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Peptidyl-prolyl cis-trans isomerase

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession G4VFI9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 164 aa.

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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	54.8	Low	81.9	Confident	183 Å²	183	67 Å²	67	90%	0.901	37%	0.373	S	S	*	.				0	125.4	0	-63	-172.3	-149.5	0	0	106.5	D5 Q6	M1-D5 HydrophobicContact CB-CB 4.17Å; M1-Q6 HydrophobicContact CB-CG 4.32Å; M1-Q6 HydrophobicContact SD-CG 4.26Å; M1-Q6 PolarHBondContact SD-NE2 3.48Å
2	S	59.5	Low	83.3	Confident	55 Å²	55	61.4 Å²	61.4	39%	0.385	34%	0.342	S	S	.	.			trans	-72.5	161.6	177.6	70.3	0	0	0	0	110.1	Q4 D5 Q6	S2-Q4 PolarHBondContact O-N 3.31Å; S2-Q4 VanDerWaalsContact O-N 3.07Å; S2-Q4 PolarHBondContact OG-N 3.2Å; S2-D5 PolarHBondContact N-OD2 3.46Å; S2-D5 WeakPolarHBondContact O-CB 3.48Å; S2-D5 PolarHBondContact O-N 3.2Å; S2-D5 VanDerWaalsContact OG-CG 3.23Å; S2-D5 PolarHBondContact OG-N 3.17Å; S2-D5 PolarHBondContact OG-OD2 3.16Å; S2-Q6 PolarHBondContact O-N 2.65Å
3	A	61.1	Low	84.4	Confident	69 Å²	69	61.1 Å²	61.1	57%	0.57	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-13.2	171.1	0	0	0	0	0	113.1	N162	A3-N162 PolarHBondContact O-ND2 3.26Å
4	Q	64.8	Low	85.4	Confident	172 Å²	172	57.4 Å²	57.4	80%	0.804	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-26.4	171.2	-63.8	178.7	8.5	0	0	112.1	S2	S2-Q4 PolarHBondContact O-N 3.31Å; S2-Q4 VanDerWaalsContact O-N 3.07Å; S2-Q4 PolarHBondContact OG-N 3.2Å
5	D	80.7	Confident	86.2	Confident	88 Å²	88	58 Å²	58	47%	0.471	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-21.1	178.1	-54.5	-43	0	0	0	112.3	M1 S2	M1-D5 HydrophobicContact CB-CB 4.17Å; S2-D5 PolarHBondContact N-OD2 3.46Å; S2-D5 WeakPolarHBondContact O-CB 3.48Å; S2-D5 PolarHBondContact O-N 3.2Å; S2-D5 VanDerWaalsContact OG-CG 3.23Å; S2-D5 PolarHBondContact OG-N 3.17Å; S2-D5 PolarHBondContact OG-OD2 3.16Å
6	Q	93.8	Very high	86.8	Confident	64 Å²	64	58.1 Å²	58.1	30%	0.299	32%	0.319	S	S	.	.	S	Bend	trans	-129	70.2	-178.8	-64.6	-169.3	-19.6	0	0	111.3	M1 S2 A8 W25	M1-Q6 HydrophobicContact CB-CG 4.32Å; M1-Q6 HydrophobicContact SD-CG 4.26Å; M1-Q6 PolarHBondContact SD-NE2 3.48Å; S2-Q6 PolarHBondContact O-N 2.65Å; Q6-A8 PolarHBondContact O-N 2.88Å; Q6-W25 HydrophobicContact CB-CD2 3.72Å; Q6-W25 HydrophobicContact CB-CE3 4.06Å; Q6-W25 HydrophobicContact CB-CG 4.07Å; Q6-W25 HydrophobicContact CB-CH2 4.42Å; Q6-W25 HydrophobicContact CB-CZ2 4.18Å; Q6-W25 HydrophobicContact CB-CZ3 4.37Å; Q6-W25 HydrophobicContact CG-CD2 3.8Å; Q6-W25 HydrophobicContact CG-CE3 3.61Å; Q6-W25 HydrophobicContact CG-CG 4.37Å; Q6-W25 HydrophobicContact CG-CH2 4.29Å; Q6-W25 HydrophobicContact CG-CZ3 3.85Å
7	P	95.3	Very high	87.4	Confident	11 Å²	11	56.2 Å²	56.2	7%	0.071	32%	0.316	C	S	.	.			trans	-58.2	131.6	178.7	23.9	-35.4	0	0	0	111.3	F9 W25 A36 T160 N162	P7-F9 PolarHBondContact O-N 2.64Å; P7-W25 HydrophobicContact CG-CZ2 4.03Å; P7-W25 PolarHBondContact O-NE1 3.47Å; P7-A36 HydrophobicContact CG-CB 3.8Å; P7-T160 HydrophobicContact CB-CG2 4.21Å; P7-T160 HydrophobicContact CG-CG2 3.71Å; P7-N162 WeakPolarHBondContact CA-OD1 3.21Å
8	A	96.3	Very high	88	Confident	35 Å²	35	56.7 Å²	56.7	29%	0.289	32%	0.32	S	S	.	.	S	Bend	trans	-63	-32.1	-178.6	0	0	0	0	0	112.5	Q6 L23 N162	Q6-A8 PolarHBondContact O-N 2.88Å; A8-L23 PolarHBondContact O-N 3.43Å; A8-N162 PolarHBondContact N-OD1 2.78Å
9	F	98.2	Very high	88.6	Confident	31 Å²	31	53.7 Å²	53.7	14%	0.136	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	155	-175	-50.3	-85.1	0	0	0	113.9	P7 T20 I21 E22 A129 T160 T161 V164	P7-F9 PolarHBondContact O-N 2.64Å; F9-T20 HydrophobicContact CB-CG2 3.83Å; F9-T20 HydrophobicContact CD1-CG2 3.85Å; F9-T20 HydrophobicContact CG-CG2 4.03Å; F9-I21 CarbonylContact C-O 3.48Å; F9-I21 WeakPolarHBondContact CA-O 3.07Å; F9-E22 HydrophobicContact CD1-CB 3.92Å; F9-E22 HydrophobicContact CD1-CG 4.48Å; F9-E22 HydrophobicContact CE1-CB 3.83Å; F9-E22 HydrophobicContact CE1-CG 4.08Å; F9-A129 HydrophobicContact CD1-CB 4.15Å; F9-A129 HydrophobicContact CE1-CB 3.92Å; F9-T160 WeakPolarHBondContact O-CA 3.44Å; F9-T161 HydrophobicContact CB-CG2 3.75Å; F9-T161 PolarHBondContact N-O 2.93Å; F9-T161 PolarHBondContact O-N 3.15Å; F9-V164 HydrophobicContact CD1-CG2 4.17Å; F9-V164 HydrophobicContact CD2-CG2 4.18Å; F9-V164 HydrophobicContact CE1-CG2 3.72Å; F9-V164 HydrophobicContact CE2-CG2 3.73Å; F9-V164 HydrophobicContact CG-CG2 4.4Å; F9-V164 HydrophobicContact CZ-CG2 3.48Å; F9-V164 VanDerWaalsContact CZ-CG2 3.48Å
10	V	98.3	Very high	89.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.9	162.4	175.3	0	0	0	0	108.6	L12 I21 L23 F35 A36 A39 N159 T160	V10-L12 HydrophobicContact CG1-CD2 3.9Å; V10-I21 PolarHBondContact N-O 2.93Å; V10-I21 PolarHBondContact O-N 2.83Å; V10-L23 HydrophobicContact CG2-CD1 3.91Å; V10-L23 HydrophobicContact CG2-CD2 4.36Å; V10-L23 HydrophobicContact CG2-CG 4.35Å; V10-F35 HydrophobicContact CB-CD1 4.2Å; V10-F35 HydrophobicContact CB-CE1 3.67Å; V10-F35 HydrophobicContact CG1-CD1 4.36Å; V10-F35 HydrophobicContact CG1-CE1 3.65Å; V10-F35 HydrophobicContact CG1-CZ 4.22Å; V10-F35 HydrophobicContact CG2-CD1 3.79Å; V10-F35 HydrophobicContact CG2-CE1 3.81Å; V10-A36 HydrophobicContact CG2-CB 4.46Å; V10-A39 HydrophobicContact CG1-CB 3.79Å; V10-N159 CarbonylContact C-O 3.51Å; V10-N159 VanDerWaalsContact CA-O 3.3Å; V10-N159 WeakPolarHBondContact CA-O 3.36Å; V10-T160 HydrophobicContact CG2-CG2 4.24Å
11	V	98.3	Very high	89.5	Confident	29 Å²	29	48.8 Å²	48.8	18%	0.176	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.9	175.9	-178.9	0	0	0	0	108.6	T18 T20 A158 N159 T161	V11-T18 HydrophobicContact CG1-CG2 3.35Å; V11-T20 HydrophobicContact CG2-CG2 4.24Å; V11-A158 WeakPolarHBondContact O-CA 3.38Å; V11-N159 PolarHBondContact N-O 3.49Å; V11-N159 PolarHBondContact O-N 2.72Å; V11-T161 HydrophobicContact CG2-CG2 3.57Å
12	L	98.5	Very high	91.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	102.8	172.6	-53.4	-177.1	0	0	0	108.4	V10 T14 T18 I19 I21 F35 F108 I155 A158	V10-L12 HydrophobicContact CG1-CD2 3.9Å; L12-T14 HydrophobicContact CB-CG2 4.49Å; L12-T14 PolarHBondContact O-N 3.25Å; L12-T18 WeakPolarHBondContact O-CA 3.43Å; L12-I19 HydrophobicContact CB-CB 4.37Å; L12-I19 PolarHBondContact N-O 3.16Å; L12-I19 PolarHBondContact O-N 3.18Å; L12-I21 HydrophobicContact CD1-CD1 3.62Å; L12-I21 HydrophobicContact CG-CD1 4.16Å; L12-F35 HydrophobicContact CD2-CZ 4.46Å; L12-F108 HydrophobicContact CD1-CE2 4.2Å; L12-F108 HydrophobicContact CD1-CZ 3.95Å; L12-I155 HydrophobicContact CB-CG2 4.47Å; L12-I155 HydrophobicContact CD1-CD1 4.29Å; L12-I155 HydrophobicContact CD2-CD1 4.35Å; L12-I155 HydrophobicContact CD2-CG2 4.32Å; L12-A158 HydrophobicContact CD2-CB 3.78Å
13	D	98.3	Very high	93.4	Very high	57 Å²	57	40.5 Å²	40.5	31%	0.305	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	110.4	169.8	-67.3	-44.2	0	0	0	108.2	T18 I155 I156 R157	D13-T18 WeakPolarHBondContact OD1-CG2 3.18Å; D13-T18 PolarHBondContact OD1-OG1 2.79Å; D13-I155 CarbonylContact O-C 3.6Å; D13-I156 WeakPolarHBondContact O-CA 3.31Å; D13-I156 WeakPolarHBondContact O-CB 3.29Å; D13-I156 PolarHBondContact O-N 3.02Å; D13-R157 HydrophobicContact CB-CB 4.42Å; D13-R157 PolarHBondContact N-O 2.98Å; D13-R157 PolarHBondContact O-N 2.91Å
14	T	98.1	Very high	95.2	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.055	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	164.1	178.1	81.6	0	0	0	0	110.4	L12 Q16 G17 I19 F49 K154	L12-T14 HydrophobicContact CB-CG2 4.49Å; L12-T14 PolarHBondContact O-N 3.25Å; T14-Q16 PolarHBondContact O-N 3.3Å; T14-Q16 VanDerWaalsContact O-N 3.1Å; T14-Q16 PolarHBondContact OG1-N 2.76Å; T14-G17 WeakPolarHBondContact CB-O 3.46Å; T14-G17 PolarHBondContact N-O 2.8Å; T14-G17 PolarHBondContact O-N 2.9Å; T14-G17 PolarHBondContact OG1-N 3.38Å; T14-G17 PolarHBondContact OG1-O 2.9Å; T14-I19 HydrophobicContact CG2-CD1 4.12Å; T14-F49 HydrophobicContact CG2-CE2 3.99Å; T14-K154 WeakPolarHBondContact CA-O 3.35Å; T14-K154 WeakPolarHBondContact CB-O 3.41Å
15	N	96.8	Very high	96.7	Very high	67 Å²	67	32.4 Å²	32.4	36%	0.358	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-1	169.8	66.1	-32.1	0	0	0	114.2	L152 I153 K154 I156	N15-L152 PolarHBondContact ND2-O 3.21Å; N15-I153 WeakPolarHBondContact OD1-CA 3.42Å; N15-K154 PolarHBondContact N-O 2.92Å; N15-K154 PolarHBondContact OD1-N 3.03Å; N15-K154 PolarHBondContact OD1-O 2.81Å; N15-I156 HydrophobicContact CB-CD1 4.12Å; N15-I156 HydrophobicContact CB-CG1 4.47Å
16	Q	95.7	Very high	97.5	Very high	59 Å²	59	37.3 Å²	37.3	28%	0.276	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-0.3	177.2	-64.7	-68.6	-25.9	0	0	112.7	T14 V134 R137 L138 I153	T14-Q16 PolarHBondContact O-N 3.3Å; T14-Q16 VanDerWaalsContact O-N 3.1Å; T14-Q16 PolarHBondContact OG1-N 2.76Å; Q16-V134 HydrophobicContact CB-CG1 4.05Å; Q16-R137 PolarHBondContact O-NH2 3.37Å; Q16-L138 HydrophobicContact CB-CD2 3.67Å; Q16-L138 HydrophobicContact CG-CD2 3.52Å; Q16-I153 HydrophobicContact CG-CG2 4.2Å
17	G	97.7	Very high	97.7	Very high	27 Å²	27	36.9 Å²	36.9	28%	0.278	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	124.1	177.7	-176.9	0	0	0	0	0	113	T14	T14-G17 WeakPolarHBondContact CB-O 3.46Å; T14-G17 PolarHBondContact N-O 2.8Å; T14-G17 PolarHBondContact O-N 2.9Å; T14-G17 PolarHBondContact OG1-N 3.38Å; T14-G17 PolarHBondContact OG1-O 2.9Å
18	T	98.2	Very high	97.8	Very high	64 Å²	64	36.3 Å²	36.3	39%	0.393	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	137	-176.1	-56.7	0	0	0	0	111.9	V11 L12 D13 G131	V11-T18 HydrophobicContact CG1-CG2 3.35Å; L12-T18 WeakPolarHBondContact O-CA 3.43Å; D13-T18 WeakPolarHBondContact OD1-CG2 3.18Å; D13-T18 PolarHBondContact OD1-OG1 2.79Å; T18-G131 WeakPolarHBondContact O-CA 3.49Å
19	I	98.5	Very high	97.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.9	173.1	-57.9	165.4	0	0	0	107.9	L12 T14 I21 I110 V128 V134 V135 L138	L12-I19 HydrophobicContact CB-CB 4.37Å; L12-I19 PolarHBondContact N-O 3.16Å; L12-I19 PolarHBondContact O-N 3.18Å; T14-I19 HydrophobicContact CG2-CD1 4.12Å; I19-I21 HydrophobicContact CG2-CG1 4.25Å; I19-I110 HydrophobicContact CG2-CD1 4.43Å; I19-V128 HydrophobicContact CG2-CG1 3.98Å; I19-V128 HydrophobicContact CG2-CG2 4.1Å; I19-V134 HydrophobicContact CD1-CB 4.48Å; I19-V134 HydrophobicContact CD1-CG1 4.06Å; I19-V134 HydrophobicContact CG1-CB 3.98Å; I19-V134 HydrophobicContact CG1-CG1 3.92Å; I19-V135 HydrophobicContact CD1-CG2 3.72Å; I19-V135 HydrophobicContact CG1-CG2 4Å; I19-V135 HydrophobicContact CG2-CG2 4.08Å; I19-L138 HydrophobicContact CD1-CD1 4.06Å
20	T	98.5	Very high	97.8	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126	174.4	-53	0	0	0	0	109.2	F9 V11 V128 A129 S130	F9-T20 HydrophobicContact CB-CG2 3.83Å; F9-T20 HydrophobicContact CD1-CG2 3.85Å; F9-T20 HydrophobicContact CG-CG2 4.03Å; V11-T20 HydrophobicContact CG2-CG2 4.24Å; T20-V128 CarbonylContact O-C 3.38Å; T20-V128 WeakPolarHBondContact O-CA 3.34Å; T20-A129 HydrophobicContact CG2-CB 4.43Å; T20-A129 PolarHBondContact O-N 3.21Å; T20-S130 WeakPolarHBondContact CB-OG 3.22Å; T20-S130 PolarHBondContact N-O 2.73Å; T20-S130 PolarHBondContact O-N 3.42Å; T20-S130 PolarHBondContact OG1-OG 2.87Å
21	I	98.7	Very high	97.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.9	-179.6	-62.1	169.4	0	0	0	108.5	F9 V10 L12 I19 L23 F35 V94 I110 R127	F9-I21 CarbonylContact C-O 3.48Å; F9-I21 WeakPolarHBondContact CA-O 3.07Å; V10-I21 PolarHBondContact N-O 2.93Å; V10-I21 PolarHBondContact O-N 2.83Å; L12-I21 HydrophobicContact CD1-CD1 3.62Å; L12-I21 HydrophobicContact CG-CD1 4.16Å; I19-I21 HydrophobicContact CG2-CG1 4.25Å; I21-L23 HydrophobicContact CG2-CD2 4.07Å; I21-F35 HydrophobicContact CD1-CE1 4.14Å; I21-F35 HydrophobicContact CD1-CZ 3.96Å; I21-V94 HydrophobicContact CD1-CG1 4.28Å; I21-V94 HydrophobicContact CD1-CG2 4.13Å; I21-V94 HydrophobicContact CG1-CG2 4.07Å; I21-V94 HydrophobicContact CG2-CB 4.24Å; I21-V94 HydrophobicContact CG2-CG1 4.46Å; I21-V94 HydrophobicContact CG2-CG2 3.76Å; I21-I110 HydrophobicContact CD1-CD1 4.43Å; I21-R127 CarbonylContact C-O 3.57Å; I21-R127 WeakPolarHBondContact CA-O 3.36Å
22	E	98.4	Very high	97.8	Very high	53 Å²	53	39 Å²	39	25%	0.248	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.2	167.8	179.5	-178.4	170.8	0	0	109.9	F9 Y24 G126 R127 A129	F9-E22 HydrophobicContact CD1-CB 3.92Å; F9-E22 HydrophobicContact CD1-CG 4.48Å; F9-E22 HydrophobicContact CE1-CB 3.83Å; F9-E22 HydrophobicContact CE1-CG 4.08Å; E22-Y24 HydrophobicContact CG-CE1 4.47Å; E22-G126 CarbonylContact O-C 3.52Å; E22-G126 WeakPolarHBondContact O-CA 2.97Å; E22-R127 HydrophobicContact CB-CG 4.37Å; E22-R127 PolarHBondContact N-O 3.26Å; E22-R127 PolarHBondContact O-N 3.39Å; E22-R127 IonicContact OE1-CZ 3.78Å; E22-R127 IonicContact OE1-NH2 2.74Å; E22-R127 PolarHBondContact OE1-NH2 3.08Å; E22-R127 IonicContact OE2-CZ 3.48Å; E22-R127 IonicContact OE2-NE 2.99Å; E22-R127 PolarHBondContact OE2-NE 2.66Å; E22-R127 IonicContact OE2-NH1 3.89Å; E22-R127 IonicContact OE2-NH2 3.77Å; E22-R127 PolarHBondContact OE2-NH2 2.7Å; E22-A129 HydrophobicContact CB-CB 4.11Å
