N666 L674 V699 V712 L713 A714	S639-L701 WeakPolarHBondContact OG-CG 3.41Å; S639-L701 PolarHBondContact OG-N 3.38Å; C641-L701 HydrophobicContact CB-CB 3.71Å; C641-L701 HydrophobicContact CB-CD1 4.18Å; N666-L701 VanDerWaalsContact C-CD1 3.42Å; N666-L701 HydrophobicContact CB-CD1 3.72Å; N666-L701 VanDerWaalsContact O-CD1 3.24Å; N666-L701 WeakPolarHBondContact O-CD1 3.33Å; L674-L701 HydrophobicContact CD1-CD1 4.17Å; L674-L701 HydrophobicContact CD1-CD2 3.75Å; V699-L701 HydrophobicContact CG1-CD2 3.96Å; V699-L701 HydrophobicContact CG1-CG 4.31Å; L701-V712 HydrophobicContact CB-CG1 4.25Å; L701-V712 HydrophobicContact CD2-CG1 3.71Å; L701-L713 WeakPolarHBondContact CA-O 3.44Å; L701-A714 HydrophobicContact CD2-CB 3.54Å
702	F	97.2	Very high	92.4	Very high	21 Å²	21	48.4 Å²	48.4	9%	0.092	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.6	179.9	-51.7	-80	0	0	0	109.8	K700 V712 L713 M715 F741 A742	K700-F702 HydrophobicContact CB-CE2 3.69Å; K700-F702 HydrophobicContact CB-CZ 3.76Å; K700-F702 HydrophobicContact CD-CZ 4.21Å; F702-V712 WeakPolarHBondContact O-CA 3.41Å; F702-L713 HydrophobicContact CB-CB 4.33Å; F702-L713 PolarHBondContact N-O 2.99Å; F702-L713 PolarHBondContact O-N 2.82Å; F702-M715 HydrophobicContact CD2-CE 4.2Å; F702-M715 HydrophobicContact CD2-CG 4.21Å; F702-M715 HydrophobicContact CD2-SD 4.05Å; F702-M715 HydrophobicContact CE2-CB 4.31Å; F702-M715 HydrophobicContact CE2-CE 4.15Å; F702-M715 HydrophobicContact CE2-CG 3.88Å; F702-M715 HydrophobicContact CE2-SD 3.46Å; F702-M715 WeakPolarHBondContact CE2-SD 3.43Å; F702-M715 HydrophobicContact CZ-SD 4.32Å; F702-F741 HydrophobicContact CD1-CD1 4.33Å; F702-F741 HydrophobicContact CD1-CE1 4.13Å; F702-F741 HydrophobicContact CD1-CZ 4.42Å; F702-F741 AromaticContact CE1-CD1 3.59Å; F702-F741 HydrophobicContact CE1-CD1 3.59Å; F702-F741 AromaticContact CE1-CD2 3.76Å; F702-F741 HydrophobicContact CE1-CD2 3.76Å; F702-F741 AromaticContact CE1-CE1 3.53Å; F702-F741 HydrophobicContact CE1-CE1 3.53Å; F702-F741 AromaticContact CE1-CE2 3.71Å; F702-F741 HydrophobicContact CE1-CE2 3.71Å; F702-F741 AromaticContact CE1-CG 3.7Å; F702-F741 HydrophobicContact CE1-CG 3.7Å; F702-F741 AromaticContact CE1-CZ 3.6Å; F702-F741 HydrophobicContact CE1-CZ 3.6Å; F702-F741 HydrophobicContact CZ-CB 4.32Å; F702-F741 HydrophobicContact CZ-CD1 4.15Å; F702-F741 AromaticContact CZ-CD2 3.84Å; F702-F741 HydrophobicContact CZ-CD2 3.84Å; F702-F741 HydrophobicContact CZ-CE1 4.46Å; F702-F741 HydrophobicContact CZ-CE2 4.19Å; F702-F741 AromaticContact CZ-CG 3.82Å; F702-F741 HydrophobicContact CZ-CG 3.82Å; F702-F741 HydrophobicContact CZ-CZ 4.49Å; F702-A742 WeakPolarHBondContact CD1-O 3.37Å; F702-A742 HydrophobicContact CD2-CB 4.44Å; F702-A742 HydrophobicContact CG-CB 4.49Å; F702-A742 WeakPolarHBondContact CG-O 3.28Å
703	R	95.5	Very high	92.7	Very high	63 Å²	63	46.8 Å²	46.8	24%	0.238	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127	170.9	-174	-176.9	-62.1	136.4	11.9	108.5	L592 N594 I642 V643 E710	L592-R703 PolarHBondContact O-NH2 3.33Å; N594-R703 VanDerWaalsContact CG-NH1 3.33Å; N594-R703 PolarHBondContact OD1-NH1 3.11Å; I642-R703 PolarHBondContact O-NE 2.81Å; I642-R703 PolarHBondContact O-NH2 2.8Å; V643-R703 HydrophobicContact CG1-CB 4.41Å; V643-R703 HydrophobicContact CG1-CG 3.95Å; R703-E710 IonicContact NE-OE2 3.6Å
704	V	95	Very high	93.1	Very high	6 Å²	6	39.8 Å²	39.8	4%	0.036	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	170.7	174.9	-60.3	0	0	0	0	109.1	M706 A711 L713 L721 I754	V704-M706 HydrophobicContact CG2-CG 4.48Å; V704-A711 HydrophobicContact CG2-CB 3.93Å; V704-A711 PolarHBondContact N-O 3.32Å; V704-A711 PolarHBondContact O-N 2.89Å; V704-A711 VanDerWaalsContact O-O 3.1Å; V704-L713 HydrophobicContact CG1-CB 4.1Å; V704-L713 HydrophobicContact CG2-CB 4.31Å; V704-L721 HydrophobicContact CG2-CD1 3.89Å; V704-I754 HydrophobicContact CG1-CG1 4.3Å
705	R	90.6	Very high	93.3	Very high	155 Å²	155	39.8 Å²	39.8	59%	0.585	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.9	176.7	-164.3	178.4	-168.3	175.9	-1.3	109.8	G708 Q709	R705-G708 PolarHBondContact NE-O 3.3Å; R705-G708 VanDerWaalsContact NE-O 3.1Å; R705-G708 PolarHBondContact NH2-O 3.14Å; R705-Q709 CarbonylContact C-O 3.45Å; R705-Q709 WeakPolarHBondContact CA-O 3.44Å; R705-Q709 WeakPolarHBondContact CG-O 3.47Å
706	M	86.8	Confident	93.5	Very high	9 Å²	9	39.7 Å²	39.7	4%	0.044	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	126.5	-179	-68.9	-71.2	144.6	0	0	109.4	V704 G708 Q709 A711 L721 I754 L767 L770	V704-M706 HydrophobicContact CG2-CG 4.48Å; M706-G708 VanDerWaalsContact C-N 3.27Å; M706-G708 PolarHBondContact O-N 2.82Å; M706-Q709 PolarHBondContact N-O 2.95Å; M706-Q709 PolarHBondContact O-N 2.85Å; M706-A711 HydrophobicContact CB-CB 4.09Å; M706-A711 HydrophobicContact CG-CB 3.96Å; M706-L721 HydrophobicContact CG-CD1 4.35Å; M706-L721 HydrophobicContact CG-CD2 4.1Å; M706-L721 HydrophobicContact SD-CD2 4.43Å; M706-I754 HydrophobicContact CE-CD1 3.88Å; M706-I754 HydrophobicContact CE-CG1 3.96Å; M706-L767 HydrophobicContact CE-CB 4.3Å; M706-L767 HydrophobicContact CE-CD1 3.99Å; M706-L767 HydrophobicContact CE-CG 4.34Å; M706-L767 HydrophobicContact SD-CB 3.99Å; M706-L767 HydrophobicContact SD-CD1 4.22Å; M706-L770 HydrophobicContact CB-CD1 4.06Å
707	Q	80.8	Confident	93.5	Very high	97 Å²	97	37 Å²	37	45%	0.453	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	46.6	-174.8	-71.5	-175.1	-9.4	0	0	113.2	Q709 E752 L770	Q707-Q709 PolarHBondContact O-N 3.5Å; Q707-Q709 VanDerWaalsContact O-N 3.11Å; Q707-E752 WeakPolarHBondContact CA-OE2 3.35Å; Q707-E752 PolarHBondContact N-OE2 2.94Å; Q707-L770 HydrophobicContact CB-CD1 4.46Å; Q707-L770 HydrophobicContact CG-CD1 3.73Å
708	G	82.7	Confident	93.2	Very high	32 Å²	32	35 Å²	35	33%	0.33	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	-8.1	179.7	0	0	0	0	0	115.2	R705 M706 E752	R705-G708 PolarHBondContact NE-O 3.3Å; R705-G708 VanDerWaalsContact NE-O 3.1Å; R705-G708 PolarHBondContact NH2-O 3.14Å; M706-G708 VanDerWaalsContact C-N 3.27Å; M706-G708 PolarHBondContact O-N 2.82Å; G708-E752 PolarHBondContact N-OE1 2.86Å
709	Q	86.5	Confident	93	Very high	54 Å²	54	32.4 Å²	32.4	25%	0.252	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	159.4	-179.5	-56.6	-162.1	4.1	0	0	112.6	G647 R705 M706 Q707	G647-Q709 PolarHBondContact O-NE2 3.33Å; R705-Q709 CarbonylContact C-O 3.45Å; R705-Q709 WeakPolarHBondContact CA-O 3.44Å; R705-Q709 WeakPolarHBondContact CG-O 3.47Å; M706-Q709 PolarHBondContact N-O 2.95Å; M706-Q709 PolarHBondContact O-N 2.85Å; Q707-Q709 PolarHBondContact O-N 3.5Å; Q707-Q709 VanDerWaalsContact O-N 3.11Å
710	E	92.3	Very high	92.9	Very high	34 Å²	34	33.5 Å²	33.5	16%	0.159	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	144.3	169.7	-58.3	-168.8	165.7	0	0	110.9	N594 V643 E644 M645 R703	N594-E710 PolarHBondContact ND2-OE1 3Å; V643-E710 WeakPolarHBondContact CA-OE2 3.16Å; V643-E710 HydrophobicContact CB-CB 4.42Å; V643-E710 WeakPolarHBondContact CB-OE2 3.38Å; E644-E710 PolarHBondContact N-OE2 2.82Å; E644-E710 WeakPolarHBondContact O-CB 3.3Å; M645-E710 VanDerWaalsContact CG-O 3.25Å; M645-E710 WeakPolarHBondContact CG-O 3.16Å; R703-E710 IonicContact NE-OE2 3.6Å
711	A	94.6	Very high	92.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	166.2	173.6	0	0	0	0	0	109.5	V704 M706 L721 S722	V704-A711 HydrophobicContact CG2-CB 3.93Å; V704-A711 PolarHBondContact N-O 3.32Å; V704-A711 PolarHBondContact O-N 2.89Å; V704-A711 VanDerWaalsContact O-O 3.1Å; M706-A711 HydrophobicContact CB-CB 4.09Å; M706-A711 HydrophobicContact CG-CB 3.96Å; A711-L721 HydrophobicContact CB-CD1 4.11Å; A711-S722 CarbonylContact C-O 3.59Å; A711-S722 WeakPolarHBondContact CA-O 3.28Å; A711-S722 WeakPolarHBondContact CB-O 3.44Å
712	V	96.9	Very high	92.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119.3	179.5	179.9	0	0	0	0	109.6	C641 V643 M645 L701 F702 S722	C641-V712 HydrophobicContact CB-CG1 4.47Å; V643-V712 HydrophobicContact CB-CG2 4.19Å; V643-V712 HydrophobicContact CG1-CG2 3.57Å; V643-V712 HydrophobicContact CG2-CG2 3.64Å; M645-V712 HydrophobicContact CE-CG2 4.12Å; L701-V712 HydrophobicContact CB-CG1 4.25Å; L701-V712 HydrophobicContact CD2-CG1 3.71Å; F702-V712 WeakPolarHBondContact O-CA 3.41Å; V712-S722 PolarHBondContact N-O 2.87Å; V712-S722 WeakPolarHBondContact O-CB 3.37Å; V712-S722 PolarHBondContact O-N 3.07Å
713	L	97.5	Very high	92.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	115.6	167.4	-177.7	66.6	0	0	0	108.5	L701 F702 V704 M715 W720 L734 A742 I754	L701-L713 WeakPolarHBondContact CA-O 3.44Å; F702-L713 HydrophobicContact CB-CB 4.33Å; F702-L713 PolarHBondContact N-O 2.99Å; F702-L713 PolarHBondContact O-N 2.82Å; V704-L713 HydrophobicContact CG1-CB 4.1Å; V704-L713 HydrophobicContact CG2-CB 4.31Å; L713-M715 HydrophobicContact CD2-CE 3.4Å; L713-M715 HydrophobicContact CG-CE 3.97Å; L713-M715 HydrophobicContact CG-CG 4.41Å; L713-W720 CarbonylContact C-O 3.53Å; L713-W720 WeakPolarHBondContact CA-O 3.44Å; L713-L734 HydrophobicContact CD1-CD1 3.72Å; L713-A742 HydrophobicContact CD2-CB 3.68Å; L713-I754 HydrophobicContact CD2-CD1 4.17Å; L713-I754 HydrophobicContact CD2-CG2 3.8Å
714	A	97.6	Very high	91.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.8	179.5	0	0	0	0	0	110.4	L674 L694 V699 K700 L701 S719 W720	L674-A714 HydrophobicContact CD2-CB 4.32Å; L694-A714 HydrophobicContact CD1-CB 3.56Å; V699-A714 HydrophobicContact CG1-CB 4.24Å; K700-A714 CarbonylContact O-C 2.99Å; K700-A714 WeakPolarHBondContact O-CA 3.35Å; L701-A714 HydrophobicContact CD2-CB 3.54Å; A714-S719 CarbonylContact O-C 3.52Å; A714-W720 HydrophobicContact CB-CB 4.36Å; A714-W720 PolarHBondContact N-O 3.03Å; A714-W720 PolarHBondContact O-N 2.94Å
715	M	96.3	Very high	91.1	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.02	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.5	-177.7	-62	-176.9	174.6	0	0	111.5	V699 K700 F702 L713 L739 A742	V699-M715 CarbonylContact C-O 3.59Å; V699-M715 WeakPolarHBondContact CA-O 3.47Å; K700-M715 HydrophobicContact CB-CB 4.45Å; K700-M715 PolarHBondContact N-O 3.29Å; K700-M715 PolarHBondContact O-N 3.17Å; F702-M715 HydrophobicContact CD2-CE 4.2Å; F702-M715 HydrophobicContact CD2-CG 4.21Å; F702-M715 HydrophobicContact CD2-SD 4.05Å; F702-M715 HydrophobicContact CE2-CB 4.31Å; F702-M715 HydrophobicContact CE2-CE 4.15Å; F702-M715 HydrophobicContact CE2-CG 3.88Å; F702-M715 HydrophobicContact CE2-SD 3.46Å; F702-M715 WeakPolarHBondContact CE2-SD 3.43Å; F702-M715 HydrophobicContact CZ-SD 4.32Å; L713-M715 HydrophobicContact CD2-CE 3.4Å; L713-M715 HydrophobicContact CG-CE 3.97Å; L713-M715 HydrophobicContact CG-CG 4.41Å; M715-L739 HydrophobicContact CE-CB 3.39Å; M715-L739 HydrophobicContact CE-CD1 3.61Å; M715-L739 HydrophobicContact CE-CG 4.15Å; M715-L739 HydrophobicContact CG-CB 4.35Å; M715-L739 HydrophobicContact SD-CB 3.53Å; M715-L739 VanDerWaalsContact SD-CB 3.53Å; M715-A742 HydrophobicContact CE-CB 3.28Å
716	S	94.8	Very high	90.3	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.028	12%	0.12	C	C	.	.	S	Bend	trans	-135.4	-136.6	170.5	-180	0	0	0	0	108.6	G695 R697 R718 T738	G695-S716 VanDerWaalsContact C-OG 3.23Å; G695-S716 VanDerWaalsContact CA-OG 3.3Å; G695-S716 WeakPolarHBondContact CA-OG 3.33Å; G695-S716 PolarHBondContact O-OG 2.85Å; R697-S716 PolarHBondContact N-OG 2.96Å; R697-S716 PolarHBondContact O-OG 2.94Å; S716-R718 CarbonylContact C-O 3.59Å; S716-R718 PolarHBondContact N-O 2.89Å; S716-R718 PolarHBondContact O-N 2.63Å; S716-T738 WeakPolarHBondContact O-CG2 3.19Å
717	S	91.1	Very high	89.5	Confident	33 Å²	33	27.8 Å²	27.8	23%	0.231	15%	0.15	C	C	.	.	S	Bend	trans	-67.2	-24.5	166.7	59.4	0	0	0	0	111.8	G695 S696 T738	G695-S717 WeakPolarHBondContact CA-OG 3.31Å; S696-S717 PolarHBondContact N-OG 2.87Å; S696-S717 VanDerWaalsContact N-OG 3.08Å; S717-T738 PolarHBondContact O-OG1 2.67Å
718	R	89.2	Confident	89.3	Confident	85 Å²	85	26 Å²	26	32%	0.321	14%	0.139	S	C	.	.	S	Bend	trans	-119.9	150.7	165.6	-65.8	-176.8	179.9	-160.2	0.4	109.1	E418 T420 S716	E418-R718 PolarHBondContact O-NH2 3.23Å; T420-R718 VanDerWaalsContact CG2-NH1 3.32Å; T420-R718 PolarHBondContact OG1-NH1 3.33Å; T420-R718 PolarHBondContact OG1-NH2 2.84Å; S716-R718 CarbonylContact C-O 3.59Å; S716-R718 PolarHBondContact N-O 2.89Å; S716-R718 PolarHBondContact O-N 2.63Å
719	S	94.2	Very high	89.2	Confident	1 Å²	1	26 Å²	26	1%	0.007	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	140.5	172.9	-58.2	0	0	0	0	109.5	A714 P733 L734	A714-S719 CarbonylContact O-C 3.52Å; S719-P733 CarbonylContact O-C 3.59Å; S719-P733 WeakPolarHBondContact O-CA 3.44Å; S719-L734 PolarHBondContact O-N 2.81Å
720	W	94.5	Very high	89.2	Confident	23 Å²	23	25 Å²	25	9%	0.087	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.5	-176.5	-65.7	75.5	0	0	0	110.2	L694 L713 A714 L731 T732 P733	L694-W720 HydrophobicContact CB-CG 4.49Å; L694-W720 HydrophobicContact CD1-CB 4.48Å; L694-W720 HydrophobicContact CD1-CG 4.34Å; L694-W720 HydrophobicContact CD2-CD2 3.95Å; L694-W720 HydrophobicContact CD2-CE3 4.4Å; L694-W720 HydrophobicContact CD2-CG 4.06Å; L694-W720 PolarHBondContact O-NE1 3.49Å; L713-W720 CarbonylContact C-O 3.53Å; L713-W720 WeakPolarHBondContact CA-O 3.44Å; A714-W720 HydrophobicContact CB-CB 4.36Å; A714-W720 PolarHBondContact N-O 3.03Å; A714-W720 PolarHBondContact O-N 2.94Å; W720-L731 HydrophobicContact CB-CD1 4.01Å; W720-L731 HydrophobicContact CE3-CD1 4.37Å; W720-L731 HydrophobicContact CE3-CG 3.9Å; W720-L731 HydrophobicContact CZ3-CG 4.48Å; W720-T732 CarbonylContact C-O 3.51Å; W720-T732 WeakPolarHBondContact CA-O 3.34Å; W720-T732 VanDerWaalsContact CE3-C 3.5Å; W720-P733 HydrophobicContact CD2-CB 3.86Å; W720-P733 HydrophobicContact CE3-CB 3.93Å; W720-P733 HydrophobicContact CE3-CG 4.26Å; W720-P733 VanDerWaalsContact CE3-N 3.26Å; W720-P733 HydrophobicContact CG-CB 4.5Å; W720-P733 HydrophobicContact CH2-CB 4.12Å; W720-P733 HydrophobicContact CH2-CG 4.08Å; W720-P733 HydrophobicContact CZ2-CB 4.05Å; W720-P733 HydrophobicContact CZ2-CG 4.46Å; W720-P733 HydrophobicContact CZ3-CB 4.08Å; W720-P733 VanDerWaalsContact CZ3-CD 3.42Å; W720-P733 HydrophobicContact CZ3-CG 3.99Å
721	L	95	Very high	89.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.5	171.5	-174.6	72.5	0	0	0	109.9	L442 V704 M706 A711 Y723 L731 T732 L734 L767 L770	L442-L721 HydrophobicContact CD1-CB 4.1Å; L442-L721 HydrophobicContact CD1-CD2 3.85Å; V704-L721 HydrophobicContact CG2-CD1 3.89Å; M706-L721 HydrophobicContact CG-CD1 4.35Å; M706-L721 HydrophobicContact CG-CD2 4.1Å; M706-L721 HydrophobicContact SD-CD2 4.43Å; A711-L721 HydrophobicContact CB-CD1 4.11Å; L721-Y723 HydrophobicContact CB-CD1 4.25Å; L721-Y723 HydrophobicContact CD2-CD1 3.6Å; L721-Y723 HydrophobicContact CD2-CE1 4.13Å; L721-Y723 HydrophobicContact CD2-CG 4Å; L721-Y723 HydrophobicContact CG-CD1 3.72Å; L721-Y723 HydrophobicContact CG-CE1 4.47Å; L721-Y723 HydrophobicContact CG-CG 4.32Å; L721-L731 WeakPolarHBondContact O-CA 3.48Å; L721-T732 PolarHBondContact N-O 3.37Å; L721-T732 PolarHBondContact O-N 2.92Å; L721-L734 HydrophobicContact CB-CD2 4.1Å; L721-L767 HydrophobicContact CD1-CD1 4.39Å; L721-L767 HydrophobicContact CD2-CD1 3.76Å; L721-L767 HydrophobicContact CG-CD1 4.47Å; L721-L770 HydrophobicContact CD2-CD2 3.91Å
722	S	94	Very high	89	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.5	170.7	147.4	0	0	0	0	109	A711 V712 F729 H730	A711-S722 CarbonylContact C-O 3.59Å; A711-S722 WeakPolarHBondContact CA-O 3.28Å; A711-S722 WeakPolarHBondContact CB-O 3.44Å; V712-S722 PolarHBondContact N-O 2.87Å; V712-S722 WeakPolarHBondContact O-CB 3.37Å; V712-S722 PolarHBondContact O-N 3.07Å; S722-F729 WeakPolarHBondContact OG-CE2 2.87Å; S722-F729 WeakPolarHBondContact OG-CZ 3.3Å; S722-H730 CarbonylContact C-O 3.57Å; S722-H730 VanDerWaalsContact CA-O 3.25Å; S722-H730 WeakPolarHBondContact CA-O 3.41Å
723	Y	91.9	Very high	88.7	Confident	4 Å²	4	25.2 Å²	25.2	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	163.2	-173.6	64.9	-74.3	0	0	0	112.2	L442 L721 Y725 H730 L770 G771	L442-Y723 HydrophobicContact CD1-CE1 4.02Å; L721-Y723 HydrophobicContact CB-CD1 4.25Å; L721-Y723 HydrophobicContact CD2-CD1 3.6Å; L721-Y723 HydrophobicContact CD2-CE1 4.13Å; L721-Y723 HydrophobicContact CD2-CG 4Å; L721-Y723 HydrophobicContact CG-CD1 3.72Å; L721-Y723 HydrophobicContact CG-CE1 4.47Å; L721-Y723 HydrophobicContact CG-CG 4.32Å; Y723-Y725 HydrophobicContact CE2-CG 4.23Å; Y723-H730 HydrophobicContact CD1-CB 3.92Å; Y723-H730 HydrophobicContact CD2-CB 4.42Å; Y723-H730 HydrophobicContact CE1-CB 3.47Å; Y723-H730 VanDerWaalsContact CE1-CB 3.47Å; Y723-H730 HydrophobicContact CE2-CB 4.02Å; Y723-H730 HydrophobicContact CG-CB 4.38Å; Y723-H730 PolarHBondContact N-O 2.56Å; Y723-H730 PolarHBondContact O-N 3.46Å; Y723-L770 HydrophobicContact CD2-CD1 4.25Å; Y723-L770 HydrophobicContact CD2-CD2 4.37Å; Y723-L770 HydrophobicContact CE2-CB 3.93Å; Y723-L770 HydrophobicContact CE2-CD1 4.43Å; Y723-L770 HydrophobicContact CE2-CD2 4.14Å; Y723-L770 HydrophobicContact CE2-CG 4.4Å; Y723-G771 PolarHBondContact OH-N 2.8Å; Y723-G771 VanDerWaalsContact OH-N 3.1Å
724	S	84.7	Confident	88.5	Confident	20 Å²	20	25.6 Å²	25.6	14%	0.14	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.8	171.5	178.6	0	0	0	0	109.7	R728	S724-R728 CarbonylContact C-O 3.57Å; S724-R728 VanDerWaalsContact CA-O 3.32Å; S724-R728 WeakPolarHBondContact CA-O 3.35Å
725	Y	80.2	Confident	88	Confident	35 Å²	35	27.1 Å²	27.1	14%	0.137	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	131.1	177.9	-178	-102.1	0	0	0	110	Y723 S727 R728 L770	Y723-Y725 HydrophobicContact CE2-CG 4.23Å; Y725-S727 VanDerWaalsContact C-N 3.26Å; Y725-S727 PolarHBondContact O-N 2.81Å; Y725-R728 PolarHBondContact N-O 2.8Å; Y725-R728 PolarHBondContact O-N 2.83Å; Y725-L770 HydrophobicContact CD2-CB 4.17Å; Y725-L770 HydrophobicContact CE2-CB 4.38Å
726	Q	74.3	Confident	87.7	Confident	61 Å²	61	29.6 Å²	29.6	29%	0.285	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	45.7	-175.5	-63.9	-177.3	-1.3	0	0	113.5	R728	Q726-R728 PolarHBondContact O-N 3.07Å
727	S	70.5	Confident	87.3	Confident	97 Å²	97	33 Å²	33	68%	0.678	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	19.9	-178	-46.2	0	0	0	0	115	Y725	Y725-S727 VanDerWaalsContact C-N 3.26Å; Y725-S727 PolarHBondContact O-N 2.81Å
728	R	75.7	Confident	87.3	Confident	58 Å²	58	33.6 Å²	33.6	22%	0.219	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	148.3	176.5	-63.8	-176.1	-177.2	-151.6	-0.9	111	S724 Y725 Q726 H730 E1180	S724-R728 CarbonylContact C-O 3.57Å; S724-R728 VanDerWaalsContact CA-O 3.32Å; S724-R728 WeakPolarHBondContact CA-O 3.35Å; Y725-R728 PolarHBondContact N-O 2.8Å; Y725-R728 PolarHBondContact O-N 2.83Å; Q726-R728 PolarHBondContact O-N 3.07Å; R728-H730 PolarHBondContact O-CD2 2.79Å; R728-E1180 IonicContact CZ-OE2 3.24Å; R728-E1180 IonicContact NH1-OE2 3.01Å; R728-E1180 PolarHBondContact NH1-OE2 3.46Å; R728-E1180 PolarHBondContact NH2-O 2.92Å
729	F	82	Confident	87.5	Confident	34 Å²	34	29.8 Å²	29.8	15%	0.149	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	131.9	171.3	-171.7	-83.1	0	0	0	110.9	M645 R676 S722 L731	M645-F729 HydrophobicContact CE-CE2 3.69Å; M645-F729 HydrophobicContact CE-CZ 4.47Å; M645-F729 HydrophobicContact SD-CD2 4.28Å; M645-F729 HydrophobicContact SD-CE2 3.76Å; R676-F729 VanDerWaalsContact CD-CE2 3.5Å; S722-F729 WeakPolarHBondContact OG-CE2 2.87Å; S722-F729 WeakPolarHBondContact OG-CZ 3.3Å; F729-L731 HydrophobicContact CE1-CB 4.1Å
730	H	86.7	Confident	87.5	Confident	31 Å²	31	32.9 Å²	32.9	14%	0.144	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.6	176.4	-70.3	-95.2	0	0	0	109.9	S722 Y723 R728	S722-H730 CarbonylContact C-O 3.57Å; S722-H730 VanDerWaalsContact CA-O 3.25Å; S722-H730 WeakPolarHBondContact CA-O 3.41Å; Y723-H730 HydrophobicContact CD1-CB 3.92Å; Y723-H730 HydrophobicContact CD2-CB 4.42Å; Y723-H730 HydrophobicContact CE1-CB 3.47Å; Y723-H730 VanDerWaalsContact CE1-CB 3.47Å; Y723-H730 HydrophobicContact CE2-CB 4.02Å; Y723-H730 HydrophobicContact CG-CB 4.38Å; Y723-H730 PolarHBondContact N-O 2.56Å; Y723-H730 PolarHBondContact O-N 3.46Å; R728-H730 PolarHBondContact O-CD2 2.79Å
731	L	90.6	Very high	87.6	Confident	26 Å²	26	33.6 Å²	33.6	14%	0.136	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	102.4	165.8	177.3	68.3	0	0	0	106.5	L674 R692 L694 W720 L721 F729	L674-L731 HydrophobicContact CD2-CD1 4.13Å; L674-L731 HydrophobicContact CD2-CD2 4.24Å; R692-L731 HydrophobicContact CB-CD2 3.82Å; R692-L731 HydrophobicContact CG-CD2 3.71Å; L694-L731 HydrophobicContact CD2-CD2 3.92Å; W720-L731 HydrophobicContact CB-CD1 4.01Å; W720-L731 HydrophobicContact CE3-CD1 4.37Å; W720-L731 HydrophobicContact CE3-CG 3.9Å; W720-L731 HydrophobicContact CZ3-CG 4.48Å; L721-L731 WeakPolarHBondContact O-CA 3.48Å; F729-L731 HydrophobicContact CE1-CB 4.1Å
732	T	90.5	Very high	87.7	Confident	11 Å²	11	33.7 Å²	33.7	7%	0.067	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.6	-169.7	-51	0	0	0	0	109.3	L442 W720 L721	L442-T732 HydrophobicContact CD1-CG2 4.45Å; L442-T732 HydrophobicContact CD2-CG2 4.15Å; L442-T732 HydrophobicContact CG-CG2 3.72Å; W720-T732 CarbonylContact C-O 3.51Å; W720-T732 WeakPolarHBondContact CA-O 3.34Å; W720-T732 VanDerWaalsContact CE3-C 3.5Å; L721-T732 PolarHBondContact N-O 3.37Å; L721-T732 PolarHBondContact O-N 2.92Å
733	P	91.7	Very high	87.8	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.013	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	154.2	175.7	27.6	-28.8	0	0	0	109.6	H440 G441 L442 S719 W720	H440-P733 VanDerWaalsContact CE1-CD 3.45Å; H440-P733 WeakPolarHBondContact CE1-CD 3.38Å; H440-P733 WeakPolarHBondContact NE2-CD 3.3Å; G441-P733 CarbonylContact C-O 3.57Å; G441-P733 WeakPolarHBondContact CA-O 3.46Å; L442-P733 PolarHBondContact N-O 3.11Å; S719-P733 CarbonylContact O-C 3.59Å; S719-P733 WeakPolarHBondContact O-CA 3.44Å; W720-P733 HydrophobicContact CD2-CB 3.86Å; W720-P733 HydrophobicContact CE3-CB 3.93Å; W720-P733 HydrophobicContact CE3-CG 4.26Å; W720-P733 VanDerWaalsContact CE3-N 3.26Å; W720-P733 HydrophobicContact CG-CB 4.5Å; W720-P733 HydrophobicContact CH2-CB 4.12Å; W720-P733 HydrophobicContact CH2-CG 4.08Å; W720-P733 HydrophobicContact CZ2-CB 4.05Å; W720-P733 HydrophobicContact CZ2-CG 4.46Å; W720-P733 HydrophobicContact CZ3-CB 4.08Å; W720-P733 VanDerWaalsContact CZ3-CD 3.42Å; W720-P733 HydrophobicContact CZ3-CG 3.99Å
734	L	92.1	Very high	88	Confident	9 Å²	9	35.2 Å²	35.2	5%	0.047	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-89.4	130.9	169.3	-58.5	-171.6	0	0	0	108.4	L442 V444 L713 S719 L721 Y736 L767	L442-L734 HydrophobicContact CB-CD2 3.93Å; L442-L734 HydrophobicContact CD1-CD2 3.99Å; L442-L734 HydrophobicContact CG-CD2 4.47Å; V444-L734 HydrophobicContact CG2-CB 3.88Å; V444-L734 HydrophobicContact CG2-CD1 4.41Å; V444-L734 HydrophobicContact CG2-CD2 4.34Å; V444-L734 HydrophobicContact CG2-CG 4.43Å; L713-L734 HydrophobicContact CD1-CD1 3.72Å; S719-L734 PolarHBondContact O-N 2.81Å; L721-L734 HydrophobicContact CB-CD2 4.1Å; L734-Y736 PolarHBondContact O-N 2.86Å; L734-L767 HydrophobicContact CD2-CD1 4.03Å; L734-L767 HydrophobicContact CD2-CD2 4Å
735	S	88.2	Confident	88.4	Confident	32 Å²	32	34.8 Å²	34.8	22%	0.224	18%	0.182	C	C	.	.	S	Bend	trans	-77.8	68.5	172.7	-65.5	0	0	0	0	109.7	G441 L442 N775	G441-S735 PolarHBondContact O-OG 3.06Å; L442-S735 WeakPolarHBondContact O-CB 3.27Å; L442-S735 PolarHBondContact O-N 3.2Å; S735-N775 VanDerWaalsContact CB-ND2 3.33Å; S735-N775 WeakPolarHBondContact CB-ND2 3.18Å; S735-N775 WeakPolarHBondContact OG-CB 3.4Å
736	Y	89.5	Confident	89.1	Confident	55 Å²	55	34 Å²	34	22%	0.216	18%	0.183	C	C	.	.	S	Bend	trans	-152.5	167.3	-172.1	-160.1	-105.8	0	0	0	111.2	V444 E446 L734 L739 R763 L765	V444-Y736 HydrophobicContact CB-CD2 3.88Å; V444-Y736 HydrophobicContact CB-CG 4.19Å; V444-Y736 HydrophobicContact CG1-CD2 3.91Å; V444-Y736 HydrophobicContact CG1-CE2 4.31Å; V444-Y736 HydrophobicContact CG1-CG 4.14Å; V444-Y736 HydrophobicContact CG2-CD2 4.46Å; V444-Y736 HydrophobicContact CG2-CG 4.32Å; E446-Y736 PolarHBondContact OE2-OH 3.31Å; L734-Y736 PolarHBondContact O-N 2.86Å; Y736-L739 HydrophobicContact CD1-CD2 4.07Å; Y736-L739 HydrophobicContact CD1-CG 4.4Å; Y736-L739 HydrophobicContact CE1-CD2 3.88Å; Y736-R763 WeakPolarHBondContact OH-CD 3.31Å; Y736-R763 PolarHBondContact OH-NH1 2.54Å; Y736-L765 HydrophobicContact CD1-CD1 4.35Å; Y736-L765 HydrophobicContact CE1-CD1 4.07Å; Y736-L765 HydrophobicContact CE1-CD2 4Å; Y736-L765 HydrophobicContact CE2-CD2 4.21Å
737	E	87.5	Confident	89.9	Confident	77 Å²	77	31.9 Å²	31.9	36%	0.36	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-64.4	163.4	176.1	60	170.1	-134.3	0	0	112.7	L739 S758 R763	E737-L739 PolarHBondContact O-N 2.95Å; E737-S758 WeakPolarHBondContact OE1-CB 3.21Å; E737-S758 PolarHBondContact OE1-OG 2.71Å; E737-R763 IonicContact OE1-CZ 3.75Å; E737-R763 IonicContact OE1-NE 3.74Å; E737-R763 PolarHBondContact OE1-NE 2.75Å; E737-R763 IonicContact OE1-NH1 2.74Å; E737-R763 IonicContact OE1-NH2 3.64Å; E737-R763 PolarHBondContact OE1-NH2 2.87Å; E737-R763 IonicContact OE2-CZ 3.43Å; E737-R763 IonicContact OE2-NH2 3.76Å; E737-R763 PolarHBondContact OE2-NH2 2.87Å; E737-R763 VanDerWaalsContact OE2-NH2 3.1Å
738	T	89.8	Confident	90.6	Very high	45 Å²	45	35.2 Å²	35.2	28%	0.276	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-66.6	124.9	-179.9	-50	0	0	0	0	110.8	S716 S717	S716-T738 WeakPolarHBondContact O-CG2 3.19Å; S717-T738 PolarHBondContact O-OG1 2.67Å
739	L	94.4	Very high	91	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-97.6	150.6	176.6	-58.7	175.5	0	0	0	110.9	M715 Y736 E737 A756 L765	M715-L739 HydrophobicContact CE-CB 3.39Å; M715-L739 HydrophobicContact CE-CD1 3.61Å; M715-L739 HydrophobicContact CE-CG 4.15Å; M715-L739 HydrophobicContact CG-CB 4.35Å; M715-L739 HydrophobicContact SD-CB 3.53Å; M715-L739 VanDerWaalsContact SD-CB 3.53Å; Y736-L739 HydrophobicContact CD1-CD2 4.07Å; Y736-L739 HydrophobicContact CD1-CG 4.4Å; Y736-L739 HydrophobicContact CE1-CD2 3.88Å; E737-L739 PolarHBondContact O-N 2.95Å; L739-A756 HydrophobicContact CD1-CB 3.92Å; L739-A756 HydrophobicContact CD2-CB 3.9Å; L739-A756 HydrophobicContact CG-CB 4.37Å; L739-L765 HydrophobicContact CD1-CD1 3.86Å; L739-L765 HydrophobicContact CD2-CD1 4.43Å
740	E	94.3	Very high	91.2	Very high	67 Å²	67	38.2 Å²	38.2	31%	0.313	20%	0.197	S	C	.	.	S	Bend	trans	-106	-32.6	-175	-63.9	-176.3	-178.3	0	0	113.8	K700 I757 T759	K700-E740 WeakPolarHBondContact CD-O 3.5Å; K700-E740 PolarHBondContact NZ-O 2.61Å; E740-I757 HydrophobicContact CB-CG2 4.34Å; E740-I757 PolarHBondContact N-O 2.81Å; E740-T759 PolarHBondContact OE1-N 2.66Å
741	F	96.7	Very high	91.2	Very high	37 Å²	37	40.9 Å²	40.9	16%	0.162	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	154.4	175.9	-153.7	-82.7	0	0	0	109.9	N457 A458 V459 W460 F702 A756 I757	N457-F741 WeakPolarHBondContact O-CD2 3.33Å; A458-F741 HydrophobicContact CB-CD1 4.04Å; A458-F741 HydrophobicContact CB-CD2 3.88Å; A458-F741 HydrophobicContact CB-CE1 3.83Å; A458-F741 HydrophobicContact CB-CE2 3.66Å; A458-F741 HydrophobicContact CB-CG 4.07Å; A458-F741 HydrophobicContact CB-CZ 3.63Å; V459-F741 HydrophobicContact CG1-CD1 4.09Å; V459-F741 VanDerWaalsContact N-CD1 3.29Å; V459-F741 WeakPolarHBondContact O-CD1 3.33Å; V459-F741 VanDerWaalsContact O-CE1 3.25Å; V459-F741 WeakPolarHBondContact O-CE1 3.33Å; W460-F741 HydrophobicContact CZ2-CE1 4.28Å; W460-F741 AromaticContact CZ2-CZ 3.9Å; W460-F741 HydrophobicContact CZ2-CZ 3.9Å; F702-F741 HydrophobicContact CD1-CD1 4.33Å; F702-F741 HydrophobicContact CD1-CE1 4.13Å; F702-F741 HydrophobicContact CD1-CZ 4.42Å; F702-F741 AromaticContact CE1-CD1 3.59Å; F702-F741 HydrophobicContact CE1-CD1 3.59Å; F702-F741 AromaticContact CE1-CD2 3.76Å; F702-F741 HydrophobicContact CE1-CD2 3.76Å; F702-F741 AromaticContact CE1-CE1 3.53Å; F702-F741 HydrophobicContact CE1-CE1 3.53Å; F702-F741 AromaticContact CE1-CE2 3.71Å; F702-F741 HydrophobicContact CE1-CE2 3.71Å; F702-F741 AromaticContact CE1-CG 3.7Å; F702-F741 HydrophobicContact CE1-CG 3.7Å; F702-F741 AromaticContact CE1-CZ 3.6Å; F702-F741 HydrophobicContact CE1-CZ 3.6Å; F702-F741 HydrophobicContact CZ-CB 4.32Å; F702-F741 HydrophobicContact CZ-CD1 4.15Å; F702-F741 AromaticContact CZ-CD2 3.84Å; F702-F741 HydrophobicContact CZ-CD2 3.84Å; F702-F741 HydrophobicContact CZ-CE1 4.46Å; F702-F741 HydrophobicContact CZ-CE2 4.19Å; F702-F741 AromaticContact CZ-CG 3.82Å; F702-F741 HydrophobicContact CZ-CG 3.82Å; F702-F741 HydrophobicContact CZ-CZ 4.49Å; F741-A756 CarbonylContact O-C 3.6Å; F741-A756 VanDerWaalsContact O-CA 3.31Å; F741-A756 WeakPolarHBondContact O-CA 3.17Å; F741-I757 HydrophobicContact CB-CD1 4.28Å; F741-I757 PolarHBondContact O-N 2.8Å
742	A	97	Very high	91.2	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.017	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	169.7	172	0	0	0	0	0	114.2	F702 L713 M715 I754 V755 A756	F702-A742 WeakPolarHBondContact CD1-O 3.37Å; F702-A742 HydrophobicContact CD2-CB 4.44Å; F702-A742 HydrophobicContact CG-CB 4.49Å; F702-A742 WeakPolarHBondContact CG-O 3.28Å; L713-A742 HydrophobicContact CD2-CB 3.68Å; M715-A742 HydrophobicContact CE-CB 3.28Å; A742-I754 HydrophobicContact CB-CG2 3.76Å; A742-V755 CarbonylContact C-O 3.55Å; A742-V755 WeakPolarHBondContact CA-O 3.38Å; A742-V755 VanDerWaalsContact CB-O 3.24Å; A742-V755 WeakPolarHBondContact CB-O 3.46Å; A742-A756 HydrophobicContact CB-CB 4Å
743	S	96.4	Very high	91.3	Very high	20 Å²	20	42.5 Å²	42.5	14%	0.14	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	156	168.3	-179.7	0	0	0	0	109.3	T461 I754 V755	T461-S743 PolarHBondContact N-OG 2.79Å; S743-I754 WeakPolarHBondContact O-CA 3.29Å; S743-V755 PolarHBondContact N-O 2.83Å; S743-V755 PolarHBondContact O-N 2.97Å
744	G	94.8	Very high	91.6	Very high	16 Å²	16	42.4 Å²	42.4	17%	0.165	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	152.5	162	0	0	0	0	0	110	T461	T461-G744 VanDerWaalsContact CG2-O 3.24Å; T461-G744 WeakPolarHBondContact CG2-O 3.34Å; T461-G744 PolarHBondContact OG1-O 2.85Å
745	F	94.5	Very high	91.8	Very high	12 Å²	12	42 Å²	42	5%	0.053	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	132	-179.2	172.3	-96.3	0	0	0	109.1	T461 D471 I474 I487 S747 C750 G753 V755 I764	T461-F745 HydrophobicContact CG2-CB 4.21Å; T461-F745 HydrophobicContact CG2-CD2 3.89Å; D471-F745 WeakPolarHBondContact OD2-CA 3.44Å; I474-F745 HydrophobicContact CD1-CE2 4.16Å; I487-F745 HydrophobicContact CD1-CD2 4.27Å; I487-F745 HydrophobicContact CD1-CE2 3.77Å; I487-F745 HydrophobicContact CG1-CE2 4.22Å; I487-F745 HydrophobicContact CG2-CE2 4.23Å; I487-F745 HydrophobicContact CG2-CZ 4.3Å; F745-S747 WeakPolarHBondContact CE1-OG 3.42Å; F745-C750 HydrophobicContact CD1-CB 4.33Å; F745-C750 HydrophobicContact CE1-CB 4.08Å; F745-G753 PolarHBondContact N-O 2.9Å; F745-G753 CarbonylContact O-C 3.56Å; F745-G753 VanDerWaalsContact O-CA 3.29Å; F745-G753 WeakPolarHBondContact O-CA 3.37Å; F745-G753 PolarHBondContact O-N 2.85Å; F745-V755 HydrophobicContact CB-CB 4.14Å; F745-V755 HydrophobicContact CB-CG1 4.42Å; F745-V755 HydrophobicContact CD2-CB 4.37Å; F745-V755 HydrophobicContact CG-CB 4.49Å; F745-I764 HydrophobicContact CD1-CG2 3.68Å; F745-I764 HydrophobicContact CE1-CD1 4.16Å; F745-I764 HydrophobicContact CE1-CG2 3.61Å; F745-I764 HydrophobicContact CE2-CD1 4.13Å; F745-I764 HydrophobicContact CG-CG2 4.41Å; F745-I764 HydrophobicContact CZ-CD1 3.78Å; F745-I764 HydrophobicContact CZ-CG2 4.31Å
746	A	93.1	Very high	92.2	Very high	19 Å²	19	40.4 Å²	40.4	16%	0.157	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.2	174.4	0	0	0	0	0	110.4	D471 P751	D471-A746 PolarHBondContact N-O 2.87Å; D471-A746 PolarHBondContact OD2-N 3.1Å; A746-P751 WeakPolarHBondContact CB-O 3.49Å
747	S	91.2	Very high	92.5	Very high	15 Å²	15	37.9 Å²	37.9	11%	0.105	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	168.7	170.1	75.5	0	0	0	0	110.6	F470 F745 Q749 C750 P751	F470-S747 VanDerWaalsContact CE1-C 3.4Å; F470-S747 WeakPolarHBondContact CE1-O 3.34Å; F745-S747 WeakPolarHBondContact CE1-OG 3.42Å; S747-Q749 PolarHBondContact O-N 2.92Å; S747-C750 PolarHBondContact N-O 2.77Å; S747-C750 CarbonylContact O-C 3.52Å; S747-C750 PolarHBondContact O-N 2.94Å; S747-C750 PolarHBondContact OG-N 3.42Å; S747-P751 WeakPolarHBondContact O-CA 3.47Å; S747-P751 VanDerWaalsContact O-N 3.12Å
748	E	86.5	Confident	92.8	Very high	167 Å²	167	34.6 Å²	34.6	78%	0.78	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-36.1	178.1	-172.1	177.3	-180	0	0	112.6	F470	F470-E748 HydrophobicContact CE2-CB 4.11Å; F470-E748 HydrophobicContact CZ-CB 4.09Å; F470-E748 HydrophobicContact CZ-CG 4.49Å
749	Q	82.7	Confident	92.9	Very high	148 Å²	148	35.7 Å²	35.7	69%	0.692	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-20.3	179.1	-63.5	172.1	-2	0	0	113.3	S747	S747-Q749 PolarHBondContact O-N 2.92Å
750	C	86.9	Confident	92.9	Very high	7 Å²	7	38.3 Å²	38.3	5%	0.047	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	80.1	-178	-168.3	0	0	0	0	109.4	F745 S747 E752 G753	F745-C750 HydrophobicContact CD1-CB 4.33Å; F745-C750 HydrophobicContact CE1-CB 4.08Å; S747-C750 PolarHBondContact N-O 2.77Å; S747-C750 CarbonylContact O-C 3.52Å; S747-C750 PolarHBondContact O-N 2.94Å; S747-C750 PolarHBondContact OG-N 3.42Å; C750-E752 VanDerWaalsContact C-N 3.26Å; C750-E752 PolarHBondContact O-N 3.31Å; C750-G753 WeakPolarHBondContact SG-CA 3.02Å
751	P	87.4	Confident	93	Very high	88 Å²	88	35.8 Å²	35.8	57%	0.571	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	-31.9	-174.5	-25.3	35.1	0	0	0	113.5	A746 S747	A746-P751 WeakPolarHBondContact CB-O 3.49Å; S747-P751 WeakPolarHBondContact O-CA 3.47Å; S747-P751 VanDerWaalsContact O-N 3.12Å
752	E	89.8	Confident	92.9	Very high	67 Å²	67	34.3 Å²	34.3	31%	0.313	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	83.3	174.7	-66.5	-170.3	158.8	0	0	109.9	Q707 G708 C750	Q707-E752 WeakPolarHBondContact CA-OE2 3.35Å; Q707-E752 PolarHBondContact N-OE2 2.94Å; G708-E752 PolarHBondContact N-OE1 2.86Å; C750-E752 VanDerWaalsContact C-N 3.26Å; C750-E752 PolarHBondContact O-N 3.31Å
753	G	93.5	Very high	92.8	Very high	3 Å²	3	35.8 Å²	35.8	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	178.1	178.6	0	0	0	0	0	113.7	F745 C750 L765	F745-G753 PolarHBondContact N-O 2.9Å; F745-G753 CarbonylContact O-C 3.56Å; F745-G753 VanDerWaalsContact O-CA 3.29Å; F745-G753 WeakPolarHBondContact O-CA 3.37Å; F745-G753 PolarHBondContact O-N 2.85Å; C750-G753 WeakPolarHBondContact SG-CA 3.02Å; G753-L765 CarbonylContact C-O 3.59Å; G753-L765 VanDerWaalsContact CA-O 3.3Å; G753-L765 WeakPolarHBondContact CA-O 3.37Å
754	I	96.4	Very high	92.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.8	173.5	-60.5	165.6	0	0	0	107.1	V704 M706 L713 A742 S743 A756 I764 L765 L767	V704-I754 HydrophobicContact CG1-CG1 4.3Å; M706-I754 HydrophobicContact CE-CD1 3.88Å; M706-I754 HydrophobicContact CE-CG1 3.96Å; L713-I754 HydrophobicContact CD2-CD1 4.17Å; L713-I754 HydrophobicContact CD2-CG2 3.8Å; A742-I754 HydrophobicContact CB-CG2 3.76Å; S743-I754 WeakPolarHBondContact O-CA 3.29Å; I754-A756 HydrophobicContact CG2-CB 4.43Å; I754-I764 WeakPolarHBondContact O-CA 3.17Å; I754-L765 HydrophobicContact CB-CB 4.38Å; I754-L765 PolarHBondContact N-O 3.19Å; I754-L765 PolarHBondContact O-N 3.17Å; I754-L767 HydrophobicContact CD1-CD1 3.65Å; I754-L767 HydrophobicContact CD1-CG 4.14Å
755	V	96.4	Very high	92.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129	164.1	68.5	0	0	0	0	108.5	V459 T461 I474 A742 S743 F745 L762 R763 I764	V459-V755 HydrophobicContact CG1-CG1 4.35Å; V459-V755 HydrophobicContact CG2-CG1 3.92Å; V459-V755 HydrophobicContact CG2-CG2 4.04Å; T461-V755 HydrophobicContact CG2-CB 4.4Å; T461-V755 HydrophobicContact CG2-CG1 3.49Å; T461-V755 VanDerWaalsContact CG2-CG1 3.49Å; I474-V755 HydrophobicContact CD1-CG2 4.37Å; I474-V755 HydrophobicContact CG2-CG2 4.27Å; A742-V755 CarbonylContact C-O 3.55Å; A742-V755 WeakPolarHBondContact CA-O 3.38Å; A742-V755 VanDerWaalsContact CB-O 3.24Å; A742-V755 WeakPolarHBondContact CB-O 3.46Å; S743-V755 PolarHBondContact N-O 2.83Å; S743-V755 PolarHBondContact O-N 2.97Å; F745-V755 HydrophobicContact CB-CB 4.14Å; F745-V755 HydrophobicContact CB-CG1 4.42Å; F745-V755 HydrophobicContact CD2-CB 4.37Å; F745-V755 HydrophobicContact CG-CB 4.49Å; V755-L762 HydrophobicContact CG2-CD1 3.52Å; V755-L762 HydrophobicContact CG2-CG 4.06Å; V755-R763 CarbonylContact C-O 3.59Å; V755-R763 WeakPolarHBondContact CA-O 3.46Å; V755-I764 HydrophobicContact CG2-CG1 4.49Å
756	A	96.9	Very high	92.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	157.7	-175.6	0	0	0	0	0	112.2	L739 F741 A742 I754 R763 L765	L739-A756 HydrophobicContact CD1-CB 3.92Å; L739-A756 HydrophobicContact CD2-CB 3.9Å; L739-A756 HydrophobicContact CG-CB 4.37Å; F741-A756 CarbonylContact O-C 3.6Å; F741-A756 VanDerWaalsContact O-CA 3.31Å; F741-A756 WeakPolarHBondContact O-CA 3.17Å; A742-A756 HydrophobicContact CB-CB 4Å; I754-A756 HydrophobicContact CG2-CB 4.43Å; A756-R763 PolarHBondContact N-O 2.82Å; A756-R763 PolarHBondContact O-N 3.16Å; A756-L765 HydrophobicContact CB-CD1 4.19Å
757	I	95.7	Very high	92.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136	172.2	-71.3	160.7	0	0	0	108.8	P456 A458 V459 E740 F741 T761	P456-I757 HydrophobicContact CB-CD1 3.73Å; P456-I757 HydrophobicContact CB-CG1 4.46Å; P456-I757 HydrophobicContact CG-CB 4.18Å; P456-I757 HydrophobicContact CG-CD1 3.41Å; P456-I757 VanDerWaalsContact CG-CD1 3.41Å; P456-I757 HydrophobicContact CG-CG1 3.63Å; P456-I757 HydrophobicContact CG-CG2 3.45Å; P456-I757 VanDerWaalsContact CG-CG2 3.45Å; A458-I757 VanDerWaalsContact C-CD1 3.43Å; V459-I757 HydrophobicContact CB-CD1 3.58Å; V459-I757 HydrophobicContact CB-CG1 4.05Å; V459-I757 HydrophobicContact CG1-CD1 3.75Å; V459-I757 HydrophobicContact CG1-CG1 3.9Å; E740-I757 HydrophobicContact CB-CG2 4.34Å; E740-I757 PolarHBondContact N-O 2.81Å; F741-I757 HydrophobicContact CB-CD1 4.28Å; F741-I757 PolarHBondContact O-N 2.8Å; I757-T761 WeakPolarHBondContact CA-O 3.38Å
758	S	93.4	Very high	91.8	Very high	8 Å²	8	39.4 Å²	39.4	6%	0.056	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	116.2	165.4	176	0	0	0	0	108.7	E737 N760 T761	E737-S758 WeakPolarHBondContact OE1-CB 3.21Å; E737-S758 PolarHBondContact OE1-OG 2.71Å; S758-N760 PolarHBondContact O-N 3.21Å; S758-N760 VanDerWaalsContact O-N 3.16Å; S758-T761 PolarHBondContact N-O 2.74Å; S758-T761 VanDerWaalsContact N-O 3.07Å; S758-T761 PolarHBondContact O-N 2.88Å; S758-T761 PolarHBondContact O-OG1 2.8Å
759	T	92.8	Very high	91.4	Very high	68 Å²	68	35.8 Å²	35.8	42%	0.417	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	-114.2	-175.9	66.5	0	0	0	0	112.7	P456 E740	P456-T759 WeakPolarHBondContact CD-O 3.48Å; E740-T759 PolarHBondContact OE1-N 2.66Å
760	N	94.3	Very high	91.2	Very high	60 Å²	60	29.6 Å²	29.6	32%	0.321	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	19.8	177	69.9	-48.2	0	0	0	113.2	L452 N455 S758	L452-N760 WeakPolarHBondContact CB-O 3.48Å; L452-N760 PolarHBondContact N-O 3.05Å; N455-N760 WeakPolarHBondContact OD1-CB 3.48Å; S758-N760 PolarHBondContact O-N 3.21Å; S758-N760 VanDerWaalsContact O-N 3.16Å
761	T	95.7	Very high	90.7	Very high	14 Å²	14	30.4 Å²	30.4	9%	0.086	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.7	-177.8	64.9	0	0	0	0	112.2	V449 S450 I757 S758 R763	V449-T761 HydrophobicContact CG1-CG2 4.24Å; S450-T761 CarbonylContact O-C 3.56Å; S450-T761 WeakPolarHBondContact O-CA 3.19Å; I757-T761 WeakPolarHBondContact CA-O 3.38Å; S758-T761 PolarHBondContact N-O 2.74Å; S758-T761 VanDerWaalsContact N-O 3.07Å; S758-T761 PolarHBondContact O-N 2.88Å; S758-T761 PolarHBondContact O-OG1 2.8Å; T761-R763 PolarHBondContact OG1-NE 2.79Å; T761-R763 VanDerWaalsContact OG1-NE 3.15Å
762	L	95.2	Very high	90.3	Very high	5 Å²	5	28 Å²	28	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.7	164.3	-174.2	72.5	0	0	0	108.3	V449 S450 L452 V459 I474 V476 L485 V755	V449-L762 CarbonylContact C-O 3.58Å; V449-L762 WeakPolarHBondContact CA-O 3.39Å; S450-L762 PolarHBondContact N-O 2.81Å; S450-L762 PolarHBondContact O-N 2.79Å; L452-L762 HydrophobicContact CD1-CB 3.99Å; L452-L762 HydrophobicContact CD2-CB 4.16Å; L452-L762 HydrophobicContact CG-CB 4.04Å; V459-L762 HydrophobicContact CG2-CD1 3.93Å; I474-L762 HydrophobicContact CD1-CD2 4.24Å; I474-L762 HydrophobicContact CG2-CD1 4.37Å; I474-L762 HydrophobicContact CG2-CD2 4.35Å; V476-L762 HydrophobicContact CG2-CD1 4.37Å; L485-L762 HydrophobicContact CD1-CD2 4.03Å; V755-L762 HydrophobicContact CG2-CD1 3.52Å; V755-L762 HydrophobicContact CG2-CG 4.06Å
763	R	95	Very high	89.9	Confident	34 Å²	34	26.4 Å²	26.4	13%	0.128	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.8	-176.8	-55	-168.7	177.2	-122.4	14.1	110.9	E446 A448 V449 Y736 E737 V755 A756 T761 L765	E446-R763 IonicContact OE2-CZ 3.27Å; E446-R763 IonicContact OE2-NH1 3.13Å; E446-R763 PolarHBondContact OE2-NH1 2.88Å; A448-R763 CarbonylContact O-C 3.56Å; A448-R763 WeakPolarHBondContact O-CA 3.33Å; V449-R763 HydrophobicContact CG1-CG 4.45Å; V449-R763 HydrophobicContact CG2-CG 4.28Å; Y736-R763 WeakPolarHBondContact OH-CD 3.31Å; Y736-R763 PolarHBondContact OH-NH1 2.54Å; E737-R763 IonicContact OE1-CZ 3.75Å; E737-R763 IonicContact OE1-NE 3.74Å; E737-R763 PolarHBondContact OE1-NE 2.75Å; E737-R763 IonicContact OE1-NH1 2.74Å; E737-R763 IonicContact OE1-NH2 3.64Å; E737-R763 PolarHBondContact OE1-NH2 2.87Å; E737-R763 IonicContact OE2-CZ 3.43Å; E737-R763 IonicContact OE2-NH2 3.76Å; E737-R763 PolarHBondContact OE2-NH2 2.87Å; E737-R763 VanDerWaalsContact OE2-NH2 3.1Å; V755-R763 CarbonylContact C-O 3.59Å; V755-R763 WeakPolarHBondContact CA-O 3.46Å; A756-R763 PolarHBondContact N-O 2.82Å; A756-R763 PolarHBondContact O-N 3.16Å; T761-R763 PolarHBondContact OG1-NE 2.79Å; T761-R763 VanDerWaalsContact OG1-NE 3.15Å; R763-L765 HydrophobicContact CB-CD2 4.2Å
