A0A087X5X8_POEFO Loading...

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 A0A087X5X8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 171 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	39.6	Very low	50	Low	233 Å²	233	121.5 Å²	121.5	100%	1.148	63%	0.626	S	S	*	*				0	131	0	-116.8	-174.9	-96.1	0	0	107.2
2	H	37.3	Very low	53.7	Low	167 Å²	167	111.8 Å²	111.8	77%	0.773	58%	0.578	S	S	*	*			trans	73.3	76.3	-179.9	-69.8	84.1	0	0	0	117.2
3	H	36.7	Very low	57.1	Low	174 Å²	174	103.2 Å²	103.2	81%	0.806	53%	0.533	S	S	*	.			trans	-85.7	98.8	146.3	-141.3	77.2	0	0	0	105.6	I5	H3-I5 PolarHBondContact O-N 2.66Å
4	S	38.8	Very low	60	Low	99 Å²	99	96.7 Å²	96.7	69%	0.692	50%	0.501	S	S	*	.			trans	-87.9	92.1	171.2	-47.3	0	0	0	0	106.6	D6	S4-D6 VanDerWaalsContact C-N 3.26Å; S4-D6 PolarHBondContact O-N 3.06Å; S4-D6 VanDerWaalsContact O-N 3.09Å
5	I	45.1	Very low	62.6	Low	127 Å²	127	90.3 Å²	90.3	65%	0.651	47%	0.467	S	S	*	.			trans	-74.2	93.6	163.5	-56.9	-175.6	0	0	0	104.9	H3 A7	H3-I5 PolarHBondContact O-N 2.66Å; I5-A7 HydrophobicContact CG2-CB 4.09Å; I5-A7 PolarHBondContact O-N 3.46Å
6	D	42.5	Very low	64.9	Low	148 Å²	148	87.4 Å²	87.4	79%	0.791	45%	0.451	S	S	*	.			trans	-74.9	85.2	160.9	-132.6	-10	0	0	0	105.2	S4 T8	S4-D6 VanDerWaalsContact C-N 3.26Å; S4-D6 PolarHBondContact O-N 3.06Å; S4-D6 VanDerWaalsContact O-N 3.09Å; D6-T8 PolarHBondContact O-N 2.77Å
7	A	43.1	Very low	66.9	Low	49 Å²	49	82.3 Å²	82.3	41%	0.405	43%	0.425	S	S	.	.			trans	-70.2	84.6	171.9	0	0	0	0	0	106.5	I5 F9	I5-A7 HydrophobicContact CG2-CB 4.09Å; I5-A7 PolarHBondContact O-N 3.46Å; A7-F9 PolarHBondContact O-N 3.42Å
8	T	50.4	Low	68.6	Low	53 Å²	53	82.2 Å²	82.2	33%	0.325	43%	0.425	S	S	.	.			trans	-59.8	112.7	166.8	50.7	0	0	0	0	106.2	D6 E10 E29	D6-T8 PolarHBondContact O-N 2.77Å; T8-E10 PolarHBondContact O-N 3.21Å; T8-E29 WeakPolarHBondContact CG2-OE1 3.02Å
9	F	55.3	Low	70.2	Confident	172 Å²	172	81.1 Å²	81.1	75%	0.754	42%	0.42	S	S	*	.			trans	-63.3	88.2	172.3	-73.5	-85.8	0	0	0	108	A7 M11	A7-F9 PolarHBondContact O-N 3.42Å; F9-M11 PolarHBondContact O-N 3.18Å
10	E	70.9	Confident	71.6	Confident	70 Å²	70	78.4 Å²	78.4	33%	0.327	41%	0.413	S	S	.	.			trans	-65.2	130.9	172.3	-72	177.7	179.6	0	0	107.4	T8 N167 A170	T8-E10 PolarHBondContact O-N 3.21Å; E10-N167 HydrophobicContact CB-CB 4.2Å; E10-N167 WeakPolarHBondContact O-CB 3.4Å; E10-N167 PolarHBondContact O-N 3.45Å; E10-N167 VanDerWaalsContact O-N 3.1Å; E10-A170 HydrophobicContact CB-CB 4.36Å; E10-A170 HydrophobicContact CG-CB 4.39Å
11	M	89.8	Confident	72.9	Confident	44 Å²	44	78.3 Å²	78.3	22%	0.217	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	133.7	175.6	-67.1	-63.2	-63.4	0	0	107.8	F9 L26 L39 I164 A166	F9-M11 PolarHBondContact O-N 3.18Å; M11-L26 HydrophobicContact CB-CB 4.32Å; M11-L26 HydrophobicContact CB-CD1 4.18Å; M11-L26 WeakPolarHBondContact O-CB 3.08Å; M11-L26 PolarHBondContact O-N 2.89Å; M11-L39 HydrophobicContact CB-CD1 4.3Å; M11-L39 HydrophobicContact CE-CD1 4.25Å; M11-L39 HydrophobicContact CE-CD2 4.28Å; M11-L39 HydrophobicContact CG-CD1 4.3Å; M11-I164 HydrophobicContact CE-CG2 4.03Å; M11-A166 HydrophobicContact CE-CB 4.49Å; M11-A166 HydrophobicContact SD-CB 4.29Å
12	A	95.3	Very high	75.7	Confident	5 Å²	5	67.2 Å²	67.2	4%	0.041	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	151.8	175.4	0	0	0	0	0	111	I24 H165	A12-I24 CarbonylContact C-O 3.58Å; A12-I24 WeakPolarHBondContact CA-O 3.16Å; A12-I24 WeakPolarHBondContact CB-O 3.31Å; A12-H165 HydrophobicContact CB-CB 4.29Å; A12-H165 PolarHBondContact N-O 2.97Å; A12-H165 CarbonylContact O-C 3.54Å; A12-H165 WeakPolarHBondContact O-CA 3.34Å; A12-H165 WeakPolarHBondContact O-CB 3.37Å; A12-H165 PolarHBondContact O-N 3.45Å
13	V	97.2	Very high	78.6	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.9	178.8	176.2	0	0	0	0	108.8	L15 K23 I24 L26 F38 L39 V162 T163 I164	V13-L15 HydrophobicContact CG1-CD2 4Å; V13-K23 CarbonylContact O-C 3.57Å; V13-K23 WeakPolarHBondContact O-CA 3.2Å; V13-I24 PolarHBondContact N-O 3.31Å; V13-I24 PolarHBondContact O-N 2.97Å; V13-L26 HydrophobicContact CG2-CD1 3.97Å; V13-F38 HydrophobicContact CB-CE1 4.04Å; V13-F38 HydrophobicContact CG1-CE1 4.09Å; V13-F38 HydrophobicContact CG1-CZ 4.47Å; V13-F38 HydrophobicContact CG2-CD1 4.49Å; V13-F38 HydrophobicContact CG2-CE1 3.96Å; V13-L39 HydrophobicContact CG2-CD2 3.65Å; V13-V162 HydrophobicContact CG1-CG1 3.19Å; V13-T163 CarbonylContact C-O 3.42Å; V13-T163 WeakPolarHBondContact CA-O 3.32Å; V13-I164 HydrophobicContact CG2-CG1 4.35Å
14	T	98.5	Very high	81.6	Confident	13 Å²	13	53.8 Å²	53.8	8%	0.08	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.7	168.2	-59.2	0	0	0	0	109.2	D21 I22 V162 T163 H165	T14-D21 HydrophobicContact CG2-CB 3.93Å; T14-I22 CarbonylContact C-O 3.6Å; T14-I22 WeakPolarHBondContact CA-O 3.33Å; T14-V162 WeakPolarHBondContact O-CA 3.49Å; T14-T163 PolarHBondContact N-O 3.16Å; T14-T163 PolarHBondContact O-N 3.34Å; T14-H165 PolarHBondContact OG1-NE2 3.3Å
15	L	98.8	Very high	84.3	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.1	167.4	-53.1	-176.5	0	0	0	108.3	V13 T17 D21 I22 I24 F38 F111 F113 I159 V162	V13-L15 HydrophobicContact CG1-CD2 4Å; L15-T17 HydrophobicContact CB-CG2 4.31Å; L15-D21 WeakPolarHBondContact O-CA 3.46Å; L15-I22 PolarHBondContact N-O 2.86Å; L15-I22 PolarHBondContact O-N 3.43Å; L15-I24 HydrophobicContact CD1-CD1 3.84Å; L15-I24 HydrophobicContact CG-CD1 4.08Å; L15-F38 HydrophobicContact CD2-CZ 4.34Å; L15-F111 HydrophobicContact CD1-CE2 4.21Å; L15-F111 HydrophobicContact CD1-CZ 4.02Å; L15-F113 HydrophobicContact CD1-CE2 4.42Å; L15-F113 HydrophobicContact CD1-CZ 3.75Å; L15-I159 HydrophobicContact CB-CG2 4.44Å; L15-I159 HydrophobicContact CD1-CD1 4.1Å; L15-V162 HydrophobicContact CD2-CB 4.42Å; L15-V162 HydrophobicContact CD2-CG1 3.94Å; L15-V162 HydrophobicContact CD2-CG2 3.69Å
16	H	98.8	Very high	86.8	Confident	45 Å²	45	45.5 Å²	45.5	21%	0.208	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	109.8	173	-61.3	-66	0	0	0	108.5	D21 K160 D161 T163	H16-D21 WeakPolarHBondContact CA-OD1 3.1Å; H16-D21 IonicContact CE1-OD1 3.25Å; H16-D21 IonicContact CE1-OD2 3.15Å; H16-D21 PolarHBondContact CE1-OD2 3.03Å; H16-D21 IonicContact CG-OD1 3.32Å; H16-D21 IonicContact ND1-OD1 3.65Å; H16-D21 PolarHBondContact ND1-OD1 2.66Å; H16-D21 IonicContact ND1-OD2 2.84Å; H16-D21 PolarHBondContact ND1-OD2 3.49Å; H16-D21 VanDerWaalsContact ND1-OD2 3.15Å; H16-K160 WeakPolarHBondContact O-CA 3.38Å; H16-K160 WeakPolarHBondContact O-CB 2.94Å; H16-K160 PolarHBondContact O-N 3.13Å; H16-D161 PolarHBondContact N-O 2.88Å; H16-D161 PolarHBondContact O-N 3.45Å; H16-T163 PolarHBondContact NE2-OG1 2.99Å
17	T	98.8	Very high	89.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	172.5	-175.6	83.8	0	0	0	0	112.2	L15 L19 G20 I22 F52 R158 K160	L15-T17 HydrophobicContact CB-CG2 4.31Å; T17-L19 PolarHBondContact O-N 3.42Å; T17-L19 PolarHBondContact OG1-N 2.72Å; T17-L19 VanDerWaalsContact OG1-N 3.14Å; T17-G20 WeakPolarHBondContact CA-O 3.37Å; T17-G20 VanDerWaalsContact CB-O 3.3Å; T17-G20 WeakPolarHBondContact CB-O 3.36Å; T17-G20 PolarHBondContact N-O 2.71Å; T17-G20 PolarHBondContact OG1-N 2.82Å; T17-G20 PolarHBondContact OG1-O 3.22Å; T17-I22 HydrophobicContact CG2-CD1 4.48Å; T17-F52 HydrophobicContact CG2-CE2 4.12Å; T17-F52 HydrophobicContact CG2-CZ 3.97Å; T17-R158 CarbonylContact C-O 3.57Å; T17-R158 WeakPolarHBondContact CA-O 3.47Å; T17-R158 WeakPolarHBondContact CB-O 3.26Å; T17-K160 WeakPolarHBondContact O-CE 3.28Å; T17-K160 PolarHBondContact O-NZ 3.01Å
18	D	98.6	Very high	91.7	Very high	80 Å²	80	40 Å²	40	43%	0.428	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.4	172.4	-67.1	-37.3	0	0	0	113.4	R158 K160	D18-R158 PolarHBondContact N-O 3.46Å; D18-R158 WeakPolarHBondContact OD2-CB 3.31Å; D18-R158 PolarHBondContact OD2-N 3.11Å; D18-K160 WeakPolarHBondContact OD1-CD 3.35Å; D18-K160 WeakPolarHBondContact OD1-CG 3.45Å
19	L	98.3	Very high	93.7	Very high	62 Å²	62	44.7 Å²	44.7	33%	0.325	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-0.6	-176.1	-62.8	178.2	0	0	0	113.8	T17 T137 E140 L141 L144	T17-L19 PolarHBondContact O-N 3.42Å; T17-L19 PolarHBondContact OG1-N 2.72Å; T17-L19 VanDerWaalsContact OG1-N 3.14Å; L19-T137 HydrophobicContact CB-CG2 4.12Å; L19-E140 HydrophobicContact CB-CB 4.34Å; L19-E140 HydrophobicContact CD1-CB 4.2Å; L19-L141 HydrophobicContact CD1-CB 4.49Å; L19-L141 HydrophobicContact CD1-CD2 3.68Å; L19-L141 HydrophobicContact CD1-CG 3.86Å; L19-L144 HydrophobicContact CD1-CD1 4.04Å; L19-L144 HydrophobicContact CD1-CD2 4.24Å; L19-L144 HydrophobicContact CD1-CG 4.24Å
20	G	98.6	Very high	95.6	Very high	27 Å²	27	41.8 Å²	41.8	28%	0.278	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	133.5	-175.7	-174.9	0	0	0	0	0	112.2	T17 T137	T17-G20 WeakPolarHBondContact CA-O 3.37Å; T17-G20 VanDerWaalsContact CB-O 3.3Å; T17-G20 WeakPolarHBondContact CB-O 3.36Å; T17-G20 PolarHBondContact N-O 2.71Å; T17-G20 PolarHBondContact OG1-N 2.82Å; T17-G20 PolarHBondContact OG1-O 3.22Å; G20-T137 WeakPolarHBondContact CA-OG1 3.1Å
21	D	98.8	Very high	96.8	Very high	76 Å²	76	38.5 Å²	38.5	41%	0.406	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	149.5	179.9	-71.1	-8	0	0	0	110.8	T14 L15 H16 G134 T137	T14-D21 HydrophobicContact CG2-CB 3.93Å; L15-D21 WeakPolarHBondContact O-CA 3.46Å; H16-D21 WeakPolarHBondContact CA-OD1 3.1Å; H16-D21 IonicContact CE1-OD1 3.25Å; H16-D21 IonicContact CE1-OD2 3.15Å; H16-D21 PolarHBondContact CE1-OD2 3.03Å; H16-D21 IonicContact CG-OD1 3.32Å; H16-D21 IonicContact ND1-OD1 3.65Å; H16-D21 PolarHBondContact ND1-OD1 2.66Å; H16-D21 IonicContact ND1-OD2 2.84Å; H16-D21 PolarHBondContact ND1-OD2 3.49Å; H16-D21 VanDerWaalsContact ND1-OD2 3.15Å; D21-G134 WeakPolarHBondContact O-CA 3.39Å; D21-T137 PolarHBondContact N-OG1 3.17Å; D21-T137 WeakPolarHBondContact O-CB 3.31Å; D21-T137 PolarHBondContact O-OG1 3.05Å
22	I	98.8	Very high	97.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	116	169.9	-63.2	176.8	0	0	0	107.7	T14 L15 T17 I24 F113 I131 T137 L141	T14-I22 CarbonylContact C-O 3.6Å; T14-I22 WeakPolarHBondContact CA-O 3.33Å; L15-I22 PolarHBondContact N-O 2.86Å; L15-I22 PolarHBondContact O-N 3.43Å; T17-I22 HydrophobicContact CG2-CD1 4.48Å; I22-I24 HydrophobicContact CG2-CG1 4.06Å; I22-F113 HydrophobicContact CG2-CE1 4.04Å; I22-F113 HydrophobicContact CG2-CZ 4.32Å; I22-I131 HydrophobicContact CG2-CD1 3.62Å; I22-I131 HydrophobicContact CG2-CG1 3.6Å; I22-I131 HydrophobicContact CG2-CG2 4.2Å; I22-T137 HydrophobicContact CD1-CG2 3.94Å; I22-T137 HydrophobicContact CG1-CG2 3.69Å; I22-L141 HydrophobicContact CD1-CD1 3.91Å
23	K	98.4	Very high	97.3	Very high	59 Å²	59	41.8 Å²	41.8	26%	0.257	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.4	175.2	-165.7	176.9	-178.9	179.1	0	110.5	V13 I131 I132 D133	V13-K23 CarbonylContact O-C 3.57Å; V13-K23 WeakPolarHBondContact O-CA 3.2Å; K23-I131 CarbonylContact O-C 3.59Å; K23-I131 VanDerWaalsContact O-CA 3.32Å; K23-I131 WeakPolarHBondContact O-CA 3.49Å; K23-I132 HydrophobicContact CB-CG1 4.13Å; K23-I132 HydrophobicContact CD-CD1 3.9Å; K23-I132 HydrophobicContact CD-CG1 4.16Å; K23-I132 HydrophobicContact CG-CD1 3.96Å; K23-I132 HydrophobicContact CG-CG1 3.89Å; K23-I132 PolarHBondContact O-N 3.08Å; K23-D133 HydrophobicContact CB-CB 3.76Å; K23-D133 HydrophobicContact CD-CB 4.42Å; K23-D133 PolarHBondContact N-O 3.18Å; K23-D133 PolarHBondContact O-N 3.12Å
24	I	98.1	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.8	-174.9	-53.1	170	0	0	0	108.4	A12 V13 L15 I22 L26 F38 V97 F113 K130 I131	A12-I24 CarbonylContact C-O 3.58Å; A12-I24 WeakPolarHBondContact CA-O 3.16Å; A12-I24 WeakPolarHBondContact CB-O 3.31Å; V13-I24 PolarHBondContact N-O 3.31Å; V13-I24 PolarHBondContact O-N 2.97Å; L15-I24 HydrophobicContact CD1-CD1 3.84Å; L15-I24 HydrophobicContact CG-CD1 4.08Å; I22-I24 HydrophobicContact CG2-CG1 4.06Å; I24-L26 HydrophobicContact CG2-CD2 3.88Å; I24-F38 HydrophobicContact CD1-CZ 4.33Å; I24-V97 HydrophobicContact CD1-CG2 4.31Å; I24-V97 HydrophobicContact CG1-CG2 4.33Å; I24-V97 HydrophobicContact CG2-CB 4.42Å; I24-V97 HydrophobicContact CG2-CG2 3.74Å; I24-F113 HydrophobicContact CD1-CE1 3.64Å; I24-F113 HydrophobicContact CD1-CZ 3.84Å; I24-F113 HydrophobicContact CG1-CE1 4.14Å; I24-K130 CarbonylContact C-O 3.52Å; I24-K130 WeakPolarHBondContact CA-O 3.39Å; I24-I131 HydrophobicContact CG1-CG1 4.49Å
25	E	96.4	Very high	97.3	Very high	47 Å²	47	41.2 Å²	41.2	22%	0.22	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.3	162.4	-174.4	-163.5	156.4	0	0	109.1	F27 G129 K130 I132	E25-F27 HydrophobicContact CG-CE1 4.44Å; E25-G129 CarbonylContact O-C 3.51Å; E25-G129 WeakPolarHBondContact O-CA 3.18Å; E25-K130 PolarHBondContact N-O 3.38Å; E25-K130 PolarHBondContact O-N 2.83Å; E25-I132 HydrophobicContact CB-CD1 4.19Å; E25-I132 HydrophobicContact CB-CG1 4.4Å; E25-I132 HydrophobicContact CB-CG2 3.61Å