23	L	98.3	Very high	97.8	Very high	11 Å²	11	42.5 Å²	42.5	6%	0.058	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	135.5	-176.8	-61.6	-172.1	0	0	0	112.6	A8 V10 I21 W25 C32 F35 A36 F125	A8-L23 PolarHBondContact O-N 3.43Å; V10-L23 HydrophobicContact CG2-CD1 3.91Å; V10-L23 HydrophobicContact CG2-CD2 4.36Å; V10-L23 HydrophobicContact CG2-CG 4.35Å; I21-L23 HydrophobicContact CG2-CD2 4.07Å; L23-W25 HydrophobicContact CD1-CZ2 3.83Å; L23-W25 PolarHBondContact O-N 2.79Å; L23-C32 HydrophobicContact CB-CB 4.38Å; L23-C32 HydrophobicContact CD1-CB 4.34Å; L23-F35 HydrophobicContact CD2-CD1 3.88Å; L23-F35 HydrophobicContact CD2-CE1 4.35Å; L23-A36 HydrophobicContact CD1-CB 4.05Å; L23-F125 HydrophobicContact CD2-CD2 4.04Å; L23-F125 HydrophobicContact CD2-CE2 4.17Å
24	Y	97.9	Very high	97.8	Very high	42 Å²	42	39.8 Å²	39.8	17%	0.165	20%	0.201	C	C	.	.			trans	-94	60	-179.4	-63.4	-16.9	0	0	0	112.7	E22 K26 H27 A28 C32 L86 I124 F125 R127	E22-Y24 HydrophobicContact CG-CE1 4.47Å; Y24-K26 PolarHBondContact O-N 2.96Å; Y24-H27 PolarHBondContact O-N 3.21Å; Y24-A28 PolarHBondContact O-N 2.94Å; Y24-C32 VanDerWaalsContact C-SG 3.54Å; Y24-L86 HydrophobicContact CD2-CD1 3.97Å; Y24-L86 HydrophobicContact CD2-CD2 4.1Å; Y24-L86 HydrophobicContact CE2-CD2 4.06Å; Y24-I124 HydrophobicContact CD2-CG2 4.22Å; Y24-I124 HydrophobicContact CE2-CG2 4.17Å; Y24-F125 PolarHBondContact N-O 2.92Å; Y24-R127 HydrophobicContact CE1-CG 4.13Å; Y24-R127 WeakPolarHBondContact OH-CB 3.45Å; Y24-R127 WeakPolarHBondContact OH-CD 3.17Å; Y24-R127 WeakPolarHBondContact OH-CG 3.24Å; Y24-R127 PolarHBondContact OH-NH1 3.44Å
25	W	97	Very high	97.8	Very high	29 Å²	29	39.4 Å²	39.4	11%	0.11	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-32.8	-176.9	-72.2	99.1	0	0	0	115.3	Q6 P7 L23 P29 C32 L33 A36	Q6-W25 HydrophobicContact CB-CD2 3.72Å; Q6-W25 HydrophobicContact CB-CE3 4.06Å; Q6-W25 HydrophobicContact CB-CG 4.07Å; Q6-W25 HydrophobicContact CB-CH2 4.42Å; Q6-W25 HydrophobicContact CB-CZ2 4.18Å; Q6-W25 HydrophobicContact CB-CZ3 4.37Å; Q6-W25 HydrophobicContact CG-CD2 3.8Å; Q6-W25 HydrophobicContact CG-CE3 3.61Å; Q6-W25 HydrophobicContact CG-CG 4.37Å; Q6-W25 HydrophobicContact CG-CH2 4.29Å; Q6-W25 HydrophobicContact CG-CZ3 3.85Å; P7-W25 HydrophobicContact CG-CZ2 4.03Å; P7-W25 PolarHBondContact O-NE1 3.47Å; L23-W25 HydrophobicContact CD1-CZ2 3.83Å; L23-W25 PolarHBondContact O-N 2.79Å; W25-P29 WeakPolarHBondContact O-CA 3.46Å; W25-P29 WeakPolarHBondContact O-CB 3.18Å; W25-P29 WeakPolarHBondContact O-CD 3.22Å; W25-C32 HydrophobicContact CD2-CB 3.52Å; W25-C32 HydrophobicContact CE3-CB 3.5Å; W25-C32 HydrophobicContact CG-CB 4.17Å; W25-C32 HydrophobicContact CH2-CB 3.96Å; W25-C32 HydrophobicContact CZ2-CB 3.91Å; W25-C32 HydrophobicContact CZ3-CB 3.75Å; W25-L33 HydrophobicContact CH2-CB 4.14Å; W25-L33 HydrophobicContact CH2-CD1 4.38Å; W25-L33 HydrophobicContact CZ3-CB 3.85Å; W25-A36 HydrophobicContact CH2-CB 4.29Å; W25-A36 HydrophobicContact CZ2-CB 4.07Å
26	K	96.6	Very high	97.9	Very high	191 Å²	191	36.4 Å²	36.4	83%	0.83	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-35.7	177.9	-174.5	-177.5	175.5	-170.9	0	112.7	Y24	Y24-K26 PolarHBondContact O-N 2.96Å
27	H	97.7	Very high	97.9	Very high	54 Å²	54	35.2 Å²	35.2	25%	0.25	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-37.2	-173.8	-58.8	101.4	0	0	0	112.4	Y24 H83 L86	Y24-H27 PolarHBondContact O-N 3.21Å; H27-H83 AromaticContact CD2-CD2 3.76Å; H27-H83 AromaticContact CD2-CE1 3.75Å; H27-H83 AromaticContact CD2-CG 3.63Å; H27-H83 AromaticContact CD2-ND1 3.62Å; H27-H83 AromaticContact CD2-NE2 3.82Å; H27-L86 HydrophobicContact CB-CD1 3.55Å; H27-L86 HydrophobicContact CB-CG 4.49Å
28	A	97.7	Very high	97.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.165	C	C	.	.			trans	-133.2	58.8	-174.6	0	0	0	0	0	112.2	Y24 K30 T31 C32 E81 T123 F125	Y24-A28 PolarHBondContact O-N 2.94Å; A28-K30 VanDerWaalsContact C-N 3.35Å; A28-K30 PolarHBondContact O-N 2.82Å; A28-T31 PolarHBondContact O-N 2.88Å; A28-C32 WeakPolarHBondContact O-CB 3.42Å; A28-C32 PolarHBondContact O-N 3.32Å; A28-C32 PolarHBondContact O-SG 2.98Å; A28-E81 VanDerWaalsContact CA-OE2 3.26Å; A28-E81 WeakPolarHBondContact CA-OE2 3.24Å; A28-E81 HydrophobicContact CB-CB 4.09Å; A28-T123 HydrophobicContact CB-CG2 3.93Å; A28-F125 HydrophobicContact CB-CB 3.85Å
29	P	97.2	Very high	97.9	Very high	55 Å²	55	31.1 Å²	31.1	36%	0.357	15%	0.147	S	C	.	.	H	α-helix	trans	-58.6	-39.4	-173.4	22.6	-33.8	0	0	0	113.9	W25 L33 E81	W25-P29 WeakPolarHBondContact O-CA 3.46Å; W25-P29 WeakPolarHBondContact O-CB 3.18Å; W25-P29 WeakPolarHBondContact O-CD 3.22Å; P29-L33 VanDerWaalsContact O-CB 3.29Å; P29-L33 WeakPolarHBondContact O-CB 3.38Å; P29-L33 PolarHBondContact O-N 3.31Å; P29-E81 WeakPolarHBondContact CD-OE1 3.44Å; P29-E81 WeakPolarHBondContact CG-OE1 3.46Å
30	K	97.5	Very high	97.8	Very high	97 Å²	97	37.9 Å²	37.9	42%	0.422	17%	0.172	S	C	.	.	H	α-helix	trans	-71.4	-37.4	-179.9	-64.1	-173.1	74.1	179.1	0	111.4	A28 N34 Y74 E81	A28-K30 VanDerWaalsContact C-N 3.35Å; A28-K30 PolarHBondContact O-N 2.82Å; K30-N34 WeakPolarHBondContact O-CB 3.48Å; K30-N34 PolarHBondContact O-N 3.27Å; K30-Y74 WeakPolarHBondContact CA-OH 3.33Å; K30-Y74 HydrophobicContact CB-CE2 4.43Å; K30-Y74 PolarHBondContact O-OH 3.16Å; K30-E81 WeakPolarHBondContact CB-OE1 3.41Å; K30-E81 PolarHBondContact N-OE1 2.75Å; K30-E81 PolarHBondContact N-OE2 3.26Å
31	T	98.5	Very high	97.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-70.1	-46	178.6	-51.9	0	0	0	0	111	A28 L33 N34 F35 F78 E81 M96 T123 F125	A28-T31 PolarHBondContact O-N 2.88Å; T31-L33 VanDerWaalsContact C-N 3.34Å; T31-L33 PolarHBondContact O-N 2.98Å; T31-N34 WeakPolarHBondContact O-CB 3.42Å; T31-N34 PolarHBondContact O-N 3.41Å; T31-F35 WeakPolarHBondContact O-CB 3.49Å; T31-F35 PolarHBondContact O-N 2.96Å; T31-F78 HydrophobicContact CG2-CE2 4.33Å; T31-F78 HydrophobicContact CG2-CZ 4.16Å; T31-F78 WeakPolarHBondContact OG1-CE2 3.45Å; T31-E81 VanDerWaalsContact CB-OE2 3.29Å; T31-E81 WeakPolarHBondContact CB-OE2 3.39Å; T31-E81 PolarHBondContact N-OE2 3.07Å; T31-E81 PolarHBondContact OG1-OE2 2.98Å; T31-M96 HydrophobicContact CG2-CG 3.39Å; T31-M96 HydrophobicContact CG2-SD 3.73Å; T31-T123 HydrophobicContact CG2-CG2 4.16Å; T31-T123 WeakPolarHBondContact OG1-CG2 3.06Å; T31-F125 HydrophobicContact CG2-CB 3.49Å; T31-F125 VanDerWaalsContact CG2-CB 3.49Å; T31-F125 HydrophobicContact CG2-CD1 3.56Å; T31-F125 HydrophobicContact CG2-CD2 4.25Å; T31-F125 HydrophobicContact CG2-CE1 4.31Å; T31-F125 HydrophobicContact CG2-CG 3.51Å
32	C	98.4	Very high	97.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-44.2	175	-67.6	0	0	0	0	111.2	L23 Y24 W25 A28 N34 F35 A36 F125	L23-C32 HydrophobicContact CB-CB 4.38Å; L23-C32 HydrophobicContact CD1-CB 4.34Å; Y24-C32 VanDerWaalsContact C-SG 3.54Å; W25-C32 HydrophobicContact CD2-CB 3.52Å; W25-C32 HydrophobicContact CE3-CB 3.5Å; W25-C32 HydrophobicContact CG-CB 4.17Å; W25-C32 HydrophobicContact CH2-CB 3.96Å; W25-C32 HydrophobicContact CZ2-CB 3.91Å; W25-C32 HydrophobicContact CZ3-CB 3.75Å; A28-C32 WeakPolarHBondContact O-CB 3.42Å; A28-C32 PolarHBondContact O-N 3.32Å; A28-C32 PolarHBondContact O-SG 2.98Å; C32-N34 PolarHBondContact O-N 2.8Å; C32-F35 PolarHBondContact O-N 2.85Å; C32-A36 VanDerWaalsContact O-CB 3.22Å; C32-A36 WeakPolarHBondContact O-CB 3.43Å; C32-A36 PolarHBondContact O-N 3.21Å; C32-F125 PolarHBondContact SG-O 3.48Å; C32-F125 VanDerWaalsContact SG-O 3.4Å
33	L	97.6	Very high	97.7	Very high	73 Å²	73	46.6 Å²	46.6	38%	0.382	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-46.3	175.5	-177.9	59.3	0	0	0	111.8	W25 P29 T31 E37 I73	W25-L33 HydrophobicContact CH2-CB 4.14Å; W25-L33 HydrophobicContact CH2-CD1 4.38Å; W25-L33 HydrophobicContact CZ3-CB 3.85Å; P29-L33 VanDerWaalsContact O-CB 3.29Å; P29-L33 WeakPolarHBondContact O-CB 3.38Å; P29-L33 PolarHBondContact O-N 3.31Å; T31-L33 VanDerWaalsContact C-N 3.34Å; T31-L33 PolarHBondContact O-N 2.98Å; L33-E37 WeakPolarHBondContact O-CB 3.42Å; L33-E37 PolarHBondContact O-N 2.93Å; L33-I73 HydrophobicContact CD2-CD1 4.43Å; L33-I73 HydrophobicContact CG-CD1 3.92Å
34	N	98.3	Very high	97.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.6	-52.3	176.5	178.9	67.2	0	0	0	111.6	K30 T31 C32 E37 L38 S72 I73 Y74 F78 G105	K30-N34 WeakPolarHBondContact O-CB 3.48Å; K30-N34 PolarHBondContact O-N 3.27Å; T31-N34 WeakPolarHBondContact O-CB 3.42Å; T31-N34 PolarHBondContact O-N 3.41Å; C32-N34 PolarHBondContact O-N 2.8Å; N34-E37 PolarHBondContact O-N 3.14Å; N34-L38 WeakPolarHBondContact O-CB 3.47Å; N34-L38 WeakPolarHBondContact O-CG 3.44Å; N34-L38 PolarHBondContact O-N 2.91Å; N34-S72 VanDerWaalsContact OD1-CA 3.24Å; N34-S72 WeakPolarHBondContact OD1-CA 3.22Å; N34-S72 VanDerWaalsContact OD1-CB 3.32Å; N34-S72 WeakPolarHBondContact OD1-CB 3.2Å; N34-I73 HydrophobicContact CB-CG1 4.29Å; N34-I73 PolarHBondContact OD1-N 2.77Å; N34-Y74 HydrophobicContact CB-CE2 3.9Å; N34-F78 HydrophobicContact CB-CE1 4.24Å; N34-F78 HydrophobicContact CB-CZ 4.31Å; N34-F78 WeakPolarHBondContact ND2-CE1 3.45Å; N34-G105 PolarHBondContact ND2-O 2.75Å
35	F	98.5	Very high	97.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65	-46.4	-176.3	-173.6	-108.1	0	0	0	112.5	V10 L12 I21 L23 T31 C32 L38 A39 Y44 F108 F125	V10-F35 HydrophobicContact CB-CD1 4.2Å; V10-F35 HydrophobicContact CB-CE1 3.67Å; V10-F35 HydrophobicContact CG1-CD1 4.36Å; V10-F35 HydrophobicContact CG1-CE1 3.65Å; V10-F35 HydrophobicContact CG1-CZ 4.22Å; V10-F35 HydrophobicContact CG2-CD1 3.79Å; V10-F35 HydrophobicContact CG2-CE1 3.81Å; L12-F35 HydrophobicContact CD2-CZ 4.46Å; I21-F35 HydrophobicContact CD1-CE1 4.14Å; I21-F35 HydrophobicContact CD1-CZ 3.96Å; L23-F35 HydrophobicContact CD2-CD1 3.88Å; L23-F35 HydrophobicContact CD2-CE1 4.35Å; T31-F35 WeakPolarHBondContact O-CB 3.49Å; T31-F35 PolarHBondContact O-N 2.96Å; C32-F35 PolarHBondContact O-N 2.85Å; F35-L38 PolarHBondContact O-N 3.1Å; F35-A39 WeakPolarHBondContact O-CB 3.3Å; F35-A39 PolarHBondContact O-N 3.35Å; F35-Y44 AromaticContact CD2-CE2 3.65Å; F35-Y44 HydrophobicContact CD2-CE2 3.65Å; F35-Y44 AromaticContact CD2-CZ 3.89Å; F35-Y44 WeakPolarHBondContact CD2-OH 3.29Å; F35-Y44 HydrophobicContact CE2-CD2 4.38Å; F35-Y44 AromaticContact CE2-CE2 3.64Å; F35-Y44 HydrophobicContact CE2-CE2 3.64Å; F35-Y44 AromaticContact CE2-CZ 3.96Å; F35-F108 HydrophobicContact CD2-CD1 4.33Å; F35-F108 AromaticContact CE2-CD1 3.63Å; F35-F108 HydrophobicContact CE2-CD1 3.63Å; F35-F108 HydrophobicContact CE2-CD2 4.4Å; F35-F108 AromaticContact CE2-CE1 3.66Å; F35-F108 HydrophobicContact CE2-CE1 3.66Å; F35-F108 HydrophobicContact CE2-CE2 4.43Å; F35-F108 HydrophobicContact CE2-CG 4.01Å; F35-F108 HydrophobicContact CE2-CZ 4.07Å; F35-F108 HydrophobicContact CZ-CE1 4.35Å; F35-F108 HydrophobicContact CZ-CZ 4.32Å; F35-F125 HydrophobicContact CB-CD2 4.42Å; F35-F125 HydrophobicContact CB-CE2 3.87Å; F35-F125 HydrophobicContact CB-CZ 4.39Å; F35-F125 AromaticContact CD1-CE2 3.58Å; F35-F125 HydrophobicContact CD1-CE2 3.58Å; F35-F125 HydrophobicContact CD1-CZ 4.29Å; F35-F125 AromaticContact CD2-CE2 3.96Å; F35-F125 HydrophobicContact CD2-CE2 3.96Å; F35-F125 AromaticContact CD2-CZ 3.88Å; F35-F125 HydrophobicContact CD2-CZ 3.88Å; F35-F125 HydrophobicContact CE1-CE2 4.03Å; F35-F125 HydrophobicContact CE2-CE2 4.41Å; F35-F125 HydrophobicContact CE2-CZ 4.2Å; F35-F125 HydrophobicContact CG-CD2 4.47Å; F35-F125 AromaticContact CG-CE2 3.52Å; F35-F125 HydrophobicContact CG-CE2 3.52Å; F35-F125 AromaticContact CG-CZ 3.93Å; F35-F125 HydrophobicContact CG-CZ 3.93Å; F35-F125 HydrophobicContact CZ-CE2 4.44Å
36	A	97.9	Very high	97.8	Very high	5 Å²	5	50.6 Å²	50.6	4%	0.041	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-43.4	178.8	0	0	0	0	0	111.9	P7 V10 L23 W25 C32 A39 R40 T160	P7-A36 HydrophobicContact CG-CB 3.8Å; V10-A36 HydrophobicContact CG2-CB 4.46Å; L23-A36 HydrophobicContact CD1-CB 4.05Å; W25-A36 HydrophobicContact CH2-CB 4.29Å; W25-A36 HydrophobicContact CZ2-CB 4.07Å; C32-A36 VanDerWaalsContact O-CB 3.22Å; C32-A36 WeakPolarHBondContact O-CB 3.43Å; C32-A36 PolarHBondContact O-N 3.21Å; A36-A39 PolarHBondContact O-N 3.37Å; A36-R40 WeakPolarHBondContact O-CB 3.44Å; A36-R40 PolarHBondContact O-N 2.95Å; A36-T160 HydrophobicContact CB-CG2 3.93Å; A36-T160 WeakPolarHBondContact O-CG2 3.37Å
37	E	97.3	Very high	97.8	Very high	34 Å²	34	41.9 Å²	41.9	16%	0.159	20%	0.198	C	C	.	.	H	α-helix	trans	-69.9	-38.9	-179.7	179.8	63.6	-175.4	0	0	111.9	L33 N34 A39 R40 R41 I73	L33-E37 WeakPolarHBondContact O-CB 3.42Å; L33-E37 PolarHBondContact O-N 2.93Å; N34-E37 PolarHBondContact O-N 3.14Å; E37-A39 VanDerWaalsContact C-N 3.35Å; E37-R40 PolarHBondContact O-N 2.93Å; E37-R40 IonicContact OE1-CZ 3.16Å; E37-R40 IonicContact OE1-NE 3.57Å; E37-R40 IonicContact OE1-NH2 2.8Å; E37-R40 PolarHBondContact OE1-NH2 3.15Å; E37-R40 IonicContact OE2-CZ 3.79Å; E37-R40 IonicContact OE2-NE 3.89Å; E37-R40 PolarHBondContact OE2-NE 2.98Å; E37-R40 IonicContact OE2-NH2 3.56Å; E37-R40 PolarHBondContact OE2-NH2 2.75Å; E37-R41 WeakPolarHBondContact O-CB 3.38Å; E37-R41 VanDerWaalsContact O-CG 3.25Å; E37-R41 WeakPolarHBondContact O-CG 3.12Å; E37-R41 PolarHBondContact O-N 3.08Å; E37-R41 IonicContact OE1-CZ 2.77Å; E37-R41 IonicContact OE1-NE 2.87Å; E37-R41 PolarHBondContact OE1-NE 2.95Å; E37-R41 IonicContact OE1-NH2 2.69Å; E37-R41 PolarHBondContact OE1-NH2 2.91Å; E37-I73 HydrophobicContact CB-CD1 4.05Å; E37-I73 HydrophobicContact CB-CG2 4Å; E37-I73 HydrophobicContact CG-CB 4.49Å; E37-I73 HydrophobicContact CG-CD1 4.16Å; E37-I73 HydrophobicContact CG-CG2 3.79Å