764	I	94.5	Very high	89.7	Confident	17 Å²	17	27.4 Å²	27.4	9%	0.087	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.6	171.8	-58.1	177	0	0	0	107.6	M447 A448 F745 I754 V755	M447-I764 HydrophobicContact CB-CB 4.28Å; M447-I764 HydrophobicContact CB-CG2 4.04Å; M447-I764 WeakPolarHBondContact CB-O 3.36Å; M447-I764 PolarHBondContact N-O 2.99Å; A448-I764 HydrophobicContact CB-CB 4.18Å; A448-I764 HydrophobicContact CB-CD1 4.13Å; A448-I764 HydrophobicContact CB-CG1 4.29Å; A448-I764 PolarHBondContact N-O 3.13Å; A448-I764 PolarHBondContact O-N 2.96Å; F745-I764 HydrophobicContact CD1-CG2 3.68Å; F745-I764 HydrophobicContact CE1-CD1 4.16Å; F745-I764 HydrophobicContact CE1-CG2 3.61Å; F745-I764 HydrophobicContact CE2-CD1 4.13Å; F745-I764 HydrophobicContact CG-CG2 4.41Å; F745-I764 HydrophobicContact CZ-CD1 3.78Å; F745-I764 HydrophobicContact CZ-CG2 4.31Å; I754-I764 WeakPolarHBondContact O-CA 3.17Å; V755-I764 HydrophobicContact CG2-CG1 4.49Å
765	L	95.1	Very high	89.4	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.5	-172.2	-50.3	176.3	0	0	0	110.2	V444 S445 E446 Y736 L739 G753 I754 A756 R763	V444-L765 HydrophobicContact CG1-CB 3.91Å; V444-L765 HydrophobicContact CG1-CD1 4.12Å; V444-L765 HydrophobicContact CG1-CD2 4Å; V444-L765 HydrophobicContact CG1-CG 4.22Å; S445-L765 CarbonylContact O-C 3.55Å; S445-L765 WeakPolarHBondContact O-CA 3.34Å; E446-L765 HydrophobicContact CB-CD2 4.4Å; E446-L765 HydrophobicContact CG-CD2 4.41Å; Y736-L765 HydrophobicContact CD1-CD1 4.35Å; Y736-L765 HydrophobicContact CE1-CD1 4.07Å; Y736-L765 HydrophobicContact CE1-CD2 4Å; Y736-L765 HydrophobicContact CE2-CD2 4.21Å; L739-L765 HydrophobicContact CD1-CD1 3.86Å; L739-L765 HydrophobicContact CD2-CD1 4.43Å; G753-L765 CarbonylContact C-O 3.59Å; G753-L765 VanDerWaalsContact CA-O 3.3Å; G753-L765 WeakPolarHBondContact CA-O 3.37Å; I754-L765 HydrophobicContact CB-CB 4.38Å; I754-L765 PolarHBondContact N-O 3.19Å; I754-L765 PolarHBondContact O-N 3.17Å; A756-L765 HydrophobicContact CB-CD1 4.19Å; R763-L765 HydrophobicContact CB-CD2 4.2Å
766	A	92.3	Very high	89.1	Confident	6 Å²	6	30.7 Å²	30.7	5%	0.05	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.5	171.4	0	0	0	0	0	110.7	S445 M447 E768	S445-A766 PolarHBondContact N-O 2.8Å; S445-A766 PolarHBondContact O-N 2.91Å; M447-A766 HydrophobicContact CG-CB 4.07Å; M447-A766 HydrophobicContact SD-CB 4.24Å; A766-E768 HydrophobicContact CB-CG 4.45Å
767	L	89.8	Confident	88.9	Confident	12 Å²	12	33.3 Å²	33.3	6%	0.063	18%	0.183	C	C	.	.			trans	-119	82.6	-179	-60.6	-177.8	0	0	0	109.9	V444 M706 L721 L734 I754 L770	V444-L767 HydrophobicContact CB-CD2 4.17Å; V444-L767 HydrophobicContact CG1-CD2 4.1Å; V444-L767 HydrophobicContact CG2-CD2 3.68Å; M706-L767 HydrophobicContact CE-CB 4.3Å; M706-L767 HydrophobicContact CE-CD1 3.99Å; M706-L767 HydrophobicContact CE-CG 4.34Å; M706-L767 HydrophobicContact SD-CB 3.99Å; M706-L767 HydrophobicContact SD-CD1 4.22Å; L721-L767 HydrophobicContact CD1-CD1 4.39Å; L721-L767 HydrophobicContact CD2-CD1 3.76Å; L721-L767 HydrophobicContact CG-CD1 4.47Å; L734-L767 HydrophobicContact CD2-CD1 4.03Å; L734-L767 HydrophobicContact CD2-CD2 4Å; I754-L767 HydrophobicContact CD1-CD1 3.65Å; I754-L767 HydrophobicContact CD1-CG 4.14Å; L767-L770 HydrophobicContact CB-CD2 4.46Å
768	E	78	Confident	88.9	Confident	121 Å²	121	35.7 Å²	35.7	57%	0.565	20%	0.203	S	C	*	.			trans	-82.9	-37.7	-169	-59.8	-177.3	155.5	0	0	113.6	A766 L770	A766-E768 HydrophobicContact CB-CG 4.45Å; E768-L770 PolarHBondContact O-N 2.86Å
769	K	77.8	Confident	89.1	Confident	92 Å²	92	36.5 Å²	36.5	40%	0.4	21%	0.205	S	C	.	.			trans	-97.9	64.6	-172.7	-63.7	-176.3	-169.2	159.4	0	112.9	D402 E443 A772	D402-K769 IonicContact OD2-NZ 3.7Å; E443-K769 WeakPolarHBondContact OE2-CD 3.31Å; E443-K769 WeakPolarHBondContact OE2-CE 3.29Å; E443-K769 IonicContact OE2-NZ 2.65Å; E443-K769 PolarHBondContact OE2-NZ 2.83Å; K769-A772 HydrophobicContact CB-CB 4.48Å; K769-A772 WeakPolarHBondContact O-CB 3.05Å
770	L	79.1	Confident	89.3	Confident	17 Å²	17	38.6 Å²	38.6	9%	0.089	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	150.1	173.9	-60.7	-176.2	0	0	0	112.1	L442 M706 Q707 L721 Y723 Y725 L767 E768 A772	L442-L770 HydrophobicContact CD1-CD2 4.2Å; M706-L770 HydrophobicContact CB-CD1 4.06Å; Q707-L770 HydrophobicContact CB-CD1 4.46Å; Q707-L770 HydrophobicContact CG-CD1 3.73Å; L721-L770 HydrophobicContact CD2-CD2 3.91Å; Y723-L770 HydrophobicContact CD2-CD1 4.25Å; Y723-L770 HydrophobicContact CD2-CD2 4.37Å; Y723-L770 HydrophobicContact CE2-CB 3.93Å; Y723-L770 HydrophobicContact CE2-CD1 4.43Å; Y723-L770 HydrophobicContact CE2-CD2 4.14Å; Y723-L770 HydrophobicContact CE2-CG 4.4Å; Y725-L770 HydrophobicContact CD2-CB 4.17Å; Y725-L770 HydrophobicContact CE2-CB 4.38Å; L767-L770 HydrophobicContact CB-CD2 4.46Å; E768-L770 PolarHBondContact O-N 2.86Å; L770-A772 PolarHBondContact O-N 2.85Å
771	G	75.2	Confident	89.4	Confident	24 Å²	24	36.3 Å²	36.3	25%	0.247	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	-13.8	-178.2	0	0	0	0	0	114.9	Y723 V773	Y723-G771 PolarHBondContact OH-N 2.8Å; Y723-G771 VanDerWaalsContact OH-N 3.1Å; G771-V773 PolarHBondContact O-N 2.77Å
772	A	79.1	Confident	89.4	Confident	38 Å²	38	37.7 Å²	37.7	31%	0.314	21%	0.213	S	C	.	.			trans	-67.6	128.4	169.2	0	0	0	0	0	110.1	L442 K769 L770	L442-A772 WeakPolarHBondContact CD2-O 3.19Å; K769-A772 HydrophobicContact CB-CB 4.48Å; K769-A772 WeakPolarHBondContact O-CB 3.05Å; L770-A772 PolarHBondContact O-N 2.85Å
773	V	81.3	Confident	89.5	Confident	34 Å²	34	38 Å²	38	21%	0.206	21%	0.214	C	C	.	.	S	Bend	trans	-82.8	-36.9	178.3	175	0	0	0	0	111.1	L8 H440 G441 G771 F1217	L8-V773 WeakPolarHBondContact O-CG2 3.49Å; H440-V773 PolarHBondContact CD2-O 2.92Å; G441-V773 PolarHBondContact N-O 2.89Å; G771-V773 PolarHBondContact O-N 2.77Å; V773-F1217 HydrophobicContact CG1-CD1 4.34Å; V773-F1217 HydrophobicContact CG1-CE1 3.29Å; V773-F1217 HydrophobicContact CG1-CZ 3.7Å; V773-F1217 HydrophobicContact CG2-CZ 4.32Å
774	F	90	Very high	89.7	Confident	24 Å²	24	36.5 Å²	36.5	11%	0.105	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.7	-176.9	-58.8	-75.7	0	0	0	111.3	L8 Q9 L423 L438 R439 H440 I1126	L8-F774 HydrophobicContact CB-CE2 4.19Å; L8-F774 HydrophobicContact CB-CZ 4.39Å; L8-F774 HydrophobicContact CD1-CZ 4.5Å; Q9-F774 HydrophobicContact CB-CD2 4.2Å; Q9-F774 HydrophobicContact CB-CE2 4.16Å; L423-F774 HydrophobicContact CD1-CE1 3.9Å; L423-F774 HydrophobicContact CD1-CZ 4.38Å; L438-F774 HydrophobicContact CB-CB 3.98Å; L438-F774 HydrophobicContact CB-CD1 4.2Å; L438-F774 HydrophobicContact CB-CG 4.14Å; R439-F774 CarbonylContact O-C 3.51Å; R439-F774 WeakPolarHBondContact O-CA 3.24Å; H440-F774 HydrophobicContact CB-CD1 4.38Å; H440-F774 HydrophobicContact CB-CE1 4.34Å; F774-I1126 HydrophobicContact CE2-CD1 4.31Å
775	N	90	Very high	89.8	Confident	25 Å²	25	35.7 Å²	35.7	13%	0.134	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	143.8	158	-176	3.3	0	0	0	108.3	L438 R439 G441 S735	L438-N775 CarbonylContact C-O 3.46Å; L438-N775 WeakPolarHBondContact CA-O 3.37Å; R439-N775 PolarHBondContact N-O 3.09Å; R439-N775 PolarHBondContact O-N 3.16Å; G441-N775 WeakPolarHBondContact O-CB 3.27Å; G441-N775 PolarHBondContact O-N 2.97Å; S735-N775 VanDerWaalsContact CB-ND2 3.33Å; S735-N775 WeakPolarHBondContact CB-ND2 3.18Å; S735-N775 WeakPolarHBondContact OG-CB 3.4Å
776	Q	90.6	Very high	89.9	Confident	43 Å²	43	39.7 Å²	39.7	20%	0.201	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	142.2	-177.3	68	-170.6	-36.3	0	0	113.1	D402 R436 V437 L438	D402-Q776 PolarHBondContact OD2-NE2 2.84Å; R436-Q776 VanDerWaalsContact NH1-CD 3.34Å; V437-Q776 VanDerWaalsContact O-CA 3.31Å; V437-Q776 WeakPolarHBondContact O-CA 3.49Å; L438-Q776 HydrophobicContact CD2-CB 3.43Å; L438-Q776 VanDerWaalsContact CD2-CB 3.43Å
777	V	92.7	Very high	90.2	Very high	55 Å²	55	42.5 Å²	42.5	33%	0.333	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.6	167.3	-179.3	0	0	0	0	107.9	R436 V437 F779	R436-V777 CarbonylContact C-O 3.59Å; R436-V777 VanDerWaalsContact CA-O 3.29Å; R436-V777 WeakPolarHBondContact CA-O 3.45Å; V437-V777 PolarHBondContact N-O 3.41Å; V437-V777 PolarHBondContact O-N 2.68Å; V777-F779 HydrophobicContact CG1-CD1 4.45Å; V777-F779 HydrophobicContact CG1-CE1 3.72Å; V777-F779 HydrophobicContact CG1-CE2 4.36Å; V777-F779 HydrophobicContact CG1-CZ 3.68Å
778	A	95.2	Very high	90.6	Very high	51 Å²	51	41.9 Å²	41.9	42%	0.421	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133	-179.3	0	0	0	0	0	111.4	R436	R436-A778 HydrophobicContact CG-CB 3.94Å
779	F	97.2	Very high	91.6	Very high	26 Å²	26	37.2 Å²	37.2	11%	0.114	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.4	172.4	-55.5	-57.6	0	0	0	108.9	S434 L435 V437 V777 M869 P871	S434-F779 CarbonylContact C-O 3.57Å; S434-F779 WeakPolarHBondContact CA-O 3.42Å; S434-F779 VanDerWaalsContact CB-O 3.29Å; S434-F779 WeakPolarHBondContact CB-O 3.14Å; L435-F779 HydrophobicContact CD2-CD2 4.3Å; L435-F779 PolarHBondContact N-O 2.82Å; L435-F779 PolarHBondContact O-N 2.92Å; V437-F779 HydrophobicContact CG2-CD2 4.3Å; V437-F779 HydrophobicContact CG2-CE2 3.71Å; V777-F779 HydrophobicContact CG1-CD1 4.45Å; V777-F779 HydrophobicContact CG1-CE1 3.72Å; V777-F779 HydrophobicContact CG1-CE2 4.36Å; V777-F779 HydrophobicContact CG1-CZ 3.68Å; F779-M869 HydrophobicContact CB-CE 4.22Å; F779-M869 HydrophobicContact CB-SD 4.25Å; F779-M869 HydrophobicContact CD2-SD 4.43Å; F779-P871 WeakPolarHBondContact CE2-O 3.29Å
780	P	96.9	Very high	92.5	Very high	111 Å²	111	34 Å²	34	72%	0.721	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	146	-176.9	27.3	-34.1	0	0	0	111.4
781	L	97.1	Very high	93.4	Very high	13 Å²	13	33.3 Å²	33.3	7%	0.068	19%	0.19	C	C	.	.			trans	-121.1	169.9	177.9	-62.2	178.5	0	0	0	110.2	S433 L435 P785 I799 M869	S433-L781 PolarHBondContact O-N 3.16Å; S433-L781 WeakPolarHBondContact OG-CB 3.38Å; L435-L781 HydrophobicContact CB-CD1 4.34Å; L781-P785 HydrophobicContact CD1-CB 3.65Å; L781-P785 HydrophobicContact CD1-CG 3.76Å; L781-I799 HydrophobicContact CD2-CD1 4.48Å; L781-M869 HydrophobicContact CD2-CE 3.85Å
782	Q	95.3	Very high	94.3	Very high	42 Å²	42	35.9 Å²	35.9	20%	0.196	20%	0.203	C	C	.	.	S	Bend	trans	-94.1	-44.5	-174.2	-174.6	174.8	4.4	0	0	111.9	G430 E801 E809	G430-Q782 CarbonylContact C-O 3.19Å; Q782-E801 PolarHBondContact N-OE2 2.71Å; Q782-E809 PolarHBondContact NE2-OE1 3.23Å
783	Y	97.8	Very high	95	Very high	11 Å²	11	39.3 Å²	39.3	4%	0.043	21%	0.212	C	C	.	.	S	Bend	trans	-124.6	168	178.3	-57.1	-66	0	0	0	110.5	S433 P785 E801 D803 Y807 A863 V865	S433-Y783 PolarHBondContact OG-O 2.92Å; Y783-P785 VanDerWaalsContact O-CD 3.28Å; Y783-P785 WeakPolarHBondContact O-CD 3.47Å; Y783-P785 VanDerWaalsContact O-N 3.13Å; Y783-E801 PolarHBondContact N-OE2 3.15Å; Y783-E801 WeakPolarHBondContact O-CB 3.5Å; Y783-D803 VanDerWaalsContact CA-OD2 3.24Å; Y783-D803 WeakPolarHBondContact CA-OD2 3.23Å; Y783-D803 VanDerWaalsContact CB-OD2 3.3Å; Y783-D803 WeakPolarHBondContact CB-OD2 3.49Å; Y783-D803 HydrophobicContact CD1-CB 4.24Å; Y783-Y807 PolarHBondContact OH-O 3.06Å; Y783-A863 HydrophobicContact CD1-CB 4.43Å; Y783-A863 HydrophobicContact CE1-CB 3.8Å; Y783-A863 HydrophobicContact CE2-CB 4.17Å; Y783-V865 HydrophobicContact CD2-CG1 3.99Å; Y783-V865 HydrophobicContact CD2-CG2 4.14Å; Y783-V865 HydrophobicContact CE2-CG1 3.76Å
784	T	98.3	Very high	95.6	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.025	21%	0.211	C	C	.	.			trans	-56	116.3	178.6	-60.4	0	0	0	0	112.3	L408 R429 G430 R786 E801 T802 D803	L408-T784 HydrophobicContact CD1-CG2 3.11Å; R429-T784 WeakPolarHBondContact CA-OG1 3.15Å; G430-T784 PolarHBondContact N-OG1 3.09Å; T784-R786 PolarHBondContact O-N 2.73Å; T784-E801 CarbonylContact O-C 3.54Å; T784-E801 WeakPolarHBondContact O-CA 3.34Å; T784-T802 PolarHBondContact O-N 3.15Å; T784-D803 WeakPolarHBondContact CB-OD1 3.43Å; T784-D803 PolarHBondContact N-OD2 2.67Å; T784-D803 PolarHBondContact OG1-OD1 3.31Å; T784-D803 PolarHBondContact OG1-OD2 2.86Å
785	P	98.2	Very high	95.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	121	-178.7	29.2	-36.6	0	0	0	111.2	L408 A426 L781 Y783 I799	L408-P785 WeakPolarHBondContact CB-O 3.26Å; L408-P785 WeakPolarHBondContact CD1-O 3.37Å; A426-P785 HydrophobicContact CB-CB 3.78Å; A426-P785 HydrophobicContact CB-CG 3.77Å; L781-P785 HydrophobicContact CD1-CB 3.65Å; L781-P785 HydrophobicContact CD1-CG 3.76Å; Y783-P785 VanDerWaalsContact O-CD 3.28Å; Y783-P785 WeakPolarHBondContact O-CD 3.47Å; Y783-P785 VanDerWaalsContact O-N 3.13Å; P785-I799 HydrophobicContact CB-CG2 4.27Å
786	R	97	Very high	96.3	Very high	85 Å²	85	39 Å²	39	32%	0.321	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-43.2	-176.7	-61.1	-58.2	176.8	-179.8	-5.3	112.9	T784 I800 T802	T784-R786 PolarHBondContact O-N 2.73Å; R786-I800 HydrophobicContact CB-CD1 4.12Å; R786-I800 HydrophobicContact CB-CG1 4.18Å; R786-I800 PolarHBondContact N-O 3.44Å; R786-T802 VanDerWaalsContact CZ-O 3.31Å; R786-T802 PolarHBondContact NE-O 3.23Å; R786-T802 PolarHBondContact NH2-O 3.36Å
787	K	97.8	Very high	96.6	Very high	64 Å²	64	36.9 Å²	36.9	28%	0.278	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	153.2	-177.1	-165	166.6	-173	171.6	0	109.3	F409 I800 V891	F409-K787 HydrophobicContact CD1-CG 4.22Å; F409-K787 HydrophobicContact CD2-CG 4.2Å; F409-K787 HydrophobicContact CE1-CG 4.17Å; F409-K787 HydrophobicContact CE2-CG 4.15Å; F409-K787 HydrophobicContact CG-CG 4.24Å; F409-K787 HydrophobicContact CZ-CG 4.14Å; K787-I800 HydrophobicContact CB-CD1 4.03Å; K787-I800 HydrophobicContact CB-CG1 3.94Å; K787-I800 WeakPolarHBondContact O-CG1 3.48Å; K787-I800 PolarHBondContact O-N 2.75Å; K787-V891 HydrophobicContact CB-CG1 4.11Å; K787-V891 HydrophobicContact CD-CG1 4.39Å; K787-V891 HydrophobicContact CG-CG1 4.09Å
788	F	98.3	Very high	96.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	162.1	165.8	66.3	-95.7	0	0	0	110.6	F409 Q411 Y424 A426 L435 L797 I798 I799	F409-F788 AromaticContact CD1-CD1 3.67Å; F409-F788 HydrophobicContact CD1-CD1 3.67Å; F409-F788 AromaticContact CD1-CE1 3.63Å; F409-F788 HydrophobicContact CD1-CE1 3.63Å; F409-F788 HydrophobicContact CD1-CG 4.18Å; F409-F788 HydrophobicContact CD1-CZ 4.11Å; F409-F788 HydrophobicContact CE1-CD1 4.31Å; F409-F788 HydrophobicContact CE1-CE1 4.26Å; F409-F788 HydrophobicContact CE1-CE2 4.47Å; F409-F788 HydrophobicContact CE1-CG 4.42Å; F409-F788 HydrophobicContact CE1-CZ 4.33Å; F409-F788 WeakPolarHBondContact CE1-O 3.13Å; Q411-F788 HydrophobicContact CB-CE2 3.61Å; Q411-F788 HydrophobicContact CB-CZ 3.67Å; Y424-F788 WeakPolarHBondContact O-CZ 3.16Å; A426-F788 HydrophobicContact CB-CD1 4.26Å; A426-F788 HydrophobicContact CB-CE1 4.3Å; L435-F788 HydrophobicContact CD1-CD1 4.32Å; L435-F788 HydrophobicContact CD1-CE1 4.07Å; F788-L797 HydrophobicContact CD2-CD1 4.36Å; F788-L797 HydrophobicContact CD2-CD2 3.96Å; F788-L797 HydrophobicContact CE2-CD1 4.5Å; F788-L797 HydrophobicContact CE2-CD2 4.13Å; F788-I798 CarbonylContact C-O 3.55Å; F788-I798 WeakPolarHBondContact CA-O 3.04Å; F788-I798 WeakPolarHBondContact CB-O 3.42Å; F788-I799 HydrophobicContact CB-CB 4.1Å; F788-I799 HydrophobicContact CB-CG1 3.75Å; F788-I799 HydrophobicContact CB-CG2 4.23Å
789	V	98	Very high	97.1	Very high	23 Å²	23	31.9 Å²	31.9	14%	0.139	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.8	174.2	-71.6	0	0	0	0	109.6	I798 V891 V893	V789-I798 HydrophobicContact CG2-CB 3.99Å; V789-I798 PolarHBondContact N-O 3.3Å; V789-I798 PolarHBondContact O-N 3Å; V789-V891 HydrophobicContact CG1-CG1 4.11Å; V789-V891 HydrophobicContact CG2-CG1 4.18Å; V789-V891 HydrophobicContact CG2-CG2 3.79Å; V789-V893 HydrophobicContact CB-CG2 4.31Å; V789-V893 HydrophobicContact CG2-CB 4.42Å; V789-V893 HydrophobicContact CG2-CG2 3.57Å
790	I	97.6	Very high	97.2	Very high	23 Å²	23	30.7 Å²	30.7	12%	0.118	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.8	-177.8	-51.3	-178.8	0	0	0	108.7	Q411 A413 L415 P792 L797	Q411-I790 HydrophobicContact CG-CD1 3.91Å; A413-I790 HydrophobicContact CB-CD1 3.85Å; L415-I790 HydrophobicContact CD1-CD1 4.03Å; L415-I790 HydrophobicContact CD1-CG2 4.4Å; L415-I790 HydrophobicContact CD2-CD1 3.99Å; L415-I790 HydrophobicContact CD2-CG2 3.82Å; L415-I790 HydrophobicContact CG-CD1 4.47Å; I790-P792 WeakPolarHBondContact O-CD 3.38Å; I790-L797 HydrophobicContact CB-CD2 4.41Å; I790-L797 HydrophobicContact CD1-CD2 4.4Å; I790-L797 HydrophobicContact CG1-CD2 3.68Å
791	H	97.2	Very high	97.2	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.014	13%	0.127	C	C	.	.			trans	-74.9	117	168.6	179.6	-127.6	0	0	0	109.8	E793 S794 N795 N796 I798 W903	H791-E793 VanDerWaalsContact C-N 3.27Å; H791-E793 PolarHBondContact O-N 2.85Å; H791-E793 VanDerWaalsContact O-N 3.16Å; H791-S794 PolarHBondContact ND1-N 3.17Å; H791-S794 PolarHBondContact ND1-OG 3.32Å; H791-S794 PolarHBondContact O-N 2.85Å; H791-N795 WeakPolarHBondContact O-CA 3.3Å; H791-N795 PolarHBondContact O-N 2.85Å; H791-N796 PolarHBondContact N-O 2.84Å; H791-I798 HydrophobicContact CB-CD1 3.97Å; H791-W903 AromaticContact CD2-CD1 3.98Å; H791-W903 AromaticContact CD2-CG 3.9Å; H791-W903 AromaticContact NE2-CD1 3.11Å; H791-W903 AromaticContact NE2-CG 3.43Å; H791-W903 AromaticContact NE2-NE1 3.51Å
792	P	94.2	Very high	97.3	Very high	78 Å²	78	24.8 Å²	24.8	51%	0.506	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.1	-169.6	-27.3	38.1	0	0	0	116	I790 W903	I790-P792 WeakPolarHBondContact O-CD 3.38Å; P792-W903 HydrophobicContact CB-CH2 4.28Å; P792-W903 HydrophobicContact CB-CZ2 4.09Å; P792-W903 HydrophobicContact CG-CH2 3.64Å; P792-W903 HydrophobicContact CG-CZ2 3.89Å; P792-W903 HydrophobicContact CG-CZ3 4.25Å
793	E	94.6	Very high	97.4	Very high	110 Å²	110	23.4 Å²	23.4	51%	0.514	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-31.4	-176.9	-69	177.9	178.9	0	0	113.6	H791 R895 W903	H791-E793 VanDerWaalsContact C-N 3.27Å; H791-E793 PolarHBondContact O-N 2.85Å; H791-E793 VanDerWaalsContact O-N 3.16Å; E793-R895 IonicContact OE1-CZ 2.87Å; E793-R895 IonicContact OE1-NH2 3.88Å; E793-R895 PolarHBondContact OE1-NH2 2.83Å; E793-W903 PolarHBondContact OE1-NE1 2.9Å; E793-W903 VanDerWaalsContact OE1-NE1 3.12Å; E793-W903 PolarHBondContact OE2-NE1 2.98Å
794	S	94.8	Very high	97.3	Very high	25 Å²	25	25.7 Å²	25.7	18%	0.175	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-6.3	-176.8	72.8	0	0	0	0	114.5	H791 N796 N933	H791-S794 PolarHBondContact ND1-N 3.17Å; H791-S794 PolarHBondContact ND1-OG 3.32Å; H791-S794 PolarHBondContact O-N 2.85Å; S794-N796 PolarHBondContact O-N 3.16Å; S794-N796 WeakPolarHBondContact OG-CB 3.34Å; S794-N796 PolarHBondContact OG-N 2.83Å; S794-N796 PolarHBondContact OG-ND2 3.45Å; S794-N796 VanDerWaalsContact OG-ND2 3.14Å; S794-N933 WeakPolarHBondContact CB-O 3.33Å; S794-N933 PolarHBondContact OG-O 2.65Å; S794-N933 VanDerWaalsContact OG-O 3.08Å
795	N	95.8	Very high	97.2	Very high	45 Å²	45	27 Å²	27	24%	0.241	14%	0.136	C	C	.	.			trans	59.6	8	-173.3	-64.2	-17.8	0	0	0	114.8	L415 H791 P871	L415-N795 HydrophobicContact CB-CB 4.14Å; L415-N795 HydrophobicContact CD2-CB 3.97Å; L415-N795 PolarHBondContact O-ND2 2.94Å; H791-N795 WeakPolarHBondContact O-CA 3.3Å; H791-N795 PolarHBondContact O-N 2.85Å; N795-P871 WeakPolarHBondContact O-CD 3.15Å; N795-P871 VanDerWaalsContact O-CG 3.31Å; N795-P871 WeakPolarHBondContact O-CG 3.39Å
796	N	97.6	Very high	97.1	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.032	14%	0.14	C	C	.	.			trans	-67.1	148.1	174.6	-67.7	-26.2	0	0	0	110.9	H791 S794 V868 L877 G934	H791-N796 PolarHBondContact N-O 2.84Å; S794-N796 PolarHBondContact O-N 3.16Å; S794-N796 WeakPolarHBondContact OG-CB 3.34Å; S794-N796 PolarHBondContact OG-N 2.83Å; S794-N796 PolarHBondContact OG-ND2 3.45Å; S794-N796 VanDerWaalsContact OG-ND2 3.14Å; N796-V868 HydrophobicContact CB-CG1 4.25Å; N796-L877 HydrophobicContact CB-CD1 4.48Å; N796-L877 WeakPolarHBondContact ND2-CD1 3.15Å; N796-G934 PolarHBondContact ND2-O 2.75Å
797	L	98.1	Very high	97	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.5	176	-56.5	-175.2	0	0	0	110.4	L415 Y424 L435 F788 I790 I799 V868 M869 P871	L415-L797 HydrophobicContact CD1-CD2 3.91Å; Y424-L797 HydrophobicContact CD1-CD1 4.39Å; L435-L797 HydrophobicContact CD1-CD1 4.26Å; L435-L797 HydrophobicContact CD2-CD1 3.39Å; L435-L797 HydrophobicContact CG-CD1 4.47Å; F788-L797 HydrophobicContact CD2-CD1 4.36Å; F788-L797 HydrophobicContact CD2-CD2 3.96Å; F788-L797 HydrophobicContact CE2-CD1 4.5Å; F788-L797 HydrophobicContact CE2-CD2 4.13Å; I790-L797 HydrophobicContact CB-CD2 4.41Å; I790-L797 HydrophobicContact CD1-CD2 4.4Å; I790-L797 HydrophobicContact CG1-CD2 3.68Å; L797-I799 HydrophobicContact CB-CD1 4.35Å; L797-I799 HydrophobicContact CB-CG1 4.02Å; L797-V868 CarbonylContact O-C 3.56Å; L797-V868 VanDerWaalsContact O-CA 3.3Å; L797-V868 WeakPolarHBondContact O-CA 3.42Å; L797-M869 PolarHBondContact N-O 2.83Å; L797-M869 PolarHBondContact O-N 2.82Å; L797-P871 HydrophobicContact CD1-CB 3.83Å; L797-P871 HydrophobicContact CG-CB 3.92Å; L797-P871 HydrophobicContact CG-CG 4.15Å
798	I	98.6	Very high	96.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	108.7	167.1	-57.1	83.5	0	0	0	107.3	F788 V789 H791 I866 R867 V868 V891 V893 V905	F788-I798 CarbonylContact C-O 3.55Å; F788-I798 WeakPolarHBondContact CA-O 3.04Å; F788-I798 WeakPolarHBondContact CB-O 3.42Å; V789-I798 HydrophobicContact CG2-CB 3.99Å; V789-I798 PolarHBondContact N-O 3.3Å; V789-I798 PolarHBondContact O-N 3Å; H791-I798 HydrophobicContact CB-CD1 3.97Å; I798-I866 HydrophobicContact CG2-CG2 3.88Å; I798-R867 CarbonylContact C-O 3.57Å; I798-R867 WeakPolarHBondContact CA-O 3.43Å; I798-V868 HydrophobicContact CG1-CG2 4.41Å; I798-V891 HydrophobicContact CG2-CG2 4.22Å; I798-V893 HydrophobicContact CD1-CG2 3.88Å; I798-V905 HydrophobicContact CG1-CG2 4.13Å; I798-V905 HydrophobicContact CG2-CG1 4Å; I798-V905 HydrophobicContact CG2-CG2 4.45Å
799	I	98.6	Very high	96.7	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.3	-171.5	-47.3	174.3	0	0	0	108.8	L435 L781 P785 F788 L797 E801 I866 R867 M869	L435-I799 HydrophobicContact CD2-CD1 4.19Å; L781-I799 HydrophobicContact CD2-CD1 4.48Å; P785-I799 HydrophobicContact CB-CG2 4.27Å; F788-I799 HydrophobicContact CB-CB 4.1Å; F788-I799 HydrophobicContact CB-CG1 3.75Å; F788-I799 HydrophobicContact CB-CG2 4.23Å; L797-I799 HydrophobicContact CB-CD1 4.35Å; L797-I799 HydrophobicContact CB-CG1 4.02Å; I799-E801 HydrophobicContact CG2-CG 4.13Å; I799-I866 CarbonylContact O-C 3.59Å; I799-I866 WeakPolarHBondContact O-CA 3.37Å; I799-R867 HydrophobicContact CB-CB 4.37Å; I799-R867 PolarHBondContact N-O 2.97Å; I799-R867 PolarHBondContact O-N 2.81Å; I799-M869 HydrophobicContact CD1-CB 4.18Å; I799-M869 HydrophobicContact CD1-SD 4.13Å
800	I	98.7	Very high	96.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.6	166.6	54.9	163.5	0	0	0	109.7	R786 K787 I866 A888 V891 V907	R786-I800 HydrophobicContact CB-CD1 4.12Å; R786-I800 HydrophobicContact CB-CG1 4.18Å; R786-I800 PolarHBondContact N-O 3.44Å; K787-I800 HydrophobicContact CB-CD1 4.03Å; K787-I800 HydrophobicContact CB-CG1 3.94Å; K787-I800 WeakPolarHBondContact O-CG1 3.48Å; K787-I800 PolarHBondContact O-N 2.75Å; I800-I866 HydrophobicContact CG2-CG1 4.32Å; I800-A888 HydrophobicContact CB-CB 4.1Å; I800-A888 HydrophobicContact CD1-CB 4.28Å; I800-A888 HydrophobicContact CG2-CB 4.24Å; I800-V891 HydrophobicContact CD1-CB 4.41Å; I800-V891 HydrophobicContact CD1-CG1 4.26Å; I800-V891 HydrophobicContact CG1-CB 4.45Å; I800-V891 HydrophobicContact CG1-CG1 4.05Å; I800-V891 HydrophobicContact CG2-CB 3.99Å; I800-V891 HydrophobicContact CG2-CG1 4.32Å; I800-V891 HydrophobicContact CG2-CG2 4.4Å; I800-V907 HydrophobicContact CG2-CG1 3.94Å; I800-V907 HydrophobicContact CG2-CG2 4.38Å
801	E	98.6	Very high	96.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133	178.5	-52.3	168.7	-138.8	0	0	108.5	Q782 Y783 T784 I799 S864 V865 R867	Q782-E801 PolarHBondContact N-OE2 2.71Å; Y783-E801 PolarHBondContact N-OE2 3.15Å; Y783-E801 WeakPolarHBondContact O-CB 3.5Å; T784-E801 CarbonylContact O-C 3.54Å; T784-E801 WeakPolarHBondContact O-CA 3.34Å; I799-E801 HydrophobicContact CG2-CG 4.13Å; E801-S864 CarbonylContact O-C 3.53Å; E801-S864 WeakPolarHBondContact O-CA 3.21Å; E801-S864 WeakPolarHBondContact O-CB 3.4Å; E801-V865 HydrophobicContact CB-CG2 3.78Å; E801-V865 HydrophobicContact CG-CG2 4.04Å; E801-V865 PolarHBondContact N-O 3.05Å; E801-V865 PolarHBondContact O-N 3.25Å; E801-R867 IonicContact OE1-CZ 3.37Å; E801-R867 IonicContact OE1-NE 3.62Å; E801-R867 PolarHBondContact OE1-NE 2.88Å; E801-R867 IonicContact OE1-NH2 3.72Å; E801-R867 PolarHBondContact OE1-NH2 2.82Å; E801-R867 IonicContact OE2-NH2 2.93Å
802	T	98.5	Very high	96.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	126.7	-172.1	-60.6	0	0	0	0	112.5	T784 R786 W862 A863 S864 A887 A888	T784-T802 PolarHBondContact O-N 3.15Å; R786-T802 VanDerWaalsContact CZ-O 3.31Å; R786-T802 PolarHBondContact NE-O 3.23Å; R786-T802 PolarHBondContact NH2-O 3.36Å; T802-W862 HydrophobicContact CG2-CE3 3.79Å; T802-W862 HydrophobicContact CG2-CZ3 4.09Å; T802-A863 WeakPolarHBondContact CA-O 3.33Å; T802-S864 WeakPolarHBondContact CB-OG 3.07Å; T802-S864 WeakPolarHBondContact CG2-OG 3.38Å; T802-S864 PolarHBondContact OG1-OG 2.79Å; T802-A887 HydrophobicContact CG2-CB 3.88Å; T802-A888 PolarHBondContact OG1-N 3.4Å; T802-A888 PolarHBondContact OG1-O 2.64Å
803	D	97.7	Very high	96.1	Very high	14 Å²	14	26 Å²	26	8%	0.075	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.2	172.6	-81.2	-49.2	0	0	0	113.6	G430 Y783 T784 A806 W862 A863	G430-D803 VanDerWaalsContact CA-OD2 3.27Å; G430-D803 WeakPolarHBondContact CA-OD2 3.41Å; Y783-D803 VanDerWaalsContact CA-OD2 3.24Å; Y783-D803 WeakPolarHBondContact CA-OD2 3.23Å; Y783-D803 VanDerWaalsContact CB-OD2 3.3Å; Y783-D803 WeakPolarHBondContact CB-OD2 3.49Å; Y783-D803 HydrophobicContact CD1-CB 4.24Å; T784-D803 WeakPolarHBondContact CB-OD1 3.43Å; T784-D803 PolarHBondContact N-OD2 2.67Å; T784-D803 PolarHBondContact OG1-OD1 3.31Å; T784-D803 PolarHBondContact OG1-OD2 2.86Å; D803-A806 HydrophobicContact CB-CB 3.74Å; D803-W862 WeakPolarHBondContact O-CA 3.33Å; D803-A863 PolarHBondContact N-O 3.19Å; D803-A863 PolarHBondContact O-N 3.34Å; D803-A863 VanDerWaalsContact O-N 3.13Å
804	H	95.6	Very high	96	Very high	58 Å²	58	26.3 Å²	26.3	27%	0.269	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	152.7	167.4	168.4	-101.2	0	0	0	109.6	A806 Q861 W862	H804-A806 VanDerWaalsContact C-N 3.28Å; H804-A806 PolarHBondContact O-N 3.42Å; H804-Q861 CarbonylContact C-O 3.45Å; H804-W862 HydrophobicContact CB-CD2 4.17Å; H804-W862 HydrophobicContact CB-CE3 3.87Å; H804-W862 HydrophobicContact CB-CH2 3.64Å; H804-W862 HydrophobicContact CB-CZ2 3.94Å; H804-W862 HydrophobicContact CB-CZ3 3.61Å; H804-W862 AromaticContact CD2-CE2 3.7Å; H804-W862 AromaticContact CD2-CZ2 3.61Å; H804-W862 AromaticContact CD2-NE1 3.98Å
805	N	95.3	Very high	95.8	Very high	33 Å²	33	29.2 Å²	29.2	18%	0.176	16%	0.161	C	C	.	.	S	Bend	trans	57.7	45.9	-179.8	-169.5	3.2	0	0	0	110	K856 A857 G858 Q861	N805-K856 WeakPolarHBondContact OD1-CA 3.44Å; N805-K856 WeakPolarHBondContact OD1-CB 3.36Å; N805-A857 PolarHBondContact O-N 3.33Å; N805-A857 PolarHBondContact OD1-N 2.86Å; N805-G858 WeakPolarHBondContact OD1-CA 3.25Å; N805-G858 PolarHBondContact OD1-N 2.86Å; N805-G858 PolarHBondContact OD1-O 2.86Å; N805-Q861 PolarHBondContact N-O 2.84Å
806	A	96	Very high	95.6	Very high	9 Å²	9	29.4 Å²	29.4	7%	0.074	16%	0.16	C	C	.	.			trans	-141.2	148.1	-172.2	0	0	0	0	0	112.3	D803 H804 W862 A863 Q884	D803-A806 HydrophobicContact CB-CB 3.74Å; H804-A806 VanDerWaalsContact C-N 3.28Å; H804-A806 PolarHBondContact O-N 3.42Å; A806-W862 CarbonylContact O-C 3.56Å; A806-A863 HydrophobicContact CB-CB 4.11Å; A806-Q884 PolarHBondContact O-NE2 3.06Å; A806-Q884 VanDerWaalsContact O-NE2 3.15Å
807	Y	95.5	Very high	95.4	Very high	7 Å²	7	33.2 Å²	33.2	3%	0.027	18%	0.177	C	C	.	.			trans	-94.4	145.8	172	-61.8	-66.8	0	0	0	111.6	L278 Y783 T811 R815 P855 A857 A863	L278-Y807 WeakPolarHBondContact O-CE2 3.18Å; L278-Y807 PolarHBondContact O-OH 3.41Å; Y783-Y807 PolarHBondContact OH-O 3.06Å; Y807-T811 HydrophobicContact CD1-CG2 3.66Å; Y807-T811 HydrophobicContact CE1-CG2 4.3Å; Y807-R815 PolarHBondContact OH-NE 3.31Å; Y807-R815 PolarHBondContact OH-NH1 3.32Å; Y807-R815 PolarHBondContact OH-NH2 2.83Å; Y807-P855 HydrophobicContact CD2-CB 4.4Å; Y807-P855 HydrophobicContact CE2-CB 4.39Å; Y807-A857 HydrophobicContact CD1-CB 3.57Å; Y807-A857 HydrophobicContact CD2-CB 3.82Å; Y807-A857 HydrophobicContact CE1-CB 3.34Å; Y807-A857 HydrophobicContact CE2-CB 3.61Å; Y807-A857 HydrophobicContact CG-CB 3.81Å; Y807-A857 WeakPolarHBondContact OH-CA 3.41Å; Y807-A863 WeakPolarHBondContact O-CB 3.16Å
808	T	96.4	Very high	95.1	Very high	9 Å²	9	37.2 Å²	37.2	6%	0.055	20%	0.196	C	C	.	.			trans	-67.3	155.8	158.5	63.3	0	0	0	0	110	A810 T811 K812 A863 Q884	T808-A810 PolarHBondContact O-N 3.01Å; T808-T811 PolarHBondContact O-N 3.37Å; T808-T811 VanDerWaalsContact O-N 3.12Å; T808-T811 WeakPolarHBondContact OG1-CB 3.27Å; T808-T811 PolarHBondContact OG1-N 3.25Å; T808-T811 PolarHBondContact OG1-OG1 2.93Å; T808-K812 WeakPolarHBondContact O-CB 3.17Å; T808-K812 PolarHBondContact O-N 2.86Å; T808-A863 HydrophobicContact CG2-CB 4.01Å; T808-Q884 HydrophobicContact CG2-CB 4.45Å; T808-Q884 PolarHBondContact OG1-OE1 2.99Å
809	E	93.1	Very high	94.6	Very high	63 Å²	63	39.6 Å²	39.6	29%	0.294	21%	0.208	S	C	.	.	H	α-helix	trans	-56.8	-38.2	176.2	-67.4	-54.6	139.8	0	0	112.5	Q782 K812 A813	Q782-E809 PolarHBondContact NE2-OE1 3.23Å; E809-K812 PolarHBondContact O-N 3.26Å; E809-K812 IonicContact OE1-NZ 2.74Å; E809-K812 PolarHBondContact OE1-NZ 3.5Å; E809-K812 IonicContact OE2-NZ 3.61Å; E809-K812 PolarHBondContact OE2-NZ 2.84Å; E809-A813 WeakPolarHBondContact O-CB 3.16Å; E809-A813 PolarHBondContact O-N 2.8Å
810	A	94.6	Very high	94.1	Very high	65 Å²	65	39.8 Å²	39.8	54%	0.537	21%	0.209	S	C	.	.	H	α-helix	trans	-62	-46.1	175.8	0	0	0	0	0	112.1	T808 A813 Q814	T808-A810 PolarHBondContact O-N 3.01Å; A810-A813 PolarHBondContact O-N 3.09Å; A810-Q814 WeakPolarHBondContact O-CB 3.32Å; A810-Q814 PolarHBondContact O-N 3.28Å
811	T	94.3	Very high	93.8	Very high	26 Å²	26	44.4 Å²	44.4	16%	0.16	23%	0.231	C	C	.	.	H	α-helix	trans	-67.9	-38.1	178.6	-52.9	0	0	0	0	111.4	Y807 T808 Q814 R815 Q884	Y807-T811 HydrophobicContact CD1-CG2 3.66Å; Y807-T811 HydrophobicContact CE1-CG2 4.3Å; T808-T811 PolarHBondContact O-N 3.37Å; T808-T811 VanDerWaalsContact O-N 3.12Å; T808-T811 WeakPolarHBondContact OG1-CB 3.27Å; T808-T811 PolarHBondContact OG1-N 3.25Å; T808-T811 PolarHBondContact OG1-OG1 2.93Å; T811-Q814 PolarHBondContact O-N 3.16Å; T811-R815 PolarHBondContact O-N 2.9Å; T811-Q884 HydrophobicContact CG2-CG 4.49Å; T811-Q884 PolarHBondContact OG1-OE1 2.79Å; T811-Q884 VanDerWaalsContact OG1-OE1 3.08Å
812	K	92.3	Very high	93.3	Very high	15 Å²	15	50.2 Å²	50.2	7%	0.065	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-47.5	176.3	-168.9	-171.8	-61	166.3	0	111.2	L278 T808 E809 Q814 R815 K816 E849	L278-K812 HydrophobicContact CD1-CG 3.73Å; T808-K812 WeakPolarHBondContact O-CB 3.17Å; T808-K812 PolarHBondContact O-N 2.86Å; E809-K812 PolarHBondContact O-N 3.26Å; E809-K812 IonicContact OE1-NZ 2.74Å; E809-K812 PolarHBondContact OE1-NZ 3.5Å; E809-K812 IonicContact OE2-NZ 3.61Å; E809-K812 PolarHBondContact OE2-NZ 2.84Å; K812-Q814 VanDerWaalsContact C-N 3.34Å; K812-Q814 PolarHBondContact O-N 2.73Å; K812-R815 PolarHBondContact O-N 3.49Å; K812-K816 WeakPolarHBondContact O-CG 3.46Å; K812-K816 PolarHBondContact O-N 2.86Å; K812-E849 WeakPolarHBondContact CE-OE1 3.32Å; K812-E849 IonicContact NZ-OE1 3.54Å; K812-E849 PolarHBondContact NZ-OE1 3.44Å; K812-E849 IonicContact NZ-OE2 3.96Å; K812-E849 PolarHBondContact NZ-OE2 3.24Å
813	A	92.6	Very high	92.7	Very high	60 Å²	60	52.2 Å²	52.2	50%	0.496	27%	0.268	S	S	.	.	H	α-helix	trans	-61.3	-42.1	176.2	0	0	0	0	0	111.9	E809 A810 K816 Q817	E809-A813 WeakPolarHBondContact O-CB 3.16Å; E809-A813 PolarHBondContact O-N 2.8Å; A810-A813 PolarHBondContact O-N 3.09Å; A813-K816 PolarHBondContact O-N 3.19Å; A813-Q817 PolarHBondContact O-N 3.26Å
814	Q	94	Very high	92.3	Very high	116 Å²	116	53 Å²	53	54%	0.542	27%	0.273	S	S	.	.	H	α-helix	trans	-61.9	-44.4	175.6	-175.9	179.9	5	0	0	112.1	A810 T811 K812 Q817 Q818	A810-Q814 WeakPolarHBondContact O-CB 3.32Å; A810-Q814 PolarHBondContact O-N 3.28Å; T811-Q814 PolarHBondContact O-N 3.16Å; K812-Q814 VanDerWaalsContact C-N 3.34Å; K812-Q814 PolarHBondContact O-N 2.73Å; Q814-Q817 WeakPolarHBondContact O-CB 3.3Å; Q814-Q817 PolarHBondContact O-N 2.94Å; Q814-Q818 WeakPolarHBondContact O-CG 3.28Å; Q814-Q818 PolarHBondContact O-N 2.97Å
815	R	90.8	Very high	92	Very high	87 Å²	87	57.6 Å²	57.6	33%	0.328	30%	0.295	S	S	.	.	H	α-helix	trans	-66.8	-41.8	178	-79.6	-157.2	175.8	-152	8.3	112.9	L278 Y807 T811 K812 Q817 Q818 M819	L278-R815 HydrophobicContact CD2-CB 4.24Å; Y807-R815 PolarHBondContact OH-NE 3.31Å; Y807-R815 PolarHBondContact OH-NH1 3.32Å; Y807-R815 PolarHBondContact OH-NH2 2.83Å; T811-R815 PolarHBondContact O-N 2.9Å; K812-R815 PolarHBondContact O-N 3.49Å; R815-Q817 PolarHBondContact O-N 2.88Å; R815-Q818 PolarHBondContact O-N 2.87Å; R815-M819 PolarHBondContact O-N 3.48Å
816	K	91.3	Very high	91.5	Very high	49 Å²	49	60.3 Å²	60.3	21%	0.213	32%	0.322	C	S	.	.	H	α-helix	trans	-55.2	-44.7	172.7	-78.3	-166.5	171.7	-165.2	0	111.1	L278 K812 A813 A820 F842 L843 E845	L278-K816 HydrophobicContact CD1-CD 4.24Å; L278-K816 HydrophobicContact CD1-CG 3.61Å; L278-K816 HydrophobicContact CD2-CG 3.92Å; L278-K816 HydrophobicContact CG-CG 4.27Å; K812-K816 WeakPolarHBondContact O-CG 3.46Å; K812-K816 PolarHBondContact O-N 2.86Å; A813-K816 PolarHBondContact O-N 3.19Å; K816-A820 WeakPolarHBondContact O-CB 3.41Å; K816-A820 PolarHBondContact O-N 3.44Å; K816-F842 HydrophobicContact CB-CE1 4.29Å; K816-F842 HydrophobicContact CG-CE1 4.37Å; K816-F842 HydrophobicContact CG-CZ 4.17Å; K816-L843 HydrophobicContact CB-CD2 4.11Å; K816-E845 PolarHBondContact NZ-O 2.99Å
817	Q	92.9	Very high	90.9	Very high	85 Å²	85	60.9 Å²	60.9	40%	0.397	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-45.1	177.6	-174.8	61	36.1	0	0	112.2	A813 Q814 R815 A820 E821	A813-Q817 PolarHBondContact O-N 3.26Å; Q814-Q817 WeakPolarHBondContact O-CB 3.3Å; Q814-Q817 PolarHBondContact O-N 2.94Å; R815-Q817 PolarHBondContact O-N 2.88Å; Q817-A820 PolarHBondContact O-N 2.91Å; Q817-E821 WeakPolarHBondContact CG-OE1 3.32Å; Q817-E821 PolarHBondContact NE2-OE1 3.15Å; Q817-E821 WeakPolarHBondContact O-CG 3.43Å; Q817-E821 PolarHBondContact O-N 2.79Å
818	Q	90.9	Very high	90.4	Very high	84 Å²	84	62.6 Å²	62.6	39%	0.393	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-47.3	178.4	-73.2	172.1	-20.8	0	0	112.2	Q814 R815 A820 E821 E822	Q814-Q818 WeakPolarHBondContact O-CG 3.28Å; Q814-Q818 PolarHBondContact O-N 2.97Å; R815-Q818 PolarHBondContact O-N 2.87Å; Q818-A820 VanDerWaalsContact C-N 3.31Å; Q818-A820 PolarHBondContact O-N 2.84Å; Q818-E821 WeakPolarHBondContact O-CB 3.14Å; Q818-E821 PolarHBondContact O-N 3.1Å; Q818-E822 WeakPolarHBondContact O-CG 3.34Å; Q818-E822 PolarHBondContact O-N 2.71Å
819	M	88	Confident	89.7	Confident	51 Å²	51	70.8 Å²	70.8	25%	0.251	38%	0.384	S	S	.	.	H	α-helix	trans	-62.8	-38.6	177.4	-73.8	179.8	67.3	0	0	112.1	L278 R815 E821 E822 M823 F842	L278-M819 HydrophobicContact CD2-SD 3.56Å; L278-M819 VanDerWaalsContact CD2-SD 3.56Å; R815-M819 PolarHBondContact O-N 3.48Å; M819-E821 VanDerWaalsContact C-N 3.33Å; M819-E821 PolarHBondContact O-N 3.07Å; M819-E822 PolarHBondContact O-N 2.7Å; M819-M823 WeakPolarHBondContact O-CB 3.31Å; M819-M823 VanDerWaalsContact O-CG 3.22Å; M819-M823 WeakPolarHBondContact O-CG 3.4Å; M819-M823 PolarHBondContact O-N 3.17Å; M819-F842 HydrophobicContact CB-CE1 3.97Å; M819-F842 HydrophobicContact CE-CZ 4.5Å
820	A	89.8	Confident	89.3	Confident	5 Å²	5	75.7 Å²	75.7	4%	0.041	41%	0.412	C	S	.	.	H	α-helix	trans	-63.5	-38.9	175.3	0	0	0	0	0	112.2	K816 Q817 Q818 V824 A839 F842 L843	K816-A820 WeakPolarHBondContact O-CB 3.41Å; K816-A820 PolarHBondContact O-N 3.44Å; Q817-A820 PolarHBondContact O-N 2.91Å; Q818-A820 VanDerWaalsContact C-N 3.31Å; Q818-A820 PolarHBondContact O-N 2.84Å; A820-V824 WeakPolarHBondContact O-CG2 3.47Å; A820-V824 PolarHBondContact O-N 3.03Å; A820-A839 HydrophobicContact CB-CB 4.06Å; A820-A839 WeakPolarHBondContact O-CB 3.13Å; A820-F842 HydrophobicContact CB-CD1 4.33Å; A820-L843 HydrophobicContact CB-CD1 3.74Å; A820-L843 HydrophobicContact CB-CD2 3.77Å; A820-L843 HydrophobicContact CB-CG 3.63Å
821	E	91.4	Very high	88.9	Confident	97 Å²	97	78.6 Å²	78.6	45%	0.453	41%	0.414	S	S	.	.	H	α-helix	trans	-66	-46.5	174.4	-72.9	167.5	-170.9	0	0	111.3	Q817 Q818 M819 M823 V824 E825	Q817-E821 WeakPolarHBondContact CG-OE1 3.32Å; Q817-E821 PolarHBondContact NE2-OE1 3.15Å; Q817-E821 WeakPolarHBondContact O-CG 3.43Å; Q817-E821 PolarHBondContact O-N 2.79Å; Q818-E821 WeakPolarHBondContact O-CB 3.14Å; Q818-E821 PolarHBondContact O-N 3.1Å; M819-E821 VanDerWaalsContact C-N 3.33Å; M819-E821 PolarHBondContact O-N 3.07Å; E821-M823 VanDerWaalsContact C-N 3.34Å; E821-M823 PolarHBondContact O-N 2.84Å; E821-V824 PolarHBondContact O-N 2.85Å; E821-V824 VanDerWaalsContact O-N 3.11Å; E821-E825 WeakPolarHBondContact O-CG 3.25Å; E821-E825 PolarHBondContact O-N 2.52Å
822	E	88.6	Confident	88.4	Confident	121 Å²	121	84 Å²	84	57%	0.565	43%	0.432	S	S	*	.	H	α-helix	trans	-60.5	-39.9	177	-72.2	171.8	-175.6	0	0	112.2	Q818 M819 V824 E825 A826	Q818-E822 WeakPolarHBondContact O-CG 3.34Å; Q818-E822 PolarHBondContact O-N 2.71Å; M819-E822 PolarHBondContact O-N 2.7Å; E822-V824 VanDerWaalsContact C-N 3.28Å; E822-V824 PolarHBondContact O-N 2.82Å; E822-E825 PolarHBondContact O-N 2.84Å; E822-A826 VanDerWaalsContact O-CB 3.3Å; E822-A826 WeakPolarHBondContact O-CB 3.42Å; E822-A826 PolarHBondContact O-N 2.86Å
823	M	85.8	Confident	88	Confident	42 Å²	42	90.8 Å²	90.8	21%	0.207	46%	0.464	C	S	.	.	H	α-helix	trans	-58	-39.1	174.2	-76.2	173.1	71.3	0	0	112.3	M819 E821 M838 A839 F842	M819-M823 WeakPolarHBondContact O-CB 3.31Å; M819-M823 VanDerWaalsContact O-CG 3.22Å; M819-M823 WeakPolarHBondContact O-CG 3.4Å; M819-M823 PolarHBondContact O-N 3.17Å; E821-M823 VanDerWaalsContact C-N 3.34Å; E821-M823 PolarHBondContact O-N 2.84Å; M823-M838 HydrophobicContact CE-CB 3.9Å; M823-A839 HydrophobicContact CB-CB 4.44Å; M823-F842 HydrophobicContact SD-CD1 4.38Å
824	V	88.3	Confident	87.7	Confident	32 Å²	32	92.7 Å²	92.7	19%	0.194	47%	0.465	C	S	.	.	H	α-helix	trans	-78.4	-34	179.6	178	0	0	0	0	111.8	A820 E821 E822 R832 A836 A839	A820-V824 WeakPolarHBondContact O-CG2 3.47Å; A820-V824 PolarHBondContact O-N 3.03Å; E821-V824 PolarHBondContact O-N 2.85Å; E821-V824 VanDerWaalsContact O-N 3.11Å; E822-V824 VanDerWaalsContact C-N 3.28Å; E822-V824 PolarHBondContact O-N 2.82Å; V824-R832 HydrophobicContact CG1-CG 4.2Å; V824-A836 HydrophobicContact CG2-CB 4.3Å; V824-A839 HydrophobicContact CG2-CB 3.72Å
825	E	89.1	Confident	87.3	Confident	154 Å²	154	87.3 Å²	87.3	72%	0.72	44%	0.441	S	S	*	.	H	α-helix	trans	-73.8	-33.7	178.1	-72.3	-171.6	169.9	0	0	113.1	E821 E822 A827	E821-E825 WeakPolarHBondContact O-CG 3.25Å; E821-E825 PolarHBondContact O-N 2.52Å; E822-E825 PolarHBondContact O-N 2.84Å; E825-A827 VanDerWaalsContact C-N 3.31Å
826	A	85.8	Confident	87.1	Confident	90 Å²	90	85.3 Å²	85.3	74%	0.744	44%	0.443	S	S	*	.	H	α-helix	trans	-74.3	-19.4	178.1	0	0	0	0	0	113.4	E822	E822-A826 VanDerWaalsContact O-CB 3.3Å; E822-A826 WeakPolarHBondContact O-CB 3.42Å; E822-A826 PolarHBondContact O-N 2.86Å
827	A	83.6	Confident	86.9	Confident	21 Å²	21	88.9 Å²	88.9	17%	0.174	46%	0.46	C	S	.	.	S	Bend	trans	-74.5	137.9	-179.6	0	0	0	0	0	112.4	E825 E831 A835	E825-A827 VanDerWaalsContact C-N 3.31Å; A827-E831 HydrophobicContact CB-CB 4.37Å; A827-A835 HydrophobicContact CB-CB 3.34Å
828	G	85	Confident	86.5	Confident	42 Å²	42	88.9 Å²	88.9	43%	0.433	46%	0.461	S	S	.	.			trans	-62.8	162.3	172.6	0	0	0	0	0	112.5	D830 E831 R832	G828-D830 PolarHBondContact O-N 2.91Å; G828-D830 VanDerWaalsContact O-N 3.11Å; G828-E831 PolarHBondContact O-N 2.84Å; G828-R832 PolarHBondContact O-N 3.1Å; G828-R832 VanDerWaalsContact O-N 3.09Å
829	E	81.9	Confident	86.3	Confident	182 Å²	182	85.1 Å²	85.1	85%	0.85	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-37.1	-178.9	-72.1	-171.7	160.2	0	0	112.9
830	D	83.6	Confident	86.3	Confident	166 Å²	166	84.9 Å²	84.9	89%	0.888	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-22.5	-179.6	-63.6	-29.2	0	0	0	113.6	G828	G828-D830 PolarHBondContact O-N 2.91Å; G828-D830 VanDerWaalsContact O-N 3.11Å
831	E	86	Confident	86	Confident	125 Å²	125	87.6 Å²	87.6	58%	0.584	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-3.5	-176.6	-67.3	-177.7	170.3	0	0	113.1	A827 G828 E833 L834 A835	A827-E831 HydrophobicContact CB-CB 4.37Å; G828-E831 PolarHBondContact O-N 2.84Å; E831-E833 VanDerWaalsContact C-N 3.3Å; E831-E833 PolarHBondContact O-N 2.89Å; E831-L834 PolarHBondContact O-N 2.85Å; E831-L834 VanDerWaalsContact O-N 3.15Å; E831-A835 WeakPolarHBondContact O-CB 3.33Å; E831-A835 PolarHBondContact O-N 3.05Å
832	R	84	Confident	85.7	Confident	139 Å²	139	83.5 Å²	83.5	53%	0.525	45%	0.454	S	S	.	.	H	α-helix	trans	-61.2	-34.9	-170.8	-162.4	172	-170.7	161.4	6.5	114	V824 G828 A836	V824-R832 HydrophobicContact CG1-CG 4.2Å; G828-R832 PolarHBondContact O-N 3.1Å; G828-R832 VanDerWaalsContact O-N 3.09Å; R832-A836 WeakPolarHBondContact O-CB 3.27Å; R832-A836 PolarHBondContact O-N 3.41Å
833	E	85.3	Confident	85.6	Confident	159 Å²	159	80.9 Å²	80.9	74%	0.743	44%	0.443	S	S	*	.	H	α-helix	trans	-67.8	-45.6	176.7	-170.2	169.6	-162.3	0	0	111.1	E831 A835 A836 E837	E831-E833 VanDerWaalsContact C-N 3.3Å; E831-E833 PolarHBondContact O-N 2.89Å; E833-A835 PolarHBondContact O-N 2.79Å; E833-A836 PolarHBondContact O-N 2.8Å; E833-E837 PolarHBondContact O-N 3.36Å
834	L	86.1	Confident	85.5	Confident	99 Å²	99	85.4 Å²	85.4	52%	0.518	47%	0.468	S	S	.	.	H	α-helix	trans	-63.1	-41.8	175.4	-174.7	71.9	0	0	0	111.5	E831 A836 E837 M838	E831-L834 PolarHBondContact O-N 2.85Å; E831-L834 VanDerWaalsContact O-N 3.15Å; L834-A836 VanDerWaalsContact C-N 3.33Å; L834-A836 PolarHBondContact O-N 2.76Å; L834-E837 PolarHBondContact O-N 3.36Å; L834-M838 HydrophobicContact CG-CE 4.27Å; L834-M838 WeakPolarHBondContact O-CG 3.4Å; L834-M838 PolarHBondContact O-N 3.44Å
835	A	85	Confident	85.3	Confident	4 Å²	4	86 Å²	86	3%	0.033	47%	0.469	C	S	.	.	H	α-helix	trans	-63.2	-39.2	176.3	0	0	0	0	0	112.2	A827 E831 E833 M838 A839	A827-A835 HydrophobicContact CB-CB 3.34Å; E831-A835 WeakPolarHBondContact O-CB 3.33Å; E831-A835 PolarHBondContact O-N 3.05Å; E833-A835 PolarHBondContact O-N 2.79Å; A835-M838 PolarHBondContact O-N 3.48Å; A835-A839 VanDerWaalsContact O-CB 3.24Å; A835-A839 WeakPolarHBondContact O-CB 3.42Å; A835-A839 PolarHBondContact O-N 3.41Å