26	L	96.8	Very high	97.3	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.1	-178.3	-57.1	-179.6	0	0	0	111.5	M11 V13 I24 C28 F38 L39 F128	M11-L26 HydrophobicContact CB-CB 4.32Å; M11-L26 HydrophobicContact CB-CD1 4.18Å; M11-L26 WeakPolarHBondContact O-CB 3.08Å; M11-L26 PolarHBondContact O-N 2.89Å; V13-L26 HydrophobicContact CG2-CD1 3.97Å; I24-L26 HydrophobicContact CG2-CD2 3.88Å; L26-C28 VanDerWaalsContact C-N 3.29Å; L26-C28 PolarHBondContact O-N 2.94Å; L26-C28 VanDerWaalsContact O-N 3.13Å; L26-F38 HydrophobicContact CD1-CD1 4Å; L26-F38 HydrophobicContact CD1-CE1 4.45Å; L26-F38 HydrophobicContact CD2-CD1 3.88Å; L26-F38 HydrophobicContact CD2-CE1 3.98Å; L26-L39 HydrophobicContact CD1-CD1 3.97Å; L26-L39 HydrophobicContact CD1-CD2 3.6Å; L26-L39 HydrophobicContact CD1-CG 3.64Å; L26-F128 WeakPolarHBondContact CA-O 3.42Å; L26-F128 HydrophobicContact CD2-CD2 3.96Å; L26-F128 HydrophobicContact CD2-CE2 3.95Å
27	F	96.1	Very high	97.3	Very high	43 Å²	43	44.1 Å²	44.1	19%	0.189	22%	0.223	C	C	.	.			trans	-90.9	57.9	-179.1	-54.6	-37.5	0	0	0	111.5	E25 E29 R30 A31 L89 V127 F128 K130	E25-F27 HydrophobicContact CG-CE1 4.44Å; F27-E29 PolarHBondContact O-N 2.97Å; F27-E29 VanDerWaalsContact O-N 3.11Å; F27-R30 HydrophobicContact CB-CB 4.49Å; F27-R30 PolarHBondContact O-N 2.75Å; F27-A31 PolarHBondContact O-N 3.3Å; F27-L89 HydrophobicContact CB-CD1 4.04Å; F27-L89 HydrophobicContact CD2-CD1 3.74Å; F27-L89 HydrophobicContact CD2-CD2 3.53Å; F27-L89 HydrophobicContact CD2-CG 4.26Å; F27-L89 HydrophobicContact CE2-CD2 3.76Å; F27-L89 HydrophobicContact CG-CD1 4.25Å; F27-L89 HydrophobicContact CG-CD2 4.1Å; F27-V127 HydrophobicContact CD2-CG1 4.24Å; F27-V127 HydrophobicContact CE2-CG1 4.16Å; F27-F128 PolarHBondContact N-O 3.25Å; F27-K130 HydrophobicContact CE2-CB 4.16Å; F27-K130 HydrophobicContact CZ-CB 3.65Å
28	C	94.1	Very high	97.3	Very high	38 Å²	38	44.1 Å²	44.1	26%	0.257	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.4	-172.6	-63.1	0	0	0	0	114.2	L26 P32 C35	L26-C28 VanDerWaalsContact C-N 3.29Å; L26-C28 PolarHBondContact O-N 2.94Å; L26-C28 VanDerWaalsContact O-N 3.13Å; C28-P32 WeakPolarHBondContact O-CA 3.28Å; C28-P32 VanDerWaalsContact O-CB 3.28Å; C28-P32 WeakPolarHBondContact O-CB 3.49Å; C28-P32 WeakPolarHBondContact O-CD 3.44Å; C28-C35 HydrophobicContact CB-CB 4.21Å; C28-C35 VanDerWaalsContact SG-CB 3.52Å
29	E	92.5	Very high	97.2	Very high	152 Å²	152	41.7 Å²	41.7	71%	0.71	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-30.7	176.8	-62.6	-171.5	161.1	0	0	113.3	T8 F27	T8-E29 WeakPolarHBondContact CG2-OE1 3.02Å; F27-E29 PolarHBondContact O-N 2.97Å; F27-E29 VanDerWaalsContact O-N 3.11Å
30	R	94.4	Very high	97.2	Very high	112 Å²	112	40.7 Å²	40.7	42%	0.423	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-27.7	-173.1	-65.7	-174.2	-178.2	-81.4	-1.5	113.1	F27 P32 S86 H88 L89	F27-R30 HydrophobicContact CB-CB 4.49Å; F27-R30 PolarHBondContact O-N 2.75Å; R30-P32 VanDerWaalsContact C-CD 3.43Å; R30-S86 PolarHBondContact NH1-OG 3.37Å; R30-H88 PolarHBondContact NH1-CD2 3.1Å; R30-L89 HydrophobicContact CB-CD1 3.62Å; R30-L89 HydrophobicContact CB-CG 4.41Å; R30-L89 HydrophobicContact CG-CD1 4.34Å
31	A	96.7	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-132.2	58.1	175.6	0	0	0	0	0	110.6	F27 K33 S34 C35 E84 T126 F128	F27-A31 PolarHBondContact O-N 3.3Å; A31-K33 VanDerWaalsContact C-N 3.31Å; A31-K33 PolarHBondContact O-N 2.98Å; A31-S34 PolarHBondContact O-N 3.17Å; A31-C35 WeakPolarHBondContact O-CB 3.41Å; A31-C35 PolarHBondContact O-N 3.13Å; A31-C35 PolarHBondContact O-SG 2.72Å; A31-E84 VanDerWaalsContact C-OE2 3.27Å; A31-E84 WeakPolarHBondContact CA-OE2 3.41Å; A31-E84 HydrophobicContact CB-CB 4.21Å; A31-T126 HydrophobicContact CB-CG2 3.9Å; A31-F128 HydrophobicContact CB-CB 3.8Å
32	P	96.4	Very high	97.2	Very high	71 Å²	71	36.3 Å²	36.3	46%	0.461	18%	0.181	S	C	.	.	H	α-helix	trans	-56.2	-42.7	-172.6	21	-33.3	0	0	0	112.9	C28 R30 C35 E36 E84	C28-P32 WeakPolarHBondContact O-CA 3.28Å; C28-P32 VanDerWaalsContact O-CB 3.28Å; C28-P32 WeakPolarHBondContact O-CB 3.49Å; C28-P32 WeakPolarHBondContact O-CD 3.44Å; R30-P32 VanDerWaalsContact C-CD 3.43Å; P32-C35 PolarHBondContact O-N 3.2Å; P32-E36 VanDerWaalsContact O-CB 3.3Å; P32-E36 WeakPolarHBondContact O-CB 3.43Å; P32-E36 PolarHBondContact O-N 3.49Å; P32-E84 WeakPolarHBondContact CD-OE1 3.45Å; P32-E84 WeakPolarHBondContact CG-OE1 3.46Å
33	K	97.9	Very high	97.1	Very high	47 Å²	47	39.9 Å²	39.9	20%	0.204	21%	0.211	C	C	.	.	H	α-helix	trans	-71.6	-40.6	-177.2	-163.8	170.9	-164.4	171	0	111.9	A31 C35 E36 N37 W77 F81 E82 E84	A31-K33 VanDerWaalsContact C-N 3.31Å; A31-K33 PolarHBondContact O-N 2.98Å; K33-C35 VanDerWaalsContact C-N 3.33Å; K33-E36 PolarHBondContact O-N 3.28Å; K33-N37 VanDerWaalsContact O-CB 3.27Å; K33-N37 WeakPolarHBondContact O-CB 3.44Å; K33-N37 PolarHBondContact O-N 3.09Å; K33-W77 HydrophobicContact CB-CH2 4.45Å; K33-W77 HydrophobicContact CD-CH2 4.14Å; K33-W77 HydrophobicContact CD-CZ3 4.41Å; K33-W77 HydrophobicContact CG-CH2 3.24Å; K33-W77 HydrophobicContact CG-CZ2 3.87Å; K33-W77 HydrophobicContact CG-CZ3 3.83Å; K33-W77 WeakPolarHBondContact O-CH2 3.43Å; K33-F81 HydrophobicContact CD-CB 4.26Å; K33-F81 HydrophobicContact CD-CD2 4Å; K33-F81 HydrophobicContact CD-CG 4.47Å; K33-F81 HydrophobicContact CG-CD2 4.01Å; K33-F81 HydrophobicContact CG-CE2 4.44Å; K33-E82 VanDerWaalsContact CD-CD 3.41Å; K33-E82 HydrophobicContact CD-CG 4.36Å; K33-E82 WeakPolarHBondContact CD-OE1 3.3Å; K33-E82 WeakPolarHBondContact CE-OE1 3.39Å; K33-E82 WeakPolarHBondContact CE-OE2 3.22Å; K33-E82 IonicContact NZ-OE1 2.68Å; K33-E82 PolarHBondContact NZ-OE1 2.96Å; K33-E82 IonicContact NZ-OE2 2.65Å; K33-E82 PolarHBondContact NZ-OE2 2.76Å; K33-E84 VanDerWaalsContact CB-OE1 3.25Å; K33-E84 WeakPolarHBondContact CB-OE1 3.35Å; K33-E84 PolarHBondContact N-OE1 3.26Å; K33-E84 PolarHBondContact N-OE2 3.23Å
34	S	98.5	Very high	97.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.2	-41.6	175.8	-56.3	0	0	0	0	111	A31 F38 E84 T126	A31-S34 PolarHBondContact O-N 3.17Å; S34-F38 VanDerWaalsContact O-CB 3.29Å; S34-F38 WeakPolarHBondContact O-CB 3.32Å; S34-F38 PolarHBondContact O-N 3.48Å; S34-E84 VanDerWaalsContact CB-OE2 3.31Å; S34-E84 WeakPolarHBondContact CB-OE2 3.2Å; S34-E84 PolarHBondContact N-OE2 2.9Å; S34-E84 PolarHBondContact OG-OE2 3.11Å; S34-T126 VanDerWaalsContact OG-CG2 3.24Å; S34-T126 WeakPolarHBondContact OG-CG2 3.42Å
35	C	98	Very high	97.1	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.007	24%	0.24	C	C	.	.	H	α-helix	trans	-68.7	-43.3	177.5	-64.6	0	0	0	0	112	C28 A31 P32 K33 N37 F38 L39 F128	C28-C35 HydrophobicContact CB-CB 4.21Å; C28-C35 VanDerWaalsContact SG-CB 3.52Å; A31-C35 WeakPolarHBondContact O-CB 3.41Å; A31-C35 PolarHBondContact O-N 3.13Å; A31-C35 PolarHBondContact O-SG 2.72Å; P32-C35 PolarHBondContact O-N 3.2Å; K33-C35 VanDerWaalsContact C-N 3.33Å; C35-N37 PolarHBondContact O-N 3.08Å; C35-F38 PolarHBondContact O-N 2.85Å; C35-L39 WeakPolarHBondContact O-CB 3.33Å; C35-L39 VanDerWaalsContact O-CG 3.31Å; C35-L39 WeakPolarHBondContact O-CG 3.38Å; C35-L39 PolarHBondContact O-N 3.39Å; C35-F128 PolarHBondContact SG-O 3.23Å
36	E	97.8	Very high	97.2	Very high	106 Å²	106	42.3 Å²	42.3	50%	0.495	24%	0.24	S	C	.	.	H	α-helix	trans	-56.9	-50.1	174.2	-178.1	-173	176.8	0	0	110.7	P32 K33 F38 L39 A40 I76 W77	P32-E36 VanDerWaalsContact O-CB 3.3Å; P32-E36 WeakPolarHBondContact O-CB 3.43Å; P32-E36 PolarHBondContact O-N 3.49Å; K33-E36 PolarHBondContact O-N 3.28Å; E36-F38 PolarHBondContact O-N 2.8Å; E36-L39 PolarHBondContact O-N 2.84Å; E36-A40 VanDerWaalsContact O-CB 3.32Å; E36-A40 WeakPolarHBondContact O-CB 3.5Å; E36-A40 PolarHBondContact O-N 2.89Å; E36-I76 HydrophobicContact CG-CD1 4.21Å; E36-W77 HydrophobicContact CG-CZ2 4.49Å
37	N	98.7	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-50	176.6	176.2	72	0	0	0	111.6	K33 C35 A40 L41 S75 I76 W77 F81 G108	K33-N37 VanDerWaalsContact O-CB 3.27Å; K33-N37 WeakPolarHBondContact O-CB 3.44Å; K33-N37 PolarHBondContact O-N 3.09Å; C35-N37 PolarHBondContact O-N 3.08Å; N37-A40 PolarHBondContact O-N 3.1Å; N37-L41 WeakPolarHBondContact O-CB 3.48Å; N37-L41 WeakPolarHBondContact O-CG 3.4Å; N37-L41 PolarHBondContact O-N 2.86Å; N37-S75 WeakPolarHBondContact OD1-CA 3.39Å; N37-S75 WeakPolarHBondContact OD1-CB 3.27Å; N37-I76 PolarHBondContact OD1-N 2.86Å; N37-W77 HydrophobicContact CB-CH2 3.74Å; N37-W77 HydrophobicContact CB-CZ3 3.74Å; N37-F81 HydrophobicContact CB-CE1 4.21Å; N37-F81 HydrophobicContact CB-CZ 4.17Å; N37-G108 PolarHBondContact ND2-O 2.94Å
38	F	98.7	Very high	97.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-50.2	-179.4	-178.3	-104.8	0	0	0	111.6	V13 L15 I24 L26 S34 C35 E36 A40 L41 C42 Y47 F111 F128	V13-F38 HydrophobicContact CB-CE1 4.04Å; V13-F38 HydrophobicContact CG1-CE1 4.09Å; V13-F38 HydrophobicContact CG1-CZ 4.47Å; V13-F38 HydrophobicContact CG2-CD1 4.49Å; V13-F38 HydrophobicContact CG2-CE1 3.96Å; L15-F38 HydrophobicContact CD2-CZ 4.34Å; I24-F38 HydrophobicContact CD1-CZ 4.33Å; L26-F38 HydrophobicContact CD1-CD1 4Å; L26-F38 HydrophobicContact CD1-CE1 4.45Å; L26-F38 HydrophobicContact CD2-CD1 3.88Å; L26-F38 HydrophobicContact CD2-CE1 3.98Å; S34-F38 VanDerWaalsContact O-CB 3.29Å; S34-F38 WeakPolarHBondContact O-CB 3.32Å; S34-F38 PolarHBondContact O-N 3.48Å; C35-F38 PolarHBondContact O-N 2.85Å; E36-F38 PolarHBondContact O-N 2.8Å; F38-A40 PolarHBondContact O-N 3.47Å; F38-L41 PolarHBondContact O-N 3.17Å; F38-C42 PolarHBondContact O-N 3.22Å; F38-C42 PolarHBondContact O-SG 2.79Å; F38-Y47 AromaticContact CD2-CE2 3.62Å; F38-Y47 HydrophobicContact CD2-CE2 3.62Å; F38-Y47 AromaticContact CD2-CZ 3.93Å; F38-Y47 HydrophobicContact CE2-CD2 4.33Å; F38-Y47 AromaticContact CE2-CE2 3.69Å; F38-Y47 HydrophobicContact CE2-CE2 3.69Å; F38-Y47 HydrophobicContact CG-CE2 4.47Å; F38-F111 HydrophobicContact CD2-CD1 4.39Å; F38-F111 HydrophobicContact CD2-CE1 4.41Å; F38-F111 HydrophobicContact CE2-CD1 4.06Å; F38-F111 AromaticContact CE2-CE1 3.72Å; F38-F111 HydrophobicContact CE2-CE1 3.72Å; F38-F111 HydrophobicContact CE2-CE2 4.26Å; F38-F111 HydrophobicContact CE2-CG 4.49Å; F38-F111 AromaticContact CE2-CZ 3.82Å; F38-F111 HydrophobicContact CE2-CZ 3.82Å; F38-F111 HydrophobicContact CZ-CZ 4.47Å; F38-F128 HydrophobicContact CB-CD2 4.43Å; F38-F128 HydrophobicContact CB-CE2 3.87Å; F38-F128 AromaticContact CD1-CE2 3.89Å; F38-F128 HydrophobicContact CD1-CE2 3.89Å; F38-F128 AromaticContact CD2-CE2 3.8Å; F38-F128 HydrophobicContact CD2-CE2 3.8Å; F38-F128 AromaticContact CD2-CZ 3.86Å; F38-F128 HydrophobicContact CD2-CZ 3.86Å; F38-F128 HydrophobicContact CE1-CE2 4.36Å; F38-F128 HydrophobicContact CE2-CE2 4.29Å; F38-F128 HydrophobicContact CE2-CZ 4.23Å; F38-F128 AromaticContact CG-CE2 3.57Å; F38-F128 HydrophobicContact CG-CE2 3.57Å; F38-F128 HydrophobicContact CG-CZ 4.12Å
39	L	98.1	Very high	97.5	Very high	30 Å²	30	42.9 Å²	42.9	16%	0.157	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-43.1	-179.2	-74.9	167.7	0	0	0	112.6	M11 V13 L26 C35 E36 L41 C42 A43 I164	M11-L39 HydrophobicContact CB-CD1 4.3Å; M11-L39 HydrophobicContact CE-CD1 4.25Å; M11-L39 HydrophobicContact CE-CD2 4.28Å; M11-L39 HydrophobicContact CG-CD1 4.3Å; V13-L39 HydrophobicContact CG2-CD2 3.65Å; L26-L39 HydrophobicContact CD1-CD1 3.97Å; L26-L39 HydrophobicContact CD1-CD2 3.6Å; L26-L39 HydrophobicContact CD1-CG 3.64Å; C35-L39 WeakPolarHBondContact O-CB 3.33Å; C35-L39 VanDerWaalsContact O-CG 3.31Å; C35-L39 WeakPolarHBondContact O-CG 3.38Å; C35-L39 PolarHBondContact O-N 3.39Å; E36-L39 PolarHBondContact O-N 2.84Å; L39-L41 VanDerWaalsContact C-N 3.34Å; L39-C42 WeakPolarHBondContact O-CB 3.34Å; L39-C42 PolarHBondContact O-N 2.85Å; L39-A43 WeakPolarHBondContact O-CB 3.45Å; L39-A43 PolarHBondContact O-N 3.42Å; L39-I164 HydrophobicContact CD2-CG1 4.44Å; L39-I164 HydrophobicContact CD2-CG2 3.84Å
40	A	97.9	Very high	97.8	Very high	40 Å²	40	35.8 Å²	35.8	33%	0.331	22%	0.218	S	C	.	.	H	α-helix	trans	-69.8	-32.1	177.9	0	0	0	0	0	112.3	E36 N37 F38 A43 S44 I76	E36-A40 VanDerWaalsContact O-CB 3.32Å; E36-A40 WeakPolarHBondContact O-CB 3.5Å; E36-A40 PolarHBondContact O-N 2.89Å; N37-A40 PolarHBondContact O-N 3.1Å; F38-A40 PolarHBondContact O-N 3.47Å; A40-A43 PolarHBondContact O-N 2.94Å; A40-S44 WeakPolarHBondContact O-CB 3.37Å; A40-S44 PolarHBondContact O-N 3.4Å; A40-S44 PolarHBondContact O-OG 3.41Å; A40-S44 VanDerWaalsContact O-OG 3.13Å; A40-I76 HydrophobicContact CB-CD1 3.99Å; A40-I76 HydrophobicContact CB-CG2 3.7Å