38	L	98	Very high	97.8	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-61.4	-43.3	172.1	-71.1	173.7	0	0	0	111.3	N34 F35 R41 G42 Y43 Y44 I73	N34-L38 WeakPolarHBondContact O-CB 3.47Å; N34-L38 WeakPolarHBondContact O-CG 3.44Å; N34-L38 PolarHBondContact O-N 2.91Å; F35-L38 PolarHBondContact O-N 3.1Å; L38-R41 PolarHBondContact O-N 3.29Å; L38-G42 PolarHBondContact O-N 2.8Å; L38-Y43 HydrophobicContact CB-CD1 4.32Å; L38-Y43 HydrophobicContact CB-CG 4.34Å; L38-Y43 HydrophobicContact CD1-CD1 4.37Å; L38-Y43 HydrophobicContact CD2-CD1 3.86Å; L38-Y43 HydrophobicContact CD2-CD2 3.87Å; L38-Y43 HydrophobicContact CD2-CE1 4.29Å; L38-Y43 HydrophobicContact CD2-CE2 4.28Å; L38-Y43 HydrophobicContact CD2-CG 3.62Å; L38-Y43 HydrophobicContact CG-CD1 4.4Å; L38-Y43 HydrophobicContact CG-CG 4.47Å; L38-Y43 WeakPolarHBondContact O-CB 3.44Å; L38-Y43 PolarHBondContact O-N 3.4Å; L38-Y44 HydrophobicContact CB-CD2 4.21Å; L38-Y44 HydrophobicContact CB-CE2 3.58Å; L38-Y44 HydrophobicContact CD1-CE2 4.38Å; L38-Y44 WeakPolarHBondContact CD1-OH 3.41Å; L38-I73 HydrophobicContact CD2-CG2 3.8Å; L38-I73 HydrophobicContact CG-CG2 3.81Å
39	A	98	Very high	97.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-48.1	174.1	0	0	0	0	0	111.8	V10 F35 A36 E37 R41 G42 Y44 A158	V10-A39 HydrophobicContact CG1-CB 3.79Å; F35-A39 WeakPolarHBondContact O-CB 3.3Å; F35-A39 PolarHBondContact O-N 3.35Å; A36-A39 PolarHBondContact O-N 3.37Å; E37-A39 VanDerWaalsContact C-N 3.35Å; A39-R41 VanDerWaalsContact C-N 3.31Å; A39-R41 PolarHBondContact O-N 3.2Å; A39-G42 PolarHBondContact O-N 2.94Å; A39-Y44 HydrophobicContact CB-CD2 4.26Å; A39-A158 HydrophobicContact CB-CB 3.77Å
40	R	96.2	Very high	97.8	Very high	141 Å²	141	38.5 Å²	38.5	53%	0.532	18%	0.181	S	C	.	.	H	α-helix	trans	-60.2	-38.3	179	-168.2	-168.9	69	78.8	-0.2	112.6	A36 E37 G42 T160	A36-R40 WeakPolarHBondContact O-CB 3.44Å; A36-R40 PolarHBondContact O-N 2.95Å; E37-R40 PolarHBondContact O-N 2.93Å; E37-R40 IonicContact OE1-CZ 3.16Å; E37-R40 IonicContact OE1-NE 3.57Å; E37-R40 IonicContact OE1-NH2 2.8Å; E37-R40 PolarHBondContact OE1-NH2 3.15Å; E37-R40 IonicContact OE2-CZ 3.79Å; E37-R40 IonicContact OE2-NE 3.89Å; E37-R40 PolarHBondContact OE2-NE 2.98Å; E37-R40 IonicContact OE2-NH2 3.56Å; E37-R40 PolarHBondContact OE2-NH2 2.75Å; R40-G42 PolarHBondContact O-N 3.39Å; R40-T160 HydrophobicContact CB-CG2 4.48Å
41	R	96.7	Very high	97.9	Very high	151 Å²	151	37.9 Å²	37.9	57%	0.57	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-5.6	175.6	-70.1	176.6	-172.6	-173.8	7.6	113.7	E37 L38 A39 Y43	E37-R41 WeakPolarHBondContact O-CB 3.38Å; E37-R41 VanDerWaalsContact O-CG 3.25Å; E37-R41 WeakPolarHBondContact O-CG 3.12Å; E37-R41 PolarHBondContact O-N 3.08Å; E37-R41 IonicContact OE1-CZ 2.77Å; E37-R41 IonicContact OE1-NE 2.87Å; E37-R41 PolarHBondContact OE1-NE 2.95Å; E37-R41 IonicContact OE1-NH2 2.69Å; E37-R41 PolarHBondContact OE1-NH2 2.91Å; L38-R41 PolarHBondContact O-N 3.29Å; A39-R41 VanDerWaalsContact C-N 3.31Å; A39-R41 PolarHBondContact O-N 3.2Å; R41-Y43 VanDerWaalsContact C-N 3.26Å; R41-Y43 PolarHBondContact O-N 2.89Å
42	G	97.8	Very high	97.8	Very high	21 Å²	21	38 Å²	38	22%	0.216	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	18	-174.8	0	0	0	0	0	113.7	L38 A39 R40 Y44 N45	L38-G42 PolarHBondContact O-N 2.8Å; A39-G42 PolarHBondContact O-N 2.94Å; R40-G42 PolarHBondContact O-N 3.39Å; G42-Y44 PolarHBondContact O-N 2.86Å; G42-N45 VanDerWaalsContact CA-ND2 3.35Å; G42-N45 WeakPolarHBondContact CA-ND2 3.14Å; G42-N45 VanDerWaalsContact O-CB 3.23Å; G42-N45 WeakPolarHBondContact O-CB 3.16Å; G42-N45 VanDerWaalsContact O-CG 3.27Å; G42-N45 PolarHBondContact O-N 3.22Å
43	Y	98.1	Very high	97.8	Very high	70 Å²	70	39.6 Å²	39.6	28%	0.275	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.9	-178.3	-173.6	-92.4	0	0	0	112.6	L38 R41 V47 P63 G70 A71 S106	L38-Y43 HydrophobicContact CB-CD1 4.32Å; L38-Y43 HydrophobicContact CB-CG 4.34Å; L38-Y43 HydrophobicContact CD1-CD1 4.37Å; L38-Y43 HydrophobicContact CD2-CD1 3.86Å; L38-Y43 HydrophobicContact CD2-CD2 3.87Å; L38-Y43 HydrophobicContact CD2-CE1 4.29Å; L38-Y43 HydrophobicContact CD2-CE2 4.28Å; L38-Y43 HydrophobicContact CD2-CG 3.62Å; L38-Y43 HydrophobicContact CG-CD1 4.4Å; L38-Y43 HydrophobicContact CG-CG 4.47Å; L38-Y43 WeakPolarHBondContact O-CB 3.44Å; L38-Y43 PolarHBondContact O-N 3.4Å; R41-Y43 VanDerWaalsContact C-N 3.26Å; R41-Y43 PolarHBondContact O-N 2.89Å; Y43-V47 WeakPolarHBondContact O-CG2 3.34Å; Y43-P63 HydrophobicContact CD1-CG 3.93Å; Y43-P63 HydrophobicContact CE1-CG 3.23Å; Y43-P63 HydrophobicContact CE2-CG 4Å; Y43-P63 WeakPolarHBondContact OH-CG 3.33Å; Y43-G70 WeakPolarHBondContact OH-CA 3.4Å; Y43-A71 PolarHBondContact OH-N 2.89Å; Y43-S106 VanDerWaalsContact CE1-CB 3.46Å; Y43-S106 WeakPolarHBondContact CE1-OG 3.23Å
44	Y	98.5	Very high	97.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.4	177	-61.4	-53.7	0	0	0	113.9	F35 L38 A39 G42 N46 V47 S106 F108 I155 A158	F35-Y44 AromaticContact CD2-CE2 3.65Å; F35-Y44 HydrophobicContact CD2-CE2 3.65Å; F35-Y44 AromaticContact CD2-CZ 3.89Å; F35-Y44 WeakPolarHBondContact CD2-OH 3.29Å; F35-Y44 HydrophobicContact CE2-CD2 4.38Å; F35-Y44 AromaticContact CE2-CE2 3.64Å; F35-Y44 HydrophobicContact CE2-CE2 3.64Å; F35-Y44 AromaticContact CE2-CZ 3.96Å; L38-Y44 HydrophobicContact CB-CD2 4.21Å; L38-Y44 HydrophobicContact CB-CE2 3.58Å; L38-Y44 HydrophobicContact CD1-CE2 4.38Å; L38-Y44 WeakPolarHBondContact CD1-OH 3.41Å; A39-Y44 HydrophobicContact CB-CD2 4.26Å; G42-Y44 PolarHBondContact O-N 2.86Å; Y44-N46 PolarHBondContact O-N 3.25Å; Y44-V47 WeakPolarHBondContact O-CB 3.34Å; Y44-V47 PolarHBondContact O-N 3.33Å; Y44-S106 WeakPolarHBondContact CE1-O 3.42Å; Y44-S106 PolarHBondContact OH-O 3.42Å; Y44-F108 HydrophobicContact CD1-CE1 4.48Å; Y44-F108 HydrophobicContact CE1-CD1 4.44Å; Y44-F108 HydrophobicContact CE1-CE1 4.18Å; Y44-I155 WeakPolarHBondContact O-CB 3.38Å; Y44-I155 WeakPolarHBondContact O-CG2 3.35Å; Y44-A158 HydrophobicContact CD2-CB 4.39Å
45	N	98.2	Very high	97.5	Very high	65 Å²	65	49.3 Å²	49.3	35%	0.348	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	132.7	179.2	-63.6	-8.2	0	0	0	110.3	G42 V47 R157 A158	G42-N45 VanDerWaalsContact CA-ND2 3.35Å; G42-N45 WeakPolarHBondContact CA-ND2 3.14Å; G42-N45 VanDerWaalsContact O-CB 3.23Å; G42-N45 WeakPolarHBondContact O-CB 3.16Å; G42-N45 VanDerWaalsContact O-CG 3.27Å; G42-N45 PolarHBondContact O-N 3.22Å; N45-V47 PolarHBondContact O-N 3Å; N45-R157 WeakPolarHBondContact OD1-CA 3.26Å; N45-A158 PolarHBondContact OD1-N 3.11Å
46	N	98	Very high	97.4	Very high	101 Å²	101	51.4 Å²	51.4	54%	0.54	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	20.8	-171.9	-64.8	-66.9	0	0	0	115.3	Y44 K154 I155	Y44-N46 PolarHBondContact O-N 3.25Å; N46-K154 PolarHBondContact OD1-NZ 2.66Å; N46-I155 WeakPolarHBondContact CA-O 3.46Å; N46-I155 PolarHBondContact N-O 2.93Å
47	V	98.2	Very high	97.4	Very high	8 Å²	8	51.4 Å²	51.4	5%	0.048	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131.5	177.4	176.7	0	0	0	0	110.8	Y43 Y44 N45 D62 P63 K154 I155	Y43-V47 WeakPolarHBondContact O-CG2 3.34Å; Y44-V47 WeakPolarHBondContact O-CB 3.34Å; Y44-V47 PolarHBondContact O-N 3.33Å; N45-V47 PolarHBondContact O-N 3Å; V47-D62 WeakPolarHBondContact CG1-O 3.47Å; V47-P63 HydrophobicContact CG2-CB 4.34Å; V47-P63 HydrophobicContact CG2-CG 4.47Å; V47-K154 CarbonylContact O-C 3.57Å; V47-K154 VanDerWaalsContact O-CA 3.32Å; V47-K154 WeakPolarHBondContact O-CA 3.28Å; V47-K154 WeakPolarHBondContact O-CB 3.23Å; V47-I155 PolarHBondContact N-O 3.14Å; V47-I155 PolarHBondContact O-N 2.86Å
48	A	97.7	Very high	97.5	Very high	20 Å²	20	49.8 Å²	49.8	17%	0.165	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	151.1	-178.6	0	0	0	0	0	113	H50 L152 I153	A48-H50 PolarHBondContact O-N 3.4Å; A48-L152 HydrophobicContact CB-CD1 3.98Å; A48-I153 CarbonylContact C-O 3.52Å; A48-I153 VanDerWaalsContact CA-O 3.24Å; A48-I153 WeakPolarHBondContact CA-O 3.43Å
49	F	98	Very high	97.5	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.013	23%	0.23	C	C	.	.			trans	-77.6	96.9	156.4	-69	-80.8	0	0	0	107.5	T14 R51 I58 Q59 F108 L138 I153 I155	T14-F49 HydrophobicContact CG2-CE2 3.99Å; F49-R51 VanDerWaalsContact C-N 3.3Å; F49-R51 PolarHBondContact O-N 2.84Å; F49-I58 HydrophobicContact CD1-CB 4.47Å; F49-I58 HydrophobicContact CD1-CD1 4.48Å; F49-I58 HydrophobicContact CE1-CD1 4.25Å; F49-I58 HydrophobicContact CE1-CG1 4.5Å; F49-Q59 CarbonylContact C-O 3.55Å; F49-Q59 VanDerWaalsContact CA-O 3.23Å; F49-Q59 WeakPolarHBondContact CA-O 3.42Å; F49-F108 HydrophobicContact CE1-CE2 4.35Å; F49-F108 HydrophobicContact CE1-CZ 4.37Å; F49-L138 HydrophobicContact CD2-CD1 4.25Å; F49-L138 HydrophobicContact CE2-CD1 4.05Å; F49-L138 HydrophobicContact CZ-CD1 4.46Å; F49-I153 HydrophobicContact CB-CG2 4.49Å; F49-I153 HydrophobicContact CD2-CG2 3.74Å; F49-I153 PolarHBondContact N-O 3.03Å; F49-I155 HydrophobicContact CE2-CD1 4.49Å; F49-I155 HydrophobicContact CE2-CG1 3.85Å; F49-I155 HydrophobicContact CZ-CD1 4.23Å; F49-I155 HydrophobicContact CZ-CG1 4.01Å
50	H	97.4	Very high	97.5	Very high	14 Å²	14	50.7 Å²	50.7	7%	0.065	23%	0.23	C	C	.	.			trans	-84	-4.6	-170.1	61.7	-94.7	0	0	0	113.2	A48 Q59 G67 Q107 R148	A48-H50 PolarHBondContact O-N 3.4Å; H50-Q59 PolarHBondContact N-O 3.21Å; H50-Q59 VanDerWaalsContact N-O 3.1Å; H50-Q59 PolarHBondContact NE2-NE2 3.22Å; H50-G67 WeakPolarHBondContact NE2-CA 3.25Å; H50-Q107 PolarHBondContact CE1-OE1 3.1Å; H50-Q107 PolarHBondContact NE2-OE1 2.83Å; H50-R148 WeakPolarHBondContact O-CG 3.36Å
51	R	97.9	Very high	97.6	Very high	84 Å²	84	44 Å²	44	32%	0.317	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	130.3	177.9	-168.7	-174.8	-176.9	-151.7	0.4	110.8	F49 M57 Q59 E147	F49-R51 VanDerWaalsContact C-N 3.3Å; F49-R51 PolarHBondContact O-N 2.84Å; R51-M57 HydrophobicContact CB-CE 4.46Å; R51-M57 HydrophobicContact CG-CE 3.9Å; R51-Q59 HydrophobicContact CB-CB 4.2Å; R51-Q59 PolarHBondContact N-O 3.21Å; R51-Q59 PolarHBondContact O-N 2.62Å; R51-E147 CarbonylContact C-O 3.37Å; R51-E147 WeakPolarHBondContact CA-O 3.28Å; R51-E147 HydrophobicContact CG-CB 3.93Å; R51-E147 IonicContact CZ-OE2 2.65Å; R51-E147 IonicContact NE-OE2 2.8Å; R51-E147 PolarHBondContact NE-OE2 3.46Å; R51-E147 IonicContact NH2-OE1 3.2Å; R51-E147 IonicContact NH2-OE2 3.17Å; R51-E147 PolarHBondContact NH2-OE2 2.82Å
52	V	97.7	Very high	97.6	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	125.8	179.6	171.6	0	0	0	0	108.9	I58 L138 V141 V143 E147 P149	V52-I58 HydrophobicContact CB-CG2 4.45Å; V52-I58 HydrophobicContact CG1-CG2 4.07Å; V52-I58 HydrophobicContact CG2-CB 4.32Å; V52-I58 HydrophobicContact CG2-CG2 3.93Å; V52-L138 WeakPolarHBondContact CG1-O 3.32Å; V52-V141 HydrophobicContact CB-CG2 4.47Å; V52-V141 HydrophobicContact CG1-CG2 4.13Å; V52-V141 HydrophobicContact CG2-CG2 4.48Å; V52-V143 HydrophobicContact CB-CG1 4.06Å; V52-V143 HydrophobicContact CG1-CG1 4.38Å; V52-E147 PolarHBondContact N-O 2.79Å; V52-P149 HydrophobicContact CB-CG 4.14Å; V52-P149 HydrophobicContact CG2-CG 3.54Å
53	I	97.2	Very high	97.6	Very high	33 Å²	33	38.6 Å²	38.6	17%	0.169	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116.1	177.1	-57.7	171.6	0	0	0	108	F56 M57 L112 E147	I53-F56 HydrophobicContact CB-CB 3.96Å; I53-F56 HydrophobicContact CB-CD1 3.91Å; I53-F56 HydrophobicContact CB-CG 4.44Å; I53-F56 HydrophobicContact CD1-CD1 3.65Å; I53-F56 HydrophobicContact CD1-CE1 4.08Å; I53-F56 HydrophobicContact CG1-CD1 4.37Å; I53-F56 HydrophobicContact CG2-CB 3.7Å; I53-F56 HydrophobicContact CG2-CD1 3.97Å; I53-F56 HydrophobicContact CG2-CG 4.33Å; I53-F56 PolarHBondContact O-N 2.82Å; I53-F56 VanDerWaalsContact O-N 3.1Å; I53-M57 HydrophobicContact CB-CE 4.24Å; I53-M57 HydrophobicContact CD1-CE 3.58Å; I53-M57 HydrophobicContact CG1-CE 3.79Å; I53-M57 PolarHBondContact N-O 3.47Å; I53-M57 PolarHBondContact O-N 3.09Å; I53-M57 VanDerWaalsContact O-N 3.12Å; I53-L112 WeakPolarHBondContact O-CD1 3.42Å; I53-E147 VanDerWaalsContact CD1-CD 3.42Å; I53-E147 HydrophobicContact CD1-CG 4.47Å; I53-E147 WeakPolarHBondContact CD1-OE1 3.49Å; I53-E147 WeakPolarHBondContact CD1-OE2 3.3Å; I53-E147 HydrophobicContact CG1-CB 4.12Å; I53-E147 HydrophobicContact CG1-CG 4.07Å; I53-E147 WeakPolarHBondContact CG1-OE1 3.29Å
54	R	95.3	Very high	97.5	Very high	158 Å²	158	39.4 Å²	39.4	60%	0.596	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	139.6	179.2	-170.6	177.1	-66.2	168.3	0.1	110.4	F56 M140	R54-F56 PolarHBondContact O-N 2.92Å; R54-F56 VanDerWaalsContact O-N 3.08Å; R54-M140 PolarHBondContact NH2-O 2.91Å