836	A	86.9	Confident	85	Confident	45 Å²	45	85.4 Å²	85.4	37%	0.372	47%	0.47	S	S	.	.	H	α-helix	trans	-64.9	-39.4	174.1	0	0	0	0	0	112.3	V824 R832 E833 L834 A840	V824-A836 HydrophobicContact CG2-CB 4.3Å; R832-A836 WeakPolarHBondContact O-CB 3.27Å; R832-A836 PolarHBondContact O-N 3.41Å; E833-A836 PolarHBondContact O-N 2.8Å; L834-A836 VanDerWaalsContact C-N 3.33Å; L834-A836 PolarHBondContact O-N 2.76Å; A836-A840 VanDerWaalsContact O-CB 3.31Å; A836-A840 WeakPolarHBondContact O-CB 3.3Å; A836-A840 PolarHBondContact O-N 3.37Å
837	E	87.2	Confident	85	Confident	124 Å²	124	83.4 Å²	83.4	58%	0.579	45%	0.447	S	S	*	.	H	α-helix	trans	-63.5	-44.6	173.1	-71.5	-174.9	166.5	0	0	112	E833 L834 A840 A841	E833-E837 PolarHBondContact O-N 3.36Å; L834-E837 PolarHBondContact O-N 3.36Å; E837-A840 PolarHBondContact O-N 2.79Å; E837-A841 WeakPolarHBondContact O-CB 3.32Å; E837-A841 PolarHBondContact O-N 3.26Å
838	M	84.8	Confident	85.4	Confident	84 Å²	84	85.3 Å²	85.3	41%	0.414	46%	0.458	S	S	.	.	H	α-helix	trans	-64.7	-42.6	176.6	-71.6	-170.2	-66.1	0	0	112.4	M823 L834 A835 A840 A841 F842	M823-M838 HydrophobicContact CE-CB 3.9Å; L834-M838 HydrophobicContact CG-CE 4.27Å; L834-M838 WeakPolarHBondContact O-CG 3.4Å; L834-M838 PolarHBondContact O-N 3.44Å; A835-M838 PolarHBondContact O-N 3.48Å; M838-A840 VanDerWaalsContact C-N 3.34Å; M838-A841 PolarHBondContact O-N 3.26Å; M838-F842 WeakPolarHBondContact O-CB 2.75Å; M838-F842 PolarHBondContact O-N 2.83Å
839	A	86.1	Confident	85.8	Confident	6 Å²	6	85.3 Å²	85.3	5%	0.05	45%	0.446	C	S	.	.	H	α-helix	trans	-62	-42.7	175.4	0	0	0	0	0	111.2	A820 M823 V824 A835 F842 L843	A820-A839 HydrophobicContact CB-CB 4.06Å; A820-A839 WeakPolarHBondContact O-CB 3.13Å; M823-A839 HydrophobicContact CB-CB 4.44Å; V824-A839 HydrophobicContact CG2-CB 3.72Å; A835-A839 VanDerWaalsContact O-CB 3.24Å; A835-A839 WeakPolarHBondContact O-CB 3.42Å; A835-A839 PolarHBondContact O-N 3.41Å; A839-F842 PolarHBondContact O-N 3.34Å; A839-L843 WeakPolarHBondContact O-CG 3.31Å; A839-L843 PolarHBondContact O-N 3.04Å
840	A	87.1	Confident	86.2	Confident	45 Å²	45	79.5 Å²	79.5	37%	0.372	43%	0.426	S	S	.	.	H	α-helix	trans	-65	-38.6	174.5	0	0	0	0	0	112.4	A836 E837 M838 N844	A836-A840 VanDerWaalsContact O-CB 3.31Å; A836-A840 WeakPolarHBondContact O-CB 3.3Å; A836-A840 PolarHBondContact O-N 3.37Å; E837-A840 PolarHBondContact O-N 2.79Å; M838-A840 VanDerWaalsContact C-N 3.34Å; A840-N844 WeakPolarHBondContact O-CB 3.36Å; A840-N844 PolarHBondContact O-N 3.19Å; A840-N844 VanDerWaalsContact O-N 3.12Å; A840-N844 PolarHBondContact O-ND2 3.29Å
841	A	85.1	Confident	86.6	Confident	62 Å²	62	75.3 Å²	75.3	51%	0.512	40%	0.403	S	S	.	.	H	α-helix	trans	-63.9	-44.5	174.5	0	0	0	0	0	111.6	E837 M838 N844 E845	E837-A841 WeakPolarHBondContact O-CB 3.32Å; E837-A841 PolarHBondContact O-N 3.26Å; M838-A841 PolarHBondContact O-N 3.26Å; A841-N844 CarbonylContact O-C 3.56Å; A841-N844 PolarHBondContact O-N 3.13Å; A841-E845 PolarHBondContact O-N 2.91Å
842	F	84.8	Confident	86.9	Confident	12 Å²	12	69.7 Å²	69.7	5%	0.053	38%	0.376	C	S	.	.	H	α-helix	trans	-61.2	-44	175.9	171.1	-115	0	0	0	112.7	N276 L278 K816 M819 A820 M823 M838 A839 N844 E845	N276-F842 HydrophobicContact CB-CD2 3.47Å; N276-F842 VanDerWaalsContact CB-CD2 3.47Å; N276-F842 HydrophobicContact CB-CE2 3.44Å; N276-F842 VanDerWaalsContact CB-CE2 3.44Å; N276-F842 HydrophobicContact CB-CG 4.17Å; N276-F842 HydrophobicContact CB-CZ 4.11Å; N276-F842 WeakPolarHBondContact O-CE2 3.22Å; L278-F842 HydrophobicContact CD2-CZ 4.16Å; K816-F842 HydrophobicContact CB-CE1 4.29Å; K816-F842 HydrophobicContact CG-CE1 4.37Å; K816-F842 HydrophobicContact CG-CZ 4.17Å; M819-F842 HydrophobicContact CB-CE1 3.97Å; M819-F842 HydrophobicContact CE-CZ 4.5Å; A820-F842 HydrophobicContact CB-CD1 4.33Å; M823-F842 HydrophobicContact SD-CD1 4.38Å; M838-F842 WeakPolarHBondContact O-CB 2.75Å; M838-F842 PolarHBondContact O-N 2.83Å; A839-F842 PolarHBondContact O-N 3.34Å; F842-N844 VanDerWaalsContact C-N 3.25Å; F842-N844 PolarHBondContact O-N 3.47Å; F842-E845 WeakPolarHBondContact O-CB 3.32Å; F842-E845 PolarHBondContact O-N 3.48Å; F842-E845 VanDerWaalsContact O-N 3.15Å
843	L	85.9	Confident	87.3	Confident	66 Å²	66	63.9 Å²	63.9	35%	0.346	36%	0.36	S	S	.	.	H	α-helix	trans	-62.9	-32.7	175.9	-72.2	174.6	0	0	0	112.7	K816 A820 A839	K816-L843 HydrophobicContact CB-CD2 4.11Å; A820-L843 HydrophobicContact CB-CD1 3.74Å; A820-L843 HydrophobicContact CB-CD2 3.77Å; A820-L843 HydrophobicContact CB-CG 3.63Å; A839-L843 WeakPolarHBondContact O-CG 3.31Å; A839-L843 PolarHBondContact O-N 3.04Å
844	N	85	Confident	87.6	Confident	136 Å²	136	57.3 Å²	57.3	73%	0.727	33%	0.333	S	S	*	.	H	α-helix	trans	-83.4	-12.1	177.1	-73.7	-42.7	0	0	0	113.4	A840 A841 F842 N846	A840-N844 WeakPolarHBondContact O-CB 3.36Å; A840-N844 PolarHBondContact O-N 3.19Å; A840-N844 VanDerWaalsContact O-N 3.12Å; A840-N844 PolarHBondContact O-ND2 3.29Å; A841-N844 CarbonylContact O-C 3.56Å; A841-N844 PolarHBondContact O-N 3.13Å; F842-N844 VanDerWaalsContact C-N 3.25Å; F842-N844 PolarHBondContact O-N 3.47Å; N844-N846 PolarHBondContact O-N 2.82Å
845	E	83.7	Confident	87.9	Confident	46 Å²	46	53.5 Å²	53.5	22%	0.215	31%	0.314	C	S	.	.			trans	-72	122.7	179.7	-172.6	176.1	-166.4	0	0	111.3	Q388 K816 A841 F842 L847	Q388-E845 PolarHBondContact NE2-OE1 2.81Å; Q388-E845 PolarHBondContact NE2-OE2 2.84Å; K816-E845 PolarHBondContact NZ-O 2.99Å; A841-E845 PolarHBondContact O-N 2.91Å; F842-E845 WeakPolarHBondContact O-CB 3.32Å; F842-E845 PolarHBondContact O-N 3.48Å; F842-E845 VanDerWaalsContact O-N 3.15Å; E845-L847 HydrophobicContact CG-CG 4.15Å; E845-L847 WeakPolarHBondContact OE1-CD1 3.31Å; E845-L847 WeakPolarHBondContact OE1-CG 3.48Å
846	N	82.4	Confident	88.3	Confident	140 Å²	140	56.2 Å²	56.2	75%	0.749	33%	0.325	S	S	*	.			trans	-128.7	78.6	178.5	-169.3	19.1	0	0	0	110.6	N844 P848	N844-N846 PolarHBondContact O-N 2.82Å; N846-P848 WeakPolarHBondContact O-CD 3.42Å
847	L	86.5	Confident	88.6	Confident	48 Å²	48	54.3 Å²	54.3	25%	0.251	31%	0.31	S	S	.	.			trans	-70.5	122.5	171	-67.6	175.1	0	0	0	109.7	P389 E845 E849 F852	P389-L847 HydrophobicContact CB-CD1 3.84Å; P389-L847 HydrophobicContact CG-CD1 4.02Å; E845-L847 HydrophobicContact CG-CG 4.15Å; E845-L847 WeakPolarHBondContact OE1-CD1 3.31Å; E845-L847 WeakPolarHBondContact OE1-CG 3.48Å; L847-E849 PolarHBondContact O-N 3.27Å; L847-E849 VanDerWaalsContact O-N 3.11Å; L847-F852 HydrophobicContact CB-CB 4.36Å; L847-F852 HydrophobicContact CB-CD2 3.81Å; L847-F852 HydrophobicContact CB-CE2 4.41Å; L847-F852 HydrophobicContact CB-CG 4.16Å; L847-F852 HydrophobicContact CD2-CD2 4.09Å; L847-F852 HydrophobicContact CD2-CE2 3.91Å; L847-F852 HydrophobicContact CD2-CG 4.47Å; L847-F852 HydrophobicContact CD2-CZ 4.14Å; L847-F852 HydrophobicContact CG-CD2 4.44Å
848	P	91.8	Very high	88.7	Confident	62 Å²	62	48.8 Å²	48.8	40%	0.403	29%	0.286	S	S	.	.			trans	-60.8	115.4	177.9	-24.1	33.9	0	0	0	112.1	N846 S850 I851 F852	N846-P848 WeakPolarHBondContact O-CD 3.42Å; P848-S850 PolarHBondContact O-N 2.86Å; P848-S850 VanDerWaalsContact O-N 3.17Å; P848-I851 HydrophobicContact CB-CD1 4.23Å; P848-I851 HydrophobicContact CB-CG1 4.36Å; P848-I851 HydrophobicContact CG-CD1 4.43Å; P848-I851 PolarHBondContact O-N 3.11Å; P848-F852 WeakPolarHBondContact O-CD2 3.38Å; P848-F852 PolarHBondContact O-N 2.81Å
849	E	92.4	Very high	88.8	Confident	41 Å²	41	51.8 Å²	51.8	19%	0.192	30%	0.303	C	S	.	.	H	α-helix	trans	-64.1	-23.4	-176.8	-59.8	-168.9	161.3	0	0	113.4	P431 K812 L847 I851 G853 A854 P855	P431-E849 HydrophobicContact CB-CB 3.75Å; P431-E849 HydrophobicContact CG-CB 3.89Å; P431-E849 WeakPolarHBondContact CG-O 3.37Å; K812-E849 WeakPolarHBondContact CE-OE1 3.32Å; K812-E849 IonicContact NZ-OE1 3.54Å; K812-E849 PolarHBondContact NZ-OE1 3.44Å; K812-E849 IonicContact NZ-OE2 3.96Å; K812-E849 PolarHBondContact NZ-OE2 3.24Å; L847-E849 PolarHBondContact O-N 3.27Å; L847-E849 VanDerWaalsContact O-N 3.11Å; E849-I851 PolarHBondContact O-N 3.28Å; E849-G853 CarbonylContact O-C 3.49Å; E849-G853 WeakPolarHBondContact O-CA 3.27Å; E849-G853 PolarHBondContact O-N 2.88Å; E849-A854 HydrophobicContact CB-CB 4.36Å; E849-A854 HydrophobicContact CG-CB 4.49Å; E849-A854 WeakPolarHBondContact OE2-CB 3.38Å; E849-P855 WeakPolarHBondContact OE1-CD 3.42Å
850	S	90.9	Very high	88.9	Confident	60 Å²	60	52 Å²	52	42%	0.42	31%	0.307	S	S	.	.	H	α-helix	trans	-62.3	-30	173.1	53.3	0	0	0	0	112	P431 R432 P848	P431-S850 WeakPolarHBondContact O-CB 3.41Å; R432-S850 WeakPolarHBondContact CD-O 3.18Å; R432-S850 WeakPolarHBondContact CG-O 3.4Å; R432-S850 PolarHBondContact NH1-O 3.36Å; P848-S850 PolarHBondContact O-N 2.86Å; P848-S850 VanDerWaalsContact O-N 3.17Å
851	I	90.8	Very high	89.3	Confident	78 Å²	78	52.1 Å²	52.1	40%	0.4	30%	0.299	S	S	.	.	H	α-helix	trans	-92.5	-58.1	177.6	-58.6	175.3	0	0	0	109.6	P848 E849 G853	P848-I851 HydrophobicContact CB-CD1 4.23Å; P848-I851 HydrophobicContact CB-CG1 4.36Å; P848-I851 HydrophobicContact CG-CD1 4.43Å; P848-I851 PolarHBondContact O-N 3.11Å; E849-I851 PolarHBondContact O-N 3.28Å; I851-G853 PolarHBondContact O-N 3.28Å
852	F	93.1	Very high	89.9	Confident	7 Å²	7	49.5 Å²	49.5	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-88.1	-3.2	-169	-63.2	-82.5	0	0	0	114.7	R274 T332 P389 R390 L847 P848	R274-F852 PolarHBondContact NH1-O 2.78Å; R274-F852 PolarHBondContact NH2-O 2.81Å; T332-F852 HydrophobicContact CG2-CD1 3.78Å; T332-F852 HydrophobicContact CG2-CE1 4.35Å; P389-F852 HydrophobicContact CB-CD1 3.83Å; P389-F852 HydrophobicContact CB-CE1 3.85Å; R390-F852 WeakPolarHBondContact O-CE1 3.33Å; R390-F852 WeakPolarHBondContact O-CZ 3.19Å; L847-F852 HydrophobicContact CB-CB 4.36Å; L847-F852 HydrophobicContact CB-CD2 3.81Å; L847-F852 HydrophobicContact CB-CE2 4.41Å; L847-F852 HydrophobicContact CB-CG 4.16Å; L847-F852 HydrophobicContact CD2-CD2 4.09Å; L847-F852 HydrophobicContact CD2-CE2 3.91Å; L847-F852 HydrophobicContact CD2-CG 4.47Å; L847-F852 HydrophobicContact CD2-CZ 4.14Å; L847-F852 HydrophobicContact CG-CD2 4.44Å; P848-F852 WeakPolarHBondContact O-CD2 3.38Å; P848-F852 PolarHBondContact O-N 2.81Å
853	G	91.8	Very high	90.5	Very high	18 Å²	18	48.9 Å²	48.9	19%	0.186	27%	0.274	C	S	.	.			trans	79.8	156.2	-172.9	0	0	0	0	0	112.9	E849 I851	E849-G853 CarbonylContact O-C 3.49Å; E849-G853 WeakPolarHBondContact O-CA 3.27Å; E849-G853 PolarHBondContact O-N 2.88Å; I851-G853 PolarHBondContact O-N 3.28Å
854	A	92.2	Very high	91.1	Very high	21 Å²	21	45.9 Å²	45.9	17%	0.174	26%	0.258	C	S	.	.			trans	-87.5	141.4	173.1	0	0	0	0	0	110.9	P431 E849 K856	P431-A854 HydrophobicContact CG-CB 4.15Å; E849-A854 HydrophobicContact CB-CB 4.36Å; E849-A854 HydrophobicContact CG-CB 4.49Å; E849-A854 WeakPolarHBondContact OE2-CB 3.38Å; A854-K856 PolarHBondContact O-NZ 3.19Å
855	P	92.1	Very high	91.8	Very high	18 Å²	18	39.4 Å²	39.4	12%	0.117	22%	0.224	C	C	.	.			trans	-56.1	145	176.5	-24.4	31.6	0	0	0	113.7	L278 D279 Y807 E849	L278-P855 HydrophobicContact CB-CB 3.68Å; L278-P855 HydrophobicContact CB-CG 3.78Å; L278-P855 HydrophobicContact CD1-CG 4.19Å; D279-P855 WeakPolarHBondContact OD1-CA 3.13Å; Y807-P855 HydrophobicContact CD2-CB 4.4Å; Y807-P855 HydrophobicContact CE2-CB 4.39Å; E849-P855 WeakPolarHBondContact OE1-CD 3.42Å
856	K	93.4	Very high	92.5	Very high	61 Å²	61	37.2 Å²	37.2	27%	0.265	21%	0.213	S	C	.	.			trans	-90.9	112.4	179.9	-59.6	-49.6	175.4	-134.8	0	110.6	D279 D280 N805 A854 G858	D279-K856 CarbonylContact C-O 3.49Å; D279-K856 WeakPolarHBondContact CA-O 2.95Å; D279-K856 PolarHBondContact OD1-N 2.78Å; D280-K856 PolarHBondContact N-O 3.13Å; N805-K856 WeakPolarHBondContact OD1-CA 3.44Å; N805-K856 WeakPolarHBondContact OD1-CB 3.36Å; A854-K856 PolarHBondContact O-NZ 3.19Å; K856-G858 VanDerWaalsContact C-N 3.31Å; K856-G858 PolarHBondContact O-N 2.98Å
857	A	93.1	Very high	93.2	Very high	6 Å²	6	31.6 Å²	31.6	5%	0.05	18%	0.182	C	C	.	.			trans	-75.9	-8.6	-175.3	0	0	0	0	0	116.9	N805 Y807 Q861	N805-A857 PolarHBondContact O-N 3.33Å; N805-A857 PolarHBondContact OD1-N 2.86Å; Y807-A857 HydrophobicContact CD1-CB 3.57Å; Y807-A857 HydrophobicContact CD2-CB 3.82Å; Y807-A857 HydrophobicContact CE1-CB 3.34Å; Y807-A857 HydrophobicContact CE2-CB 3.61Å; Y807-A857 HydrophobicContact CG-CB 3.81Å; Y807-A857 WeakPolarHBondContact OH-CA 3.41Å; A857-Q861 HydrophobicContact CB-CB 3.49Å; A857-Q861 VanDerWaalsContact CB-CB 3.49Å; A857-Q861 HydrophobicContact CB-CG 3.84Å; A857-Q861 WeakPolarHBondContact O-CG 3.48Å
858	G	89.9	Confident	93.8	Very high	8 Å²	8	29.3 Å²	29.3	8%	0.082	17%	0.17	C	C	.	.			trans	91.1	179.7	-171.2	0	0	0	0	0	113.6	N805 K856	N805-G858 WeakPolarHBondContact OD1-CA 3.25Å; N805-G858 PolarHBondContact OD1-N 2.86Å; N805-G858 PolarHBondContact OD1-O 2.86Å; K856-G858 VanDerWaalsContact C-N 3.31Å; K856-G858 PolarHBondContact O-N 2.98Å
859	N	86.4	Confident	94.1	Very high	146 Å²	146	26.5 Å²	26.5	78%	0.781	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	141.8	-176.2	-77.7	-26.3	0	0	0	112.7	Q861	N859-Q861 PolarHBondContact O-N 2.97Å
860	G	88.6	Confident	94.3	Very high	11 Å²	11	26.2 Å²	26.2	11%	0.113	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	2.5	176.2	0	0	0	0	0	115
861	Q	94.7	Very high	94.4	Very high	48 Å²	48	23.5 Å²	23.5	22%	0.224	13%	0.132	C	C	.	.			trans	-89.8	135.1	177.3	-63.1	-63.5	-39.6	0	0	112	H804 N805 A857 N859 N885	H804-Q861 CarbonylContact C-O 3.45Å; N805-Q861 PolarHBondContact N-O 2.84Å; A857-Q861 HydrophobicContact CB-CB 3.49Å; A857-Q861 VanDerWaalsContact CB-CB 3.49Å; A857-Q861 HydrophobicContact CB-CG 3.84Å; A857-Q861 WeakPolarHBondContact O-CG 3.48Å; N859-Q861 PolarHBondContact O-N 2.97Å; Q861-N885 VanDerWaalsContact CA-OD1 3.29Å; Q861-N885 WeakPolarHBondContact CA-OD1 3.42Å; Q861-N885 PolarHBondContact OE1-OD1 3.16Å
862	W	97.6	Very high	94.4	Very high	6 Å²	6	23.9 Å²	23.9	2%	0.023	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147.5	-179.3	-59.8	78.5	0	0	0	113.2	T802 D803 H804 A806 Q884 N885 A887 F889 L913 L915	T802-W862 HydrophobicContact CG2-CE3 3.79Å; T802-W862 HydrophobicContact CG2-CZ3 4.09Å; D803-W862 WeakPolarHBondContact O-CA 3.33Å; H804-W862 HydrophobicContact CB-CD2 4.17Å; H804-W862 HydrophobicContact CB-CE3 3.87Å; H804-W862 HydrophobicContact CB-CH2 3.64Å; H804-W862 HydrophobicContact CB-CZ2 3.94Å; H804-W862 HydrophobicContact CB-CZ3 3.61Å; H804-W862 AromaticContact CD2-CE2 3.7Å; H804-W862 AromaticContact CD2-CZ2 3.61Å; H804-W862 AromaticContact CD2-NE1 3.98Å; A806-W862 CarbonylContact O-C 3.56Å; W862-Q884 PolarHBondContact O-NE2 3.36Å; W862-N885 PolarHBondContact N-OD1 2.9Å; W862-N885 PolarHBondContact O-N 2.67Å; W862-A887 HydrophobicContact CB-CB 4.02Å; W862-A887 HydrophobicContact CD2-CB 3.73Å; W862-A887 HydrophobicContact CE3-CB 3.62Å; W862-A887 HydrophobicContact CG-CB 3.92Å; W862-A887 HydrophobicContact CZ3-CB 4.3Å; W862-F889 HydrophobicContact CH2-CZ 4.1Å; W862-F889 HydrophobicContact CZ3-CZ 4.03Å; W862-L913 HydrophobicContact CH2-CD2 4.13Å; W862-L913 HydrophobicContact CZ2-CB 4.25Å; W862-L913 HydrophobicContact CZ2-CD2 3.83Å; W862-L913 HydrophobicContact CZ2-CG 4.11Å; W862-L913 PolarHBondContact NE1-O 3.1Å; W862-L915 HydrophobicContact CH2-CD1 4.06Å; W862-L915 HydrophobicContact CH2-CD2 3.99Å; W862-L915 HydrophobicContact CH2-CG 4.14Å; W862-L915 HydrophobicContact CZ2-CD1 4.16Å; W862-L915 HydrophobicContact CZ2-CD2 4.02Å; W862-L915 HydrophobicContact CZ2-CG 3.89Å
863	A	98.3	Very high	94.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.2	171.6	0	0	0	0	0	110.2	Y783 T802 D803 A806 Y807 T808	Y783-A863 HydrophobicContact CD1-CB 4.43Å; Y783-A863 HydrophobicContact CE1-CB 3.8Å; Y783-A863 HydrophobicContact CE2-CB 4.17Å; T802-A863 WeakPolarHBondContact CA-O 3.33Å; D803-A863 PolarHBondContact N-O 3.19Å; D803-A863 PolarHBondContact O-N 3.34Å; D803-A863 VanDerWaalsContact O-N 3.13Å; A806-A863 HydrophobicContact CB-CB 4.11Å; Y807-A863 WeakPolarHBondContact O-CB 3.16Å; T808-A863 HydrophobicContact CG2-CB 4.01Å
864	S	98.5	Very high	94.4	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.014	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	149.5	177.7	-67.5	0	0	0	0	113.1	E801 T802 L882 E886 A887 A888	E801-S864 CarbonylContact O-C 3.53Å; E801-S864 WeakPolarHBondContact O-CA 3.21Å; E801-S864 WeakPolarHBondContact O-CB 3.4Å; T802-S864 WeakPolarHBondContact CB-OG 3.07Å; T802-S864 WeakPolarHBondContact CG2-OG 3.38Å; T802-S864 PolarHBondContact OG1-OG 2.79Å; S864-L882 PolarHBondContact O-N 3.01Å; S864-E886 VanDerWaalsContact CB-O 3.29Å; S864-E886 WeakPolarHBondContact CB-O 3.34Å; S864-E886 PolarHBondContact OG-O 2.9Å; S864-E886 VanDerWaalsContact OG-O 3.12Å; S864-A887 WeakPolarHBondContact OG-CA 3.26Å; S864-A888 PolarHBondContact OG-N 3.12Å; S864-A888 VanDerWaalsContact OG-N 3.13Å
865	V	98.5	Very high	94.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	155.6	170.1	-57.2	0	0	0	0	111.3	Y783 E801 L879 V880 Q881	Y783-V865 HydrophobicContact CD2-CG1 3.99Å; Y783-V865 HydrophobicContact CD2-CG2 4.14Å; Y783-V865 HydrophobicContact CE2-CG1 3.76Å; E801-V865 HydrophobicContact CB-CG2 3.78Å; E801-V865 HydrophobicContact CG-CG2 4.04Å; E801-V865 PolarHBondContact N-O 3.05Å; E801-V865 PolarHBondContact O-N 3.25Å; V865-L879 HydrophobicContact CB-CD1 3.97Å; V865-L879 HydrophobicContact CG2-CD1 3.97Å; V865-V880 CarbonylContact C-O 3.51Å; V865-V880 VanDerWaalsContact CA-O 3.31Å; V865-V880 WeakPolarHBondContact CA-O 3.15Å; V865-Q881 HydrophobicContact CG1-CG 4.02Å
866	I	98.7	Very high	94.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	119.9	168.8	-50.3	159.3	0	0	0	106.9	I798 I799 I800 V880 L882 V907 Y928 L937	I798-I866 HydrophobicContact CG2-CG2 3.88Å; I799-I866 CarbonylContact O-C 3.59Å; I799-I866 WeakPolarHBondContact O-CA 3.37Å; I800-I866 HydrophobicContact CG2-CG1 4.32Å; I866-V880 HydrophobicContact CB-CB 4.27Å; I866-V880 PolarHBondContact N-O 3.22Å; I866-V880 PolarHBondContact O-N 2.72Å; I866-L882 HydrophobicContact CD1-CD2 4.04Å; I866-V907 HydrophobicContact CD1-CB 4.19Å; I866-V907 HydrophobicContact CD1-CG1 4.25Å; I866-V907 HydrophobicContact CD1-CG2 3.74Å; I866-V907 HydrophobicContact CG1-CG1 4.39Å; I866-V907 HydrophobicContact CG1-CG2 4.16Å; I866-V907 HydrophobicContact CG2-CG2 4.43Å; I866-Y928 HydrophobicContact CD1-CE2 3.55Å; I866-Y928 WeakPolarHBondContact CD1-OH 3.29Å; I866-L937 HydrophobicContact CB-CD1 4.39Å; I866-L937 HydrophobicContact CG2-CD1 3.64Å
867	R	98.6	Very high	95.1	Very high	22 Å²	22	35 Å²	35	8%	0.083	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132	-177.3	-173.2	-177.4	-58.9	-84.2	-6	110.8	I798 I799 E801 M869 T876 L879	I798-R867 CarbonylContact C-O 3.57Å; I798-R867 WeakPolarHBondContact CA-O 3.43Å; I799-R867 HydrophobicContact CB-CB 4.37Å; I799-R867 PolarHBondContact N-O 2.97Å; I799-R867 PolarHBondContact O-N 2.81Å; E801-R867 IonicContact OE1-CZ 3.37Å; E801-R867 IonicContact OE1-NE 3.62Å; E801-R867 PolarHBondContact OE1-NE 2.88Å; E801-R867 IonicContact OE1-NH2 3.72Å; E801-R867 PolarHBondContact OE1-NH2 2.82Å; E801-R867 IonicContact OE2-NH2 2.93Å; R867-M869 HydrophobicContact CG-CB 4.41Å; R867-T876 HydrophobicContact CG-CG2 3.82Å; R867-T876 PolarHBondContact NH1-OG1 3.4Å; R867-L879 HydrophobicContact CB-CD1 3.92Å; R867-L879 HydrophobicContact CG-CD1 4.12Å
868	V	98.5	Very high	95.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123	162.8	-173.3	0	0	0	0	107.9	N796 L797 I798 L877 D878 G934 L937	N796-V868 HydrophobicContact CB-CG1 4.25Å; L797-V868 CarbonylContact O-C 3.56Å; L797-V868 VanDerWaalsContact O-CA 3.3Å; L797-V868 WeakPolarHBondContact O-CA 3.42Å; I798-V868 HydrophobicContact CG1-CG2 4.41Å; V868-L877 HydrophobicContact CB-CB 4.37Å; V868-L877 HydrophobicContact CG1-CB 4.19Å; V868-L877 HydrophobicContact CG1-CD1 4.18Å; V868-L877 PolarHBondContact O-N 3.26Å; V868-D878 HydrophobicContact CB-CB 4.03Å; V868-D878 HydrophobicContact CG2-CB 4.02Å; V868-D878 PolarHBondContact N-O 3.09Å; V868-D878 PolarHBondContact O-N 3.24Å; V868-G934 WeakPolarHBondContact CG1-O 3.49Å; V868-L937 HydrophobicContact CG2-CD1 3.84Å; V868-L937 HydrophobicContact CG2-CD2 4.22Å; V868-L937 HydrophobicContact CG2-CG 3.67Å
869	M	97.9	Very high	95.7	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.3	-174.8	179.7	-177.7	-81.2	0	0	111.1	L435 F779 L781 L797 I799 R867 P871 N875	L435-M869 HydrophobicContact CD2-SD 3.71Å; F779-M869 HydrophobicContact CB-CE 4.22Å; F779-M869 HydrophobicContact CB-SD 4.25Å; F779-M869 HydrophobicContact CD2-SD 4.43Å; L781-M869 HydrophobicContact CD2-CE 3.85Å; L797-M869 PolarHBondContact N-O 2.83Å; L797-M869 PolarHBondContact O-N 2.82Å; I799-M869 HydrophobicContact CD1-CB 4.18Å; I799-M869 HydrophobicContact CD1-SD 4.13Å; R867-M869 HydrophobicContact CG-CB 4.41Å; M869-P871 WeakPolarHBondContact O-CD 3.14Å; M869-N875 WeakPolarHBondContact CA-O 3.11Å
870	N	96.4	Very high	96.3	Very high	35 Å²	35	33.2 Å²	33.2	19%	0.187	18%	0.178	C	C	.	.			trans	-78.4	116.4	165.5	-178.1	-59.7	0	0	0	109.1	I872 Q873 G874 N875 L877	N870-I872 VanDerWaalsContact C-N 3.29Å; N870-I872 PolarHBondContact O-N 3.06Å; N870-I872 WeakPolarHBondContact OD1-CB 3.46Å; N870-I872 PolarHBondContact OD1-N 3.46Å; N870-Q873 PolarHBondContact OD1-N 2.88Å; N870-G874 VanDerWaalsContact O-CA 3.31Å; N870-G874 WeakPolarHBondContact O-CA 3.41Å; N870-G874 PolarHBondContact O-N 2.83Å; N870-N875 PolarHBondContact N-O 2.85Å; N870-L877 HydrophobicContact CB-CD1 4.25Å
871	P	93.3	Very high	96.7	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.019	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-15.5	-173.8	28.1	-34.5	0	0	0	114.8	L415 Y424 F779 N795 L797 M869	L415-P871 HydrophobicContact CB-CG 4.26Å; L415-P871 HydrophobicContact CD1-CB 4.14Å; L415-P871 HydrophobicContact CD1-CG 3.71Å; Y424-P871 HydrophobicContact CD1-CB 4.1Å; Y424-P871 HydrophobicContact CE1-CB 3.62Å; F779-P871 WeakPolarHBondContact CE2-O 3.29Å; N795-P871 WeakPolarHBondContact O-CD 3.15Å; N795-P871 VanDerWaalsContact O-CG 3.31Å; N795-P871 WeakPolarHBondContact O-CG 3.39Å; L797-P871 HydrophobicContact CD1-CB 3.83Å; L797-P871 HydrophobicContact CG-CB 3.92Å; L797-P871 HydrophobicContact CG-CG 4.15Å; M869-P871 WeakPolarHBondContact O-CD 3.14Å
872	I	90.6	Very high	96.9	Very high	87 Å²	87	35.7 Å²	35.7	45%	0.446	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-46.6	-179.5	-58.8	174.8	0	0	0	109.5	A416 N870	A416-I872 HydrophobicContact CB-CD1 4.45Å; A416-I872 HydrophobicContact CB-CG1 4.44Å; N870-I872 VanDerWaalsContact C-N 3.29Å; N870-I872 PolarHBondContact O-N 3.06Å; N870-I872 WeakPolarHBondContact OD1-CB 3.46Å; N870-I872 PolarHBondContact OD1-N 3.46Å
873	Q	91.6	Very high	96.8	Very high	127 Å²	127	41.1 Å²	41.1	59%	0.593	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-18.8	-177	-63.5	-179.6	-11	0	0	113.6	N870 N875	N870-Q873 PolarHBondContact OD1-N 2.88Å; Q873-N875 HydrophobicContact CB-CB 4.42Å; Q873-N875 PolarHBondContact O-N 3.05Å; Q873-N875 PolarHBondContact OE1-ND2 2.96Å
874	G	94.1	Very high	96.8	Very high	14 Å²	14	42.6 Å²	42.6	14%	0.144	22%	0.219	C	C	.	.			trans	77.7	1.6	-173.2	0	0	0	0	0	114.8	N870	N870-G874 VanDerWaalsContact O-CA 3.31Å; N870-G874 WeakPolarHBondContact O-CA 3.41Å; N870-G874 PolarHBondContact O-N 2.83Å
875	N	95.7	Very high	96.8	Very high	87 Å²	87	43.5 Å²	43.5	47%	0.465	22%	0.224	S	C	.	.			trans	-71.6	131.7	-175.6	-69.7	-27	0	0	0	111.1	M869 N870 Q873	M869-N875 WeakPolarHBondContact CA-O 3.11Å; N870-N875 PolarHBondContact N-O 2.85Å; Q873-N875 HydrophobicContact CB-CB 4.42Å; Q873-N875 PolarHBondContact O-N 3.05Å; Q873-N875 PolarHBondContact OE1-ND2 2.96Å
876	T	97.7	Very high	96.7	Very high	62 Å²	62	43.6 Å²	43.6	38%	0.38	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	120.6	169.3	-63.1	0	0	0	0	109.4	R867 L879	R867-T876 HydrophobicContact CG-CG2 3.82Å; R867-T876 PolarHBondContact NH1-OG1 3.4Å; T876-L879 HydrophobicContact CG2-CB 4.18Å
877	L	97.9	Very high	96.7	Very high	67 Å²	67	43.6 Å²	43.6	35%	0.351	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-36.8	-178.7	-59.6	171	0	0	0	111.7	N796 V868 N870 E935	N796-L877 HydrophobicContact CB-CD1 4.48Å; N796-L877 WeakPolarHBondContact ND2-CD1 3.15Å; V868-L877 HydrophobicContact CB-CB 4.37Å; V868-L877 HydrophobicContact CG1-CB 4.19Å; V868-L877 HydrophobicContact CG1-CD1 4.18Å; V868-L877 PolarHBondContact O-N 3.26Å; N870-L877 HydrophobicContact CB-CD1 4.25Å; L877-E935 HydrophobicContact CB-CB 4.42Å; L877-E935 WeakPolarHBondContact CB-O 3.26Å; L877-E935 HydrophobicContact CD1-CB 4.29Å; L877-E935 HydrophobicContact CD1-CG 4.08Å
878	D	98.3	Very high	96.7	Very high	33 Å²	33	42.5 Å²	42.5	18%	0.176	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	148.9	176.4	-165.1	19.1	0	0	0	110.2	V868 E935 K936 L937	V868-D878 HydrophobicContact CB-CB 4.03Å; V868-D878 HydrophobicContact CG2-CB 4.02Å; V868-D878 PolarHBondContact N-O 3.09Å; V868-D878 PolarHBondContact O-N 3.24Å; D878-E935 WeakPolarHBondContact CB-O 3.32Å; D878-K936 WeakPolarHBondContact OD2-CG 3.42Å; D878-L937 PolarHBondContact OD2-N 2.94Å
879	L	98.2	Very high	96.7	Very high	59 Å²	59	45.1 Å²	45.1	31%	0.309	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	112.2	-178	-172.9	69.9	0	0	0	110	V865 R867 T876	V865-L879 HydrophobicContact CB-CD1 3.97Å; V865-L879 HydrophobicContact CG2-CD1 3.97Å; R867-L879 HydrophobicContact CB-CD1 3.92Å; R867-L879 HydrophobicContact CG-CD1 4.12Å; T876-L879 HydrophobicContact CG2-CB 4.18Å
880	V	98.1	Very high	96.7	Very high	32 Å²	32	45 Å²	45	19%	0.194	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	115.4	178.1	-178.1	0	0	0	0	109	V865 I866 Y928 L937	V865-V880 CarbonylContact C-O 3.51Å; V865-V880 VanDerWaalsContact CA-O 3.31Å; V865-V880 WeakPolarHBondContact CA-O 3.15Å; I866-V880 HydrophobicContact CB-CB 4.27Å; I866-V880 PolarHBondContact N-O 3.22Å; I866-V880 PolarHBondContact O-N 2.72Å; V880-Y928 HydrophobicContact CG1-CE1 4.3Å; V880-Y928 HydrophobicContact CG2-CE1 4.49Å; V880-L937 HydrophobicContact CG2-CB 4.36Å; V880-L937 HydrophobicContact CG2-CD1 4.16Å
881	Q	97.7	Very high	96.8	Very high	101 Å²	101	43.5 Å²	43.5	47%	0.472	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	130	172.9	-63.5	-177.3	-8.7	0	0	110.2	V865	V865-Q881 HydrophobicContact CG1-CG 4.02Å
882	L	98	Very high	97	Very high	9 Å²	9	43.5 Å²	43.5	5%	0.047	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-85.3	160.8	172.8	-59	-172.4	0	0	0	110.8	S864 I866 E886 A888 V909 Y926	S864-L882 PolarHBondContact O-N 3.01Å; I866-L882 HydrophobicContact CD1-CD2 4.04Å; L882-E886 HydrophobicContact CB-CB 4.11Å; L882-A888 HydrophobicContact CD1-CB 4.24Å; L882-V909 HydrophobicContact CD1-CG1 4.5Å; L882-V909 HydrophobicContact CD1-CG2 3.85Å; L882-Y926 HydrophobicContact CD2-CE1 4.43Å; L882-Y926 HydrophobicContact CD2-CE2 4.35Å
883	E	97.2	Very high	97.4	Very high	121 Å²	121	40.1 Å²	40.1	57%	0.565	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-65.6	158.9	176.7	-65.4	177.2	-174	0	0	111.6	N885 E886	E883-N885 PolarHBondContact O-N 3.41Å; E883-E886 HydrophobicContact CB-CG 4.11Å; E883-E886 WeakPolarHBondContact O-CB 3.2Å; E883-E886 PolarHBondContact O-N 2.68Å; E883-E886 VanDerWaalsContact O-N 3.13Å
884	Q	97.6	Very high	97.6	Very high	31 Å²	31	34.2 Å²	34.2	15%	0.145	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	138	174.9	-172.8	63.2	40.2	0	0	110.6	A806 T808 T811 W862 E886 K911	A806-Q884 PolarHBondContact O-NE2 3.06Å; A806-Q884 VanDerWaalsContact O-NE2 3.15Å; T808-Q884 HydrophobicContact CG2-CB 4.45Å; T808-Q884 PolarHBondContact OG1-OE1 2.99Å; T811-Q884 HydrophobicContact CG2-CG 4.49Å; T811-Q884 PolarHBondContact OG1-OE1 2.79Å; T811-Q884 VanDerWaalsContact OG1-OE1 3.08Å; W862-Q884 PolarHBondContact O-NE2 3.36Å; Q884-E886 PolarHBondContact O-N 2.74Å; Q884-K911 PolarHBondContact O-NZ 2.86Å
885	N	97.5	Very high	97.7	Very high	21 Å²	21	36.8 Å²	36.8	11%	0.112	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	16.6	-177.3	-56.9	-10.8	0	0	0	115.6	Q861 W862 E883 K911 D912	Q861-N885 VanDerWaalsContact CA-OD1 3.29Å; Q861-N885 WeakPolarHBondContact CA-OD1 3.42Å; Q861-N885 PolarHBondContact OE1-OD1 3.16Å; W862-N885 PolarHBondContact N-OD1 2.9Å; W862-N885 PolarHBondContact O-N 2.67Å; E883-N885 PolarHBondContact O-N 3.41Å; N885-K911 WeakPolarHBondContact O-CA 3.29Å; N885-D912 WeakPolarHBondContact CB-OD1 3.49Å; N885-D912 PolarHBondContact ND2-OD1 3.34Å; N885-D912 PolarHBondContact O-N 2.92Å; N885-D912 VanDerWaalsContact O-N 3.09Å
886	E	98	Very high	97.8	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	105	169	-63.1	-153.6	162.7	0	0	110.4	S864 L882 E883 Q884 V909 A910 K911 F924 Y926 K942	S864-E886 VanDerWaalsContact CB-O 3.29Å; S864-E886 WeakPolarHBondContact CB-O 3.34Å; S864-E886 PolarHBondContact OG-O 2.9Å; S864-E886 VanDerWaalsContact OG-O 3.12Å; L882-E886 HydrophobicContact CB-CB 4.11Å; E883-E886 HydrophobicContact CB-CG 4.11Å; E883-E886 WeakPolarHBondContact O-CB 3.2Å; E883-E886 PolarHBondContact O-N 2.68Å; E883-E886 VanDerWaalsContact O-N 3.13Å; Q884-E886 PolarHBondContact O-N 2.74Å; E886-V909 HydrophobicContact CB-CG1 3.69Å; E886-V909 HydrophobicContact CG-CG1 4.4Å; E886-A910 WeakPolarHBondContact CA-O 3.07Å; E886-K911 HydrophobicContact CG-CD 3.79Å; E886-F924 WeakPolarHBondContact OE1-CE2 3.41Å; E886-Y926 WeakPolarHBondContact OE2-CE2 3.45Å; E886-Y926 PolarHBondContact OE2-OH 2.73Å; E886-K942 VanDerWaalsContact CD-NZ 3.33Å; E886-K942 IonicContact OE1-NZ 3.42Å; E886-K942 PolarHBondContact OE1-NZ 3.36Å; E886-K942 IonicContact OE2-NZ 3.24Å; E886-K942 PolarHBondContact OE2-NZ 3.19Å
887	A	98.1	Very high	97.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.2	-174.9	0	0	0	0	0	111.5	T802 W862 S864 F889 V909 A910	T802-A887 HydrophobicContact CG2-CB 3.88Å; W862-A887 HydrophobicContact CB-CB 4.02Å; W862-A887 HydrophobicContact CD2-CB 3.73Å; W862-A887 HydrophobicContact CE3-CB 3.62Å; W862-A887 HydrophobicContact CG-CB 3.92Å; W862-A887 HydrophobicContact CZ3-CB 4.3Å; S864-A887 WeakPolarHBondContact OG-CA 3.26Å; A887-F889 HydrophobicContact CB-CD2 4.36Å; A887-F889 HydrophobicContact CB-CE2 3.53Å; A887-F889 HydrophobicContact CB-CZ 3.94Å; A887-F889 VanDerWaalsContact O-CD2 3.26Å; A887-F889 WeakPolarHBondContact O-CD2 3.08Å; A887-V909 CarbonylContact O-C 3.58Å; A887-V909 VanDerWaalsContact O-CA 3.25Å; A887-V909 WeakPolarHBondContact O-CA 3.46Å; A887-A910 PolarHBondContact N-O 2.95Å; A887-A910 PolarHBondContact O-N 2.87Å
888	A	98.5	Very high	97.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	132	177.9	0	0	0	0	0	112.1	I800 T802 S864 L882 V907 V909	I800-A888 HydrophobicContact CB-CB 4.1Å; I800-A888 HydrophobicContact CD1-CB 4.28Å; I800-A888 HydrophobicContact CG2-CB 4.24Å; T802-A888 PolarHBondContact OG1-N 3.4Å; T802-A888 PolarHBondContact OG1-O 2.64Å; S864-A888 PolarHBondContact OG-N 3.12Å; S864-A888 VanDerWaalsContact OG-N 3.13Å; L882-A888 HydrophobicContact CD1-CB 4.24Å; A888-V907 HydrophobicContact CB-CG1 3.91Å; A888-V909 HydrophobicContact CB-CG2 4.34Å
889	F	97.6	Very high	96.7	Very high	54 Å²	54	35.7 Å²	35.7	24%	0.237	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	-22.5	-177.1	-73.1	-71.5	0	0	0	114.3	W862 A887 G908 A910 L913 V948	W862-F889 HydrophobicContact CH2-CZ 4.1Å; W862-F889 HydrophobicContact CZ3-CZ 4.03Å; A887-F889 HydrophobicContact CB-CD2 4.36Å; A887-F889 HydrophobicContact CB-CE2 3.53Å; A887-F889 HydrophobicContact CB-CZ 3.94Å; A887-F889 VanDerWaalsContact O-CD2 3.26Å; A887-F889 WeakPolarHBondContact O-CD2 3.08Å; F889-G908 PolarHBondContact N-O 3.09Å; F889-A910 HydrophobicContact CD2-CB 3.97Å; F889-A910 HydrophobicContact CE2-CB 3.7Å; F889-L913 HydrophobicContact CE2-CD2 3.6Å; F889-L913 HydrophobicContact CZ-CD2 3.45Å; F889-L913 VanDerWaalsContact CZ-CD2 3.45Å; F889-V948 HydrophobicContact CB-CG1 4.32Å; F889-V948 HydrophobicContact CD2-CG1 3.72Å; F889-V948 HydrophobicContact CE2-CG1 4.43Å; F889-V948 HydrophobicContact CG-CG1 4.22Å
890	S	98.4	Very high	96	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	150	-179.4	70.6	0	0	0	0	111.7	V907 G908 P949 A950 I952	S890-V907 CarbonylContact O-C 3.57Å; S890-V907 WeakPolarHBondContact O-CA 3.49Å; S890-G908 PolarHBondContact N-O 2.99Å; S890-G908 PolarHBondContact O-N 2.91Å; S890-G908 WeakPolarHBondContact OG-CA 3.18Å; S890-P949 PolarHBondContact OG-O 2.91Å; S890-A950 WeakPolarHBondContact CB-O 3.34Å; S890-I952 VanDerWaalsContact OG-CD1 3.27Å; S890-I952 WeakPolarHBondContact OG-CD1 3.42Å; S890-I952 WeakPolarHBondContact OG-CG1 3.3Å
891	V	98.6	Very high	95.5	Very high	2 Å²	2	40 Å²	40	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	142.8	177.6	60.8	0	0	0	0	109.8	K787 V789 I798 I800 V905 L906 V907	K787-V891 HydrophobicContact CB-CG1 4.11Å; K787-V891 HydrophobicContact CD-CG1 4.39Å; K787-V891 HydrophobicContact CG-CG1 4.09Å; V789-V891 HydrophobicContact CG1-CG1 4.11Å; V789-V891 HydrophobicContact CG2-CG1 4.18Å; V789-V891 HydrophobicContact CG2-CG2 3.79Å; I798-V891 HydrophobicContact CG2-CG2 4.22Å; I800-V891 HydrophobicContact CD1-CB 4.41Å; I800-V891 HydrophobicContact CD1-CG1 4.26Å; I800-V891 HydrophobicContact CG1-CB 4.45Å; I800-V891 HydrophobicContact CG1-CG1 4.05Å; I800-V891 HydrophobicContact CG2-CB 3.99Å; I800-V891 HydrophobicContact CG2-CG1 4.32Å; I800-V891 HydrophobicContact CG2-CG2 4.4Å; V891-V905 HydrophobicContact CG2-CG1 4Å; V891-L906 CarbonylContact C-O 3.6Å; V891-L906 VanDerWaalsContact CA-O 3.26Å; V891-L906 WeakPolarHBondContact CA-O 3.36Å; V891-V907 HydrophobicContact CG2-CG2 4.09Å
892	A	98.4	Very high	95.4	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.033	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	141.1	173.4	0	0	0	0	0	111.6	V905 L906 I952	A892-V905 WeakPolarHBondContact O-CA 3.08Å; A892-L906 PolarHBondContact N-O 3Å; A892-L906 PolarHBondContact O-N 2.93Å; A892-I952 HydrophobicContact CB-CB 3.88Å; A892-I952 HydrophobicContact CB-CG2 3.47Å; A892-I952 VanDerWaalsContact CB-CG2 3.47Å
893	V	97.8	Very high	95.4	Very high	16 Å²	16	39.5 Å²	39.5	10%	0.097	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.6	167.1	169.4	0	0	0	0	108.2	V789 I798 W903 Y904 V905 L930 P954	V789-V893 HydrophobicContact CB-CG2 4.31Å; V789-V893 HydrophobicContact CG2-CB 4.42Å; V789-V893 HydrophobicContact CG2-CG2 3.57Å; I798-V893 HydrophobicContact CD1-CG2 3.88Å; V893-W903 HydrophobicContact CG1-CD2 4.14Å; V893-W903 HydrophobicContact CG1-CE3 3.32Å; V893-W903 HydrophobicContact CG1-CZ3 3.66Å; V893-Y904 CarbonylContact C-O 3.58Å; V893-Y904 WeakPolarHBondContact CA-O 3.46Å; V893-V905 HydrophobicContact CG2-CG2 3.89Å; V893-L930 HydrophobicContact CG1-CD1 4.39Å; V893-L930 HydrophobicContact CG2-CD1 4.36Å; V893-P954 VanDerWaalsContact O-CG 3.3Å; V893-P954 WeakPolarHBondContact O-CG 3.38Å
894	C	97	Very high	95.4	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	163.4	-174.3	63.5	0	0	0	0	112.8	Y904 P954 V959	C894-Y904 PolarHBondContact N-O 2.95Å; C894-Y904 PolarHBondContact O-N 2.89Å; C894-P954 HydrophobicContact CB-CB 3.98Å; C894-P954 HydrophobicContact CB-CG 3.92Å; C894-V959 HydrophobicContact CB-CG1 3.87Å; C894-V959 VanDerWaalsContact SG-CG1 3.5Å
895	R	96.3	Very high	95.5	Very high	68 Å²	68	32.8 Å²	32.8	26%	0.257	18%	0.18	S	C	.	.			trans	-116.9	147.7	169.7	-68.6	-170.6	162.9	162.1	2.1	110.3	E793 E901 W903 G957	E793-R895 IonicContact OE1-CZ 2.87Å; E793-R895 IonicContact OE1-NH2 3.88Å; E793-R895 PolarHBondContact OE1-NH2 2.83Å; R895-E901 IonicContact CZ-OE2 2.59Å; R895-E901 PolarHBondContact NE-O 3.46Å; R895-E901 IonicContact NE-OE2 2.93Å; R895-E901 IonicContact NH1-OE2 3.27Å; R895-E901 PolarHBondContact NH1-OE2 2.82Å; R895-E901 PolarHBondContact NH2-O 2.81Å; R895-W903 HydrophobicContact CG-CD2 3.96Å; R895-W903 HydrophobicContact CG-CE3 3.72Å; R895-W903 HydrophobicContact CG-CH2 4.36Å; R895-W903 HydrophobicContact CG-CZ3 3.95Å; R895-G957 CarbonylContact O-C 3.53Å
896	F	97.4	Very high	95.5	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	17%	0.174	C	C	.	.			trans	-111.5	131	175.2	-67.2	-88.7	0	0	0	111.2	N898 T899 Y904 L906 G957 V959 L972 L977	F896-N898 WeakPolarHBondContact CB-OD1 3.49Å; F896-N898 PolarHBondContact O-N 2.88Å; F896-T899 PolarHBondContact O-N 3.16Å; F896-Y904 AromaticContact CD2-CD2 3.61Å; F896-Y904 HydrophobicContact CD2-CD2 3.61Å; F896-Y904 HydrophobicContact CD2-CE2 4.03Å; F896-Y904 HydrophobicContact CD2-CG 4.02Å; F896-Y904 HydrophobicContact CE2-CD2 4.16Å; F896-Y904 HydrophobicContact CE2-CG 4.13Å; F896-L906 HydrophobicContact CZ-CD1 4.21Å; F896-G957 WeakPolarHBondContact CA-O 3.29Å; F896-V959 HydrophobicContact CE1-CG1 4.02Å; F896-V959 HydrophobicContact CE1-CG2 4.16Å; F896-V959 HydrophobicContact CZ-CG1 3.85Å; F896-V959 HydrophobicContact CZ-CG2 4.2Å; F896-L972 HydrophobicContact CB-CB 3.92Å; F896-L972 HydrophobicContact CB-CD2 4.36Å; F896-L972 HydrophobicContact CD1-CB 3.63Å; F896-L972 HydrophobicContact CD2-CB 3.75Å; F896-L972 HydrophobicContact CD2-CD1 4.3Å; F896-L972 HydrophobicContact CD2-CD2 3.86Å; F896-L972 HydrophobicContact CD2-CG 4.2Å; F896-L972 HydrophobicContact CE1-CB 3.97Å; F896-L972 HydrophobicContact CE2-CB 4.08Å; F896-L972 HydrophobicContact CE2-CD1 4.05Å; F896-L972 HydrophobicContact CE2-CD2 4.4Å; F896-L972 HydrophobicContact CE2-CG 4.41Å; F896-L972 HydrophobicContact CG-CB 3.5Å; F896-L972 VanDerWaalsContact CG-CB 3.5Å; F896-L972 HydrophobicContact CG-CD2 4.24Å; F896-L972 HydrophobicContact CG-CG 4.4Å; F896-L972 HydrophobicContact CZ-CB 4.17Å; F896-L972 HydrophobicContact CZ-CD1 4.39Å; F896-L977 HydrophobicContact CE1-CD2 4.45Å; F896-L977 HydrophobicContact CZ-CD2 4.01Å
897	S	93.9	Very high	95.6	Very high	86 Å²	86	31.7 Å²	31.7	60%	0.601	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.2	-178.6	54.2	0	0	0	0	114.5	G957	S897-G957 PolarHBondContact N-O 3.02Å; S897-G957 PolarHBondContact OG-O 2.83Å
898	N	91.3	Very high	95.6	Very high	81 Å²	81	31.7 Å²	31.7	43%	0.433	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-5.4	-176.7	68	-5.3	0	0	0	114.6	F896 D971 L972	F896-N898 WeakPolarHBondContact CB-OD1 3.49Å; F896-N898 PolarHBondContact O-N 2.88Å; N898-D971 PolarHBondContact ND2-OD1 3.47Å; N898-L972 PolarHBondContact ND2-O 3.36Å
899	T	86	Confident	95.6	Very high	58 Å²	58	31.7 Å²	31.7	36%	0.356	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-1.4	-178.5	51.3	0	0	0	0	115.4	F896 Y904 L972	F896-T899 PolarHBondContact O-N 3.16Å; T899-Y904 WeakPolarHBondContact CB-OH 3.49Å; T899-Y904 WeakPolarHBondContact OG1-CE2 3.35Å; T899-Y904 PolarHBondContact OG1-OH 3.15Å; T899-L972 HydrophobicContact CG2-CD2 3.6Å
900	G	83.3	Confident	95.6	Very high	42 Å²	42	29.1 Å²	29.1	43%	0.433	16%	0.163	S	C	.	.			trans	101.9	-144.3	178.5	0	0	0	0	0	112.3
901	E	88.1	Confident	95.6	Very high	139 Å²	139	31.1 Å²	31.1	65%	0.65	17%	0.171	S	C	*	.	S	Bend	trans	-96.8	12.1	-175.5	-61.9	-61.5	151.5	0	0	113.5	R895	R895-E901 IonicContact CZ-OE2 2.59Å; R895-E901 PolarHBondContact NE-O 3.46Å; R895-E901 IonicContact NE-OE2 2.93Å; R895-E901 IonicContact NH1-OE2 3.27Å; R895-E901 PolarHBondContact NH1-OE2 2.82Å; R895-E901 PolarHBondContact NH2-O 2.81Å
902	D	94.8	Very high	95.5	Very high	58 Å²	58	34 Å²	34	31%	0.31	19%	0.186	S	C	.	.			trans	-67.8	139.9	177.8	-74.8	-38.7	0	0	0	111.7	Y904 K929	D902-Y904 HydrophobicContact CB-CE2 3.82Å; D902-Y904 WeakPolarHBondContact O-CD2 3.47Å; D902-Y904 VanDerWaalsContact O-CE2 3.27Å; D902-Y904 WeakPolarHBondContact O-CE2 3.19Å; D902-K929 VanDerWaalsContact CG-CE 3.42Å; D902-K929 WeakPolarHBondContact OD1-CE 3.48Å; D902-K929 IonicContact OD1-NZ 3.95Å; D902-K929 PolarHBondContact OD1-NZ 3.07Å; D902-K929 VanDerWaalsContact OD1-NZ 3.08Å; D902-K929 WeakPolarHBondContact OD2-CE 3.49Å; D902-K929 IonicContact OD2-NZ 3.55Å; D902-K929 PolarHBondContact OD2-NZ 2.92Å
903	W	97.2	Very high	95.4	Very high	43 Å²	43	34 Å²	34	16%	0.163	19%	0.185	C	C	.	.			trans	-87.3	140	172.4	-72	105.9	0	0	0	112	H791 P792 E793 V893 R895 L930	H791-W903 AromaticContact CD2-CD1 3.98Å; H791-W903 AromaticContact CD2-CG 3.9Å; H791-W903 AromaticContact NE2-CD1 3.11Å; H791-W903 AromaticContact NE2-CG 3.43Å; H791-W903 AromaticContact NE2-NE1 3.51Å; P792-W903 HydrophobicContact CB-CH2 4.28Å; P792-W903 HydrophobicContact CB-CZ2 4.09Å; P792-W903 HydrophobicContact CG-CH2 3.64Å; P792-W903 HydrophobicContact CG-CZ2 3.89Å; P792-W903 HydrophobicContact CG-CZ3 4.25Å; E793-W903 PolarHBondContact OE1-NE1 2.9Å; E793-W903 VanDerWaalsContact OE1-NE1 3.12Å; E793-W903 PolarHBondContact OE2-NE1 2.98Å; V893-W903 HydrophobicContact CG1-CD2 4.14Å; V893-W903 HydrophobicContact CG1-CE3 3.32Å; V893-W903 HydrophobicContact CG1-CZ3 3.66Å; R895-W903 HydrophobicContact CG-CD2 3.96Å; R895-W903 HydrophobicContact CG-CE3 3.72Å; R895-W903 HydrophobicContact CG-CH2 4.36Å; R895-W903 HydrophobicContact CG-CZ3 3.95Å; W903-L930 HydrophobicContact CB-CB 4.04Å; W903-L930 HydrophobicContact CB-CD1 3.91Å; W903-L930 PolarHBondContact O-N 2.86Å
904	Y	98.1	Very high	95.3	Very high	11 Å²	11	36.6 Å²	36.6	4%	0.043	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.3	177.4	-59.7	-91.3	0	0	0	110.9	V893 C894 F896 T899 D902 Y928 K929 L940 L972	V893-Y904 CarbonylContact C-O 3.58Å; V893-Y904 WeakPolarHBondContact CA-O 3.46Å; C894-Y904 PolarHBondContact N-O 2.95Å; C894-Y904 PolarHBondContact O-N 2.89Å; F896-Y904 AromaticContact CD2-CD2 3.61Å; F896-Y904 HydrophobicContact CD2-CD2 3.61Å; F896-Y904 HydrophobicContact CD2-CE2 4.03Å; F896-Y904 HydrophobicContact CD2-CG 4.02Å; F896-Y904 HydrophobicContact CE2-CD2 4.16Å; F896-Y904 HydrophobicContact CE2-CG 4.13Å; T899-Y904 WeakPolarHBondContact CB-OH 3.49Å; T899-Y904 WeakPolarHBondContact OG1-CE2 3.35Å; T899-Y904 PolarHBondContact OG1-OH 3.15Å; D902-Y904 HydrophobicContact CB-CE2 3.82Å; D902-Y904 WeakPolarHBondContact O-CD2 3.47Å; D902-Y904 VanDerWaalsContact O-CE2 3.27Å; D902-Y904 WeakPolarHBondContact O-CE2 3.19Å; Y904-Y928 CarbonylContact C-O 3.5Å; Y904-Y928 WeakPolarHBondContact CA-O 3.44Å; Y904-Y928 WeakPolarHBondContact CB-O 3.38Å; Y904-K929 HydrophobicContact CD1-CB 4.25Å; Y904-K929 HydrophobicContact CE1-CB 4.21Å; Y904-K929 HydrophobicContact CE1-CG 4.37Å; Y904-L940 HydrophobicContact CD1-CD1 3.83Å; Y904-L940 HydrophobicContact CE1-CD1 3.62Å; Y904-L972 HydrophobicContact CD1-CD2 4.2Å; Y904-L972 HydrophobicContact CE1-CD2 3.6Å; Y904-L972 HydrophobicContact CE2-CD2 3.99Å; Y904-L972 VanDerWaalsContact CZ-CD2 3.48Å