41	L	98.5	Very high	98	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-69.6	-38.1	171.1	-71.4	-179.7	0	0	0	112.5	N37 F38 L39 S44 G45 L46 Y47 I76 S109	N37-L41 WeakPolarHBondContact O-CB 3.48Å; N37-L41 WeakPolarHBondContact O-CG 3.4Å; N37-L41 PolarHBondContact O-N 2.86Å; F38-L41 PolarHBondContact O-N 3.17Å; L39-L41 VanDerWaalsContact C-N 3.34Å; L41-S44 PolarHBondContact O-OG 3.38Å; L41-S44 VanDerWaalsContact O-OG 3.04Å; L41-G45 PolarHBondContact O-N 2.84Å; L41-L46 HydrophobicContact CB-CB 4.33Å; L41-L46 HydrophobicContact CD1-CD2 4.4Å; L41-L46 HydrophobicContact CD2-CB 4.02Å; L41-L46 HydrophobicContact CD2-CD1 3.55Å; L41-L46 HydrophobicContact CD2-CD2 4.26Å; L41-L46 HydrophobicContact CD2-CG 4.12Å; L41-L46 PolarHBondContact O-N 3.31Å; L41-L46 VanDerWaalsContact O-N 3.08Å; L41-Y47 HydrophobicContact CB-CD2 4.2Å; L41-Y47 HydrophobicContact CB-CE2 3.53Å; L41-Y47 WeakPolarHBondContact CD1-OH 3.36Å; L41-I76 HydrophobicContact CD2-CG2 3.73Å; L41-I76 HydrophobicContact CG-CG2 3.72Å; L41-S109 VanDerWaalsContact CD1-CB 3.48Å
42	C	98.2	Very high	98.1	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-59.2	-50.6	169.2	-65	0	0	0	0	110.8	F38 L39 S44 G45 V162 I164	F38-C42 PolarHBondContact O-N 3.22Å; F38-C42 PolarHBondContact O-SG 2.79Å; L39-C42 WeakPolarHBondContact O-CB 3.34Å; L39-C42 PolarHBondContact O-N 2.85Å; C42-S44 VanDerWaalsContact C-N 3.28Å; C42-S44 PolarHBondContact O-N 3.41Å; C42-G45 PolarHBondContact O-N 3.33Å; C42-V162 HydrophobicContact CB-CB 4.35Å; C42-V162 HydrophobicContact CB-CG1 3.72Å; C42-I164 HydrophobicContact CB-CD1 3.85Å; C42-I164 HydrophobicContact CB-CG1 4.03Å
43	A	97.2	Very high	98.2	Very high	75 Å²	75	28 Å²	28	62%	0.62	18%	0.18	S	C	*	.	H	α-helix	trans	-64.7	-29.3	-176.8	0	0	0	0	0	113.6	L39 A40 G45 I164	L39-A43 WeakPolarHBondContact O-CB 3.45Å; L39-A43 PolarHBondContact O-N 3.42Å; A40-A43 PolarHBondContact O-N 2.94Å; A43-G45 VanDerWaalsContact C-N 3.27Å; A43-I164 HydrophobicContact CB-CD1 3.88Å
44	S	97.5	Very high	98.3	Very high	85 Å²	85	30.4 Å²	30.4	59%	0.594	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.8	175	62.3	0	0	0	0	113.8	A40 L41 C42 L46	A40-S44 WeakPolarHBondContact O-CB 3.37Å; A40-S44 PolarHBondContact O-N 3.4Å; A40-S44 PolarHBondContact O-OG 3.41Å; A40-S44 VanDerWaalsContact O-OG 3.13Å; L41-S44 PolarHBondContact O-OG 3.38Å; L41-S44 VanDerWaalsContact O-OG 3.04Å; C42-S44 VanDerWaalsContact C-N 3.28Å; C42-S44 PolarHBondContact O-N 3.41Å; S44-L46 VanDerWaalsContact C-N 3.26Å; S44-L46 PolarHBondContact O-N 3.48Å
45	G	97.9	Very high	98.3	Very high	26 Å²	26	30.5 Å²	30.5	27%	0.268	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	13.5	-176.1	0	0	0	0	0	113.9	L41 C42 A43 Y47 N48	L41-G45 PolarHBondContact O-N 2.84Å; C42-G45 PolarHBondContact O-N 3.33Å; A43-G45 VanDerWaalsContact C-N 3.27Å; G45-Y47 PolarHBondContact O-N 3.23Å; G45-N48 WeakPolarHBondContact O-CB 3.47Å; G45-N48 PolarHBondContact O-N 2.88Å
46	L	98.3	Very high	98.3	Very high	45 Å²	45	32 Å²	32	24%	0.236	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.8	-178.1	-179.3	140.4	0	0	0	112	L41 S44 N48 C50 P66	L41-L46 HydrophobicContact CB-CB 4.33Å; L41-L46 HydrophobicContact CD1-CD2 4.4Å; L41-L46 HydrophobicContact CD2-CB 4.02Å; L41-L46 HydrophobicContact CD2-CD1 3.55Å; L41-L46 HydrophobicContact CD2-CD2 4.26Å; L41-L46 HydrophobicContact CD2-CG 4.12Å; L41-L46 PolarHBondContact O-N 3.31Å; L41-L46 VanDerWaalsContact O-N 3.08Å; S44-L46 VanDerWaalsContact C-N 3.26Å; S44-L46 PolarHBondContact O-N 3.48Å; L46-N48 VanDerWaalsContact C-N 3.3Å; L46-N48 PolarHBondContact O-N 3.1Å; L46-C50 PolarHBondContact O-SG 3.15Å; L46-C50 VanDerWaalsContact O-SG 3.37Å; L46-P66 HydrophobicContact CD1-CG 3.99Å; L46-P66 HydrophobicContact CD2-CG 3.53Å; L46-P66 HydrophobicContact CG-CG 3.63Å
47	Y	98.8	Very high	98.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-11	-179.7	-64	-50.9	0	0	0	114	F38 L41 G45 G49 C50 S109 F111 I159	F38-Y47 AromaticContact CD2-CE2 3.62Å; F38-Y47 HydrophobicContact CD2-CE2 3.62Å; F38-Y47 AromaticContact CD2-CZ 3.93Å; F38-Y47 HydrophobicContact CE2-CD2 4.33Å; F38-Y47 AromaticContact CE2-CE2 3.69Å; F38-Y47 HydrophobicContact CE2-CE2 3.69Å; F38-Y47 HydrophobicContact CG-CE2 4.47Å; L41-Y47 HydrophobicContact CB-CD2 4.2Å; L41-Y47 HydrophobicContact CB-CE2 3.53Å; L41-Y47 WeakPolarHBondContact CD1-OH 3.36Å; G45-Y47 PolarHBondContact O-N 3.23Å; Y47-G49 PolarHBondContact O-N 3.02Å; Y47-C50 VanDerWaalsContact O-CB 3.28Å; Y47-C50 WeakPolarHBondContact O-CB 3.44Å; Y47-C50 PolarHBondContact O-N 3.34Å; Y47-S109 WeakPolarHBondContact CE1-O 3.44Å; Y47-S109 PolarHBondContact OH-O 2.92Å; Y47-F111 HydrophobicContact CD1-CE1 4.07Å; Y47-F111 HydrophobicContact CE1-CD1 4.13Å; Y47-F111 AromaticContact CE1-CE1 3.7Å; Y47-F111 HydrophobicContact CE1-CE1 3.7Å; Y47-F111 HydrophobicContact CE2-CE1 4.39Å; Y47-F111 AromaticContact CZ-CE1 3.86Å; Y47-I159 WeakPolarHBondContact O-CB 3.37Å
48	N	98.4	Very high	98.3	Very high	66 Å²	66	36.4 Å²	36.4	35%	0.353	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	123	179.8	-63.7	7.8	0	0	0	109.5	G45 L46 C50 D161	G45-N48 WeakPolarHBondContact O-CB 3.47Å; G45-N48 PolarHBondContact O-N 2.88Å; L46-N48 VanDerWaalsContact C-N 3.3Å; L46-N48 PolarHBondContact O-N 3.1Å; N48-C50 VanDerWaalsContact C-N 3.3Å; N48-C50 PolarHBondContact O-N 3.14Å; N48-D161 PolarHBondContact ND2-OD1 3.49Å; N48-D161 WeakPolarHBondContact OD1-CA 2.96Å; N48-D161 PolarHBondContact OD1-OD1 2.87Å
49	G	98.1	Very high	98.3	Very high	33 Å²	33	38.8 Å²	38.8	34%	0.34	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	-3.8	-173.6	0	0	0	0	0	115.2	Y47 S51 R158 I159	Y47-G49 PolarHBondContact O-N 3.02Å; G49-S51 PolarHBondContact O-N 2.84Å; G49-R158 PolarHBondContact O-NH1 2.95Å; G49-I159 VanDerWaalsContact CA-O 3.31Å; G49-I159 WeakPolarHBondContact CA-O 3.28Å; G49-I159 PolarHBondContact N-O 2.97Å
50	C	98.6	Very high	98.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.014	23%	0.228	C	C	.	.			trans	-60.7	128.2	175.1	-80.5	0	0	0	0	110.2	L46 Y47 N48 R158 I159	L46-C50 PolarHBondContact O-SG 3.15Å; L46-C50 VanDerWaalsContact O-SG 3.37Å; Y47-C50 VanDerWaalsContact O-CB 3.28Å; Y47-C50 WeakPolarHBondContact O-CB 3.44Å; Y47-C50 PolarHBondContact O-N 3.34Å; N48-C50 VanDerWaalsContact C-N 3.3Å; N48-C50 PolarHBondContact O-N 3.14Å; C50-R158 CarbonylContact O-C 3.48Å; C50-R158 VanDerWaalsContact O-CA 3.27Å; C50-R158 WeakPolarHBondContact O-CA 3.36Å; C50-I159 PolarHBondContact O-N 2.99Å
51	S	98.5	Very high	98.4	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.021	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-86.6	156.5	176.3	52.7	0	0	0	0	112.7	G49 H53 T63 E156 S157	G49-S51 PolarHBondContact O-N 2.84Å; S51-H53 PolarHBondContact O-N 3.05Å; S51-H53 VanDerWaalsContact O-N 3.13Å; S51-T63 PolarHBondContact O-OG1 3.46Å; S51-E156 WeakPolarHBondContact CB-OE1 3.18Å; S51-E156 PolarHBondContact OG-OE1 2.81Å; S51-E156 VanDerWaalsContact OG-OE1 3.1Å; S51-S157 WeakPolarHBondContact CA-O 3.43Å
52	F	98.7	Very high	98.4	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.018	22%	0.216	C	C	.	.			trans	-77.4	89.6	165.7	-64.1	-80.2	0	0	0	108.5	T17 V61 Q62 T63 F113 L141 P153 S157 I159	T17-F52 HydrophobicContact CG2-CE2 4.12Å; T17-F52 HydrophobicContact CG2-CZ 3.97Å; F52-V61 HydrophobicContact CB-CG2 3.88Å; F52-V61 HydrophobicContact CD1-CG2 3.74Å; F52-V61 HydrophobicContact CG-CG2 4.13Å; F52-Q62 CarbonylContact C-O 3.59Å; F52-Q62 WeakPolarHBondContact CA-O 3.45Å; F52-T63 HydrophobicContact CD1-CG2 4.06Å; F52-T63 HydrophobicContact CE1-CG2 3.88Å; F52-F113 HydrophobicContact CE1-CD2 4.42Å; F52-F113 HydrophobicContact CE1-CE2 4.02Å; F52-L141 HydrophobicContact CB-CD2 4.41Å; F52-L141 HydrophobicContact CD1-CD1 4.45Å; F52-L141 HydrophobicContact CD1-CD2 4.33Å; F52-L141 HydrophobicContact CD2-CD2 3.56Å; F52-L141 HydrophobicContact CE1-CD1 4.03Å; F52-L141 HydrophobicContact CE2-CD1 4.24Å; F52-L141 HydrophobicContact CE2-CD2 3.83Å; F52-L141 HydrophobicContact CG-CD2 3.85Å; F52-L141 HydrophobicContact CZ-CD1 3.92Å; F52-L141 HydrophobicContact CZ-CD2 4.3Å; F52-P153 WeakPolarHBondContact O-CD 3.17Å; F52-P153 WeakPolarHBondContact O-CG 3.2Å; F52-S157 WeakPolarHBondContact CD2-O 3.2Å; F52-S157 PolarHBondContact N-O 2.65Å; F52-I159 HydrophobicContact CE2-CG1 4.44Å; F52-I159 HydrophobicContact CZ-CG1 4.14Å
53	H	98.5	Very high	98.4	Very high	13 Å²	13	36.1 Å²	36.1	6%	0.06	21%	0.214	C	C	.	.			trans	-84	-11.7	-166.8	57.3	-93.5	0	0	0	114.6	S51 Q62 G70 Q110	S51-H53 PolarHBondContact O-N 3.05Å; S51-H53 VanDerWaalsContact O-N 3.13Å; H53-Q62 PolarHBondContact N-O 3.35Å; H53-Q62 VanDerWaalsContact N-O 3.11Å; H53-G70 WeakPolarHBondContact CD2-CA 3.41Å; H53-Q110 PolarHBondContact CE1-OE1 3.47Å; H53-Q110 VanDerWaalsContact CE1-OE1 3.28Å; H53-Q110 PolarHBondContact NE2-OE1 2.95Å
54	R	98.6	Very high	98.5	Very high	97 Å²	97	32.5 Å²	32.5	37%	0.366	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	123.4	176.5	-173.1	-171.9	179.5	-154.6	2.1	110.3	M60 V61 Q62 F151	R54-M60 HydrophobicContact CG-CE 3.91Å; R54-V61 CarbonylContact O-C 3.51Å; R54-V61 WeakPolarHBondContact O-CA 3.21Å; R54-Q62 HydrophobicContact CB-CB 4.22Å; R54-Q62 PolarHBondContact O-N 3.18Å; R54-F151 HydrophobicContact CG-CB 4.14Å
55	N	98.8	Very high	98.5	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.011	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	116.6	-174.2	-178	3.9	0	0	0	109.9	V61 Y115 L141 V146 F151 P153	N55-V61 HydrophobicContact CB-CB 4.48Å; N55-V61 HydrophobicContact CB-CG2 4.01Å; N55-Y115 VanDerWaalsContact OD1-CE2 3.28Å; N55-Y115 WeakPolarHBondContact OD1-CE2 3.43Å; N55-Y115 PolarHBondContact OD1-OH 2.93Å; N55-L141 PolarHBondContact ND2-O 3.31Å; N55-V146 HydrophobicContact CB-CG1 3.95Å; N55-F151 PolarHBondContact N-O 2.86Å; N55-P153 HydrophobicContact CB-CG 3.96Å
56	I	98.6	Very high	98.5	Very high	32 Å²	32	30.5 Å²	30.5	16%	0.164	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	105.7	-178.7	-56.9	178.6	0	0	0	107.8	G58 F59 M60 Y115 F151	I56-G58 PolarHBondContact O-N 3.13Å; I56-F59 HydrophobicContact CB-CB 4.02Å; I56-F59 HydrophobicContact CB-CD1 4.04Å; I56-F59 HydrophobicContact CD1-CD1 4Å; I56-F59 HydrophobicContact CD1-CE1 4.5Å; I56-F59 HydrophobicContact CG2-CB 3.74Å; I56-F59 HydrophobicContact CG2-CD1 4.12Å; I56-F59 HydrophobicContact CG2-CG 4.4Å; I56-F59 WeakPolarHBondContact O-CA 3.14Å; I56-F59 WeakPolarHBondContact O-CB 3.43Å; I56-F59 PolarHBondContact O-N 2.81Å; I56-M60 HydrophobicContact CB-CE 4.18Å; I56-M60 HydrophobicContact CD1-CE 3.63Å; I56-M60 HydrophobicContact CG1-CE 3.75Å; I56-M60 PolarHBondContact N-O 3.48Å; I56-M60 PolarHBondContact O-N 2.8Å; I56-M60 VanDerWaalsContact O-N 3.08Å; I56-Y115 WeakPolarHBondContact O-CD2 3.47Å; I56-F151 HydrophobicContact CD1-CB 4.47Å; I56-F151 HydrophobicContact CD1-CD2 4.06Å; I56-F151 HydrophobicContact CD1-CE2 4.44Å; I56-F151 HydrophobicContact CD1-CG 4.1Å; I56-F151 HydrophobicContact CG1-CB 3.82Å; I56-F151 HydrophobicContact CG1-CD1 3.92Å; I56-F151 HydrophobicContact CG1-CD2 4.2Å; I56-F151 HydrophobicContact CG1-CG 3.71Å
57	K	98.4	Very high	98.5	Very high	163 Å²	163	32.4 Å²	32.4	71%	0.709	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	134.8	179.3	-178.5	169.2	-179	174.3	0	111.9	F59 E142	K57-F59 PolarHBondContact O-N 3.09Å; K57-E142 HydrophobicContact CB-CG 4.41Å; K57-E142 HydrophobicContact CG-CG 3.94Å
58	G	98.2	Very high	98.3	Very high	37 Å²	37	33 Å²	33	38%	0.381	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	-5.8	-176.2	0	0	0	0	0	115.1	I56 Q118 E142	I56-G58 PolarHBondContact O-N 3.13Å; G58-Q118 PolarHBondContact O-NE2 3.25Å; G58-E142 WeakPolarHBondContact CA-OE1 3.26Å; G58-E142 PolarHBondContact N-OE1 3.5Å
59	F	98.7	Very high	98.2	Very high	49 Å²	49	34.2 Å²	34.2	22%	0.215	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-80.1	-177.7	-178.5	-132.8	0	0	0	111.6	I56 K57 Y115 Q118 H120 L121	I56-F59 HydrophobicContact CB-CB 4.02Å; I56-F59 HydrophobicContact CB-CD1 4.04Å; I56-F59 HydrophobicContact CD1-CD1 4Å; I56-F59 HydrophobicContact CD1-CE1 4.5Å; I56-F59 HydrophobicContact CG2-CB 3.74Å; I56-F59 HydrophobicContact CG2-CD1 4.12Å; I56-F59 HydrophobicContact CG2-CG 4.4Å; I56-F59 WeakPolarHBondContact O-CA 3.14Å; I56-F59 WeakPolarHBondContact O-CB 3.43Å; I56-F59 PolarHBondContact O-N 2.81Å; K57-F59 PolarHBondContact O-N 3.09Å; F59-Y115 PolarHBondContact O-N 2.82Å; F59-Q118 VanDerWaalsContact CD2-CD 3.44Å; F59-Q118 HydrophobicContact CD2-CG 3.86Å; F59-Q118 HydrophobicContact CE2-CB 4.45Å; F59-Q118 HydrophobicContact CE2-CG 3.99Å; F59-H120 AromaticContact CE2-CE1 3.62Å; F59-H120 AromaticContact CE2-NE2 3.46Å; F59-H120 WeakPolarHBondContact CE2-NE2 3.44Å; F59-H120 AromaticContact CZ-NE2 3.93Å; F59-L121 HydrophobicContact CE2-CD1 3.92Å; F59-L121 HydrophobicContact CE2-CD2 4.28Å; F59-L121 HydrophobicContact CE2-CG 4.37Å; F59-L121 HydrophobicContact CZ-CD1 4.2Å; F59-L121 HydrophobicContact CZ-CD2 4.12Å