55	D	94.6	Very high	97.3	Very high	120 Å²	120	40.5 Å²	40.5	64%	0.642	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	21.9	-177.7	-54.4	-43.7	0	0	0	114.5	A113	D55-A113 WeakPolarHBondContact O-CB 3.19Å
56	F	97.5	Very high	97.1	Very high	43 Å²	43	40.5 Å²	40.5	19%	0.189	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.3	-77.1	175.9	-179.3	-142.2	0	0	0	111.7	I53 R54 L112 T115 W117 L118	I53-F56 HydrophobicContact CB-CB 3.96Å; I53-F56 HydrophobicContact CB-CD1 3.91Å; I53-F56 HydrophobicContact CB-CG 4.44Å; I53-F56 HydrophobicContact CD1-CD1 3.65Å; I53-F56 HydrophobicContact CD1-CE1 4.08Å; I53-F56 HydrophobicContact CG1-CD1 4.37Å; I53-F56 HydrophobicContact CG2-CB 3.7Å; I53-F56 HydrophobicContact CG2-CD1 3.97Å; I53-F56 HydrophobicContact CG2-CG 4.33Å; I53-F56 PolarHBondContact O-N 2.82Å; I53-F56 VanDerWaalsContact O-N 3.1Å; R54-F56 PolarHBondContact O-N 2.92Å; R54-F56 VanDerWaalsContact O-N 3.08Å; F56-L112 PolarHBondContact O-N 3.38Å; F56-T115 HydrophobicContact CD2-CG2 3.4Å; F56-T115 VanDerWaalsContact CD2-CG2 3.4Å; F56-T115 HydrophobicContact CE2-CG2 3.66Å; F56-W117 AromaticContact CD2-CZ2 3.66Å; F56-W117 HydrophobicContact CD2-CZ2 3.66Å; F56-W117 AromaticContact CE2-CE2 3.92Å; F56-W117 AromaticContact CE2-CZ2 3.65Å; F56-W117 HydrophobicContact CE2-CZ2 3.65Å; F56-W117 AromaticContact CE2-NE1 3.63Å; F56-L118 HydrophobicContact CE2-CD1 3.87Å; F56-L118 HydrophobicContact CE2-CG 4.46Å; F56-L118 HydrophobicContact CZ-CD1 4.11Å
57	M	97.9	Very high	97	Very high	5 Å²	5	37 Å²	37	3%	0.025	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	162.9	-175.9	63.7	82.7	-141.3	0	0	113.3	R51 I53 Q59 F109 I110	R51-M57 HydrophobicContact CB-CE 4.46Å; R51-M57 HydrophobicContact CG-CE 3.9Å; I53-M57 HydrophobicContact CB-CE 4.24Å; I53-M57 HydrophobicContact CD1-CE 3.58Å; I53-M57 HydrophobicContact CG1-CE 3.79Å; I53-M57 PolarHBondContact N-O 3.47Å; I53-M57 PolarHBondContact O-N 3.09Å; I53-M57 VanDerWaalsContact O-N 3.12Å; M57-Q59 HydrophobicContact CE-CB 4.15Å; M57-Q59 HydrophobicContact SD-CB 3.52Å; M57-Q59 VanDerWaalsContact SD-CB 3.52Å; M57-F109 HydrophobicContact CB-CB 4.26Å; M57-F109 HydrophobicContact CB-CD2 4.02Å; M57-F109 HydrophobicContact CB-CG 4.49Å; M57-F109 HydrophobicContact CG-CB 4.37Å; M57-F109 HydrophobicContact CG-CD2 4.46Å; M57-F109 HydrophobicContact SD-CB 3.92Å; M57-I110 CarbonylContact C-O 3.45Å; M57-I110 VanDerWaalsContact CA-O 3.25Å; M57-I110 WeakPolarHBondContact CA-O 3.13Å; M57-I110 WeakPolarHBondContact CB-O 3.39Å
58	I	98.1	Very high	96.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.9	162.6	61.2	176.8	0	0	0	109.1	F49 V52 F109 I110 L112 V135 L138	F49-I58 HydrophobicContact CD1-CB 4.47Å; F49-I58 HydrophobicContact CD1-CD1 4.48Å; F49-I58 HydrophobicContact CE1-CD1 4.25Å; F49-I58 HydrophobicContact CE1-CG1 4.5Å; V52-I58 HydrophobicContact CB-CG2 4.45Å; V52-I58 HydrophobicContact CG1-CG2 4.07Å; V52-I58 HydrophobicContact CG2-CB 4.32Å; V52-I58 HydrophobicContact CG2-CG2 3.93Å; I58-F109 CarbonylContact O-C 3.59Å; I58-F109 WeakPolarHBondContact O-CA 3.17Å; I58-F109 WeakPolarHBondContact O-CB 3.06Å; I58-I110 HydrophobicContact CD1-CB 4.2Å; I58-I110 HydrophobicContact CD1-CD1 4.21Å; I58-I110 HydrophobicContact CG1-CB 3.76Å; I58-I110 HydrophobicContact CG1-CG1 4.39Å; I58-I110 PolarHBondContact N-O 2.69Å; I58-I110 PolarHBondContact O-N 2.77Å; I58-L112 HydrophobicContact CG2-CD1 3.97Å; I58-L112 HydrophobicContact CG2-CD2 4.44Å; I58-L112 HydrophobicContact CG2-CG 4.38Å; I58-V135 HydrophobicContact CD1-CG1 4.01Å; I58-L138 HydrophobicContact CD1-CB 4.04Å; I58-L138 HydrophobicContact CD1-CD1 3.68Å; I58-L138 HydrophobicContact CD1-CG 4.48Å; I58-L138 HydrophobicContact CG2-CB 4.15Å
59	Q	98.5	Very high	96.7	Very high	24 Å²	24	47.8 Å²	47.8	11%	0.112	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137	-176.2	172.9	-179.1	-3.1	0	0	111.3	F49 H50 R51 M57 F108 F109	F49-Q59 CarbonylContact C-O 3.55Å; F49-Q59 VanDerWaalsContact CA-O 3.23Å; F49-Q59 WeakPolarHBondContact CA-O 3.42Å; H50-Q59 PolarHBondContact N-O 3.21Å; H50-Q59 VanDerWaalsContact N-O 3.1Å; H50-Q59 PolarHBondContact NE2-NE2 3.22Å; R51-Q59 HydrophobicContact CB-CB 4.2Å; R51-Q59 PolarHBondContact N-O 3.21Å; R51-Q59 PolarHBondContact O-N 2.62Å; M57-Q59 HydrophobicContact CE-CB 4.15Å; M57-Q59 HydrophobicContact SD-CB 3.52Å; M57-Q59 VanDerWaalsContact SD-CB 3.52Å; Q59-F108 WeakPolarHBondContact CA-O 3.45Å; Q59-F109 HydrophobicContact CB-CB 4.12Å
60	G	98.2	Very high	96.6	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	-166.5	-178.4	0	0	0	0	0	112.1	Q107 F108	G60-Q107 VanDerWaalsContact O-CA 3.3Å; G60-Q107 WeakPolarHBondContact O-CA 3.23Å; G60-F108 PolarHBondContact N-O 3.47Å; G60-F108 PolarHBondContact O-N 2.85Å
61	G	97.9	Very high	96.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.268	C	S	.	.			trans	87.5	12.8	175.7	0	0	0	0	0	115.7	S106	G61-S106 CarbonylContact O-C 3.57Å; G61-S106 WeakPolarHBondContact O-CB 3.16Å; G61-S106 PolarHBondContact O-OG 3.41Å
62	D	97.8	Very high	96.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.256	C	S	.	.			trans	-101.3	108.5	169.3	179.1	-0.2	0	0	0	110.1	V47 T64 G65 T66 G67 R68 G69 Q107	V47-D62 WeakPolarHBondContact CG1-O 3.47Å; D62-T64 PolarHBondContact O-N 3.49Å; D62-T64 VanDerWaalsContact O-N 3.14Å; D62-T64 WeakPolarHBondContact OD1-CB 3.42Å; D62-T64 PolarHBondContact OD1-N 3.16Å; D62-T64 PolarHBondContact OD1-OG1 2.97Å; D62-T64 PolarHBondContact OD2-OG1 3Å; D62-G65 PolarHBondContact O-N 3.39Å; D62-T66 PolarHBondContact OD2-N 2.86Å; D62-T66 VanDerWaalsContact OD2-N 3.15Å; D62-T66 PolarHBondContact OD2-OG1 2.92Å; D62-G67 VanDerWaalsContact OD2-CA 3.31Å; D62-G67 WeakPolarHBondContact OD2-CA 3.45Å; D62-G67 PolarHBondContact OD2-N 2.89Å; D62-R68 PolarHBondContact OD2-N 3.12Å; D62-R68 VanDerWaalsContact OD2-N 3.1Å; D62-G69 WeakPolarHBondContact OD1-CA 3.37Å; D62-G69 PolarHBondContact OD1-N 2.84Å; D62-G69 PolarHBondContact OD2-N 3.28Å; D62-Q107 HydrophobicContact CB-CG 3.96Å
63	P	96.7	Very high	96.5	Very high	60 Å²	60	48.4 Å²	48.4	39%	0.39	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.8	178.8	-22.9	33.1	0	0	0	114.9	Y43 V47 G65	Y43-P63 HydrophobicContact CD1-CG 3.93Å; Y43-P63 HydrophobicContact CE1-CG 3.23Å; Y43-P63 HydrophobicContact CE2-CG 4Å; Y43-P63 WeakPolarHBondContact OH-CG 3.33Å; V47-P63 HydrophobicContact CG2-CB 4.34Å; V47-P63 HydrophobicContact CG2-CG 4.47Å; P63-G65 VanDerWaalsContact C-N 3.3Å
64	T	95.9	Very high	96.5	Very high	86 Å²	86	51.2 Å²	51.2	53%	0.528	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-16.4	175.9	73.7	0	0	0	0	112.3	D62 T66	D62-T64 PolarHBondContact O-N 3.49Å; D62-T64 VanDerWaalsContact O-N 3.14Å; D62-T64 WeakPolarHBondContact OD1-CB 3.42Å; D62-T64 PolarHBondContact OD1-N 3.16Å; D62-T64 PolarHBondContact OD1-OG1 2.97Å; D62-T64 PolarHBondContact OD2-OG1 3Å; T64-T66 PolarHBondContact O-N 2.86Å; T64-T66 WeakPolarHBondContact OG1-CG2 3.1Å; T64-T66 PolarHBondContact OG1-N 3.07Å; T64-T66 PolarHBondContact OG1-OG1 2.96Å
65	G	94.5	Very high	96.5	Very high	24 Å²	24	45.7 Å²	45.7	25%	0.247	27%	0.266	C	S	.	.	S	Bend	trans	66.7	8.3	-174	0	0	0	0	0	114.6	D62 P63	D62-G65 PolarHBondContact O-N 3.39Å; P63-G65 VanDerWaalsContact C-N 3.3Å
66	T	94.9	Very high	96.2	Very high	65 Å²	65	44 Å²	44	40%	0.399	26%	0.264	S	S	.	.	S	Bend	trans	-87.1	-21.2	-173.5	64.6	0	0	0	0	113.5	D62 T64 R68 R148	D62-T66 PolarHBondContact OD2-N 2.86Å; D62-T66 VanDerWaalsContact OD2-N 3.15Å; D62-T66 PolarHBondContact OD2-OG1 2.92Å; T64-T66 PolarHBondContact O-N 2.86Å; T64-T66 WeakPolarHBondContact OG1-CG2 3.1Å; T64-T66 PolarHBondContact OG1-N 3.07Å; T64-T66 PolarHBondContact OG1-OG1 2.96Å; T66-R68 VanDerWaalsContact C-N 3.28Å; T66-R68 PolarHBondContact OG1-N 3.35Å; T66-R68 VanDerWaalsContact OG1-N 3.11Å; T66-R148 PolarHBondContact O-NH2 3.01Å; T66-R148 VanDerWaalsContact O-NH2 3.08Å
67	G	94.7	Very high	96.1	Very high	27 Å²	27	48.4 Å²	48.4	28%	0.278	28%	0.281	S	S	.	.	S	Bend	trans	83.3	-0.4	-166.5	0	0	0	0	0	113.7	H50 D62 Q107	H50-G67 WeakPolarHBondContact NE2-CA 3.25Å; D62-G67 VanDerWaalsContact OD2-CA 3.31Å; D62-G67 WeakPolarHBondContact OD2-CA 3.45Å; D62-G67 PolarHBondContact OD2-N 2.89Å; G67-Q107 VanDerWaalsContact C-NE2 3.33Å; G67-Q107 PolarHBondContact O-NE2 3.45Å
68	R	94.4	Very high	96.1	Very high	233 Å²	233	48.6 Å²	48.6	88%	0.879	28%	0.281	S	S	*	.	S	Bend	trans	-114.5	-10.4	-175.9	-59	179	-177.1	-95.5	-0.3	113.3	D62 T66	D62-R68 PolarHBondContact OD2-N 3.12Å; D62-R68 VanDerWaalsContact OD2-N 3.1Å; T66-R68 VanDerWaalsContact C-N 3.28Å; T66-R68 PolarHBondContact OG1-N 3.35Å; T66-R68 VanDerWaalsContact OG1-N 3.11Å
69	G	94.9	Very high	96.1	Very high	22 Å²	22	50.7 Å²	50.7	23%	0.227	30%	0.299	C	S	.	.			trans	-95.2	-169.5	-179.9	0	0	0	0	0	113	D62 Q107	D62-G69 WeakPolarHBondContact OD1-CA 3.37Å; D62-G69 PolarHBondContact OD1-N 2.84Å; D62-G69 PolarHBondContact OD2-N 3.28Å; G69-Q107 PolarHBondContact O-NE2 3.06Å
70	G	95.6	Very high	96.1	Very high	28 Å²	28	51.2 Å²	51.2	29%	0.289	30%	0.302	S	S	.	.			trans	104.5	142	-179.1	0	0	0	0	0	113.1	Y43 S106	Y43-G70 WeakPolarHBondContact OH-CA 3.4Å; G70-S106 WeakPolarHBondContact CA-OG 3.35Å
71	A	96.6	Very high	96.1	Very high	39 Å²	39	52.8 Å²	52.8	32%	0.322	31%	0.309	S	S	.	.			trans	-142.1	151.1	178.7	0	0	0	0	0	109.9	Y43 S106	Y43-A71 PolarHBondContact OH-N 2.89Å; A71-S106 PolarHBondContact N-OG 3.24Å; A71-S106 WeakPolarHBondContact O-CB 3.4Å
72	S	97.8	Very high	96.1	Very high	11 Å²	11	56.5 Å²	56.5	8%	0.077	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-84.3	168	176.7	75.9	0	0	0	0	111.8	N34 Y74 G75	N34-S72 VanDerWaalsContact OD1-CA 3.24Å; N34-S72 WeakPolarHBondContact OD1-CA 3.22Å; N34-S72 VanDerWaalsContact OD1-CB 3.32Å; N34-S72 WeakPolarHBondContact OD1-CB 3.2Å; S72-Y74 PolarHBondContact O-N 3.35Å; S72-Y74 PolarHBondContact OG-N 3.32Å; S72-Y74 VanDerWaalsContact OG-N 3.11Å; S72-G75 PolarHBondContact N-O 3.36Å; S72-G75 PolarHBondContact O-N 3.07Å; S72-G75 VanDerWaalsContact O-O 3.07Å; S72-G75 PolarHBondContact OG-N 3.21Å; S72-G75 PolarHBondContact OG-O 2.89Å
73	I	97.6	Very high	96	Very high	39 Å²	39	59.5 Å²	59.5	20%	0.2	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-12.6	169.3	68.5	169.8	0	0	0	113.1	L33 N34 E37 L38	L33-I73 HydrophobicContact CD2-CD1 4.43Å; L33-I73 HydrophobicContact CG-CD1 3.92Å; N34-I73 HydrophobicContact CB-CG1 4.29Å; N34-I73 PolarHBondContact OD1-N 2.77Å; E37-I73 HydrophobicContact CB-CD1 4.05Å; E37-I73 HydrophobicContact CB-CG2 4Å; E37-I73 HydrophobicContact CG-CB 4.49Å; E37-I73 HydrophobicContact CG-CD1 4.16Å; E37-I73 HydrophobicContact CG-CG2 3.79Å; L38-I73 HydrophobicContact CD2-CG2 3.8Å; L38-I73 HydrophobicContact CG-CG2 3.81Å
74	Y	97.2	Very high	95.9	Very high	91 Å²	91	60.9 Å²	60.9	36%	0.357	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	4.1	-177.1	-48	-66.8	0	0	0	113	K30 N34 S72 F78	K30-Y74 WeakPolarHBondContact CA-OH 3.33Å; K30-Y74 HydrophobicContact CB-CE2 4.43Å; K30-Y74 PolarHBondContact O-OH 3.16Å; N34-Y74 HydrophobicContact CB-CE2 3.9Å; S72-Y74 PolarHBondContact O-N 3.35Å; S72-Y74 PolarHBondContact OG-N 3.32Å; S72-Y74 VanDerWaalsContact OG-N 3.11Å; Y74-F78 HydrophobicContact CD2-CB 3.82Å; Y74-F78 HydrophobicContact CD2-CD1 4.02Å; Y74-F78 AromaticContact CD2-CG 3.94Å; Y74-F78 HydrophobicContact CD2-CG 3.94Å; Y74-F78 HydrophobicContact CE2-CB 4.38Å; Y74-F78 HydrophobicContact CE2-CD1 4.35Å; Y74-F78 HydrophobicContact CE2-CG 4.17Å
75	G	94.2	Very high	95.8	Very high	42 Å²	42	62.7 Å²	62.7	43%	0.433	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	111.5	-140.9	-168.5	0	0	0	0	0	111.1	S72	S72-G75 PolarHBondContact N-O 3.36Å; S72-G75 PolarHBondContact O-N 3.07Å; S72-G75 VanDerWaalsContact O-O 3.07Å; S72-G75 PolarHBondContact OG-N 3.21Å; S72-G75 PolarHBondContact OG-O 2.89Å
76	S	88.6	Confident	96	Very high	86 Å²	86	63 Å²	63	60%	0.601	35%	0.354	S	S	*	.	S	Bend	trans	-66.1	-70.4	-176.9	48.8	0	0	0	0	112.4
77	Y	96.4	Very high	96.1	Very high	135 Å²	135	64 Å²	64	53%	0.529	35%	0.353	S	S	.	.			trans	-126.8	156	-172.9	-60.7	-47.9	0	0	0	113.2	T103 N104	Y77-T103 VanDerWaalsContact CD1-C 3.49Å; Y77-T103 VanDerWaalsContact CD1-O 3.25Å; Y77-T103 WeakPolarHBondContact CD1-O 3.47Å; Y77-T103 HydrophobicContact CD2-CG2 4.23Å; Y77-T103 HydrophobicContact CE2-CG2 4.36Å; Y77-N104 CarbonylContact C-O 3.57Å; Y77-N104 VanDerWaalsContact CA-O 3.26Å; Y77-N104 WeakPolarHBondContact CA-O 3.36Å
78	F	98.3	Very high	96.3	Very high	8 Å²	8	62.7 Å²	62.7	4%	0.035	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-133.2	160.6	170.1	69.6	-84.4	0	0	0	112.7	T31 N34 Y74 M96 N102 N104 G105	T31-F78 HydrophobicContact CG2-CE2 4.33Å; T31-F78 HydrophobicContact CG2-CZ 4.16Å; T31-F78 WeakPolarHBondContact OG1-CE2 3.45Å; N34-F78 HydrophobicContact CB-CE1 4.24Å; N34-F78 HydrophobicContact CB-CZ 4.31Å; N34-F78 WeakPolarHBondContact ND2-CE1 3.45Å; Y74-F78 HydrophobicContact CD2-CB 3.82Å; Y74-F78 HydrophobicContact CD2-CD1 4.02Å; Y74-F78 AromaticContact CD2-CG 3.94Å; Y74-F78 HydrophobicContact CD2-CG 3.94Å; Y74-F78 HydrophobicContact CE2-CB 4.38Å; Y74-F78 HydrophobicContact CE2-CD1 4.35Å; Y74-F78 HydrophobicContact CE2-CG 4.17Å; F78-M96 HydrophobicContact CE1-CE 4.19Å; F78-M96 HydrophobicContact CZ-CE 4.01Å; F78-M96 HydrophobicContact CZ-CG 4.47Å; F78-N102 CarbonylContact O-C 3.51Å; F78-N104 HydrophobicContact CD1-CB 3.75Å; F78-N104 WeakPolarHBondContact CD1-O 3.22Å; F78-N104 HydrophobicContact CD2-CB 4Å; F78-N104 HydrophobicContact CE1-CB 3.37Å; F78-N104 WeakPolarHBondContact CE1-O 3.43Å; F78-N104 HydrophobicContact CE2-CB 3.64Å; F78-N104 HydrophobicContact CG-CB 4.05Å; F78-N104 HydrophobicContact CZ-CB 3.32Å; F78-N104 PolarHBondContact N-O 3.03Å; F78-N104 WeakPolarHBondContact O-CB 3.36Å; F78-N104 PolarHBondContact O-N 2.99Å; F78-N104 PolarHBondContact O-ND2 2.93Å; F78-G105 WeakPolarHBondContact CE1-O 3.16Å