905	V	98.5	Very high	95	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.4	171	171.9	0	0	0	0	108.3	I798 V891 A892 V893 V907 Y928 L930 L937	I798-V905 HydrophobicContact CG1-CG2 4.13Å; I798-V905 HydrophobicContact CG2-CG1 4Å; I798-V905 HydrophobicContact CG2-CG2 4.45Å; V891-V905 HydrophobicContact CG2-CG1 4Å; A892-V905 WeakPolarHBondContact O-CA 3.08Å; V893-V905 HydrophobicContact CG2-CG2 3.89Å; V905-V907 HydrophobicContact CG1-CG2 3.95Å; V905-Y928 PolarHBondContact N-O 3.04Å; V905-Y928 PolarHBondContact O-N 3.41Å; V905-L930 HydrophobicContact CG2-CD1 3.59Å; V905-L930 HydrophobicContact CG2-CD2 4.05Å; V905-L930 HydrophobicContact CG2-CG 3.69Å; V905-L937 HydrophobicContact CB-CD2 4.01Å; V905-L937 HydrophobicContact CG1-CD2 4.44Å; V905-L937 HydrophobicContact CG2-CD2 3.82Å
906	L	98.7	Very high	94.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132	171	-55.8	-173.6	0	0	0	109.4	V891 A892 F896 V925 Y926 T927 I952 V959 L977	V891-L906 CarbonylContact C-O 3.6Å; V891-L906 VanDerWaalsContact CA-O 3.26Å; V891-L906 WeakPolarHBondContact CA-O 3.36Å; A892-L906 PolarHBondContact N-O 3Å; A892-L906 PolarHBondContact O-N 2.93Å; F896-L906 HydrophobicContact CZ-CD1 4.21Å; L906-V925 HydrophobicContact CB-CG1 4.22Å; L906-Y926 VanDerWaalsContact CA-O 3.3Å; L906-Y926 WeakPolarHBondContact CA-O 3.47Å; L906-T927 HydrophobicContact CD2-CG2 3.63Å; L906-T927 WeakPolarHBondContact CD2-OG1 3.35Å; L906-I952 HydrophobicContact CB-CD1 4.04Å; L906-I952 HydrophobicContact CB-CG2 4.26Å; L906-I952 HydrophobicContact CD1-CG2 4.12Å; L906-V959 HydrophobicContact CD1-CB 4.04Å; L906-V959 HydrophobicContact CD1-CG1 3.68Å; L906-V959 HydrophobicContact CD1-CG2 3.68Å; L906-L977 HydrophobicContact CD1-CD1 4.32Å
907	V	98.8	Very high	94.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.3	175.8	-177	0	0	0	0	109.4	I800 I866 A888 S890 V891 V905 V909 V925 Y926 Y928	I800-V907 HydrophobicContact CG2-CG1 3.94Å; I800-V907 HydrophobicContact CG2-CG2 4.38Å; I866-V907 HydrophobicContact CD1-CB 4.19Å; I866-V907 HydrophobicContact CD1-CG1 4.25Å; I866-V907 HydrophobicContact CD1-CG2 3.74Å; I866-V907 HydrophobicContact CG1-CG1 4.39Å; I866-V907 HydrophobicContact CG1-CG2 4.16Å; I866-V907 HydrophobicContact CG2-CG2 4.43Å; A888-V907 HydrophobicContact CB-CG1 3.91Å; S890-V907 CarbonylContact O-C 3.57Å; S890-V907 WeakPolarHBondContact O-CA 3.49Å; V891-V907 HydrophobicContact CG2-CG2 4.09Å; V905-V907 HydrophobicContact CG1-CG2 3.95Å; V907-V909 HydrophobicContact CG1-CG2 3.96Å; V907-V925 WeakPolarHBondContact O-CA 3.22Å; V907-Y926 PolarHBondContact N-O 2.84Å; V907-Y926 PolarHBondContact O-N 2.85Å; V907-Y928 HydrophobicContact CG2-CE2 4.33Å
908	G	98.7	Very high	94.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.1	175.8	0	0	0	0	0	111.6	F889 S890 P949	F889-G908 PolarHBondContact N-O 3.09Å; S890-G908 PolarHBondContact N-O 2.99Å; S890-G908 PolarHBondContact O-N 2.91Å; S890-G908 WeakPolarHBondContact OG-CA 3.18Å; G908-P949 VanDerWaalsContact CA-CG 3.48Å
909	V	98.7	Very high	94.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.2	-170.4	176	0	0	0	0	110.7	L882 E886 A887 A888 V907 G923 F924 Y926 P949	L882-V909 HydrophobicContact CD1-CG1 4.5Å; L882-V909 HydrophobicContact CD1-CG2 3.85Å; E886-V909 HydrophobicContact CB-CG1 3.69Å; E886-V909 HydrophobicContact CG-CG1 4.4Å; A887-V909 CarbonylContact O-C 3.58Å; A887-V909 VanDerWaalsContact O-CA 3.25Å; A887-V909 WeakPolarHBondContact O-CA 3.46Å; A888-V909 HydrophobicContact CB-CG2 4.34Å; V907-V909 HydrophobicContact CG1-CG2 3.96Å; V909-G923 CarbonylContact O-C 3.6Å; V909-G923 WeakPolarHBondContact O-CA 3.3Å; V909-F924 HydrophobicContact CB-CB 4.36Å; V909-F924 HydrophobicContact CG1-CD2 4.49Å; V909-F924 PolarHBondContact N-O 3.1Å; V909-F924 PolarHBondContact O-N 2.87Å; V909-Y926 HydrophobicContact CB-CD2 4.3Å; V909-Y926 HydrophobicContact CB-CE2 4.35Å; V909-Y926 HydrophobicContact CG1-CE2 4.44Å; V909-Y926 HydrophobicContact CG2-CD2 3.68Å; V909-Y926 HydrophobicContact CG2-CE2 3.99Å; V909-P949 WeakPolarHBondContact O-CD 3.15Å
910	A	98.1	Very high	94.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	146.4	167.4	0	0	0	0	0	110.6	E886 A887 F889 L913 V920 V948	E886-A910 WeakPolarHBondContact CA-O 3.07Å; A887-A910 PolarHBondContact N-O 2.95Å; A887-A910 PolarHBondContact O-N 2.87Å; F889-A910 HydrophobicContact CD2-CB 3.97Å; F889-A910 HydrophobicContact CE2-CB 3.7Å; A910-L913 HydrophobicContact CB-CB 4.15Å; A910-L913 HydrophobicContact CB-CD2 4.42Å; A910-V920 HydrophobicContact CB-CG2 4.2Å; A910-V948 HydrophobicContact CB-CB 4.33Å; A910-V948 HydrophobicContact CB-CG1 4.02Å; A910-V948 HydrophobicContact CB-CG2 3.61Å
911	K	97.8	Very high	95.5	Very high	43 Å²	43	50.5 Å²	50.5	19%	0.187	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.7	174.1	-175.7	66.8	-170.3	-175.3	0	110.7	Q884 N885 E886 L913 V920 A921 G922 F924	Q884-K911 PolarHBondContact O-NZ 2.86Å; N885-K911 WeakPolarHBondContact O-CA 3.29Å; E886-K911 HydrophobicContact CG-CD 3.79Å; K911-L913 VanDerWaalsContact C-N 3.33Å; K911-L913 PolarHBondContact O-N 2.96Å; K911-V920 WeakPolarHBondContact O-CG2 3.42Å; K911-A921 PolarHBondContact O-N 2.79Å; K911-A921 VanDerWaalsContact O-N 3.08Å; K911-G922 PolarHBondContact N-O 2.81Å; K911-F924 HydrophobicContact CB-CD2 4.41Å; K911-F924 HydrophobicContact CB-CE2 3.79Å; K911-F924 HydrophobicContact CD-CE2 4.25Å; K911-F924 HydrophobicContact CG-CE2 4.1Å
912	D	96.6	Very high	95.9	Very high	62 Å²	62	44.3 Å²	44.3	33%	0.332	25%	0.246	S	C	.	.	S	Bend	trans	51.5	49.2	177.2	-53.5	-47.3	0	0	0	112.3	N885 A921	N885-D912 WeakPolarHBondContact CB-OD1 3.49Å; N885-D912 PolarHBondContact ND2-OD1 3.34Å; N885-D912 PolarHBondContact O-N 2.92Å; N885-D912 VanDerWaalsContact O-N 3.09Å; D912-A921 HydrophobicContact CB-CB 3.93Å
913	L	96.3	Very high	96	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	23%	0.231	C	C	.	.			trans	-74.8	126.9	-179.7	179.2	67.7	0	0	0	110.7	W862 F889 A910 K911 L915 S919 V920 V948	W862-L913 HydrophobicContact CH2-CD2 4.13Å; W862-L913 HydrophobicContact CZ2-CB 4.25Å; W862-L913 HydrophobicContact CZ2-CD2 3.83Å; W862-L913 HydrophobicContact CZ2-CG 4.11Å; W862-L913 PolarHBondContact NE1-O 3.1Å; F889-L913 HydrophobicContact CE2-CD2 3.6Å; F889-L913 HydrophobicContact CZ-CD2 3.45Å; F889-L913 VanDerWaalsContact CZ-CD2 3.45Å; A910-L913 HydrophobicContact CB-CB 4.15Å; A910-L913 HydrophobicContact CB-CD2 4.42Å; K911-L913 VanDerWaalsContact C-N 3.33Å; K911-L913 PolarHBondContact O-N 2.96Å; L913-L915 HydrophobicContact CD2-CD2 4.11Å; L913-L915 HydrophobicContact CG-CD2 4.47Å; L913-S919 WeakPolarHBondContact CA-O 3.1Å; L913-V920 HydrophobicContact CD1-CB 4.02Å; L913-V920 HydrophobicContact CD1-CG2 4.21Å; L913-V948 HydrophobicContact CD1-CG2 4.43Å
914	I	95.8	Very high	96.1	Very high	71 Å²	71	41.7 Å²	41.7	36%	0.364	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-106.4	132.7	165.8	-54	-176.4	0	0	0	107.3	R918 S919	I914-R918 VanDerWaalsContact O-CA 3.3Å; I914-R918 WeakPolarHBondContact O-CA 3.19Å; I914-S919 WeakPolarHBondContact CB-OG 3.27Å; I914-S919 WeakPolarHBondContact CD1-OG 3.13Å; I914-S919 WeakPolarHBondContact CG1-OG 3.33Å; I914-S919 PolarHBondContact N-O 3.28Å; I914-S919 PolarHBondContact O-N 2.89Å; I914-S919 VanDerWaalsContact O-N 3.08Å
915	L	91.2	Very high	96.1	Very high	91 Å²	91	41.1 Å²	41.1	48%	0.476	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-42.4	-175.9	-68.1	175	0	0	0	112.7	W862 L913 R918	W862-L915 HydrophobicContact CH2-CD1 4.06Å; W862-L915 HydrophobicContact CH2-CD2 3.99Å; W862-L915 HydrophobicContact CH2-CG 4.14Å; W862-L915 HydrophobicContact CZ2-CD1 4.16Å; W862-L915 HydrophobicContact CZ2-CD2 4.02Å; W862-L915 HydrophobicContact CZ2-CG 3.89Å; L913-L915 HydrophobicContact CD2-CD2 4.11Å; L913-L915 HydrophobicContact CG-CD2 4.47Å; L915-R918 WeakPolarHBondContact O-CA 3.3Å; L915-R918 PolarHBondContact O-N 3.02Å
916	N	89.1	Confident	96.1	Very high	147 Å²	147	42 Å²	42	79%	0.786	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-147	122.6	-177.4	-171.2	37.6	0	0	0	111.9
917	P	90.8	Very high	96.1	Very high	106 Å²	106	42 Å²	42	69%	0.688	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	cis	-59.5	143	-15.6	28	-34	0	0	0	110.2	S919	P917-S919 PolarHBondContact O-N 2.89Å
918	R	91.1	Very high	96.1	Very high	114 Å²	114	42.3 Å²	42.3	43%	0.43	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	123.1	-174.6	-176.9	-177.4	174.5	81.3	0.3	110.9	I914 L915 E947 V948	I914-R918 VanDerWaalsContact O-CA 3.3Å; I914-R918 WeakPolarHBondContact O-CA 3.19Å; L915-R918 WeakPolarHBondContact O-CA 3.3Å; L915-R918 PolarHBondContact O-N 3.02Å; R918-E947 IonicContact CZ-OE1 2.6Å; R918-E947 IonicContact NE-OE1 3.38Å; R918-E947 IonicContact NH2-OE1 2.76Å; R918-E947 PolarHBondContact NH2-OE1 2.9Å; R918-E947 IonicContact NH2-OE2 3.75Å; R918-V948 VanDerWaalsContact NH2-CG2 3.3Å
919	S	95	Very high	96	Very high	56 Å²	56	44.7 Å²	44.7	39%	0.392	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-144.8	152.5	170	68.4	0	0	0	0	111	L913 I914 P917	L913-S919 WeakPolarHBondContact CA-O 3.1Å; I914-S919 WeakPolarHBondContact CB-OG 3.27Å; I914-S919 WeakPolarHBondContact CD1-OG 3.13Å; I914-S919 WeakPolarHBondContact CG1-OG 3.33Å; I914-S919 PolarHBondContact N-O 3.28Å; I914-S919 PolarHBondContact O-N 2.89Å; I914-S919 VanDerWaalsContact O-N 3.08Å; P917-S919 PolarHBondContact O-N 2.89Å
920	V	95.7	Very high	95.9	Very high	41 Å²	41	45.3 Å²	45.3	25%	0.248	25%	0.249	C	C	.	.			trans	-148.2	138.7	179.8	67	0	0	0	0	109.4	A910 K911 L913 G922 E947 V948	A910-V920 HydrophobicContact CB-CG2 4.2Å; K911-V920 WeakPolarHBondContact O-CG2 3.42Å; L913-V920 HydrophobicContact CD1-CB 4.02Å; L913-V920 HydrophobicContact CD1-CG2 4.21Å; V920-G922 VanDerWaalsContact C-N 3.34Å; V920-G922 VanDerWaalsContact CG2-O 3.26Å; V920-G922 WeakPolarHBondContact CG2-O 3.37Å; V920-E947 HydrophobicContact CG1-CG 4.22Å; V920-V948 HydrophobicContact CG2-CG2 4.07Å
921	A	96.2	Very high	95.8	Very high	75 Å²	75	46.8 Å²	46.8	62%	0.62	26%	0.258	S	S	*	.	S	Bend	trans	-76.4	-25.8	177.8	0	0	0	0	0	112.5	K911 D912	K911-A921 PolarHBondContact O-N 2.79Å; K911-A921 VanDerWaalsContact O-N 3.08Å; D912-A921 HydrophobicContact CB-CB 3.93Å
922	G	96.7	Very high	95.7	Very high	10 Å²	10	49.9 Å²	49.9	10%	0.103	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.1	-167.2	176.4	0	0	0	0	0	111	K911 V920	K911-G922 PolarHBondContact N-O 2.81Å; V920-G922 VanDerWaalsContact C-N 3.34Å; V920-G922 VanDerWaalsContact CG2-O 3.26Å; V920-G922 WeakPolarHBondContact CG2-O 3.37Å
923	G	97.4	Very high	95.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	171.2	175.7	0	0	0	0	0	113.2	V909 V945	V909-G923 CarbonylContact O-C 3.6Å; V909-G923 WeakPolarHBondContact O-CA 3.3Å; G923-V945 PolarHBondContact N-O 3.4Å; G923-V945 WeakPolarHBondContact O-CG2 3.22Å; G923-V945 PolarHBondContact O-N 2.96Å
924	F	98.4	Very high	95.3	Very high	44 Å²	44	51.8 Å²	51.8	19%	0.193	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147.3	177.6	-55.2	-69.8	0	0	0	111.3	E886 V909 K911 Y926 K942 T943 P944 P949	E886-F924 WeakPolarHBondContact OE1-CE2 3.41Å; V909-F924 HydrophobicContact CB-CB 4.36Å; V909-F924 HydrophobicContact CG1-CD2 4.49Å; V909-F924 PolarHBondContact N-O 3.1Å; V909-F924 PolarHBondContact O-N 2.87Å; K911-F924 HydrophobicContact CB-CD2 4.41Å; K911-F924 HydrophobicContact CB-CE2 3.79Å; K911-F924 HydrophobicContact CD-CE2 4.25Å; K911-F924 HydrophobicContact CG-CE2 4.1Å; F924-Y926 HydrophobicContact CB-CD2 4.27Å; F924-Y926 HydrophobicContact CB-CE2 4.18Å; F924-K942 HydrophobicContact CB-CD 4.39Å; F924-K942 HydrophobicContact CB-CG 3.81Å; F924-K942 HydrophobicContact CD1-CD 4Å; F924-K942 HydrophobicContact CD1-CG 3.78Å; F924-K942 HydrophobicContact CE1-CD 4.4Å; F924-K942 VanDerWaalsContact CE2-CE 3.41Å; F924-K942 HydrophobicContact CG-CD 4.06Å; F924-K942 HydrophobicContact CG-CG 3.9Å; F924-T943 CarbonylContact C-O 3.57Å; F924-T943 VanDerWaalsContact CA-O 3.32Å; F924-T943 WeakPolarHBondContact CA-O 3.37Å; F924-P944 HydrophobicContact CD1-CB 4.31Å; F924-P944 HydrophobicContact CE1-CB 4.32Å; F924-P949 VanDerWaalsContact O-CG 3.3Å; F924-P949 WeakPolarHBondContact O-CG 3.48Å
925	V	98.6	Very high	95.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	105.3	162.8	-173.4	0	0	0	0	107.7	L906 V907 T943 V945 P949 I961 L977	L906-V925 HydrophobicContact CB-CG1 4.22Å; V907-V925 WeakPolarHBondContact O-CA 3.22Å; V925-T943 PolarHBondContact N-O 3.41Å; V925-T943 PolarHBondContact O-N 3.11Å; V925-V945 HydrophobicContact CG2-CG1 4.29Å; V925-P949 HydrophobicContact CG2-CB 4Å; V925-P949 HydrophobicContact CG2-CG 4.08Å; V925-I961 HydrophobicContact CG1-CD1 4.08Å; V925-I961 HydrophobicContact CG2-CD1 3.96Å; V925-L977 HydrophobicContact CB-CD1 4.1Å; V925-L977 HydrophobicContact CG1-CD1 3.62Å
926	Y	98.6	Very high	95.6	Very high	18 Å²	18	53.6 Å²	53.6	7%	0.071	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	139.5	170	-80.3	-97.6	0	0	0	109.4	L882 E886 L906 V907 V909 F924 Y928 F939 K942	L882-Y926 HydrophobicContact CD2-CE1 4.43Å; L882-Y926 HydrophobicContact CD2-CE2 4.35Å; E886-Y926 WeakPolarHBondContact OE2-CE2 3.45Å; E886-Y926 PolarHBondContact OE2-OH 2.73Å; L906-Y926 VanDerWaalsContact CA-O 3.3Å; L906-Y926 WeakPolarHBondContact CA-O 3.47Å; V907-Y926 PolarHBondContact N-O 2.84Å; V907-Y926 PolarHBondContact O-N 2.85Å; V909-Y926 HydrophobicContact CB-CD2 4.3Å; V909-Y926 HydrophobicContact CB-CE2 4.35Å; V909-Y926 HydrophobicContact CG1-CE2 4.44Å; V909-Y926 HydrophobicContact CG2-CD2 3.68Å; V909-Y926 HydrophobicContact CG2-CE2 3.99Å; F924-Y926 HydrophobicContact CB-CD2 4.27Å; F924-Y926 HydrophobicContact CB-CE2 4.18Å; Y926-Y928 HydrophobicContact CD1-CE2 4.29Å; Y926-Y928 AromaticContact CD1-CZ 3.94Å; Y926-Y928 VanDerWaalsContact CD1-OH 3.25Å; Y926-Y928 WeakPolarHBondContact CD1-OH 3.47Å; Y926-Y928 HydrophobicContact CG-CE2 4.29Å; Y926-F939 HydrophobicContact CD1-CD2 4.05Å; Y926-F939 AromaticContact CD1-CE2 3.59Å; Y926-F939 HydrophobicContact CD1-CE2 3.59Å; Y926-F939 AromaticContact CE1-CE2 3.95Å; Y926-F939 HydrophobicContact CE1-CE2 3.95Å; Y926-K942 HydrophobicContact CD2-CG 4.41Å; Y926-K942 HydrophobicContact CE1-CB 4.44Å; Y926-K942 HydrophobicContact CE1-CD 4.01Å; Y926-K942 HydrophobicContact CE1-CG 4.26Å; Y926-K942 HydrophobicContact CE2-CD 4.03Å; Y926-K942 HydrophobicContact CE2-CG 4.14Å; Y926-K942 VanDerWaalsContact OH-CE 3.29Å; Y926-K942 WeakPolarHBondContact OH-CE 3.48Å; Y926-K942 PolarHBondContact OH-NZ 3.3Å
927	T	98.6	Very high	96	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.5	179	-56	0	0	0	0	108.4	L906 L940 H941 L972	L906-T927 HydrophobicContact CD2-CG2 3.63Å; L906-T927 WeakPolarHBondContact CD2-OG1 3.35Å; T927-L940 HydrophobicContact CG2-CB 4.48Å; T927-L940 HydrophobicContact CG2-CD1 4.15Å; T927-L940 WeakPolarHBondContact O-CB 3.34Å; T927-L940 PolarHBondContact O-N 2.8Å; T927-H941 VanDerWaalsContact CB-CE1 3.46Å; T927-H941 WeakPolarHBondContact CB-CE1 3.4Å; T927-H941 PolarHBondContact N-O 3.43Å; T927-H941 PolarHBondContact O-N 3.23Å; T927-H941 PolarHBondContact OG1-CE1 3.36Å; T927-H941 PolarHBondContact OG1-ND1 2.91Å; T927-L972 HydrophobicContact CG2-CD1 3.85Å
928	Y	98.5	Very high	96.4	Very high	6 Å²	6	46.7 Å²	46.7	2%	0.024	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147.1	175.1	-55.7	-92.4	0	0	0	109.6	I866 V880 Y904 V905 V907 Y926 L937 E938 F939	I866-Y928 HydrophobicContact CD1-CE2 3.55Å; I866-Y928 WeakPolarHBondContact CD1-OH 3.29Å; V880-Y928 HydrophobicContact CG1-CE1 4.3Å; V880-Y928 HydrophobicContact CG2-CE1 4.49Å; Y904-Y928 CarbonylContact C-O 3.5Å; Y904-Y928 WeakPolarHBondContact CA-O 3.44Å; Y904-Y928 WeakPolarHBondContact CB-O 3.38Å; V905-Y928 PolarHBondContact N-O 3.04Å; V905-Y928 PolarHBondContact O-N 3.41Å; V907-Y928 HydrophobicContact CG2-CE2 4.33Å; Y926-Y928 HydrophobicContact CD1-CE2 4.29Å; Y926-Y928 AromaticContact CD1-CZ 3.94Å; Y926-Y928 VanDerWaalsContact CD1-OH 3.25Å; Y926-Y928 WeakPolarHBondContact CD1-OH 3.47Å; Y926-Y928 HydrophobicContact CG-CE2 4.29Å; Y928-L937 HydrophobicContact CD1-CB 3.86Å; Y928-L937 HydrophobicContact CG-CB 4.1Å; Y928-L937 HydrophobicContact CG-CD2 4.47Å; Y928-E938 CarbonylContact C-O 3.59Å; Y928-E938 WeakPolarHBondContact CA-O 3.37Å; Y928-F939 HydrophobicContact CD1-CB 3.91Å; Y928-F939 HydrophobicContact CD1-CD2 4.29Å; Y928-F939 HydrophobicContact CE1-CB 3.83Å; Y928-F939 AromaticContact CE1-CD2 3.84Å; Y928-F939 HydrophobicContact CE1-CD2 3.84Å; Y928-F939 HydrophobicContact CE1-CG 4.31Å
929	K	97.5	Very high	96.7	Very high	50 Å²	50	46.5 Å²	46.5	22%	0.217	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	133.8	162.8	-179.4	172.7	172.8	165.6	0	108.6	D902 Y904 V931 E938 L940	D902-K929 VanDerWaalsContact CG-CE 3.42Å; D902-K929 WeakPolarHBondContact OD1-CE 3.48Å; D902-K929 IonicContact OD1-NZ 3.95Å; D902-K929 PolarHBondContact OD1-NZ 3.07Å; D902-K929 VanDerWaalsContact OD1-NZ 3.08Å; D902-K929 WeakPolarHBondContact OD2-CE 3.49Å; D902-K929 IonicContact OD2-NZ 3.55Å; D902-K929 PolarHBondContact OD2-NZ 2.92Å; Y904-K929 HydrophobicContact CD1-CB 4.25Å; Y904-K929 HydrophobicContact CE1-CB 4.21Å; Y904-K929 HydrophobicContact CE1-CG 4.37Å; K929-V931 HydrophobicContact CD-CG1 4.28Å; K929-V931 HydrophobicContact CG-CG1 4.04Å; K929-E938 HydrophobicContact CB-CB 4.36Å; K929-E938 PolarHBondContact N-O 3.26Å; K929-E938 PolarHBondContact O-N 2.76Å; K929-L940 HydrophobicContact CB-CD1 4.12Å; K929-L940 HydrophobicContact CB-CD2 4.3Å; K929-L940 HydrophobicContact CB-CG 4.28Å
930	L	97	Very high	96.8	Very high	13 Å²	13	46.9 Å²	46.9	7%	0.068	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	123.5	169.8	-80.7	164.4	0	0	0	108.8	V893 W903 V905 L937	V893-L930 HydrophobicContact CG1-CD1 4.39Å; V893-L930 HydrophobicContact CG2-CD1 4.36Å; W903-L930 HydrophobicContact CB-CB 4.04Å; W903-L930 HydrophobicContact CB-CD1 3.91Å; W903-L930 PolarHBondContact O-N 2.86Å; V905-L930 HydrophobicContact CG2-CD1 3.59Å; V905-L930 HydrophobicContact CG2-CD2 4.05Å; V905-L930 HydrophobicContact CG2-CG 3.69Å; L930-L937 HydrophobicContact CD2-CD2 3.6Å; L930-L937 HydrophobicContact CG-CD2 4.24Å
931	V	96	Very high	97	Very high	31 Å²	31	45.4 Å²	45.4	19%	0.188	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	170.7	178	-58.7	0	0	0	0	110.2	K929 N933 G934 E935 K936 E938	K929-V931 HydrophobicContact CD-CG1 4.28Å; K929-V931 HydrophobicContact CG-CG1 4.04Å; V931-N933 PolarHBondContact O-N 2.9Å; V931-G934 PolarHBondContact O-N 2.98Å; V931-G934 VanDerWaalsContact O-N 3.1Å; V931-E935 PolarHBondContact O-N 2.69Å; V931-K936 HydrophobicContact CG2-CB 3.88Å; V931-K936 HydrophobicContact CG2-CD 4.46Å; V931-K936 HydrophobicContact CG2-CG 4.18Å; V931-K936 PolarHBondContact N-O 3.18Å; V931-K936 PolarHBondContact O-N 3.34Å; V931-E938 HydrophobicContact CG1-CB 4.13Å; V931-E938 WeakPolarHBondContact CG1-OE2 3.27Å; V931-E938 HydrophobicContact CG2-CB 4.43Å
932	N	94.1	Very high	97	Very high	109 Å²	109	44.4 Å²	44.4	58%	0.583	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	53	-178.7	-60.8	-5.4	0	0	0	112.6	G934 E935	N932-G934 PolarHBondContact O-N 2.88Å; N932-E935 HydrophobicContact CB-CB 4.29Å; N932-E935 WeakPolarHBondContact O-CB 3.3Å; N932-E935 WeakPolarHBondContact O-CG 3.26Å; N932-E935 PolarHBondContact O-N 3.48Å
933	N	91	Very high	97.1	Very high	103 Å²	103	44.1 Å²	44.1	55%	0.551	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	37	-178.1	-163.1	39	0	0	0	113.7	S794 V931	S794-N933 WeakPolarHBondContact CB-O 3.33Å; S794-N933 PolarHBondContact OG-O 2.65Å; S794-N933 VanDerWaalsContact OG-O 3.08Å; V931-N933 PolarHBondContact O-N 2.9Å
934	G	93.2	Very high	97.2	Very high	2 Å²	2	48.3 Å²	48.3	2%	0.021	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	25	178.8	0	0	0	0	0	114.5	N796 V868 V931 N932	N796-G934 PolarHBondContact ND2-O 2.75Å; V868-G934 WeakPolarHBondContact CG1-O 3.49Å; V931-G934 PolarHBondContact O-N 2.98Å; V931-G934 VanDerWaalsContact O-N 3.1Å; N932-G934 PolarHBondContact O-N 2.88Å
935	E	96.5	Very high	97.1	Very high	90 Å²	90	46.7 Å²	46.7	42%	0.421	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-23.3	174	-63.9	178.2	172.4	0	0	112.7	L877 D878 V931 N932	L877-E935 HydrophobicContact CB-CB 4.42Å; L877-E935 WeakPolarHBondContact CB-O 3.26Å; L877-E935 HydrophobicContact CD1-CB 4.29Å; L877-E935 HydrophobicContact CD1-CG 4.08Å; D878-E935 WeakPolarHBondContact CB-O 3.32Å; V931-E935 PolarHBondContact O-N 2.69Å; N932-E935 HydrophobicContact CB-CB 4.29Å; N932-E935 WeakPolarHBondContact O-CB 3.3Å; N932-E935 WeakPolarHBondContact O-CG 3.26Å; N932-E935 PolarHBondContact O-N 3.48Å
936	K	97.9	Very high	97	Very high	109 Å²	109	52.1 Å²	52.1	47%	0.474	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.4	-174.5	-175.7	174.3	-174.5	174.1	0	112.9	D878 V931	D878-K936 WeakPolarHBondContact OD2-CG 3.42Å; V931-K936 HydrophobicContact CG2-CB 3.88Å; V931-K936 HydrophobicContact CG2-CD 4.46Å; V931-K936 HydrophobicContact CG2-CG 4.18Å; V931-K936 PolarHBondContact N-O 3.18Å; V931-K936 PolarHBondContact O-N 3.34Å
937	L	98.3	Very high	96.9	Very high	11 Å²	11	53.2 Å²	53.2	6%	0.058	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.5	174.9	-62.2	173.9	0	0	0	110.5	I866 V868 D878 V880 V905 Y928 L930	I866-L937 HydrophobicContact CB-CD1 4.39Å; I866-L937 HydrophobicContact CG2-CD1 3.64Å; V868-L937 HydrophobicContact CG2-CD1 3.84Å; V868-L937 HydrophobicContact CG2-CD2 4.22Å; V868-L937 HydrophobicContact CG2-CG 3.67Å; D878-L937 PolarHBondContact OD2-N 2.94Å; V880-L937 HydrophobicContact CG2-CB 4.36Å; V880-L937 HydrophobicContact CG2-CD1 4.16Å; V905-L937 HydrophobicContact CB-CD2 4.01Å; V905-L937 HydrophobicContact CG1-CD2 4.44Å; V905-L937 HydrophobicContact CG2-CD2 3.82Å; Y928-L937 HydrophobicContact CD1-CB 3.86Å; Y928-L937 HydrophobicContact CG-CB 4.1Å; Y928-L937 HydrophobicContact CG-CD2 4.47Å; L930-L937 HydrophobicContact CD2-CD2 3.6Å; L930-L937 HydrophobicContact CG-CD2 4.24Å
938	E	97.9	Very high	96.9	Very high	98 Å²	98	53.2 Å²	53.2	46%	0.458	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	113.1	170.6	-175.3	-176.5	-178.4	0	0	109.6	Y928 K929 V931 L940	Y928-E938 CarbonylContact C-O 3.59Å; Y928-E938 WeakPolarHBondContact CA-O 3.37Å; K929-E938 HydrophobicContact CB-CB 4.36Å; K929-E938 PolarHBondContact N-O 3.26Å; K929-E938 PolarHBondContact O-N 2.76Å; V931-E938 HydrophobicContact CG1-CB 4.13Å; V931-E938 WeakPolarHBondContact CG1-OE2 3.27Å; V931-E938 HydrophobicContact CG2-CB 4.43Å; E938-L940 PolarHBondContact O-N 2.88Å
939	F	98.3	Very high	96.9	Very high	109 Å²	109	52.9 Å²	52.9	48%	0.478	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	129.7	178.7	174.6	-106.8	0	0	0	111.8	Y926 Y928 H941 K942	Y926-F939 HydrophobicContact CD1-CD2 4.05Å; Y926-F939 AromaticContact CD1-CE2 3.59Å; Y926-F939 HydrophobicContact CD1-CE2 3.59Å; Y926-F939 AromaticContact CE1-CE2 3.95Å; Y926-F939 HydrophobicContact CE1-CE2 3.95Å; Y928-F939 HydrophobicContact CD1-CB 3.91Å; Y928-F939 HydrophobicContact CD1-CD2 4.29Å; Y928-F939 HydrophobicContact CE1-CB 3.83Å; Y928-F939 AromaticContact CE1-CD2 3.84Å; Y928-F939 HydrophobicContact CE1-CD2 3.84Å; Y928-F939 HydrophobicContact CE1-CG 4.31Å; F939-H941 VanDerWaalsContact CE2-C 3.44Å; F939-H941 VanDerWaalsContact CZ-C 3.49Å; F939-K942 HydrophobicContact CE2-CB 4.31Å; F939-K942 HydrophobicContact CZ-CB 4.12Å
940	L	97.4	Very high	96.9	Very high	65 Å²	65	51.2 Å²	51.2	34%	0.34	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-58.8	176.8	-59.9	-178.6	0	0	0	112.2	Y904 T927 K929 E938	Y904-L940 HydrophobicContact CD1-CD1 3.83Å; Y904-L940 HydrophobicContact CE1-CD1 3.62Å; T927-L940 HydrophobicContact CG2-CB 4.48Å; T927-L940 HydrophobicContact CG2-CD1 4.15Å; T927-L940 WeakPolarHBondContact O-CB 3.34Å; T927-L940 PolarHBondContact O-N 2.8Å; K929-L940 HydrophobicContact CB-CD1 4.12Å; K929-L940 HydrophobicContact CB-CD2 4.3Å; K929-L940 HydrophobicContact CB-CG 4.28Å; E938-L940 PolarHBondContact O-N 2.88Å
941	H	98.1	Very high	96.9	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.046	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	163.6	-178.8	62.6	52.7	0	0	0	112.8	T927 F939 G973 K975 K976 L977	T927-H941 VanDerWaalsContact CB-CE1 3.46Å; T927-H941 WeakPolarHBondContact CB-CE1 3.4Å; T927-H941 PolarHBondContact N-O 3.43Å; T927-H941 PolarHBondContact O-N 3.23Å; T927-H941 PolarHBondContact OG1-CE1 3.36Å; T927-H941 PolarHBondContact OG1-ND1 2.91Å; F939-H941 VanDerWaalsContact CE2-C 3.44Å; F939-H941 VanDerWaalsContact CZ-C 3.49Å; H941-G973 PolarHBondContact CD2-O 3.4Å; H941-G973 PolarHBondContact NE2-O 2.9Å; H941-G973 VanDerWaalsContact NE2-O 3.08Å; H941-K975 WeakPolarHBondContact CB-O 3.32Å; H941-K976 PolarHBondContact CD2-N 3.07Å; H941-L977 PolarHBondContact CE1-N 2.98Å
942	K	97.5	Very high	97	Very high	54 Å²	54	50 Å²	50	24%	0.235	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.7	175.9	-176.8	179.4	-178.5	169.9	0	109.3	E886 F924 Y926 F939	E886-K942 VanDerWaalsContact CD-NZ 3.33Å; E886-K942 IonicContact OE1-NZ 3.42Å; E886-K942 PolarHBondContact OE1-NZ 3.36Å; E886-K942 IonicContact OE2-NZ 3.24Å; E886-K942 PolarHBondContact OE2-NZ 3.19Å; F924-K942 HydrophobicContact CB-CD 4.39Å; F924-K942 HydrophobicContact CB-CG 3.81Å; F924-K942 HydrophobicContact CD1-CD 4Å; F924-K942 HydrophobicContact CD1-CG 3.78Å; F924-K942 HydrophobicContact CE1-CD 4.4Å; F924-K942 VanDerWaalsContact CE2-CE 3.41Å; F924-K942 HydrophobicContact CG-CD 4.06Å; F924-K942 HydrophobicContact CG-CG 3.9Å; Y926-K942 HydrophobicContact CD2-CG 4.41Å; Y926-K942 HydrophobicContact CE1-CB 4.44Å; Y926-K942 HydrophobicContact CE1-CD 4.01Å; Y926-K942 HydrophobicContact CE1-CG 4.26Å; Y926-K942 HydrophobicContact CE2-CD 4.03Å; Y926-K942 HydrophobicContact CE2-CG 4.14Å; Y926-K942 VanDerWaalsContact OH-CE 3.29Å; Y926-K942 WeakPolarHBondContact OH-CE 3.48Å; Y926-K942 PolarHBondContact OH-NZ 3.3Å; F939-K942 HydrophobicContact CE2-CB 4.31Å; F939-K942 HydrophobicContact CZ-CB 4.12Å
943	T	98.5	Very high	97.2	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.025	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	116.2	-178.5	-56.2	0	0	0	0	110.3	F924 V925 K976 L977	F924-T943 CarbonylContact C-O 3.57Å; F924-T943 VanDerWaalsContact CA-O 3.32Å; F924-T943 WeakPolarHBondContact CA-O 3.37Å; V925-T943 PolarHBondContact N-O 3.41Å; V925-T943 PolarHBondContact O-N 3.11Å; T943-K976 HydrophobicContact CG2-CB 4.03Å; T943-K976 WeakPolarHBondContact OG1-CA 3.4Å; T943-L977 HydrophobicContact CG2-CB 4.22Å; T943-L977 PolarHBondContact OG1-N 3.3Å
944	P	98.3	Very high	97.5	Very high	88 Å²	88	43.1 Å²	43.1	57%	0.571	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	140.7	176.5	29.1	-34.1	0	0	0	111.5	F924	F924-P944 HydrophobicContact CD1-CB 4.31Å; F924-P944 HydrophobicContact CE1-CB 4.32Å
945	V	98	Very high	97.7	Very high	11 Å²	11	43.3 Å²	43.3	7%	0.067	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	158.9	175	-66.8	0	0	0	0	110.2	G923 V925 E947 P949 V963	G923-V945 PolarHBondContact N-O 3.4Å; G923-V945 WeakPolarHBondContact O-CG2 3.22Å; G923-V945 PolarHBondContact O-N 2.96Å; V925-V945 HydrophobicContact CG2-CG1 4.29Å; V945-E947 VanDerWaalsContact CG2-O 3.25Å; V945-E947 WeakPolarHBondContact CG2-O 2.97Å; V945-P949 HydrophobicContact CG2-CB 4.43Å; V945-P949 HydrophobicContact CG2-CG 3.98Å; V945-V963 HydrophobicContact CB-CG1 3.85Å; V945-V963 HydrophobicContact CB-CG2 4.35Å; V945-V963 HydrophobicContact CG1-CG2 4.23Å; V945-V963 HydrophobicContact CG2-CG1 4.15Å
946	E	96.1	Very high	97.5	Very high	114 Å²	114	41.8 Å²	41.8	53%	0.533	21%	0.212	S	C	.	.	S	Bend	trans	-80.9	-21	-168.7	-54.4	90.8	147.5	0	0	113.8	R968 R979	E946-R968 IonicContact OE1-CZ 3.97Å; E946-R968 IonicContact OE1-NH1 3.71Å; E946-R968 IonicContact OE1-NH2 3.66Å; E946-R968 PolarHBondContact OE1-NH2 2.9Å; E946-R968 IonicContact OE2-CZ 2.69Å; E946-R968 IonicContact OE2-NH1 2.83Å; E946-R968 PolarHBondContact OE2-NH1 2.9Å; E946-R968 IonicContact OE2-NH2 2.62Å; E946-R968 PolarHBondContact OE2-NH2 2.84Å; E946-R968 VanDerWaalsContact OE2-NH2 3.14Å; E946-R979 IonicContact OE1-NH1 3.64Å
947	E	97	Very high	97.4	Very high	40 Å²	40	38 Å²	38	19%	0.187	20%	0.203	C	C	.	.	S	Bend	trans	-142	-178.4	179.4	-143.8	-81.6	158.6	0	0	108.7	R918 V920 V945 P949 V963 G964 Y989	R918-E947 IonicContact CZ-OE1 2.6Å; R918-E947 IonicContact NE-OE1 3.38Å; R918-E947 IonicContact NH2-OE1 2.76Å; R918-E947 PolarHBondContact NH2-OE1 2.9Å; R918-E947 IonicContact NH2-OE2 3.75Å; V920-E947 HydrophobicContact CG1-CG 4.22Å; V945-E947 VanDerWaalsContact CG2-O 3.25Å; V945-E947 WeakPolarHBondContact CG2-O 2.97Å; E947-P949 VanDerWaalsContact O-CD 3.29Å; E947-P949 WeakPolarHBondContact O-CD 3.26Å; E947-V963 HydrophobicContact CB-CG1 4.05Å; E947-V963 WeakPolarHBondContact O-CG1 3.35Å; E947-G964 WeakPolarHBondContact OE2-CA 3.34Å; E947-G964 PolarHBondContact OE2-N 2.89Å; E947-G964 VanDerWaalsContact OE2-N 3.1Å; E947-Y989 WeakPolarHBondContact OE2-CE2 3.21Å
948	V	97.6	Very high	97.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.			trans	-64.4	119.3	177.9	-172.1	0	0	0	0	111.1	F889 A910 L913 R918 V920 A950 G964 Y989	F889-V948 HydrophobicContact CB-CG1 4.32Å; F889-V948 HydrophobicContact CD2-CG1 3.72Å; F889-V948 HydrophobicContact CE2-CG1 4.43Å; F889-V948 HydrophobicContact CG-CG1 4.22Å; A910-V948 HydrophobicContact CB-CB 4.33Å; A910-V948 HydrophobicContact CB-CG1 4.02Å; A910-V948 HydrophobicContact CB-CG2 3.61Å; L913-V948 HydrophobicContact CD1-CG2 4.43Å; R918-V948 VanDerWaalsContact NH2-CG2 3.3Å; V920-V948 HydrophobicContact CG2-CG2 4.07Å; V948-A950 VanDerWaalsContact C-N 3.35Å; V948-A950 HydrophobicContact CG1-CB 4.43Å; V948-A950 PolarHBondContact O-N 2.76Å; V948-G964 PolarHBondContact O-N 2.75Å; V948-Y989 HydrophobicContact CB-CE2 4.05Å; V948-Y989 WeakPolarHBondContact CB-OH 3.48Å; V948-Y989 VanDerWaalsContact CG1-OH 3.25Å; V948-Y989 WeakPolarHBondContact CG1-OH 3.22Å
949	P	98.3	Very high	97.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	84.7	169.8	27.8	-26.6	0	0	0	110	S890 G908 V909 F924 V925 V945 E947 I961 G962 V963	S890-P949 PolarHBondContact OG-O 2.91Å; G908-P949 VanDerWaalsContact CA-CG 3.48Å; V909-P949 WeakPolarHBondContact O-CD 3.15Å; F924-P949 VanDerWaalsContact O-CG 3.3Å; F924-P949 WeakPolarHBondContact O-CG 3.48Å; V925-P949 HydrophobicContact CG2-CB 4Å; V925-P949 HydrophobicContact CG2-CG 4.08Å; V945-P949 HydrophobicContact CG2-CB 4.43Å; V945-P949 HydrophobicContact CG2-CG 3.98Å; E947-P949 VanDerWaalsContact O-CD 3.29Å; E947-P949 WeakPolarHBondContact O-CD 3.26Å; P949-I961 HydrophobicContact CB-CG2 3.77Å; P949-G962 CarbonylContact C-O 3.57Å; P949-G962 VanDerWaalsContact CA-O 3.27Å; P949-G962 WeakPolarHBondContact CA-O 3.43Å; P949-V963 HydrophobicContact CB-CG2 4.43Å
950	A	97	Very high	97.3	Very high	14 Å²	14	30 Å²	30	12%	0.116	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-18.1	-168.5	0	0	0	0	0	114.7	S890 V948 G962 Y989 I990	S890-A950 WeakPolarHBondContact CB-O 3.34Å; V948-A950 VanDerWaalsContact C-N 3.35Å; V948-A950 HydrophobicContact CG1-CB 4.43Å; V948-A950 PolarHBondContact O-N 2.76Å; A950-G962 PolarHBondContact N-O 2.88Å; A950-Y989 HydrophobicContact CB-CD1 4.38Å; A950-Y989 HydrophobicContact CB-CE1 3.38Å; A950-Y989 HydrophobicContact CB-CE2 4.24Å; A950-Y989 WeakPolarHBondContact CB-OH 3.33Å; A950-I990 WeakPolarHBondContact CB-O 3.32Å
951	A	98.1	Very high	97.3	Very high	4 Å²	4	27 Å²	27	3%	0.033	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	132.7	178	0	0	0	0	0	110.2	I961 G962 I990 I993	A951-I961 CarbonylContact O-C 3.45Å; A951-I961 VanDerWaalsContact O-CA 3.31Å; A951-I961 WeakPolarHBondContact O-CA 3.3Å; A951-G962 PolarHBondContact O-N 3.46Å; A951-I990 HydrophobicContact CB-CG2 4.13Å; A951-I993 HydrophobicContact CB-CB 4.46Å; A951-I993 HydrophobicContact CB-CD1 3.84Å; A951-I993 HydrophobicContact CB-CG1 3.79Å
952	I	98.6	Very high	97.3	Very high	14 Å²	14	26.5 Å²	26.5	7%	0.072	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	130.2	175.5	-57.1	170.8	0	0	0	107.6	S890 A892 L906 L960 I961	S890-I952 VanDerWaalsContact OG-CD1 3.27Å; S890-I952 WeakPolarHBondContact OG-CD1 3.42Å; S890-I952 WeakPolarHBondContact OG-CG1 3.3Å; A892-I952 HydrophobicContact CB-CB 3.88Å; A892-I952 HydrophobicContact CB-CG2 3.47Å; A892-I952 VanDerWaalsContact CB-CG2 3.47Å; L906-I952 HydrophobicContact CB-CD1 4.04Å; L906-I952 HydrophobicContact CB-CG2 4.26Å; L906-I952 HydrophobicContact CD1-CG2 4.12Å; I952-L960 CarbonylContact C-O 3.48Å; I952-L960 WeakPolarHBondContact CA-O 3.27Å; I952-I961 HydrophobicContact CG1-CG1 4.23Å; I952-I961 HydrophobicContact CG1-CG2 4.18Å; I952-I961 HydrophobicContact CG2-CG1 4.26Å
953	A	98.1	Very high	97.4	Very high	7 Å²	7	24 Å²	24	6%	0.058	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	132.2	177.3	0	0	0	0	0	110.9	F955 V959 L960 I993 T995	A953-F955 PolarHBondContact O-N 2.87Å; A953-V959 WeakPolarHBondContact O-CA 3.25Å; A953-L960 PolarHBondContact N-O 3.03Å; A953-L960 PolarHBondContact O-N 2.78Å; A953-I993 HydrophobicContact CB-CB 3.99Å; A953-I993 HydrophobicContact CB-CG2 3.71Å; A953-T995 HydrophobicContact CB-CG2 4.08Å
954	P	97.1	Very high	97.3	Very high	61 Å²	61	23.9 Å²	23.9	40%	0.396	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	137.2	167.7	-18.9	30.9	0	0	0	110.4	V893 C894 T995	V893-P954 VanDerWaalsContact O-CG 3.3Å; V893-P954 WeakPolarHBondContact O-CG 3.38Å; C894-P954 HydrophobicContact CB-CB 3.98Å; C894-P954 HydrophobicContact CB-CG 3.92Å; P954-T995 PolarHBondContact O-OG1 3.48Å
955	F	96.6	Very high	97.2	Very high	7 Å²	7	25 Å²	25	3%	0.031	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	109.7	-176.2	-175.6	-115.3	0	0	0	111.9	A953 G957 R958 L960 T995 V1000 Y1014	A953-F955 PolarHBondContact O-N 2.87Å; F955-G957 PolarHBondContact O-N 2.85Å; F955-R958 PolarHBondContact N-O 3.22Å; F955-R958 CarbonylContact O-C 3.53Å; F955-R958 VanDerWaalsContact O-C 3.28Å; F955-R958 WeakPolarHBondContact O-CA 3.38Å; F955-R958 VanDerWaalsContact O-CB 3.29Å; F955-R958 WeakPolarHBondContact O-CB 3.5Å; F955-R958 PolarHBondContact O-N 3.34Å; F955-L960 HydrophobicContact CB-CB 4.44Å; F955-L960 HydrophobicContact CB-CD1 3.74Å; F955-L960 HydrophobicContact CB-CG 3.87Å; F955-L960 HydrophobicContact CD1-CD1 3.69Å; F955-L960 HydrophobicContact CD1-CG 3.86Å; F955-L960 HydrophobicContact CD2-CD1 3.77Å; F955-L960 HydrophobicContact CE1-CD1 4.2Å; F955-L960 HydrophobicContact CE2-CD1 4.28Å; F955-L960 HydrophobicContact CG-CD1 3.45Å; F955-L960 VanDerWaalsContact CG-CD1 3.45Å; F955-L960 HydrophobicContact CG-CG 3.89Å; F955-L960 HydrophobicContact CZ-CD1 4.47Å; F955-T995 HydrophobicContact CB-CG2 4.42Å; F955-T995 HydrophobicContact CD2-CG2 3.77Å; F955-T995 HydrophobicContact CE2-CG2 4.49Å; F955-T995 HydrophobicContact CG-CG2 4.42Å; F955-V1000 HydrophobicContact CD2-CG2 4.38Å; F955-V1000 HydrophobicContact CE2-CG2 3.82Å; F955-V1000 HydrophobicContact CZ-CG2 3.95Å; F955-Y1014 AromaticContact CE1-CD1 3.41Å; F955-Y1014 HydrophobicContact CE1-CD1 3.41Å; F955-Y1014 VanDerWaalsContact CE1-CD1 3.41Å; F955-Y1014 HydrophobicContact CE1-CD2 4.38Å; F955-Y1014 AromaticContact CE1-CE1 3.95Å; F955-Y1014 HydrophobicContact CE1-CE1 3.95Å; F955-Y1014 AromaticContact CE1-CG 3.65Å; F955-Y1014 HydrophobicContact CE1-CG 3.65Å; F955-Y1014 AromaticContact CZ-CD1 3.65Å; F955-Y1014 HydrophobicContact CZ-CD1 3.65Å; F955-Y1014 AromaticContact CZ-CG 3.85Å; F955-Y1014 HydrophobicContact CZ-CG 3.85Å
956	Q	93.6	Very high	97.2	Very high	58 Å²	58	25.9 Å²	25.9	27%	0.271	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	46.2	173.2	-54.3	-166.9	-0.5	0	0	115.1	R958 G997 H998	Q956-R958 PolarHBondContact O-N 2.83Å; Q956-G997 PolarHBondContact NE2-O 2.69Å; Q956-H998 PolarHBondContact NE2-ND1 3.14Å; Q956-H998 VanDerWaalsContact NE2-ND1 3.16Å
957	G	94.5	Very high	97.3	Very high	29 Å²	29	20.4 Å²	20.4	30%	0.299	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	22.5	-177.9	0	0	0	0	0	113.9	R895 F896 S897 F955	R895-G957 CarbonylContact O-C 3.53Å; F896-G957 WeakPolarHBondContact CA-O 3.29Å; S897-G957 PolarHBondContact N-O 3.02Å; S897-G957 PolarHBondContact OG-O 2.83Å; F955-G957 PolarHBondContact O-N 2.85Å
958	R	95.9	Very high	97.3	Very high	51 Å²	51	18.8 Å²	18.8	19%	0.192	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	-167.3	175.8	-67.6	-176.7	-172.2	168.7	3.2	107.6	F955 Q956 V969 Y970 D971 Y1014	F955-R958 PolarHBondContact N-O 3.22Å; F955-R958 CarbonylContact O-C 3.53Å; F955-R958 VanDerWaalsContact O-C 3.28Å; F955-R958 WeakPolarHBondContact O-CA 3.38Å; F955-R958 VanDerWaalsContact O-CB 3.29Å; F955-R958 WeakPolarHBondContact O-CB 3.5Å; F955-R958 PolarHBondContact O-N 3.34Å; Q956-R958 PolarHBondContact O-N 2.83Å; R958-V969 HydrophobicContact CB-CG1 4.17Å; R958-Y970 VanDerWaalsContact CB-O 3.31Å; R958-Y970 WeakPolarHBondContact CB-O 3.34Å; R958-D971 HydrophobicContact CG-CB 4.38Å; R958-Y1014 PolarHBondContact NH1-OH 2.94Å
959	V	97.9	Very high	97.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.3	174.3	-61	0	0	0	0	112.1	C894 F896 L906 A953 I961 V969 Y970	C894-V959 HydrophobicContact CB-CG1 3.87Å; C894-V959 VanDerWaalsContact SG-CG1 3.5Å; F896-V959 HydrophobicContact CE1-CG1 4.02Å; F896-V959 HydrophobicContact CE1-CG2 4.16Å; F896-V959 HydrophobicContact CZ-CG1 3.85Å; F896-V959 HydrophobicContact CZ-CG2 4.2Å; L906-V959 HydrophobicContact CD1-CB 4.04Å; L906-V959 HydrophobicContact CD1-CG1 3.68Å; L906-V959 HydrophobicContact CD1-CG2 3.68Å; A953-V959 WeakPolarHBondContact O-CA 3.25Å; V959-I961 HydrophobicContact CG2-CD1 4.15Å; V959-I961 HydrophobicContact CG2-CG1 4.16Å; V959-V969 CarbonylContact O-C 3.54Å; V959-V969 WeakPolarHBondContact O-CA 3.26Å; V959-Y970 PolarHBondContact N-O 3.18Å; V959-Y970 PolarHBondContact O-N 3.09Å
960	L	98.4	Very high	97.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	135.4	166	-80.1	162.6	0	0	0	109.2	I952 A953 F955 L967 R968 V969 I993 T995 V1000 L1021	I952-L960 CarbonylContact C-O 3.48Å; I952-L960 WeakPolarHBondContact CA-O 3.27Å; A953-L960 PolarHBondContact N-O 3.03Å; A953-L960 PolarHBondContact O-N 2.78Å; F955-L960 HydrophobicContact CB-CB 4.44Å; F955-L960 HydrophobicContact CB-CD1 3.74Å; F955-L960 HydrophobicContact CB-CG 3.87Å; F955-L960 HydrophobicContact CD1-CD1 3.69Å; F955-L960 HydrophobicContact CD1-CG 3.86Å; F955-L960 HydrophobicContact CD2-CD1 3.77Å; F955-L960 HydrophobicContact CE1-CD1 4.2Å; F955-L960 HydrophobicContact CE2-CD1 4.28Å; F955-L960 HydrophobicContact CG-CD1 3.45Å; F955-L960 VanDerWaalsContact CG-CD1 3.45Å; F955-L960 HydrophobicContact CG-CG 3.89Å; F955-L960 HydrophobicContact CZ-CD1 4.47Å; L960-L967 HydrophobicContact CD2-CD1 4.03Å; L960-L967 HydrophobicContact CD2-CG 4.15Å; L960-R968 CarbonylContact C-O 3.36Å; L960-R968 WeakPolarHBondContact CA-O 3.4Å; L960-V969 HydrophobicContact CD2-CB 4.49Å; L960-V969 HydrophobicContact CD2-CG2 3.54Å; L960-V969 HydrophobicContact CG-CG2 4.38Å; L960-I993 HydrophobicContact CB-CD1 4.33Å; L960-I993 HydrophobicContact CB-CG2 4.26Å; L960-I993 HydrophobicContact CD1-CG2 4.3Å; L960-T995 HydrophobicContact CD1-CG2 3.71Å; L960-V1000 HydrophobicContact CD1-CB 4.28Å; L960-V1000 HydrophobicContact CD1-CG1 3.81Å; L960-V1000 HydrophobicContact CD1-CG2 3.43Å; L960-V1000 VanDerWaalsContact CD1-CG2 3.43Å; L960-L1021 HydrophobicContact CD2-CD1 4.14Å; L960-L1021 HydrophobicContact CD2-CD2 4.35Å
961	I	98.6	Very high	97.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	127.2	178.3	-52.4	-174.6	0	0	0	109.1	V925 P949 A951 I952 V959 V963 R968 Y970 L977	V925-I961 HydrophobicContact CG1-CD1 4.08Å; V925-I961 HydrophobicContact CG2-CD1 3.96Å; P949-I961 HydrophobicContact CB-CG2 3.77Å; A951-I961 CarbonylContact O-C 3.45Å; A951-I961 VanDerWaalsContact O-CA 3.31Å; A951-I961 WeakPolarHBondContact O-CA 3.3Å; I952-I961 HydrophobicContact CG1-CG1 4.23Å; I952-I961 HydrophobicContact CG1-CG2 4.18Å; I952-I961 HydrophobicContact CG2-CG1 4.26Å; V959-I961 HydrophobicContact CG2-CD1 4.15Å; V959-I961 HydrophobicContact CG2-CG1 4.16Å; I961-V963 HydrophobicContact CG2-CG2 3.79Å; I961-R968 PolarHBondContact N-O 2.94Å; I961-R968 PolarHBondContact O-N 2.89Å; I961-Y970 HydrophobicContact CB-CD2 4.02Å; I961-Y970 HydrophobicContact CB-CE2 4Å; I961-Y970 HydrophobicContact CD1-CD2 3.7Å; I961-Y970 HydrophobicContact CD1-CE2 4.08Å; I961-Y970 HydrophobicContact CD1-CG 4.31Å; I961-Y970 HydrophobicContact CG1-CD2 3.84Å; I961-Y970 HydrophobicContact CG1-CE2 4.27Å; I961-L977 HydrophobicContact CD1-CD1 3.95Å
962	G	98.3	Very high	97.2	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	-88.8	108.9	168.6	0	0	0	0	0	109.4	P949 A950 A951 L966	P949-G962 CarbonylContact C-O 3.57Å; P949-G962 VanDerWaalsContact CA-O 3.27Å; P949-G962 WeakPolarHBondContact CA-O 3.43Å; A950-G962 PolarHBondContact N-O 2.88Å; A951-G962 PolarHBondContact O-N 3.46Å; G962-L966 CarbonylContact C-O 3.55Å; G962-L966 WeakPolarHBondContact CA-O 3.3Å
963	V	98.1	Very high	97.1	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	96	179.3	-178.7	0	0	0	0	107.8	V945 E947 P949 I961 K965 L966	V945-V963 HydrophobicContact CB-CG1 3.85Å; V945-V963 HydrophobicContact CB-CG2 4.35Å; V945-V963 HydrophobicContact CG1-CG2 4.23Å; V945-V963 HydrophobicContact CG2-CG1 4.15Å; E947-V963 HydrophobicContact CB-CG1 4.05Å; E947-V963 WeakPolarHBondContact O-CG1 3.35Å; P949-V963 HydrophobicContact CB-CG2 4.43Å; I961-V963 HydrophobicContact CG2-CG2 3.79Å; V963-K965 PolarHBondContact O-N 3.31Å; V963-K965 VanDerWaalsContact O-N 3.09Å; V963-L966 HydrophobicContact CB-CB 4.43Å; V963-L966 PolarHBondContact N-O 2.87Å; V963-L966 WeakPolarHBondContact O-CB 3.4Å; V963-L966 PolarHBondContact O-N 2.87Å
964	G	96.9	Very high	96.9	Very high	3 Å²	3	29.3 Å²	29.3	3%	0.031	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-114.2	-165.1	0	0	0	0	0	110.4	E947 V948 I990	E947-G964 WeakPolarHBondContact OE2-CA 3.34Å; E947-G964 PolarHBondContact OE2-N 2.89Å; E947-G964 VanDerWaalsContact OE2-N 3.1Å; V948-G964 PolarHBondContact O-N 2.75Å; G964-I990 WeakPolarHBondContact O-CB 3.12Å; G964-I990 WeakPolarHBondContact O-CG1 3.2Å; G964-I990 PolarHBondContact O-N 3.22Å