60	M	98.7	Very high	98.1	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.02	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	163.3	-175.3	64.2	85.7	-138.8	0	0	112.5	R54 I56 Q62 F112 F113	R54-M60 HydrophobicContact CG-CE 3.91Å; I56-M60 HydrophobicContact CB-CE 4.18Å; I56-M60 HydrophobicContact CD1-CE 3.63Å; I56-M60 HydrophobicContact CG1-CE 3.75Å; I56-M60 PolarHBondContact N-O 3.48Å; I56-M60 PolarHBondContact O-N 2.8Å; I56-M60 VanDerWaalsContact O-N 3.08Å; M60-Q62 HydrophobicContact SD-CB 3.89Å; M60-F112 HydrophobicContact CB-CD2 3.91Å; M60-F112 HydrophobicContact CG-CD2 4.38Å; M60-F112 HydrophobicContact SD-CB 4.06Å; M60-F112 HydrophobicContact SD-CG 4.48Å; M60-F113 CarbonylContact C-O 3.56Å; M60-F113 WeakPolarHBondContact CA-O 3.49Å; M60-F113 WeakPolarHBondContact CB-O 3.24Å
61	V	98.9	Very high	97.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.8	167.5	59.1	0	0	0	0	110.5	F52 R54 N55 F112 F113 Y115 L138 L141	F52-V61 HydrophobicContact CB-CG2 3.88Å; F52-V61 HydrophobicContact CD1-CG2 3.74Å; F52-V61 HydrophobicContact CG-CG2 4.13Å; R54-V61 CarbonylContact O-C 3.51Å; R54-V61 WeakPolarHBondContact O-CA 3.21Å; N55-V61 HydrophobicContact CB-CB 4.48Å; N55-V61 HydrophobicContact CB-CG2 4.01Å; V61-F112 CarbonylContact O-C 3.57Å; V61-F112 WeakPolarHBondContact O-CA 3.34Å; V61-F112 VanDerWaalsContact O-CB 3.26Å; V61-F112 WeakPolarHBondContact O-CB 3.22Å; V61-F113 HydrophobicContact CG1-CB 3.98Å; V61-F113 HydrophobicContact CG1-CD2 4.08Å; V61-F113 HydrophobicContact CG1-CG 4.5Å; V61-F113 PolarHBondContact N-O 2.71Å; V61-F113 PolarHBondContact O-N 3.48Å; V61-Y115 HydrophobicContact CB-CE1 4.45Å; V61-Y115 HydrophobicContact CB-CE2 3.9Å; V61-Y115 WeakPolarHBondContact CB-OH 3.44Å; V61-Y115 HydrophobicContact CG1-CE1 3.84Å; V61-Y115 HydrophobicContact CG1-CE2 4.15Å; V61-Y115 VanDerWaalsContact CG1-CZ 3.46Å; V61-Y115 WeakPolarHBondContact CG1-OH 3.14Å; V61-L138 HydrophobicContact CG1-CD1 4Å; V61-L141 HydrophobicContact CG1-CD1 4.49Å
62	Q	98.9	Very high	97.8	Very high	22 Å²	22	43.5 Å²	43.5	10%	0.103	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141	-170.1	-173.2	179.6	-23.3	0	0	111.1	F52 H53 R54 M60 A100 F111 F112	F52-Q62 CarbonylContact C-O 3.59Å; F52-Q62 WeakPolarHBondContact CA-O 3.45Å; H53-Q62 PolarHBondContact N-O 3.35Å; H53-Q62 VanDerWaalsContact N-O 3.11Å; R54-Q62 HydrophobicContact CB-CB 4.22Å; R54-Q62 PolarHBondContact O-N 3.18Å; M60-Q62 HydrophobicContact SD-CB 3.89Å; Q62-A100 HydrophobicContact CG-CB 4.34Å; Q62-F111 WeakPolarHBondContact CA-O 3.29Å; Q62-F112 HydrophobicContact CB-CB 4.02Å; Q62-F112 HydrophobicContact CG-CB 4.27Å
63	T	98.8	Very high	97.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	-164.4	-179.4	-167	0	0	0	0	110.7	S51 F52 Q110 F111 F113 I159	S51-T63 PolarHBondContact O-OG1 3.46Å; F52-T63 HydrophobicContact CD1-CG2 4.06Å; F52-T63 HydrophobicContact CE1-CG2 3.88Å; T63-Q110 VanDerWaalsContact O-CA 3.3Å; T63-Q110 WeakPolarHBondContact O-CA 3.49Å; T63-Q110 WeakPolarHBondContact O-CB 3.35Å; T63-F111 HydrophobicContact CG2-CD1 4.31Å; T63-F111 HydrophobicContact CG2-CD2 4.23Å; T63-F111 HydrophobicContact CG2-CE1 3.72Å; T63-F111 HydrophobicContact CG2-CE2 3.65Å; T63-F111 HydrophobicContact CG2-CZ 3.36Å; T63-F111 PolarHBondContact N-O 2.93Å; T63-F111 PolarHBondContact O-N 3.31Å; T63-F111 VanDerWaalsContact O-N 3.12Å; T63-F113 HydrophobicContact CG2-CE2 4.47Å; T63-I159 HydrophobicContact CG2-CD1 4.02Å
64	G	98.4	Very high	97.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.262	C	S	.	.			trans	83.8	17.7	176.1	0	0	0	0	0	114.5	S109	G64-S109 CarbonylContact O-C 3.12Å; G64-S109 WeakPolarHBondContact O-CB 3.35Å; G64-S109 PolarHBondContact O-OG 3.15Å
65	D	98.5	Very high	97.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.246	C	C	.	.			trans	-104	108.1	168.6	-177.9	-1.7	0	0	0	110.1	T67 G68 T69 G70 K71 G72 Q110	D65-T67 PolarHBondContact O-N 3.09Å; D65-T67 VanDerWaalsContact O-N 3.1Å; D65-T67 WeakPolarHBondContact OD1-CB 3.43Å; D65-T67 PolarHBondContact OD1-N 2.86Å; D65-T67 PolarHBondContact OD1-OG1 2.82Å; D65-T67 PolarHBondContact OD2-OG1 2.95Å; D65-G68 PolarHBondContact O-N 3.33Å; D65-T69 PolarHBondContact OD2-N 2.91Å; D65-T69 PolarHBondContact OD2-OG1 2.78Å; D65-G70 VanDerWaalsContact OD2-CA 3.29Å; D65-G70 WeakPolarHBondContact OD2-CA 3.44Å; D65-G70 PolarHBondContact OD2-N 2.91Å; D65-K71 PolarHBondContact OD2-N 3.16Å; D65-K71 VanDerWaalsContact OD2-N 3.12Å; D65-G72 WeakPolarHBondContact OD1-CA 2.98Å; D65-G72 PolarHBondContact OD2-N 3.02Å; D65-Q110 HydrophobicContact CB-CG 3.93Å
66	P	97.4	Very high	97.5	Very high	68 Å²	68	45.3 Å²	45.3	44%	0.442	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-21.7	178	-25.8	36	0	0	0	114.3	L46	L46-P66 HydrophobicContact CD1-CG 3.99Å; L46-P66 HydrophobicContact CD2-CG 3.53Å; L46-P66 HydrophobicContact CG-CG 3.63Å
67	T	97.3	Very high	97.5	Very high	86 Å²	86	47.7 Å²	47.7	53%	0.528	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-17.3	176.9	73.2	0	0	0	0	112.6	D65 T69	D65-T67 PolarHBondContact O-N 3.09Å; D65-T67 VanDerWaalsContact O-N 3.1Å; D65-T67 WeakPolarHBondContact OD1-CB 3.43Å; D65-T67 PolarHBondContact OD1-N 2.86Å; D65-T67 PolarHBondContact OD1-OG1 2.82Å; D65-T67 PolarHBondContact OD2-OG1 2.95Å; T67-T69 PolarHBondContact O-N 2.91Å; T67-T69 WeakPolarHBondContact OG1-CG2 3.4Å; T67-T69 PolarHBondContact OG1-N 2.84Å; T67-T69 PolarHBondContact OG1-OG1 2.62Å
68	G	96.1	Very high	97.5	Very high	11 Å²	11	42.8 Å²	42.8	11%	0.113	26%	0.264	C	S	.	.	S	Bend	trans	66.2	7.9	-174.7	0	0	0	0	0	115.1	D65	D65-G68 PolarHBondContact O-N 3.33Å
69	T	96	Very high	97.4	Very high	93 Å²	93	49.6 Å²	49.6	57%	0.571	28%	0.278	S	S	*	.	S	Bend	trans	-84.5	-18.1	-176.6	65.2	0	0	0	0	113.2	D65 T67 K71	D65-T69 PolarHBondContact OD2-N 2.91Å; D65-T69 PolarHBondContact OD2-OG1 2.78Å; T67-T69 PolarHBondContact O-N 2.91Å; T67-T69 WeakPolarHBondContact OG1-CG2 3.4Å; T67-T69 PolarHBondContact OG1-N 2.84Å; T67-T69 PolarHBondContact OG1-OG1 2.62Å; T69-K71 PolarHBondContact OG1-N 3.46Å
70	G	95.8	Very high	97.4	Very high	25 Å²	25	51.8 Å²	51.8	26%	0.258	29%	0.288	S	S	.	.	S	Bend	trans	80.4	-1.3	-169.8	0	0	0	0	0	114.1	H53 D65 Q110	H53-G70 WeakPolarHBondContact CD2-CA 3.41Å; D65-G70 VanDerWaalsContact OD2-CA 3.29Å; D65-G70 WeakPolarHBondContact OD2-CA 3.44Å; D65-G70 PolarHBondContact OD2-N 2.91Å; G70-Q110 PolarHBondContact O-NE2 3.5Å; G70-Q110 VanDerWaalsContact O-NE2 3.08Å
71	K	95.1	Very high	97.4	Very high	189 Å²	189	51.9 Å²	51.9	82%	0.822	29%	0.288	S	S	*	.	S	Bend	trans	-113.8	-11	-178.1	-60.5	-176.3	-177.9	-180	0	113.2	D65 T69	D65-K71 PolarHBondContact OD2-N 3.16Å; D65-K71 VanDerWaalsContact OD2-N 3.12Å; T69-K71 PolarHBondContact OG1-N 3.46Å
72	G	94.8	Very high	97.4	Very high	18 Å²	18	55.7 Å²	55.7	19%	0.186	31%	0.306	C	S	.	.			trans	-89.2	-164.8	-179	0	0	0	0	0	113.1	D65 Q110	D65-G72 WeakPolarHBondContact OD1-CA 2.98Å; D65-G72 PolarHBondContact OD2-N 3.02Å; G72-Q110 PolarHBondContact O-NE2 3.32Å
73	G	95.5	Very high	97.4	Very high	22 Å²	22	55.7 Å²	55.7	23%	0.227	31%	0.307	C	S	.	.			trans	91.4	131.7	179.1	0	0	0	0	0	114.1	S109	G73-S109 WeakPolarHBondContact CA-OG 3.2Å
74	T	97.3	Very high	97.3	Very high	65 Å²	65	57.1 Å²	57.1	40%	0.399	31%	0.313	S	S	.	.			trans	-131.8	155.1	179	-165.4	0	0	0	0	110.1	S109	T74-S109 PolarHBondContact N-OG 3.16Å; T74-S109 WeakPolarHBondContact O-CB 3.44Å
75	S	98.5	Very high	97.3	Very high	4 Å²	4	60.9 Å²	60.9	3%	0.028	33%	0.33	C	S	.	.			trans	-74.7	170.2	172.7	75.7	0	0	0	0	110.9	N37 W77 G78 R79	N37-S75 WeakPolarHBondContact OD1-CA 3.39Å; N37-S75 WeakPolarHBondContact OD1-CB 3.27Å; S75-W77 PolarHBondContact O-N 3.21Å; S75-W77 VanDerWaalsContact O-N 3.11Å; S75-W77 PolarHBondContact OG-N 2.91Å; S75-W77 VanDerWaalsContact OG-N 3.13Å; S75-G78 PolarHBondContact O-N 3.01Å; S75-R79 WeakPolarHBondContact CB-O 3.42Å; S75-R79 PolarHBondContact OG-O 2.91Å
76	I	98.4	Very high	97	Very high	63 Å²	63	61.9 Å²	61.9	32%	0.323	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.6	171.9	64.3	172.7	0	0	0	113.7	E36 N37 A40 L41 G78	E36-I76 HydrophobicContact CG-CD1 4.21Å; N37-I76 PolarHBondContact OD1-N 2.86Å; A40-I76 HydrophobicContact CB-CD1 3.99Å; A40-I76 HydrophobicContact CB-CG2 3.7Å; L41-I76 HydrophobicContact CD2-CG2 3.73Å; L41-I76 HydrophobicContact CG-CG2 3.72Å; I76-G78 VanDerWaalsContact C-N 3.32Å
77	W	98.2	Very high	96.9	Very high	82 Å²	82	66 Å²	66	31%	0.311	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	2.8	178.7	-53.5	-72.6	0	0	0	113.2	K33 E36 N37 S75 R79 F81	K33-W77 HydrophobicContact CB-CH2 4.45Å; K33-W77 HydrophobicContact CD-CH2 4.14Å; K33-W77 HydrophobicContact CD-CZ3 4.41Å; K33-W77 HydrophobicContact CG-CH2 3.24Å; K33-W77 HydrophobicContact CG-CZ2 3.87Å; K33-W77 HydrophobicContact CG-CZ3 3.83Å; K33-W77 WeakPolarHBondContact O-CH2 3.43Å; E36-W77 HydrophobicContact CG-CZ2 4.49Å; N37-W77 HydrophobicContact CB-CH2 3.74Å; N37-W77 HydrophobicContact CB-CZ3 3.74Å; S75-W77 PolarHBondContact O-N 3.21Å; S75-W77 VanDerWaalsContact O-N 3.11Å; S75-W77 PolarHBondContact OG-N 2.91Å; S75-W77 VanDerWaalsContact OG-N 3.13Å; W77-R79 HydrophobicContact CB-CG 4.13Å; W77-R79 PolarHBondContact O-N 2.86Å; W77-R79 VanDerWaalsContact O-N 3.12Å; W77-F81 HydrophobicContact CE3-CB 4.16Å; W77-F81 HydrophobicContact CE3-CD1 4.1Å; W77-F81 HydrophobicContact CE3-CG 4.25Å; W77-F81 HydrophobicContact CZ3-CB 4.07Å; W77-F81 AromaticContact CZ3-CD1 3.69Å; W77-F81 HydrophobicContact CZ3-CD1 3.69Å; W77-F81 HydrophobicContact CZ3-CD2 4.26Å; W77-F81 HydrophobicContact CZ3-CE1 4.11Å; W77-F81 AromaticContact CZ3-CG 3.76Å; W77-F81 HydrophobicContact CZ3-CG 3.76Å
78	G	97.4	Very high	96.7	Very high	60 Å²	60	68.3 Å²	68.3	62%	0.619	36%	0.355	S	S	*	.	S	Bend	trans	68.6	7	-178.5	0	0	0	0	0	114.7	S75 I76	S75-G78 PolarHBondContact O-N 3.01Å; I76-G78 VanDerWaalsContact C-N 3.32Å
79	R	97.3	Very high	96.7	Very high	181 Å²	181	69.1 Å²	69.1	68%	0.683	36%	0.356	S	S	*	.	S	Bend	trans	-139.9	168.8	-179.5	63	-180	177.6	-177.7	-0.7	111.1	S75 W77	S75-R79 WeakPolarHBondContact CB-O 3.42Å; S75-R79 PolarHBondContact OG-O 2.91Å; W77-R79 HydrophobicContact CB-CG 4.13Å; W77-R79 PolarHBondContact O-N 2.86Å; W77-R79 VanDerWaalsContact O-N 3.12Å
80	K	98.3	Very high	96.8	Very high	95 Å²	95	69.5 Å²	69.5	41%	0.413	35%	0.35	S	S	.	.			trans	-70.6	155	172.3	-59.3	-52.8	-167.6	174	0	111.6	T106 N107	K80-T106 WeakPolarHBondContact CD-O 3.41Å; K80-N107 VanDerWaalsContact CA-O 3.28Å; K80-N107 WeakPolarHBondContact CA-O 3.29Å; K80-N107 WeakPolarHBondContact CD-O 3.38Å
81	F	98.6	Very high	96.9	Very high	6 Å²	6	68.3 Å²	68.3	3%	0.026	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-131	163.7	177.7	71.4	-86.7	0	0	0	112.8	K33 N37 W77 M99 N105 N107 G108	K33-F81 HydrophobicContact CD-CB 4.26Å; K33-F81 HydrophobicContact CD-CD2 4Å; K33-F81 HydrophobicContact CD-CG 4.47Å; K33-F81 HydrophobicContact CG-CD2 4.01Å; K33-F81 HydrophobicContact CG-CE2 4.44Å; N37-F81 HydrophobicContact CB-CE1 4.21Å; N37-F81 HydrophobicContact CB-CZ 4.17Å; W77-F81 HydrophobicContact CE3-CB 4.16Å; W77-F81 HydrophobicContact CE3-CD1 4.1Å; W77-F81 HydrophobicContact CE3-CG 4.25Å; W77-F81 HydrophobicContact CZ3-CB 4.07Å; W77-F81 AromaticContact CZ3-CD1 3.69Å; W77-F81 HydrophobicContact CZ3-CD1 3.69Å; W77-F81 HydrophobicContact CZ3-CD2 4.26Å; W77-F81 HydrophobicContact CZ3-CE1 4.11Å; W77-F81 AromaticContact CZ3-CG 3.76Å; W77-F81 HydrophobicContact CZ3-CG 3.76Å; F81-M99 HydrophobicContact CE1-CE 4.24Å; F81-M99 HydrophobicContact CZ-CE 3.92Å; F81-N105 CarbonylContact O-C 3.51Å; F81-N107 HydrophobicContact CD1-CB 3.74Å; F81-N107 VanDerWaalsContact CD1-O 3.26Å; F81-N107 WeakPolarHBondContact CD1-O 3.32Å; F81-N107 HydrophobicContact CD2-CB 3.88Å; F81-N107 HydrophobicContact CE1-CB 3.45Å; F81-N107 VanDerWaalsContact CE1-CB 3.45Å; F81-N107 HydrophobicContact CE2-CB 3.59Å; F81-N107 HydrophobicContact CG-CB 3.97Å; F81-N107 HydrophobicContact CZ-CB 3.38Å; F81-N107 PolarHBondContact N-O 2.81Å; F81-N107 VanDerWaalsContact N-O 3.11Å; F81-N107 PolarHBondContact O-N 2.86Å; F81-N107 VanDerWaalsContact O-N 3.09Å; F81-N107 PolarHBondContact O-ND2 2.87Å; F81-G108 WeakPolarHBondContact CE1-O 3.3Å