79	A	98	Very high	96.4	Very high	45 Å²	45	56.3 Å²	56.3	37%	0.372	33%	0.326	S	S	.	.			trans	-64.5	153	-174.6	0	0	0	0	0	113.7	N102 N104	A79-N102 VanDerWaalsContact CA-OD1 3.24Å; A79-N102 WeakPolarHBondContact CA-OD1 3.22Å; A79-N102 WeakPolarHBondContact CB-OD1 3.44Å; A79-N104 PolarHBondContact O-ND2 2.89Å
80	D	98.5	Very high	96.4	Very high	34 Å²	34	56.1 Å²	56.1	18%	0.182	32%	0.324	C	S	.	.			trans	-70.5	144.4	172.5	-60.7	-50.3	0	0	0	111.4	I82 P101 N102 N104 T123	D80-I82 HydrophobicContact CB-CD1 4.11Å; D80-I82 HydrophobicContact CB-CG1 3.98Å; D80-P101 WeakPolarHBondContact OD2-CA 3.22Å; D80-N102 PolarHBondContact N-OD1 3.04Å; D80-N102 PolarHBondContact OD2-N 3.46Å; D80-N104 PolarHBondContact N-ND2 3.01Å; D80-N104 PolarHBondContact OD1-ND2 2.95Å; D80-N104 PolarHBondContact OD1-OD1 3.05Å; D80-T123 WeakPolarHBondContact CA-OG1 3.29Å
81	E	98.3	Very high	96.5	Very high	33 Å²	33	57.1 Å²	57.1	15%	0.154	33%	0.33	C	S	.	.			trans	-116	74.2	173.5	-63.4	174.5	119.9	0	0	109.3	A28 P29 K30 T31 T123	A28-E81 VanDerWaalsContact CA-OE2 3.26Å; A28-E81 WeakPolarHBondContact CA-OE2 3.24Å; A28-E81 HydrophobicContact CB-CB 4.09Å; P29-E81 WeakPolarHBondContact CD-OE1 3.44Å; P29-E81 WeakPolarHBondContact CG-OE1 3.46Å; K30-E81 WeakPolarHBondContact CB-OE1 3.41Å; K30-E81 PolarHBondContact N-OE1 2.75Å; K30-E81 PolarHBondContact N-OE2 3.26Å; T31-E81 VanDerWaalsContact CB-OE2 3.29Å; T31-E81 WeakPolarHBondContact CB-OE2 3.39Å; T31-E81 PolarHBondContact N-OE2 3.07Å; T31-E81 PolarHBondContact OG1-OE2 2.98Å; E81-T123 HydrophobicContact CB-CG2 3.77Å; E81-T123 PolarHBondContact N-OG1 2.78Å
82	I	97.9	Very high	96.6	Very high	78 Å²	78	55.5 Å²	55.5	40%	0.4	32%	0.317	S	S	.	.			trans	-83.5	123.8	-176.4	-56.5	-54	0	0	0	110.7	D80	D80-I82 HydrophobicContact CB-CD1 4.11Å; D80-I82 HydrophobicContact CB-CG1 3.98Å
83	H	95.7	Very high	96.6	Very high	63 Å²	63	55.7 Å²	55.7	29%	0.292	32%	0.318	S	S	.	.			trans	-117.2	132.8	176.8	-154.9	-87.8	0	0	0	111.4	H27 D85 L86	H27-H83 AromaticContact CD2-CD2 3.76Å; H27-H83 AromaticContact CD2-CE1 3.75Å; H27-H83 AromaticContact CD2-CG 3.63Å; H27-H83 AromaticContact CD2-ND1 3.62Å; H27-H83 AromaticContact CD2-NE2 3.82Å; H83-D85 IonicContact CE1-OD2 2.73Å; H83-D85 PolarHBondContact CE1-OD2 3.49Å; H83-D85 PolarHBondContact ND1-N 3.22Å; H83-D85 IonicContact ND1-OD2 3.22Å; H83-D85 PolarHBondContact O-N 2.9Å; H83-L86 HydrophobicContact CB-CB 4.39Å; H83-L86 HydrophobicContact CB-CD1 4.28Å; H83-L86 HydrophobicContact CB-CG 4.18Å; H83-L86 PolarHBondContact O-N 3.26Å; H83-L86 VanDerWaalsContact O-N 3.16Å
84	P	94	Very high	96.7	Very high	90 Å²	90	53.9 Å²	53.9	58%	0.584	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.9	-178.8	23.8	-33.9	0	0	0	113.3	L86 K87	P84-L86 VanDerWaalsContact C-N 3.29Å; P84-L86 PolarHBondContact O-N 2.9Å; P84-K87 WeakPolarHBondContact O-CE 3.37Å; P84-K87 PolarHBondContact O-NZ 3.39Å
85	D	94.5	Very high	96.8	Very high	123 Å²	123	49.5 Å²	49.5	66%	0.658	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-12.5	-179.5	-56.3	-21.7	0	0	0	113.8	H83	H83-D85 IonicContact CE1-OD2 2.73Å; H83-D85 PolarHBondContact CE1-OD2 3.49Å; H83-D85 PolarHBondContact ND1-N 3.22Å; H83-D85 IonicContact ND1-OD2 3.22Å; H83-D85 PolarHBondContact O-N 2.9Å
86	L	97.2	Very high	97	Very high	30 Å²	30	47.5 Å²	47.5	16%	0.157	27%	0.27	C	S	.	.			trans	-102.3	120.2	177.9	-61.7	-175.8	0	0	0	109.7	Y24 H27 H83 P84 I124	Y24-L86 HydrophobicContact CD2-CD1 3.97Å; Y24-L86 HydrophobicContact CD2-CD2 4.1Å; Y24-L86 HydrophobicContact CE2-CD2 4.06Å; H27-L86 HydrophobicContact CB-CD1 3.55Å; H27-L86 HydrophobicContact CB-CG 4.49Å; H83-L86 HydrophobicContact CB-CB 4.39Å; H83-L86 HydrophobicContact CB-CD1 4.28Å; H83-L86 HydrophobicContact CB-CG 4.18Å; H83-L86 PolarHBondContact O-N 3.26Å; H83-L86 VanDerWaalsContact O-N 3.16Å; P84-L86 VanDerWaalsContact C-N 3.29Å; P84-L86 PolarHBondContact O-N 2.9Å; L86-I124 HydrophobicContact CB-CB 4.12Å; L86-I124 HydrophobicContact CB-CD1 3.99Å; L86-I124 HydrophobicContact CB-CG2 4.29Å; L86-I124 HydrophobicContact CD1-CB 4.19Å; L86-I124 HydrophobicContact CD1-CG2 4.11Å
87	K	97.7	Very high	97.4	Very high	87 Å²	87	44 Å²	44	38%	0.378	25%	0.247	S	C	.	.			trans	-133.3	152	179.9	-58	-65.4	179.6	-153.1	0	109.7	P84 T89 D119 I124	P84-K87 WeakPolarHBondContact O-CE 3.37Å; P84-K87 PolarHBondContact O-NZ 3.39Å; K87-T89 HydrophobicContact CB-CG2 3.67Å; K87-T89 PolarHBondContact O-N 3.27Å; K87-D119 WeakPolarHBondContact CA-OD1 3.48Å; K87-D119 HydrophobicContact CD-CB 3.98Å; K87-D119 VanDerWaalsContact CD-OD2 3.29Å; K87-D119 WeakPolarHBondContact CD-OD2 3.38Å; K87-I124 VanDerWaalsContact C-CD1 3.43Å
88	H	98	Very high	97.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.231	C	C	.	.			trans	-79.1	64.6	175.1	-57.8	85.9	0	0	0	110.3	G90 S95 F109 P114 T115 D119	H88-G90 VanDerWaalsContact C-N 3.33Å; H88-G90 PolarHBondContact O-N 2.7Å; H88-S95 WeakPolarHBondContact NE2-CB 3.48Å; H88-S95 PolarHBondContact NE2-OG 3.03Å; H88-S95 VanDerWaalsContact NE2-OG 3.08Å; H88-F109 AromaticContact NE2-CZ 3.79Å; H88-P114 WeakPolarHBondContact O-CA 3.45Å; H88-T115 WeakPolarHBondContact CB-OG1 3.36Å; H88-T115 PolarHBondContact O-N 3.35Å; H88-D119 IonicContact CE1-OD1 3.66Å; H88-D119 IonicContact CG-OD1 3.18Å; H88-D119 PolarHBondContact N-OD1 2.89Å; H88-D119 IonicContact ND1-OD1 3.41Å; H88-D119 PolarHBondContact ND1-OD1 3.31Å
89	T	96.4	Very high	97.2	Very high	99 Å²	99	43.3 Å²	43.3	61%	0.607	27%	0.265	S	S	*	.			trans	-77.5	-12.9	-170.7	56.2	0	0	0	0	114.6	K87 P114	K87-T89 HydrophobicContact CB-CG2 3.67Å; K87-T89 PolarHBondContact O-N 3.27Å; T89-P114 WeakPolarHBondContact O-CG 3.38Å
90	G	96.2	Very high	97.1	Very high	18 Å²	18	42.4 Å²	42.4	19%	0.186	26%	0.26	C	S	.	.	S	Bend	trans	-175.5	-174.7	-176.4	0	0	0	0	0	113.2	H88 T111	H88-G90 VanDerWaalsContact C-N 3.33Å; H88-G90 PolarHBondContact O-N 2.7Å; G90-T111 PolarHBondContact O-OG1 3.37Å
91	A	97.9	Very high	97	Very high	49 Å²	49	45.8 Å²	45.8	41%	0.405	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	148.4	177.7	0	0	0	0	0	112	T111 L112 M132	A91-T111 CarbonylContact C-O 3.52Å; A91-T111 WeakPolarHBondContact CA-O 3.33Å; A91-L112 WeakPolarHBondContact CB-O 3.44Å; A91-M132 HydrophobicContact CB-CE 3.7Å
92	G	98.2	Very high	96.9	Very high	4 Å²	4	48.4 Å²	48.4	4%	0.041	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	2.9	176.5	0	0	0	0	0	114.8	T111 R127 V128 M132	G92-T111 PolarHBondContact N-O 2.85Å; G92-T111 PolarHBondContact N-OG1 2.95Å; G92-R127 CarbonylContact O-C 3.56Å; G92-R127 WeakPolarHBondContact O-CA 3.35Å; G92-V128 PolarHBondContact O-N 3.45Å; G92-M132 VanDerWaalsContact CA-SD 3.56Å
93	V	98.6	Very high	96.9	Very high	16 Å²	16	46.1 Å²	46.1	10%	0.097	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	133.4	170.6	177	0	0	0	0	108.7	I110 T111 I124	V93-I110 WeakPolarHBondContact O-CA 3.46Å; V93-T111 HydrophobicContact CB-CG2 4.06Å; V93-T111 WeakPolarHBondContact CB-OG1 3.25Å; V93-T111 PolarHBondContact N-OG1 3.21Å; V93-T111 PolarHBondContact O-N 3.32Å; V93-T111 PolarHBondContact O-OG1 2.94Å; V93-I124 HydrophobicContact CG1-CB 4.4Å; V93-I124 HydrophobicContact CG1-CD1 4.05Å; V93-I124 HydrophobicContact CG1-CG1 3.9Å; V93-I124 HydrophobicContact CG1-CG2 3.67Å
94	V	98.8	Very high	97	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.5	177.2	-167.8	0	0	0	0	109.8	I21 F108 F109 I110 F125 G126 V128	I21-V94 HydrophobicContact CD1-CG1 4.28Å; I21-V94 HydrophobicContact CD1-CG2 4.13Å; I21-V94 HydrophobicContact CG1-CG2 4.07Å; I21-V94 HydrophobicContact CG2-CB 4.24Å; I21-V94 HydrophobicContact CG2-CG1 4.46Å; I21-V94 HydrophobicContact CG2-CG2 3.76Å; V94-F108 HydrophobicContact CG1-CD2 4.02Å; V94-F109 WeakPolarHBondContact CA-O 3.42Å; V94-I110 HydrophobicContact CG1-CG1 4.35Å; V94-I110 HydrophobicContact CG2-CG1 4.06Å; V94-F125 HydrophobicContact CB-CZ 4.39Å; V94-F125 HydrophobicContact CG1-CE1 3.78Å; V94-F125 HydrophobicContact CG1-CE2 3.94Å; V94-F125 HydrophobicContact CG1-CZ 3.39Å; V94-F125 PolarHBondContact O-N 2.97Å; V94-F125 VanDerWaalsContact O-N 3.09Å; V94-G126 PolarHBondContact N-O 3Å; V94-G126 PolarHBondContact O-N 3Å; V94-V128 HydrophobicContact CG2-CG2 4.32Å
95	S	98.6	Very high	97.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	153.1	-170	-169	0	0	0	0	111.8	H88 F108 F109 H122 T123	H88-S95 WeakPolarHBondContact NE2-CB 3.48Å; H88-S95 PolarHBondContact NE2-OG 3.03Å; H88-S95 VanDerWaalsContact NE2-OG 3.08Å; S95-F108 CarbonylContact O-C 3.52Å; S95-F108 VanDerWaalsContact O-CA 3.3Å; S95-F108 WeakPolarHBondContact O-CA 3.45Å; S95-F108 WeakPolarHBondContact O-CB 3.29Å; S95-F109 PolarHBondContact N-O 2.62Å; S95-F109 WeakPolarHBondContact O-CD1 3.39Å; S95-F109 PolarHBondContact O-N 3.38Å; S95-H122 VanDerWaalsContact OG-CB 3.29Å; S95-H122 WeakPolarHBondContact OG-CB 3.46Å; S95-T123 CarbonylContact C-O 3.51Å; S95-T123 VanDerWaalsContact CA-O 3.28Å; S95-T123 WeakPolarHBondContact CA-O 3.49Å; S95-T123 PolarHBondContact OG-O 3.35Å
96	M	98.6	Very high	97.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	132	-178.2	-71.4	-58.8	-63.8	0	0	112	T31 F78 N104 G105 Q107 F108 F109 H122 T123 F125	T31-M96 HydrophobicContact CG2-CG 3.39Å; T31-M96 HydrophobicContact CG2-SD 3.73Å; F78-M96 HydrophobicContact CE1-CE 4.19Å; F78-M96 HydrophobicContact CZ-CE 4.01Å; F78-M96 HydrophobicContact CZ-CG 4.47Å; M96-N104 WeakPolarHBondContact CB-OD1 3.38Å; M96-N104 HydrophobicContact CE-CB 4.07Å; M96-G105 WeakPolarHBondContact CE-O 3.18Å; M96-Q107 WeakPolarHBondContact CE-O 3.48Å; M96-F108 HydrophobicContact SD-CB 4.49Å; M96-F109 WeakPolarHBondContact O-CE1 3.38Å; M96-H122 PolarHBondContact O-ND1 3.39Å; M96-T123 PolarHBondContact N-O 2.97Å; M96-F125 HydrophobicContact CG-CD1 3.93Å; M96-F125 HydrophobicContact CG-CE1 4.02Å; M96-F125 HydrophobicContact SD-CD1 4.12Å; M96-F125 HydrophobicContact SD-CE1 3.69Å; M96-F125 HydrophobicContact SD-CZ 4.36Å
97	A	97.9	Very high	97.5	Very high	12 Å²	12	32.9 Å²	32.9	10%	0.099	22%	0.216	C	C	.	.			trans	-79.8	138.4	165.2	0	0	0	0	0	109.2	Q107 F109	A97-Q107 HydrophobicContact CB-CB 3.84Å; A97-Q107 PolarHBondContact N-O 3.46Å; A97-F109 HydrophobicContact CB-CD1 4.25Å
98	N	96.4	Very high	97.5	Very high	39 Å²	39	28.8 Å²	28.8	21%	0.209	20%	0.198	C	C	.	.			trans	-144.9	169.8	-179.5	67.9	30.1	0	0	0	110.6	G100 K121 H122	N98-G100 PolarHBondContact OD1-N 3.18Å; N98-K121 PolarHBondContact ND2-O 2.93Å; N98-H122 PolarHBondContact OD1-CE1 3.02Å; N98-H122 VanDerWaalsContact OD1-CE1 3.24Å
99	A	94.6	Very high	97.6	Very high	90 Å²	90	29.2 Å²	29.2	74%	0.744	20%	0.2	S	C	*	.	S	Bend	trans	-110.9	30.3	177	0	0	0	0	0	111.6	T103	A99-T103 WeakPolarHBondContact CA-OG1 3.24Å; A99-T103 PolarHBondContact N-OG1 3.44Å
100	G	95.1	Very high	97.7	Very high	26 Å²	26	24.5 Å²	24.5	27%	0.268	17%	0.171	S	C	.	.	S	Bend	trans	120.9	177.2	-171.2	0	0	0	0	0	112.6	N98 N102 T103	N98-G100 PolarHBondContact OD1-N 3.18Å; G100-N102 PolarHBondContact O-N 3.1Å; G100-T103 PolarHBondContact N-OG1 2.72Å; G100-T103 PolarHBondContact O-N 3.01Å; G100-T103 PolarHBondContact O-OG1 3Å
101	P	96.5	Very high	97.8	Very high	105 Å²	105	23.6 Å²	23.6	68%	0.682	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	135.7	-174.4	-26.5	35	0	0	0	113	D80 T103	D80-P101 WeakPolarHBondContact OD2-CA 3.22Å; P101-T103 VanDerWaalsContact C-N 3.28Å; P101-T103 PolarHBondContact O-N 2.79Å
102	N	96.6	Very high	97.8	Very high	87 Å²	87	22.6 Å²	22.6	47%	0.465	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	29.8	175.4	-51.1	-59.5	0	0	0	115.1	F78 A79 D80 G100	F78-N102 CarbonylContact O-C 3.51Å; A79-N102 VanDerWaalsContact CA-OD1 3.24Å; A79-N102 WeakPolarHBondContact CA-OD1 3.22Å; A79-N102 WeakPolarHBondContact CB-OD1 3.44Å; D80-N102 PolarHBondContact N-OD1 3.04Å; D80-N102 PolarHBondContact OD2-N 3.46Å; G100-N102 PolarHBondContact O-N 3.1Å
103	T	97.9	Very high	97.8	Very high	30 Å²	30	23.4 Å²	23.4	18%	0.184	16%	0.156	C	C	.	.			trans	-110.7	30.6	177.5	61.7	0	0	0	0	112.9	Y77 A99 G100 P101 G105	Y77-T103 VanDerWaalsContact CD1-C 3.49Å; Y77-T103 VanDerWaalsContact CD1-O 3.25Å; Y77-T103 WeakPolarHBondContact CD1-O 3.47Å; Y77-T103 HydrophobicContact CD2-CG2 4.23Å; Y77-T103 HydrophobicContact CE2-CG2 4.36Å; A99-T103 WeakPolarHBondContact CA-OG1 3.24Å; A99-T103 PolarHBondContact N-OG1 3.44Å; G100-T103 PolarHBondContact N-OG1 2.72Å; G100-T103 PolarHBondContact O-N 3.01Å; G100-T103 PolarHBondContact O-OG1 3Å; P101-T103 VanDerWaalsContact C-N 3.28Å; P101-T103 PolarHBondContact O-N 2.79Å; T103-G105 PolarHBondContact O-N 3.47Å