965	K	96.2	Very high	96.9	Very high	110 Å²	110	35.3 Å²	35.3	48%	0.478	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-1	175.9	71.1	178.6	-177.5	177.7	0	115.5	V963 N988	V963-K965 PolarHBondContact O-N 3.31Å; V963-K965 VanDerWaalsContact O-N 3.09Å; K965-N988 WeakPolarHBondContact CA-O 3.29Å; K965-N988 WeakPolarHBondContact CB-O 3.5Å
966	L	98	Very high	96.9	Very high	30 Å²	30	40.5 Å²	40.5	16%	0.157	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.6	-173.8	-54.5	174.7	0	0	0	109.9	G962 V963 K984	G962-L966 CarbonylContact C-O 3.55Å; G962-L966 WeakPolarHBondContact CA-O 3.3Å; V963-L966 HydrophobicContact CB-CB 4.43Å; V963-L966 PolarHBondContact N-O 2.87Å; V963-L966 WeakPolarHBondContact O-CB 3.4Å; V963-L966 PolarHBondContact O-N 2.87Å; L966-K984 HydrophobicContact CD2-CB 4.22Å; L966-K984 HydrophobicContact CD2-CG 3.96Å
967	L	98.2	Very high	97.1	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.7	171.9	-179.5	69.7	0	0	0	109.6	L960 E982 N983 I986 I990 I993 V1000 V1002 V1012 L1021	L960-L967 HydrophobicContact CD2-CD1 4.03Å; L960-L967 HydrophobicContact CD2-CG 4.15Å; L967-E982 CarbonylContact O-C 3.52Å; L967-E982 WeakPolarHBondContact O-CA 3.46Å; L967-N983 HydrophobicContact CB-CB 4.4Å; L967-N983 PolarHBondContact N-O 2.87Å; L967-N983 VanDerWaalsContact N-O 3.15Å; L967-N983 PolarHBondContact O-N 3.24Å; L967-I986 HydrophobicContact CB-CD1 3.73Å; L967-I986 HydrophobicContact CD2-CD1 4.47Å; L967-I990 HydrophobicContact CB-CD1 3.99Å; L967-I993 HydrophobicContact CD1-CD1 3.6Å; L967-I993 HydrophobicContact CD1-CG1 4.18Å; L967-V1000 HydrophobicContact CD2-CG1 4.29Å; L967-V1002 HydrophobicContact CD1-CG2 4.35Å; L967-V1002 HydrophobicContact CD2-CG2 3.83Å; L967-V1012 HydrophobicContact CD2-CG1 4.26Å; L967-V1012 HydrophobicContact CD2-CG2 4.33Å; L967-L1021 HydrophobicContact CD2-CD1 3.87Å; L967-L1021 HydrophobicContact CD2-CD2 4.35Å; L967-L1021 HydrophobicContact CG-CD1 3.89Å
968	R	97.6	Very high	97.3	Very high	6 Å²	6	40 Å²	40	2%	0.023	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.5	-174	-69.6	175.7	173.8	172.9	-3.6	112.7	E946 L960 I961 Y970 C981 E982	E946-R968 IonicContact OE1-CZ 3.97Å; E946-R968 IonicContact OE1-NH1 3.71Å; E946-R968 IonicContact OE1-NH2 3.66Å; E946-R968 PolarHBondContact OE1-NH2 2.9Å; E946-R968 IonicContact OE2-CZ 2.69Å; E946-R968 IonicContact OE2-NH1 2.83Å; E946-R968 PolarHBondContact OE2-NH1 2.9Å; E946-R968 IonicContact OE2-NH2 2.62Å; E946-R968 PolarHBondContact OE2-NH2 2.84Å; E946-R968 VanDerWaalsContact OE2-NH2 3.14Å; L960-R968 CarbonylContact C-O 3.36Å; L960-R968 WeakPolarHBondContact CA-O 3.4Å; I961-R968 PolarHBondContact N-O 2.94Å; I961-R968 PolarHBondContact O-N 2.89Å; R968-Y970 HydrophobicContact CB-CD2 3.92Å; R968-Y970 HydrophobicContact CB-CE2 3.37Å; R968-Y970 WeakPolarHBondContact CD-OH 3.31Å; R968-Y970 HydrophobicContact CG-CE2 4.24Å; R968-Y970 PolarHBondContact NH1-OH 3.06Å; R968-Y970 VanDerWaalsContact NH1-OH 3.11Å; R968-C981 CarbonylContact C-O 3.56Å; R968-C981 VanDerWaalsContact CA-O 3.27Å; R968-C981 WeakPolarHBondContact CA-O 3.49Å; R968-E982 HydrophobicContact CG-CB 4Å; R968-E982 HydrophobicContact CG-CG 3.86Å; R968-E982 IonicContact CZ-OE2 2.61Å; R968-E982 IonicContact NE-OE2 2.81Å; R968-E982 PolarHBondContact NE-OE2 2.78Å; R968-E982 IonicContact NH2-OE2 3.19Å; R968-E982 PolarHBondContact NH2-OE2 2.93Å
969	V	97.6	Very high	97.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.9	166.6	-177.7	0	0	0	0	108.8	R958 V959 L960 K980 C981 Y1014 L1021	R958-V969 HydrophobicContact CB-CG1 4.17Å; V959-V969 CarbonylContact O-C 3.54Å; V959-V969 WeakPolarHBondContact O-CA 3.26Å; L960-V969 HydrophobicContact CD2-CB 4.49Å; L960-V969 HydrophobicContact CD2-CG2 3.54Å; L960-V969 HydrophobicContact CG-CG2 4.38Å; V969-K980 HydrophobicContact CB-CB 4.44Å; V969-K980 HydrophobicContact CG1-CB 4.38Å; V969-K980 PolarHBondContact O-N 3.02Å; V969-C981 HydrophobicContact CB-CB 4Å; V969-C981 HydrophobicContact CG2-CB 3.98Å; V969-C981 PolarHBondContact N-O 2.99Å; V969-C981 PolarHBondContact O-N 3.05Å; V969-Y1014 HydrophobicContact CG2-CE2 4.31Å; V969-L1021 HydrophobicContact CG2-CD1 4.05Å; V969-L1021 HydrophobicContact CG2-CG 4.42Å
970	Y	97.7	Very high	97.1	Very high	8 Å²	8	47.9 Å²	47.9	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.6	174.8	-71.5	-90.9	0	0	0	111.6	R958 V959 I961 R968 L977 L978 R979	R958-Y970 VanDerWaalsContact CB-O 3.31Å; R958-Y970 WeakPolarHBondContact CB-O 3.34Å; V959-Y970 PolarHBondContact N-O 3.18Å; V959-Y970 PolarHBondContact O-N 3.09Å; I961-Y970 HydrophobicContact CB-CD2 4.02Å; I961-Y970 HydrophobicContact CB-CE2 4Å; I961-Y970 HydrophobicContact CD1-CD2 3.7Å; I961-Y970 HydrophobicContact CD1-CE2 4.08Å; I961-Y970 HydrophobicContact CD1-CG 4.31Å; I961-Y970 HydrophobicContact CG1-CD2 3.84Å; I961-Y970 HydrophobicContact CG1-CE2 4.27Å; R968-Y970 HydrophobicContact CB-CD2 3.92Å; R968-Y970 HydrophobicContact CB-CE2 3.37Å; R968-Y970 WeakPolarHBondContact CD-OH 3.31Å; R968-Y970 HydrophobicContact CG-CE2 4.24Å; R968-Y970 PolarHBondContact NH1-OH 3.06Å; R968-Y970 VanDerWaalsContact NH1-OH 3.11Å; Y970-L977 HydrophobicContact CD1-CB 3.59Å; Y970-L977 HydrophobicContact CE1-CB 4.35Å; Y970-L977 HydrophobicContact CG-CB 4.12Å; Y970-L977 HydrophobicContact CG-CD1 4.47Å; Y970-L978 WeakPolarHBondContact CA-O 3.28Å; Y970-R979 HydrophobicContact CD1-CB 4.14Å; Y970-R979 HydrophobicContact CE1-CB 3.78Å; Y970-R979 HydrophobicContact CE1-CG 4.35Å
971	D	97	Very high	96.9	Very high	15 Å²	15	48.3 Å²	48.3	8%	0.08	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	159	170.5	-160.7	0.7	0	0	0	109.4	N898 R958 L978 K980	N898-D971 PolarHBondContact ND2-OD1 3.47Å; R958-D971 HydrophobicContact CG-CB 4.38Å; D971-L978 HydrophobicContact CB-CB 4.47Å; D971-L978 PolarHBondContact N-O 3.36Å; D971-L978 PolarHBondContact O-N 2.84Å; D971-K980 HydrophobicContact CB-CD 4.3Å; D971-K980 HydrophobicContact CB-CG 3.99Å; D971-K980 IonicContact OD2-NZ 2.68Å
972	L	97.5	Very high	96.7	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.063	23%	0.228	C	C	.	.			trans	-71.5	135.4	-178.7	-170.2	63.4	0	0	0	110.6	F896 N898 T899 Y904 T927 L977	F896-L972 HydrophobicContact CB-CB 3.92Å; F896-L972 HydrophobicContact CB-CD2 4.36Å; F896-L972 HydrophobicContact CD1-CB 3.63Å; F896-L972 HydrophobicContact CD2-CB 3.75Å; F896-L972 HydrophobicContact CD2-CD1 4.3Å; F896-L972 HydrophobicContact CD2-CD2 3.86Å; F896-L972 HydrophobicContact CD2-CG 4.2Å; F896-L972 HydrophobicContact CE1-CB 3.97Å; F896-L972 HydrophobicContact CE2-CB 4.08Å; F896-L972 HydrophobicContact CE2-CD1 4.05Å; F896-L972 HydrophobicContact CE2-CD2 4.4Å; F896-L972 HydrophobicContact CE2-CG 4.41Å; F896-L972 HydrophobicContact CG-CB 3.5Å; F896-L972 VanDerWaalsContact CG-CB 3.5Å; F896-L972 HydrophobicContact CG-CD2 4.24Å; F896-L972 HydrophobicContact CG-CG 4.4Å; F896-L972 HydrophobicContact CZ-CB 4.17Å; F896-L972 HydrophobicContact CZ-CD1 4.39Å; N898-L972 PolarHBondContact ND2-O 3.36Å; T899-L972 HydrophobicContact CG2-CD2 3.6Å; Y904-L972 HydrophobicContact CD1-CD2 4.2Å; Y904-L972 HydrophobicContact CE1-CD2 3.6Å; Y904-L972 HydrophobicContact CE2-CD2 3.99Å; Y904-L972 VanDerWaalsContact CZ-CD2 3.48Å; T927-L972 HydrophobicContact CG2-CD1 3.85Å; L972-L977 HydrophobicContact CD1-CD2 4.05Å
973	G	96.1	Very high	96.6	Very high	13 Å²	13	50.9 Å²	50.9	13%	0.134	23%	0.229	C	C	.	.			trans	-127.7	167.6	172.6	0	0	0	0	0	110.9	H941 K976	H941-G973 PolarHBondContact CD2-O 3.4Å; H941-G973 PolarHBondContact NE2-O 2.9Å; H941-G973 VanDerWaalsContact NE2-O 3.08Å; G973-K976 CarbonylContact C-O 3.45Å; G973-K976 WeakPolarHBondContact CA-O 3.41Å; G973-K976 PolarHBondContact N-O 3.25Å
974	K	93.6	Very high	96.4	Very high	212 Å²	212	57 Å²	57	92%	0.922	26%	0.256	S	S	*	.	S	Bend	trans	-72.1	-34.4	-175.5	-65.9	-173.3	177	-174.2	0	114.1
975	K	96.4	Very high	96.1	Very high	186 Å²	186	63 Å²	63	81%	0.809	28%	0.283	S	S	*	.	S	Bend	trans	-112.6	-16.7	-175.9	-65.7	-170.8	177	-172.6	0	113.7	H941	H941-K975 WeakPolarHBondContact CB-O 3.32Å
976	K	97.4	Very high	96	Very high	117 Å²	117	57.9 Å²	57.9	51%	0.509	26%	0.261	S	S	.	.	S	Bend	trans	-170.3	161.1	-177.5	59	-178.8	-178.7	-178.8	0	109.2	H941 T943 G973	H941-K976 PolarHBondContact CD2-N 3.07Å; T943-K976 HydrophobicContact CG2-CB 4.03Å; T943-K976 WeakPolarHBondContact OG1-CA 3.4Å; G973-K976 CarbonylContact C-O 3.45Å; G973-K976 WeakPolarHBondContact CA-O 3.41Å; G973-K976 PolarHBondContact N-O 3.25Å
977	L	98	Very high	95.7	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.026	28%	0.277	C	S	.	.			trans	-62.6	139.4	167.4	-65.3	176.1	0	0	0	110.6	F896 L906 V925 H941 T943 I961 Y970 L972	F896-L977 HydrophobicContact CE1-CD2 4.45Å; F896-L977 HydrophobicContact CZ-CD2 4.01Å; L906-L977 HydrophobicContact CD1-CD1 4.32Å; V925-L977 HydrophobicContact CB-CD1 4.1Å; V925-L977 HydrophobicContact CG1-CD1 3.62Å; H941-L977 PolarHBondContact CE1-N 2.98Å; T943-L977 HydrophobicContact CG2-CB 4.22Å; T943-L977 PolarHBondContact OG1-N 3.3Å; I961-L977 HydrophobicContact CD1-CD1 3.95Å; Y970-L977 HydrophobicContact CD1-CB 3.59Å; Y970-L977 HydrophobicContact CE1-CB 4.35Å; Y970-L977 HydrophobicContact CG-CB 4.12Å; Y970-L977 HydrophobicContact CG-CD1 4.47Å; L972-L977 HydrophobicContact CD1-CD2 4.05Å
978	L	97.2	Very high	95.5	Very high	70 Å²	70	61.5 Å²	61.5	37%	0.366	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	107.8	-178.4	-57.1	-179.8	0	0	0	109.7	Y970 D971 K980	Y970-L978 WeakPolarHBondContact CA-O 3.28Å; D971-L978 HydrophobicContact CB-CB 4.47Å; D971-L978 PolarHBondContact N-O 3.36Å; D971-L978 PolarHBondContact O-N 2.84Å; L978-K980 PolarHBondContact O-N 3.26Å
979	R	96	Very high	95.4	Very high	140 Å²	140	63.8 Å²	63.8	53%	0.528	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	119.5	173.9	-173.2	174.6	67.8	-167.7	0.7	109.9	E946 Y970	E946-R979 IonicContact OE1-NH1 3.64Å; Y970-R979 HydrophobicContact CD1-CB 4.14Å; Y970-R979 HydrophobicContact CE1-CB 3.78Å; Y970-R979 HydrophobicContact CE1-CG 4.35Å
980	K	95.3	Very high	95.4	Very high	78 Å²	78	63.8 Å²	63.8	34%	0.339	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-46.9	179.7	-60.3	-58.2	-178.9	175.2	0	112.1	V969 D971 L978 N1019	V969-K980 HydrophobicContact CB-CB 4.44Å; V969-K980 HydrophobicContact CG1-CB 4.38Å; V969-K980 PolarHBondContact O-N 3.02Å; D971-K980 HydrophobicContact CB-CD 4.3Å; D971-K980 HydrophobicContact CB-CG 3.99Å; D971-K980 IonicContact OD2-NZ 2.68Å; L978-K980 PolarHBondContact O-N 3.26Å; K980-N1019 PolarHBondContact O-ND2 3.11Å
981	C	93.7	Very high	95.4	Very high	9 Å²	9	65.4 Å²	65.4	6%	0.061	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	153.3	-175.6	-179.3	0	0	0	0	109.2	R968 V969 N1019	R968-C981 CarbonylContact C-O 3.56Å; R968-C981 VanDerWaalsContact CA-O 3.27Å; R968-C981 WeakPolarHBondContact CA-O 3.49Å; V969-C981 HydrophobicContact CB-CB 4Å; V969-C981 HydrophobicContact CG2-CB 3.98Å; V969-C981 PolarHBondContact N-O 2.99Å; V969-C981 PolarHBondContact O-N 3.05Å; C981-N1019 WeakPolarHBondContact CB-O 3.45Å; C981-N1019 PolarHBondContact SG-O 3.04Å
982	E	95.1	Very high	95.4	Very high	50 Å²	50	65.2 Å²	65.2	23%	0.234	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	134.7	176.8	178.8	176.5	56.7	0	0	109.9	L967 R968 K984	L967-E982 CarbonylContact O-C 3.52Å; L967-E982 WeakPolarHBondContact O-CA 3.46Å; R968-E982 HydrophobicContact CG-CB 4Å; R968-E982 HydrophobicContact CG-CG 3.86Å; R968-E982 IonicContact CZ-OE2 2.61Å; R968-E982 IonicContact NE-OE2 2.81Å; R968-E982 PolarHBondContact NE-OE2 2.78Å; R968-E982 IonicContact NH2-OE2 3.19Å; R968-E982 PolarHBondContact NH2-OE2 2.93Å; E982-K984 VanDerWaalsContact CD-CE 3.42Å; E982-K984 HydrophobicContact CG-CG 4Å; E982-K984 WeakPolarHBondContact OE1-CE 3.17Å; E982-K984 IonicContact OE1-NZ 3.17Å; E982-K984 PolarHBondContact OE1-NZ 2.91Å
983	N	94.7	Very high	95.4	Very high	4 Å²	4	65.5 Å²	65.5	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.9	163.2	-177.5	-67.3	0	0	0	109.1	L967 H985 L1021	L967-N983 HydrophobicContact CB-CB 4.4Å; L967-N983 PolarHBondContact N-O 2.87Å; L967-N983 VanDerWaalsContact N-O 3.15Å; L967-N983 PolarHBondContact O-N 3.24Å; N983-H985 PolarHBondContact OD1-N 2.85Å; N983-L1021 HydrophobicContact CB-CB 3.9Å; N983-L1021 HydrophobicContact CB-CD1 4.44Å; N983-L1021 PolarHBondContact ND2-O 3.47Å
984	K	94	Very high	95.5	Very high	128 Å²	128	66.3 Å²	66.3	56%	0.557	31%	0.313	S	S	*	.			trans	-117.2	8	-176.5	-55	-175.7	177.8	175.5	0	113.5	L966 E982	L966-K984 HydrophobicContact CD2-CB 4.22Å; L966-K984 HydrophobicContact CD2-CG 3.96Å; E982-K984 VanDerWaalsContact CD-CE 3.42Å; E982-K984 HydrophobicContact CG-CG 4Å; E982-K984 WeakPolarHBondContact OE1-CE 3.17Å; E982-K984 IonicContact OE1-NZ 3.17Å; E982-K984 PolarHBondContact OE1-NZ 2.91Å
985	H	91.3	Very high	95.7	Very high	129 Å²	129	58.2 Å²	58.2	60%	0.597	28%	0.282	S	S	*	.			trans	-98.7	-3.2	-168.7	-62.9	-61.4	0	0	0	113.3	N983 I1023 E1068	N983-H985 PolarHBondContact OD1-N 2.85Å; H985-I1023 HydrophobicContact CB-CD1 3.78Å; H985-E1068 IonicContact CD2-OE1 2.69Å
986	I	93.5	Very high	95.6	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.015	26%	0.258	C	S	.	.			trans	-69.9	135	168.9	-62.4	162.6	0	0	0	108.8	L967 I990 V1002 I1010 I1023	L967-I986 HydrophobicContact CB-CD1 3.73Å; L967-I986 HydrophobicContact CD2-CD1 4.47Å; I986-I990 HydrophobicContact CD1-CD1 3.6Å; I986-I990 HydrophobicContact CD1-CG1 3.99Å; I986-I990 HydrophobicContact CG2-CG1 4Å; I986-V1002 HydrophobicContact CD1-CB 4.39Å; I986-V1002 HydrophobicContact CD1-CG1 3.86Å; I986-V1002 HydrophobicContact CD1-CG2 4.19Å; I986-I1010 HydrophobicContact CB-CD1 4.49Å; I986-I1010 HydrophobicContact CG1-CD1 4.2Å; I986-I1010 HydrophobicContact CG2-CD1 4.02Å; I986-I1023 HydrophobicContact CG1-CD1 4.18Å
987	A	91.1	Very high	95.3	Very high	60 Å²	60	49 Å²	49	50%	0.496	26%	0.259	S	S	.	.			trans	-71.5	-51.5	-169.6	0	0	0	0	0	112.5	E1007	A987-E1007 HydrophobicContact CB-CG 4.48Å
988	N	94.7	Very high	95	Very high	47 Å²	47	52.5 Å²	52.5	25%	0.251	28%	0.275	S	S	.	.	S	Bend	trans	-124.2	-162.3	-171.9	-46.3	-70.5	0	0	0	111.6	K965 I990 D1004 V1005 E1007	K965-N988 WeakPolarHBondContact CA-O 3.29Å; K965-N988 WeakPolarHBondContact CB-O 3.5Å; N988-I990 PolarHBondContact O-N 2.82Å; N988-D1004 WeakPolarHBondContact CA-OD2 3.5Å; N988-D1004 WeakPolarHBondContact CB-OD1 3.29Å; N988-D1004 WeakPolarHBondContact CB-OD2 3.46Å; N988-D1004 PolarHBondContact N-OD2 2.92Å; N988-D1004 PolarHBondContact ND2-OD1 2.86Å; N988-D1004 VanDerWaalsContact ND2-OD1 3.11Å; N988-V1005 HydrophobicContact CB-CG1 3.91Å; N988-E1007 WeakPolarHBondContact ND2-CG 3.39Å
989	Y	95.4	Very high	94.8	Very high	54 Å²	54	49.5 Å²	49.5	21%	0.212	26%	0.258	C	S	.	.			trans	-67.2	127.1	-176.7	-169.9	-95.9	0	0	0	111.7	E947 V948 A950 S991 V1005	E947-Y989 WeakPolarHBondContact OE2-CE2 3.21Å; V948-Y989 HydrophobicContact CB-CE2 4.05Å; V948-Y989 WeakPolarHBondContact CB-OH 3.48Å; V948-Y989 VanDerWaalsContact CG1-OH 3.25Å; V948-Y989 WeakPolarHBondContact CG1-OH 3.22Å; A950-Y989 HydrophobicContact CB-CD1 4.38Å; A950-Y989 HydrophobicContact CB-CE1 3.38Å; A950-Y989 HydrophobicContact CB-CE2 4.24Å; A950-Y989 WeakPolarHBondContact CB-OH 3.33Å; Y989-S991 PolarHBondContact O-N 3.1Å; Y989-V1005 WeakPolarHBondContact O-CB 3.3Å; Y989-V1005 PolarHBondContact O-N 2.79Å
990	I	98.3	Very high	94.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	109.5	176.9	-63.6	166.8	0	0	0	108.7	A950 A951 G964 L967 I986 N988 I993 V1002 S1003	A950-I990 WeakPolarHBondContact CB-O 3.32Å; A951-I990 HydrophobicContact CB-CG2 4.13Å; G964-I990 WeakPolarHBondContact O-CB 3.12Å; G964-I990 WeakPolarHBondContact O-CG1 3.2Å; G964-I990 PolarHBondContact O-N 3.22Å; L967-I990 HydrophobicContact CB-CD1 3.99Å; I986-I990 HydrophobicContact CD1-CD1 3.6Å; I986-I990 HydrophobicContact CD1-CG1 3.99Å; I986-I990 HydrophobicContact CG2-CG1 4Å; N988-I990 PolarHBondContact O-N 2.82Å; I990-I993 HydrophobicContact CG2-CD1 4.28Å; I990-I993 HydrophobicContact CG2-CG1 3.92Å; I990-V1002 HydrophobicContact CB-CG1 4.33Å; I990-V1002 HydrophobicContact CD1-CG1 4.43Å; I990-V1002 HydrophobicContact CG1-CG1 3.9Å; I990-V1002 HydrophobicContact CG2-CG1 3.72Å; I990-S1003 CarbonylContact C-O 3.44Å
991	S	96.3	Very high	95	Very high	41 Å²	41	39.1 Å²	39.1	29%	0.287	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-19.7	179.9	62.8	0	0	0	0	113.5	Y989 S1003 V1033	Y989-S991 PolarHBondContact O-N 3.1Å; S991-S1003 PolarHBondContact N-O 2.83Å; S991-S1003 WeakPolarHBondContact OG-CB 3.41Å; S991-S1003 PolarHBondContact OG-O 2.8Å; S991-V1033 PolarHBondContact OG-O 3.08Å
992	G	97.5	Very high	95.2	Very high	12 Å²	12	38.7 Å²	38.7	12%	0.124	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	153.2	-174.5	0	0	0	0	0	113	S1003	G992-S1003 PolarHBondContact N-O 2.87Å; G992-S1003 PolarHBondContact O-N 2.66Å
993	I	98.4	Very high	95.3	Very high	18 Å²	18	36.4 Å²	36.4	9%	0.092	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	125.9	177	-60.2	168.9	0	0	0	108.1	A951 A953 L960 L967 I990 T995 V1000	A951-I993 HydrophobicContact CB-CB 4.46Å; A951-I993 HydrophobicContact CB-CD1 3.84Å; A951-I993 HydrophobicContact CB-CG1 3.79Å; A953-I993 HydrophobicContact CB-CB 3.99Å; A953-I993 HydrophobicContact CB-CG2 3.71Å; L960-I993 HydrophobicContact CB-CD1 4.33Å; L960-I993 HydrophobicContact CB-CG2 4.26Å; L960-I993 HydrophobicContact CD1-CG2 4.3Å; L967-I993 HydrophobicContact CD1-CD1 3.6Å; L967-I993 HydrophobicContact CD1-CG1 4.18Å; I990-I993 HydrophobicContact CG2-CD1 4.28Å; I990-I993 HydrophobicContact CG2-CG1 3.92Å; I993-T995 HydrophobicContact CG2-CG2 4.05Å; I993-V1000 HydrophobicContact CG2-CG1 3.81Å
994	Q	97.6	Very high	95.4	Very high	29 Å²	29	36.2 Å²	36.2	14%	0.136	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143	171	-62.8	77.3	15.3	0	0	109.5	V1000 I1001 A1036 L1038	Q994-V1000 WeakPolarHBondContact O-CA 3.34Å; Q994-I1001 PolarHBondContact N-O 3.14Å; Q994-I1001 PolarHBondContact O-N 2.91Å; Q994-I1001 PolarHBondContact OE1-O 3.03Å; Q994-A1036 PolarHBondContact NE2-O 3.42Å; Q994-L1038 HydrophobicContact CB-CD1 3.65Å; Q994-L1038 HydrophobicContact CB-CG 3.69Å; Q994-L1038 HydrophobicContact CG-CG 4.28Å
995	T	96.7	Very high	95.5	Very high	43 Å²	43	31.9 Å²	31.9	26%	0.264	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	141.1	-176	73.5	0	0	0	0	111.4	A953 P954 F955 L960 I993 R999 V1000 L1038	A953-T995 HydrophobicContact CB-CG2 4.08Å; P954-T995 PolarHBondContact O-OG1 3.48Å; F955-T995 HydrophobicContact CB-CG2 4.42Å; F955-T995 HydrophobicContact CD2-CG2 3.77Å; F955-T995 HydrophobicContact CE2-CG2 4.49Å; F955-T995 HydrophobicContact CG-CG2 4.42Å; L960-T995 HydrophobicContact CD1-CG2 3.71Å; I993-T995 HydrophobicContact CG2-CG2 4.05Å; T995-R999 WeakPolarHBondContact CA-O 3.4Å; T995-V1000 HydrophobicContact CG2-CG2 4.41Å; T995-L1038 WeakPolarHBondContact O-CD1 3.2Å
996	I	95	Very high	95.7	Very high	59 Å²	59	29.1 Å²	29.1	30%	0.303	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	117.1	173.7	-172.8	167	0	0	0	109.6	H998 R999 L1038 Y1041	I996-H998 PolarHBondContact O-N 2.92Å; I996-H998 VanDerWaalsContact O-N 3.11Å; I996-R999 HydrophobicContact CG2-CB 4.32Å; I996-R999 PolarHBondContact N-O 2.69Å; I996-R999 PolarHBondContact O-N 2.76Å; I996-L1038 HydrophobicContact CB-CD1 4.06Å; I996-L1038 HydrophobicContact CG2-CD1 4.22Å; I996-L1038 HydrophobicContact CG2-CD2 4.18Å; I996-Y1041 HydrophobicContact CD1-CD2 4.48Å; I996-Y1041 HydrophobicContact CG1-CD2 4.18Å; I996-Y1041 HydrophobicContact CG2-CD2 3.78Å; I996-Y1041 HydrophobicContact CG2-CE2 4.32Å
997	G	91.5	Very high	95.8	Very high	51 Å²	51	33.4 Å²	33.4	53%	0.526	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	-115.3	-174.5	0	0	0	0	0	112.6	Q956	Q956-G997 PolarHBondContact NE2-O 2.69Å
998	H	90.6	Very high	96	Very high	77 Å²	77	30.6 Å²	30.6	36%	0.356	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	0.7	178.3	-64.4	-79.4	0	0	0	114	Q956 I996 Y1014	Q956-H998 PolarHBondContact NE2-ND1 3.14Å; Q956-H998 VanDerWaalsContact NE2-ND1 3.16Å; I996-H998 PolarHBondContact O-N 2.92Å; I996-H998 VanDerWaalsContact O-N 3.11Å; H998-Y1014 PolarHBondContact O-N 2.89Å
999	R	94	Very high	96.1	Very high	7 Å²	7	28.4 Å²	28.4	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.2	-175.6	-174.3	168.3	-76.6	177.6	0.1	110.1	T995 I996 I1001 Y1041 D1042 D1064	T995-R999 WeakPolarHBondContact CA-O 3.4Å; I996-R999 HydrophobicContact CG2-CB 4.32Å; I996-R999 PolarHBondContact N-O 2.69Å; I996-R999 PolarHBondContact O-N 2.76Å; R999-I1001 HydrophobicContact CG-CD1 4.31Å; R999-Y1041 HydrophobicContact CB-CE2 3.77Å; R999-Y1041 WeakPolarHBondContact CD-O 3.48Å; R999-Y1041 PolarHBondContact NH1-O 3.11Å; R999-Y1041 VanDerWaalsContact NH2-CE1 3.28Å; R999-D1042 IonicContact CZ-OD1 2.64Å; R999-D1042 IonicContact NH1-OD1 3.77Å; R999-D1042 PolarHBondContact NH1-OD1 2.98Å; R999-D1064 IonicContact NH2-OD2 3.08Å; R999-D1064 PolarHBondContact NH2-OD2 3Å
1000	V	96.9	Very high	96.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.6	177	-179.1	0	0	0	0	106.3	F955 L960 L967 I993 Q994 T995 V1002 V1012	F955-V1000 HydrophobicContact CD2-CG2 4.38Å; F955-V1000 HydrophobicContact CE2-CG2 3.82Å; F955-V1000 HydrophobicContact CZ-CG2 3.95Å; L960-V1000 HydrophobicContact CD1-CB 4.28Å; L960-V1000 HydrophobicContact CD1-CG1 3.81Å; L960-V1000 HydrophobicContact CD1-CG2 3.43Å; L960-V1000 VanDerWaalsContact CD1-CG2 3.43Å; L967-V1000 HydrophobicContact CD2-CG1 4.29Å; I993-V1000 HydrophobicContact CG2-CG1 3.81Å; Q994-V1000 WeakPolarHBondContact O-CA 3.34Å; T995-V1000 HydrophobicContact CG2-CG2 4.41Å; V1000-V1002 HydrophobicContact CG1-CG2 4.08Å; V1000-V1012 HydrophobicContact CB-CB 4.12Å; V1000-V1012 PolarHBondContact N-O 2.85Å; V1000-V1012 PolarHBondContact O-N 2.94Å
1001	I	97.7	Very high	96.1	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.1	169.3	-57	97.5	0	0	0	106.9	Q994 R999 F1009 I1010 W1011 L1038 V1044	Q994-I1001 PolarHBondContact N-O 3.14Å; Q994-I1001 PolarHBondContact O-N 2.91Å; Q994-I1001 PolarHBondContact OE1-O 3.03Å; R999-I1001 HydrophobicContact CG-CD1 4.31Å; I1001-F1009 HydrophobicContact CG2-CB 4.13Å; I1001-F1009 HydrophobicContact CG2-CD1 4.03Å; I1001-F1009 HydrophobicContact CG2-CG 4.42Å; I1001-I1010 WeakPolarHBondContact CA-O 3.49Å; I1001-W1011 HydrophobicContact CG1-CG 4.24Å; I1001-L1038 HydrophobicContact CD1-CD2 3.47Å; I1001-L1038 VanDerWaalsContact CD1-CD2 3.47Å; I1001-L1038 HydrophobicContact CD1-CG 4.37Å; I1001-V1044 HydrophobicContact CG2-CG1 4.42Å; I1001-V1044 HydrophobicContact CG2-CG2 4.44Å
1002	V	98.3	Very high	96.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.9	-178.7	-178.7	0	0	0	0	108.6	L967 I986 I990 V1000 F1009 I1010 V1012	L967-V1002 HydrophobicContact CD1-CG2 4.35Å; L967-V1002 HydrophobicContact CD2-CG2 3.83Å; I986-V1002 HydrophobicContact CD1-CB 4.39Å; I986-V1002 HydrophobicContact CD1-CG1 3.86Å; I986-V1002 HydrophobicContact CD1-CG2 4.19Å; I990-V1002 HydrophobicContact CB-CG1 4.33Å; I990-V1002 HydrophobicContact CD1-CG1 4.43Å; I990-V1002 HydrophobicContact CG1-CG1 3.9Å; I990-V1002 HydrophobicContact CG2-CG1 3.72Å; V1000-V1002 HydrophobicContact CG1-CG2 4.08Å; V1002-F1009 WeakPolarHBondContact O-CA 3.34Å; V1002-I1010 HydrophobicContact CB-CB 4.39Å; V1002-I1010 PolarHBondContact N-O 3.38Å; V1002-I1010 PolarHBondContact O-N 2.83Å; V1002-V1012 HydrophobicContact CG2-CG2 4.14Å
1003	S	98.2	Very high	95.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	113.2	167.4	-54.9	0	0	0	0	108.7	I990 S991 G992	I990-S1003 CarbonylContact C-O 3.44Å; S991-S1003 PolarHBondContact N-O 2.83Å; S991-S1003 WeakPolarHBondContact OG-CB 3.41Å; S991-S1003 PolarHBondContact OG-O 2.8Å; G992-S1003 PolarHBondContact N-O 2.87Å; G992-S1003 PolarHBondContact O-N 2.66Å
1004	D	97.3	Very high	95.6	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	-85.4	141.3	166.4	-174.2	-77	0	0	0	109.2	N988 Q1006 E1007 S1008 I1010	N988-D1004 WeakPolarHBondContact CA-OD2 3.5Å; N988-D1004 WeakPolarHBondContact CB-OD1 3.29Å; N988-D1004 WeakPolarHBondContact CB-OD2 3.46Å; N988-D1004 PolarHBondContact N-OD2 2.92Å; N988-D1004 PolarHBondContact ND2-OD1 2.86Å; N988-D1004 VanDerWaalsContact ND2-OD1 3.11Å; D1004-Q1006 PolarHBondContact O-N 2.94Å; D1004-Q1006 VanDerWaalsContact O-N 3.14Å; D1004-Q1006 PolarHBondContact OD1-N 3.06Å; D1004-E1007 HydrophobicContact CB-CB 4.09Å; D1004-E1007 PolarHBondContact OD1-N 2.85Å; D1004-S1008 PolarHBondContact N-O 2.85Å; D1004-I1010 HydrophobicContact CB-CD1 4.29Å
1005	V	95.8	Very high	95.3	Very high	37 Å²	37	26.3 Å²	26.3	22%	0.224	14%	0.14	C	C	.	.	S	Bend	trans	-62.2	-19.6	-177.9	69.4	0	0	0	0	113.7	N988 Y989 W1032	N988-V1005 HydrophobicContact CB-CG1 3.91Å; Y989-V1005 WeakPolarHBondContact O-CB 3.3Å; Y989-V1005 PolarHBondContact O-N 2.79Å; V1005-W1032 WeakPolarHBondContact O-CA 3.44Å
1006	Q	95.4	Very high	94.8	Very high	72 Å²	72	31.3 Å²	31.3	34%	0.336	15%	0.154	S	C	.	.	S	Bend	trans	-132	-31.2	-175.9	-80.7	173.1	62.6	0	0	113.3	D1004 P1030 R1031 W1032	D1004-Q1006 PolarHBondContact O-N 2.94Å; D1004-Q1006 VanDerWaalsContact O-N 3.14Å; D1004-Q1006 PolarHBondContact OD1-N 3.06Å; Q1006-P1030 CarbonylContact O-C 3.59Å; Q1006-P1030 WeakPolarHBondContact O-CA 3.49Å; Q1006-P1030 WeakPolarHBondContact O-CB 2.92Å; Q1006-R1031 CarbonylContact C-O 3.51Å; Q1006-R1031 CarbonylContact O-C 3.54Å; Q1006-R1031 PolarHBondContact O-N 2.93Å; Q1006-R1031 VanDerWaalsContact O-O 3.08Å; Q1006-W1032 HydrophobicContact CG-CD2 3.92Å; Q1006-W1032 HydrophobicContact CG-CE3 3.84Å; Q1006-W1032 HydrophobicContact CG-CH2 3.6Å; Q1006-W1032 HydrophobicContact CG-CZ2 3.66Å; Q1006-W1032 HydrophobicContact CG-CZ3 3.69Å
1007	E	94.4	Very high	94.6	Very high	93 Å²	93	36.5 Å²	36.5	44%	0.435	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-105.3	31	-172.8	-63.7	-66.1	167.7	0	0	113.1	A987 N988 D1004 F1009	A987-E1007 HydrophobicContact CB-CG 4.48Å; N988-E1007 WeakPolarHBondContact ND2-CG 3.39Å; D1004-E1007 HydrophobicContact CB-CB 4.09Å; D1004-E1007 PolarHBondContact OD1-N 2.85Å; E1007-F1009 PolarHBondContact O-N 2.95Å
1008	S	96.2	Very high	94.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.183	C	C	.	.			trans	59.1	-127.2	173.1	-168.5	0	0	0	0	114.4	D1004 D1027 Y1029 R1031	D1004-S1008 PolarHBondContact N-O 2.85Å; S1008-D1027 PolarHBondContact OG-OD2 3.33Å; S1008-D1027 VanDerWaalsContact OG-OD2 3.11Å; S1008-Y1029 WeakPolarHBondContact CB-O 3.45Å; S1008-R1031 PolarHBondContact N-O 3.38Å
1009	F	97.4	Very high	94.4	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.1	-171.7	-62.1	-64.8	0	0	0	112.1	I1001 V1002 E1007 W1011 D1026 D1027 V1033 A1036 V1044 V1056	I1001-F1009 HydrophobicContact CG2-CB 4.13Å; I1001-F1009 HydrophobicContact CG2-CD1 4.03Å; I1001-F1009 HydrophobicContact CG2-CG 4.42Å; V1002-F1009 WeakPolarHBondContact O-CA 3.34Å; E1007-F1009 PolarHBondContact O-N 2.95Å; F1009-W1011 HydrophobicContact CB-CE3 4.33Å; F1009-W1011 HydrophobicContact CB-CH2 3.71Å; F1009-W1011 HydrophobicContact CB-CZ3 3.56Å; F1009-W1011 WeakPolarHBondContact O-CZ3 3.42Å; F1009-D1026 WeakPolarHBondContact O-CA 3.48Å; F1009-D1027 PolarHBondContact O-N 3.02Å; F1009-V1033 HydrophobicContact CE1-CG1 3.95Å; F1009-V1033 HydrophobicContact CE1-CG2 4.34Å; F1009-V1033 HydrophobicContact CZ-CG1 3.89Å; F1009-V1033 HydrophobicContact CZ-CG2 4.12Å; F1009-A1036 HydrophobicContact CE1-CB 3.42Å; F1009-A1036 VanDerWaalsContact CE1-CB 3.42Å; F1009-A1036 HydrophobicContact CZ-CB 3.72Å; F1009-V1044 HydrophobicContact CB-CG1 4.24Å; F1009-V1044 HydrophobicContact CD1-CG1 4.15Å; F1009-V1044 HydrophobicContact CD1-CG2 4.3Å; F1009-V1044 HydrophobicContact CD2-CG1 3.75Å; F1009-V1044 HydrophobicContact CE1-CG2 4.19Å; F1009-V1044 HydrophobicContact CE2-CG1 4.21Å; F1009-V1044 HydrophobicContact CG-CG1 3.75Å; F1009-V1044 HydrophobicContact CZ-CG2 4.5Å; F1009-V1056 HydrophobicContact CD2-CG2 4.17Å
1010	I	96.3	Very high	94.3	Very high	13 Å²	13	40.5 Å²	40.5	7%	0.067	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.6	177.9	-56.4	169.7	0	0	0	108.7	I986 I1001 V1002 D1004 V1012 I1023 D1026	I986-I1010 HydrophobicContact CB-CD1 4.49Å; I986-I1010 HydrophobicContact CG1-CD1 4.2Å; I986-I1010 HydrophobicContact CG2-CD1 4.02Å; I1001-I1010 WeakPolarHBondContact CA-O 3.49Å; V1002-I1010 HydrophobicContact CB-CB 4.39Å; V1002-I1010 PolarHBondContact N-O 3.38Å; V1002-I1010 PolarHBondContact O-N 2.83Å; D1004-I1010 HydrophobicContact CB-CD1 4.29Å; I1010-V1012 HydrophobicContact CG2-CG2 4.25Å; I1010-I1023 HydrophobicContact CG2-CB 4.29Å; I1010-I1023 HydrophobicContact CG2-CD1 4.08Å; I1010-I1023 HydrophobicContact CG2-CG1 3.86Å; I1010-I1023 HydrophobicContact CG2-CG2 3.53Å; I1010-D1026 HydrophobicContact CG1-CB 4.43Å
1011	W	96.4	Very high	94.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	124.8	177.1	-76	-103.7	0	0	0	110.9	I1001 F1009 F1024 A1025 V1044 V1056 L1058 A1089	I1001-W1011 HydrophobicContact CG1-CG 4.24Å; F1009-W1011 HydrophobicContact CB-CE3 4.33Å; F1009-W1011 HydrophobicContact CB-CH2 3.71Å; F1009-W1011 HydrophobicContact CB-CZ3 3.56Å; F1009-W1011 WeakPolarHBondContact O-CZ3 3.42Å; W1011-F1024 HydrophobicContact CB-CD1 4.36Å; W1011-F1024 HydrophobicContact CB-CE1 3.72Å; W1011-F1024 HydrophobicContact CB-CE2 4.14Å; W1011-F1024 HydrophobicContact CB-CZ 3.6Å; W1011-F1024 HydrophobicContact CG-CZ 4.29Å; W1011-F1024 WeakPolarHBondContact O-CD1 3.4Å; W1011-F1024 PolarHBondContact O-N 3.32Å; W1011-A1025 HydrophobicContact CB-CB 4.13Å; W1011-A1025 PolarHBondContact N-O 3.2Å; W1011-V1044 HydrophobicContact CH2-CG1 3.85Å; W1011-V1044 HydrophobicContact CZ2-CG1 3.67Å; W1011-V1056 HydrophobicContact CH2-CB 4.08Å; W1011-V1056 HydrophobicContact CH2-CG1 3.61Å; W1011-V1056 HydrophobicContact CZ2-CG1 4.48Å; W1011-V1056 HydrophobicContact CZ3-CG1 4.34Å; W1011-L1058 VanDerWaalsContact CD1-CD1 3.43Å; W1011-L1058 HydrophobicContact CD2-CD1 4.45Å; W1011-L1058 HydrophobicContact CD2-CD2 3.81Å; W1011-L1058 HydrophobicContact CD2-CG 4.18Å; W1011-L1058 HydrophobicContact CE3-CD2 4.24Å; W1011-L1058 HydrophobicContact CG-CD1 3.95Å; W1011-L1058 HydrophobicContact CG-CD2 3.99Å; W1011-L1058 HydrophobicContact CG-CG 4.19Å; W1011-L1058 HydrophobicContact CZ2-CD2 4.49Å; W1011-L1058 HydrophobicContact CZ2-CG 4.43Å; W1011-A1089 HydrophobicContact CE3-CB 4.35Å; W1011-A1089 HydrophobicContact CH2-CB 3.67Å; W1011-A1089 HydrophobicContact CZ2-CB 4.35Å; W1011-A1089 HydrophobicContact CZ3-CB 3.65Å
1012	V	95.7	Very high	93.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.1	-177	180	0	0	0	0	109.8	L967 V1000 V1002 I1010 L1021 I1022 I1023	L967-V1012 HydrophobicContact CD2-CG1 4.26Å; L967-V1012 HydrophobicContact CD2-CG2 4.33Å; V1000-V1012 HydrophobicContact CB-CB 4.12Å; V1000-V1012 PolarHBondContact N-O 2.85Å; V1000-V1012 PolarHBondContact O-N 2.94Å; V1002-V1012 HydrophobicContact CG2-CG2 4.14Å; I1010-V1012 HydrophobicContact CG2-CG2 4.25Å; V1012-L1021 HydrophobicContact CG1-CB 3.84Å; V1012-L1021 HydrophobicContact CG1-CD2 3.78Å; V1012-L1021 HydrophobicContact CG1-CG 4.41Å; V1012-I1022 CarbonylContact C-O 3.54Å; V1012-I1022 VanDerWaalsContact CA-O 3.26Å; V1012-I1022 WeakPolarHBondContact CA-O 3.4Å; V1012-I1023 HydrophobicContact CG2-CG1 3.88Å
1013	R	93.7	Very high	93.5	Very high	54 Å²	54	42 Å²	42	20%	0.204	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.6	171.9	-179.5	66.6	-173.7	-156.8	4.7	109.5	I1022 F1024 Y1041 D1064	R1013-I1022 PolarHBondContact N-O 2.9Å; R1013-I1022 PolarHBondContact O-N 3.28Å; R1013-F1024 HydrophobicContact CB-CD1 3.9Å; R1013-F1024 HydrophobicContact CB-CE1 4.11Å; R1013-Y1041 PolarHBondContact NH1-OH 2.85Å; R1013-D1064 IonicContact CZ-OD2 3.69Å; R1013-D1064 IonicContact NE-OD2 3.23Å; R1013-D1064 IonicContact NH1-OD2 2.72Å; R1013-D1064 PolarHBondContact NH1-OD2 3.35Å
1014	Y	93.3	Very high	93.3	Very high	5 Å²	5	42 Å²	42	2%	0.02	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	111.5	170.4	178.4	-122.1	0	0	0	111.2	F955 R958 V969 H998 R1016 N1019 Q1020 L1021	F955-Y1014 AromaticContact CE1-CD1 3.41Å; F955-Y1014 HydrophobicContact CE1-CD1 3.41Å; F955-Y1014 VanDerWaalsContact CE1-CD1 3.41Å; F955-Y1014 HydrophobicContact CE1-CD2 4.38Å; F955-Y1014 AromaticContact CE1-CE1 3.95Å; F955-Y1014 HydrophobicContact CE1-CE1 3.95Å; F955-Y1014 AromaticContact CE1-CG 3.65Å; F955-Y1014 HydrophobicContact CE1-CG 3.65Å; F955-Y1014 AromaticContact CZ-CD1 3.65Å; F955-Y1014 HydrophobicContact CZ-CD1 3.65Å; F955-Y1014 AromaticContact CZ-CG 3.85Å; F955-Y1014 HydrophobicContact CZ-CG 3.85Å; R958-Y1014 PolarHBondContact NH1-OH 2.94Å; V969-Y1014 HydrophobicContact CG2-CE2 4.31Å; H998-Y1014 PolarHBondContact O-N 2.89Å; Y1014-R1016 HydrophobicContact CD1-CB 4.36Å; Y1014-R1016 HydrophobicContact CE1-CB 3.85Å; Y1014-R1016 HydrophobicContact CE1-CG 4.08Å; Y1014-R1016 PolarHBondContact O-N 3.47Å; Y1014-N1019 PolarHBondContact OH-OD1 3.22Å; Y1014-N1019 VanDerWaalsContact OH-OD1 3.09Å; Y1014-Q1020 WeakPolarHBondContact CD2-O 3.34Å; Y1014-L1021 HydrophobicContact CD2-CD2 3.93Å; Y1014-L1021 HydrophobicContact CD2-CG 4.27Å; Y1014-L1021 HydrophobicContact CG-CD2 4.36Å
1015	K	91.1	Very high	93.1	Very high	38 Å²	38	42 Å²	42	17%	0.165	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	97.8	171.9	-72	-170.5	178	177.5	0	109.6	N1017 E1018 N1019 Q1020 I1022 D1067	K1015-N1017 VanDerWaalsContact C-N 3.34Å; K1015-N1017 PolarHBondContact O-N 2.85Å; K1015-E1018 HydrophobicContact CB-CB 4.32Å; K1015-E1018 WeakPolarHBondContact CD-OE2 3.36Å; K1015-E1018 IonicContact NZ-OE2 3.66Å; K1015-E1018 PolarHBondContact O-N 3.49Å; K1015-N1019 WeakPolarHBondContact O-CA 3.38Å; K1015-N1019 PolarHBondContact O-N 2.69Å; K1015-Q1020 PolarHBondContact N-O 3.08Å; K1015-Q1020 PolarHBondContact O-N 3.21Å; K1015-I1022 HydrophobicContact CD-CD1 3.63Å; K1015-I1022 HydrophobicContact CG-CD1 4.2Å; K1015-D1067 IonicContact NZ-OD1 3.14Å; K1015-D1067 PolarHBondContact NZ-OD1 3.37Å
1016	R	86.4	Confident	93	Very high	149 Å²	149	41.2 Å²	41.2	56%	0.562	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-35.2	-173.3	-174.7	171.6	179.5	168.2	0.1	114.4	Y1014 N1019	Y1014-R1016 HydrophobicContact CD1-CB 4.36Å; Y1014-R1016 HydrophobicContact CE1-CB 3.85Å; Y1014-R1016 HydrophobicContact CE1-CG 4.08Å; Y1014-R1016 PolarHBondContact O-N 3.47Å; R1016-N1019 PolarHBondContact O-N 2.55Å
1017	N	89.3	Confident	93	Very high	167 Å²	167	38.3 Å²	38.3	89%	0.893	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-37.8	-177.7	-65.1	-16.4	0	0	0	112.3	K1015	K1015-N1017 VanDerWaalsContact C-N 3.34Å; K1015-N1017 PolarHBondContact O-N 2.85Å
1018	E	88.5	Confident	92.7	Very high	114 Å²	114	36.4 Å²	36.4	53%	0.533	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-13.6	176.4	-69	157.9	-147.5	0	0	111.8	K1015 Q1020	K1015-E1018 HydrophobicContact CB-CB 4.32Å; K1015-E1018 WeakPolarHBondContact CD-OE2 3.36Å; K1015-E1018 IonicContact NZ-OE2 3.66Å; K1015-E1018 PolarHBondContact O-N 3.49Å; E1018-Q1020 VanDerWaalsContact C-N 3.26Å; E1018-Q1020 HydrophobicContact CB-CB 4.22Å; E1018-Q1020 PolarHBondContact O-N 2.92Å
1019	N	89.8	Confident	92.5	Very high	51 Å²	51	42 Å²	42	27%	0.273	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	48.9	-174.2	-170.8	42.3	0	0	0	110.7	K980 C981 Y1014 K1015 R1016	K980-N1019 PolarHBondContact O-ND2 3.11Å; C981-N1019 WeakPolarHBondContact CB-O 3.45Å; C981-N1019 PolarHBondContact SG-O 3.04Å; Y1014-N1019 PolarHBondContact OH-OD1 3.22Å; Y1014-N1019 VanDerWaalsContact OH-OD1 3.09Å; K1015-N1019 WeakPolarHBondContact O-CA 3.38Å; K1015-N1019 PolarHBondContact O-N 2.69Å; R1016-N1019 PolarHBondContact O-N 2.55Å
1020	Q	91.4	Very high	92.3	Very high	54 Å²	54	45.7 Å²	45.7	25%	0.252	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	144	-177.2	-168.3	177	6.7	0	0	110.9	Y1014 K1015 E1018 I1022 E1068	Y1014-Q1020 WeakPolarHBondContact CD2-O 3.34Å; K1015-Q1020 PolarHBondContact N-O 3.08Å; K1015-Q1020 PolarHBondContact O-N 3.21Å; E1018-Q1020 VanDerWaalsContact C-N 3.26Å; E1018-Q1020 HydrophobicContact CB-CB 4.22Å; E1018-Q1020 PolarHBondContact O-N 2.92Å; Q1020-I1022 HydrophobicContact CB-CG1 4.46Å; Q1020-I1022 HydrophobicContact CG-CD1 4.3Å; Q1020-I1022 HydrophobicContact CG-CG1 3.77Å; Q1020-E1068 PolarHBondContact NE2-OE2 3.08Å
1021	L	93.6	Very high	92.2	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	112.1	173.4	-76.2	167.5	0	0	0	108.1	L960 L967 V969 N983 V1012 Y1014	L960-L1021 HydrophobicContact CD2-CD1 4.14Å; L960-L1021 HydrophobicContact CD2-CD2 4.35Å; L967-L1021 HydrophobicContact CD2-CD1 3.87Å; L967-L1021 HydrophobicContact CD2-CD2 4.35Å; L967-L1021 HydrophobicContact CG-CD1 3.89Å; V969-L1021 HydrophobicContact CG2-CD1 4.05Å; V969-L1021 HydrophobicContact CG2-CG 4.42Å; N983-L1021 HydrophobicContact CB-CB 3.9Å; N983-L1021 HydrophobicContact CB-CD1 4.44Å; N983-L1021 PolarHBondContact ND2-O 3.47Å; V1012-L1021 HydrophobicContact CG1-CB 3.84Å; V1012-L1021 HydrophobicContact CG1-CD2 3.78Å; V1012-L1021 HydrophobicContact CG1-CG 4.41Å; Y1014-L1021 HydrophobicContact CD2-CD2 3.93Å; Y1014-L1021 HydrophobicContact CD2-CG 4.27Å; Y1014-L1021 HydrophobicContact CG-CD2 4.36Å
1022	I	91.7	Very high	92.3	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.1	-172.7	-60	177.4	0	0	0	109.7	V1012 R1013 K1015 Q1020 V1066 E1068	V1012-I1022 CarbonylContact C-O 3.54Å; V1012-I1022 VanDerWaalsContact CA-O 3.26Å; V1012-I1022 WeakPolarHBondContact CA-O 3.4Å; R1013-I1022 PolarHBondContact N-O 2.9Å; R1013-I1022 PolarHBondContact O-N 3.28Å; K1015-I1022 HydrophobicContact CD-CD1 3.63Å; K1015-I1022 HydrophobicContact CG-CD1 4.2Å; Q1020-I1022 HydrophobicContact CB-CG1 4.46Å; Q1020-I1022 HydrophobicContact CG-CD1 4.3Å; Q1020-I1022 HydrophobicContact CG-CG1 3.77Å; I1022-V1066 WeakPolarHBondContact CD1-O 3.31Å; I1022-V1066 HydrophobicContact CG2-CB 4.38Å; I1022-E1068 HydrophobicContact CG2-CG 4.2Å
1023	I	92.4	Very high	92.4	Very high	30 Å²	30	50.6 Å²	50.6	15%	0.154	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	124.1	171	-63.2	168.8	0	0	0	107.9	H985 I986 I1010 V1012 A1085	H985-I1023 HydrophobicContact CB-CD1 3.78Å; I986-I1023 HydrophobicContact CG1-CD1 4.18Å; I1010-I1023 HydrophobicContact CG2-CB 4.29Å; I1010-I1023 HydrophobicContact CG2-CD1 4.08Å; I1010-I1023 HydrophobicContact CG2-CG1 3.86Å; I1010-I1023 HydrophobicContact CG2-CG2 3.53Å; V1012-I1023 HydrophobicContact CG2-CG1 3.88Å; I1023-A1085 HydrophobicContact CG2-CB 3.86Å
1024	F	92.5	Very high	92.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	-19.4	-179.5	71.7	-89.4	0	0	0	113.8	W1011 R1013 L1058 T1062 D1064 V1066 Q1087	W1011-F1024 HydrophobicContact CB-CD1 4.36Å; W1011-F1024 HydrophobicContact CB-CE1 3.72Å; W1011-F1024 HydrophobicContact CB-CE2 4.14Å; W1011-F1024 HydrophobicContact CB-CZ 3.6Å; W1011-F1024 HydrophobicContact CG-CZ 4.29Å; W1011-F1024 WeakPolarHBondContact O-CD1 3.4Å; W1011-F1024 PolarHBondContact O-N 3.32Å; R1013-F1024 HydrophobicContact CB-CD1 3.9Å; R1013-F1024 HydrophobicContact CB-CE1 4.11Å; F1024-L1058 HydrophobicContact CE2-CD1 3.78Å; F1024-L1058 HydrophobicContact CZ-CD1 3.92Å; F1024-T1062 HydrophobicContact CD2-CG2 3.98Å; F1024-T1062 HydrophobicContact CE2-CG2 3.71Å; F1024-D1064 HydrophobicContact CD1-CB 4.2Å; F1024-D1064 HydrophobicContact CD2-CB 4.02Å; F1024-D1064 HydrophobicContact CE1-CB 4.04Å; F1024-D1064 HydrophobicContact CE2-CB 3.86Å; F1024-D1064 HydrophobicContact CG-CB 4.19Å; F1024-D1064 HydrophobicContact CZ-CB 3.86Å; F1024-V1066 HydrophobicContact CB-CB 4.15Å; F1024-V1066 HydrophobicContact CB-CG2 3.68Å; F1024-Q1087 PolarHBondContact O-N 2.85Å; F1024-Q1087 PolarHBondContact O-NE2 3.38Å
1025	A	93.7	Very high	92.8	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	159	174.9	0	0	0	0	0	112.6	W1011 L1058 Q1087	W1011-A1025 HydrophobicContact CB-CB 4.13Å; W1011-A1025 PolarHBondContact N-O 3.2Å; A1025-L1058 HydrophobicContact CB-CD2 3.53Å; A1025-Q1087 WeakPolarHBondContact CA-O 3.42Å; A1025-Q1087 HydrophobicContact CB-CB 4.13Å; A1025-Q1087 WeakPolarHBondContact CB-O 3.48Å
1026	D	94.4	Very high	93.1	Very high	22 Å²	22	49.9 Å²	49.9	12%	0.118	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	167.1	177.8	57.3	-1.5	0	0	0	111.6	F1009 I1010 G1084 A1085 Q1087 K1088 A1089	F1009-D1026 WeakPolarHBondContact O-CA 3.48Å; I1010-D1026 HydrophobicContact CG1-CB 4.43Å; D1026-G1084 VanDerWaalsContact OD2-CA 3.31Å; D1026-G1084 WeakPolarHBondContact OD2-CA 3.3Å; D1026-A1085 HydrophobicContact CB-CB 4.14Å; D1026-A1085 PolarHBondContact OD2-N 2.83Å; D1026-Q1087 PolarHBondContact N-O 2.85Å; D1026-K1088 WeakPolarHBondContact O-CA 3.44Å; D1026-K1088 WeakPolarHBondContact OD1-CD 3.35Å; D1026-K1088 VanDerWaalsContact OD1-CE 3.29Å; D1026-K1088 WeakPolarHBondContact OD1-CE 3.29Å; D1026-K1088 IonicContact OD1-NZ 2.69Å; D1026-K1088 PolarHBondContact OD1-NZ 2.79Å; D1026-K1088 IonicContact OD2-NZ 2.76Å; D1026-K1088 PolarHBondContact OD2-NZ 2.67Å; D1026-A1089 PolarHBondContact O-N 2.8Å
1027	D	94.2	Very high	93.6	Very high	11 Å²	11	43.5 Å²	43.5	6%	0.059	22%	0.223	C	C	.	.			trans	-70.5	159	171.7	-165.1	7.8	0	0	0	111	S1008 F1009 R1031 V1056	S1008-D1027 PolarHBondContact OG-OD2 3.33Å; S1008-D1027 VanDerWaalsContact OG-OD2 3.11Å; F1009-D1027 PolarHBondContact O-N 3.02Å; D1027-R1031 IonicContact OD2-NE 3.95Å; D1027-R1031 PolarHBondContact OD2-NE 2.91Å; D1027-V1056 HydrophobicContact CB-CG1 4.45Å
1028	T	89	Confident	94	Very high	52 Å²	52	37.5 Å²	37.5	32%	0.319	19%	0.191	S	C	.	.	S	Bend	trans	-88.6	-16.5	176.8	50.8	0	0	0	0	113.6	K1088	T1028-K1088 HydrophobicContact CG2-CB 3.71Å; T1028-K1088 HydrophobicContact CG2-CD 4.21Å; T1028-K1088 HydrophobicContact CG2-CG 3.91Å
1029	Y	91	Very high	94.3	Very high	119 Å²	119	33.5 Å²	33.5	47%	0.467	17%	0.172	S	C	.	.	S	Bend	trans	-117.3	134.7	-178.1	-63	-83.2	0	0	0	111.2	S1008 V1091 F1168	S1008-Y1029 WeakPolarHBondContact CB-O 3.45Å; Y1029-V1091 HydrophobicContact CD2-CG2 3.79Å; Y1029-V1091 HydrophobicContact CE2-CG2 4.05Å; Y1029-F1168 HydrophobicContact CD1-CE1 4.19Å; Y1029-F1168 HydrophobicContact CG-CE1 4.36Å
1030	P	93.4	Very high	94.6	Very high	77 Å²	77	33.7 Å²	33.7	50%	0.5	17%	0.174	S	C	.	.			trans	-68.8	136	169.6	29	-33.4	0	0	0	109.8	Q1006	Q1006-P1030 CarbonylContact O-C 3.59Å; Q1006-P1030 WeakPolarHBondContact O-CA 3.49Å; Q1006-P1030 WeakPolarHBondContact O-CB 2.92Å