82	E	98.6	Very high	97	Very high	80 Å²	80	63.3 Å²	63.3	37%	0.374	32%	0.32	S	S	.	.			trans	-62.8	157.9	-173.6	63.9	-87.5	-153.4	0	0	114.3	K33 N105 N107	K33-E82 VanDerWaalsContact CD-CD 3.41Å; K33-E82 HydrophobicContact CD-CG 4.36Å; K33-E82 WeakPolarHBondContact CD-OE1 3.3Å; K33-E82 WeakPolarHBondContact CE-OE1 3.39Å; K33-E82 WeakPolarHBondContact CE-OE2 3.22Å; K33-E82 IonicContact NZ-OE1 2.68Å; K33-E82 PolarHBondContact NZ-OE1 2.96Å; K33-E82 IonicContact NZ-OE2 2.65Å; K33-E82 PolarHBondContact NZ-OE2 2.76Å; E82-N105 VanDerWaalsContact CA-OD1 3.27Å; E82-N105 WeakPolarHBondContact CA-OD1 3.35Å; E82-N105 HydrophobicContact CB-CB 4.48Å; E82-N105 WeakPolarHBondContact CB-OD1 3.33Å; E82-N107 PolarHBondContact O-ND2 2.91Å
83	D	98.6	Very high	97.2	Very high	22 Å²	22	64.9 Å²	64.9	12%	0.118	33%	0.326	C	S	.	.			trans	-79.5	146.9	169.4	-58.6	-50.2	0	0	0	111.1	F85 N101 P104 N105 N107 T126	D83-F85 HydrophobicContact CB-CD1 4.18Å; D83-F85 HydrophobicContact CB-CD2 4.38Å; D83-F85 HydrophobicContact CB-CE1 3.51Å; D83-F85 HydrophobicContact CB-CE2 3.74Å; D83-F85 HydrophobicContact CB-CZ 3.26Å; D83-N101 PolarHBondContact OD1-ND2 2.84Å; D83-P104 WeakPolarHBondContact OD2-CA 3.31Å; D83-N105 PolarHBondContact N-OD1 2.95Å; D83-N105 PolarHBondContact OD2-N 2.96Å; D83-N107 PolarHBondContact OD1-ND2 2.85Å; D83-T126 WeakPolarHBondContact CA-OG1 3.27Å
84	E	98.1	Very high	97.3	Very high	29 Å²	29	66.8 Å²	66.8	14%	0.136	33%	0.326	C	S	.	.			trans	-124.1	87.2	178.7	-62.4	172.3	115	0	0	108.9	A31 P32 K33 S34 T126	A31-E84 VanDerWaalsContact C-OE2 3.27Å; A31-E84 WeakPolarHBondContact CA-OE2 3.41Å; A31-E84 HydrophobicContact CB-CB 4.21Å; P32-E84 WeakPolarHBondContact CD-OE1 3.45Å; P32-E84 WeakPolarHBondContact CG-OE1 3.46Å; K33-E84 VanDerWaalsContact CB-OE1 3.25Å; K33-E84 WeakPolarHBondContact CB-OE1 3.35Å; K33-E84 PolarHBondContact N-OE1 3.26Å; K33-E84 PolarHBondContact N-OE2 3.23Å; S34-E84 VanDerWaalsContact CB-OE2 3.31Å; S34-E84 WeakPolarHBondContact CB-OE2 3.2Å; S34-E84 PolarHBondContact N-OE2 2.9Å; S34-E84 PolarHBondContact OG-OE2 3.11Å; E84-T126 HydrophobicContact CB-CG2 3.84Å; E84-T126 PolarHBondContact N-OG1 3.4Å; E84-T126 WeakPolarHBondContact O-CG2 3.39Å
85	F	97.4	Very high	97.4	Very high	80 Å²	80	63.7 Å²	63.7	35%	0.351	31%	0.307	S	S	.	.			trans	-89.3	142.4	-176.8	-54.9	-43.7	0	0	0	112.2	D83 M123	D83-F85 HydrophobicContact CB-CD1 4.18Å; D83-F85 HydrophobicContact CB-CD2 4.38Å; D83-F85 HydrophobicContact CB-CE1 3.51Å; D83-F85 HydrophobicContact CB-CE2 3.74Å; D83-F85 HydrophobicContact CB-CZ 3.26Å; F85-M123 HydrophobicContact CB-CE 3.42Å; F85-M123 VanDerWaalsContact CB-CE 3.42Å; F85-M123 HydrophobicContact CB-SD 3.75Å; F85-M123 HydrophobicContact CD2-CE 4.19Å; F85-M123 WeakPolarHBondContact CE2-O 3.31Å; F85-M123 HydrophobicContact CG-CE 4.08Å; F85-M123 HydrophobicContact CG-SD 4.39Å; F85-M123 VanDerWaalsContact CZ-O 3.29Å; F85-M123 WeakPolarHBondContact CZ-O 3.11Å
86	S	93.4	Very high	97.4	Very high	21 Å²	21	63.7 Å²	63.7	15%	0.147	31%	0.307	C	S	.	.			trans	-135.3	132.5	174.6	-172.1	0	0	0	0	110.2	R30 H88 L89	R30-S86 PolarHBondContact NH1-OG 3.37Å; S86-H88 PolarHBondContact O-N 3.28Å; S86-H88 VanDerWaalsContact O-N 3.1Å; S86-H88 PolarHBondContact OG-N 3.13Å; S86-L89 PolarHBondContact O-N 2.64Å; S86-L89 VanDerWaalsContact O-N 3.15Å
87	E	93.8	Very high	97.4	Very high	154 Å²	154	60.7 Å²	60.7	72%	0.72	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.4	175.2	-61.8	-169.3	158.4	0	0	113.2	K90	E87-K90 WeakPolarHBondContact O-CE 3.47Å
88	H	93.7	Very high	97.4	Very high	135 Å²	135	56.8 Å²	56.8	63%	0.625	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-21.1	179.1	-58.8	-78.6	0	0	0	113.2	R30 S86	R30-H88 PolarHBondContact NH1-CD2 3.1Å; S86-H88 PolarHBondContact O-N 3.28Å; S86-H88 VanDerWaalsContact O-N 3.1Å; S86-H88 PolarHBondContact OG-N 3.13Å
89	L	96.4	Very high	97.5	Very high	27 Å²	27	54 Å²	54	14%	0.141	25%	0.247	C	C	.	.			trans	-102.1	108.8	-179.7	-59.7	-176.1	0	0	0	109.3	F27 R30 S86 V127	F27-L89 HydrophobicContact CB-CD1 4.04Å; F27-L89 HydrophobicContact CD2-CD1 3.74Å; F27-L89 HydrophobicContact CD2-CD2 3.53Å; F27-L89 HydrophobicContact CD2-CG 4.26Å; F27-L89 HydrophobicContact CE2-CD2 3.76Å; F27-L89 HydrophobicContact CG-CD1 4.25Å; F27-L89 HydrophobicContact CG-CD2 4.1Å; R30-L89 HydrophobicContact CB-CD1 3.62Å; R30-L89 HydrophobicContact CB-CG 4.41Å; R30-L89 HydrophobicContact CG-CD1 4.34Å; S86-L89 PolarHBondContact O-N 2.64Å; S86-L89 VanDerWaalsContact O-N 3.15Å; L89-V127 HydrophobicContact CB-CB 3.82Å; L89-V127 HydrophobicContact CB-CG1 3.9Å; L89-V127 HydrophobicContact CB-CG2 4.47Å; L89-V127 HydrophobicContact CD1-CB 4.42Å; L89-V127 HydrophobicContact CD1-CG1 4.37Å; L89-V127 VanDerWaalsContact CD1-O 3.31Å; L89-V127 WeakPolarHBondContact CD1-O 3.35Å
90	K	97.6	Very high	97.5	Very high	102 Å²	102	45.9 Å²	45.9	44%	0.443	22%	0.22	S	C	.	.			trans	-128.2	153.2	-175.2	-59	-169.9	-175.8	-173.5	0	110.9	E87 N92	E87-K90 WeakPolarHBondContact O-CE 3.47Å; K90-N92 HydrophobicContact CB-CB 4.08Å; K90-N92 PolarHBondContact O-N 3.27Å; K90-N92 PolarHBondContact O-OD1 3.33Å
91	H	98.5	Very high	97.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-79	56.5	170.6	-55.1	82.9	0	0	0	109.9	S98 F112 K117 Q118 L121 D122 V127	H91-S98 PolarHBondContact NE2-OG 3.46Å; H91-F112 AromaticContact NE2-CZ 3.96Å; H91-K117 CarbonylContact O-C 3.45Å; H91-K117 VanDerWaalsContact O-CA 3.31Å; H91-K117 WeakPolarHBondContact O-CA 3.47Å; H91-Q118 HydrophobicContact CB-CB 4.01Å; H91-Q118 WeakPolarHBondContact CB-O 3.4Å; H91-Q118 PolarHBondContact O-N 2.93Å; H91-L121 PolarHBondContact CE1-O 3.5Å; H91-D122 IonicContact CE1-OD1 2.84Å; H91-D122 IonicContact CG-OD1 3.46Å; H91-D122 PolarHBondContact N-OD1 3.12Å; H91-D122 IonicContact ND1-OD1 3.56Å; H91-D122 PolarHBondContact ND1-OD1 3.1Å; H91-V127 VanDerWaalsContact CE1-CG2 3.47Å; H91-V127 WeakPolarHBondContact CE1-CG2 3.49Å
92	N	97.4	Very high	97.2	Very high	84 Å²	84	49.1 Å²	49.1	45%	0.449	24%	0.241	S	C	.	.			trans	-101.8	0.4	-169.8	68.6	-9.2	0	0	0	114	K90 K117	K90-N92 HydrophobicContact CB-CB 4.08Å; K90-N92 PolarHBondContact O-N 3.27Å; K90-N92 PolarHBondContact O-OD1 3.33Å; N92-K117 WeakPolarHBondContact O-CD 3.45Å; N92-K117 WeakPolarHBondContact O-CE 3.42Å; N92-K117 WeakPolarHBondContact O-CG 3.39Å
93	V	97.6	Very high	96.9	Very high	51 Å²	51	46.5 Å²	46.5	31%	0.309	24%	0.236	S	C	.	.	S	Bend	trans	-146.9	166.4	180	-65.6	0	0	0	0	110.1	V96 T114	V93-V96 HydrophobicContact CG2-CG2 3.76Å; V93-T114 PolarHBondContact O-OG1 2.97Å
94	R	98.5	Very high	96.8	Very high	61 Å²	61	50.5 Å²	50.5	23%	0.23	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	147.6	167.4	178.8	175.4	-171.6	83.2	-1.8	110.1	Y115 L135 L138 D139 E142	R94-Y115 WeakPolarHBondContact CB-O 2.81Å; R94-Y115 VanDerWaalsContact CG-O 3.28Å; R94-Y115 WeakPolarHBondContact CG-O 3.37Å; R94-Y115 VanDerWaalsContact NH1-C 3.35Å; R94-Y115 VanDerWaalsContact NH1-CB 3.29Å; R94-Y115 PolarHBondContact NH1-O 2.72Å; R94-L135 HydrophobicContact CG-CD2 4.37Å; R94-L138 HydrophobicContact CG-CD2 3.87Å; R94-D139 IonicContact CZ-OD1 2.86Å; R94-D139 IonicContact NE-OD1 3.22Å; R94-D139 PolarHBondContact NE-OD1 3.38Å; R94-D139 IonicContact NH2-OD1 3.98Å; R94-D139 PolarHBondContact NH2-OD1 2.84Å; R94-E142 IonicContact CZ-OE2 3.2Å; R94-E142 VanDerWaalsContact CZ-OE2 3.25Å; R94-E142 IonicContact NH1-OE2 2.71Å; R94-E142 PolarHBondContact NH1-OE2 3.09Å; R94-E142 IonicContact NH2-OE2 2.66Å; R94-E142 PolarHBondContact NH2-OE2 3.43Å
95	G	98.6	Very high	96.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	82	14	173.1	0	0	0	0	0	114.9	T114 K130 I131	G95-T114 PolarHBondContact N-O 2.97Å; G95-K130 WeakPolarHBondContact O-CA 3.35Å; G95-I131 PolarHBondContact O-N 2.83Å
96	V	98.8	Very high	96.8	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.03	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	134.1	169.3	179	0	0	0	0	109.2	V93 F113 T114 V127	V93-V96 HydrophobicContact CG2-CG2 3.76Å; V96-F113 WeakPolarHBondContact O-CA 3.48Å; V96-T114 HydrophobicContact CB-CG2 4.48Å; V96-T114 WeakPolarHBondContact CB-OG1 3.19Å; V96-T114 PolarHBondContact N-OG1 2.68Å; V96-T114 PolarHBondContact O-N 2.81Å; V96-T114 PolarHBondContact O-OG1 2.78Å; V96-V127 HydrophobicContact CG1-CB 4.34Å; V96-V127 HydrophobicContact CG1-CG1 3.54Å; V96-V127 HydrophobicContact CG1-CG2 3.91Å
97	V	98.8	Very high	97.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.4	179.5	-166	0	0	0	0	109.5	I24 F111 F112 F113 F128 G129 I131	I24-V97 HydrophobicContact CD1-CG2 4.31Å; I24-V97 HydrophobicContact CG1-CG2 4.33Å; I24-V97 HydrophobicContact CG2-CB 4.42Å; I24-V97 HydrophobicContact CG2-CG2 3.74Å; V97-F111 HydrophobicContact CG1-CD2 3.84Å; V97-F111 HydrophobicContact CG1-CE2 4.47Å; V97-F112 WeakPolarHBondContact CA-O 3.12Å; V97-F113 HydrophobicContact CG1-CD1 4.41Å; V97-F113 HydrophobicContact CG1-CE1 4.19Å; V97-F113 HydrophobicContact CG2-CD1 3.69Å; V97-F113 HydrophobicContact CG2-CE1 3.68Å; V97-F128 HydrophobicContact CG1-CE1 3.75Å; V97-F128 HydrophobicContact CG1-CE2 4.24Å; V97-F128 HydrophobicContact CG1-CZ 3.55Å; V97-F128 PolarHBondContact O-N 3.4Å; V97-F128 VanDerWaalsContact O-N 3.16Å; V97-G129 PolarHBondContact N-O 2.87Å; V97-G129 PolarHBondContact O-N 2.64Å; V97-I131 HydrophobicContact CG2-CG1 4.39Å
98	S	98.8	Very high	97.3	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	149.6	-174.7	-58	0	0	0	0	112.9	H91 F111 F112 T126 V127	H91-S98 PolarHBondContact NE2-OG 3.46Å; S98-F111 CarbonylContact O-C 3.57Å; S98-F111 WeakPolarHBondContact O-CA 3.29Å; S98-F111 WeakPolarHBondContact O-CB 3.13Å; S98-F112 VanDerWaalsContact CB-CZ 3.47Å; S98-F112 PolarHBondContact N-O 2.76Å; S98-F112 WeakPolarHBondContact O-CD1 3.41Å; S98-F112 PolarHBondContact O-N 3.45Å; S98-T126 CarbonylContact C-O 3.45Å; S98-T126 WeakPolarHBondContact CA-O 3.31Å; S98-T126 VanDerWaalsContact CB-O 3.29Å; S98-T126 WeakPolarHBondContact CB-O 3.28Å; S98-V127 WeakPolarHBondContact OG-CG2 3.3Å
99	M	98.8	Very high	97.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	136.6	176.9	-65.4	-55.8	-60.4	0	0	110.1	F81 N107 G108 Q110 F112 Y125 T126 F128	F81-M99 HydrophobicContact CE1-CE 4.24Å; F81-M99 HydrophobicContact CZ-CE 3.92Å; M99-N107 HydrophobicContact CB-CB 4.42Å; M99-N107 WeakPolarHBondContact CB-OD1 3.33Å; M99-N107 HydrophobicContact CE-CB 4.31Å; M99-G108 WeakPolarHBondContact CE-O 3.21Å; M99-Q110 WeakPolarHBondContact CE-O 3.45Å; M99-F112 WeakPolarHBondContact O-CE1 3.24Å; M99-Y125 VanDerWaalsContact O-CD1 3.3Å; M99-Y125 WeakPolarHBondContact O-CD1 3.22Å; M99-T126 PolarHBondContact N-O 2.75Å; M99-F128 HydrophobicContact CG-CD1 3.86Å; M99-F128 HydrophobicContact CG-CE1 4.11Å; M99-F128 HydrophobicContact SD-CD1 3.82Å; M99-F128 HydrophobicContact SD-CE1 3.56Å; M99-F128 VanDerWaalsContact SD-CE1 3.56Å; M99-F128 HydrophobicContact SD-CZ 4.18Å
100	A	98.4	Very high	97.7	Very high	12 Å²	12	36.2 Å²	36.2	10%	0.099	20%	0.201	C	C	.	.			trans	-86.3	137.9	166.9	0	0	0	0	0	109.6	Q62 Q110 F112	Q62-A100 HydrophobicContact CG-CB 4.34Å; A100-Q110 HydrophobicContact CB-CB 3.9Å; A100-Q110 PolarHBondContact N-O 3.45Å; A100-F112 HydrophobicContact CB-CD1 4.24Å
101	N	96.1	Very high	97.7	Very high	21 Å²	21	31.3 Å²	31.3	11%	0.112	18%	0.18	C	C	.	.			trans	-138.3	166.9	179.4	70	38.8	0	0	0	111.3	D83 G103 K124 Y125	D83-N101 PolarHBondContact OD1-ND2 2.84Å; N101-G103 PolarHBondContact OD1-N 3.41Å; N101-K124 PolarHBondContact ND2-O 3.31Å; N101-Y125 WeakPolarHBondContact OD1-CE1 3.33Å
102	N	92.9	Very high	97.7	Very high	147 Å²	147	31.7 Å²	31.7	79%	0.786	18%	0.181	S	C	*	.	S	Bend	trans	-111.7	36.4	175.5	-69.3	-38.9	0	0	0	110.9	T106	N102-T106 WeakPolarHBondContact CA-OG1 3.27Å; N102-T106 PolarHBondContact N-OG1 3.13Å
103	G	93.6	Very high	97.8	Very high	26 Å²	26	27.7 Å²	27.7	27%	0.268	16%	0.16	S	C	.	.	S	Bend	trans	117.8	175.2	-172.2	0	0	0	0	0	112.7	N101 N105 T106	N101-G103 PolarHBondContact OD1-N 3.41Å; G103-N105 PolarHBondContact O-N 2.89Å; G103-T106 PolarHBondContact N-OG1 2.79Å; G103-T106 PolarHBondContact O-N 3.11Å; G103-T106 PolarHBondContact O-OG1 2.94Å
104	P	96.4	Very high	97.9	Very high	106 Å²	106	25.3 Å²	25.3	69%	0.688	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	135.1	-173.1	-26.1	34.7	0	0	0	112.9	D83 T106	D83-P104 WeakPolarHBondContact OD2-CA 3.31Å; P104-T106 VanDerWaalsContact C-N 3.32Å; P104-T106 PolarHBondContact O-N 2.97Å
105	N	97.4	Very high	97.9	Very high	89 Å²	89	22.6 Å²	22.6	48%	0.476	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	36.9	176.2	-53.8	-51.5	0	0	0	114.3	F81 E82 D83 G103	F81-N105 CarbonylContact O-C 3.51Å; E82-N105 VanDerWaalsContact CA-OD1 3.27Å; E82-N105 WeakPolarHBondContact CA-OD1 3.35Å; E82-N105 HydrophobicContact CB-CB 4.48Å; E82-N105 WeakPolarHBondContact CB-OD1 3.33Å; D83-N105 PolarHBondContact N-OD1 2.95Å; D83-N105 PolarHBondContact OD2-N 2.96Å; G103-N105 PolarHBondContact O-N 2.89Å