104	N	98.2	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-70	128.5	179.2	-57.4	-72.3	0	0	0	110.5	Y77 F78 A79 D80 M96	Y77-N104 CarbonylContact C-O 3.57Å; Y77-N104 VanDerWaalsContact CA-O 3.26Å; Y77-N104 WeakPolarHBondContact CA-O 3.36Å; F78-N104 HydrophobicContact CD1-CB 3.75Å; F78-N104 WeakPolarHBondContact CD1-O 3.22Å; F78-N104 HydrophobicContact CD2-CB 4Å; F78-N104 HydrophobicContact CE1-CB 3.37Å; F78-N104 WeakPolarHBondContact CE1-O 3.43Å; F78-N104 HydrophobicContact CE2-CB 3.64Å; F78-N104 HydrophobicContact CG-CB 4.05Å; F78-N104 HydrophobicContact CZ-CB 3.32Å; F78-N104 PolarHBondContact N-O 3.03Å; F78-N104 WeakPolarHBondContact O-CB 3.36Å; F78-N104 PolarHBondContact O-N 2.99Å; F78-N104 PolarHBondContact O-ND2 2.93Å; A79-N104 PolarHBondContact O-ND2 2.89Å; D80-N104 PolarHBondContact N-ND2 3.01Å; D80-N104 PolarHBondContact OD1-ND2 2.95Å; D80-N104 PolarHBondContact OD1-OD1 3.05Å; M96-N104 WeakPolarHBondContact CB-OD1 3.38Å; M96-N104 HydrophobicContact CE-CB 4.07Å
105	G	98.1	Very high	97.6	Very high	7 Å²	7	26.1 Å²	26.1	7%	0.072	17%	0.174	C	C	.	.			trans	-117.4	-116.4	176.9	0	0	0	0	0	111.6	N34 F78 M96 T103	N34-G105 PolarHBondContact ND2-O 2.75Å; F78-G105 WeakPolarHBondContact CE1-O 3.16Å; M96-G105 WeakPolarHBondContact CE-O 3.18Å; T103-G105 PolarHBondContact O-N 3.47Å
106	S	98.4	Very high	97.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-109.6	-11.8	174.1	59.8	0	0	0	0	113.9	Y43 Y44 G61 G70 A71	Y43-S106 VanDerWaalsContact CE1-CB 3.46Å; Y43-S106 WeakPolarHBondContact CE1-OG 3.23Å; Y44-S106 WeakPolarHBondContact CE1-O 3.42Å; Y44-S106 PolarHBondContact OH-O 3.42Å; G61-S106 CarbonylContact O-C 3.57Å; G61-S106 WeakPolarHBondContact O-CB 3.16Å; G61-S106 PolarHBondContact O-OG 3.41Å; G70-S106 WeakPolarHBondContact CA-OG 3.35Å; A71-S106 PolarHBondContact N-OG 3.24Å; A71-S106 WeakPolarHBondContact O-CB 3.4Å
107	Q	98.6	Very high	97.3	Very high	22 Å²	22	39.4 Å²	39.4	10%	0.103	23%	0.23	C	C	.	.			trans	-76.9	141.1	-175.4	-63.7	-168.6	38.4	0	0	111.5	H50 G60 D62 G67 G69 M96 A97	H50-Q107 PolarHBondContact CE1-OE1 3.1Å; H50-Q107 PolarHBondContact NE2-OE1 2.83Å; G60-Q107 VanDerWaalsContact O-CA 3.3Å; G60-Q107 WeakPolarHBondContact O-CA 3.23Å; D62-Q107 HydrophobicContact CB-CG 3.96Å; G67-Q107 VanDerWaalsContact C-NE2 3.33Å; G67-Q107 PolarHBondContact O-NE2 3.45Å; G69-Q107 PolarHBondContact O-NE2 3.06Å; M96-Q107 WeakPolarHBondContact CE-O 3.48Å; A97-Q107 HydrophobicContact CB-CB 3.84Å; A97-Q107 PolarHBondContact N-O 3.46Å
108	F	98.8	Very high	97.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	164	179.9	67.7	-83.7	0	0	0	109.9	L12 F35 Y44 F49 Q59 G60 V94 S95 M96 I110 F125 I155	L12-F108 HydrophobicContact CD1-CE2 4.2Å; L12-F108 HydrophobicContact CD1-CZ 3.95Å; F35-F108 HydrophobicContact CD2-CD1 4.33Å; F35-F108 AromaticContact CE2-CD1 3.63Å; F35-F108 HydrophobicContact CE2-CD1 3.63Å; F35-F108 HydrophobicContact CE2-CD2 4.4Å; F35-F108 AromaticContact CE2-CE1 3.66Å; F35-F108 HydrophobicContact CE2-CE1 3.66Å; F35-F108 HydrophobicContact CE2-CE2 4.43Å; F35-F108 HydrophobicContact CE2-CG 4.01Å; F35-F108 HydrophobicContact CE2-CZ 4.07Å; F35-F108 HydrophobicContact CZ-CE1 4.35Å; F35-F108 HydrophobicContact CZ-CZ 4.32Å; Y44-F108 HydrophobicContact CD1-CE1 4.48Å; Y44-F108 HydrophobicContact CE1-CD1 4.44Å; Y44-F108 HydrophobicContact CE1-CE1 4.18Å; F49-F108 HydrophobicContact CE1-CE2 4.35Å; F49-F108 HydrophobicContact CE1-CZ 4.37Å; Q59-F108 WeakPolarHBondContact CA-O 3.45Å; G60-F108 PolarHBondContact N-O 3.47Å; G60-F108 PolarHBondContact O-N 2.85Å; V94-F108 HydrophobicContact CG1-CD2 4.02Å; S95-F108 CarbonylContact O-C 3.52Å; S95-F108 VanDerWaalsContact O-CA 3.3Å; S95-F108 WeakPolarHBondContact O-CA 3.45Å; S95-F108 WeakPolarHBondContact O-CB 3.29Å; M96-F108 HydrophobicContact SD-CB 4.49Å; F108-I110 HydrophobicContact CD2-CG1 4.45Å; F108-I110 HydrophobicContact CE2-CD1 4.39Å; F108-I110 HydrophobicContact CE2-CG1 4.32Å; F108-F125 HydrophobicContact CB-CE1 4.1Å; F108-F125 HydrophobicContact CB-CZ 4.09Å; F108-I155 HydrophobicContact CE1-CD1 4.46Å; F108-I155 HydrophobicContact CZ-CD1 4.08Å
109	F	98.7	Very high	97.2	Very high	9 Å²	9	39.5 Å²	39.5	4%	0.039	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	156.3	171.9	63.7	-90.9	0	0	0	111.7	M57 I58 Q59 H88 V94 S95 M96 A97 T111 L118 H122	M57-F109 HydrophobicContact CB-CB 4.26Å; M57-F109 HydrophobicContact CB-CD2 4.02Å; M57-F109 HydrophobicContact CB-CG 4.49Å; M57-F109 HydrophobicContact CG-CB 4.37Å; M57-F109 HydrophobicContact CG-CD2 4.46Å; M57-F109 HydrophobicContact SD-CB 3.92Å; I58-F109 CarbonylContact O-C 3.59Å; I58-F109 WeakPolarHBondContact O-CA 3.17Å; I58-F109 WeakPolarHBondContact O-CB 3.06Å; Q59-F109 HydrophobicContact CB-CB 4.12Å; H88-F109 AromaticContact NE2-CZ 3.79Å; V94-F109 WeakPolarHBondContact CA-O 3.42Å; S95-F109 PolarHBondContact N-O 2.62Å; S95-F109 WeakPolarHBondContact O-CD1 3.39Å; S95-F109 PolarHBondContact O-N 3.38Å; M96-F109 WeakPolarHBondContact O-CE1 3.38Å; A97-F109 HydrophobicContact CB-CD1 4.25Å; F109-T111 HydrophobicContact CD2-CG2 4.24Å; F109-T111 HydrophobicContact CE2-CG2 3.98Å; F109-L118 HydrophobicContact CE2-CD1 3.83Å; F109-L118 HydrophobicContact CZ-CD1 3.71Å; F109-H122 HydrophobicContact CE1-CB 4.06Å; F109-H122 AromaticContact CE1-CG 3.91Å; F109-H122 AromaticContact CE1-ND1 3.88Å; F109-H122 HydrophobicContact CZ-CB 3.98Å
110	I	98.7	Very high	97.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125	172	-54.3	173.4	0	0	0	107.3	I19 I21 M57 I58 V93 V94 F108 V128 V135	I19-I110 HydrophobicContact CG2-CD1 4.43Å; I21-I110 HydrophobicContact CD1-CD1 4.43Å; M57-I110 CarbonylContact C-O 3.45Å; M57-I110 VanDerWaalsContact CA-O 3.25Å; M57-I110 WeakPolarHBondContact CA-O 3.13Å; M57-I110 WeakPolarHBondContact CB-O 3.39Å; I58-I110 HydrophobicContact CD1-CB 4.2Å; I58-I110 HydrophobicContact CD1-CD1 4.21Å; I58-I110 HydrophobicContact CG1-CB 3.76Å; I58-I110 HydrophobicContact CG1-CG1 4.39Å; I58-I110 PolarHBondContact N-O 2.69Å; I58-I110 PolarHBondContact O-N 2.77Å; V93-I110 WeakPolarHBondContact O-CA 3.46Å; V94-I110 HydrophobicContact CG1-CG1 4.35Å; V94-I110 HydrophobicContact CG2-CG1 4.06Å; F108-I110 HydrophobicContact CD2-CG1 4.45Å; F108-I110 HydrophobicContact CE2-CD1 4.39Å; F108-I110 HydrophobicContact CE2-CG1 4.32Å; I110-V128 HydrophobicContact CD1-CG2 4.36Å; I110-V128 HydrophobicContact CG2-CG2 3.68Å; I110-V135 HydrophobicContact CD1-CG2 4.45Å; I110-V135 HydrophobicContact CG2-CG1 3.81Å; I110-V135 HydrophobicContact CG2-CG2 4.37Å
111	T	98.6	Very high	97.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	145.1	-178.5	58.7	0	0	0	0	111.9	G90 A91 G92 V93 F109	G90-T111 PolarHBondContact O-OG1 3.37Å; A91-T111 CarbonylContact C-O 3.52Å; A91-T111 WeakPolarHBondContact CA-O 3.33Å; G92-T111 PolarHBondContact N-O 2.85Å; G92-T111 PolarHBondContact N-OG1 2.95Å; V93-T111 HydrophobicContact CB-CG2 4.06Å; V93-T111 WeakPolarHBondContact CB-OG1 3.25Å; V93-T111 PolarHBondContact N-OG1 3.21Å; V93-T111 PolarHBondContact O-N 3.32Å; V93-T111 PolarHBondContact O-OG1 2.94Å; F109-T111 HydrophobicContact CD2-CG2 4.24Å; F109-T111 HydrophobicContact CE2-CG2 3.98Å
112	L	98.2	Very high	97.4	Very high	28 Å²	28	38.7 Å²	38.7	15%	0.147	20%	0.203	C	C	.	.	S	Bend	trans	-106.7	-14.8	173.6	-66.8	170.8	0	0	0	112.7	I53 F56 I58 A91 V135 G139	I53-L112 WeakPolarHBondContact O-CD1 3.42Å; F56-L112 PolarHBondContact O-N 3.38Å; I58-L112 HydrophobicContact CG2-CD1 3.97Å; I58-L112 HydrophobicContact CG2-CD2 4.44Å; I58-L112 HydrophobicContact CG2-CG 4.38Å; A91-L112 WeakPolarHBondContact CB-O 3.44Å; L112-V135 HydrophobicContact CD2-CG1 3.77Å; L112-G139 VanDerWaalsContact CD1-CA 3.44Å
113	A	97.3	Very high	97.5	Very high	21 Å²	21	34.5 Å²	34.5	17%	0.174	18%	0.181	C	C	.	.	S	Bend	trans	-150.3	175.2	177.8	0	0	0	0	0	109.6	D55 T115	D55-A113 WeakPolarHBondContact O-CB 3.19Å; A113-T115 PolarHBondContact O-N 2.87Å
114	P	97.4	Very high	97.6	Very high	72 Å²	72	33.6 Å²	33.6	47%	0.468	18%	0.175	S	C	.	.			trans	-61.1	132	168.1	-19.6	31.8	0	0	0	111.5	H88 T89	H88-P114 WeakPolarHBondContact O-CA 3.45Å; T89-P114 WeakPolarHBondContact O-CG 3.38Å
115	T	96	Very high	97.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.			trans	-134.7	47.7	-174.7	57.2	0	0	0	0	112.2	F56 H88 A113 W117 L118	F56-T115 HydrophobicContact CD2-CG2 3.4Å; F56-T115 VanDerWaalsContact CD2-CG2 3.4Å; F56-T115 HydrophobicContact CE2-CG2 3.66Å; H88-T115 WeakPolarHBondContact CB-OG1 3.36Å; H88-T115 PolarHBondContact O-N 3.35Å; A113-T115 PolarHBondContact O-N 2.87Å; T115-W117 HydrophobicContact CG2-CH2 3.96Å; T115-W117 HydrophobicContact CG2-CZ2 3.72Å; T115-W117 PolarHBondContact O-N 3.06Å; T115-L118 VanDerWaalsContact O-CB 3.29Å; T115-L118 WeakPolarHBondContact O-CB 3.44Å; T115-L118 WeakPolarHBondContact O-CG 3.17Å; T115-L118 PolarHBondContact O-N 3.2Å
116	Q	94.9	Very high	97.6	Very high	126 Å²	126	33.2 Å²	33.2	59%	0.589	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-56.4	-21.8	-172	-64.5	178	9.1	0	0	114.9	L118 D119	Q116-L118 PolarHBondContact O-N 2.74Å; Q116-L118 VanDerWaalsContact O-N 3.14Å; Q116-D119 WeakPolarHBondContact CA-OD2 3.42Å; Q116-D119 VanDerWaalsContact O-CB 3.22Å; Q116-D119 WeakPolarHBondContact O-CB 3.42Å; Q116-D119 VanDerWaalsContact O-CG 3.23Å; Q116-D119 PolarHBondContact O-N 3.49Å
117	W	96.3	Very high	97.6	Very high	153 Å²	153	38.4 Å²	38.4	58%	0.58	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-64.8	-13.1	173.7	58	86.8	0	0	0	114.1	F56 T115 K121	F56-W117 AromaticContact CD2-CZ2 3.66Å; F56-W117 HydrophobicContact CD2-CZ2 3.66Å; F56-W117 AromaticContact CE2-CE2 3.92Å; F56-W117 AromaticContact CE2-CZ2 3.65Å; F56-W117 HydrophobicContact CE2-CZ2 3.65Å; F56-W117 AromaticContact CE2-NE1 3.63Å; T115-W117 HydrophobicContact CG2-CH2 3.96Å; T115-W117 HydrophobicContact CG2-CZ2 3.72Å; T115-W117 PolarHBondContact O-N 3.06Å; W117-K121 PolarHBondContact O-NZ 2.97Å
118	L	96.9	Very high	97.6	Very high	17 Å²	17	38 Å²	38	9%	0.089	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-89.3	-9.8	172.8	-58.5	-173.1	0	0	0	113	F56 F109 T115 Q116 G120 K121 H122	F56-L118 HydrophobicContact CE2-CD1 3.87Å; F56-L118 HydrophobicContact CE2-CG 4.46Å; F56-L118 HydrophobicContact CZ-CD1 4.11Å; F109-L118 HydrophobicContact CE2-CD1 3.83Å; F109-L118 HydrophobicContact CZ-CD1 3.71Å; T115-L118 VanDerWaalsContact O-CB 3.29Å; T115-L118 WeakPolarHBondContact O-CB 3.44Å; T115-L118 WeakPolarHBondContact O-CG 3.17Å; T115-L118 PolarHBondContact O-N 3.2Å; Q116-L118 PolarHBondContact O-N 2.74Å; Q116-L118 VanDerWaalsContact O-N 3.14Å; L118-G120 PolarHBondContact O-N 3.34Å; L118-K121 PolarHBondContact O-N 2.87Å; L118-K121 VanDerWaalsContact O-N 3.07Å; L118-H122 PolarHBondContact O-N 3.35Å
119	D	95.9	Very high	97.6	Very high	37 Å²	37	40.2 Å²	40.2	20%	0.198	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	133.7	-179.2	-66.3	-21.9	0	0	0	110.9	K87 H88 Q116 K121	K87-D119 WeakPolarHBondContact CA-OD1 3.48Å; K87-D119 HydrophobicContact CD-CB 3.98Å; K87-D119 VanDerWaalsContact CD-OD2 3.29Å; K87-D119 WeakPolarHBondContact CD-OD2 3.38Å; H88-D119 IonicContact CE1-OD1 3.66Å; H88-D119 IonicContact CG-OD1 3.18Å; H88-D119 PolarHBondContact N-OD1 2.89Å; H88-D119 IonicContact ND1-OD1 3.41Å; H88-D119 PolarHBondContact ND1-OD1 3.31Å; Q116-D119 WeakPolarHBondContact CA-OD2 3.42Å; Q116-D119 VanDerWaalsContact O-CB 3.22Å; Q116-D119 WeakPolarHBondContact O-CB 3.42Å; Q116-D119 VanDerWaalsContact O-CG 3.23Å; Q116-D119 PolarHBondContact O-N 3.49Å; D119-K121 PolarHBondContact O-N 2.97Å
120	G	95.4	Very high	97.6	Very high	46 Å²	46	41.8 Å²	41.8	47%	0.474	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	-1.7	-176.8	0	0	0	0	0	115.4	L118	L118-G120 PolarHBondContact O-N 3.34Å
121	K	97.2	Very high	97.5	Very high	125 Å²	125	42.9 Å²	42.9	54%	0.543	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-26.3	179.7	-60.7	174.9	-174.5	161	0	113.7	N98 W117 L118 D119	N98-K121 PolarHBondContact ND2-O 2.93Å; W117-K121 PolarHBondContact O-NZ 2.97Å; L118-K121 PolarHBondContact O-N 2.87Å; L118-K121 VanDerWaalsContact O-N 3.07Å; D119-K121 PolarHBondContact O-N 2.97Å
122	H	98.1	Very high	97.5	Very high	32 Å²	32	45.4 Å²	45.4	15%	0.148	24%	0.244	C	C	.	.	S	Bend	trans	-127.5	134.2	-177.6	-62.8	-81.7	0	0	0	110.1	S95 M96 N98 F109 L118 I124	S95-H122 VanDerWaalsContact OG-CB 3.29Å; S95-H122 WeakPolarHBondContact OG-CB 3.46Å; M96-H122 PolarHBondContact O-ND1 3.39Å; N98-H122 PolarHBondContact OD1-CE1 3.02Å; N98-H122 VanDerWaalsContact OD1-CE1 3.24Å; F109-H122 HydrophobicContact CE1-CB 4.06Å; F109-H122 AromaticContact CE1-CG 3.91Å; F109-H122 AromaticContact CE1-ND1 3.88Å; F109-H122 HydrophobicContact CZ-CB 3.98Å; L118-H122 PolarHBondContact O-N 3.35Å; H122-I124 PolarHBondContact O-N 3.36Å
123	T	98.6	Very high	97.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.27	C	S	.	.			trans	-73.9	109.1	-179.5	-61.3	0	0	0	0	110.1	A28 T31 D80 E81 S95 M96 F125	A28-T123 HydrophobicContact CB-CG2 3.93Å; T31-T123 HydrophobicContact CG2-CG2 4.16Å; T31-T123 WeakPolarHBondContact OG1-CG2 3.06Å; D80-T123 WeakPolarHBondContact CA-OG1 3.29Å; E81-T123 HydrophobicContact CB-CG2 3.77Å; E81-T123 PolarHBondContact N-OG1 2.78Å; S95-T123 CarbonylContact C-O 3.51Å; S95-T123 VanDerWaalsContact CA-O 3.28Å; S95-T123 WeakPolarHBondContact CA-O 3.49Å; S95-T123 PolarHBondContact OG-O 3.35Å; M96-T123 PolarHBondContact N-O 2.97Å; T123-F125 PolarHBondContact O-N 2.99Å