1031	R	95.8	Very high	94.8	Very high	6 Å²	6	34.7 Å²	34.7	2%	0.023	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-141.4	136.5	-180	-58.7	-177.4	-176.2	-75.9	-6.3	109.8	Q1006 S1008 D1027 V1033 F1168	Q1006-R1031 CarbonylContact C-O 3.51Å; Q1006-R1031 CarbonylContact O-C 3.54Å; Q1006-R1031 PolarHBondContact O-N 2.93Å; Q1006-R1031 VanDerWaalsContact O-O 3.08Å; S1008-R1031 PolarHBondContact N-O 3.38Å; D1027-R1031 IonicContact OD2-NE 3.95Å; D1027-R1031 PolarHBondContact OD2-NE 2.91Å; R1031-V1033 VanDerWaalsContact C-N 3.29Å; R1031-V1033 HydrophobicContact CB-CG2 4.26Å; R1031-V1033 PolarHBondContact O-N 3.16Å; R1031-F1168 HydrophobicContact CG-CZ 4.36Å; R1031-F1168 VanDerWaalsContact NH1-CZ 3.28Å
1032	W	96.8	Very high	94.9	Very high	103 Å²	103	36.7 Å²	36.7	39%	0.39	19%	0.186	S	C	.	.			trans	-82.1	73.2	177.9	-72	74.2	0	0	0	111.2	V1005 Q1006 T1034 D1048 K1049 F1050	V1005-W1032 WeakPolarHBondContact O-CA 3.44Å; Q1006-W1032 HydrophobicContact CG-CD2 3.92Å; Q1006-W1032 HydrophobicContact CG-CE3 3.84Å; Q1006-W1032 HydrophobicContact CG-CH2 3.6Å; Q1006-W1032 HydrophobicContact CG-CZ2 3.66Å; Q1006-W1032 HydrophobicContact CG-CZ3 3.69Å; W1032-T1034 PolarHBondContact O-N 3.4Å; W1032-D1048 CarbonylContact O-C 3.56Å; W1032-D1048 WeakPolarHBondContact O-CA 3.38Å; W1032-D1048 WeakPolarHBondContact O-CB 3.19Å; W1032-K1049 HydrophobicContact CB-CB 3.88Å; W1032-K1049 PolarHBondContact O-N 2.91Å; W1032-F1050 HydrophobicContact CB-CE2 4.37Å; W1032-F1050 AromaticContact CD1-CE2 3.51Å; W1032-F1050 AromaticContact CG-CE2 4Å; W1032-F1050 HydrophobicContact CG-CE2 4Å
1033	V	97.9	Very high	95.1	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.048	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	123.2	-165.6	-174.6	0	0	0	0	111.9	S991 F1009 R1031 A1047	S991-V1033 PolarHBondContact OG-O 3.08Å; F1009-V1033 HydrophobicContact CE1-CG1 3.95Å; F1009-V1033 HydrophobicContact CE1-CG2 4.34Å; F1009-V1033 HydrophobicContact CZ-CG1 3.89Å; F1009-V1033 HydrophobicContact CZ-CG2 4.12Å; R1031-V1033 VanDerWaalsContact C-N 3.29Å; R1031-V1033 HydrophobicContact CB-CG2 4.26Å; R1031-V1033 PolarHBondContact O-N 3.16Å; V1033-A1047 WeakPolarHBondContact CA-O 3.46Å
1034	T	97.6	Very high	95.4	Very high	45 Å²	45	35.4 Å²	35.4	28%	0.276	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-38.2	174.7	49.5	0	0	0	0	112.2	W1032 A1047 K1049 T1100 V1101 L1102	W1032-T1034 PolarHBondContact O-N 3.4Å; T1034-A1047 PolarHBondContact N-O 2.96Å; T1034-A1047 PolarHBondContact OG1-O 2.66Å; T1034-K1049 HydrophobicContact CG2-CB 4.2Å; T1034-T1100 HydrophobicContact CG2-CG2 4.06Å; T1034-V1101 VanDerWaalsContact CB-O 3.3Å; T1034-V1101 WeakPolarHBondContact CB-O 3.48Å; T1034-V1101 PolarHBondContact OG1-O 2.75Å; T1034-L1102 HydrophobicContact CG2-CD2 4.3Å
1035	T	97.8	Very high	95.7	Very high	23 Å²	23	35.4 Å²	35.4	14%	0.141	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	158.4	-177.4	-166.6	0	0	0	0	111.3	G1046 A1047 V1101 L1102 L1104	T1035-G1046 WeakPolarHBondContact O-CA 3.39Å; T1035-A1047 HydrophobicContact CG2-CB 4.04Å; T1035-A1047 PolarHBondContact O-N 3.35Å; T1035-V1101 HydrophobicContact CG2-CG1 4.08Å; T1035-L1102 WeakPolarHBondContact CB-O 3.33Å; T1035-L1102 PolarHBondContact OG1-O 2.78Å; T1035-L1104 HydrophobicContact CG2-CB 3.77Å
1036	A	97.9	Very high	95.9	Very high	14 Å²	14	35.4 Å²	35.4	12%	0.116	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	150.6	177.8	0	0	0	0	0	113.5	Q994 F1009 V1044 A1045	Q994-A1036 PolarHBondContact NE2-O 3.42Å; F1009-A1036 HydrophobicContact CE1-CB 3.42Å; F1009-A1036 VanDerWaalsContact CE1-CB 3.42Å; F1009-A1036 HydrophobicContact CZ-CB 3.72Å; A1036-V1044 HydrophobicContact CB-CG2 4.08Å; A1036-A1045 CarbonylContact C-O 3.59Å; A1036-A1045 VanDerWaalsContact CA-O 3.22Å; A1036-A1045 WeakPolarHBondContact CA-O 3.4Å; A1036-A1045 WeakPolarHBondContact CB-O 3.16Å
1037	S	97.4	Very high	96.1	Very high	15 Å²	15	34.5 Å²	34.5	11%	0.105	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.6	-176.2	-147.4	0	0	0	0	110.2	A1045 L1104 K1106	S1037-A1045 PolarHBondContact N-O 3.43Å; S1037-A1045 PolarHBondContact O-N 3.24Å; S1037-L1104 VanDerWaalsContact CB-O 3.29Å; S1037-L1104 WeakPolarHBondContact CB-O 3.32Å; S1037-L1104 PolarHBondContact OG-O 3.18Å; S1037-L1104 VanDerWaalsContact OG-O 3.08Å; S1037-K1106 PolarHBondContact OG-N 2.73Å
1038	L	96.9	Very high	96.2	Very high	41 Å²	41	34.2 Å²	34.2	22%	0.215	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	127.9	171.9	-92.1	170.6	0	0	0	110	Q994 T995 I996 I1001 D1040	Q994-L1038 HydrophobicContact CB-CD1 3.65Å; Q994-L1038 HydrophobicContact CB-CG 3.69Å; Q994-L1038 HydrophobicContact CG-CG 4.28Å; T995-L1038 WeakPolarHBondContact O-CD1 3.2Å; I996-L1038 HydrophobicContact CB-CD1 4.06Å; I996-L1038 HydrophobicContact CG2-CD1 4.22Å; I996-L1038 HydrophobicContact CG2-CD2 4.18Å; I1001-L1038 HydrophobicContact CD1-CD2 3.47Å; I1001-L1038 VanDerWaalsContact CD1-CD2 3.47Å; I1001-L1038 HydrophobicContact CD1-CG 4.37Å; L1038-D1040 WeakPolarHBondContact CD2-O 3.29Å
1039	L	96.4	Very high	96.6	Very high	29 Å²	29	37.6 Å²	37.6	15%	0.152	18%	0.184	C	C	.	.			trans	-97.6	-42.5	173.3	-59.1	-170	0	0	0	111.7	M1 T1043 A1045 V1055 K1106 L1117	M1-L1039 HydrophobicContact CE-CD1 4.14Å; L1039-T1043 HydrophobicContact CB-CG2 4.13Å; L1039-T1043 HydrophobicContact CD1-CG2 3.92Å; L1039-T1043 HydrophobicContact CG-CG2 4.39Å; L1039-T1043 PolarHBondContact N-O 2.8Å; L1039-A1045 HydrophobicContact CD1-CB 4.07Å; L1039-A1045 HydrophobicContact CD2-CB 4.08Å; L1039-A1045 HydrophobicContact CG-CB 4.04Å; L1039-V1055 HydrophobicContact CD1-CG1 3.71Å; L1039-V1055 HydrophobicContact CD1-CG2 4.13Å; L1039-K1106 HydrophobicContact CD2-CB 4.16Å; L1039-K1106 HydrophobicContact CD2-CD 4.19Å; L1039-K1106 HydrophobicContact CD2-CG 4.36Å; L1039-L1117 HydrophobicContact CD2-CD1 4.08Å
1040	D	95.4	Very high	96.8	Very high	56 Å²	56	35.8 Å²	35.8	30%	0.299	18%	0.179	S	C	.	.	S	Bend	trans	-156.1	-166.9	173.3	65.2	29.6	0	0	0	110.6	L1038 D1042 T1043 R1057	L1038-D1040 WeakPolarHBondContact CD2-O 3.29Å; D1040-D1042 VanDerWaalsContact C-N 3.26Å; D1040-D1042 PolarHBondContact O-N 3.28Å; D1040-D1042 PolarHBondContact OD1-N 3.35Å; D1040-T1043 PolarHBondContact N-O 3.43Å; D1040-T1043 WeakPolarHBondContact OD1-CA 3.33Å; D1040-T1043 WeakPolarHBondContact OD1-CB 3.39Å; D1040-T1043 PolarHBondContact OD1-N 2.84Å; D1040-T1043 PolarHBondContact OD1-OG1 2.87Å; D1040-T1043 PolarHBondContact OD2-OG1 2.81Å; D1040-R1057 IonicContact OD1-NH1 2.71Å; D1040-R1057 IonicContact OD2-CZ 2.74Å; D1040-R1057 IonicContact OD2-NH1 3.67Å; D1040-R1057 PolarHBondContact OD2-NH1 2.57Å; D1040-R1057 IonicContact OD2-NH2 2.98Å
1041	Y	95.3	Very high	97	Very high	75 Å²	75	32.1 Å²	32.1	29%	0.294	16%	0.155	S	C	.	.	S	Bend	trans	-64.1	-26.9	-178.4	-169.6	-107.7	0	0	0	114	I996 R999 R1013	I996-Y1041 HydrophobicContact CD1-CD2 4.48Å; I996-Y1041 HydrophobicContact CG1-CD2 4.18Å; I996-Y1041 HydrophobicContact CG2-CD2 3.78Å; I996-Y1041 HydrophobicContact CG2-CE2 4.32Å; R999-Y1041 HydrophobicContact CB-CE2 3.77Å; R999-Y1041 WeakPolarHBondContact CD-O 3.48Å; R999-Y1041 PolarHBondContact NH1-O 3.11Å; R999-Y1041 VanDerWaalsContact NH2-CE1 3.28Å; R1013-Y1041 PolarHBondContact NH1-OH 2.85Å
1042	D	95.6	Very high	97.1	Very high	43 Å²	43	31.9 Å²	31.9	23%	0.23	16%	0.155	C	C	.	.	S	Bend	trans	-111.4	-10.9	-173.9	-62.1	-43.4	0	0	0	113	R999 D1040 R1057 L1058	R999-D1042 IonicContact CZ-OD1 2.64Å; R999-D1042 IonicContact NH1-OD1 3.77Å; R999-D1042 PolarHBondContact NH1-OD1 2.98Å; D1040-D1042 VanDerWaalsContact C-N 3.26Å; D1040-D1042 PolarHBondContact O-N 3.28Å; D1040-D1042 PolarHBondContact OD1-N 3.35Å; D1042-R1057 HydrophobicContact CB-CG 4.37Å; D1042-R1057 CarbonylContact O-C 3.51Å; D1042-R1057 WeakPolarHBondContact O-CA 3.46Å; D1042-R1057 IonicContact OD2-NH2 3.9Å; D1042-L1058 HydrophobicContact CB-CB 4.18Å; D1042-L1058 PolarHBondContact O-N 2.82Å
1043	T	96.9	Very high	97.1	Very high	4 Å²	4	27 Å²	27	3%	0.025	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.7	-165.1	-45.7	0	0	0	0	111.8	L1039 D1040 V1055 V1056 R1057 I1092	L1039-T1043 HydrophobicContact CB-CG2 4.13Å; L1039-T1043 HydrophobicContact CD1-CG2 3.92Å; L1039-T1043 HydrophobicContact CG-CG2 4.39Å; L1039-T1043 PolarHBondContact N-O 2.8Å; D1040-T1043 PolarHBondContact N-O 3.43Å; D1040-T1043 WeakPolarHBondContact OD1-CA 3.33Å; D1040-T1043 WeakPolarHBondContact OD1-CB 3.39Å; D1040-T1043 PolarHBondContact OD1-N 2.84Å; D1040-T1043 PolarHBondContact OD1-OG1 2.87Å; D1040-T1043 PolarHBondContact OD2-OG1 2.81Å; T1043-V1055 HydrophobicContact CG2-CG1 3.27Å; T1043-V1056 WeakPolarHBondContact CA-O 3.42Å; T1043-R1057 HydrophobicContact CG2-CB 4.12Å; T1043-R1057 HydrophobicContact CG2-CG 4.48Å; T1043-R1057 WeakPolarHBondContact OG1-CD 3.12Å; T1043-R1057 WeakPolarHBondContact OG1-CG 3.43Å; T1043-R1057 PolarHBondContact OG1-NH1 3.13Å; T1043-I1092 HydrophobicContact CG2-CD1 4.28Å
1044	V	97.9	Very high	97.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.7	174.3	67.9	0	0	0	0	109.5	I1001 F1009 W1011 A1036 V1055 V1056	I1001-V1044 HydrophobicContact CG2-CG1 4.42Å; I1001-V1044 HydrophobicContact CG2-CG2 4.44Å; F1009-V1044 HydrophobicContact CB-CG1 4.24Å; F1009-V1044 HydrophobicContact CD1-CG1 4.15Å; F1009-V1044 HydrophobicContact CD1-CG2 4.3Å; F1009-V1044 HydrophobicContact CD2-CG1 3.75Å; F1009-V1044 HydrophobicContact CE1-CG2 4.19Å; F1009-V1044 HydrophobicContact CE2-CG1 4.21Å; F1009-V1044 HydrophobicContact CG-CG1 3.75Å; F1009-V1044 HydrophobicContact CZ-CG2 4.5Å; W1011-V1044 HydrophobicContact CH2-CG1 3.85Å; W1011-V1044 HydrophobicContact CZ2-CG1 3.67Å; A1036-V1044 HydrophobicContact CB-CG2 4.08Å; V1044-V1055 WeakPolarHBondContact O-CA 3.2Å; V1044-V1056 HydrophobicContact CG1-CB 4.22Å; V1044-V1056 PolarHBondContact N-O 2.85Å; V1044-V1056 PolarHBondContact O-N 3.27Å
1045	A	98.3	Very high	97.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	144.7	164.6	0	0	0	0	0	109	A1036 S1037 L1039 C1054 V1055 L1104 L1117	A1036-A1045 CarbonylContact C-O 3.59Å; A1036-A1045 VanDerWaalsContact CA-O 3.22Å; A1036-A1045 WeakPolarHBondContact CA-O 3.4Å; A1036-A1045 WeakPolarHBondContact CB-O 3.16Å; S1037-A1045 PolarHBondContact N-O 3.43Å; S1037-A1045 PolarHBondContact O-N 3.24Å; L1039-A1045 HydrophobicContact CD1-CB 4.07Å; L1039-A1045 HydrophobicContact CD2-CB 4.08Å; L1039-A1045 HydrophobicContact CG-CB 4.04Å; A1045-C1054 CarbonylContact C-O 3.58Å; A1045-C1054 VanDerWaalsContact CA-O 3.31Å; A1045-C1054 WeakPolarHBondContact CA-O 3.36Å; A1045-V1055 HydrophobicContact CB-CG2 3.96Å; A1045-L1104 HydrophobicContact CB-CD2 3.75Å; A1045-L1117 HydrophobicContact CB-CD1 4.28Å; A1045-L1117 HydrophobicContact CB-CD2 3.57Å
1046	G	97.9	Very high	97.2	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	160.6	-179.1	0	0	0	0	0	113.3	T1035 I1053 C1054	T1035-G1046 WeakPolarHBondContact O-CA 3.39Å; G1046-I1053 CarbonylContact O-C 3.59Å; G1046-I1053 WeakPolarHBondContact O-CA 3.41Å; G1046-C1054 PolarHBondContact N-O 2.69Å; G1046-C1054 PolarHBondContact O-N 2.94Å; G1046-C1054 PolarHBondContact O-SG 3.14Å
1047	A	98.3	Very high	97.1	Very high	3 Å²	3	26.9 Å²	26.9	3%	0.025	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	161.7	176.7	0	0	0	0	0	112.3	V1033 T1034 T1035 N1052 I1053 V1101	V1033-A1047 WeakPolarHBondContact CA-O 3.46Å; T1034-A1047 PolarHBondContact N-O 2.96Å; T1034-A1047 PolarHBondContact OG1-O 2.66Å; T1035-A1047 HydrophobicContact CG2-CB 4.04Å; T1035-A1047 PolarHBondContact O-N 3.35Å; A1047-N1052 CarbonylContact C-O 3.6Å; A1047-N1052 WeakPolarHBondContact CA-O 3.41Å; A1047-N1052 WeakPolarHBondContact CB-O 3.45Å; A1047-I1053 HydrophobicContact CB-CG1 4.16Å; A1047-V1101 HydrophobicContact CB-CB 3.56Å; A1047-V1101 HydrophobicContact CB-CG1 3.68Å; A1047-V1101 HydrophobicContact CB-CG2 4.35Å
1048	D	97.5	Very high	97.1	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	167.4	-179.3	68.5	33.6	0	0	0	114	W1032 F1050 G1051 N1052	W1032-D1048 CarbonylContact O-C 3.56Å; W1032-D1048 WeakPolarHBondContact O-CA 3.38Å; W1032-D1048 WeakPolarHBondContact O-CB 3.19Å; D1048-F1050 PolarHBondContact O-N 2.9Å; D1048-F1050 WeakPolarHBondContact OD1-CA 3.34Å; D1048-F1050 WeakPolarHBondContact OD1-CB 3.32Å; D1048-F1050 PolarHBondContact OD1-N 3.32Å; D1048-G1051 PolarHBondContact O-N 3.15Å; D1048-G1051 PolarHBondContact OD1-N 3.45Å; D1048-G1051 VanDerWaalsContact OD1-N 3.11Å; D1048-N1052 VanDerWaalsContact CG-ND2 3.34Å; D1048-N1052 PolarHBondContact N-O 2.93Å; D1048-N1052 PolarHBondContact OD1-N 2.95Å; D1048-N1052 PolarHBondContact OD1-ND2 2.81Å; D1048-N1052 WeakPolarHBondContact OD2-CB 3.4Å; D1048-N1052 PolarHBondContact OD2-ND2 2.93Å
1049	K	96.9	Very high	97	Very high	123 Å²	123	25.8 Å²	25.8	54%	0.535	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-26.4	179.9	-176.3	175.9	177.3	-179	0	112.9	W1032 T1034 G1051 T1100	W1032-K1049 HydrophobicContact CB-CB 3.88Å; W1032-K1049 PolarHBondContact O-N 2.91Å; T1034-K1049 HydrophobicContact CG2-CB 4.2Å; K1049-G1051 VanDerWaalsContact C-N 3.33Å; K1049-T1100 PolarHBondContact O-OG1 3.26Å
1050	F	95.5	Very high	96.7	Very high	82 Å²	82	30.3 Å²	30.3	36%	0.36	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	4.3	-176.3	-58.8	-62.7	0	0	0	113	W1032 D1048 H1096 Y1167	W1032-F1050 HydrophobicContact CB-CE2 4.37Å; W1032-F1050 AromaticContact CD1-CE2 3.51Å; W1032-F1050 AromaticContact CG-CE2 4Å; W1032-F1050 HydrophobicContact CG-CE2 4Å; D1048-F1050 PolarHBondContact O-N 2.9Å; D1048-F1050 WeakPolarHBondContact OD1-CA 3.34Å; D1048-F1050 WeakPolarHBondContact OD1-CB 3.32Å; D1048-F1050 PolarHBondContact OD1-N 3.32Å; F1050-H1096 PolarHBondContact O-CE1 3.21Å; F1050-Y1167 HydrophobicContact CB-CD1 4.25Å; F1050-Y1167 HydrophobicContact CB-CD2 3.77Å; F1050-Y1167 HydrophobicContact CB-CE1 4.02Å; F1050-Y1167 HydrophobicContact CB-CE2 3.54Å; F1050-Y1167 HydrophobicContact CB-CG 4.12Å; F1050-Y1167 AromaticContact CD1-CE1 3.94Å; F1050-Y1167 HydrophobicContact CD1-CE1 3.94Å; F1050-Y1167 AromaticContact CD1-CZ 3.82Å; F1050-Y1167 HydrophobicContact CG-CD1 4.32Å; F1050-Y1167 AromaticContact CG-CE1 3.93Å; F1050-Y1167 HydrophobicContact CG-CE1 3.93Å; F1050-Y1167 HydrophobicContact CG-CE2 4.3Å; F1050-Y1167 AromaticContact CG-CZ 3.91Å; F1050-Y1167 WeakPolarHBondContact O-CE2 3.28Å
1051	G	96.3	Very high	96.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	83.8	24.3	173.2	0	0	0	0	0	114.5	D1048 K1049 H1096 V1097 E1099	D1048-G1051 PolarHBondContact O-N 3.15Å; D1048-G1051 PolarHBondContact OD1-N 3.45Å; D1048-G1051 VanDerWaalsContact OD1-N 3.11Å; K1049-G1051 VanDerWaalsContact C-N 3.33Å; G1051-H1096 PolarHBondContact O-ND1 2.91Å; G1051-V1097 PolarHBondContact O-N 3.08Å; G1051-E1099 WeakPolarHBondContact CA-O 3.4Å
1052	N	97.8	Very high	96.2	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	144.2	169.4	-47.4	-73.2	0	0	0	110.4	A1047 D1048 Y1095 H1096 F1168	A1047-N1052 CarbonylContact C-O 3.6Å; A1047-N1052 WeakPolarHBondContact CA-O 3.41Å; A1047-N1052 WeakPolarHBondContact CB-O 3.45Å; D1048-N1052 VanDerWaalsContact CG-ND2 3.34Å; D1048-N1052 PolarHBondContact N-O 2.93Å; D1048-N1052 PolarHBondContact OD1-N 2.95Å; D1048-N1052 PolarHBondContact OD1-ND2 2.81Å; D1048-N1052 WeakPolarHBondContact OD2-CB 3.4Å; D1048-N1052 PolarHBondContact OD2-ND2 2.93Å; N1052-Y1095 CarbonylContact C-O 3.58Å; N1052-Y1095 WeakPolarHBondContact CA-O 3.36Å; N1052-H1096 PolarHBondContact OD1-ND1 2.76Å; N1052-H1096 VanDerWaalsContact OD1-ND1 3.09Å; N1052-F1168 HydrophobicContact CB-CD2 4.4Å
1053	I	98.4	Very high	95.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.7	163.1	-56.5	177.2	0	0	0	107.4	G1046 A1047 M1093 N1094 Y1095 V1097 V1101 L1104 Y1119 L1129	G1046-I1053 CarbonylContact O-C 3.59Å; G1046-I1053 WeakPolarHBondContact O-CA 3.41Å; A1047-I1053 HydrophobicContact CB-CG1 4.16Å; I1053-M1093 HydrophobicContact CB-CE 4.41Å; I1053-M1093 HydrophobicContact CG2-CE 3.72Å; I1053-N1094 CarbonylContact O-C 3.59Å; I1053-N1094 WeakPolarHBondContact O-CA 3.44Å; I1053-Y1095 PolarHBondContact N-O 2.8Å; I1053-Y1095 PolarHBondContact O-N 3.12Å; I1053-V1097 HydrophobicContact CD1-CG2 3.65Å; I1053-V1097 HydrophobicContact CG1-CG2 3.86Å; I1053-V1101 HydrophobicContact CD1-CG2 4.06Å; I1053-V1101 HydrophobicContact CG1-CG2 3.99Å; I1053-L1104 HydrophobicContact CD1-CD1 4.38Å; I1053-L1104 HydrophobicContact CG2-CD1 4.42Å; I1053-Y1119 HydrophobicContact CD1-CD1 3.55Å; I1053-Y1119 HydrophobicContact CD1-CD2 4.26Å; I1053-Y1119 HydrophobicContact CD1-CE1 4Å; I1053-Y1119 HydrophobicContact CD1-CG 3.7Å; I1053-L1129 HydrophobicContact CB-CD1 4.39Å; I1053-L1129 HydrophobicContact CD1-CD1 3.96Å; I1053-L1129 HydrophobicContact CG2-CD1 3.86Å
1054	C	97.9	Very high	95	Very high	3 Å²	3	36 Å²	36	2%	0.02	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	155.4	175.7	64.9	0	0	0	0	111	A1045 G1046 M1093	A1045-C1054 CarbonylContact C-O 3.58Å; A1045-C1054 VanDerWaalsContact CA-O 3.31Å; A1045-C1054 WeakPolarHBondContact CA-O 3.36Å; G1046-C1054 PolarHBondContact N-O 2.69Å; G1046-C1054 PolarHBondContact O-N 2.94Å; G1046-C1054 PolarHBondContact O-SG 3.14Å; C1054-M1093 CarbonylContact C-O 3.56Å; C1054-M1093 VanDerWaalsContact CA-O 3.24Å; C1054-M1093 WeakPolarHBondContact CA-O 3.48Å
1055	V	98.2	Very high	94.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.5	163.2	-175.5	0	0	0	0	108.4	L1039 T1043 V1044 A1045 I1092 M1093	L1039-V1055 HydrophobicContact CD1-CG1 3.71Å; L1039-V1055 HydrophobicContact CD1-CG2 4.13Å; T1043-V1055 HydrophobicContact CG2-CG1 3.27Å; V1044-V1055 WeakPolarHBondContact O-CA 3.2Å; A1045-V1055 HydrophobicContact CB-CG2 3.96Å; V1055-I1092 HydrophobicContact CB-CD1 4.26Å; V1055-I1092 HydrophobicContact CB-CG1 3.78Å; V1055-I1092 HydrophobicContact CG1-CD1 3.65Å; V1055-I1092 HydrophobicContact CG1-CG1 3.67Å; V1055-I1092 WeakPolarHBondContact O-CG1 3.1Å; V1055-I1092 PolarHBondContact O-N 2.83Å; V1055-M1093 HydrophobicContact CB-CB 3.88Å; V1055-M1093 HydrophobicContact CG2-CB 3.95Å; V1055-M1093 HydrophobicContact CG2-CE 3.53Å; V1055-M1093 HydrophobicContact CG2-CG 4.48Å; V1055-M1093 PolarHBondContact N-O 2.7Å; V1055-M1093 PolarHBondContact O-N 3.13Å
1056	V	97.5	Very high	92.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132	-178.3	-170.4	0	0	0	0	108.7	F1009 W1011 D1027 T1043 V1044 A1089 E1090 V1091	F1009-V1056 HydrophobicContact CD2-CG2 4.17Å; W1011-V1056 HydrophobicContact CH2-CB 4.08Å; W1011-V1056 HydrophobicContact CH2-CG1 3.61Å; W1011-V1056 HydrophobicContact CZ2-CG1 4.48Å; W1011-V1056 HydrophobicContact CZ3-CG1 4.34Å; D1027-V1056 HydrophobicContact CB-CG1 4.45Å; T1043-V1056 WeakPolarHBondContact CA-O 3.42Å; V1044-V1056 HydrophobicContact CG1-CB 4.22Å; V1044-V1056 PolarHBondContact N-O 2.85Å; V1044-V1056 PolarHBondContact O-N 3.27Å; V1056-A1089 HydrophobicContact CG1-CB 3.42Å; V1056-A1089 VanDerWaalsContact CG1-CB 3.42Å; V1056-E1090 WeakPolarHBondContact CA-O 3.24Å; V1056-V1091 HydrophobicContact CG2-CG2 4.39Å
1057	R	96.9	Very high	91.2	Very high	84 Å²	84	49.5 Å²	49.5	32%	0.317	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.1	-174.9	-177	173	-175.9	106.6	7.8	111.6	D1040 D1042 T1043 E1090 I1092	D1040-R1057 IonicContact OD1-NH1 2.71Å; D1040-R1057 IonicContact OD2-CZ 2.74Å; D1040-R1057 IonicContact OD2-NH1 3.67Å; D1040-R1057 PolarHBondContact OD2-NH1 2.57Å; D1040-R1057 IonicContact OD2-NH2 2.98Å; D1042-R1057 HydrophobicContact CB-CG 4.37Å; D1042-R1057 CarbonylContact O-C 3.51Å; D1042-R1057 WeakPolarHBondContact O-CA 3.46Å; D1042-R1057 IonicContact OD2-NH2 3.9Å; T1043-R1057 HydrophobicContact CG2-CB 4.12Å; T1043-R1057 HydrophobicContact CG2-CG 4.48Å; T1043-R1057 WeakPolarHBondContact OG1-CD 3.12Å; T1043-R1057 WeakPolarHBondContact OG1-CG 3.43Å; T1043-R1057 PolarHBondContact OG1-NH1 3.13Å; R1057-E1090 PolarHBondContact N-O 2.89Å; R1057-E1090 PolarHBondContact O-N 2.88Å; R1057-I1092 HydrophobicContact CB-CD1 4.15Å; R1057-I1092 HydrophobicContact CB-CG2 4.13Å
1058	L	96.3	Very high	89.3	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	27%	0.267	C	S	.	.			trans	-69.3	135.4	168.6	-66	179.3	0	0	0	111.5	W1011 F1024 A1025 D1042 T1062 A1089	W1011-L1058 VanDerWaalsContact CD1-CD1 3.43Å; W1011-L1058 HydrophobicContact CD2-CD1 4.45Å; W1011-L1058 HydrophobicContact CD2-CD2 3.81Å; W1011-L1058 HydrophobicContact CD2-CG 4.18Å; W1011-L1058 HydrophobicContact CE3-CD2 4.24Å; W1011-L1058 HydrophobicContact CG-CD1 3.95Å; W1011-L1058 HydrophobicContact CG-CD2 3.99Å; W1011-L1058 HydrophobicContact CG-CG 4.19Å; W1011-L1058 HydrophobicContact CZ2-CD2 4.49Å; W1011-L1058 HydrophobicContact CZ2-CG 4.43Å; F1024-L1058 HydrophobicContact CE2-CD1 3.78Å; F1024-L1058 HydrophobicContact CZ-CD1 3.92Å; A1025-L1058 HydrophobicContact CB-CD2 3.53Å; D1042-L1058 HydrophobicContact CB-CB 4.18Å; D1042-L1058 PolarHBondContact O-N 2.82Å; L1058-T1062 HydrophobicContact CB-CG2 4.49Å; L1058-T1062 HydrophobicContact CD1-CG2 4.22Å; L1058-T1062 HydrophobicContact CD2-CG2 4.32Å; L1058-A1089 HydrophobicContact CD2-CB 4.04Å
1059	P	95.1	Very high	87.1	Confident	32 Å²	32	54.3 Å²	54.3	21%	0.208	28%	0.279	C	S	.	.			trans	-56	149.4	172.4	-26.8	34.3	0	0	0	112.6	N1061 T1062 K1088 E1090	P1059-N1061 PolarHBondContact O-N 3.25Å; P1059-T1062 WeakPolarHBondContact CD-OG1 3.47Å; P1059-T1062 WeakPolarHBondContact O-CB 3.26Å; P1059-T1062 PolarHBondContact O-N 3.32Å; P1059-T1062 PolarHBondContact O-OG1 2.92Å; P1059-K1088 WeakPolarHBondContact CD-O 3.25Å; P1059-E1090 HydrophobicContact CG-CG 4.2Å
1060	P	91.4	Very high	84.8	Confident	124 Å²	124	54.5 Å²	54.5	81%	0.805	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.2	-178.3	-26.5	34.5	0	0	0	115.4
1061	N	89.1	Confident	82.7	Confident	158 Å²	158	55 Å²	55	85%	0.845	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	14.6	-178.3	-61.1	-20.3	0	0	0	113.1	P1059 N1063	P1059-N1061 PolarHBondContact O-N 3.25Å; N1061-N1063 PolarHBondContact O-N 3.46Å
1062	T	89.7	Confident	80.5	Confident	27 Å²	27	57 Å²	57	17%	0.166	32%	0.323	C	S	.	.			trans	-66	125	-178.9	-56.3	0	0	0	0	110.5	F1024 L1058 P1059	F1024-T1062 HydrophobicContact CD2-CG2 3.98Å; F1024-T1062 HydrophobicContact CE2-CG2 3.71Å; L1058-T1062 HydrophobicContact CB-CG2 4.49Å; L1058-T1062 HydrophobicContact CD1-CG2 4.22Å; L1058-T1062 HydrophobicContact CD2-CG2 4.32Å; P1059-T1062 WeakPolarHBondContact CD-OG1 3.47Å; P1059-T1062 WeakPolarHBondContact O-CB 3.26Å; P1059-T1062 PolarHBondContact O-N 3.32Å; P1059-T1062 PolarHBondContact O-OG1 2.92Å
1063	N	86.2	Confident	78.2	Confident	81 Å²	81	63.3 Å²	63.3	43%	0.433	36%	0.357	S	S	.	.			trans	-92.6	115.6	175.3	-178	14.2	0	0	0	110.6	N1061 E1065 Q1087	N1061-N1063 PolarHBondContact O-N 3.46Å; N1063-E1065 WeakPolarHBondContact OD1-CA 3.29Å; N1063-E1065 WeakPolarHBondContact OD1-CB 3.43Å; N1063-E1065 PolarHBondContact OD1-N 2.67Å; N1063-Q1087 PolarHBondContact O-NE2 3.17Å
1064	D	82.5	Confident	75.9	Confident	31 Å²	31	69 Å²	69	17%	0.166	38%	0.381	C	S	.	.			trans	-92	1	174.4	70.1	-7.9	0	0	0	113.9	R999 R1013 F1024 V1066	R999-D1064 IonicContact NH2-OD2 3.08Å; R999-D1064 PolarHBondContact NH2-OD2 3Å; R1013-D1064 IonicContact CZ-OD2 3.69Å; R1013-D1064 IonicContact NE-OD2 3.23Å; R1013-D1064 IonicContact NH1-OD2 2.72Å; R1013-D1064 PolarHBondContact NH1-OD2 3.35Å; F1024-D1064 HydrophobicContact CD1-CB 4.2Å; F1024-D1064 HydrophobicContact CD2-CB 4.02Å; F1024-D1064 HydrophobicContact CE1-CB 4.04Å; F1024-D1064 HydrophobicContact CE2-CB 3.86Å; F1024-D1064 HydrophobicContact CG-CB 4.19Å; F1024-D1064 HydrophobicContact CZ-CB 3.86Å; D1064-V1066 PolarHBondContact O-N 3.33Å
1065	E	79.1	Confident	73.7	Confident	152 Å²	152	71.9 Å²	71.9	71%	0.71	41%	0.406	S	S	*	.			trans	-86.1	55	169.2	-58.6	-166.3	156	0	0	111.7	N1063	N1063-E1065 WeakPolarHBondContact OD1-CA 3.29Å; N1063-E1065 WeakPolarHBondContact OD1-CB 3.43Å; N1063-E1065 PolarHBondContact OD1-N 2.67Å
1066	V	68.8	Low	71.3	Confident	34 Å²	34	78.7 Å²	78.7	21%	0.206	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-84.4	129.7	170.8	-176.4	0	0	0	0	108.7	I1022 F1024 D1064	I1022-V1066 WeakPolarHBondContact CD1-O 3.31Å; I1022-V1066 HydrophobicContact CG2-CB 4.38Å; F1024-V1066 HydrophobicContact CB-CB 4.15Å; F1024-V1066 HydrophobicContact CB-CG2 3.68Å; D1064-V1066 PolarHBondContact O-N 3.33Å
1067	D	65.2	Low	69.1	Low	99 Å²	99	90 Å²	90	53%	0.529	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-92.3	116.6	168.9	-72.6	-24.9	0	0	0	109.1	K1015 D1069	K1015-D1067 IonicContact NZ-OD1 3.14Å; K1015-D1067 PolarHBondContact NZ-OD1 3.37Å; D1067-D1069 PolarHBondContact O-N 3.08Å
1068	E	58.8	Low	67	Low	60 Å²	60	90.6 Å²	90.6	28%	0.28	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-66.2	125	159.6	-97.1	176.3	-177.3	0	0	107.5	H985 Q1020 I1022 P1070	H985-E1068 IonicContact CD2-OE1 2.69Å; Q1020-E1068 PolarHBondContact NE2-OE2 3.08Å; I1022-E1068 HydrophobicContact CG2-CG 4.2Å; E1068-P1070 WeakPolarHBondContact O-CD 3.35Å
1069	D	51.8	Low	64.9	Low	49 Å²	49	99.7 Å²	99.7	26%	0.262	53%	0.528	S	S	.	.			trans	-82.6	103.3	173.5	176	15	0	0	0	110.1	D1067 T1071 G1072 N1073 K1074	D1067-D1069 PolarHBondContact O-N 3.08Å; D1069-T1071 VanDerWaalsContact CG-OG1 3.28Å; D1069-T1071 PolarHBondContact O-N 2.9Å; D1069-T1071 VanDerWaalsContact O-N 3.15Å; D1069-T1071 WeakPolarHBondContact OD1-CA 3.5Å; D1069-T1071 WeakPolarHBondContact OD1-CB 3.44Å; D1069-T1071 PolarHBondContact OD1-N 3.43Å; D1069-T1071 PolarHBondContact OD1-OG1 3.09Å; D1069-T1071 PolarHBondContact OD2-OG1 3.4Å; D1069-G1072 PolarHBondContact O-N 2.81Å; D1069-N1073 WeakPolarHBondContact OD2-CA 3.38Å; D1069-N1073 PolarHBondContact OD2-N 2.98Å; D1069-K1074 HydrophobicContact CB-CB 3.97Å; D1069-K1074 HydrophobicContact CB-CD 4.35Å; D1069-K1074 HydrophobicContact CB-CG 4.32Å; D1069-K1074 PolarHBondContact OD2-N 3.17Å
1070	P	48.5	Very low	63.2	Low	126 Å²	126	98.7 Å²	98.7	82%	0.818	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-13.8	177.7	28.3	-35.8	0	0	0	113.2	E1068	E1068-P1070 WeakPolarHBondContact O-CD 3.35Å
1071	T	50.6	Low	61.6	Low	93 Å²	93	98.2 Å²	98.2	57%	0.571	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.6	179	73.3	0	0	0	0	113.5	D1069 N1073	D1069-T1071 VanDerWaalsContact CG-OG1 3.28Å; D1069-T1071 PolarHBondContact O-N 2.9Å; D1069-T1071 VanDerWaalsContact O-N 3.15Å; D1069-T1071 WeakPolarHBondContact OD1-CA 3.5Å; D1069-T1071 WeakPolarHBondContact OD1-CB 3.44Å; D1069-T1071 PolarHBondContact OD1-N 3.43Å; D1069-T1071 PolarHBondContact OD1-OG1 3.09Å; D1069-T1071 PolarHBondContact OD2-OG1 3.4Å; T1071-N1073 PolarHBondContact O-N 3.41Å; T1071-N1073 PolarHBondContact OG1-ND2 2.85Å
1072	G	49.9	Very low	60.5	Low	42 Å²	42	96.7 Å²	96.7	43%	0.433	51%	0.505	S	S	.	.	S	Bend	trans	67.9	6.9	-180	0	0	0	0	0	114.9	D1069 A1075	D1069-G1072 PolarHBondContact O-N 2.81Å; G1072-A1075 WeakPolarHBondContact O-CB 3.21Å; G1072-A1075 PolarHBondContact O-N 3.34Å
1073	N	50	Low	59.7	Low	134 Å²	134	101.9 Å²	101.9	72%	0.717	53%	0.532	S	S	*	.	S	Bend	trans	-75.5	-28.4	-178.1	-75.8	-49.1	0	0	0	112.7	D1069 T1071	D1069-N1073 WeakPolarHBondContact OD2-CA 3.38Å; D1069-N1073 PolarHBondContact OD2-N 2.98Å; T1071-N1073 PolarHBondContact O-N 3.41Å; T1071-N1073 PolarHBondContact OG1-ND2 2.85Å
1074	K	49.6	Very low	59.3	Low	119 Å²	119	99.5 Å²	99.5	52%	0.517	53%	0.526	S	S	.	.	S	Bend	trans	-83.3	-14	172.1	-74.2	-172.5	176	179	0	114.2	D1069 L1076 W1077 D1078	D1069-K1074 HydrophobicContact CB-CB 3.97Å; D1069-K1074 HydrophobicContact CB-CD 4.35Å; D1069-K1074 HydrophobicContact CB-CG 4.32Å; D1069-K1074 PolarHBondContact OD2-N 3.17Å; K1074-L1076 PolarHBondContact O-N 3.25Å; K1074-W1077 PolarHBondContact O-N 2.85Å; K1074-D1078 PolarHBondContact O-N 2.88Å
1075	A	51.9	Low	59.4	Low	64 Å²	64	98.5 Å²	98.5	53%	0.529	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.3	-166.2	0	0	0	0	0	115.9	G1072	G1072-A1075 WeakPolarHBondContact O-CB 3.21Å; G1072-A1075 PolarHBondContact O-N 3.34Å
1076	L	48.8	Very low	59.6	Low	143 Å²	143	94 Å²	94	75%	0.749	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-34.2	179.6	-139	94.2	0	0	0	113.3	K1074	K1074-L1076 PolarHBondContact O-N 3.25Å
1077	W	50.8	Low	60.7	Low	236 Å²	236	94.3 Å²	94.3	89%	0.894	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-18.2	-175.6	-62.3	98.9	0	0	0	113	K1074 R1079	K1074-W1077 PolarHBondContact O-N 2.85Å; W1077-R1079 VanDerWaalsContact C-N 3.35Å
1078	D	53	Low	62	Low	98 Å²	98	91.1 Å²	91.1	52%	0.524	49%	0.488	S	S	.	.			trans	-92.3	22	175.7	-95	-25.8	0	0	0	113.4	K1074 G1080	K1074-D1078 PolarHBondContact O-N 2.88Å; D1078-G1080 VanDerWaalsContact C-N 3.33Å; D1078-G1080 PolarHBondContact O-N 2.88Å
1079	R	53	Low	63.7	Low	191 Å²	191	88.4 Å²	88.4	72%	0.721	48%	0.476	S	S	*	.			trans	-61.3	103	165.5	-80.3	-168.6	177.3	-170.6	-0	107.5	W1077	W1077-R1079 VanDerWaalsContact C-N 3.35Å
1080	G	57.9	Low	65.8	Low	11 Å²	11	91.6 Å²	91.6	11%	0.113	49%	0.489	C	S	.	.			trans	-54.8	156.3	177.4	0	0	0	0	0	111.1	D1078 L1082 N1083 G1084 A1085	D1078-G1080 VanDerWaalsContact C-N 3.33Å; D1078-G1080 PolarHBondContact O-N 2.88Å; G1080-L1082 PolarHBondContact O-N 2.87Å; G1080-N1083 PolarHBondContact O-N 2.99Å; G1080-G1084 WeakPolarHBondContact CA-O 3.39Å; G1080-A1085 WeakPolarHBondContact CA-O 3.14Å
1081	L	58.9	Low	68.1	Low	115 Å²	115	86.4 Å²	86.4	60%	0.602	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-50	134.8	178.6	-173.1	66.4	0	0	0	109.7	N1083 G1084 K1088	L1081-N1083 VanDerWaalsContact C-N 3.28Å; L1081-N1083 PolarHBondContact O-N 2.81Å; L1081-G1084 PolarHBondContact O-N 2.91Å; L1081-K1088 HydrophobicContact CB-CG 4.4Å; L1081-K1088 HydrophobicContact CD2-CG 3.94Å; L1081-K1088 WeakPolarHBondContact O-CE 3.36Å; L1081-K1088 PolarHBondContact O-NZ 2.84Å
1082	L	66.1	Low	70.2	Confident	126 Å²	126	83.5 Å²	83.5	66%	0.66	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	61	23.8	-177.1	-57.7	167.2	0	0	0	115.7	G1080 G1084	G1080-L1082 PolarHBondContact O-N 2.87Å; L1082-G1084 PolarHBondContact O-N 2.8Å
1083	N	71.3	Confident	72.5	Confident	136 Å²	136	81.5 Å²	81.5	73%	0.727	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	62.6	18.5	-173.5	-53.9	-54.7	0	0	0	114.3	G1080 L1081	G1080-N1083 PolarHBondContact O-N 2.99Å; L1081-N1083 VanDerWaalsContact C-N 3.28Å; L1081-N1083 PolarHBondContact O-N 2.81Å
1084	G	78.7	Confident	74.8	Confident	31 Å²	31	75.3 Å²	75.3	32%	0.32	38%	0.382	S	S	.	.	S	Bend	trans	-103.3	-149.7	174.9	0	0	0	0	0	112.4	D1026 G1080 L1081 L1082	D1026-G1084 VanDerWaalsContact OD2-CA 3.31Å; D1026-G1084 WeakPolarHBondContact OD2-CA 3.3Å; G1080-G1084 WeakPolarHBondContact CA-O 3.39Å; L1081-G1084 PolarHBondContact O-N 2.91Å; L1082-G1084 PolarHBondContact O-N 2.8Å
1085	A	85.5	Confident	77.1	Confident	10 Å²	10	69.7 Å²	69.7	8%	0.083	36%	0.357	C	S	.	.			trans	-62.6	160.1	174.3	0	0	0	0	0	112.4	I1023 D1026 G1080 Q1087	I1023-A1085 HydrophobicContact CG2-CB 3.86Å; D1026-A1085 HydrophobicContact CB-CB 4.14Å; D1026-A1085 PolarHBondContact OD2-N 2.83Å; G1080-A1085 WeakPolarHBondContact CA-O 3.14Å; A1085-Q1087 PolarHBondContact O-N 2.84Å
1086	S	82.9	Confident	79.3	Confident	56 Å²	56	67 Å²	67	39%	0.392	33%	0.334	S	S	.	.	S	Bend	trans	-65.3	-26.9	-178.3	56.3	0	0	0	0	113.4
1087	Q	91.3	Very high	81.6	Confident	42 Å²	42	60.3 Å²	60.3	20%	0.196	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	150.5	-179	-63.2	166.9	101.4	0	0	110.6	F1024 A1025 D1026 N1063 A1085	F1024-Q1087 PolarHBondContact O-N 2.85Å; F1024-Q1087 PolarHBondContact O-NE2 3.38Å; A1025-Q1087 WeakPolarHBondContact CA-O 3.42Å; A1025-Q1087 HydrophobicContact CB-CB 4.13Å; A1025-Q1087 WeakPolarHBondContact CB-O 3.48Å; D1026-Q1087 PolarHBondContact N-O 2.85Å; N1063-Q1087 PolarHBondContact O-NE2 3.17Å; A1085-Q1087 PolarHBondContact O-N 2.84Å
1088	K	92.3	Very high	83.6	Confident	31 Å²	31	50 Å²	50	14%	0.135	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.8	-175.9	-62.4	-53	-178.6	176.6	0	111.6	D1026 T1028 P1059 L1081	D1026-K1088 WeakPolarHBondContact O-CA 3.44Å; D1026-K1088 WeakPolarHBondContact OD1-CD 3.35Å; D1026-K1088 VanDerWaalsContact OD1-CE 3.29Å; D1026-K1088 WeakPolarHBondContact OD1-CE 3.29Å; D1026-K1088 IonicContact OD1-NZ 2.69Å; D1026-K1088 PolarHBondContact OD1-NZ 2.79Å; D1026-K1088 IonicContact OD2-NZ 2.76Å; D1026-K1088 PolarHBondContact OD2-NZ 2.67Å; T1028-K1088 HydrophobicContact CG2-CB 3.71Å; T1028-K1088 HydrophobicContact CG2-CD 4.21Å; T1028-K1088 HydrophobicContact CG2-CG 3.91Å; P1059-K1088 WeakPolarHBondContact CD-O 3.25Å; L1081-K1088 HydrophobicContact CB-CG 4.4Å; L1081-K1088 HydrophobicContact CD2-CG 3.94Å; L1081-K1088 WeakPolarHBondContact O-CE 3.36Å; L1081-K1088 PolarHBondContact O-NZ 2.84Å
1089	A	95	Very high	85.7	Confident	3 Å²	3	46.1 Å²	46.1	3%	0.025	24%	0.244	C	C	.	.			trans	-81.7	159.8	170.6	0	0	0	0	0	111.3	W1011 D1026 V1056 L1058	W1011-A1089 HydrophobicContact CE3-CB 4.35Å; W1011-A1089 HydrophobicContact CH2-CB 3.67Å; W1011-A1089 HydrophobicContact CZ2-CB 4.35Å; W1011-A1089 HydrophobicContact CZ3-CB 3.65Å; D1026-A1089 PolarHBondContact O-N 2.8Å; V1056-A1089 HydrophobicContact CG1-CB 3.42Å; V1056-A1089 VanDerWaalsContact CG1-CB 3.42Å; L1058-A1089 HydrophobicContact CD2-CB 4.04Å
1090	E	95.4	Very high	87.8	Confident	116 Å²	116	38.7 Å²	38.7	54%	0.542	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.7	179.9	-67.4	179.8	-173.4	0	0	111	V1056 R1057 P1059 I1092	V1056-E1090 WeakPolarHBondContact CA-O 3.24Å; R1057-E1090 PolarHBondContact N-O 2.89Å; R1057-E1090 PolarHBondContact O-N 2.88Å; P1059-E1090 HydrophobicContact CG-CG 4.2Å; E1090-I1092 PolarHBondContact O-N 2.9Å
1091	V	96.3	Very high	89.7	Confident	18 Å²	18	38.1 Å²	38.1	11%	0.109	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	109.4	170.4	-177.3	0	0	0	0	108.8	Y1029 V1056 M1093 N1094 K1171	Y1029-V1091 HydrophobicContact CD2-CG2 3.79Å; Y1029-V1091 HydrophobicContact CE2-CG2 4.05Å; V1056-V1091 HydrophobicContact CG2-CG2 4.39Å; V1091-M1093 WeakPolarHBondContact CG1-O 3.5Å; V1091-N1094 HydrophobicContact CG1-CB 4.3Å; V1091-K1171 WeakPolarHBondContact O-CE 3.27Å; V1091-K1171 PolarHBondContact O-NZ 2.8Å
1092	I	96.5	Very high	91.5	Very high	32 Å²	32	34.3 Å²	34.3	16%	0.164	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-20	-179.3	63.4	170.8	0	0	0	113.1	M1 T1043 V1055 R1057 E1090 N1172	M1-I1092 HydrophobicContact CB-CD1 4.42Å; M1-I1092 HydrophobicContact SD-CD1 4.19Å; T1043-I1092 HydrophobicContact CG2-CD1 4.28Å; V1055-I1092 HydrophobicContact CB-CD1 4.26Å; V1055-I1092 HydrophobicContact CB-CG1 3.78Å; V1055-I1092 HydrophobicContact CG1-CD1 3.65Å; V1055-I1092 HydrophobicContact CG1-CG1 3.67Å; V1055-I1092 WeakPolarHBondContact O-CG1 3.1Å; V1055-I1092 PolarHBondContact O-N 2.83Å; R1057-I1092 HydrophobicContact CB-CD1 4.15Å; R1057-I1092 HydrophobicContact CB-CG2 4.13Å; E1090-I1092 PolarHBondContact O-N 2.9Å; I1092-N1172 PolarHBondContact O-ND2 2.78Å
1093	M	97.2	Very high	93	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	141.5	178.6	-176.1	-78.9	-79.4	0	0	109.5	L3 I1053 C1054 V1055 V1091 L1129 K1171 V1173	L3-M1093 HydrophobicContact CD1-CE 3.73Å; L3-M1093 HydrophobicContact CD1-CG 3.77Å; L3-M1093 HydrophobicContact CD1-SD 4.32Å; L3-M1093 HydrophobicContact CG-CG 4.44Å; I1053-M1093 HydrophobicContact CB-CE 4.41Å; I1053-M1093 HydrophobicContact CG2-CE 3.72Å; C1054-M1093 CarbonylContact C-O 3.56Å; C1054-M1093 VanDerWaalsContact CA-O 3.24Å; C1054-M1093 WeakPolarHBondContact CA-O 3.48Å; V1055-M1093 HydrophobicContact CB-CB 3.88Å; V1055-M1093 HydrophobicContact CG2-CB 3.95Å; V1055-M1093 HydrophobicContact CG2-CE 3.53Å; V1055-M1093 HydrophobicContact CG2-CG 4.48Å; V1055-M1093 PolarHBondContact N-O 2.7Å; V1055-M1093 PolarHBondContact O-N 3.13Å; V1091-M1093 WeakPolarHBondContact CG1-O 3.5Å; M1093-L1129 HydrophobicContact CE-CD1 3.83Å; M1093-K1171 WeakPolarHBondContact CA-O 3.12Å; M1093-V1173 HydrophobicContact CG-CG2 3.28Å; M1093-V1173 HydrophobicContact SD-CG2 3.31Å; M1093-V1173 WeakPolarHBondContact SD-CG2 3.37Å
1094	N	97.9	Very high	94.3	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	136.5	170.4	-179	81.4	0	0	0	111	I1053 V1091 F1168 P1169 V1170 K1171	I1053-N1094 CarbonylContact O-C 3.59Å; I1053-N1094 WeakPolarHBondContact O-CA 3.44Å; V1091-N1094 HydrophobicContact CG1-CB 4.3Å; N1094-F1168 WeakPolarHBondContact ND2-CB 3.46Å; N1094-F1168 PolarHBondContact ND2-O 2.72Å; N1094-F1168 VanDerWaalsContact ND2-O 3.1Å; N1094-P1169 PolarHBondContact ND2-O 3.43Å; N1094-V1170 CarbonylContact O-C 3.54Å; N1094-V1170 WeakPolarHBondContact O-CA 3.32Å; N1094-K1171 HydrophobicContact CB-CB 4.3Å; N1094-K1171 PolarHBondContact N-O 3.32Å; N1094-K1171 PolarHBondContact O-N 3.31Å
1095	Y	98.1	Very high	95.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	133.2	-178.9	-175.9	-107.8	0	0	0	112	N5 N1052 I1053 V1097 R1164 V1170 V1173 D1175	N5-Y1095 HydrophobicContact CB-CD1 4.49Å; N5-Y1095 HydrophobicContact CB-CE1 3.84Å; N5-Y1095 HydrophobicContact CB-CE2 4.41Å; N5-Y1095 PolarHBondContact ND2-OH 2.87Å; N1052-Y1095 CarbonylContact C-O 3.58Å; N1052-Y1095 WeakPolarHBondContact CA-O 3.36Å; I1053-Y1095 PolarHBondContact N-O 2.8Å; I1053-Y1095 PolarHBondContact O-N 3.12Å; Y1095-V1097 HydrophobicContact CD1-CG2 4.02Å; Y1095-V1097 HydrophobicContact CE1-CG2 4.25Å; Y1095-R1164 HydrophobicContact CE2-CB 4.37Å; Y1095-R1164 HydrophobicContact CE2-CG 4.04Å; Y1095-R1164 PolarHBondContact OH-NE 2.97Å; Y1095-R1164 VanDerWaalsContact OH-NE 3.07Å; Y1095-R1164 PolarHBondContact OH-NH1 3.21Å; Y1095-R1164 PolarHBondContact OH-NH2 2.75Å; Y1095-V1170 HydrophobicContact CD2-CG2 3.92Å; Y1095-V1173 HydrophobicContact CD2-CB 3.8Å; Y1095-V1173 HydrophobicContact CD2-CG1 3.57Å; Y1095-V1173 HydrophobicContact CD2-CG2 4.46Å; Y1095-V1173 HydrophobicContact CE2-CG1 3.98Å; Y1095-V1173 HydrophobicContact CG-CB 4.21Å; Y1095-V1173 HydrophobicContact CG-CG1 3.89Å; Y1095-V1173 HydrophobicContact CG-CG2 4.42Å; Y1095-D1175 HydrophobicContact CE2-CB 4.37Å; Y1095-D1175 VanDerWaalsContact OH-CG 3.25Å; Y1095-D1175 PolarHBondContact OH-OD1 2.8Å
1096	H	97.9	Very high	95.7	Very high	8 Å²	8	26.5 Å²	26.5	4%	0.037	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	112.3	173.6	-175.2	67.1	0	0	0	111.2	F1050 G1051 N1052 G1098 F1163 R1164 Y1167	F1050-H1096 PolarHBondContact O-CE1 3.21Å; G1051-H1096 PolarHBondContact O-ND1 2.91Å; N1052-H1096 PolarHBondContact OD1-ND1 2.76Å; N1052-H1096 VanDerWaalsContact OD1-ND1 3.09Å; H1096-G1098 WeakPolarHBondContact NE2-CA 3.28Å; H1096-F1163 PolarHBondContact CD2-O 2.97Å; H1096-R1164 VanDerWaalsContact CB-O 3.28Å; H1096-R1164 WeakPolarHBondContact CB-O 3.45Å; H1096-R1164 PolarHBondContact N-O 2.87Å; H1096-R1164 VanDerWaalsContact O-CD 3.32Å; H1096-R1164 WeakPolarHBondContact O-CD 3.31Å; H1096-R1164 PolarHBondContact O-NH1 2.8Å; H1096-Y1167 AromaticContact CE1-CD2 3.78Å; H1096-Y1167 AromaticContact CE1-CE2 3.74Å; H1096-Y1167 AromaticContact ND1-CD2 3.83Å
1097	V	97	Very high	96.2	Very high	2 Å²	2	25 Å²	25	1%	0.012	13%	0.129	C	C	.	.			trans	-72.1	-33.8	-179	176.1	0	0	0	0	111.4	K36 G1051 I1053 Y1095 V1101 Y1119 T1121 R1164	K36-V1097 PolarHBondContact NZ-O 3.22Å; K36-V1097 VanDerWaalsContact NZ-O 3.11Å; G1051-V1097 PolarHBondContact O-N 3.08Å; I1053-V1097 HydrophobicContact CD1-CG2 3.65Å; I1053-V1097 HydrophobicContact CG1-CG2 3.86Å; Y1095-V1097 HydrophobicContact CD1-CG2 4.02Å; Y1095-V1097 HydrophobicContact CE1-CG2 4.25Å; V1097-V1101 HydrophobicContact CB-CG2 4.48Å; V1097-V1101 HydrophobicContact CG2-CG2 4.15Å; V1097-Y1119 HydrophobicContact CG1-CE2 3.77Å; V1097-Y1119 HydrophobicContact CG2-CE2 4.22Å; V1097-T1121 HydrophobicContact CG1-CG2 4.17Å; V1097-R1164 PolarHBondContact O-NH1 2.78Å; V1097-R1164 VanDerWaalsContact O-NH1 3.12Å
1098	G	94.4	Very high	96.3	Very high	19 Å²	19	24.8 Å²	24.8	20%	0.196	13%	0.131	C	C	.	.	S	Bend	trans	98.4	-4.5	-172.7	0	0	0	0	0	114.2	H1096	H1096-G1098 WeakPolarHBondContact NE2-CA 3.28Å
1099	E	95.4	Very high	96.1	Very high	17 Å²	17	24.2 Å²	24.2	8%	0.079	13%	0.129	C	C	.	.	S	Bend	trans	-143.2	146.3	-175.6	-64.8	166.7	-153.1	0	0	109.9	A11 K36 G1051 V1101 T1121	A11-E1099 WeakPolarHBondContact CB-OE1 3.48Å; K36-E1099 WeakPolarHBondContact CE-OE1 3.31Å; G1051-E1099 WeakPolarHBondContact CA-O 3.4Å; E1099-V1101 PolarHBondContact O-N 2.79Å; E1099-T1121 HydrophobicContact CB-CG2 3.94Å; E1099-T1121 VanDerWaalsContact OE2-CB 3.24Å; E1099-T1121 WeakPolarHBondContact OE2-CB 3.23Å; E1099-T1121 WeakPolarHBondContact OE2-CG2 3.48Å; E1099-T1121 PolarHBondContact OE2-OG1 2.8Å
1100	T	97.4	Very high	95.6	Very high	35 Å²	35	25.4 Å²	25.4	22%	0.215	14%	0.135	C	C	.	.			trans	-63.5	122.7	177.7	-54.4	0	0	0	0	110.7	T1034 K1049 L1102 T1121 L1122	T1034-T1100 HydrophobicContact CG2-CG2 4.06Å; K1049-T1100 PolarHBondContact O-OG1 3.26Å; T1100-L1102 HydrophobicContact CG2-CD2 4.29Å; T1100-L1102 HydrophobicContact CG2-CG 4.49Å; T1100-T1121 CarbonylContact O-C 3.59Å; T1100-T1121 VanDerWaalsContact O-CA 3.25Å; T1100-T1121 WeakPolarHBondContact O-CA 3.27Å; T1100-L1122 PolarHBondContact O-N 3.36Å
1101	V	98.2	Very high	94.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.2	178.5	173.7	0	0	0	0	109.7	T1034 T1035 A1047 I1053 V1097 E1099 S1103 Y1119 T1120 T1121	T1034-V1101 VanDerWaalsContact CB-O 3.3Å; T1034-V1101 WeakPolarHBondContact CB-O 3.48Å; T1034-V1101 PolarHBondContact OG1-O 2.75Å; T1035-V1101 HydrophobicContact CG2-CG1 4.08Å; A1047-V1101 HydrophobicContact CB-CB 3.56Å; A1047-V1101 HydrophobicContact CB-CG1 3.68Å; A1047-V1101 HydrophobicContact CB-CG2 4.35Å; I1053-V1101 HydrophobicContact CD1-CG2 4.06Å; I1053-V1101 HydrophobicContact CG1-CG2 3.99Å; V1097-V1101 HydrophobicContact CB-CG2 4.48Å; V1097-V1101 HydrophobicContact CG2-CG2 4.15Å; E1099-V1101 PolarHBondContact O-N 2.79Å; V1101-S1103 VanDerWaalsContact CG1-O 3.28Å; V1101-S1103 WeakPolarHBondContact CG1-O 3.47Å; V1101-Y1119 HydrophobicContact CG2-CD2 4.11Å; V1101-T1120 WeakPolarHBondContact CA-O 3Å; V1101-T1121 HydrophobicContact CG2-CG2 4.32Å
1102	L	97.4	Very high	93.9	Very high	35 Å²	35	27.3 Å²	27.3	18%	0.183	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-16.7	-175.8	-70.2	177.5	0	0	0	113.9	I407 L408 T1034 T1035 T1100 T1120 L1122	I407-L1102 WeakPolarHBondContact O-CD1 3.48Å; L408-L1102 HydrophobicContact CD2-CD1 4.26Å; T1034-L1102 HydrophobicContact CG2-CD2 4.3Å; T1035-L1102 WeakPolarHBondContact CB-O 3.33Å; T1035-L1102 PolarHBondContact OG1-O 2.78Å; T1100-L1102 HydrophobicContact CG2-CD2 4.29Å; T1100-L1102 HydrophobicContact CG2-CG 4.49Å; L1102-T1120 PolarHBondContact N-O 3.02Å; L1102-L1122 HydrophobicContact CD1-CB 3.92Å; L1102-L1122 HydrophobicContact CD1-CD1 3.57Å; L1102-L1122 HydrophobicContact CD1-CG 4.33Å