106	T	98	Very high	97.9	Very high	35 Å²	35	24.5 Å²	24.5	22%	0.215	15%	0.151	C	C	.	.			trans	-117.2	28.4	179.8	65	0	0	0	0	114.2	K80 N102 G103 P104	K80-T106 WeakPolarHBondContact CD-O 3.41Å; N102-T106 WeakPolarHBondContact CA-OG1 3.27Å; N102-T106 PolarHBondContact N-OG1 3.13Å; G103-T106 PolarHBondContact N-OG1 2.79Å; G103-T106 PolarHBondContact O-N 3.11Å; G103-T106 PolarHBondContact O-OG1 2.94Å; P104-T106 VanDerWaalsContact C-N 3.32Å; P104-T106 PolarHBondContact O-N 2.97Å
107	N	98.6	Very high	97.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-65.9	145.3	179.7	-61.7	-56.7	0	0	0	111.5	K80 F81 E82 D83 M99	K80-N107 VanDerWaalsContact CA-O 3.28Å; K80-N107 WeakPolarHBondContact CA-O 3.29Å; K80-N107 WeakPolarHBondContact CD-O 3.38Å; F81-N107 HydrophobicContact CD1-CB 3.74Å; F81-N107 VanDerWaalsContact CD1-O 3.26Å; F81-N107 WeakPolarHBondContact CD1-O 3.32Å; F81-N107 HydrophobicContact CD2-CB 3.88Å; F81-N107 HydrophobicContact CE1-CB 3.45Å; F81-N107 VanDerWaalsContact CE1-CB 3.45Å; F81-N107 HydrophobicContact CE2-CB 3.59Å; F81-N107 HydrophobicContact CG-CB 3.97Å; F81-N107 HydrophobicContact CZ-CB 3.38Å; F81-N107 PolarHBondContact N-O 2.81Å; F81-N107 VanDerWaalsContact N-O 3.11Å; F81-N107 PolarHBondContact O-N 2.86Å; F81-N107 VanDerWaalsContact O-N 3.09Å; F81-N107 PolarHBondContact O-ND2 2.87Å; E82-N107 PolarHBondContact O-ND2 2.91Å; D83-N107 PolarHBondContact OD1-ND2 2.85Å; M99-N107 HydrophobicContact CB-CB 4.42Å; M99-N107 WeakPolarHBondContact CB-OD1 3.33Å; M99-N107 HydrophobicContact CE-CB 4.31Å
108	G	98.6	Very high	97.8	Very high	2 Å²	2	32.1 Å²	32.1	2%	0.021	18%	0.184	C	C	.	.			trans	-140.9	-126.6	-178.1	0	0	0	0	0	111.2	N37 F81 M99	N37-G108 PolarHBondContact ND2-O 2.94Å; F81-G108 WeakPolarHBondContact CE1-O 3.3Å; M99-G108 WeakPolarHBondContact CE-O 3.21Å
109	S	98.7	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-98.7	-18.9	174.1	60.3	0	0	0	0	114.1	L41 Y47 G64 G73 T74	L41-S109 VanDerWaalsContact CD1-CB 3.48Å; Y47-S109 WeakPolarHBondContact CE1-O 3.44Å; Y47-S109 PolarHBondContact OH-O 2.92Å; G64-S109 CarbonylContact O-C 3.12Å; G64-S109 WeakPolarHBondContact O-CB 3.35Å; G64-S109 PolarHBondContact O-OG 3.15Å; G73-S109 WeakPolarHBondContact CA-OG 3.2Å; T74-S109 PolarHBondContact N-OG 3.16Å; T74-S109 WeakPolarHBondContact O-CB 3.44Å
110	Q	98.9	Very high	97.7	Very high	19 Å²	19	40.9 Å²	40.9	9%	0.089	23%	0.232	C	C	.	.			trans	-74.7	140	-174.9	-66.4	-168.2	45.7	0	0	111.4	H53 T63 D65 G70 G72 M99 A100	H53-Q110 PolarHBondContact CE1-OE1 3.47Å; H53-Q110 VanDerWaalsContact CE1-OE1 3.28Å; H53-Q110 PolarHBondContact NE2-OE1 2.95Å; T63-Q110 VanDerWaalsContact O-CA 3.3Å; T63-Q110 WeakPolarHBondContact O-CA 3.49Å; T63-Q110 WeakPolarHBondContact O-CB 3.35Å; D65-Q110 HydrophobicContact CB-CG 3.93Å; G70-Q110 PolarHBondContact O-NE2 3.5Å; G70-Q110 VanDerWaalsContact O-NE2 3.08Å; G72-Q110 PolarHBondContact O-NE2 3.32Å; M99-Q110 WeakPolarHBondContact CE-O 3.45Å; A100-Q110 HydrophobicContact CB-CB 3.9Å; A100-Q110 PolarHBondContact N-O 3.45Å
111	F	98.9	Very high	97.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	166.6	178.1	65.6	-83.8	0	0	0	110.1	L15 F38 Y47 Q62 T63 V97 S98 F113 F128 I159	L15-F111 HydrophobicContact CD1-CE2 4.21Å; L15-F111 HydrophobicContact CD1-CZ 4.02Å; F38-F111 HydrophobicContact CD2-CD1 4.39Å; F38-F111 HydrophobicContact CD2-CE1 4.41Å; F38-F111 HydrophobicContact CE2-CD1 4.06Å; F38-F111 AromaticContact CE2-CE1 3.72Å; F38-F111 HydrophobicContact CE2-CE1 3.72Å; F38-F111 HydrophobicContact CE2-CE2 4.26Å; F38-F111 HydrophobicContact CE2-CG 4.49Å; F38-F111 AromaticContact CE2-CZ 3.82Å; F38-F111 HydrophobicContact CE2-CZ 3.82Å; F38-F111 HydrophobicContact CZ-CZ 4.47Å; Y47-F111 HydrophobicContact CD1-CE1 4.07Å; Y47-F111 HydrophobicContact CE1-CD1 4.13Å; Y47-F111 AromaticContact CE1-CE1 3.7Å; Y47-F111 HydrophobicContact CE1-CE1 3.7Å; Y47-F111 HydrophobicContact CE2-CE1 4.39Å; Y47-F111 AromaticContact CZ-CE1 3.86Å; Q62-F111 WeakPolarHBondContact CA-O 3.29Å; T63-F111 HydrophobicContact CG2-CD1 4.31Å; T63-F111 HydrophobicContact CG2-CD2 4.23Å; T63-F111 HydrophobicContact CG2-CE1 3.72Å; T63-F111 HydrophobicContact CG2-CE2 3.65Å; T63-F111 HydrophobicContact CG2-CZ 3.36Å; T63-F111 PolarHBondContact N-O 2.93Å; T63-F111 PolarHBondContact O-N 3.31Å; T63-F111 VanDerWaalsContact O-N 3.12Å; V97-F111 HydrophobicContact CG1-CD2 3.84Å; V97-F111 HydrophobicContact CG1-CE2 4.47Å; S98-F111 CarbonylContact O-C 3.57Å; S98-F111 WeakPolarHBondContact O-CA 3.29Å; S98-F111 WeakPolarHBondContact O-CB 3.13Å; F111-F113 HydrophobicContact CD2-CE2 4.26Å; F111-F113 HydrophobicContact CD2-CZ 4.31Å; F111-F113 HydrophobicContact CE2-CE1 4.44Å; F111-F113 AromaticContact CE2-CE2 3.62Å; F111-F113 HydrophobicContact CE2-CE2 3.62Å; F111-F113 AromaticContact CE2-CZ 3.57Å; F111-F113 HydrophobicContact CE2-CZ 3.57Å; F111-F128 HydrophobicContact CB-CE1 3.94Å; F111-F128 HydrophobicContact CB-CZ 4.08Å; F111-F128 HydrophobicContact CG-CZ 4.33Å; F111-I159 HydrophobicContact CZ-CD1 4.18Å
112	F	98.9	Very high	97.8	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.035	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157.7	178.6	64.9	-92.3	0	0	0	112.5	M60 V61 Q62 H91 V97 S98 M99 A100 T114 L121 Y125	M60-F112 HydrophobicContact CB-CD2 3.91Å; M60-F112 HydrophobicContact CG-CD2 4.38Å; M60-F112 HydrophobicContact SD-CB 4.06Å; M60-F112 HydrophobicContact SD-CG 4.48Å; V61-F112 CarbonylContact O-C 3.57Å; V61-F112 WeakPolarHBondContact O-CA 3.34Å; V61-F112 VanDerWaalsContact O-CB 3.26Å; V61-F112 WeakPolarHBondContact O-CB 3.22Å; Q62-F112 HydrophobicContact CB-CB 4.02Å; Q62-F112 HydrophobicContact CG-CB 4.27Å; H91-F112 AromaticContact NE2-CZ 3.96Å; V97-F112 WeakPolarHBondContact CA-O 3.12Å; S98-F112 VanDerWaalsContact CB-CZ 3.47Å; S98-F112 PolarHBondContact N-O 2.76Å; S98-F112 WeakPolarHBondContact O-CD1 3.41Å; S98-F112 PolarHBondContact O-N 3.45Å; M99-F112 WeakPolarHBondContact O-CE1 3.24Å; A100-F112 HydrophobicContact CB-CD1 4.24Å; F112-T114 HydrophobicContact CD2-CG2 4.24Å; F112-T114 HydrophobicContact CE2-CG2 3.88Å; F112-L121 HydrophobicContact CE2-CD1 3.88Å; F112-L121 HydrophobicContact CZ-CD1 3.98Å; F112-Y125 AromaticContact CE1-CD1 3.95Å; F112-Y125 HydrophobicContact CE1-CD1 3.95Å; F112-Y125 HydrophobicContact CE1-CG 4.03Å; F112-Y125 HydrophobicContact CZ-CD1 4.45Å; F112-Y125 HydrophobicContact CZ-CG 4.08Å
113	F	98.8	Very high	98	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.7	169.4	-56.8	-84.1	0	0	0	109.4	L15 I22 I24 F52 M60 V61 T63 V96 V97 F111 I131 L138	L15-F113 HydrophobicContact CD1-CE2 4.42Å; L15-F113 HydrophobicContact CD1-CZ 3.75Å; I22-F113 HydrophobicContact CG2-CE1 4.04Å; I22-F113 HydrophobicContact CG2-CZ 4.32Å; I24-F113 HydrophobicContact CD1-CE1 3.64Å; I24-F113 HydrophobicContact CD1-CZ 3.84Å; I24-F113 HydrophobicContact CG1-CE1 4.14Å; F52-F113 HydrophobicContact CE1-CD2 4.42Å; F52-F113 HydrophobicContact CE1-CE2 4.02Å; M60-F113 CarbonylContact C-O 3.56Å; M60-F113 WeakPolarHBondContact CA-O 3.49Å; M60-F113 WeakPolarHBondContact CB-O 3.24Å; V61-F113 HydrophobicContact CG1-CB 3.98Å; V61-F113 HydrophobicContact CG1-CD2 4.08Å; V61-F113 HydrophobicContact CG1-CG 4.5Å; V61-F113 PolarHBondContact N-O 2.71Å; V61-F113 PolarHBondContact O-N 3.48Å; T63-F113 HydrophobicContact CG2-CE2 4.47Å; V96-F113 WeakPolarHBondContact O-CA 3.48Å; V97-F113 HydrophobicContact CG1-CD1 4.41Å; V97-F113 HydrophobicContact CG1-CE1 4.19Å; V97-F113 HydrophobicContact CG2-CD1 3.69Å; V97-F113 HydrophobicContact CG2-CE1 3.68Å; F111-F113 HydrophobicContact CD2-CE2 4.26Å; F111-F113 HydrophobicContact CD2-CZ 4.31Å; F111-F113 HydrophobicContact CE2-CE1 4.44Å; F111-F113 AromaticContact CE2-CE2 3.62Å; F111-F113 HydrophobicContact CE2-CE2 3.62Å; F111-F113 AromaticContact CE2-CZ 3.57Å; F111-F113 HydrophobicContact CE2-CZ 3.57Å; F113-I131 HydrophobicContact CD1-CD1 3.45Å; F113-I131 VanDerWaalsContact CD1-CD1 3.45Å; F113-I131 HydrophobicContact CD1-CG1 3.86Å; F113-I131 HydrophobicContact CE1-CD1 3.87Å; F113-I131 HydrophobicContact CE1-CG1 3.97Å; F113-I131 HydrophobicContact CG-CD1 4.24Å; F113-L138 HydrophobicContact CB-CD1 3.7Å; F113-L138 HydrophobicContact CG-CD1 4.18Å
114	T	98.9	Very high	98.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	139.1	172.6	52.1	0	0	0	0	111.9	V93 G95 V96 F112 Q118	V93-T114 PolarHBondContact O-OG1 2.97Å; G95-T114 PolarHBondContact N-O 2.97Å; V96-T114 HydrophobicContact CB-CG2 4.48Å; V96-T114 WeakPolarHBondContact CB-OG1 3.19Å; V96-T114 PolarHBondContact N-OG1 2.68Å; V96-T114 PolarHBondContact O-N 2.81Å; V96-T114 PolarHBondContact O-OG1 2.78Å; F112-T114 HydrophobicContact CD2-CG2 4.24Å; F112-T114 HydrophobicContact CE2-CG2 3.88Å; T114-Q118 HydrophobicContact CG2-CG 4.12Å
115	Y	98.8	Very high	98.3	Very high	5 Å²	5	42 Å²	42	2%	0.02	21%	0.212	C	C	.	.	S	Bend	trans	-88.7	-21.8	174.1	-68.8	-46.7	0	0	0	113.2	N55 I56 F59 V61 R94 L138 L141 E142	N55-Y115 VanDerWaalsContact OD1-CE2 3.28Å; N55-Y115 WeakPolarHBondContact OD1-CE2 3.43Å; N55-Y115 PolarHBondContact OD1-OH 2.93Å; I56-Y115 WeakPolarHBondContact O-CD2 3.47Å; F59-Y115 PolarHBondContact O-N 2.82Å; V61-Y115 HydrophobicContact CB-CE1 4.45Å; V61-Y115 HydrophobicContact CB-CE2 3.9Å; V61-Y115 WeakPolarHBondContact CB-OH 3.44Å; V61-Y115 HydrophobicContact CG1-CE1 3.84Å; V61-Y115 HydrophobicContact CG1-CE2 4.15Å; V61-Y115 VanDerWaalsContact CG1-CZ 3.46Å; V61-Y115 WeakPolarHBondContact CG1-OH 3.14Å; R94-Y115 WeakPolarHBondContact CB-O 2.81Å; R94-Y115 VanDerWaalsContact CG-O 3.28Å; R94-Y115 WeakPolarHBondContact CG-O 3.37Å; R94-Y115 VanDerWaalsContact NH1-C 3.35Å; R94-Y115 VanDerWaalsContact NH1-CB 3.29Å; R94-Y115 PolarHBondContact NH1-O 2.72Å; Y115-L138 HydrophobicContact CD1-CD1 3.88Å; Y115-L138 HydrophobicContact CD1-CD2 4.1Å; Y115-L138 HydrophobicContact CD1-CG 3.72Å; Y115-L138 HydrophobicContact CE1-CD1 3.41Å; Y115-L138 VanDerWaalsContact CE1-CD1 3.41Å; Y115-L138 HydrophobicContact CE1-CD2 4.42Å; Y115-L138 HydrophobicContact CE1-CG 3.58Å; Y115-L138 WeakPolarHBondContact CE1-O 3.34Å; Y115-L141 VanDerWaalsContact OH-C 3.28Å; Y115-L141 WeakPolarHBondContact OH-CB 3.43Å; Y115-E142 HydrophobicContact CD1-CB 3.98Å; Y115-E142 HydrophobicContact CD1-CG 4.22Å; Y115-E142 HydrophobicContact CD2-CB 4.37Å; Y115-E142 HydrophobicContact CD2-CG 3.97Å; Y115-E142 HydrophobicContact CE1-CB 3.61Å; Y115-E142 HydrophobicContact CE1-CG 4.23Å; Y115-E142 HydrophobicContact CE2-CB 4.04Å; Y115-E142 HydrophobicContact CE2-CG 3.98Å; Y115-E142 HydrophobicContact CG-CB 4.34Å; Y115-E142 HydrophobicContact CG-CG 4.08Å; Y115-E142 WeakPolarHBondContact OH-CA 3.29Å; Y115-E142 PolarHBondContact OH-N 3.02Å; Y115-E142 VanDerWaalsContact OH-N 3.13Å
116	A	98.3	Very high	98.3	Very high	39 Å²	39	37.8 Å²	37.8	32%	0.322	19%	0.19	S	C	.	.	S	Bend	trans	-151.9	-178	-179.4	0	0	0	0	0	109.9	Q118	A116-Q118 WeakPolarHBondContact O-CG 3.39Å; A116-Q118 PolarHBondContact O-N 3.48Å
117	K	98.3	Very high	98.4	Very high	144 Å²	144	36.5 Å²	36.5	63%	0.626	18%	0.181	S	C	*	.			trans	-62.4	128.7	173.9	-46.7	-164.6	177	-179.6	0	110.1	H91 N92	H91-K117 CarbonylContact O-C 3.45Å; H91-K117 VanDerWaalsContact O-CA 3.31Å; H91-K117 WeakPolarHBondContact O-CA 3.47Å; N92-K117 WeakPolarHBondContact O-CD 3.45Å; N92-K117 WeakPolarHBondContact O-CE 3.42Å; N92-K117 WeakPolarHBondContact O-CG 3.39Å
118	Q	98.6	Very high	98.4	Very high	21 Å²	21	36.5 Å²	36.5	10%	0.098	18%	0.181	C	C	.	.			trans	-130.7	61.4	179.1	-56.1	-52.9	-25.5	0	0	112.1	G58 F59 H91 T114 A116 H120 L121	G58-Q118 PolarHBondContact O-NE2 3.25Å; F59-Q118 VanDerWaalsContact CD2-CD 3.44Å; F59-Q118 HydrophobicContact CD2-CG 3.86Å; F59-Q118 HydrophobicContact CE2-CB 4.45Å; F59-Q118 HydrophobicContact CE2-CG 3.99Å; H91-Q118 HydrophobicContact CB-CB 4.01Å; H91-Q118 WeakPolarHBondContact CB-O 3.4Å; H91-Q118 PolarHBondContact O-N 2.93Å; T114-Q118 HydrophobicContact CG2-CG 4.12Å; A116-Q118 WeakPolarHBondContact O-CG 3.39Å; A116-Q118 PolarHBondContact O-N 3.48Å; Q118-H120 PolarHBondContact O-N 3.27Å; Q118-H120 PolarHBondContact OE1-CE1 3.42Å; Q118-L121 HydrophobicContact CB-CB 4.46Å; Q118-L121 HydrophobicContact CB-CD1 3.54Å; Q118-L121 HydrophobicContact CB-CG 3.81Å; Q118-L121 HydrophobicContact CG-CD1 4.11Å; Q118-L121 WeakPolarHBondContact O-CB 3.44Å; Q118-L121 PolarHBondContact O-N 2.96Å
119	P	97.7	Very high	98.3	Very high	87 Å²	87	36.4 Å²	36.4	57%	0.565	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-59.7	-19.9	-174.3	25.3	-35.7	0	0	0	114	L121 D122	P119-L121 PolarHBondContact O-N 2.79Å; P119-D122 WeakPolarHBondContact O-CB 3.24Å; P119-D122 PolarHBondContact O-N 2.78Å