124	I	98.7	Very high	97.5	Very high	10 Å²	10	51.2 Å²	51.2	5%	0.051	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	120.7	169.3	-62.9	169.3	0	0	0	108	Y24 L86 K87 V93 H122	Y24-I124 HydrophobicContact CD2-CG2 4.22Å; Y24-I124 HydrophobicContact CE2-CG2 4.17Å; L86-I124 HydrophobicContact CB-CB 4.12Å; L86-I124 HydrophobicContact CB-CD1 3.99Å; L86-I124 HydrophobicContact CB-CG2 4.29Å; L86-I124 HydrophobicContact CD1-CB 4.19Å; L86-I124 HydrophobicContact CD1-CG2 4.11Å; K87-I124 VanDerWaalsContact C-CD1 3.43Å; V93-I124 HydrophobicContact CG1-CB 4.4Å; V93-I124 HydrophobicContact CG1-CD1 4.05Å; V93-I124 HydrophobicContact CG1-CG1 3.9Å; V93-I124 HydrophobicContact CG1-CG2 3.67Å; H122-I124 PolarHBondContact O-N 3.36Å
125	F	98.7	Very high	97.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	1.5	-176.5	70.8	-90.6	0	0	0	113.7	L23 Y24 A28 T31 C32 F35 V94 M96 F108 T123	L23-F125 HydrophobicContact CD2-CD2 4.04Å; L23-F125 HydrophobicContact CD2-CE2 4.17Å; Y24-F125 PolarHBondContact N-O 2.92Å; A28-F125 HydrophobicContact CB-CB 3.85Å; T31-F125 HydrophobicContact CG2-CB 3.49Å; T31-F125 VanDerWaalsContact CG2-CB 3.49Å; T31-F125 HydrophobicContact CG2-CD1 3.56Å; T31-F125 HydrophobicContact CG2-CD2 4.25Å; T31-F125 HydrophobicContact CG2-CE1 4.31Å; T31-F125 HydrophobicContact CG2-CG 3.51Å; C32-F125 PolarHBondContact SG-O 3.48Å; C32-F125 VanDerWaalsContact SG-O 3.4Å; F35-F125 HydrophobicContact CB-CD2 4.42Å; F35-F125 HydrophobicContact CB-CE2 3.87Å; F35-F125 HydrophobicContact CB-CZ 4.39Å; F35-F125 AromaticContact CD1-CE2 3.58Å; F35-F125 HydrophobicContact CD1-CE2 3.58Å; F35-F125 HydrophobicContact CD1-CZ 4.29Å; F35-F125 AromaticContact CD2-CE2 3.96Å; F35-F125 HydrophobicContact CD2-CE2 3.96Å; F35-F125 AromaticContact CD2-CZ 3.88Å; F35-F125 HydrophobicContact CD2-CZ 3.88Å; F35-F125 HydrophobicContact CE1-CE2 4.03Å; F35-F125 HydrophobicContact CE2-CE2 4.41Å; F35-F125 HydrophobicContact CE2-CZ 4.2Å; F35-F125 HydrophobicContact CG-CD2 4.47Å; F35-F125 AromaticContact CG-CE2 3.52Å; F35-F125 HydrophobicContact CG-CE2 3.52Å; F35-F125 AromaticContact CG-CZ 3.93Å; F35-F125 HydrophobicContact CG-CZ 3.93Å; F35-F125 HydrophobicContact CZ-CE2 4.44Å; V94-F125 HydrophobicContact CB-CZ 4.39Å; V94-F125 HydrophobicContact CG1-CE1 3.78Å; V94-F125 HydrophobicContact CG1-CE2 3.94Å; V94-F125 HydrophobicContact CG1-CZ 3.39Å; V94-F125 PolarHBondContact O-N 2.97Å; V94-F125 VanDerWaalsContact O-N 3.09Å; M96-F125 HydrophobicContact CG-CD1 3.93Å; M96-F125 HydrophobicContact CG-CE1 4.02Å; M96-F125 HydrophobicContact SD-CD1 4.12Å; M96-F125 HydrophobicContact SD-CE1 3.69Å; M96-F125 HydrophobicContact SD-CZ 4.36Å; F108-F125 HydrophobicContact CB-CE1 4.1Å; F108-F125 HydrophobicContact CB-CZ 4.09Å; T123-F125 PolarHBondContact O-N 2.99Å
126	G	98.5	Very high	97.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	-174.5	177.1	0	0	0	0	0	114.2	E22 V94	E22-G126 CarbonylContact O-C 3.52Å; E22-G126 WeakPolarHBondContact O-CA 2.97Å; V94-G126 PolarHBondContact N-O 3Å; V94-G126 PolarHBondContact O-N 3Å
127	R	98.5	Very high	97.6	Very high	109 Å²	109	51.9 Å²	51.9	41%	0.411	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	159.1	170.8	68.1	168.8	-173.1	-103.5	-1.6	111.1	I21 E22 Y24 G92 A129	I21-R127 CarbonylContact C-O 3.57Å; I21-R127 WeakPolarHBondContact CA-O 3.36Å; E22-R127 HydrophobicContact CB-CG 4.37Å; E22-R127 PolarHBondContact N-O 3.26Å; E22-R127 PolarHBondContact O-N 3.39Å; E22-R127 IonicContact OE1-CZ 3.78Å; E22-R127 IonicContact OE1-NH2 2.74Å; E22-R127 PolarHBondContact OE1-NH2 3.08Å; E22-R127 IonicContact OE2-CZ 3.48Å; E22-R127 IonicContact OE2-NE 2.99Å; E22-R127 PolarHBondContact OE2-NE 2.66Å; E22-R127 IonicContact OE2-NH1 3.89Å; E22-R127 IonicContact OE2-NH2 3.77Å; E22-R127 PolarHBondContact OE2-NH2 2.7Å; Y24-R127 HydrophobicContact CE1-CG 4.13Å; Y24-R127 WeakPolarHBondContact OH-CB 3.45Å; Y24-R127 WeakPolarHBondContact OH-CD 3.17Å; Y24-R127 WeakPolarHBondContact OH-CG 3.24Å; Y24-R127 PolarHBondContact OH-NH1 3.44Å; G92-R127 CarbonylContact O-C 3.56Å; G92-R127 WeakPolarHBondContact O-CA 3.35Å; R127-A129 PolarHBondContact O-N 2.94Å
128	V	98.5	Very high	97.5	Very high	14 Å²	14	44.6 Å²	44.6	9%	0.085	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	113.1	170.9	-179.9	0	0	0	0	109	I19 T20 G92 V94 I110 S130 M132 V135	I19-V128 HydrophobicContact CG2-CG1 3.98Å; I19-V128 HydrophobicContact CG2-CG2 4.1Å; T20-V128 CarbonylContact O-C 3.38Å; T20-V128 WeakPolarHBondContact O-CA 3.34Å; G92-V128 PolarHBondContact O-N 3.45Å; V94-V128 HydrophobicContact CG2-CG2 4.32Å; I110-V128 HydrophobicContact CD1-CG2 4.36Å; I110-V128 HydrophobicContact CG2-CG2 3.68Å; V128-S130 WeakPolarHBondContact CG1-O 3.32Å; V128-M132 HydrophobicContact CB-CG 4.12Å; V128-M132 HydrophobicContact CB-SD 3.54Å; V128-M132 VanDerWaalsContact CB-SD 3.54Å; V128-M132 HydrophobicContact CG1-CG 3.72Å; V128-M132 HydrophobicContact CG1-SD 3.61Å; V128-M132 HydrophobicContact CG2-SD 3.91Å; V128-V135 HydrophobicContact CG1-CG2 4.48Å; V128-V135 HydrophobicContact CG2-CG2 4.13Å
129	A	98.1	Very high	97.5	Very high	46 Å²	46	44 Å²	44	38%	0.38	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-38	174.6	0	0	0	0	0	111.9	F9 T20 E22 R127	F9-A129 HydrophobicContact CD1-CB 4.15Å; F9-A129 HydrophobicContact CE1-CB 3.92Å; T20-A129 HydrophobicContact CG2-CB 4.43Å; T20-A129 PolarHBondContact O-N 3.21Å; E22-A129 HydrophobicContact CB-CB 4.11Å; R127-A129 PolarHBondContact O-N 2.94Å
130	S	98.1	Very high	97.5	Very high	42 Å²	42	47.9 Å²	47.9	29%	0.294	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	155.9	175	76.3	0	0	0	0	111	T20 V128	T20-S130 WeakPolarHBondContact CB-OG 3.22Å; T20-S130 PolarHBondContact N-O 2.73Å; T20-S130 PolarHBondContact O-N 3.42Å; T20-S130 PolarHBondContact OG1-OG 2.87Å; V128-S130 WeakPolarHBondContact CG1-O 3.32Å
131	G	97.9	Very high	97.5	Very high	22 Å²	22	47.1 Å²	47.1	23%	0.227	23%	0.232	C	C	.	.			trans	91.5	17.1	-178	0	0	0	0	0	115.3	T18 K133 V134 V135	T18-G131 WeakPolarHBondContact O-CA 3.49Å; G131-K133 PolarHBondContact O-N 3.34Å; G131-V134 WeakPolarHBondContact O-CA 3.01Å; G131-V134 VanDerWaalsContact O-CB 3.24Å; G131-V134 WeakPolarHBondContact O-CB 3.35Å; G131-V134 PolarHBondContact O-N 2.84Å; G131-V135 PolarHBondContact O-N 3.27Å; G131-V135 VanDerWaalsContact O-N 3.16Å
132	M	98.1	Very high	97.5	Very high	53 Å²	53	46.2 Å²	46.2	26%	0.261	23%	0.233	S	C	.	.	H	α-helix	trans	-57.1	-31.7	176	-81.8	-57.9	-76.4	0	0	113.9	A91 G92 V128 V134 V135 Q136	A91-M132 HydrophobicContact CB-CE 3.7Å; G92-M132 VanDerWaalsContact CA-SD 3.56Å; V128-M132 HydrophobicContact CB-CG 4.12Å; V128-M132 HydrophobicContact CB-SD 3.54Å; V128-M132 VanDerWaalsContact CB-SD 3.54Å; V128-M132 HydrophobicContact CG1-CG 3.72Å; V128-M132 HydrophobicContact CG1-SD 3.61Å; V128-M132 HydrophobicContact CG2-SD 3.91Å; M132-V134 VanDerWaalsContact C-N 3.27Å; M132-V134 PolarHBondContact O-N 3Å; M132-V135 PolarHBondContact O-N 3.38Å; M132-V135 HydrophobicContact SD-CB 4.31Å; M132-V135 HydrophobicContact SD-CG1 4.48Å; M132-V135 HydrophobicContact SD-CG2 4.41Å; M132-Q136 WeakPolarHBondContact O-CB 3.41Å; M132-Q136 VanDerWaalsContact O-CG 3.31Å; M132-Q136 WeakPolarHBondContact O-CG 3.4Å; M132-Q136 PolarHBondContact O-N 2.92Å
133	K	97.7	Very high	97.4	Very high	160 Å²	160	46.6 Å²	46.6	70%	0.696	24%	0.238	S	C	*	.	H	α-helix	trans	-62.9	-32.8	172.3	-68.7	-176.7	179.7	178.7	0	112.5	G131 R137	G131-K133 PolarHBondContact O-N 3.34Å; K133-R137 WeakPolarHBondContact O-CG 3.46Å; K133-R137 PolarHBondContact O-N 2.84Å; K133-R137 VanDerWaalsContact O-N 3.16Å
134	V	97.8	Very high	97.3	Very high	11 Å²	11	49.4 Å²	49.4	7%	0.067	25%	0.253	C	S	.	.	H	α-helix	trans	-67.6	-51.1	174	-177.8	0	0	0	0	108.8	Q16 I19 G131 M132 Q136 R137 L138	Q16-V134 HydrophobicContact CB-CG1 4.05Å; I19-V134 HydrophobicContact CD1-CB 4.48Å; I19-V134 HydrophobicContact CD1-CG1 4.06Å; I19-V134 HydrophobicContact CG1-CB 3.98Å; I19-V134 HydrophobicContact CG1-CG1 3.92Å; G131-V134 WeakPolarHBondContact O-CA 3.01Å; G131-V134 VanDerWaalsContact O-CB 3.24Å; G131-V134 WeakPolarHBondContact O-CB 3.35Å; G131-V134 PolarHBondContact O-N 2.84Å; M132-V134 VanDerWaalsContact C-N 3.27Å; M132-V134 PolarHBondContact O-N 3Å; V134-Q136 VanDerWaalsContact C-N 3.31Å; V134-Q136 PolarHBondContact O-N 3.13Å; V134-R137 WeakPolarHBondContact O-CB 3.13Å; V134-R137 PolarHBondContact O-N 3.44Å; V134-L138 HydrophobicContact CG1-CD1 4.45Å; V134-L138 HydrophobicContact CG1-CG 4.39Å; V134-L138 WeakPolarHBondContact O-CG 3.26Å; V134-L138 PolarHBondContact O-N 3.43Å
135	V	97.8	Very high	97.2	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-54.9	-45	178.1	175.7	0	0	0	0	111.8	I19 I58 I110 L112 V128 G131 M132 L138 G139	I19-V135 HydrophobicContact CD1-CG2 3.72Å; I19-V135 HydrophobicContact CG1-CG2 4Å; I19-V135 HydrophobicContact CG2-CG2 4.08Å; I58-V135 HydrophobicContact CD1-CG1 4.01Å; I110-V135 HydrophobicContact CD1-CG2 4.45Å; I110-V135 HydrophobicContact CG2-CG1 3.81Å; I110-V135 HydrophobicContact CG2-CG2 4.37Å; L112-V135 HydrophobicContact CD2-CG1 3.77Å; V128-V135 HydrophobicContact CG1-CG2 4.48Å; V128-V135 HydrophobicContact CG2-CG2 4.13Å; G131-V135 PolarHBondContact O-N 3.27Å; G131-V135 VanDerWaalsContact O-N 3.16Å; M132-V135 PolarHBondContact O-N 3.38Å; M132-V135 HydrophobicContact SD-CB 4.31Å; M132-V135 HydrophobicContact SD-CG1 4.48Å; M132-V135 HydrophobicContact SD-CG2 4.41Å; V135-L138 WeakPolarHBondContact O-CB 3.4Å; V135-L138 PolarHBondContact O-N 3.32Å; V135-G139 PolarHBondContact O-N 3.24Å
136	Q	96.6	Very high	97	Very high	104 Å²	104	61.8 Å²	61.8	49%	0.486	32%	0.32	S	S	.	.	H	α-helix	trans	-61.6	-44.1	176	-74	170.8	-19.8	0	0	112.3	M132 V134 L138 G139 M140	M132-Q136 WeakPolarHBondContact O-CB 3.41Å; M132-Q136 VanDerWaalsContact O-CG 3.31Å; M132-Q136 WeakPolarHBondContact O-CG 3.4Å; M132-Q136 PolarHBondContact O-N 2.92Å; V134-Q136 VanDerWaalsContact C-N 3.31Å; V134-Q136 PolarHBondContact O-N 3.13Å; Q136-L138 VanDerWaalsContact C-N 3.34Å; Q136-L138 PolarHBondContact O-N 3.02Å; Q136-G139 PolarHBondContact O-N 2.66Å; Q136-M140 WeakPolarHBondContact O-CG 3.38Å; Q136-M140 PolarHBondContact O-N 3.33Å
137	R	95.5	Very high	96.9	Very high	108 Å²	108	64.9 Å²	64.9	41%	0.408	34%	0.335	S	S	.	.	H	α-helix	trans	-61.1	-43.1	174.3	-74.5	-168.1	-56.5	-93.3	6.7	111.8	Q16 K133 V134 G139 M140 V141	Q16-R137 PolarHBondContact O-NH2 3.37Å; K133-R137 WeakPolarHBondContact O-CG 3.46Å; K133-R137 PolarHBondContact O-N 2.84Å; K133-R137 VanDerWaalsContact O-N 3.16Å; V134-R137 WeakPolarHBondContact O-CB 3.13Å; V134-R137 PolarHBondContact O-N 3.44Å; R137-G139 VanDerWaalsContact C-N 3.25Å; R137-G139 PolarHBondContact O-N 3.21Å; R137-M140 HydrophobicContact CG-CE 4.38Å; R137-M140 PolarHBondContact O-N 2.73Å; R137-V141 WeakPolarHBondContact O-CG1 3.25Å
138	L	95.4	Very high	96.8	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-58	-39.4	175.2	-65.3	-173.2	0	0	0	111.8	Q16 I19 F49 V52 I58 V134 V135 Q136 M140 V141 I153	Q16-L138 HydrophobicContact CB-CD2 3.67Å; Q16-L138 HydrophobicContact CG-CD2 3.52Å; I19-L138 HydrophobicContact CD1-CD1 4.06Å; F49-L138 HydrophobicContact CD2-CD1 4.25Å; F49-L138 HydrophobicContact CE2-CD1 4.05Å; F49-L138 HydrophobicContact CZ-CD1 4.46Å; V52-L138 WeakPolarHBondContact CG1-O 3.32Å; I58-L138 HydrophobicContact CD1-CB 4.04Å; I58-L138 HydrophobicContact CD1-CD1 3.68Å; I58-L138 HydrophobicContact CD1-CG 4.48Å; I58-L138 HydrophobicContact CG2-CB 4.15Å; V134-L138 HydrophobicContact CG1-CD1 4.45Å; V134-L138 HydrophobicContact CG1-CG 4.39Å; V134-L138 WeakPolarHBondContact O-CG 3.26Å; V134-L138 PolarHBondContact O-N 3.43Å; V135-L138 WeakPolarHBondContact O-CB 3.4Å; V135-L138 PolarHBondContact O-N 3.32Å; Q136-L138 VanDerWaalsContact C-N 3.34Å; Q136-L138 PolarHBondContact O-N 3.02Å; L138-M140 PolarHBondContact O-N 2.81Å; L138-V141 VanDerWaalsContact O-CG2 3.22Å; L138-V141 WeakPolarHBondContact O-CG2 3.48Å; L138-I153 HydrophobicContact CD1-CG2 4.28Å; L138-I153 HydrophobicContact CD2-CB 4.38Å; L138-I153 HydrophobicContact CD2-CD1 3.81Å; L138-I153 HydrophobicContact CD2-CG1 4.32Å; L138-I153 HydrophobicContact CD2-CG2 3.26Å; L138-I153 HydrophobicContact CG-CG2 4.38Å
139	G	96.2	Very high	96.7	Very high	4 Å²	4	64.8 Å²	64.8	4%	0.041	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.2	177	0	0	0	0	0	115.8	L112 V135 Q136 R137	L112-G139 VanDerWaalsContact CD1-CA 3.44Å; V135-G139 PolarHBondContact O-N 3.24Å; Q136-G139 PolarHBondContact O-N 2.66Å; R137-G139 VanDerWaalsContact C-N 3.25Å; R137-G139 PolarHBondContact O-N 3.21Å
140	M	95.4	Very high	96.6	Very high	118 Å²	118	70.6 Å²	70.6	58%	0.581	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-5.9	-177.5	-69	-172.6	-64.3	0	0	114.1	R54 Q136 R137 L138	R54-M140 PolarHBondContact NH2-O 2.91Å; Q136-M140 WeakPolarHBondContact O-CG 3.38Å; Q136-M140 PolarHBondContact O-N 3.33Å; R137-M140 HydrophobicContact CG-CE 4.38Å; R137-M140 PolarHBondContact O-N 2.73Å; L138-M140 PolarHBondContact O-N 2.81Å