1103	S	97.8	Very high	93.2	Very high	7 Å²	7	26.8 Å²	26.8	5%	0.049	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.7	169.3	81.9	0	0	0	0	111.1	C410 V1101 Y1119 T1120	C410-S1103 WeakPolarHBondContact CB-OG 3.49Å; V1101-S1103 VanDerWaalsContact CG1-O 3.28Å; V1101-S1103 WeakPolarHBondContact CG1-O 3.47Å; S1103-Y1119 VanDerWaalsContact O-CA 3.28Å; S1103-Y1119 WeakPolarHBondContact O-CA 3.46Å; S1103-T1120 WeakPolarHBondContact CB-OG1 3.46Å; S1103-T1120 PolarHBondContact O-N 3.24Å; S1103-T1120 WeakPolarHBondContact OG-CB 3.45Å; S1103-T1120 WeakPolarHBondContact OG-CG2 3.4Å; S1103-T1120 PolarHBondContact OG-N 2.93Å; S1103-T1120 PolarHBondContact OG-OG1 3.46Å
1104	L	97.4	Very high	92.8	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.063	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	117.6	179.8	-165.7	70.3	0	0	0	109.3	T1035 S1037 A1045 I1053 L1117 V1118	T1035-L1104 HydrophobicContact CG2-CB 3.77Å; S1037-L1104 VanDerWaalsContact CB-O 3.29Å; S1037-L1104 WeakPolarHBondContact CB-O 3.32Å; S1037-L1104 PolarHBondContact OG-O 3.18Å; S1037-L1104 VanDerWaalsContact OG-O 3.08Å; A1045-L1104 HydrophobicContact CB-CD2 3.75Å; I1053-L1104 HydrophobicContact CD1-CD1 4.38Å; I1053-L1104 HydrophobicContact CG2-CD1 4.42Å; L1104-L1117 HydrophobicContact CD1-CD1 3.97Å; L1104-L1117 HydrophobicContact CD1-CD2 3.8Å; L1104-L1117 HydrophobicContact CD1-CG 3.63Å; L1104-L1117 HydrophobicContact CD2-CD1 4.33Å; L1104-L1117 HydrophobicContact CD2-CD2 4.2Å; L1104-L1117 HydrophobicContact CG-CD1 3.72Å; L1104-L1117 HydrophobicContact CG-CD2 4.13Å; L1104-L1117 HydrophobicContact CG-CG 3.96Å; L1104-V1118 WeakPolarHBondContact CA-O 3.42Å
1105	Q	97	Very high	92.5	Very high	47 Å²	47	33.9 Å²	33.9	22%	0.22	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	126.4	-174.8	-171.3	175.5	-16.5	0	0	111.5	I412 T1107 V1118	I412-Q1105 PolarHBondContact O-NE2 2.85Å; Q1105-T1107 PolarHBondContact O-N 3.05Å; Q1105-V1118 PolarHBondContact N-O 3.35Å; Q1105-V1118 PolarHBondContact O-N 2.95Å
1106	K	96.6	Very high	92.4	Very high	73 Å²	73	34.1 Å²	34.1	32%	0.317	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	115.5	164.9	-168.3	-173.3	76	151.9	0	108.9	S1037 L1039 E1115 S1116	S1037-K1106 PolarHBondContact OG-N 2.73Å; L1039-K1106 HydrophobicContact CD2-CB 4.16Å; L1039-K1106 HydrophobicContact CD2-CD 4.19Å; L1039-K1106 HydrophobicContact CD2-CG 4.36Å; K1106-E1115 VanDerWaalsContact CE-OE1 3.25Å; K1106-E1115 WeakPolarHBondContact CE-OE1 3.33Å; K1106-E1115 VanDerWaalsContact CE-OE2 3.29Å; K1106-E1115 WeakPolarHBondContact CE-OE2 3.32Å; K1106-E1115 HydrophobicContact CG-CB 4.34Å; K1106-E1115 VanDerWaalsContact NZ-CD 3.31Å; K1106-E1115 IonicContact NZ-OE1 3.09Å; K1106-E1115 PolarHBondContact NZ-OE1 2.79Å; K1106-E1115 VanDerWaalsContact NZ-OE1 3.13Å; K1106-E1115 IonicContact NZ-OE2 3.88Å; K1106-E1115 PolarHBondContact NZ-OE2 3.17Å; K1106-S1116 CarbonylContact C-O 3.52Å; K1106-S1116 WeakPolarHBondContact CA-O 3.46Å
1107	T	94.5	Very high	92.3	Very high	25 Å²	25	34.2 Å²	34.2	15%	0.153	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	171.4	-179.1	-165.6	0	0	0	0	111.8	I412 Q1105 L1109 S1116 V1118	I412-T1107 HydrophobicContact CB-CG2 4.13Å; I412-T1107 HydrophobicContact CD1-CG2 3.72Å; I412-T1107 HydrophobicContact CG1-CG2 4.47Å; I412-T1107 HydrophobicContact CG2-CG2 4.01Å; Q1105-T1107 PolarHBondContact O-N 3.05Å; T1107-L1109 HydrophobicContact CG2-CD2 4.41Å; T1107-S1116 PolarHBondContact N-O 2.65Å; T1107-S1116 PolarHBondContact O-N 3.48Å; T1107-S1116 VanDerWaalsContact O-O 3.08Å; T1107-S1116 PolarHBondContact O-OG 2.87Å; T1107-V1118 HydrophobicContact CG2-CB 4.46Å; T1107-V1118 HydrophobicContact CG2-CG2 3.79Å
1108	T	92.2	Very high	92.4	Very high	37 Å²	37	34.2 Å²	34.2	23%	0.227	22%	0.217	C	C	.	.			trans	-103	140.7	166.9	-49.4	0	0	0	0	108.9	P421 I1110 G1113	P421-T1108 WeakPolarHBondContact CG-O 3.35Å; T1108-I1110 WeakPolarHBondContact CG2-O 3.47Å; T1108-G1113 VanDerWaalsContact CG2-CA 3.49Å; T1108-G1113 VanDerWaalsContact CG2-O 3.22Å; T1108-G1113 WeakPolarHBondContact CG2-O 3.49Å
1109	L	89.2	Confident	92.6	Very high	19 Å²	19	33.4 Å²	33.4	10%	0.099	21%	0.208	C	C	.	.	S	Bend	trans	-98.8	-19.9	177.1	-67.7	179.5	0	0	0	113.8	L8 I412 P421 T1107 V1118 I1128	L8-L1109 HydrophobicContact CD1-CD1 3.49Å; L8-L1109 VanDerWaalsContact CD1-CD1 3.49Å; I412-L1109 HydrophobicContact CD1-CD2 4.21Å; I412-L1109 HydrophobicContact CG2-CD2 4.21Å; P421-L1109 WeakPolarHBondContact CD-O 3.36Å; T1107-L1109 HydrophobicContact CG2-CD2 4.41Å; L1109-V1118 HydrophobicContact CD1-CG2 4.04Å; L1109-V1118 HydrophobicContact CD2-CG2 4.09Å; L1109-V1118 HydrophobicContact CG-CG2 4.06Å; L1109-I1128 HydrophobicContact CD1-CD1 3.93Å
1110	I	83.3	Confident	92.7	Very high	28 Å²	28	32.7 Å²	32.7	14%	0.144	21%	0.205	C	C	.	.	S	Bend	trans	-121.8	147.5	179.4	63.1	177.2	0	0	0	111.1	T1108 G1112 G1113 T1213 R1214	T1108-I1110 WeakPolarHBondContact CG2-O 3.47Å; I1110-G1112 PolarHBondContact O-N 3.34Å; I1110-G1113 PolarHBondContact O-N 2.95Å; I1110-T1213 WeakPolarHBondContact CD1-O 3.36Å; I1110-R1214 WeakPolarHBondContact CD1-O 3.31Å
1111	P	77.2	Confident	92.7	Very high	84 Å²	84	31 Å²	31	55%	0.545	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	126.1	178.6	-14.5	25.7	0	0	0	110.5	D419 T420 G1113	D419-P1111 WeakPolarHBondContact O-CG 3.42Å; T420-P1111 HydrophobicContact CG2-CG 3.89Å; P1111-G1113 PolarHBondContact O-N 3.39Å
1112	G	79.1	Confident	92.7	Very high	90 Å²	90	34.3 Å²	34.3	93%	0.928	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	4.8	-177.8	0	0	0	0	0	115.4	I1110	I1110-G1112 PolarHBondContact O-N 3.34Å
1113	G	82.7	Confident	92.6	Very high	20 Å²	20	34.2 Å²	34.2	21%	0.206	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-68.3	168.8	173.8	0	0	0	0	0	113.3	T1108 I1110 P1111	T1108-G1113 VanDerWaalsContact CG2-CA 3.49Å; T1108-G1113 VanDerWaalsContact CG2-O 3.22Å; T1108-G1113 WeakPolarHBondContact CG2-O 3.49Å; I1110-G1113 PolarHBondContact O-N 2.95Å; P1111-G1113 PolarHBondContact O-N 3.39Å
1114	S	88.3	Confident	92.6	Very high	53 Å²	53	33.9 Å²	33.9	37%	0.371	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-80.1	147.5	173.2	-65.9	0	0	0	0	111.6	Y1215	S1114-Y1215 VanDerWaalsContact CB-CE1 3.47Å
1115	E	92.1	Very high	92.5	Very high	101 Å²	101	33.5 Å²	33.5	47%	0.472	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-60.9	142.3	173.9	-65.4	-174.7	136.5	0	0	110.9	K1106	K1106-E1115 VanDerWaalsContact CE-OE1 3.25Å; K1106-E1115 WeakPolarHBondContact CE-OE1 3.33Å; K1106-E1115 VanDerWaalsContact CE-OE2 3.29Å; K1106-E1115 WeakPolarHBondContact CE-OE2 3.32Å; K1106-E1115 HydrophobicContact CG-CB 4.34Å; K1106-E1115 VanDerWaalsContact NZ-CD 3.31Å; K1106-E1115 IonicContact NZ-OE1 3.09Å; K1106-E1115 PolarHBondContact NZ-OE1 2.79Å; K1106-E1115 VanDerWaalsContact NZ-OE1 3.13Å; K1106-E1115 IonicContact NZ-OE2 3.88Å; K1106-E1115 PolarHBondContact NZ-OE2 3.17Å
1116	S	94.9	Very high	92.5	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.028	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	167.4	178.4	64	0	0	0	0	109.6	K1106 T1107 I1128	K1106-S1116 CarbonylContact C-O 3.52Å; K1106-S1116 WeakPolarHBondContact CA-O 3.46Å; T1107-S1116 PolarHBondContact N-O 2.65Å; T1107-S1116 PolarHBondContact O-N 3.48Å; T1107-S1116 VanDerWaalsContact O-O 3.08Å; T1107-S1116 PolarHBondContact O-OG 2.87Å; S1116-I1128 VanDerWaalsContact CB-CD1 3.41Å; S1116-I1128 WeakPolarHBondContact OG-CD1 3.49Å; S1116-I1128 WeakPolarHBondContact OG-CG1 3.44Å
1117	L	97	Very high	92.5	Very high	10 Å²	10	27.9 Å²	27.9	5%	0.052	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	107.3	176.8	-173.2	68.2	0	0	0	109	L1039 A1045 L1104 I1128 L1129	L1039-L1117 HydrophobicContact CD2-CD1 4.08Å; A1045-L1117 HydrophobicContact CB-CD1 4.28Å; A1045-L1117 HydrophobicContact CB-CD2 3.57Å; L1104-L1117 HydrophobicContact CD1-CD1 3.97Å; L1104-L1117 HydrophobicContact CD1-CD2 3.8Å; L1104-L1117 HydrophobicContact CD1-CG 3.63Å; L1104-L1117 HydrophobicContact CD2-CD1 4.33Å; L1104-L1117 HydrophobicContact CD2-CD2 4.2Å; L1104-L1117 HydrophobicContact CG-CD1 3.72Å; L1104-L1117 HydrophobicContact CG-CD2 4.13Å; L1104-L1117 HydrophobicContact CG-CG 3.96Å; L1117-I1128 CarbonylContact O-C 3.45Å; L1117-I1128 WeakPolarHBondContact O-CA 3.27Å; L1117-L1129 HydrophobicContact CB-CB 4.17Å; L1117-L1129 HydrophobicContact CD2-CD1 4.08Å; L1117-L1129 PolarHBondContact N-O 3.03Å; L1117-L1129 PolarHBondContact O-N 3.16Å
1118	V	97.7	Very high	92.7	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	138.5	179.4	-173.2	0	0	0	0	109.1	I412 L1104 Q1105 T1107 L1109 I1126 G1127 I1128	I412-V1118 HydrophobicContact CD1-CB 3.61Å; I412-V1118 HydrophobicContact CD1-CG1 3.53Å; I412-V1118 HydrophobicContact CD1-CG2 3.96Å; L1104-V1118 WeakPolarHBondContact CA-O 3.42Å; Q1105-V1118 PolarHBondContact N-O 3.35Å; Q1105-V1118 PolarHBondContact O-N 2.95Å; T1107-V1118 HydrophobicContact CG2-CB 4.46Å; T1107-V1118 HydrophobicContact CG2-CG2 3.79Å; L1109-V1118 HydrophobicContact CD1-CG2 4.04Å; L1109-V1118 HydrophobicContact CD2-CG2 4.09Å; L1109-V1118 HydrophobicContact CG-CG2 4.06Å; V1118-I1126 HydrophobicContact CG1-CG2 4.25Å; V1118-G1127 WeakPolarHBondContact CA-O 3.26Å; V1118-I1128 HydrophobicContact CG2-CD1 4.42Å; V1118-I1128 HydrophobicContact CG2-CG1 4.32Å
1119	Y	98.4	Very high	92.9	Very high	3 Å²	3	25 Å²	25	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.4	178.8	68	-97.6	0	0	0	111.6	N5 I1053 V1097 V1101 S1103 T1121 I1126 G1127 L1129	N5-Y1119 PolarHBondContact OD1-OH 3.07Å; N5-Y1119 VanDerWaalsContact OD1-OH 3.06Å; I1053-Y1119 HydrophobicContact CD1-CD1 3.55Å; I1053-Y1119 HydrophobicContact CD1-CD2 4.26Å; I1053-Y1119 HydrophobicContact CD1-CE1 4Å; I1053-Y1119 HydrophobicContact CD1-CG 3.7Å; V1097-Y1119 HydrophobicContact CG1-CE2 3.77Å; V1097-Y1119 HydrophobicContact CG2-CE2 4.22Å; V1101-Y1119 HydrophobicContact CG2-CD2 4.11Å; S1103-Y1119 VanDerWaalsContact O-CA 3.28Å; S1103-Y1119 WeakPolarHBondContact O-CA 3.46Å; Y1119-T1121 HydrophobicContact CD2-CG2 4.02Å; Y1119-T1121 HydrophobicContact CE2-CG2 3.96Å; Y1119-I1126 WeakPolarHBondContact O-CA 3.16Å; Y1119-G1127 WeakPolarHBondContact CD1-O 3.41Å; Y1119-G1127 VanDerWaalsContact CE1-C 3.43Å; Y1119-G1127 VanDerWaalsContact CZ-CA 3.48Å; Y1119-G1127 PolarHBondContact N-O 3.12Å; Y1119-G1127 PolarHBondContact O-N 3.29Å; Y1119-L1129 HydrophobicContact CE1-CG 4.4Å
1120	T	98.3	Very high	93.2	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.6	169.5	71.4	0	0	0	0	111.3	I407 C410 V1101 L1102 S1103 G1125 I1126	I407-T1120 HydrophobicContact CD1-CG2 4.4Å; I407-T1120 VanDerWaalsContact CG2-OG1 3.31Å; I407-T1120 WeakPolarHBondContact CG2-OG1 3.28Å; C410-T1120 HydrophobicContact CB-CG2 3.74Å; V1101-T1120 WeakPolarHBondContact CA-O 3Å; L1102-T1120 PolarHBondContact N-O 3.02Å; S1103-T1120 WeakPolarHBondContact CB-OG1 3.46Å; S1103-T1120 PolarHBondContact O-N 3.24Å; S1103-T1120 WeakPolarHBondContact OG-CB 3.45Å; S1103-T1120 WeakPolarHBondContact OG-CG2 3.4Å; S1103-T1120 PolarHBondContact OG-N 2.93Å; S1103-T1120 PolarHBondContact OG-OG1 3.46Å; T1120-G1125 CarbonylContact C-O 3.56Å; T1120-G1125 VanDerWaalsContact CA-O 3.26Å; T1120-G1125 WeakPolarHBondContact CA-O 3.45Å; T1120-I1126 HydrophobicContact CG2-CG1 4.21Å; T1120-I1126 HydrophobicContact CG2-CG2 4.46Å
1121	T	98.1	Very high	93.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	155.9	-175.2	75.3	0	0	0	0	112.3	I407 V1097 E1099 T1100 V1101 Y1119 S1123 G1124 G1125	I407-T1121 WeakPolarHBondContact CB-O 3.42Å; V1097-T1121 HydrophobicContact CG1-CG2 4.17Å; E1099-T1121 HydrophobicContact CB-CG2 3.94Å; E1099-T1121 VanDerWaalsContact OE2-CB 3.24Å; E1099-T1121 WeakPolarHBondContact OE2-CB 3.23Å; E1099-T1121 WeakPolarHBondContact OE2-CG2 3.48Å; E1099-T1121 PolarHBondContact OE2-OG1 2.8Å; T1100-T1121 CarbonylContact O-C 3.59Å; T1100-T1121 VanDerWaalsContact O-CA 3.25Å; T1100-T1121 WeakPolarHBondContact O-CA 3.27Å; V1101-T1121 HydrophobicContact CG2-CG2 4.32Å; Y1119-T1121 HydrophobicContact CD2-CG2 4.02Å; Y1119-T1121 HydrophobicContact CE2-CG2 3.96Å; T1121-S1123 PolarHBondContact O-N 3.1Å; T1121-S1123 PolarHBondContact OG1-N 2.86Å; T1121-G1124 PolarHBondContact O-N 2.79Å; T1121-G1125 PolarHBondContact N-O 3.04Å; T1121-G1125 WeakPolarHBondContact OG1-CA 3.49Å; T1121-G1125 PolarHBondContact OG1-N 2.8Å
1122	L	97.2	Very high	94.6	Very high	68 Å²	68	22.4 Å²	22.4	36%	0.356	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.2	173.5	-178.2	70	0	0	0	111.6	S405 P406 L408 T1100 L1102 G1124	S405-L1122 PolarHBondContact OG-O 3.36Å; P406-L1122 WeakPolarHBondContact CA-O 3.39Å; P406-L1122 HydrophobicContact CB-CD1 3.49Å; P406-L1122 VanDerWaalsContact CB-CD1 3.49Å; P406-L1122 HydrophobicContact CB-CG 4.34Å; L408-L1122 HydrophobicContact CD2-CD1 4.48Å; T1100-L1122 PolarHBondContact O-N 3.36Å; L1102-L1122 HydrophobicContact CD1-CB 3.92Å; L1102-L1122 HydrophobicContact CD1-CD1 3.57Å; L1102-L1122 HydrophobicContact CD1-CG 4.33Å; L1122-G1124 PolarHBondContact O-N 2.63Å
1123	S	96.6	Very high	95	Very high	34 Å²	34	22.8 Å²	22.8	24%	0.238	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	6.1	-179.2	-56.7	0	0	0	0	114	A11 T12 G13 T1121	A11-S1123 CarbonylContact C-O 3.55Å; A11-S1123 WeakPolarHBondContact CA-O 3.39Å; T12-S1123 PolarHBondContact N-O 2.79Å; G13-S1123 PolarHBondContact N-O 2.95Å; T1121-S1123 PolarHBondContact O-N 3.1Å; T1121-S1123 PolarHBondContact OG1-N 2.86Å
1124	G	96.5	Very high	95.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	89.5	12.3	179.4	0	0	0	0	0	115	T1121 L1122	T1121-G1124 PolarHBondContact O-N 2.79Å; L1122-G1124 PolarHBondContact O-N 2.63Å
1125	G	96.3	Very high	95.7	Very high	4 Å²	4	27.9 Å²	27.9	4%	0.041	15%	0.152	C	C	.	.			trans	-84.1	150	177.6	0	0	0	0	0	112.6	Q9 T1120 T1121	Q9-G1125 CarbonylContact O-C 3.56Å; Q9-G1125 WeakPolarHBondContact O-CA 2.85Å; T1120-G1125 CarbonylContact C-O 3.56Å; T1120-G1125 VanDerWaalsContact CA-O 3.26Å; T1120-G1125 WeakPolarHBondContact CA-O 3.45Å; T1121-G1125 PolarHBondContact N-O 3.04Å; T1121-G1125 WeakPolarHBondContact OG1-CA 3.49Å; T1121-G1125 PolarHBondContact OG1-N 2.8Å
1126	I	97.1	Very high	95.8	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.1	174.9	-51.1	178.3	0	0	0	107.7	L8 Q9 L404 L423 L438 F774 V1118 Y1119 T1120	L8-I1126 PolarHBondContact N-O 2.97Å; Q9-I1126 HydrophobicContact CB-CB 4Å; Q9-I1126 HydrophobicContact CB-CD1 4.16Å; Q9-I1126 HydrophobicContact CB-CG1 4.09Å; Q9-I1126 PolarHBondContact N-O 2.8Å; Q9-I1126 PolarHBondContact O-N 3.18Å; L404-I1126 HydrophobicContact CD1-CD1 4.05Å; L423-I1126 HydrophobicContact CD2-CD1 3.85Å; L423-I1126 HydrophobicContact CD2-CG2 3.87Å; L438-I1126 HydrophobicContact CD1-CD1 3.38Å; F774-I1126 HydrophobicContact CE2-CD1 4.31Å; V1118-I1126 HydrophobicContact CG1-CG2 4.25Å; Y1119-I1126 WeakPolarHBondContact O-CA 3.16Å; T1120-I1126 HydrophobicContact CG2-CG1 4.21Å; T1120-I1126 HydrophobicContact CG2-CG2 4.46Å
1127	G	96.8	Very high	95.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	169.8	177.5	0	0	0	0	0	112.9	L6 V1118 Y1119	L6-G1127 CarbonylContact O-C 3.3Å; L6-G1127 VanDerWaalsContact O-CA 3.24Å; L6-G1127 WeakPolarHBondContact O-CA 3.39Å; V1118-G1127 WeakPolarHBondContact CA-O 3.26Å; Y1119-G1127 WeakPolarHBondContact CD1-O 3.41Å; Y1119-G1127 VanDerWaalsContact CE1-C 3.43Å; Y1119-G1127 VanDerWaalsContact CZ-CA 3.48Å; Y1119-G1127 PolarHBondContact N-O 3.12Å; Y1119-G1127 PolarHBondContact O-N 3.29Å
1128	I	96.9	Very high	95.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.2	-176.1	-173.1	169.8	0	0	0	109.6	N5 L6 L8 L1109 S1116 L1117 V1118 V1130	N5-I1128 WeakPolarHBondContact CA-O 3.17Å; L6-I1128 HydrophobicContact CB-CG2 3.8Å; L6-I1128 HydrophobicContact CD2-CG2 4.43Å; L6-I1128 HydrophobicContact CG-CG2 4.46Å; L6-I1128 PolarHBondContact N-O 3.42Å; L6-I1128 WeakPolarHBondContact O-CG2 3.19Å; L6-I1128 PolarHBondContact O-N 2.83Å; L8-I1128 HydrophobicContact CD1-CB 4.26Å; L8-I1128 HydrophobicContact CD1-CG2 4.29Å; L8-I1128 HydrophobicContact CD2-CG2 3.92Å; L8-I1128 HydrophobicContact CG-CB 4.44Å; L8-I1128 HydrophobicContact CG-CG2 4.04Å; L1109-I1128 HydrophobicContact CD1-CD1 3.93Å; S1116-I1128 VanDerWaalsContact CB-CD1 3.41Å; S1116-I1128 WeakPolarHBondContact OG-CD1 3.49Å; S1116-I1128 WeakPolarHBondContact OG-CG1 3.44Å; L1117-I1128 CarbonylContact O-C 3.45Å; L1117-I1128 WeakPolarHBondContact O-CA 3.27Å; V1118-I1128 HydrophobicContact CG2-CD1 4.42Å; V1118-I1128 HydrophobicContact CG2-CG1 4.32Å; I1128-V1130 HydrophobicContact CD1-CG2 3.97Å; I1128-V1130 HydrophobicContact CG1-CG2 3.88Å; I1128-V1130 HydrophobicContact CG2-CG2 4.22Å
1129	L	97.7	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	111.5	168.3	-71.2	163	0	0	0	108.3	L3 Y4 N5 I1053 M1093 L1117 Y1119 V1173	L3-L1129 HydrophobicContact CB-CB 4.5Å; L3-L1129 HydrophobicContact CB-CD2 4.3Å; L3-L1129 HydrophobicContact CD1-CB 4.01Å; L3-L1129 HydrophobicContact CD1-CD1 4.38Å; L3-L1129 HydrophobicContact CD1-CD2 4.4Å; Y4-L1129 WeakPolarHBondContact O-CA 3.49Å; N5-L1129 HydrophobicContact CB-CD2 3.75Å; I1053-L1129 HydrophobicContact CB-CD1 4.39Å; I1053-L1129 HydrophobicContact CD1-CD1 3.96Å; I1053-L1129 HydrophobicContact CG2-CD1 3.86Å; M1093-L1129 HydrophobicContact CE-CD1 3.83Å; L1117-L1129 HydrophobicContact CB-CB 4.17Å; L1117-L1129 HydrophobicContact CD2-CD1 4.08Å; L1117-L1129 PolarHBondContact N-O 3.03Å; L1117-L1129 PolarHBondContact O-N 3.16Å; Y1119-L1129 HydrophobicContact CE1-CG 4.4Å; L1129-V1173 HydrophobicContact CD2-CG1 3.91Å
1130	V	95.5	Very high	95.6	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.9	-172.8	166.8	0	0	0	0	110.1	L3 Y4 I1128 I1211 Y1215	L3-V1130 CarbonylContact C-O 3.6Å; L3-V1130 WeakPolarHBondContact CA-O 3.37Å; Y4-V1130 PolarHBondContact N-O 3.42Å; Y4-V1130 PolarHBondContact O-N 2.97Å; I1128-V1130 HydrophobicContact CD1-CG2 3.97Å; I1128-V1130 HydrophobicContact CG1-CG2 3.88Å; I1128-V1130 HydrophobicContact CG2-CG2 4.22Å; V1130-I1211 HydrophobicContact CG1-CG1 4.44Å; V1130-Y1215 HydrophobicContact CB-CD1 4.34Å; V1130-Y1215 HydrophobicContact CB-CD2 4.42Å; V1130-Y1215 HydrophobicContact CB-CG 4.25Å; V1130-Y1215 HydrophobicContact CG1-CD1 3.6Å; V1130-Y1215 HydrophobicContact CG1-CD2 3.39Å; V1130-Y1215 HydrophobicContact CG1-CE1 3.47Å; V1130-Y1215 VanDerWaalsContact CG1-CE1 3.47Å; V1130-Y1215 HydrophobicContact CG1-CE2 3.29Å; V1130-Y1215 HydrophobicContact CG1-CG 3.54Å; V1130-Y1215 HydrophobicContact CG2-CD1 4.04Å; V1130-Y1215 HydrophobicContact CG2-CD2 4.17Å; V1130-Y1215 HydrophobicContact CG2-CG 3.71Å
1131	P	95.1	Very high	95.5	Very high	40 Å²	40	33.8 Å²	33.8	26%	0.26	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	129.6	175.1	29.6	-33	0	0	0	111.8	L3 T1133 Y1215	L3-P1131 HydrophobicContact CD2-CB 3.95Å; P1131-T1133 PolarHBondContact O-N 2.84Å; P1131-Y1215 PolarHBondContact O-OH 3.24Å
1132	F	94.6	Very high	95.5	Very high	34 Å²	34	38 Å²	38	15%	0.149	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-65.2	130.5	170	-77.5	-72.4	0	0	0	111	F2 Y4 D1137 H1138 F1141 I1174 I1211	F2-F1132 HydrophobicContact CB-CD2 3.86Å; F2-F1132 PolarHBondContact O-N 3.24Å; Y4-F1132 AromaticContact CD2-CZ 3.9Å; Y4-F1132 HydrophobicContact CD2-CZ 3.9Å; Y4-F1132 HydrophobicContact CG-CZ 4.21Å; F1132-D1137 HydrophobicContact CD1-CB 4.03Å; F1132-D1137 HydrophobicContact CE1-CB 4.23Å; F1132-H1138 HydrophobicContact CB-CB 4.18Å; F1132-H1138 HydrophobicContact CD1-CB 4.09Å; F1132-H1138 HydrophobicContact CD2-CB 4.11Å; F1132-H1138 AromaticContact CD2-CD2 3.95Å; F1132-H1138 HydrophobicContact CG-CB 3.85Å; F1132-F1141 HydrophobicContact CE1-CB 4.42Å; F1132-F1141 AromaticContact CE1-CD2 3.58Å; F1132-F1141 HydrophobicContact CE1-CD2 3.58Å; F1132-F1141 HydrophobicContact CE1-CE2 4.26Å; F1132-F1141 HydrophobicContact CE1-CG 4.35Å; F1132-F1141 HydrophobicContact CZ-CB 4.04Å; F1132-F1141 AromaticContact CZ-CD2 3.98Å; F1132-F1141 HydrophobicContact CZ-CD2 3.98Å; F1132-F1141 HydrophobicContact CZ-CG 4.31Å; F1132-I1174 HydrophobicContact CE2-CB 4.45Å; F1132-I1174 HydrophobicContact CE2-CD1 3.66Å; F1132-I1174 HydrophobicContact CE2-CG1 4.28Å; F1132-I1174 HydrophobicContact CZ-CD1 3.76Å; F1132-I1211 HydrophobicContact CE1-CD1 3.97Å; F1132-I1211 HydrophobicContact CZ-CD1 4.42Å
1133	T	87.7	Confident	95.5	Very high	98 Å²	98	38.1 Å²	38.1	60%	0.601	20%	0.199	S	C	*	.	S	Bend	trans	-96.5	-24.1	177.4	47.2	0	0	0	0	112.7	P1131	P1131-T1133 PolarHBondContact O-N 2.84Å
1134	S	91.9	Very high	95.5	Very high	39 Å²	39	36.5 Å²	36.5	27%	0.273	19%	0.188	S	C	.	.			trans	-123.1	143.1	177.6	83.3	0	0	0	0	111	E1136 D1137 H1138	S1134-E1136 VanDerWaalsContact C-N 3.28Å; S1134-D1137 VanDerWaalsContact OG-CB 3.24Å; S1134-D1137 WeakPolarHBondContact OG-CB 3.25Å; S1134-D1137 PolarHBondContact OG-N 2.93Å; S1134-D1137 PolarHBondContact OG-OD2 2.84Å; S1134-H1138 PolarHBondContact O-N 2.93Å
1135	H	94.5	Very high	95.5	Very high	142 Å²	142	37.4 Å²	37.4	66%	0.657	19%	0.192	S	C	*	.	H	α-helix	trans	-67.1	-33.2	173.5	-176	-75.4	0	0	0	111.4	H1138 D1139	H1135-H1138 PolarHBondContact O-N 3.4Å; H1135-D1139 WeakPolarHBondContact O-CB 3.29Å; H1135-D1139 PolarHBondContact O-N 2.86Å
1136	E	94.4	Very high	95.5	Very high	121 Å²	121	41 Å²	41	57%	0.565	21%	0.209	S	C	*	.	H	α-helix	trans	-62	-45.4	177.6	-173.2	-172.8	161.3	0	0	111.8	S1134 D1139 F1140	S1134-E1136 VanDerWaalsContact C-N 3.28Å; E1136-D1139 PolarHBondContact O-N 2.89Å; E1136-F1140 WeakPolarHBondContact O-CB 3.37Å; E1136-F1140 PolarHBondContact O-N 3.01Å
1137	D	93.3	Very high	95.5	Very high	24 Å²	24	42.3 Å²	42.3	13%	0.128	22%	0.215	C	C	.	.	H	α-helix	trans	-65.5	-43.3	177.1	-68	-39.1	0	0	0	110.8	F1132 S1134 D1139 F1140 F1141 K1207	F1132-D1137 HydrophobicContact CD1-CB 4.03Å; F1132-D1137 HydrophobicContact CE1-CB 4.23Å; S1134-D1137 VanDerWaalsContact OG-CB 3.24Å; S1134-D1137 WeakPolarHBondContact OG-CB 3.25Å; S1134-D1137 PolarHBondContact OG-N 2.93Å; S1134-D1137 PolarHBondContact OG-OD2 2.84Å; D1137-D1139 PolarHBondContact O-N 2.79Å; D1137-F1140 PolarHBondContact O-N 2.76Å; D1137-F1141 HydrophobicContact CB-CD2 4.47Å; D1137-F1141 HydrophobicContact CB-CE2 4.5Å; D1137-F1141 WeakPolarHBondContact O-CD2 3.44Å; D1137-F1141 PolarHBondContact O-N 3.38Å; D1137-K1207 IonicContact OD1-NZ 3.64Å; D1137-K1207 PolarHBondContact OD1-NZ 3.25Å
1138	H	95.9	Very high	95.4	Very high	11 Å²	11	42.3 Å²	42.3	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-56.2	-50.5	175.8	167.8	-97.6	0	0	0	111.7	F2 F1132 S1134 H1135 F1140 F1141 Q1142 I1174	F2-H1138 VanDerWaalsContact CB-CD2 3.47Å; F2-H1138 WeakPolarHBondContact CB-CD2 3.18Å; F2-H1138 AromaticContact CD1-CD2 3.74Å; F2-H1138 AromaticContact CD1-CE1 3.85Å; F2-H1138 AromaticContact CD1-NE2 3.17Å; F2-H1138 WeakPolarHBondContact CD1-NE2 3.27Å; F2-H1138 AromaticContact CE1-CE1 3.88Å; F2-H1138 AromaticContact CE1-NE2 3.62Å; F2-H1138 AromaticContact CG-CD2 3.53Å; F2-H1138 AromaticContact CG-NE2 3.47Å; F2-H1138 WeakPolarHBondContact CG-NE2 3.48Å; F1132-H1138 HydrophobicContact CB-CB 4.18Å; F1132-H1138 HydrophobicContact CD1-CB 4.09Å; F1132-H1138 HydrophobicContact CD2-CB 4.11Å; F1132-H1138 AromaticContact CD2-CD2 3.95Å; F1132-H1138 HydrophobicContact CG-CB 3.85Å; S1134-H1138 PolarHBondContact O-N 2.93Å; H1135-H1138 PolarHBondContact O-N 3.4Å; H1138-F1140 PolarHBondContact O-N 2.59Å; H1138-F1141 PolarHBondContact O-N 2.83Å; H1138-Q1142 PolarHBondContact CE1-OE1 2.84Å; H1138-Q1142 VanDerWaalsContact O-CB 3.3Å; H1138-Q1142 WeakPolarHBondContact O-CB 3.43Å; H1138-Q1142 PolarHBondContact O-N 3.37Å; H1138-I1174 WeakPolarHBondContact O-CD1 3.33Å
1139	D	96.5	Very high	95.3	Very high	67 Å²	67	45.7 Å²	45.7	36%	0.358	23%	0.228	S	C	.	.	H	α-helix	trans	-60.7	-45.5	179.5	-168.5	56.3	0	0	0	111.2	H1135 E1136 D1137 F1141 Q1142 H1143	H1135-D1139 WeakPolarHBondContact O-CB 3.29Å; H1135-D1139 PolarHBondContact O-N 2.86Å; E1136-D1139 PolarHBondContact O-N 2.89Å; D1137-D1139 PolarHBondContact O-N 2.79Å; D1139-F1141 PolarHBondContact O-N 3.21Å; D1139-Q1142 PolarHBondContact O-N 3.02Å; D1139-H1143 PolarHBondContact O-N 2.92Å; D1139-H1143 VanDerWaalsContact O-N 3.11Å; D1139-H1143 PolarHBondContact O-ND1 3.39Å; D1139-H1143 IonicContact OD1-CE1 3.65Å; D1139-H1143 PolarHBondContact OD1-CE1 2.85Å; D1139-H1143 IonicContact OD1-ND1 2.82Å; D1139-H1143 IonicContact OD2-CE1 2.85Å; D1139-H1143 IonicContact OD2-ND1 2.84Å
1140	F	96.5	Very high	95	Very high	19 Å²	19	50 Å²	50	8%	0.083	26%	0.258	C	S	.	.	H	α-helix	trans	-56.4	-53.7	175.8	169.2	-98.1	0	0	0	112.4	E1136 D1137 H1138 Q1142 H1143 V1144 L1197 R1199 V1204 K1207	E1136-F1140 WeakPolarHBondContact O-CB 3.37Å; E1136-F1140 PolarHBondContact O-N 3.01Å; D1137-F1140 PolarHBondContact O-N 2.76Å; H1138-F1140 PolarHBondContact O-N 2.59Å; F1140-Q1142 VanDerWaalsContact C-N 3.27Å; F1140-Q1142 PolarHBondContact O-N 2.82Å; F1140-H1143 PolarHBondContact O-N 3.36Å; F1140-V1144 HydrophobicContact CD1-CG2 4.35Å; F1140-V1144 HydrophobicContact CD2-CG2 4.48Å; F1140-V1144 HydrophobicContact CE1-CG2 3.86Å; F1140-V1144 HydrophobicContact CE2-CG2 4.03Å; F1140-V1144 HydrophobicContact CZ-CG2 3.69Å; F1140-V1144 WeakPolarHBondContact O-CG2 3.46Å; F1140-V1144 PolarHBondContact O-N 3.49Å; F1140-L1197 HydrophobicContact CE2-CD1 4.24Å; F1140-R1199 HydrophobicContact CE2-CG 4.45Å; F1140-V1204 HydrophobicContact CE2-CG2 4.42Å; F1140-V1204 HydrophobicContact CZ-CB 4.42Å; F1140-V1204 HydrophobicContact CZ-CG1 4.14Å; F1140-V1204 HydrophobicContact CZ-CG2 4.35Å; F1140-K1207 HydrophobicContact CD1-CB 4.1Å; F1140-K1207 HydrophobicContact CD1-CG 4.23Å; F1140-K1207 HydrophobicContact CE1-CB 3.34Å; F1140-K1207 HydrophobicContact CE1-CG 3.77Å; F1140-K1207 HydrophobicContact CZ-CB 3.79Å; F1140-K1207 HydrophobicContact CZ-CG 3.97Å
1141	F	97.3	Very high	94.8	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.009	27%	0.273	C	S	.	.	H	α-helix	trans	-68.8	-27.8	-177.9	-75.9	-71.2	0	0	0	112.6	Y4 F1132 D1137 H1138 D1139 H1143 V1144 E1145 I1174 K1207 L1208 I1211	Y4-F1141 HydrophobicContact CD2-CD1 4.47Å; Y4-F1141 HydrophobicContact CD2-CG 4.38Å; Y4-F1141 HydrophobicContact CE2-CB 4.47Å; Y4-F1141 AromaticContact CE2-CD1 3.79Å; Y4-F1141 HydrophobicContact CE2-CD1 3.79Å; Y4-F1141 HydrophobicContact CE2-CE1 4.19Å; Y4-F1141 HydrophobicContact CE2-CG 4.13Å; F1132-F1141 HydrophobicContact CE1-CB 4.42Å; F1132-F1141 AromaticContact CE1-CD2 3.58Å; F1132-F1141 HydrophobicContact CE1-CD2 3.58Å; F1132-F1141 HydrophobicContact CE1-CE2 4.26Å; F1132-F1141 HydrophobicContact CE1-CG 4.35Å; F1132-F1141 HydrophobicContact CZ-CB 4.04Å; F1132-F1141 AromaticContact CZ-CD2 3.98Å; F1132-F1141 HydrophobicContact CZ-CD2 3.98Å; F1132-F1141 HydrophobicContact CZ-CG 4.31Å; D1137-F1141 HydrophobicContact CB-CD2 4.47Å; D1137-F1141 HydrophobicContact CB-CE2 4.5Å; D1137-F1141 WeakPolarHBondContact O-CD2 3.44Å; D1137-F1141 PolarHBondContact O-N 3.38Å; H1138-F1141 PolarHBondContact O-N 2.83Å; D1139-F1141 PolarHBondContact O-N 3.21Å; F1141-H1143 VanDerWaalsContact C-N 3.35Å; F1141-V1144 PolarHBondContact O-N 2.92Å; F1141-E1145 WeakPolarHBondContact O-CB 3.08Å; F1141-E1145 PolarHBondContact O-N 3.44Å; F1141-I1174 HydrophobicContact CB-CD1 3.83Å; F1141-I1174 HydrophobicContact CB-CG2 4.2Å; F1141-K1207 HydrophobicContact CZ-CB 4.02Å; F1141-K1207 WeakPolarHBondContact CZ-O 3.48Å; F1141-L1208 HydrophobicContact CD1-CD2 4.36Å; F1141-L1208 HydrophobicContact CE1-CD2 3.72Å; F1141-L1208 HydrophobicContact CE1-CG 4.26Å; F1141-I1211 HydrophobicContact CD2-CD1 4.3Å; F1141-I1211 HydrophobicContact CE1-CG2 4.22Å; F1141-I1211 HydrophobicContact CE2-CB 4.32Å; F1141-I1211 HydrophobicContact CE2-CD1 3.8Å; F1141-I1211 HydrophobicContact CE2-CG2 4.35Å; F1141-I1211 HydrophobicContact CZ-CB 4.04Å; F1141-I1211 HydrophobicContact CZ-CD1 4.16Å; F1141-I1211 HydrophobicContact CZ-CG2 3.66Å
1142	Q	96.9	Very high	94.6	Very high	90 Å²	90	54 Å²	54	42%	0.421	27%	0.273	S	S	.	.	H	α-helix	trans	-65.6	-41.3	175.1	-175.9	171.3	29.9	0	0	110.9	H1138 D1139 F1140 M1146 I1174	H1138-Q1142 PolarHBondContact CE1-OE1 2.84Å; H1138-Q1142 VanDerWaalsContact O-CB 3.3Å; H1138-Q1142 WeakPolarHBondContact O-CB 3.43Å; H1138-Q1142 PolarHBondContact O-N 3.37Å; D1139-Q1142 PolarHBondContact O-N 3.02Å; F1140-Q1142 VanDerWaalsContact C-N 3.27Å; F1140-Q1142 PolarHBondContact O-N 2.82Å; Q1142-M1146 WeakPolarHBondContact O-CB 3.29Å; Q1142-M1146 PolarHBondContact O-N 3.23Å; Q1142-I1174 HydrophobicContact CB-CD1 3.94Å
1143	H	97.2	Very high	94.5	Very high	70 Å²	70	55.8 Å²	55.8	32%	0.324	29%	0.288	S	S	.	.	H	α-helix	trans	-68.5	-41.2	174.4	-69.5	93	0	0	0	111.5	D1139 F1140 F1141 E1145 M1146 H1147 L1197	D1139-H1143 PolarHBondContact O-N 2.92Å; D1139-H1143 VanDerWaalsContact O-N 3.11Å; D1139-H1143 PolarHBondContact O-ND1 3.39Å; D1139-H1143 IonicContact OD1-CE1 3.65Å; D1139-H1143 PolarHBondContact OD1-CE1 2.85Å; D1139-H1143 IonicContact OD1-ND1 2.82Å; D1139-H1143 IonicContact OD2-CE1 2.85Å; D1139-H1143 IonicContact OD2-ND1 2.84Å; F1140-H1143 PolarHBondContact O-N 3.36Å; F1141-H1143 VanDerWaalsContact C-N 3.35Å; H1143-E1145 PolarHBondContact O-N 3.27Å; H1143-M1146 WeakPolarHBondContact O-CB 3.35Å; H1143-M1146 PolarHBondContact O-N 2.52Å; H1143-H1147 PolarHBondContact O-CD2 2.91Å; H1143-H1147 PolarHBondContact O-N 3.09Å; H1143-L1197 HydrophobicContact CB-CD2 3.43Å; H1143-L1197 VanDerWaalsContact CB-CD2 3.43Å
1144	V	97.3	Very high	94.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56	-50.2	174.1	173	0	0	0	0	111.2	F1140 F1141 M1146 H1147 L1148 C1179 L1197 V1204	F1140-V1144 HydrophobicContact CD1-CG2 4.35Å; F1140-V1144 HydrophobicContact CD2-CG2 4.48Å; F1140-V1144 HydrophobicContact CE1-CG2 3.86Å; F1140-V1144 HydrophobicContact CE2-CG2 4.03Å; F1140-V1144 HydrophobicContact CZ-CG2 3.69Å; F1140-V1144 WeakPolarHBondContact O-CG2 3.46Å; F1140-V1144 PolarHBondContact O-N 3.49Å; F1141-V1144 PolarHBondContact O-N 2.92Å; V1144-M1146 VanDerWaalsContact C-N 3.32Å; V1144-M1146 PolarHBondContact O-N 3.03Å; V1144-H1147 PolarHBondContact O-N 3.37Å; V1144-L1148 HydrophobicContact CG1-CD1 3.6Å; V1144-L1148 HydrophobicContact CG1-CG 4.4Å; V1144-L1148 WeakPolarHBondContact O-CB 3.38Å; V1144-L1148 WeakPolarHBondContact O-CG 3.42Å; V1144-L1148 PolarHBondContact O-N 3.13Å; V1144-C1179 HydrophobicContact CG1-CB 4.05Å; V1144-L1197 HydrophobicContact CG2-CD1 3.58Å; V1144-L1197 HydrophobicContact CG2-CD2 4.36Å; V1144-V1204 HydrophobicContact CG2-CG1 4.44Å
1145	E	97.1	Very high	95	Very high	19 Å²	19	50.8 Å²	50.8	9%	0.089	26%	0.255	C	S	.	.	H	α-helix	trans	-57.3	-45.9	176.6	-173.6	-167.6	-136.5	0	0	111.3	F1141 H1143 H1147 L1148 R1149 H1160 I1174 D1175 L1178	F1141-E1145 WeakPolarHBondContact O-CB 3.08Å; F1141-E1145 PolarHBondContact O-N 3.44Å; H1143-E1145 PolarHBondContact O-N 3.27Å; E1145-H1147 PolarHBondContact O-N 3.13Å; E1145-L1148 PolarHBondContact O-N 3.19Å; E1145-R1149 WeakPolarHBondContact O-CG 3.14Å; E1145-R1149 PolarHBondContact O-N 2.61Å; E1145-R1149 VanDerWaalsContact O-N 3.08Å; E1145-R1149 IonicContact OE2-NH1 3.9Å; E1145-H1160 IonicContact OE1-CE1 2.7Å; E1145-I1174 HydrophobicContact CB-CG2 4.07Å; E1145-I1174 HydrophobicContact CG-CG2 4.5Å; E1145-D1175 WeakPolarHBondContact OE1-CB 3.36Å; E1145-D1175 PolarHBondContact OE1-N 2.91Å; E1145-L1178 HydrophobicContact CG-CD2 3.98Å
1146	M	96.1	Very high	95.1	Very high	79 Å²	79	44 Å²	44	39%	0.389	22%	0.224	S	C	.	.	H	α-helix	trans	-59.3	-47.7	179	-179.5	-173.4	69.5	0	0	112.6	Q1142 H1143 V1144 S1150	Q1142-M1146 WeakPolarHBondContact O-CB 3.29Å; Q1142-M1146 PolarHBondContact O-N 3.23Å; H1143-M1146 WeakPolarHBondContact O-CB 3.35Å; H1143-M1146 PolarHBondContact O-N 2.52Å; V1144-M1146 VanDerWaalsContact C-N 3.32Å; V1144-M1146 PolarHBondContact O-N 3.03Å; M1146-S1150 PolarHBondContact O-OG 3.05Å
1147	H	96.2	Very high	95.1	Very high	30 Å²	30	38.7 Å²	38.7	14%	0.139	20%	0.201	C	C	.	.	H	α-helix	trans	-67.6	-41.3	179.8	-73	-68.3	0	0	0	111.7	H1143 V1144 E1145 R1149 S1150 E1151 V1193 E1196	H1143-H1147 PolarHBondContact O-CD2 2.91Å; H1143-H1147 PolarHBondContact O-N 3.09Å; V1144-H1147 PolarHBondContact O-N 3.37Å; E1145-H1147 PolarHBondContact O-N 3.13Å; H1147-R1149 VanDerWaalsContact C-N 3.34Å; H1147-R1149 PolarHBondContact O-N 3.42Å; H1147-S1150 WeakPolarHBondContact O-CB 3.39Å; H1147-S1150 PolarHBondContact O-N 3.04Å; H1147-E1151 PolarHBondContact O-N 3.18Å; H1147-V1193 HydrophobicContact CB-CG1 3.84Å; H1147-V1193 HydrophobicContact CB-CG2 4.13Å; H1147-E1196 VanDerWaalsContact CE1-CB 3.48Å; H1147-E1196 WeakPolarHBondContact CE1-CB 3.45Å
1148	L	95.4	Very high	95.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.6	-34.2	179.8	-73.1	168.5	0	0	0	113.2	V1144 E1145 S1150 H1152 L1178 C1179 F1182 M1185	V1144-L1148 HydrophobicContact CG1-CD1 3.6Å; V1144-L1148 HydrophobicContact CG1-CG 4.4Å; V1144-L1148 WeakPolarHBondContact O-CB 3.38Å; V1144-L1148 WeakPolarHBondContact O-CG 3.42Å; V1144-L1148 PolarHBondContact O-N 3.13Å; E1145-L1148 PolarHBondContact O-N 3.19Å; L1148-S1150 PolarHBondContact O-N 3.02Å; L1148-H1152 HydrophobicContact CD2-CB 4.47Å; L1148-H1152 CarbonylContact O-C 3.6Å; L1148-H1152 VanDerWaalsContact O-C 3.3Å; L1148-H1152 WeakPolarHBondContact O-CA 3.44Å; L1148-H1152 PolarHBondContact O-N 2.93Å; L1148-L1178 HydrophobicContact CB-CD1 4.25Å; L1148-L1178 HydrophobicContact CB-CD2 4.3Å; L1148-L1178 HydrophobicContact CB-CG 4.01Å; L1148-L1178 WeakPolarHBondContact CD1-O 3.46Å; L1148-C1179 VanDerWaalsContact CD1-CA 3.45Å; L1148-C1179 WeakPolarHBondContact CD1-O 3.43Å; L1148-F1182 HydrophobicContact CD1-CB 4.21Å; L1148-F1182 HydrophobicContact CD2-CB 4.26Å; L1148-F1182 HydrophobicContact CD2-CD2 4.49Å; L1148-M1185 HydrophobicContact CD2-CE 3.54Å; L1148-M1185 HydrophobicContact CD2-CG 4.38Å; L1148-M1185 HydrophobicContact CD2-SD 3.43Å; L1148-M1185 WeakPolarHBondContact CD2-SD 3.49Å
1149	R	94.2	Very high	95.2	Very high	72 Å²	72	41.7 Å²	41.7	27%	0.272	22%	0.216	S	C	.	.	H	α-helix	trans	-56.8	-32	171.2	-75.3	-169.5	-66.2	-139.7	-2.5	112.9	E1145 H1147 H1160 L1178	E1145-R1149 WeakPolarHBondContact O-CG 3.14Å; E1145-R1149 PolarHBondContact O-N 2.61Å; E1145-R1149 VanDerWaalsContact O-N 3.08Å; E1145-R1149 IonicContact OE2-NH1 3.9Å; H1147-R1149 VanDerWaalsContact C-N 3.34Å; H1147-R1149 PolarHBondContact O-N 3.42Å; R1149-H1160 WeakPolarHBondContact CD-ND1 3.49Å; R1149-H1160 HydrophobicContact CG-CB 4.13Å; R1149-L1178 HydrophobicContact CG-CD2 3.5Å
1150	S	91.7	Very high	95.2	Very high	90 Å²	90	38.7 Å²	38.7	63%	0.629	20%	0.2	S	C	*	.	H	α-helix	trans	-88.6	-47	-177.1	-54	0	0	0	0	111.8	M1146 H1147 L1148	M1146-S1150 PolarHBondContact O-OG 3.05Å; H1147-S1150 WeakPolarHBondContact O-CB 3.39Å; H1147-S1150 PolarHBondContact O-N 3.04Å; L1148-S1150 PolarHBondContact O-N 3.02Å
1151	E	92.1	Very high	95.1	Very high	71 Å²	71	41.3 Å²	41.3	33%	0.332	21%	0.214	S	C	.	.	H	α-helix	trans	-84.4	-23.7	-173.4	-68.6	-58.2	137.2	0	0	113.8	H1147 M1185 K1189 V1193	H1147-E1151 PolarHBondContact O-N 3.18Å; E1151-M1185 HydrophobicContact CB-SD 4.47Å; E1151-K1189 PolarHBondContact O-NZ 2.94Å; E1151-V1193 HydrophobicContact CB-CG2 4.12Å; E1151-V1193 HydrophobicContact CG-CG2 3.81Å
1152	H	90.9	Very high	95	Very high	56 Å²	56	43.8 Å²	43.8	26%	0.259	23%	0.232	S	C	.	.	S	Bend	trans	-135.9	66	-178.3	-156.2	58.6	0	0	0	111.9	L1148 Q1181 M1185	L1148-H1152 HydrophobicContact CD2-CB 4.47Å; L1148-H1152 CarbonylContact O-C 3.6Å; L1148-H1152 VanDerWaalsContact O-C 3.3Å; L1148-H1152 WeakPolarHBondContact O-CA 3.44Å; L1148-H1152 PolarHBondContact O-N 2.93Å; H1152-Q1181 PolarHBondContact CD2-OE1 3.25Å; H1152-M1185 HydrophobicContact CB-CG 4.18Å; H1152-M1185 HydrophobicContact CB-SD 3.79Å
1153	P	92.3	Very high	95	Very high	71 Å²	71	39.5 Å²	39.5	46%	0.461	21%	0.212	S	C	.	.			trans	-66.5	152	-176.2	28.3	-35.9	0	0	0	112
1154	P	95.1	Very high	95	Very high	9 Å²	9	36.2 Å²	36.2	6%	0.058	20%	0.197	C	C	.	.			trans	-56.1	138.9	-176.3	-28.8	37.8	0	0	0	114.5	V58 F59 C1156 G1157 R1158 H1160	V58-P1154 WeakPolarHBondContact O-CB 3.32Å; F59-P1154 HydrophobicContact CB-CB 4.07Å; F59-P1154 HydrophobicContact CB-CG 3.94Å; F59-P1154 HydrophobicContact CD2-CB 3.99Å; F59-P1154 HydrophobicContact CD2-CG 3.83Å; F59-P1154 HydrophobicContact CG-CG 4.29Å; P1154-C1156 PolarHBondContact O-N 3.15Å; P1154-G1157 PolarHBondContact O-N 3.5Å; P1154-R1158 WeakPolarHBondContact CB-O 3.4Å; P1154-R1158 WeakPolarHBondContact CG-O 3.42Å; P1154-H1160 HydrophobicContact CG-CB 4.01Å
1155	L	95.2	Very high	95	Very high	24 Å²	24	37.8 Å²	37.8	13%	0.126	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-45	-171.7	-176	64.4	0	0	0	112.7	L38 V56 V58 L90 F99 K101 G1157	L38-L1155 HydrophobicContact CD2-CD2 4.44Å; V56-L1155 HydrophobicContact CB-CD2 4.4Å; V56-L1155 HydrophobicContact CG1-CB 4.3Å; V56-L1155 HydrophobicContact CG1-CD2 3.97Å; V58-L1155 HydrophobicContact CG1-CB 4.33Å; V58-L1155 HydrophobicContact CG1-CD2 4.48Å; L90-L1155 HydrophobicContact CD1-CD2 3.85Å; L90-L1155 HydrophobicContact CD1-CG 4.31Å; L90-L1155 HydrophobicContact CD2-CD1 3.78Å; L90-L1155 HydrophobicContact CD2-CD2 4.26Å; L90-L1155 HydrophobicContact CD2-CG 3.93Å; F99-L1155 HydrophobicContact CB-CD1 4.38Å; F99-L1155 HydrophobicContact CB-CD2 3.85Å; F99-L1155 HydrophobicContact CD2-CD2 4.31Å; F99-L1155 HydrophobicContact CG-CD2 4.44Å; K101-L1155 HydrophobicContact CB-CD1 4.38Å; K101-L1155 WeakPolarHBondContact CD-O 3.36Å; L1155-G1157 PolarHBondContact O-N 3.19Å
1156	C	95.8	Very high	94.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	14.9	-178.3	-65.2	0	0	0	0	113.9	V58 S82 S84 P1154 R1158	V58-C1156 HydrophobicContact CB-CB 4.11Å; S82-C1156 PolarHBondContact OG-O 2.92Å; S84-C1156 WeakPolarHBondContact CB-O 3.38Å; S84-C1156 PolarHBondContact OG-O 2.63Å; S84-C1156 VanDerWaalsContact OG-O 3.04Å; P1154-C1156 PolarHBondContact O-N 3.15Å; C1156-R1158 PolarHBondContact O-N 3.38Å
1157	G	94.1	Very high	94.6	Very high	8 Å²	8	40.7 Å²	40.7	8%	0.082	22%	0.215	C	C	.	.			trans	72.4	10.6	172.6	0	0	0	0	0	115	R86 Q104 P1154 L1155	R86-G1157 PolarHBondContact NH1-O 2.81Å; Q104-G1157 VanDerWaalsContact OE1-CA 3.26Å; P1154-G1157 PolarHBondContact O-N 3.5Å; L1155-G1157 PolarHBondContact O-N 3.19Å
1158	R	95.5	Very high	94.5	Very high	14 Å²	14	41.1 Å²	41.1	5%	0.053	22%	0.216	C	C	.	.			trans	-71.9	131.2	170.8	-172	66.6	173.5	102.5	4.1	108.9	F59 D83 S110 P1154 C1156 H1160 S1162 F1163	F59-R1158 WeakPolarHBondContact O-CB 3.37Å; F59-R1158 WeakPolarHBondContact O-CG 3.34Å; D83-R1158 IonicContact OD1-NE 3.74Å; D83-R1158 WeakPolarHBondContact OD2-CD 3.36Å; D83-R1158 IonicContact OD2-CZ 3.14Å; D83-R1158 IonicContact OD2-NE 3.7Å; D83-R1158 PolarHBondContact OD2-NE 2.6Å; D83-R1158 IonicContact OD2-NH2 3.96Å; S110-R1158 PolarHBondContact OG-NH1 3.38Å; P1154-R1158 WeakPolarHBondContact CB-O 3.4Å; P1154-R1158 WeakPolarHBondContact CG-O 3.42Å; C1156-R1158 PolarHBondContact O-N 3.38Å; R1158-H1160 PolarHBondContact O-N 2.8Å; R1158-S1162 PolarHBondContact NH2-O 2.76Å; R1158-S1162 VanDerWaalsContact NH2-O 3.1Å; R1158-F1163 HydrophobicContact CG-CB 3.9Å
1159	D	95.2	Very high	94.6	Very high	85 Å²	85	45.9 Å²	45.9	46%	0.455	25%	0.247	S	C	.	.			trans	-65.4	124	170.4	173.8	67.6	0	0	0	110	L1161 S1162 F1163	D1159-L1161 PolarHBondContact O-N 3.11Å; D1159-S1162 PolarHBondContact O-N 2.79Å; D1159-S1162 WeakPolarHBondContact OD2-CB 3.29Å; D1159-S1162 PolarHBondContact OD2-N 3.37Å; D1159-S1162 PolarHBondContact OD2-OG 2.7Å; D1159-F1163 PolarHBondContact O-N 2.88Å
1160	H	96.5	Very high	94.7	Very high	3 Å²	3	44.2 Å²	44.2	1%	0.014	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-47.6	-173	169.6	-91.5	0	0	0	112.4	F59 E1145 R1149 P1154 R1158 S1162 F1163 R1164 D1175	F59-H1160 AromaticContact CD1-CD2 3.74Å; F59-H1160 AromaticContact CG-CD2 3.87Å; E1145-H1160 IonicContact OE1-CE1 2.7Å; R1149-H1160 WeakPolarHBondContact CD-ND1 3.49Å; R1149-H1160 HydrophobicContact CG-CB 4.13Å; P1154-H1160 HydrophobicContact CG-CB 4.01Å; R1158-H1160 PolarHBondContact O-N 2.8Å; H1160-S1162 VanDerWaalsContact C-N 3.33Å; H1160-S1162 PolarHBondContact O-N 3.28Å; H1160-F1163 WeakPolarHBondContact O-CB 3.42Å; H1160-F1163 PolarHBondContact O-N 2.69Å; H1160-F1163 VanDerWaalsContact O-N 3.1Å; H1160-R1164 PolarHBondContact O-N 3.45Å; H1160-D1175 IonicContact CD2-OD2 3.78Å; H1160-D1175 IonicContact CE1-OD2 3.41Å; H1160-D1175 IonicContact NE2-OD2 2.67Å; H1160-D1175 PolarHBondContact NE2-OD2 2.8Å
1161	L	95.3	Very high	95	Very high	75 Å²	75	44.5 Å²	44.5	39%	0.393	24%	0.235	S	C	.	.	H	α-helix	trans	-65.5	-40.1	-178.2	-177.7	60.7	0	0	0	111.2	D1159 F1163 R1164 S1165 V1170	D1159-L1161 PolarHBondContact O-N 3.11Å; L1161-F1163 VanDerWaalsContact C-N 3.29Å; L1161-F1163 PolarHBondContact O-N 2.94Å; L1161-R1164 PolarHBondContact O-N 2.89Å; L1161-S1165 WeakPolarHBondContact O-CB 3.22Å; L1161-S1165 PolarHBondContact O-N 3.4Å; L1161-S1165 PolarHBondContact O-OG 2.97Å; L1161-V1170 HydrophobicContact CD1-CG1 3.39Å
1162	S	95.2	Very high	95.3	Very high	53 Å²	53	43.8 Å²	43.8	37%	0.371	23%	0.233	S	C	.	.	H	α-helix	trans	-66.4	-28.4	174.3	-60.5	0	0	0	0	113.1	R1158 D1159 H1160 S1165 Y1166	R1158-S1162 PolarHBondContact NH2-O 2.76Å; R1158-S1162 VanDerWaalsContact NH2-O 3.1Å; D1159-S1162 PolarHBondContact O-N 2.79Å; D1159-S1162 WeakPolarHBondContact OD2-CB 3.29Å; D1159-S1162 PolarHBondContact OD2-N 3.37Å; D1159-S1162 PolarHBondContact OD2-OG 2.7Å; H1160-S1162 VanDerWaalsContact C-N 3.33Å; H1160-S1162 PolarHBondContact O-N 3.28Å; S1162-S1165 CarbonylContact O-C 3.58Å; S1162-Y1166 PolarHBondContact O-N 2.71Å
1163	F	96.6	Very high	95.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-73.6	-49.4	172.3	173.3	-113.2	0	0	0	111.2	K36 F59 V61 H1096 R1158 D1159 H1160 L1161 S1165 Y1166	K36-F1163 HydrophobicContact CD-CZ 4.3Å; F59-F1163 VanDerWaalsContact C-CD1 3.48Å; F59-F1163 HydrophobicContact CB-CD1 3.97Å; F59-F1163 HydrophobicContact CB-CE1 4.38Å; F59-F1163 VanDerWaalsContact O-CB 3.26Å; F59-F1163 WeakPolarHBondContact O-CB 3.36Å; F59-F1163 WeakPolarHBondContact O-CD1 2.89Å; F59-F1163 WeakPolarHBondContact O-CG 3.39Å; V61-F1163 HydrophobicContact CG2-CE2 4.41Å; H1096-F1163 PolarHBondContact CD2-O 2.97Å; R1158-F1163 HydrophobicContact CG-CB 3.9Å; D1159-F1163 PolarHBondContact O-N 2.88Å; H1160-F1163 WeakPolarHBondContact O-CB 3.42Å; H1160-F1163 PolarHBondContact O-N 2.69Å; H1160-F1163 VanDerWaalsContact O-N 3.1Å; L1161-F1163 VanDerWaalsContact C-N 3.29Å; L1161-F1163 PolarHBondContact O-N 2.94Å; F1163-S1165 PolarHBondContact O-N 2.85Å; F1163-S1165 VanDerWaalsContact O-N 3.08Å; F1163-Y1166 WeakPolarHBondContact O-CB 3.35Å; F1163-Y1166 PolarHBondContact O-N 3.22Å; F1163-Y1166 VanDerWaalsContact O-N 3.09Å