120	H	97.8	Very high	98.3	Very high	97 Å²	97	40.2 Å²	40.2	45%	0.449	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-71.2	-10.6	176.2	69.3	-93.9	0	0	0	114	F59 Q118 K124	F59-H120 AromaticContact CE2-CE1 3.62Å; F59-H120 AromaticContact CE2-NE2 3.46Å; F59-H120 WeakPolarHBondContact CE2-NE2 3.44Å; F59-H120 AromaticContact CZ-NE2 3.93Å; Q118-H120 PolarHBondContact O-N 3.27Å; Q118-H120 PolarHBondContact OE1-CE1 3.42Å; H120-K124 WeakPolarHBondContact O-CD 3.49Å; H120-K124 WeakPolarHBondContact O-CE 3.43Å; H120-K124 PolarHBondContact O-NZ 2.89Å
121	L	98	Very high	98.3	Very high	9 Å²	9	39.7 Å²	39.7	5%	0.047	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-91.7	-14.5	174.1	-56.5	-177.2	0	0	0	112.7	F59 H91 F112 Q118 P119 K124 Y125	F59-L121 HydrophobicContact CE2-CD1 3.92Å; F59-L121 HydrophobicContact CE2-CD2 4.28Å; F59-L121 HydrophobicContact CE2-CG 4.37Å; F59-L121 HydrophobicContact CZ-CD1 4.2Å; F59-L121 HydrophobicContact CZ-CD2 4.12Å; H91-L121 PolarHBondContact CE1-O 3.5Å; F112-L121 HydrophobicContact CE2-CD1 3.88Å; F112-L121 HydrophobicContact CZ-CD1 3.98Å; Q118-L121 HydrophobicContact CB-CB 4.46Å; Q118-L121 HydrophobicContact CB-CD1 3.54Å; Q118-L121 HydrophobicContact CB-CG 3.81Å; Q118-L121 HydrophobicContact CG-CD1 4.11Å; Q118-L121 WeakPolarHBondContact O-CB 3.44Å; Q118-L121 PolarHBondContact O-N 2.96Å; P119-L121 PolarHBondContact O-N 2.79Å; L121-K124 WeakPolarHBondContact O-CB 3.48Å; L121-K124 PolarHBondContact O-N 2.93Å; L121-K124 VanDerWaalsContact O-N 3.13Å; L121-Y125 HydrophobicContact CB-CD2 3.9Å; L121-Y125 HydrophobicContact CD2-CD2 3.79Å; L121-Y125 HydrophobicContact CD2-CE2 3.57Å; L121-Y125 HydrophobicContact CG-CD2 4.34Å; L121-Y125 PolarHBondContact O-N 3.09Å
122	D	97.6	Very high	98.2	Very high	37 Å²	37	43.7 Å²	43.7	20%	0.198	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	140.1	178.6	-65.9	-13.2	0	0	0	110.3	H91 P119 K124	H91-D122 IonicContact CE1-OD1 2.84Å; H91-D122 IonicContact CG-OD1 3.46Å; H91-D122 PolarHBondContact N-OD1 3.12Å; H91-D122 IonicContact ND1-OD1 3.56Å; H91-D122 PolarHBondContact ND1-OD1 3.1Å; P119-D122 WeakPolarHBondContact O-CB 3.24Å; P119-D122 PolarHBondContact O-N 2.78Å; D122-K124 PolarHBondContact O-N 2.64Å; D122-K124 VanDerWaalsContact O-N 3.09Å
123	M	96.8	Very high	98.1	Very high	105 Å²	105	48 Å²	48	52%	0.517	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	18.4	-177.1	-48.9	-60	-68.2	0	0	114.6	F85	F85-M123 HydrophobicContact CB-CE 3.42Å; F85-M123 VanDerWaalsContact CB-CE 3.42Å; F85-M123 HydrophobicContact CB-SD 3.75Å; F85-M123 HydrophobicContact CD2-CE 4.19Å; F85-M123 WeakPolarHBondContact CE2-O 3.31Å; F85-M123 HydrophobicContact CG-CE 4.08Å; F85-M123 HydrophobicContact CG-SD 4.39Å; F85-M123 VanDerWaalsContact CZ-O 3.29Å; F85-M123 WeakPolarHBondContact CZ-O 3.11Å
124	K	97.6	Very high	98.1	Very high	118 Å²	118	48.2 Å²	48.2	51%	0.513	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123	-28.7	173.6	-62.7	179.6	-171.8	162.4	0	113	N101 H120 L121 D122	N101-K124 PolarHBondContact ND2-O 3.31Å; H120-K124 WeakPolarHBondContact O-CD 3.49Å; H120-K124 WeakPolarHBondContact O-CE 3.43Å; H120-K124 PolarHBondContact O-NZ 2.89Å; L121-K124 WeakPolarHBondContact O-CB 3.48Å; L121-K124 PolarHBondContact O-N 2.93Å; L121-K124 VanDerWaalsContact O-N 3.13Å; D122-K124 PolarHBondContact O-N 2.64Å; D122-K124 VanDerWaalsContact O-N 3.09Å
125	Y	98.6	Very high	98.1	Very high	68 Å²	68	51.7 Å²	51.7	27%	0.267	26%	0.259	S	S	.	.	S	Bend	trans	-127.9	132.4	178.1	-62	-82.8	0	0	0	109.1	M99 N101 F112 L121 V127	M99-Y125 VanDerWaalsContact O-CD1 3.3Å; M99-Y125 WeakPolarHBondContact O-CD1 3.22Å; N101-Y125 WeakPolarHBondContact OD1-CE1 3.33Å; F112-Y125 AromaticContact CE1-CD1 3.95Å; F112-Y125 HydrophobicContact CE1-CD1 3.95Å; F112-Y125 HydrophobicContact CE1-CG 4.03Å; F112-Y125 HydrophobicContact CZ-CD1 4.45Å; F112-Y125 HydrophobicContact CZ-CG 4.08Å; L121-Y125 HydrophobicContact CB-CD2 3.9Å; L121-Y125 HydrophobicContact CD2-CD2 3.79Å; L121-Y125 HydrophobicContact CD2-CE2 3.57Å; L121-Y125 HydrophobicContact CG-CD2 4.34Å; L121-Y125 PolarHBondContact O-N 3.09Å; Y125-V127 PolarHBondContact O-N 3.42Å
126	T	98.7	Very high	98	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.			trans	-66.6	114.6	177.7	-58.4	0	0	0	0	110	A31 S34 D83 E84 S98 M99 F128	A31-T126 HydrophobicContact CB-CG2 3.9Å; S34-T126 VanDerWaalsContact OG-CG2 3.24Å; S34-T126 WeakPolarHBondContact OG-CG2 3.42Å; D83-T126 WeakPolarHBondContact CA-OG1 3.27Å; E84-T126 HydrophobicContact CB-CG2 3.84Å; E84-T126 PolarHBondContact N-OG1 3.4Å; E84-T126 WeakPolarHBondContact O-CG2 3.39Å; S98-T126 CarbonylContact C-O 3.45Å; S98-T126 WeakPolarHBondContact CA-O 3.31Å; S98-T126 VanDerWaalsContact CB-O 3.29Å; S98-T126 WeakPolarHBondContact CB-O 3.28Å; M99-T126 PolarHBondContact N-O 2.75Å; T126-F128 HydrophobicContact CG2-CB 4.48Å
127	V	98.8	Very high	98.1	Very high	7 Å²	7	55.3 Å²	55.3	4%	0.042	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	119.7	167.4	177.4	0	0	0	0	107.7	F27 L89 H91 V96 S98 Y125	F27-V127 HydrophobicContact CD2-CG1 4.24Å; F27-V127 HydrophobicContact CE2-CG1 4.16Å; L89-V127 HydrophobicContact CB-CB 3.82Å; L89-V127 HydrophobicContact CB-CG1 3.9Å; L89-V127 HydrophobicContact CB-CG2 4.47Å; L89-V127 HydrophobicContact CD1-CB 4.42Å; L89-V127 HydrophobicContact CD1-CG1 4.37Å; L89-V127 VanDerWaalsContact CD1-O 3.31Å; L89-V127 WeakPolarHBondContact CD1-O 3.35Å; H91-V127 VanDerWaalsContact CE1-CG2 3.47Å; H91-V127 WeakPolarHBondContact CE1-CG2 3.49Å; V96-V127 HydrophobicContact CG1-CB 4.34Å; V96-V127 HydrophobicContact CG1-CG1 3.54Å; V96-V127 HydrophobicContact CG1-CG2 3.91Å; S98-V127 WeakPolarHBondContact OG-CG2 3.3Å; Y125-V127 PolarHBondContact O-N 3.42Å
128	F	98.5	Very high	98.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	-2.3	-177.7	74.9	-86.6	0	0	0	113.5	L26 F27 A31 C35 F38 V97 M99 F111 T126	L26-F128 WeakPolarHBondContact CA-O 3.42Å; L26-F128 HydrophobicContact CD2-CD2 3.96Å; L26-F128 HydrophobicContact CD2-CE2 3.95Å; F27-F128 PolarHBondContact N-O 3.25Å; A31-F128 HydrophobicContact CB-CB 3.8Å; C35-F128 PolarHBondContact SG-O 3.23Å; F38-F128 HydrophobicContact CB-CD2 4.43Å; F38-F128 HydrophobicContact CB-CE2 3.87Å; F38-F128 AromaticContact CD1-CE2 3.89Å; F38-F128 HydrophobicContact CD1-CE2 3.89Å; F38-F128 AromaticContact CD2-CE2 3.8Å; F38-F128 HydrophobicContact CD2-CE2 3.8Å; F38-F128 AromaticContact CD2-CZ 3.86Å; F38-F128 HydrophobicContact CD2-CZ 3.86Å; F38-F128 HydrophobicContact CE1-CE2 4.36Å; F38-F128 HydrophobicContact CE2-CE2 4.29Å; F38-F128 HydrophobicContact CE2-CZ 4.23Å; F38-F128 AromaticContact CG-CE2 3.57Å; F38-F128 HydrophobicContact CG-CE2 3.57Å; F38-F128 HydrophobicContact CG-CZ 4.12Å; V97-F128 HydrophobicContact CG1-CE1 3.75Å; V97-F128 HydrophobicContact CG1-CE2 4.24Å; V97-F128 HydrophobicContact CG1-CZ 3.55Å; V97-F128 PolarHBondContact O-N 3.4Å; V97-F128 VanDerWaalsContact O-N 3.16Å; M99-F128 HydrophobicContact CG-CD1 3.86Å; M99-F128 HydrophobicContact CG-CE1 4.11Å; M99-F128 HydrophobicContact SD-CD1 3.82Å; M99-F128 HydrophobicContact SD-CE1 3.56Å; M99-F128 VanDerWaalsContact SD-CE1 3.56Å; M99-F128 HydrophobicContact SD-CZ 4.18Å; F111-F128 HydrophobicContact CB-CE1 3.94Å; F111-F128 HydrophobicContact CB-CZ 4.08Å; F111-F128 HydrophobicContact CG-CZ 4.33Å; T126-F128 HydrophobicContact CG2-CB 4.48Å
129	G	98.1	Very high	98.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171	-179	175.3	0	0	0	0	0	113.9	E25 V97	E25-G129 CarbonylContact O-C 3.51Å; E25-G129 WeakPolarHBondContact O-CA 3.18Å; V97-G129 PolarHBondContact N-O 2.87Å; V97-G129 PolarHBondContact O-N 2.64Å
130	K	98.3	Very high	98.1	Very high	81 Å²	81	50.3 Å²	50.3	35%	0.352	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	143.1	178.5	-174.2	-176.2	170.2	-169.6	0	110.7	I24 E25 F27 G95 I132	I24-K130 CarbonylContact C-O 3.52Å; I24-K130 WeakPolarHBondContact CA-O 3.39Å; E25-K130 PolarHBondContact N-O 3.38Å; E25-K130 PolarHBondContact O-N 2.83Å; F27-K130 HydrophobicContact CE2-CB 4.16Å; F27-K130 HydrophobicContact CZ-CB 3.65Å; G95-K130 WeakPolarHBondContact O-CA 3.35Å; K130-I132 PolarHBondContact O-N 2.92Å
131	I	98.4	Very high	98.2	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.041	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	126.4	170.9	-64	173.9	0	0	0	109.4	I22 K23 I24 G95 V97 F113 D133 L135 L138	I22-I131 HydrophobicContact CG2-CD1 3.62Å; I22-I131 HydrophobicContact CG2-CG1 3.6Å; I22-I131 HydrophobicContact CG2-CG2 4.2Å; K23-I131 CarbonylContact O-C 3.59Å; K23-I131 VanDerWaalsContact O-CA 3.32Å; K23-I131 WeakPolarHBondContact O-CA 3.49Å; I24-I131 HydrophobicContact CG1-CG1 4.49Å; G95-I131 PolarHBondContact O-N 2.83Å; V97-I131 HydrophobicContact CG2-CG1 4.39Å; F113-I131 HydrophobicContact CD1-CD1 3.45Å; F113-I131 VanDerWaalsContact CD1-CD1 3.45Å; F113-I131 HydrophobicContact CD1-CG1 3.86Å; F113-I131 HydrophobicContact CE1-CD1 3.87Å; F113-I131 HydrophobicContact CE1-CG1 3.97Å; F113-I131 HydrophobicContact CG-CD1 4.24Å; I131-D133 VanDerWaalsContact CG2-O 3.27Å; I131-D133 WeakPolarHBondContact CG2-O 3.22Å; I131-L135 HydrophobicContact CB-CD2 4.19Å; I131-L135 HydrophobicContact CG2-CD2 3.83Å; I131-L135 HydrophobicContact CG2-CG 4.15Å; I131-L138 HydrophobicContact CD1-CB 4.42Å; I131-L138 HydrophobicContact CD1-CD1 4.23Å; I131-L138 HydrophobicContact CD1-CD2 3.85Å; I131-L138 HydrophobicContact CD1-CG 4.39Å
132	I	97	Very high	98.2	Very high	84 Å²	84	46.9 Å²	46.9	43%	0.431	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-16.5	175.9	56.3	165.5	0	0	0	112.9	K23 E25 K130	K23-I132 HydrophobicContact CB-CG1 4.13Å; K23-I132 HydrophobicContact CD-CD1 3.9Å; K23-I132 HydrophobicContact CD-CG1 4.16Å; K23-I132 HydrophobicContact CG-CD1 3.96Å; K23-I132 HydrophobicContact CG-CG1 3.89Å; K23-I132 PolarHBondContact O-N 3.08Å; E25-I132 HydrophobicContact CB-CD1 4.19Å; E25-I132 HydrophobicContact CB-CG1 4.4Å; E25-I132 HydrophobicContact CB-CG2 3.61Å; K130-I132 PolarHBondContact O-N 2.92Å
133	D	97.8	Very high	98.2	Very high	99 Å²	99	51.1 Å²	51.1	53%	0.529	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	150.4	173.3	-164.5	11.5	0	0	0	110.4	K23 I131	K23-D133 HydrophobicContact CB-CB 3.76Å; K23-D133 HydrophobicContact CD-CB 4.42Å; K23-D133 PolarHBondContact N-O 3.18Å; K23-D133 PolarHBondContact O-N 3.12Å; I131-D133 VanDerWaalsContact CG2-O 3.27Å; I131-D133 WeakPolarHBondContact CG2-O 3.22Å
134	G	97.8	Very high	98.3	Very high	3 Å²	3	47.7 Å²	47.7	3%	0.031	23%	0.227	C	C	.	.			trans	87.5	32.2	-178.2	0	0	0	0	0	115.3	D21 E136 T137 L138	D21-G134 WeakPolarHBondContact O-CA 3.39Å; G134-E136 PolarHBondContact O-N 3.35Å; G134-T137 WeakPolarHBondContact O-CB 2.86Å; G134-T137 PolarHBondContact O-N 2.75Å; G134-L138 PolarHBondContact O-N 3Å
135	L	98.3	Very high	98.3	Very high	74 Å²	74	45.9 Å²	45.9	39%	0.387	23%	0.228	S	C	.	.	H	α-helix	trans	-66	-27.3	174.4	-74.9	177.1	0	0	0	112.2	R94 I131 T137 L138 D139	R94-L135 HydrophobicContact CG-CD2 4.37Å; I131-L135 HydrophobicContact CB-CD2 4.19Å; I131-L135 HydrophobicContact CG2-CD2 3.83Å; I131-L135 HydrophobicContact CG2-CG 4.15Å; L135-T137 VanDerWaalsContact C-N 3.34Å; L135-L138 HydrophobicContact CD2-CD2 4.12Å; L135-L138 CarbonylContact O-C 3.58Å; L135-L138 WeakPolarHBondContact O-CA 3.07Å; L135-L138 WeakPolarHBondContact O-CB 3.49Å; L135-L138 PolarHBondContact O-N 2.65Å; L135-D139 VanDerWaalsContact O-CG 3.31Å; L135-D139 PolarHBondContact O-N 2.81Å
136	E	98.3	Very high	98.3	Very high	115 Å²	115	44.7 Å²	44.7	54%	0.537	23%	0.227	S	C	.	.	H	α-helix	trans	-64	-37.7	171.8	66.9	-75.8	-178.7	0	0	112	G134 L138 D139 E140	G134-E136 PolarHBondContact O-N 3.35Å; E136-L138 VanDerWaalsContact C-N 3.28Å; E136-L138 PolarHBondContact O-N 3.27Å; E136-D139 WeakPolarHBondContact O-CB 3.28Å; E136-D139 PolarHBondContact O-N 3.29Å; E136-D139 VanDerWaalsContact O-N 3.16Å; E136-E140 PolarHBondContact O-N 2.9Å
137	T	98.6	Very high	98.3	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-40	171.7	-54.7	0	0	0	0	110.5	L19 G20 D21 I22 G134 L135 D139 E140 L141	L19-T137 HydrophobicContact CB-CG2 4.12Å; G20-T137 WeakPolarHBondContact CA-OG1 3.1Å; D21-T137 PolarHBondContact N-OG1 3.17Å; D21-T137 WeakPolarHBondContact O-CB 3.31Å; D21-T137 PolarHBondContact O-OG1 3.05Å; I22-T137 HydrophobicContact CD1-CG2 3.94Å; I22-T137 HydrophobicContact CG1-CG2 3.69Å; G134-T137 WeakPolarHBondContact O-CB 2.86Å; G134-T137 PolarHBondContact O-N 2.75Å; L135-T137 VanDerWaalsContact C-N 3.34Å; T137-D139 VanDerWaalsContact C-N 3.32Å; T137-D139 PolarHBondContact O-N 3.4Å; T137-E140 PolarHBondContact O-N 2.85Å; T137-L141 PolarHBondContact O-N 3.45Å