141	V	95.8	Very high	96.4	Very high	30 Å²	30	75.1 Å²	75.1	18%	0.182	36%	0.364	C	S	.	.	S	Bend	trans	-62.5	155.1	-177.9	-57	0	0	0	0	112.5	V52 R137 L138 V143 P149 I153	V52-V141 HydrophobicContact CB-CG2 4.47Å; V52-V141 HydrophobicContact CG1-CG2 4.13Å; V52-V141 HydrophobicContact CG2-CG2 4.48Å; R137-V141 WeakPolarHBondContact O-CG1 3.25Å; L138-V141 VanDerWaalsContact O-CG2 3.22Å; L138-V141 WeakPolarHBondContact O-CG2 3.48Å; V141-V143 HydrophobicContact CG2-CG1 4.33Å; V141-P149 HydrophobicContact CG2-CB 4.06Å; V141-P149 HydrophobicContact CG2-CG 4.14Å; V141-I153 HydrophobicContact CB-CD1 4.03Å; V141-I153 HydrophobicContact CG1-CD1 3.57Å; V141-I153 HydrophobicContact CG2-CD1 3.72Å
142	D	96.6	Very high	96.2	Very high	106 Å²	106	79.3 Å²	79.3	57%	0.567	38%	0.381	S	S	*	.			trans	-72.9	137.6	174.2	-168.8	32.8	0	0	0	110.9	P149 R150	D142-P149 WeakPolarHBondContact O-CA 3.41Å; D142-R150 PolarHBondContact O-N 3.4Å; D142-R150 WeakPolarHBondContact OD2-CD 3.41Å; D142-R150 IonicContact OD2-NE 2.72Å; D142-R150 PolarHBondContact OD2-NE 3.22Å
143	V	97.1	Very high	96.1	Very high	41 Å²	41	76.9 Å²	76.9	25%	0.248	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-125.2	155.2	-176.3	-60	0	0	0	0	111.4	V52 V141 R148	V52-V143 HydrophobicContact CB-CG1 4.06Å; V52-V143 HydrophobicContact CG1-CG1 4.38Å; V141-V143 HydrophobicContact CG2-CG1 4.33Å; V143-R148 CarbonylContact C-O 3.47Å; V143-R148 WeakPolarHBondContact CA-O 3.49Å; V143-R148 WeakPolarHBondContact CB-O 3.31Å
144	D	96.4	Very high	96.1	Very high	59 Å²	59	72 Å²	72	32%	0.316	35%	0.348	S	S	.	.			trans	-79.8	-176.3	170.2	73.6	10	0	0	0	112.2	A146 E147 R148	D144-A146 PolarHBondContact O-N 2.8Å; D144-A146 VanDerWaalsContact OD1-C 3.29Å; D144-A146 VanDerWaalsContact OD1-CA 3.28Å; D144-A146 WeakPolarHBondContact OD1-CA 3.3Å; D144-A146 WeakPolarHBondContact OD1-CB 3.41Å; D144-A146 PolarHBondContact OD1-N 2.72Å; D144-E147 PolarHBondContact O-N 3.33Å; D144-E147 PolarHBondContact OD1-N 3.42Å; D144-R148 PolarHBondContact N-O 2.9Å; D144-R148 WeakPolarHBondContact OD1-CB 3.24Å; D144-R148 PolarHBondContact OD1-N 3.11Å
145	Q	95.5	Very high	96.1	Very high	209 Å²	209	71.5 Å²	71.5	98%	0.977	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-17	179	-66.5	179.6	-8.1	0	0	113.8	E147	Q145-E147 VanDerWaalsContact C-N 3.34Å
146	A	94.8	Very high	96.1	Very high	60 Å²	60	75.5 Å²	75.5	50%	0.496	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	16.5	175.8	0	0	0	0	0	112	D144 R148	D144-A146 PolarHBondContact O-N 2.8Å; D144-A146 VanDerWaalsContact OD1-C 3.29Å; D144-A146 VanDerWaalsContact OD1-CA 3.28Å; D144-A146 WeakPolarHBondContact OD1-CA 3.3Å; D144-A146 WeakPolarHBondContact OD1-CB 3.41Å; D144-A146 PolarHBondContact OD1-N 2.72Å; A146-R148 HydrophobicContact CB-CG 4.18Å; A146-R148 PolarHBondContact O-N 3.22Å
147	E	96.4	Very high	96.2	Very high	65 Å²	65	77.1 Å²	77.1	30%	0.304	37%	0.367	S	S	.	.	S	Bend	trans	62.5	21.1	179.7	-54	163.7	142.3	0	0	112.7	R51 V52 I53 D144 Q145	R51-E147 CarbonylContact C-O 3.37Å; R51-E147 WeakPolarHBondContact CA-O 3.28Å; R51-E147 HydrophobicContact CG-CB 3.93Å; R51-E147 IonicContact CZ-OE2 2.65Å; R51-E147 IonicContact NE-OE2 2.8Å; R51-E147 PolarHBondContact NE-OE2 3.46Å; R51-E147 IonicContact NH2-OE1 3.2Å; R51-E147 IonicContact NH2-OE2 3.17Å; R51-E147 PolarHBondContact NH2-OE2 2.82Å; V52-E147 PolarHBondContact N-O 2.79Å; I53-E147 VanDerWaalsContact CD1-CD 3.42Å; I53-E147 HydrophobicContact CD1-CG 4.47Å; I53-E147 WeakPolarHBondContact CD1-OE1 3.49Å; I53-E147 WeakPolarHBondContact CD1-OE2 3.3Å; I53-E147 HydrophobicContact CG1-CB 4.12Å; I53-E147 HydrophobicContact CG1-CG 4.07Å; I53-E147 WeakPolarHBondContact CG1-OE1 3.29Å; D144-E147 PolarHBondContact O-N 3.33Å; D144-E147 PolarHBondContact OD1-N 3.42Å; Q145-E147 VanDerWaalsContact C-N 3.34Å
148	R	96.4	Very high	96.3	Very high	102 Å²	102	72 Å²	72	39%	0.385	35%	0.348	S	S	.	.			trans	-88.3	131.9	177.5	-57.9	-174.3	160.8	-166.9	-3.6	110	H50 T66 V143 D144 A146 R150	H50-R148 WeakPolarHBondContact O-CG 3.36Å; T66-R148 PolarHBondContact O-NH2 3.01Å; T66-R148 VanDerWaalsContact O-NH2 3.08Å; V143-R148 CarbonylContact C-O 3.47Å; V143-R148 WeakPolarHBondContact CA-O 3.49Å; V143-R148 WeakPolarHBondContact CB-O 3.31Å; D144-R148 PolarHBondContact N-O 2.9Å; D144-R148 WeakPolarHBondContact OD1-CB 3.24Å; D144-R148 PolarHBondContact OD1-N 3.11Å; A146-R148 HydrophobicContact CB-CG 4.18Å; A146-R148 PolarHBondContact O-N 3.22Å; R148-R150 PolarHBondContact O-N 2.87Å
149	P	96.7	Very high	96.3	Very high	20 Å²	20	74.5 Å²	74.5	13%	0.13	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-53.4	130.3	171.7	-28.7	37.6	0	0	0	111.8	V52 V141 D142 E151 I153	V52-P149 HydrophobicContact CB-CG 4.14Å; V52-P149 HydrophobicContact CG2-CG 3.54Å; V141-P149 HydrophobicContact CG2-CB 4.06Å; V141-P149 HydrophobicContact CG2-CG 4.14Å; D142-P149 WeakPolarHBondContact O-CA 3.41Å; P149-E151 VanDerWaalsContact C-N 3.32Å; P149-E151 VanDerWaalsContact CB-O 3.23Å; P149-E151 WeakPolarHBondContact CB-O 3.42Å; P149-I153 HydrophobicContact CB-CD1 3.86Å; P149-I153 HydrophobicContact CB-CG1 4.23Å; P149-I153 HydrophobicContact CG-CD1 4.05Å
150	R	95.9	Very high	96.3	Very high	168 Å²	168	76.1 Å²	76.1	63%	0.634	37%	0.37	S	S	*	.	S	Bend	trans	-67.6	-37.2	175.5	-67.4	-166	-173.3	-88.5	-6.4	111.9	D142 R148	D142-R150 PolarHBondContact O-N 3.4Å; D142-R150 WeakPolarHBondContact OD2-CD 3.41Å; D142-R150 IonicContact OD2-NE 2.72Å; D142-R150 PolarHBondContact OD2-NE 3.22Å; R148-R150 PolarHBondContact O-N 2.87Å
151	E	94.2	Very high	96.3	Very high	136 Å²	136	72.2 Å²	72.2	64%	0.636	35%	0.353	S	S	*	.	S	Bend	trans	-86.1	137.3	169.4	-65.4	-173.6	174.5	0	0	109.5	P149 I153	P149-E151 VanDerWaalsContact C-N 3.32Å; P149-E151 VanDerWaalsContact CB-O 3.23Å; P149-E151 WeakPolarHBondContact CB-O 3.42Å; E151-I153 PolarHBondContact O-N 3.4Å; E151-I153 VanDerWaalsContact O-N 3.13Å
152	L	94	Very high	95.9	Very high	111 Å²	111	74.7 Å²	74.7	58%	0.581	37%	0.365	S	S	*	.			trans	-66.3	116.1	178	178.1	62.7	0	0	0	110	N15 A48 K154	N15-L152 PolarHBondContact ND2-O 3.21Å; A48-L152 HydrophobicContact CB-CD1 3.98Å; L152-K154 HydrophobicContact CD2-CD 4.19Å
153	I	95.4	Very high	95.2	Very high	2 Å²	2	74.6 Å²	74.6	1%	0.01	37%	0.369	C	S	.	.			trans	-111.8	122.1	172.6	-56.4	171.7	0	0	0	108	N15 Q16 A48 F49 L138 V141 P149 E151	N15-I153 WeakPolarHBondContact OD1-CA 3.42Å; Q16-I153 HydrophobicContact CG-CG2 4.2Å; A48-I153 CarbonylContact C-O 3.52Å; A48-I153 VanDerWaalsContact CA-O 3.24Å; A48-I153 WeakPolarHBondContact CA-O 3.43Å; F49-I153 HydrophobicContact CB-CG2 4.49Å; F49-I153 HydrophobicContact CD2-CG2 3.74Å; F49-I153 PolarHBondContact N-O 3.03Å; L138-I153 HydrophobicContact CD1-CG2 4.28Å; L138-I153 HydrophobicContact CD2-CB 4.38Å; L138-I153 HydrophobicContact CD2-CD1 3.81Å; L138-I153 HydrophobicContact CD2-CG1 4.32Å; L138-I153 HydrophobicContact CD2-CG2 3.26Å; L138-I153 HydrophobicContact CG-CG2 4.38Å; V141-I153 HydrophobicContact CB-CD1 4.03Å; V141-I153 HydrophobicContact CG1-CD1 3.57Å; V141-I153 HydrophobicContact CG2-CD1 3.72Å; P149-I153 HydrophobicContact CB-CD1 3.86Å; P149-I153 HydrophobicContact CB-CG1 4.23Å; P149-I153 HydrophobicContact CG-CD1 4.05Å; E151-I153 PolarHBondContact O-N 3.4Å; E151-I153 VanDerWaalsContact O-N 3.13Å
154	K	97.2	Very high	94	Very high	58 Å²	58	79 Å²	79	25%	0.252	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	153.6	-175.2	63.6	175.5	-178.5	167.7	0	113.3	T14 N15 N46 V47 L152 I156	T14-K154 WeakPolarHBondContact CA-O 3.35Å; T14-K154 WeakPolarHBondContact CB-O 3.41Å; N15-K154 PolarHBondContact N-O 2.92Å; N15-K154 PolarHBondContact OD1-N 3.03Å; N15-K154 PolarHBondContact OD1-O 2.81Å; N46-K154 PolarHBondContact OD1-NZ 2.66Å; V47-K154 CarbonylContact O-C 3.57Å; V47-K154 VanDerWaalsContact O-CA 3.32Å; V47-K154 WeakPolarHBondContact O-CA 3.28Å; V47-K154 WeakPolarHBondContact O-CB 3.23Å; L152-K154 HydrophobicContact CD2-CD 4.19Å; K154-I156 PolarHBondContact O-N 3.5Å
155	I	98.5	Very high	93.9	Very high	0 Å²	0	80.1 Å²	80.1	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	109.9	163.8	-57.7	165.3	0	0	0	106	L12 D13 Y44 N46 V47 F49 F108 R157 A158	L12-I155 HydrophobicContact CB-CG2 4.47Å; L12-I155 HydrophobicContact CD1-CD1 4.29Å; L12-I155 HydrophobicContact CD2-CD1 4.35Å; L12-I155 HydrophobicContact CD2-CG2 4.32Å; D13-I155 CarbonylContact O-C 3.6Å; Y44-I155 WeakPolarHBondContact O-CB 3.38Å; Y44-I155 WeakPolarHBondContact O-CG2 3.35Å; N46-I155 WeakPolarHBondContact CA-O 3.46Å; N46-I155 PolarHBondContact N-O 2.93Å; V47-I155 PolarHBondContact N-O 3.14Å; V47-I155 PolarHBondContact O-N 2.86Å; F49-I155 HydrophobicContact CE2-CD1 4.49Å; F49-I155 HydrophobicContact CE2-CG1 3.85Å; F49-I155 HydrophobicContact CZ-CD1 4.23Å; F49-I155 HydrophobicContact CZ-CG1 4.01Å; F108-I155 HydrophobicContact CE1-CD1 4.46Å; F108-I155 HydrophobicContact CZ-CD1 4.08Å; I155-R157 WeakPolarHBondContact CG2-O 3.22Å; I155-A158 HydrophobicContact CG2-CB 4.21Å
156	I	98.3	Very high	93.8	Very high	83 Å²	83	73.3 Å²	73.3	43%	0.426	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	-46.6	173.3	-62.7	172.8	0	0	0	108.7	D13 N15 K154	D13-I156 WeakPolarHBondContact O-CA 3.31Å; D13-I156 WeakPolarHBondContact O-CB 3.29Å; D13-I156 PolarHBondContact O-N 3.02Å; N15-I156 HydrophobicContact CB-CD1 4.12Å; N15-I156 HydrophobicContact CB-CG1 4.47Å; K154-I156 PolarHBondContact O-N 3.5Å
157	R	98.3	Very high	93.7	Very high	138 Å²	138	74 Å²	74	52%	0.521	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	140.2	-179.6	-179.4	176.9	170	137	-0.6	110.7	D13 N45 I155 N159	D13-R157 HydrophobicContact CB-CB 4.42Å; D13-R157 PolarHBondContact N-O 2.98Å; D13-R157 PolarHBondContact O-N 2.91Å; N45-R157 WeakPolarHBondContact OD1-CA 3.26Å; I155-R157 WeakPolarHBondContact CG2-O 3.22Å; R157-N159 PolarHBondContact NE-ND2 3.24Å; R157-N159 PolarHBondContact NH2-ND2 3.1Å
158	A	98.1	Very high	93.6	Very high	1 Å²	1	74.5 Å²	74.5	1%	0.008	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	145	165.3	0	0	0	0	0	110.4	V11 L12 A39 Y44 N45 I155	V11-A158 WeakPolarHBondContact O-CA 3.38Å; L12-A158 HydrophobicContact CD2-CB 3.78Å; A39-A158 HydrophobicContact CB-CB 3.77Å; Y44-A158 HydrophobicContact CD2-CB 4.39Å; N45-A158 PolarHBondContact OD1-N 3.11Å; I155-A158 HydrophobicContact CG2-CB 4.21Å
159	N	95.8	Very high	93.4	Very high	53 Å²	53	72.8 Å²	72.8	28%	0.283	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	161.8	172.4	-129.2	-63.2	0	0	0	112.7	V10 V11 R157	V10-N159 CarbonylContact C-O 3.51Å; V10-N159 VanDerWaalsContact CA-O 3.3Å; V10-N159 WeakPolarHBondContact CA-O 3.36Å; V11-N159 PolarHBondContact N-O 3.49Å; V11-N159 PolarHBondContact O-N 2.72Å; R157-N159 PolarHBondContact NE-ND2 3.24Å; R157-N159 PolarHBondContact NH2-ND2 3.1Å
160	T	96.4	Very high	93.2	Very high	39 Å²	39	76.3 Å²	76.3	24%	0.239	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	142.6	177.7	53.6	0	0	0	0	110.6	P7 F9 V10 A36 R40	P7-T160 HydrophobicContact CB-CG2 4.21Å; P7-T160 HydrophobicContact CG-CG2 3.71Å; F9-T160 WeakPolarHBondContact O-CA 3.44Å; V10-T160 HydrophobicContact CG2-CG2 4.24Å; A36-T160 HydrophobicContact CB-CG2 3.93Å; A36-T160 WeakPolarHBondContact O-CG2 3.37Å; R40-T160 HydrophobicContact CB-CG2 4.48Å
161	T	93.8	Very high	93	Very high	35 Å²	35	69.8 Å²	69.8	22%	0.215	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	159.1	175.8	-176.2	0	0	0	0	111.2	F9 V11 T163	F9-T161 HydrophobicContact CB-CG2 3.75Å; F9-T161 PolarHBondContact N-O 2.93Å; F9-T161 PolarHBondContact O-N 3.15Å; V11-T161 HydrophobicContact CG2-CG2 3.57Å; T161-T163 WeakPolarHBondContact CG2-O 3.48Å; T161-T163 PolarHBondContact OG1-N 3.3Å; T161-T163 VanDerWaalsContact OG1-N 3.15Å; T161-T163 PolarHBondContact OG1-O 3.21Å; T161-T163 PolarHBondContact OG1-OG1 3.08Å
162	N	89	Confident	92.9	Very high	83 Å²	83	64.7 Å²	64.7	44%	0.444	34%	0.341	S	S	.	.	S	Bend	trans	-107.4	0.7	171.8	-76.2	-43.7	0	0	0	112.7	A3 P7 A8	A3-N162 PolarHBondContact O-ND2 3.26Å; P7-N162 WeakPolarHBondContact CA-OD1 3.21Å; A8-N162 PolarHBondContact N-OD1 2.78Å
163	T	80.8	Confident	92.8	Very high	104 Å²	104	60.8 Å²	60.8	64%	0.638	32%	0.321	S	S	*	.			trans	-128.1	143	178.6	57.3	0	0	0	0	109.9	T161	T161-T163 WeakPolarHBondContact CG2-O 3.48Å; T161-T163 PolarHBondContact OG1-N 3.3Å; T161-T163 VanDerWaalsContact OG1-N 3.15Å; T161-T163 PolarHBondContact OG1-O 3.21Å; T161-T163 PolarHBondContact OG1-OG1 3.08Å
164	V	72	Confident	92.6	Very high	134 Å²	134	66.2 Å²	66.2	81%	0.812	35%	0.349	S	S	*	.			trans	-85.5	0	170.3	-174	0	0	0	0	110	F9	F9-V164 HydrophobicContact CD1-CG2 4.17Å; F9-V164 HydrophobicContact CD2-CG2 4.18Å; F9-V164 HydrophobicContact CE1-CG2 3.72Å; F9-V164 HydrophobicContact CE2-CG2 3.73Å; F9-V164 HydrophobicContact CG-CG2 4.4Å; F9-V164 HydrophobicContact CZ-CG2 3.48Å; F9-V164 VanDerWaalsContact CZ-CG2 3.48Å

Retrieved 164 of 164 residues in 59.3 ms (Link to these results)

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