1164	R	97.5	Very high	95.9	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-65.2	-13.8	175.9	-62.4	-51.9	-174.2	-170.9	1.3	113.8	E57 Y1095 H1096 V1097 H1160 L1161 V1170 D1175	E57-R1164 IonicContact OE1-NH2 3.18Å; Y1095-R1164 HydrophobicContact CE2-CB 4.37Å; Y1095-R1164 HydrophobicContact CE2-CG 4.04Å; Y1095-R1164 PolarHBondContact OH-NE 2.97Å; Y1095-R1164 VanDerWaalsContact OH-NE 3.07Å; Y1095-R1164 PolarHBondContact OH-NH1 3.21Å; Y1095-R1164 PolarHBondContact OH-NH2 2.75Å; H1096-R1164 VanDerWaalsContact CB-O 3.28Å; H1096-R1164 WeakPolarHBondContact CB-O 3.45Å; H1096-R1164 PolarHBondContact N-O 2.87Å; H1096-R1164 VanDerWaalsContact O-CD 3.32Å; H1096-R1164 WeakPolarHBondContact O-CD 3.31Å; H1096-R1164 PolarHBondContact O-NH1 2.8Å; V1097-R1164 PolarHBondContact O-NH1 2.78Å; V1097-R1164 VanDerWaalsContact O-NH1 3.12Å; H1160-R1164 PolarHBondContact O-N 3.45Å; L1161-R1164 PolarHBondContact O-N 2.89Å; R1164-V1170 HydrophobicContact CB-CB 4.23Å; R1164-V1170 HydrophobicContact CB-CG2 4.35Å; R1164-D1175 IonicContact CZ-OD2 3.38Å; R1164-D1175 IonicContact NE-OD2 3.06Å; R1164-D1175 PolarHBondContact NE-OD2 2.96Å; R1164-D1175 IonicContact NH2-OD1 2.79Å; R1164-D1175 PolarHBondContact NH2-OD1 2.81Å; R1164-D1175 IonicContact NH2-OD2 2.68Å; R1164-D1175 PolarHBondContact NH2-OD2 2.99Å
1165	S	96.6	Very high	96	Very high	33 Å²	33	38 Å²	38	23%	0.231	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	23.3	175.7	-55.3	0	0	0	0	114	L1161 S1162 F1163 Y1167 F1168 V1170	L1161-S1165 WeakPolarHBondContact O-CB 3.22Å; L1161-S1165 PolarHBondContact O-N 3.4Å; L1161-S1165 PolarHBondContact O-OG 2.97Å; S1162-S1165 CarbonylContact O-C 3.58Å; F1163-S1165 PolarHBondContact O-N 2.85Å; F1163-S1165 VanDerWaalsContact O-N 3.08Å; S1165-Y1167 PolarHBondContact O-N 3.37Å; S1165-F1168 CarbonylContact C-O 3.46Å; S1165-F1168 VanDerWaalsContact CA-O 3.24Å; S1165-F1168 WeakPolarHBondContact CA-O 3.41Å; S1165-V1170 PolarHBondContact OG-N 2.96Å
1166	Y	93.9	Very high	96.1	Very high	51 Å²	51	36.9 Å²	36.9	20%	0.2	19%	0.194	C	C	.	.	S	Bend	trans	-54.3	-45.8	-166.7	-162.9	-79.3	0	0	0	114.3	D83 G111 C112 S1162 F1163	D83-Y1166 VanDerWaalsContact OD2-CE2 3.31Å; D83-Y1166 WeakPolarHBondContact OD2-CE2 3.24Å; G111-Y1166 WeakPolarHBondContact CA-OH 3.25Å; C112-Y1166 PolarHBondContact N-OH 2.91Å; S1162-Y1166 PolarHBondContact O-N 2.71Å; F1163-Y1166 WeakPolarHBondContact O-CB 3.35Å; F1163-Y1166 PolarHBondContact O-N 3.22Å; F1163-Y1166 VanDerWaalsContact O-N 3.09Å
1167	Y	91.8	Very high	96	Very high	108 Å²	108	37.5 Å²	37.5	42%	0.424	20%	0.197	S	C	.	.	S	Bend	trans	-108.4	-41.5	179.7	-68	-82	0	0	0	112.7	F1050 H1096 S1165	F1050-Y1167 HydrophobicContact CB-CD1 4.25Å; F1050-Y1167 HydrophobicContact CB-CD2 3.77Å; F1050-Y1167 HydrophobicContact CB-CE1 4.02Å; F1050-Y1167 HydrophobicContact CB-CE2 3.54Å; F1050-Y1167 HydrophobicContact CB-CG 4.12Å; F1050-Y1167 AromaticContact CD1-CE1 3.94Å; F1050-Y1167 HydrophobicContact CD1-CE1 3.94Å; F1050-Y1167 AromaticContact CD1-CZ 3.82Å; F1050-Y1167 HydrophobicContact CG-CD1 4.32Å; F1050-Y1167 AromaticContact CG-CE1 3.93Å; F1050-Y1167 HydrophobicContact CG-CE1 3.93Å; F1050-Y1167 HydrophobicContact CG-CE2 4.3Å; F1050-Y1167 AromaticContact CG-CZ 3.91Å; F1050-Y1167 WeakPolarHBondContact O-CE2 3.28Å; H1096-Y1167 AromaticContact CE1-CD2 3.78Å; H1096-Y1167 AromaticContact CE1-CE2 3.74Å; H1096-Y1167 AromaticContact ND1-CD2 3.83Å; S1165-Y1167 PolarHBondContact O-N 3.37Å
1168	F	94.8	Very high	96.1	Very high	38 Å²	38	37.2 Å²	37.2	17%	0.167	19%	0.194	C	C	.	.	S	Bend	trans	-130.8	143.5	178.7	-61.6	-81.2	0	0	0	108.3	Y1029 R1031 N1052 N1094 S1165 V1170	Y1029-F1168 HydrophobicContact CD1-CE1 4.19Å; Y1029-F1168 HydrophobicContact CG-CE1 4.36Å; R1031-F1168 HydrophobicContact CG-CZ 4.36Å; R1031-F1168 VanDerWaalsContact NH1-CZ 3.28Å; N1052-F1168 HydrophobicContact CB-CD2 4.4Å; N1094-F1168 WeakPolarHBondContact ND2-CB 3.46Å; N1094-F1168 PolarHBondContact ND2-O 2.72Å; N1094-F1168 VanDerWaalsContact ND2-O 3.1Å; S1165-F1168 CarbonylContact C-O 3.46Å; S1165-F1168 VanDerWaalsContact CA-O 3.24Å; S1165-F1168 WeakPolarHBondContact CA-O 3.41Å; F1168-V1170 PolarHBondContact O-N 2.78Å
1169	P	96.4	Very high	96.1	Very high	100 Å²	100	36.5 Å²	36.5	65%	0.649	19%	0.191	S	C	*	.			trans	-53.9	133.7	177.6	-25.8	34.6	0	0	0	112	N1094 K1171	N1094-P1169 PolarHBondContact ND2-O 3.43Å; P1169-K1171 PolarHBondContact O-N 2.75Å
1170	V	97.3	Very high	95.9	Very high	37 Å²	37	33 Å²	33	22%	0.224	17%	0.172	C	C	.	.			trans	-59.3	135.4	171.2	68.5	0	0	0	0	109.3	N1094 Y1095 L1161 R1164 S1165 F1168 V1173	N1094-V1170 CarbonylContact O-C 3.54Å; N1094-V1170 WeakPolarHBondContact O-CA 3.32Å; Y1095-V1170 HydrophobicContact CD2-CG2 3.92Å; L1161-V1170 HydrophobicContact CD1-CG1 3.39Å; R1164-V1170 HydrophobicContact CB-CB 4.23Å; R1164-V1170 HydrophobicContact CB-CG2 4.35Å; S1165-V1170 PolarHBondContact OG-N 2.96Å; F1168-V1170 PolarHBondContact O-N 2.78Å; V1170-V1173 HydrophobicContact CG2-CB 4.48Å
1171	K	97.7	Very high	95.7	Very high	97 Å²	97	33.7 Å²	33.7	42%	0.422	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-143.7	122.8	-176.8	-176.4	177.1	-178.3	179.6	0	110.1	V1091 M1093 N1094 P1169 V1173	V1091-K1171 WeakPolarHBondContact O-CE 3.27Å; V1091-K1171 PolarHBondContact O-NZ 2.8Å; M1093-K1171 WeakPolarHBondContact CA-O 3.12Å; N1094-K1171 HydrophobicContact CB-CB 4.3Å; N1094-K1171 PolarHBondContact N-O 3.32Å; N1094-K1171 PolarHBondContact O-N 3.31Å; P1169-K1171 PolarHBondContact O-N 2.75Å; K1171-V1173 PolarHBondContact O-N 3.28Å
1172	N	97.7	Very high	95.6	Very high	56 Å²	56	30.1 Å²	30.1	30%	0.299	16%	0.157	S	C	.	.	S	Bend	trans	56.8	29.9	173.3	-59.3	-21.7	0	0	0	115	M1 F2 L3 I1092	M1-N1172 WeakPolarHBondContact O-CB 3.5Å; F2-N1172 WeakPolarHBondContact CA-O 3.38Å; F2-N1172 HydrophobicContact CD1-CB 3.78Å; F2-N1172 HydrophobicContact CE1-CB 4.15Å; F2-N1172 VanDerWaalsContact CE1-OD1 3.25Å; F2-N1172 WeakPolarHBondContact CE1-OD1 3.23Å; L3-N1172 PolarHBondContact N-O 3.33Å; I1092-N1172 PolarHBondContact O-ND2 2.78Å
1173	V	98	Very high	95.2	Very high	9 Å²	9	29.5 Å²	29.5	6%	0.055	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.9	172.5	-173.2	0	0	0	0	109.2	L3 N5 M1093 Y1095 L1129 V1170 K1171	L3-V1173 HydrophobicContact CB-CG1 4.49Å; L3-V1173 HydrophobicContact CB-CG2 4.24Å; L3-V1173 CarbonylContact O-C 3.54Å; L3-V1173 WeakPolarHBondContact O-CA 3.47Å; N5-V1173 HydrophobicContact CB-CG1 3.94Å; M1093-V1173 HydrophobicContact CG-CG2 3.28Å; M1093-V1173 HydrophobicContact SD-CG2 3.31Å; M1093-V1173 WeakPolarHBondContact SD-CG2 3.37Å; Y1095-V1173 HydrophobicContact CD2-CB 3.8Å; Y1095-V1173 HydrophobicContact CD2-CG1 3.57Å; Y1095-V1173 HydrophobicContact CD2-CG2 4.46Å; Y1095-V1173 HydrophobicContact CE2-CG1 3.98Å; Y1095-V1173 HydrophobicContact CG-CB 4.21Å; Y1095-V1173 HydrophobicContact CG-CG1 3.89Å; Y1095-V1173 HydrophobicContact CG-CG2 4.42Å; L1129-V1173 HydrophobicContact CD2-CG1 3.91Å; V1170-V1173 HydrophobicContact CG2-CB 4.48Å; K1171-V1173 PolarHBondContact O-N 3.28Å
1174	I	98	Very high	94.6	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.026	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.1	169.4	-63.8	173.5	0	0	0	108	L3 Y4 N5 F1132 H1138 F1141 Q1142 E1145 G1176	L3-I1174 PolarHBondContact O-N 3.31Å; Y4-I1174 HydrophobicContact CD2-CB 4.23Å; Y4-I1174 HydrophobicContact CD2-CG2 4.02Å; Y4-I1174 HydrophobicContact CE2-CG2 4.26Å; N5-I1174 PolarHBondContact N-O 2.79Å; F1132-I1174 HydrophobicContact CE2-CB 4.45Å; F1132-I1174 HydrophobicContact CE2-CD1 3.66Å; F1132-I1174 HydrophobicContact CE2-CG1 4.28Å; F1132-I1174 HydrophobicContact CZ-CD1 3.76Å; H1138-I1174 WeakPolarHBondContact O-CD1 3.33Å; F1141-I1174 HydrophobicContact CB-CD1 3.83Å; F1141-I1174 HydrophobicContact CB-CG2 4.2Å; Q1142-I1174 HydrophobicContact CB-CD1 3.94Å; E1145-I1174 HydrophobicContact CB-CG2 4.07Å; E1145-I1174 HydrophobicContact CG-CG2 4.5Å; I1174-G1176 PolarHBondContact O-N 2.68Å; I1174-G1176 VanDerWaalsContact O-N 3.16Å
1175	D	97.7	Very high	94.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	97.9	175.1	-171.5	-5.1	0	0	0	111	Y1095 E1145 H1160 R1164 D1177 L1178 C1179	Y1095-D1175 HydrophobicContact CE2-CB 4.37Å; Y1095-D1175 VanDerWaalsContact OH-CG 3.25Å; Y1095-D1175 PolarHBondContact OH-OD1 2.8Å; E1145-D1175 WeakPolarHBondContact OE1-CB 3.36Å; E1145-D1175 PolarHBondContact OE1-N 2.91Å; H1160-D1175 IonicContact CD2-OD2 3.78Å; H1160-D1175 IonicContact CE1-OD2 3.41Å; H1160-D1175 IonicContact NE2-OD2 2.67Å; H1160-D1175 PolarHBondContact NE2-OD2 2.8Å; R1164-D1175 IonicContact CZ-OD2 3.38Å; R1164-D1175 IonicContact NE-OD2 3.06Å; R1164-D1175 PolarHBondContact NE-OD2 2.96Å; R1164-D1175 IonicContact NH2-OD1 2.79Å; R1164-D1175 PolarHBondContact NH2-OD1 2.81Å; R1164-D1175 IonicContact NH2-OD2 2.68Å; R1164-D1175 PolarHBondContact NH2-OD2 2.99Å; D1175-D1177 VanDerWaalsContact C-N 3.3Å; D1175-D1177 PolarHBondContact O-N 2.82Å; D1175-D1177 WeakPolarHBondContact OD1-CB 3.43Å; D1175-D1177 PolarHBondContact OD1-N 3.18Å; D1175-L1178 HydrophobicContact CB-CB 4.2Å; D1175-L1178 PolarHBondContact O-N 2.7Å; D1175-L1178 PolarHBondContact OD1-N 3.39Å; D1175-C1179 PolarHBondContact O-N 2.76Å; D1175-C1179 VanDerWaalsContact O-N 3.12Å; D1175-C1179 PolarHBondContact O-SG 2.87Å
1176	G	96.1	Very high	93.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.8	-25.9	176.1	0	0	0	0	0	113.8	Y4 N5 I1174 L1178 C1179 E1180	Y4-G1176 VanDerWaalsContact OH-CA 3.23Å; Y4-G1176 WeakPolarHBondContact OH-CA 3.47Å; Y4-G1176 PolarHBondContact OH-O 3.15Å; N5-G1176 WeakPolarHBondContact O-CA 3.2Å; N5-G1176 PolarHBondContact O-N 2.92Å; I1174-G1176 PolarHBondContact O-N 2.68Å; I1174-G1176 VanDerWaalsContact O-N 3.16Å; G1176-L1178 VanDerWaalsContact C-N 3.27Å; G1176-L1178 PolarHBondContact O-N 2.78Å; G1176-C1179 PolarHBondContact O-N 2.86Å; G1176-E1180 VanDerWaalsContact O-CB 3.31Å; G1176-E1180 WeakPolarHBondContact O-CB 3.39Å; G1176-E1180 WeakPolarHBondContact O-CG 3.39Å; G1176-E1180 PolarHBondContact O-N 2.79Å
1177	D	94.8	Very high	93.4	Very high	14 Å²	14	37.9 Å²	37.9	8%	0.075	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-35.4	175.8	-63.2	-34.1	0	0	0	110.5	N5 T7 E57 F59 D1175 Q1181	N5-D1177 PolarHBondContact ND2-OD2 2.91Å; T7-D1177 VanDerWaalsContact CB-OD1 3.25Å; T7-D1177 WeakPolarHBondContact CB-OD1 3.15Å; T7-D1177 PolarHBondContact N-OD1 3.08Å; T7-D1177 VanDerWaalsContact OG1-CG 3.32Å; T7-D1177 PolarHBondContact OG1-OD1 3.34Å; T7-D1177 PolarHBondContact OG1-OD2 3.25Å; E57-D1177 WeakPolarHBondContact OE2-CB 3.43Å; F59-D1177 HydrophobicContact CE1-CB 4.34Å; D1175-D1177 VanDerWaalsContact C-N 3.3Å; D1175-D1177 PolarHBondContact O-N 2.82Å; D1175-D1177 WeakPolarHBondContact OD1-CB 3.43Å; D1175-D1177 PolarHBondContact OD1-N 3.18Å; D1177-Q1181 WeakPolarHBondContact O-CG 3.47Å
1178	L	96	Very high	93.3	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-67.6	-48.7	169.2	-178	65.8	0	0	0	111.2	F59 E1145 L1148 R1149 D1175 G1176 E1180 Q1181	F59-L1178 HydrophobicContact CE1-CB 4.15Å; F59-L1178 HydrophobicContact CE2-CD1 3.74Å; F59-L1178 HydrophobicContact CZ-CB 3.86Å; F59-L1178 HydrophobicContact CZ-CD1 3.85Å; F59-L1178 HydrophobicContact CZ-CG 4.48Å; E1145-L1178 HydrophobicContact CG-CD2 3.98Å; L1148-L1178 HydrophobicContact CB-CD1 4.25Å; L1148-L1178 HydrophobicContact CB-CD2 4.3Å; L1148-L1178 HydrophobicContact CB-CG 4.01Å; L1148-L1178 WeakPolarHBondContact CD1-O 3.46Å; R1149-L1178 HydrophobicContact CG-CD2 3.5Å; D1175-L1178 HydrophobicContact CB-CB 4.2Å; D1175-L1178 PolarHBondContact O-N 2.7Å; D1175-L1178 PolarHBondContact OD1-N 3.39Å; G1176-L1178 VanDerWaalsContact C-N 3.27Å; G1176-L1178 PolarHBondContact O-N 2.78Å; L1178-E1180 PolarHBondContact O-N 3.12Å; L1178-Q1181 VanDerWaalsContact O-CB 3.31Å; L1178-Q1181 WeakPolarHBondContact O-CB 3.42Å; L1178-Q1181 PolarHBondContact O-N 3.26Å
1179	C	96	Very high	93.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-54.9	-39.9	179.7	-64	0	0	0	0	112.5	Y4 V1144 L1148 D1175 G1176 Q1181 F1182 L1208	Y4-C1179 HydrophobicContact CE2-CB 4.21Å; V1144-C1179 HydrophobicContact CG1-CB 4.05Å; L1148-C1179 VanDerWaalsContact CD1-CA 3.45Å; L1148-C1179 WeakPolarHBondContact CD1-O 3.43Å; D1175-C1179 PolarHBondContact O-N 2.76Å; D1175-C1179 VanDerWaalsContact O-N 3.12Å; D1175-C1179 PolarHBondContact O-SG 2.87Å; G1176-C1179 PolarHBondContact O-N 2.86Å; C1179-Q1181 PolarHBondContact O-N 3.41Å; C1179-F1182 VanDerWaalsContact O-CB 3.3Å; C1179-F1182 WeakPolarHBondContact O-CB 3.28Å; C1179-F1182 PolarHBondContact O-N 2.93Å; C1179-F1182 VanDerWaalsContact O-N 3.14Å; C1179-L1208 HydrophobicContact CB-CD2 3.78Å
1180	E	90.7	Very high	93	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.047	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-63	-22.2	177.8	-76.8	-71.4	153.1	0	0	113.3	L6 R728 G1176 L1178 F1182	L6-E1180 HydrophobicContact CD1-CG 3.93Å; R728-E1180 IonicContact CZ-OE2 3.24Å; R728-E1180 IonicContact NH1-OE2 3.01Å; R728-E1180 PolarHBondContact NH1-OE2 3.46Å; R728-E1180 PolarHBondContact NH2-O 2.92Å; G1176-E1180 VanDerWaalsContact O-CB 3.31Å; G1176-E1180 WeakPolarHBondContact O-CB 3.39Å; G1176-E1180 WeakPolarHBondContact O-CG 3.39Å; G1176-E1180 PolarHBondContact O-N 2.79Å; L1178-E1180 PolarHBondContact O-N 3.12Å; E1180-F1182 PolarHBondContact O-N 3.37Å
1181	Q	91.6	Very high	92.9	Very high	19 Å²	19	40.3 Å²	40.3	9%	0.089	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-69.8	-10	176.1	-61	-171.5	-13.9	0	0	113.3	F59 H1152 D1177 L1178 C1179 N1183 S1184 M1185	F59-Q1181 VanDerWaalsContact CZ-NE2 3.3Å; H1152-Q1181 PolarHBondContact CD2-OE1 3.25Å; D1177-Q1181 WeakPolarHBondContact O-CG 3.47Å; L1178-Q1181 VanDerWaalsContact O-CB 3.31Å; L1178-Q1181 WeakPolarHBondContact O-CB 3.42Å; L1178-Q1181 PolarHBondContact O-N 3.26Å; C1179-Q1181 PolarHBondContact O-N 3.41Å; Q1181-N1183 VanDerWaalsContact C-N 3.26Å; Q1181-N1183 PolarHBondContact O-N 3.31Å; Q1181-S1184 WeakPolarHBondContact CA-OG 3.46Å; Q1181-S1184 PolarHBondContact O-N 2.78Å; Q1181-S1184 PolarHBondContact O-OG 3.41Å; Q1181-M1185 WeakPolarHBondContact O-CG 3.35Å; Q1181-M1185 PolarHBondContact O-N 3.49Å
1182	F	93.6	Very high	92.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-51	-47.4	175	177.1	-95.8	0	0	0	112.2	L1148 C1179 E1180 S1184 M1185 Q1190 V1193 S1194 P1201 V1204 L1208	L1148-F1182 HydrophobicContact CD1-CB 4.21Å; L1148-F1182 HydrophobicContact CD2-CB 4.26Å; L1148-F1182 HydrophobicContact CD2-CD2 4.49Å; C1179-F1182 VanDerWaalsContact O-CB 3.3Å; C1179-F1182 WeakPolarHBondContact O-CB 3.28Å; C1179-F1182 PolarHBondContact O-N 2.93Å; C1179-F1182 VanDerWaalsContact O-N 3.14Å; E1180-F1182 PolarHBondContact O-N 3.37Å; F1182-S1184 PolarHBondContact O-N 3.35Å; F1182-M1185 HydrophobicContact CD2-CE 3.55Å; F1182-M1185 HydrophobicContact CE2-CE 4.02Å; F1182-M1185 HydrophobicContact CG-CE 4.31Å; F1182-M1185 WeakPolarHBondContact O-CB 3.15Å; F1182-M1185 PolarHBondContact O-N 3.18Å; F1182-M1185 VanDerWaalsContact O-N 3.16Å; F1182-Q1190 HydrophobicContact CE1-CB 4.38Å; F1182-Q1190 HydrophobicContact CE1-CG 4.34Å; F1182-Q1190 HydrophobicContact CE2-CB 4.07Å; F1182-Q1190 HydrophobicContact CE2-CG 4.33Å; F1182-Q1190 HydrophobicContact CZ-CB 3.76Å; F1182-Q1190 HydrophobicContact CZ-CG 4.11Å; F1182-Q1190 WeakPolarHBondContact O-CG 3.38Å; F1182-Q1190 PolarHBondContact O-NE2 3Å; F1182-V1193 HydrophobicContact CD2-CG1 4.14Å; F1182-V1193 HydrophobicContact CE2-CB 4.09Å; F1182-V1193 HydrophobicContact CE2-CG1 3.99Å; F1182-S1194 WeakPolarHBondContact CZ-OG 3.49Å; F1182-P1201 HydrophobicContact CE1-CB 4.43Å; F1182-P1201 HydrophobicContact CZ-CB 4.13Å; F1182-V1204 HydrophobicContact CD1-CB 4.34Å; F1182-V1204 HydrophobicContact CD1-CG1 3.79Å; F1182-V1204 HydrophobicContact CD2-CG1 3.98Å; F1182-V1204 HydrophobicContact CE1-CB 3.8Å; F1182-V1204 HydrophobicContact CE1-CG1 3.72Å; F1182-V1204 HydrophobicContact CE2-CB 4.36Å; F1182-V1204 HydrophobicContact CE2-CG1 3.91Å; F1182-V1204 HydrophobicContact CG-CG1 3.93Å; F1182-V1204 HydrophobicContact CZ-CB 3.81Å; F1182-V1204 HydrophobicContact CZ-CG1 3.78Å; F1182-V1204 HydrophobicContact CZ-CG2 4.32Å; F1182-L1208 HydrophobicContact CB-CD1 3.94Å; F1182-L1208 HydrophobicContact CD1-CD1 4.21Å; F1182-L1208 HydrophobicContact CG-CD1 4.38Å
1183	N	87.4	Confident	92.6	Very high	39 Å²	39	36.9 Å²	36.9	21%	0.209	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-69.4	-18.3	-177.5	-65.3	-42.9	0	0	0	113.4	Q1181 Q1190 S1205	Q1181-N1183 VanDerWaalsContact C-N 3.26Å; Q1181-N1183 PolarHBondContact O-N 3.31Å; N1183-Q1190 PolarHBondContact O-NE2 3.32Å; N1183-S1205 WeakPolarHBondContact OD1-CB 3.32Å; N1183-S1205 PolarHBondContact OD1-OG 3.12Å
1184	S	83.5	Confident	92.4	Very high	63 Å²	63	36.5 Å²	36.5	44%	0.441	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-91.7	-4.1	176.1	46.6	0	0	0	0	113.9	Q1181 F1182	Q1181-S1184 WeakPolarHBondContact CA-OG 3.46Å; Q1181-S1184 PolarHBondContact O-N 2.78Å; Q1181-S1184 PolarHBondContact O-OG 3.41Å; F1182-S1184 PolarHBondContact O-N 3.35Å
1185	M	87.2	Confident	92.3	Very high	9 Å²	9	41.3 Å²	41.3	4%	0.044	21%	0.214	C	C	.	.	S	Bend	trans	-75.8	158.4	176.8	-63.4	-164.8	-59.1	0	0	112.3	L1148 E1151 H1152 Q1181 F1182 K1189 Q1190 V1193	L1148-M1185 HydrophobicContact CD2-CE 3.54Å; L1148-M1185 HydrophobicContact CD2-CG 4.38Å; L1148-M1185 HydrophobicContact CD2-SD 3.43Å; L1148-M1185 WeakPolarHBondContact CD2-SD 3.49Å; E1151-M1185 HydrophobicContact CB-SD 4.47Å; H1152-M1185 HydrophobicContact CB-CG 4.18Å; H1152-M1185 HydrophobicContact CB-SD 3.79Å; Q1181-M1185 WeakPolarHBondContact O-CG 3.35Å; Q1181-M1185 PolarHBondContact O-N 3.49Å; F1182-M1185 HydrophobicContact CD2-CE 3.55Å; F1182-M1185 HydrophobicContact CE2-CE 4.02Å; F1182-M1185 HydrophobicContact CG-CE 4.31Å; F1182-M1185 WeakPolarHBondContact O-CB 3.15Å; F1182-M1185 PolarHBondContact O-N 3.18Å; F1182-M1185 VanDerWaalsContact O-N 3.16Å; M1185-K1189 HydrophobicContact CB-CB 4.21Å; M1185-K1189 HydrophobicContact CE-CB 4.33Å; M1185-K1189 HydrophobicContact SD-CB 4.18Å; M1185-Q1190 HydrophobicContact CB-CG 4.02Å; M1185-Q1190 HydrophobicContact CE-CG 4.25Å; M1185-Q1190 PolarHBondContact O-NE2 3.09Å; M1185-V1193 HydrophobicContact CE-CB 4.43Å; M1185-V1193 HydrophobicContact CE-CG2 4.02Å
1186	E	86.4	Confident	92.1	Very high	91 Å²	91	48 Å²	48	43%	0.425	25%	0.245	S	C	.	.			trans	-59.9	145.3	170.8	-64.2	-175.7	155.6	0	0	111.4	K96 N1188 K1189 Q1190	K96-E1186 IonicContact NZ-OE1 3.07Å; E1186-N1188 PolarHBondContact O-N 2.7Å; E1186-N1188 VanDerWaalsContact O-N 3.1Å; E1186-K1189 WeakPolarHBondContact O-CB 3.22Å; E1186-K1189 PolarHBondContact O-N 3.28Å; E1186-Q1190 PolarHBondContact O-N 3.22Å; E1186-Q1190 VanDerWaalsContact O-N 3.09Å
1187	P	88.1	Confident	92	Very high	99 Å²	99	49 Å²	49	64%	0.643	25%	0.251	S	S	*	.	H	α-helix	trans	-53.7	-36.3	-175.7	-29.7	35.5	0	0	0	114.8	K1189 Q1190 K1191	P1187-K1189 VanDerWaalsContact C-N 3.34Å; P1187-K1189 PolarHBondContact O-N 2.86Å; P1187-Q1190 PolarHBondContact O-N 3.47Å; P1187-K1191 WeakPolarHBondContact O-CB 3.24Å; P1187-K1191 PolarHBondContact O-N 3.15Å
1188	N	91.5	Very high	92	Very high	120 Å²	120	55.5 Å²	55.5	64%	0.642	29%	0.286	S	S	*	.	H	α-helix	trans	-64.1	-38.8	177.3	-69.4	-24.6	0	0	0	112.1	E1186 K1191 N1192	E1186-N1188 PolarHBondContact O-N 2.7Å; E1186-N1188 VanDerWaalsContact O-N 3.1Å; N1188-K1191 PolarHBondContact O-N 2.83Å; N1188-N1192 PolarHBondContact O-N 2.47Å; N1188-N1192 PolarHBondContact O-OD1 3.04Å
1189	K	91.9	Very high	91.9	Very high	67 Å²	67	60.3 Å²	60.3	29%	0.291	30%	0.304	S	S	.	.	H	α-helix	trans	-71.6	-40	177	-68.2	-171.6	171.9	-167	0	111.6	E1151 M1185 E1186 P1187 K1191 N1192 V1193	E1151-K1189 PolarHBondContact O-NZ 2.94Å; M1185-K1189 HydrophobicContact CB-CB 4.21Å; M1185-K1189 HydrophobicContact CE-CB 4.33Å; M1185-K1189 HydrophobicContact SD-CB 4.18Å; E1186-K1189 WeakPolarHBondContact O-CB 3.22Å; E1186-K1189 PolarHBondContact O-N 3.28Å; P1187-K1189 VanDerWaalsContact C-N 3.34Å; P1187-K1189 PolarHBondContact O-N 2.86Å; K1189-K1191 VanDerWaalsContact C-N 3.27Å; K1189-K1191 PolarHBondContact O-N 2.94Å; K1189-N1192 PolarHBondContact O-N 3.44Å; K1189-V1193 WeakPolarHBondContact O-CG2 3.39Å; K1189-V1193 PolarHBondContact O-N 3.47Å
1190	Q	92.5	Very high	91.8	Very high	35 Å²	35	63.5 Å²	63.5	16%	0.164	32%	0.323	C	S	.	.	H	α-helix	trans	-57.6	-44.7	173.5	-65	-177.5	12.1	0	0	110.8	F1182 N1183 M1185 E1186 P1187 V1193 S1194 P1201	F1182-Q1190 HydrophobicContact CE1-CB 4.38Å; F1182-Q1190 HydrophobicContact CE1-CG 4.34Å; F1182-Q1190 HydrophobicContact CE2-CB 4.07Å; F1182-Q1190 HydrophobicContact CE2-CG 4.33Å; F1182-Q1190 HydrophobicContact CZ-CB 3.76Å; F1182-Q1190 HydrophobicContact CZ-CG 4.11Å; F1182-Q1190 WeakPolarHBondContact O-CG 3.38Å; F1182-Q1190 PolarHBondContact O-NE2 3Å; N1183-Q1190 PolarHBondContact O-NE2 3.32Å; M1185-Q1190 HydrophobicContact CB-CG 4.02Å; M1185-Q1190 HydrophobicContact CE-CG 4.25Å; M1185-Q1190 PolarHBondContact O-NE2 3.09Å; E1186-Q1190 PolarHBondContact O-N 3.22Å; E1186-Q1190 VanDerWaalsContact O-N 3.09Å; P1187-Q1190 PolarHBondContact O-N 3.47Å; Q1190-V1193 PolarHBondContact O-N 3.43Å; Q1190-S1194 WeakPolarHBondContact O-CB 3.32Å; Q1190-S1194 PolarHBondContact O-N 2.92Å; Q1190-S1194 PolarHBondContact O-OG 3.05Å; Q1190-P1201 HydrophobicContact CB-CB 4.28Å; Q1190-P1201 HydrophobicContact CB-CG 4.43Å
1191	K	94.1	Very high	91.8	Very high	112 Å²	112	64.8 Å²	64.8	49%	0.487	33%	0.332	S	S	.	.	H	α-helix	trans	-59.5	-51.3	176.1	-174.5	179.4	171.9	-178.6	0	111.7	P1187 N1188 K1189 V1193 S1194 E1195	P1187-K1191 WeakPolarHBondContact O-CB 3.24Å; P1187-K1191 PolarHBondContact O-N 3.15Å; N1188-K1191 PolarHBondContact O-N 2.83Å; K1189-K1191 VanDerWaalsContact C-N 3.27Å; K1189-K1191 PolarHBondContact O-N 2.94Å; K1191-V1193 PolarHBondContact O-N 3.29Å; K1191-S1194 PolarHBondContact O-N 3.46Å; K1191-S1194 VanDerWaalsContact O-N 3.16Å; K1191-E1195 WeakPolarHBondContact CE-OE1 3.5Å; K1191-E1195 HydrophobicContact CG-CG 4.39Å; K1191-E1195 IonicContact NZ-OE1 3.63Å; K1191-E1195 WeakPolarHBondContact O-CG 3.5Å; K1191-E1195 PolarHBondContact O-N 3.48Å
1192	N	94.2	Very high	91.7	Very high	79 Å²	79	66.7 Å²	66.7	42%	0.422	35%	0.347	S	S	.	.	H	α-helix	trans	-57.1	-48.3	179.2	-65.1	-8.7	0	0	0	111.9	N1188 K1189 S1194 E1195 E1196	N1188-N1192 PolarHBondContact O-N 2.47Å; N1188-N1192 PolarHBondContact O-OD1 3.04Å; K1189-N1192 PolarHBondContact O-N 3.44Å; N1192-S1194 VanDerWaalsContact C-N 3.31Å; N1192-S1194 PolarHBondContact O-N 3.35Å; N1192-E1195 PolarHBondContact O-N 2.92Å; N1192-E1196 WeakPolarHBondContact O-CG 3.13Å; N1192-E1196 PolarHBondContact O-N 3.21Å
1193	V	94.7	Very high	91.6	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.012	37%	0.365	C	S	.	.	H	α-helix	trans	-64.1	-37.8	178.7	172.3	0	0	0	0	111.6	H1147 E1151 F1182 M1185 K1189 Q1190 K1191 L1197	H1147-V1193 HydrophobicContact CB-CG1 3.84Å; H1147-V1193 HydrophobicContact CB-CG2 4.13Å; E1151-V1193 HydrophobicContact CB-CG2 4.12Å; E1151-V1193 HydrophobicContact CG-CG2 3.81Å; F1182-V1193 HydrophobicContact CD2-CG1 4.14Å; F1182-V1193 HydrophobicContact CE2-CB 4.09Å; F1182-V1193 HydrophobicContact CE2-CG1 3.99Å; M1185-V1193 HydrophobicContact CE-CB 4.43Å; M1185-V1193 HydrophobicContact CE-CG2 4.02Å; K1189-V1193 WeakPolarHBondContact O-CG2 3.39Å; K1189-V1193 PolarHBondContact O-N 3.47Å; Q1190-V1193 PolarHBondContact O-N 3.43Å; K1191-V1193 PolarHBondContact O-N 3.29Å; V1193-L1197 HydrophobicContact CG1-CD1 4.01Å; V1193-L1197 WeakPolarHBondContact O-CD1 3.48Å; V1193-L1197 VanDerWaalsContact O-CG 3.25Å; V1193-L1197 WeakPolarHBondContact O-CG 3.46Å; V1193-L1197 PolarHBondContact O-N 3.35Å
1194	S	95.2	Very high	91.9	Very high	1 Å²	1	68.8 Å²	68.8	1%	0.007	36%	0.355	C	S	.	.	H	α-helix	trans	-70.7	-39.2	179.8	-52.3	0	0	0	0	112.2	F1182 Q1190 K1191 N1192 E1196 L1197 D1198 R1199 P1201	F1182-S1194 WeakPolarHBondContact CZ-OG 3.49Å; Q1190-S1194 WeakPolarHBondContact O-CB 3.32Å; Q1190-S1194 PolarHBondContact O-N 2.92Å; Q1190-S1194 PolarHBondContact O-OG 3.05Å; K1191-S1194 PolarHBondContact O-N 3.46Å; K1191-S1194 VanDerWaalsContact O-N 3.16Å; N1192-S1194 VanDerWaalsContact C-N 3.31Å; N1192-S1194 PolarHBondContact O-N 3.35Å; S1194-E1196 VanDerWaalsContact C-N 3.34Å; S1194-E1196 PolarHBondContact O-N 3.36Å; S1194-L1197 CarbonylContact O-C 3.04Å; S1194-L1197 WeakPolarHBondContact O-CA 3.34Å; S1194-L1197 WeakPolarHBondContact O-CB 3.47Å; S1194-L1197 PolarHBondContact O-N 3.15Å; S1194-D1198 PolarHBondContact O-N 2.98Å; S1194-R1199 CarbonylContact C-O 3.58Å; S1194-R1199 WeakPolarHBondContact CB-O 3.49Å; S1194-R1199 CarbonylContact O-C 3.55Å; S1194-R1199 PolarHBondContact O-N 3.09Å; S1194-P1201 VanDerWaalsContact OG-CA 3.27Å; S1194-P1201 WeakPolarHBondContact OG-CA 3.47Å; S1194-P1201 WeakPolarHBondContact OG-CG 3.01Å
1195	E	95.4	Very high	92.2	Very high	107 Å²	107	67 Å²	67	50%	0.5	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-42	175.7	-75.5	178	170.7	0	0	111.6	K1191 N1192 L1197 D1198	K1191-E1195 WeakPolarHBondContact CE-OE1 3.5Å; K1191-E1195 HydrophobicContact CG-CG 4.39Å; K1191-E1195 IonicContact NZ-OE1 3.63Å; K1191-E1195 WeakPolarHBondContact O-CG 3.5Å; K1191-E1195 PolarHBondContact O-N 3.48Å; N1192-E1195 PolarHBondContact O-N 2.92Å; E1195-L1197 PolarHBondContact O-N 2.93Å; E1195-D1198 PolarHBondContact O-N 2.95Å; E1195-D1198 VanDerWaalsContact O-N 3.13Å
1196	E	93.8	Very high	92.3	Very high	139 Å²	139	69.7 Å²	69.7	65%	0.65	35%	0.354	S	S	*	.	H	α-helix	trans	-65.3	-22	174.2	-66.5	-71.8	156.2	0	0	113.3	H1147 N1192 S1194	H1147-E1196 VanDerWaalsContact CE1-CB 3.48Å; H1147-E1196 WeakPolarHBondContact CE1-CB 3.45Å; N1192-E1196 WeakPolarHBondContact O-CG 3.13Å; N1192-E1196 PolarHBondContact O-N 3.21Å; S1194-E1196 VanDerWaalsContact C-N 3.34Å; S1194-E1196 PolarHBondContact O-N 3.36Å
1197	L	94.1	Very high	92.6	Very high	23 Å²	23	68.1 Å²	68.1	12%	0.12	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	3	176.5	-66	169	0	0	0	113.1	F1140 H1143 V1144 V1193 S1194 E1195 R1199 V1204	F1140-L1197 HydrophobicContact CE2-CD1 4.24Å; H1143-L1197 HydrophobicContact CB-CD2 3.43Å; H1143-L1197 VanDerWaalsContact CB-CD2 3.43Å; V1144-L1197 HydrophobicContact CG2-CD1 3.58Å; V1144-L1197 HydrophobicContact CG2-CD2 4.36Å; V1193-L1197 HydrophobicContact CG1-CD1 4.01Å; V1193-L1197 WeakPolarHBondContact O-CD1 3.48Å; V1193-L1197 VanDerWaalsContact O-CG 3.25Å; V1193-L1197 WeakPolarHBondContact O-CG 3.46Å; V1193-L1197 PolarHBondContact O-N 3.35Å; S1194-L1197 CarbonylContact O-C 3.04Å; S1194-L1197 WeakPolarHBondContact O-CA 3.34Å; S1194-L1197 WeakPolarHBondContact O-CB 3.47Å; S1194-L1197 PolarHBondContact O-N 3.15Å; E1195-L1197 PolarHBondContact O-N 2.93Å; L1197-R1199 HydrophobicContact CB-CB 4.42Å; L1197-R1199 HydrophobicContact CB-CG 4.36Å; L1197-R1199 WeakPolarHBondContact O-CG 3.37Å; L1197-R1199 PolarHBondContact O-N 3.36Å; L1197-V1204 HydrophobicContact CD1-CG2 4.03Å
1198	D	94.8	Very high	92.8	Very high	150 Å²	150	63.4 Å²	63.4	80%	0.802	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	37.4	-170.2	-64.8	-52.8	0	0	0	112.9	S1194 E1195	S1194-D1198 PolarHBondContact O-N 2.98Å; E1195-D1198 PolarHBondContact O-N 2.95Å; E1195-D1198 VanDerWaalsContact O-N 3.13Å
1199	R	94.1	Very high	92.6	Very high	101 Å²	101	58.7 Å²	58.7	38%	0.381	29%	0.289	S	S	.	.	S	Bend	trans	-133.1	167.9	-178.1	-64.6	-63.6	-176.7	-149.9	-2.8	111.6	F1140 S1194 L1197 E1203 V1204	F1140-R1199 HydrophobicContact CE2-CG 4.45Å; S1194-R1199 CarbonylContact C-O 3.58Å; S1194-R1199 WeakPolarHBondContact CB-O 3.49Å; S1194-R1199 CarbonylContact O-C 3.55Å; S1194-R1199 PolarHBondContact O-N 3.09Å; L1197-R1199 HydrophobicContact CB-CB 4.42Å; L1197-R1199 HydrophobicContact CB-CG 4.36Å; L1197-R1199 WeakPolarHBondContact O-CG 3.37Å; L1197-R1199 PolarHBondContact O-N 3.36Å; R1199-E1203 WeakPolarHBondContact CA-OE2 3.36Å; R1199-E1203 HydrophobicContact CB-CB 4.27Å; R1199-V1204 HydrophobicContact CB-CG2 3.98Å
1200	T	92.9	Very high	92.5	Very high	68 Å²	68	57.6 Å²	57.6	42%	0.417	29%	0.286	S	S	.	.			trans	-93.7	154	166	63	0	0	0	0	110.6	P1202 E1203 V1204	T1200-P1202 VanDerWaalsContact C-CD 3.47Å; T1200-P1202 VanDerWaalsContact C-N 3.34Å; T1200-E1203 PolarHBondContact N-OE2 3.34Å; T1200-E1203 WeakPolarHBondContact O-CB 3.38Å; T1200-E1203 PolarHBondContact O-N 2.99Å; T1200-E1203 VanDerWaalsContact OG1-CD 3.32Å; T1200-E1203 VanDerWaalsContact OG1-CG 3.28Å; T1200-E1203 WeakPolarHBondContact OG1-CG 3.35Å; T1200-E1203 PolarHBondContact OG1-OE2 3.03Å; T1200-E1203 VanDerWaalsContact OG1-OE2 3.09Å; T1200-V1204 PolarHBondContact O-N 3.31Å
1201	P	91.1	Very high	92.3	Very high	36 Å²	36	56.7 Å²	56.7	23%	0.234	28%	0.283	C	S	.	.	H	α-helix	trans	-52	-42.5	177.1	-25.1	32.2	0	0	0	114.7	F1182 Q1190 S1194 E1203 V1204 S1205	F1182-P1201 HydrophobicContact CE1-CB 4.43Å; F1182-P1201 HydrophobicContact CZ-CB 4.13Å; Q1190-P1201 HydrophobicContact CB-CB 4.28Å; Q1190-P1201 HydrophobicContact CB-CG 4.43Å; S1194-P1201 VanDerWaalsContact OG-CA 3.27Å; S1194-P1201 WeakPolarHBondContact OG-CA 3.47Å; S1194-P1201 WeakPolarHBondContact OG-CG 3.01Å; P1201-E1203 VanDerWaalsContact C-N 3.3Å; P1201-E1203 PolarHBondContact O-N 3.4Å; P1201-V1204 PolarHBondContact O-N 2.96Å; P1201-S1205 PolarHBondContact O-N 2.94Å; P1201-S1205 PolarHBondContact O-OG 3.17Å
1202	P	88.7	Confident	92	Very high	60 Å²	60	53 Å²	53	39%	0.39	27%	0.266	S	S	.	.	H	α-helix	trans	-60.9	-33.7	175.8	-25.2	36.4	0	0	0	114.3	R690 T1200 K1206	R690-P1202 PolarHBondContact NH2-O 2.91Å; T1200-P1202 VanDerWaalsContact C-CD 3.47Å; T1200-P1202 VanDerWaalsContact C-N 3.34Å; P1202-K1206 WeakPolarHBondContact O-CB 3.45Å; P1202-K1206 PolarHBondContact O-N 3.19Å
1203	E	91.5	Very high	91.5	Very high	82 Å²	82	50.6 Å²	50.6	38%	0.383	25%	0.254	S	S	.	.	H	α-helix	trans	-69.3	-37.6	176.3	-71.1	170.5	145.8	0	0	111.8	R1199 T1200 P1201 K1206 K1207	R1199-E1203 WeakPolarHBondContact CA-OE2 3.36Å; R1199-E1203 HydrophobicContact CB-CB 4.27Å; T1200-E1203 PolarHBondContact N-OE2 3.34Å; T1200-E1203 WeakPolarHBondContact O-CB 3.38Å; T1200-E1203 PolarHBondContact O-N 2.99Å; T1200-E1203 VanDerWaalsContact OG1-CD 3.32Å; T1200-E1203 VanDerWaalsContact OG1-CG 3.28Å; T1200-E1203 WeakPolarHBondContact OG1-CG 3.35Å; T1200-E1203 PolarHBondContact OG1-OE2 3.03Å; T1200-E1203 VanDerWaalsContact OG1-OE2 3.09Å; P1201-E1203 VanDerWaalsContact C-N 3.3Å; P1201-E1203 PolarHBondContact O-N 3.4Å; E1203-K1206 VanDerWaalsContact O-CB 3.31Å; E1203-K1206 WeakPolarHBondContact O-CB 3.22Å; E1203-K1206 PolarHBondContact O-N 3.01Å; E1203-K1207 PolarHBondContact O-N 3.38Å; E1203-K1207 VanDerWaalsContact O-N 3.13Å
1204	V	93.6	Very high	91	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-49.4	174.7	178.7	0	0	0	0	110.1	F1140 V1144 F1182 L1197 R1199 T1200 P1201 K1206 K1207 L1208	F1140-V1204 HydrophobicContact CE2-CG2 4.42Å; F1140-V1204 HydrophobicContact CZ-CB 4.42Å; F1140-V1204 HydrophobicContact CZ-CG1 4.14Å; F1140-V1204 HydrophobicContact CZ-CG2 4.35Å; V1144-V1204 HydrophobicContact CG2-CG1 4.44Å; F1182-V1204 HydrophobicContact CD1-CB 4.34Å; F1182-V1204 HydrophobicContact CD1-CG1 3.79Å; F1182-V1204 HydrophobicContact CD2-CG1 3.98Å; F1182-V1204 HydrophobicContact CE1-CB 3.8Å; F1182-V1204 HydrophobicContact CE1-CG1 3.72Å; F1182-V1204 HydrophobicContact CE2-CB 4.36Å; F1182-V1204 HydrophobicContact CE2-CG1 3.91Å; F1182-V1204 HydrophobicContact CG-CG1 3.93Å; F1182-V1204 HydrophobicContact CZ-CB 3.81Å; F1182-V1204 HydrophobicContact CZ-CG1 3.78Å; F1182-V1204 HydrophobicContact CZ-CG2 4.32Å; L1197-V1204 HydrophobicContact CD1-CG2 4.03Å; R1199-V1204 HydrophobicContact CB-CG2 3.98Å; T1200-V1204 PolarHBondContact O-N 3.31Å; P1201-V1204 PolarHBondContact O-N 2.96Å; V1204-K1206 PolarHBondContact O-N 2.9Å; V1204-K1207 PolarHBondContact O-N 2.84Å; V1204-L1208 HydrophobicContact CG1-CD1 4.37Å; V1204-L1208 PolarHBondContact O-N 2.88Å
1205	S	90.4	Very high	90.5	Very high	25 Å²	25	56.4 Å²	56.4	18%	0.175	28%	0.275	C	S	.	.	H	α-helix	trans	-57.1	-31.4	174.2	-56.8	0	0	0	0	112.2	N1183 P1201 E1209	N1183-S1205 WeakPolarHBondContact OD1-CB 3.32Å; N1183-S1205 PolarHBondContact OD1-OG 3.12Å; P1201-S1205 PolarHBondContact O-N 2.94Å; P1201-S1205 PolarHBondContact O-OG 3.17Å; S1205-E1209 WeakPolarHBondContact O-CB 3.44Å; S1205-E1209 PolarHBondContact O-N 3.49Å
1206	K	89.7	Confident	89.8	Confident	67 Å²	67	51.6 Å²	51.6	29%	0.291	25%	0.254	S	S	.	.	H	α-helix	trans	-65.6	-49.8	174.3	-171.6	157.6	-172	168.5	0	114.9	T689 R690 P1202 E1203 V1204 L1208 E1209 D1210	T689-K1206 PolarHBondContact O-NZ 3.38Å; R690-K1206 VanDerWaalsContact CZ-CB 3.5Å; P1202-K1206 WeakPolarHBondContact O-CB 3.45Å; P1202-K1206 PolarHBondContact O-N 3.19Å; E1203-K1206 VanDerWaalsContact O-CB 3.31Å; E1203-K1206 WeakPolarHBondContact O-CB 3.22Å; E1203-K1206 PolarHBondContact O-N 3.01Å; V1204-K1206 PolarHBondContact O-N 2.9Å; K1206-L1208 PolarHBondContact O-N 3.36Å; K1206-E1209 PolarHBondContact O-N 2.9Å; K1206-D1210 WeakPolarHBondContact CG-OD2 3.46Å; K1206-D1210 WeakPolarHBondContact O-CB 3.41Å; K1206-D1210 PolarHBondContact O-N 3.39Å
1207	K	92.3	Very high	89.1	Confident	58 Å²	58	47.3 Å²	47.3	25%	0.252	23%	0.233	S	C	.	.	H	α-helix	trans	-58.9	-41.1	177.5	-74.8	-76.2	-164.9	166.4	0	110.6	D1137 F1140 F1141 E1203 V1204 D1210 I1211	D1137-K1207 IonicContact OD1-NZ 3.64Å; D1137-K1207 PolarHBondContact OD1-NZ 3.25Å; F1140-K1207 HydrophobicContact CD1-CB 4.1Å; F1140-K1207 HydrophobicContact CD1-CG 4.23Å; F1140-K1207 HydrophobicContact CE1-CB 3.34Å; F1140-K1207 HydrophobicContact CE1-CG 3.77Å; F1140-K1207 HydrophobicContact CZ-CB 3.79Å; F1140-K1207 HydrophobicContact CZ-CG 3.97Å; F1141-K1207 HydrophobicContact CZ-CB 4.02Å; F1141-K1207 WeakPolarHBondContact CZ-O 3.48Å; E1203-K1207 PolarHBondContact O-N 3.38Å; E1203-K1207 VanDerWaalsContact O-N 3.13Å; V1204-K1207 PolarHBondContact O-N 2.84Å; K1207-D1210 PolarHBondContact O-N 2.87Å; K1207-I1211 PolarHBondContact O-N 3.37Å
1208	L	91.7	Very high	88.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.2	-49.5	174.8	-68.5	165.2	0	0	0	112.5	F1141 C1179 F1182 V1204 K1206 D1210 I1211 R1212	F1141-L1208 HydrophobicContact CD1-CD2 4.36Å; F1141-L1208 HydrophobicContact CE1-CD2 3.72Å; F1141-L1208 HydrophobicContact CE1-CG 4.26Å; C1179-L1208 HydrophobicContact CB-CD2 3.78Å; F1182-L1208 HydrophobicContact CB-CD1 3.94Å; F1182-L1208 HydrophobicContact CD1-CD1 4.21Å; F1182-L1208 HydrophobicContact CG-CD1 4.38Å; V1204-L1208 HydrophobicContact CG1-CD1 4.37Å; V1204-L1208 PolarHBondContact O-N 2.88Å; K1206-L1208 PolarHBondContact O-N 3.36Å; L1208-D1210 VanDerWaalsContact C-N 3.32Å; L1208-D1210 PolarHBondContact O-N 2.93Å; L1208-I1211 VanDerWaalsContact O-CG2 3.31Å; L1208-I1211 WeakPolarHBondContact O-CG2 3.43Å; L1208-R1212 WeakPolarHBondContact O-CB 3.43Å; L1208-R1212 PolarHBondContact O-N 2.85Å
1209	E	88.2	Confident	88.5	Confident	20 Å²	20	43.2 Å²	43.2	9%	0.093	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-39.2	178.3	-166.9	-175.7	176.4	0	0	111.9	R676 R690 R692 S1205 K1206 T1213	R676-E1209 IonicContact CZ-OE1 2.82Å; R676-E1209 IonicContact NH1-OE1 2.99Å; R676-E1209 PolarHBondContact NH1-OE1 3.16Å; R676-E1209 VanDerWaalsContact NH1-OE1 3.14Å; R676-E1209 IonicContact NH2-OE1 3.77Å; R676-E1209 PolarHBondContact NH2-OE1 3.35Å; R676-E1209 IonicContact NH2-OE2 2.71Å; R676-E1209 PolarHBondContact NH2-OE2 2.96Å; R676-E1209 VanDerWaalsContact NH2-OE2 3.13Å; R690-E1209 IonicContact CZ-OE2 3.01Å; R690-E1209 IonicContact NH1-OE2 3.88Å; R690-E1209 PolarHBondContact NH1-OE2 3.11Å; R692-E1209 PolarHBondContact NH2-O 3.28Å; S1205-E1209 WeakPolarHBondContact O-CB 3.44Å; S1205-E1209 PolarHBondContact O-N 3.49Å; K1206-E1209 PolarHBondContact O-N 2.9Å; E1209-T1213 PolarHBondContact O-N 3.25Å; E1209-T1213 PolarHBondContact O-OG1 2.91Å
1210	D	88.9	Confident	88.2	Confident	44 Å²	44	40 Å²	40	24%	0.235	20%	0.2	C	C	.	.	H	α-helix	trans	-73.5	-39.9	-176.1	-75.8	-21.4	0	0	0	113.5	R692 K1206 K1207 L1208 R1212 R1214	R692-D1210 IonicContact CZ-OD1 3.79Å; R692-D1210 IonicContact NH1-OD1 3.01Å; R692-D1210 PolarHBondContact NH1-OD1 3.25Å; R692-D1210 VanDerWaalsContact NH1-OD1 3.09Å; R692-D1210 IonicContact NH2-OD1 3.1Å; R692-D1210 PolarHBondContact NH2-OD1 3.48Å; R692-D1210 VanDerWaalsContact NH2-OD1 3.08Å; K1206-D1210 WeakPolarHBondContact CG-OD2 3.46Å; K1206-D1210 WeakPolarHBondContact O-CB 3.41Å; K1206-D1210 PolarHBondContact O-N 3.39Å; K1207-D1210 PolarHBondContact O-N 2.87Å; L1208-D1210 VanDerWaalsContact C-N 3.32Å; L1208-D1210 PolarHBondContact O-N 2.93Å; D1210-R1212 VanDerWaalsContact C-N 3.28Å; D1210-R1212 PolarHBondContact O-N 3.41Å; D1210-R1214 VanDerWaalsContact O-CB 3.22Å; D1210-R1214 WeakPolarHBondContact O-CB 3.3Å; D1210-R1214 PolarHBondContact O-N 2.99Å
1211	I	89.8	Confident	87.9	Confident	17 Å²	17	38.4 Å²	38.4	9%	0.087	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-37.6	174.6	-167.1	166.8	0	0	0	110.7	Y4 V1130 F1132 F1141 K1207 L1208 Y1215	Y4-I1211 HydrophobicContact CD1-CD1 3.78Å; Y4-I1211 HydrophobicContact CD1-CG1 4.34Å; Y4-I1211 HydrophobicContact CD2-CD1 4.16Å; Y4-I1211 HydrophobicContact CE1-CD1 4.25Å; Y4-I1211 HydrophobicContact CE1-CG2 4.02Å; Y4-I1211 HydrophobicContact CG-CD1 3.72Å; V1130-I1211 HydrophobicContact CG1-CG1 4.44Å; F1132-I1211 HydrophobicContact CE1-CD1 3.97Å; F1132-I1211 HydrophobicContact CZ-CD1 4.42Å; F1141-I1211 HydrophobicContact CD2-CD1 4.3Å; F1141-I1211 HydrophobicContact CE1-CG2 4.22Å; F1141-I1211 HydrophobicContact CE2-CB 4.32Å; F1141-I1211 HydrophobicContact CE2-CD1 3.8Å; F1141-I1211 HydrophobicContact CE2-CG2 4.35Å; F1141-I1211 HydrophobicContact CZ-CB 4.04Å; F1141-I1211 HydrophobicContact CZ-CD1 4.16Å; F1141-I1211 HydrophobicContact CZ-CG2 3.66Å; K1207-I1211 PolarHBondContact O-N 3.37Å; L1208-I1211 VanDerWaalsContact O-CG2 3.31Å; L1208-I1211 WeakPolarHBondContact O-CG2 3.43Å; I1211-Y1215 HydrophobicContact CG1-CD2 4.35Å; I1211-Y1215 HydrophobicContact CG1-CE2 4.36Å; I1211-Y1215 WeakPolarHBondContact O-CD2 3.49Å
1212	R	86.3	Confident	87.7	Confident	35 Å²	35	38.5 Å²	38.5	13%	0.132	18%	0.184	C	C	.	.	H	α-helix	trans	-64.4	-53.8	178	-178.3	178.8	72.3	166.7	-1.9	111.9	L6 L1208 D1210 R1214 Y1215 A1216 F1217	L6-R1212 HydrophobicContact CD2-CB 4.28Å; L6-R1212 HydrophobicContact CD2-CG 3.94Å; L1208-R1212 WeakPolarHBondContact O-CB 3.43Å; L1208-R1212 PolarHBondContact O-N 2.85Å; D1210-R1212 VanDerWaalsContact C-N 3.28Å; D1210-R1212 PolarHBondContact O-N 3.41Å; R1212-R1214 PolarHBondContact O-N 3.11Å; R1212-Y1215 PolarHBondContact O-N 2.97Å; R1212-A1216 WeakPolarHBondContact O-CB 3.43Å; R1212-A1216 PolarHBondContact O-N 3.01Å; R1212-F1217 HydrophobicContact CG-CD2 3.58Å; R1212-F1217 HydrophobicContact CG-CE2 3.48Å; R1212-F1217 VanDerWaalsContact CG-CE2 3.48Å
1213	T	84.2	Confident	87.7	Confident	27 Å²	27	37.1 Å²	37.1	17%	0.166	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-43.4	179.1	-60.4	0	0	0	0	111.4	R692 I1110 E1209 Y1215 F1217	R692-T1213 VanDerWaalsContact CZ-OG1 3.31Å; R692-T1213 PolarHBondContact NE-OG1 2.96Å; R692-T1213 VanDerWaalsContact NH2-CB 3.29Å; R692-T1213 PolarHBondContact NH2-OG1 3.48Å; I1110-T1213 WeakPolarHBondContact CD1-O 3.36Å; E1209-T1213 PolarHBondContact O-N 3.25Å; E1209-T1213 PolarHBondContact O-OG1 2.91Å; T1213-Y1215 PolarHBondContact O-N 3.09Å; T1213-F1217 WeakPolarHBondContact CG2-O 3.24Å; T1213-F1217 PolarHBondContact O-N 2.88Å
1214	R	84.5	Confident	87.4	Confident	118 Å²	118	33.9 Å²	33.9	45%	0.445	16%	0.155	S	C	.	.	H	α-helix	trans	-58.4	-26.9	-175.2	-174.4	-177.5	-60.3	171.2	3.3	114.3	I1110 D1210 R1212	I1110-R1214 WeakPolarHBondContact CD1-O 3.31Å; D1210-R1214 VanDerWaalsContact O-CB 3.22Å; D1210-R1214 WeakPolarHBondContact O-CB 3.3Å; D1210-R1214 PolarHBondContact O-N 2.99Å; R1212-R1214 PolarHBondContact O-N 3.11Å
1215	Y	84.8	Confident	86.9	Confident	7 Å²	7	36.5 Å²	36.5	3%	0.027	17%	0.167	C	C	.	.	H	α-helix	trans	-117.1	-26	-174.9	-66.7	-93.4	0	0	0	114.3	S1114 V1130 P1131 I1211 R1212 T1213	S1114-Y1215 VanDerWaalsContact CB-CE1 3.47Å; V1130-Y1215 HydrophobicContact CB-CD1 4.34Å; V1130-Y1215 HydrophobicContact CB-CD2 4.42Å; V1130-Y1215 HydrophobicContact CB-CG 4.25Å; V1130-Y1215 HydrophobicContact CG1-CD1 3.6Å; V1130-Y1215 HydrophobicContact CG1-CD2 3.39Å; V1130-Y1215 HydrophobicContact CG1-CE1 3.47Å; V1130-Y1215 VanDerWaalsContact CG1-CE1 3.47Å; V1130-Y1215 HydrophobicContact CG1-CE2 3.29Å; V1130-Y1215 HydrophobicContact CG1-CG 3.54Å; V1130-Y1215 HydrophobicContact CG2-CD1 4.04Å; V1130-Y1215 HydrophobicContact CG2-CD2 4.17Å; V1130-Y1215 HydrophobicContact CG2-CG 3.71Å; P1131-Y1215 PolarHBondContact O-OH 3.24Å; I1211-Y1215 HydrophobicContact CG1-CD2 4.35Å; I1211-Y1215 HydrophobicContact CG1-CE2 4.36Å; I1211-Y1215 WeakPolarHBondContact O-CD2 3.49Å; R1212-Y1215 PolarHBondContact O-N 2.97Å; T1213-Y1215 PolarHBondContact O-N 3.09Å
1216	A	80.2	Confident	86.6	Confident	6 Å²	6	37.4 Å²	37.4	5%	0.05	17%	0.167	C	C	.	.	H	α-helix	trans	-116.4	-31.1	-171.1	0	0	0	0	0	115.5	L8 R1212	L8-A1216 HydrophobicContact CD1-CB 4.45Å; L8-A1216 HydrophobicContact CD2-CB 3.53Å; R1212-A1216 WeakPolarHBondContact O-CB 3.43Å; R1212-A1216 PolarHBondContact O-N 3.01Å
1217	F	79.2	Confident	86.4	Confident	50 Å²	50	34.7 Å²	34.7	22%	0.219	16%	0.155	C	C	.	.			trans	-133.7	0	-165.1	-56.8	-45	0	0	0	115.6	L8 H440 V773 R1212 T1213	L8-F1217 HydrophobicContact CD2-CZ 4.07Å; H440-F1217 AromaticContact CD2-CD1 3.68Å; H440-F1217 AromaticContact CE1-CD1 3.58Å; H440-F1217 PolarHBondContact CE1-OXT 3.15Å; H440-F1217 AromaticContact NE2-CD1 3.22Å; H440-F1217 WeakPolarHBondContact NE2-CD1 3.39Å; H440-F1217 AromaticContact NE2-CE1 3.95Å; H440-F1217 AromaticContact NE2-CG 3.89Å; V773-F1217 HydrophobicContact CG1-CD1 4.34Å; V773-F1217 HydrophobicContact CG1-CE1 3.29Å; V773-F1217 HydrophobicContact CG1-CZ 3.7Å; V773-F1217 HydrophobicContact CG2-CZ 4.32Å; R1212-F1217 HydrophobicContact CG-CD2 3.58Å; R1212-F1217 HydrophobicContact CG-CE2 3.48Å; R1212-F1217 VanDerWaalsContact CG-CE2 3.48Å; T1213-F1217 WeakPolarHBondContact CG2-O 3.24Å; T1213-F1217 PolarHBondContact O-N 2.88Å

Retrieved 1,217 of 1,217 residues in 512.1 ms (Link to these results)

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