138	L	98.5	Very high	98.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-36.7	174.9	-170.8	70	0	0	0	111.7	V61 R94 F113 Y115 I131 G134 L135 E136 L141 E142	V61-L138 HydrophobicContact CG1-CD1 4Å; R94-L138 HydrophobicContact CG-CD2 3.87Å; F113-L138 HydrophobicContact CB-CD1 3.7Å; F113-L138 HydrophobicContact CG-CD1 4.18Å; Y115-L138 HydrophobicContact CD1-CD1 3.88Å; Y115-L138 HydrophobicContact CD1-CD2 4.1Å; Y115-L138 HydrophobicContact CD1-CG 3.72Å; Y115-L138 HydrophobicContact CE1-CD1 3.41Å; Y115-L138 VanDerWaalsContact CE1-CD1 3.41Å; Y115-L138 HydrophobicContact CE1-CD2 4.42Å; Y115-L138 HydrophobicContact CE1-CG 3.58Å; Y115-L138 WeakPolarHBondContact CE1-O 3.34Å; I131-L138 HydrophobicContact CD1-CB 4.42Å; I131-L138 HydrophobicContact CD1-CD1 4.23Å; I131-L138 HydrophobicContact CD1-CD2 3.85Å; I131-L138 HydrophobicContact CD1-CG 4.39Å; G134-L138 PolarHBondContact O-N 3Å; L135-L138 HydrophobicContact CD2-CD2 4.12Å; L135-L138 CarbonylContact O-C 3.58Å; L135-L138 WeakPolarHBondContact O-CA 3.07Å; L135-L138 WeakPolarHBondContact O-CB 3.49Å; L135-L138 PolarHBondContact O-N 2.65Å; E136-L138 VanDerWaalsContact C-N 3.28Å; E136-L138 PolarHBondContact O-N 3.27Å; L138-L141 PolarHBondContact O-N 3.06Å; L138-E142 PolarHBondContact O-N 3.1Å
139	D	98.6	Very high	98.1	Very high	62 Å²	62	64.8 Å²	64.8	33%	0.332	32%	0.32	S	S	.	.	H	α-helix	trans	-64	-41.2	173.7	-66.2	-13.2	0	0	0	112.1	R94 L135 E136 T137 E142 K143	R94-D139 IonicContact CZ-OD1 2.86Å; R94-D139 IonicContact NE-OD1 3.22Å; R94-D139 PolarHBondContact NE-OD1 3.38Å; R94-D139 IonicContact NH2-OD1 3.98Å; R94-D139 PolarHBondContact NH2-OD1 2.84Å; L135-D139 VanDerWaalsContact O-CG 3.31Å; L135-D139 PolarHBondContact O-N 2.81Å; E136-D139 WeakPolarHBondContact O-CB 3.28Å; E136-D139 PolarHBondContact O-N 3.29Å; E136-D139 VanDerWaalsContact O-N 3.16Å; T137-D139 VanDerWaalsContact C-N 3.32Å; T137-D139 PolarHBondContact O-N 3.4Å; D139-E142 PolarHBondContact O-N 2.92Å; D139-K143 VanDerWaalsContact O-CG 3.31Å; D139-K143 WeakPolarHBondContact O-CG 3.3Å; D139-K143 PolarHBondContact O-N 3.36Å
140	E	98.6	Very high	98	Very high	85 Å²	85	68.8 Å²	68.8	40%	0.397	34%	0.344	S	S	.	.	H	α-helix	trans	-66.8	-40.6	175.7	-67.5	-49.9	121.9	0	0	112	L19 E136 T137 E142 K143 L144	L19-E140 HydrophobicContact CB-CB 4.34Å; L19-E140 HydrophobicContact CD1-CB 4.2Å; E136-E140 PolarHBondContact O-N 2.9Å; T137-E140 PolarHBondContact O-N 2.85Å; E140-E142 VanDerWaalsContact C-N 3.3Å; E140-E142 PolarHBondContact O-N 2.89Å; E140-K143 PolarHBondContact O-N 3.48Å; E140-K143 IonicContact OE1-NZ 2.66Å; E140-K143 PolarHBondContact OE1-NZ 3.48Å; E140-L144 PolarHBondContact O-N 2.86Å
141	L	98.6	Very high	98	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-56.5	-45.4	171.6	-77.7	166.8	0	0	0	111	L19 I22 F52 N55 V61 Y115 T137 L138 K143 L144	L19-L141 HydrophobicContact CD1-CB 4.49Å; L19-L141 HydrophobicContact CD1-CD2 3.68Å; L19-L141 HydrophobicContact CD1-CG 3.86Å; I22-L141 HydrophobicContact CD1-CD1 3.91Å; F52-L141 HydrophobicContact CB-CD2 4.41Å; F52-L141 HydrophobicContact CD1-CD1 4.45Å; F52-L141 HydrophobicContact CD1-CD2 4.33Å; F52-L141 HydrophobicContact CD2-CD2 3.56Å; F52-L141 HydrophobicContact CE1-CD1 4.03Å; F52-L141 HydrophobicContact CE2-CD1 4.24Å; F52-L141 HydrophobicContact CE2-CD2 3.83Å; F52-L141 HydrophobicContact CG-CD2 3.85Å; F52-L141 HydrophobicContact CZ-CD1 3.92Å; F52-L141 HydrophobicContact CZ-CD2 4.3Å; N55-L141 PolarHBondContact ND2-O 3.31Å; V61-L141 HydrophobicContact CG1-CD1 4.49Å; Y115-L141 VanDerWaalsContact OH-C 3.28Å; Y115-L141 WeakPolarHBondContact OH-CB 3.43Å; T137-L141 PolarHBondContact O-N 3.45Å; L138-L141 PolarHBondContact O-N 3.06Å; L141-K143 PolarHBondContact O-N 2.94Å; L141-L144 HydrophobicContact CD2-CD1 4.12Å; L141-L144 WeakPolarHBondContact O-CB 3.33Å; L141-L144 WeakPolarHBondContact O-CG 3.41Å; L141-L144 PolarHBondContact O-N 3.15Å
142	E	98.7	Very high	98	Very high	34 Å²	34	73.2 Å²	73.2	16%	0.159	36%	0.36	C	S	.	.	H	α-helix	trans	-64.7	-26.6	-177.7	-172.2	167.5	-168.9	0	0	113.6	K57 G58 R94 Y115 L138 D139 E140 L144	K57-E142 HydrophobicContact CB-CG 4.41Å; K57-E142 HydrophobicContact CG-CG 3.94Å; G58-E142 WeakPolarHBondContact CA-OE1 3.26Å; G58-E142 PolarHBondContact N-OE1 3.5Å; R94-E142 IonicContact CZ-OE2 3.2Å; R94-E142 VanDerWaalsContact CZ-OE2 3.25Å; R94-E142 IonicContact NH1-OE2 2.71Å; R94-E142 PolarHBondContact NH1-OE2 3.09Å; R94-E142 IonicContact NH2-OE2 2.66Å; R94-E142 PolarHBondContact NH2-OE2 3.43Å; Y115-E142 HydrophobicContact CD1-CB 3.98Å; Y115-E142 HydrophobicContact CD1-CG 4.22Å; Y115-E142 HydrophobicContact CD2-CB 4.37Å; Y115-E142 HydrophobicContact CD2-CG 3.97Å; Y115-E142 HydrophobicContact CE1-CB 3.61Å; Y115-E142 HydrophobicContact CE1-CG 4.23Å; Y115-E142 HydrophobicContact CE2-CB 4.04Å; Y115-E142 HydrophobicContact CE2-CG 3.98Å; Y115-E142 HydrophobicContact CG-CB 4.34Å; Y115-E142 HydrophobicContact CG-CG 4.08Å; Y115-E142 WeakPolarHBondContact OH-CA 3.29Å; Y115-E142 PolarHBondContact OH-N 3.02Å; Y115-E142 VanDerWaalsContact OH-N 3.13Å; L138-E142 PolarHBondContact O-N 3.1Å; D139-E142 PolarHBondContact O-N 2.92Å; E140-E142 VanDerWaalsContact C-N 3.3Å; E140-E142 PolarHBondContact O-N 2.89Å; E142-L144 VanDerWaalsContact C-N 3.35Å
143	K	98.4	Very high	98.1	Very high	126 Å²	126	69.6 Å²	69.6	55%	0.548	34%	0.342	S	S	.	.	H	α-helix	trans	-80.6	-14.3	179.7	-68.9	166.9	-164.6	168.1	0	113.3	D139 E140 L141	D139-K143 VanDerWaalsContact O-CG 3.31Å; D139-K143 WeakPolarHBondContact O-CG 3.3Å; D139-K143 PolarHBondContact O-N 3.36Å; E140-K143 PolarHBondContact O-N 3.48Å; E140-K143 IonicContact OE1-NZ 2.66Å; E140-K143 PolarHBondContact OE1-NZ 3.48Å; L141-K143 PolarHBondContact O-N 2.94Å
144	L	98.3	Very high	98.1	Very high	32 Å²	32	70.4 Å²	70.4	17%	0.168	35%	0.346	C	S	.	.	S	Bend	trans	-57.3	129.2	-177.2	-69.1	179.6	0	0	0	111.3	L19 E140 L141 E142 V146 P153	L19-L144 HydrophobicContact CD1-CD1 4.04Å; L19-L144 HydrophobicContact CD1-CD2 4.24Å; L19-L144 HydrophobicContact CD1-CG 4.24Å; E140-L144 PolarHBondContact O-N 2.86Å; L141-L144 HydrophobicContact CD2-CD1 4.12Å; L141-L144 WeakPolarHBondContact O-CB 3.33Å; L141-L144 WeakPolarHBondContact O-CG 3.41Å; L141-L144 PolarHBondContact O-N 3.15Å; E142-L144 VanDerWaalsContact C-N 3.35Å; L144-V146 PolarHBondContact O-N 3.32Å; L144-P153 HydrophobicContact CD1-CB 4.2Å; L144-P153 HydrophobicContact CD1-CG 4.35Å
145	P	98.4	Very high	98	Very high	81 Å²	81	75 Å²	75	53%	0.526	37%	0.373	S	S	.	.			trans	-59.5	137.6	169.2	-23.5	34.4	0	0	0	110.7	P153 L154	P145-P153 WeakPolarHBondContact O-CA 3.46Å; P145-L154 HydrophobicContact CB-CD1 3.9Å; P145-L154 HydrophobicContact CB-CG 4.28Å; P145-L154 PolarHBondContact O-N 2.86Å
146	V	98.6	Very high	97.8	Very high	42 Å²	42	75 Å²	75	26%	0.255	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-123.7	156.7	-179.6	-59.2	0	0	0	0	111.5	N55 L144 E148 F151 R152 P153	N55-V146 HydrophobicContact CB-CG1 3.95Å; L144-V146 PolarHBondContact O-N 3.32Å; V146-E148 PolarHBondContact O-N 3.48Å; V146-F151 HydrophobicContact CG2-CD1 4.47Å; V146-R152 CarbonylContact C-O 3.5Å; V146-R152 WeakPolarHBondContact CA-O 3.33Å; V146-P153 HydrophobicContact CG1-CG 4.45Å
147	N	98.3	Very high	97.8	Very high	65 Å²	65	69.8 Å²	69.8	35%	0.348	35%	0.348	S	S	.	.			trans	-65.5	126.3	164.3	-177.8	-75	0	0	0	109.8	K149 T150 F151 R152 L154	N147-K149 PolarHBondContact O-N 3.45Å; N147-K149 WeakPolarHBondContact OD1-CB 3.49Å; N147-K149 PolarHBondContact OD1-N 3.04Å; N147-T150 WeakPolarHBondContact CB-OG1 3.25Å; N147-T150 PolarHBondContact O-N 3.42Å; N147-T150 PolarHBondContact OD1-N 3.43Å; N147-T150 VanDerWaalsContact OD1-N 3.1Å; N147-T150 PolarHBondContact OD1-OG1 3.08Å; N147-F151 WeakPolarHBondContact O-CA 3.09Å; N147-F151 PolarHBondContact O-N 2.68Å; N147-R152 PolarHBondContact N-O 3.22Å; N147-L154 HydrophobicContact CB-CD2 4.16Å
148	E	96.2	Very high	97.8	Very high	175 Å²	175	74 Å²	74	82%	0.818	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-26	-174.8	-62.8	-179.7	169.1	0	0	114.4	V146	V146-E148 PolarHBondContact O-N 3.48Å
149	K	96.3	Very high	97.8	Very high	190 Å²	190	74 Å²	74	83%	0.826	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-39.9	-177.1	-64.4	-176.5	179.6	179.5	0	112.5	N147	N147-K149 PolarHBondContact O-N 3.45Å; N147-K149 WeakPolarHBondContact OD1-CB 3.49Å; N147-K149 PolarHBondContact OD1-N 3.04Å
150	T	97	Very high	97.8	Very high	83 Å²	83	76.5 Å²	76.5	51%	0.509	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-14.4	-173.9	64.8	0	0	0	0	113.2	N147 R152	N147-T150 WeakPolarHBondContact CB-OG1 3.25Å; N147-T150 PolarHBondContact O-N 3.42Å; N147-T150 PolarHBondContact OD1-N 3.43Å; N147-T150 VanDerWaalsContact OD1-N 3.1Å; N147-T150 PolarHBondContact OD1-OG1 3.08Å; T150-R152 PolarHBondContact O-N 2.83Å; T150-R152 WeakPolarHBondContact OG1-CB 3.44Å; T150-R152 PolarHBondContact OG1-N 3.01Å
151	F	98.2	Very high	97.8	Very high	79 Å²	79	76.2 Å²	76.2	35%	0.346	37%	0.372	S	S	.	.			trans	57.7	19.2	-170.9	-54.7	-74.5	0	0	0	113.5	R54 N55 I56 V146 N147	R54-F151 HydrophobicContact CG-CB 4.14Å; N55-F151 PolarHBondContact N-O 2.86Å; I56-F151 HydrophobicContact CD1-CB 4.47Å; I56-F151 HydrophobicContact CD1-CD2 4.06Å; I56-F151 HydrophobicContact CD1-CE2 4.44Å; I56-F151 HydrophobicContact CD1-CG 4.1Å; I56-F151 HydrophobicContact CG1-CB 3.82Å; I56-F151 HydrophobicContact CG1-CD1 3.92Å; I56-F151 HydrophobicContact CG1-CD2 4.2Å; I56-F151 HydrophobicContact CG1-CG 3.71Å; V146-F151 HydrophobicContact CG2-CD1 4.47Å; N147-F151 WeakPolarHBondContact O-CA 3.09Å; N147-F151 PolarHBondContact O-N 2.68Å
152	R	98.3	Very high	97.8	Very high	103 Å²	103	77 Å²	77	39%	0.389	38%	0.377	S	S	.	.			trans	-78.8	131.3	175	-167.6	169.4	-169.4	-93.8	-1.1	109.2	V146 N147 T150 L154 E156	V146-R152 CarbonylContact C-O 3.5Å; V146-R152 WeakPolarHBondContact CA-O 3.33Å; N147-R152 PolarHBondContact N-O 3.22Å; T150-R152 PolarHBondContact O-N 2.83Å; T150-R152 WeakPolarHBondContact OG1-CB 3.44Å; T150-R152 PolarHBondContact OG1-N 3.01Å; R152-L154 PolarHBondContact O-N 2.87Å; R152-E156 IonicContact NH2-OE1 3.87Å; R152-E156 PolarHBondContact NH2-OE1 3.19Å
153	P	98.1	Very high	97.7	Very high	8 Å²	8	78 Å²	78	5%	0.052	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-51.6	138	172	-28.9	37.4	0	0	0	112.5	F52 N55 L144 P145 V146 T155	F52-P153 WeakPolarHBondContact O-CD 3.17Å; F52-P153 WeakPolarHBondContact O-CG 3.2Å; N55-P153 HydrophobicContact CB-CG 3.96Å; L144-P153 HydrophobicContact CD1-CB 4.2Å; L144-P153 HydrophobicContact CD1-CG 4.35Å; P145-P153 WeakPolarHBondContact O-CA 3.46Å; V146-P153 HydrophobicContact CG1-CG 4.45Å; P153-T155 WeakPolarHBondContact CB-O 3.27Å
154	L	98.1	Very high	97.6	Very high	116 Å²	116	75 Å²	75	61%	0.607	38%	0.375	S	S	*	.	S	Bend	trans	-72.6	-36.4	177.3	-61.6	-175.6	0	0	0	111.3	P145 N147 R152	P145-L154 HydrophobicContact CB-CD1 3.9Å; P145-L154 HydrophobicContact CB-CG 4.28Å; P145-L154 PolarHBondContact O-N 2.86Å; N147-L154 HydrophobicContact CB-CD2 4.16Å; R152-L154 PolarHBondContact O-N 2.87Å
155	T	95.8	Very high	97.2	Very high	99 Å²	99	76.4 Å²	76.4	61%	0.607	38%	0.38	S	S	*	.	S	Bend	trans	-101.8	126.2	167.6	-55.1	0	0	0	0	107.9	P153	P153-T155 WeakPolarHBondContact CB-O 3.27Å
156	E	94.7	Very high	96.1	Very high	76 Å²	76	75.6 Å²	75.6	36%	0.355	38%	0.381	S	S	.	.			trans	-72	138.2	-179.7	-165.8	164.1	-151.3	0	0	110.8	S51 R152 R158	S51-E156 WeakPolarHBondContact CB-OE1 3.18Å; S51-E156 PolarHBondContact OG-OE1 2.81Å; S51-E156 VanDerWaalsContact OG-OE1 3.1Å; R152-E156 IonicContact NH2-OE1 3.87Å; R152-E156 PolarHBondContact NH2-OE1 3.19Å; E156-R158 HydrophobicContact CG-CG 4.17Å; E156-R158 IonicContact OE1-CZ 2.93Å; E156-R158 IonicContact OE1-NE 3.46Å; E156-R158 IonicContact OE1-NH1 3.81Å; E156-R158 PolarHBondContact OE1-NH1 3.37Å; E156-R158 IonicContact OE1-NH2 3.5Å; E156-R158 PolarHBondContact OE1-NH2 3.5Å; E156-R158 IonicContact OE2-CZ 2.64Å; E156-R158 IonicContact OE2-NE 3.18Å; E156-R158 IonicContact OE2-NH2 3.56Å; E156-R158 PolarHBondContact OE2-NH2 3Å
157	S	97.7	Very high	94.1	Very high	4 Å²	4	75.1 Å²	75.1	3%	0.028	38%	0.377	C	S	.	.			trans	-129.7	140.9	170.9	178	0	0	0	0	107.9	S51 F52	S51-S157 WeakPolarHBondContact CA-O 3.43Å; F52-S157 WeakPolarHBondContact CD2-O 3.2Å; F52-S157 PolarHBondContact N-O 2.65Å
158	R	98.6	Very high	91.7	Very high	93 Å²	93	76.5 Å²	76.5	35%	0.351	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-132.6	159.2	-170.1	-58.4	176.4	178.8	-90.9	7.4	112.1	T17 D18 G49 C50 E156	T17-R158 CarbonylContact C-O 3.57Å; T17-R158 WeakPolarHBondContact CA-O 3.47Å; T17-R158 WeakPolarHBondContact CB-O 3.26Å; D18-R158 PolarHBondContact N-O 3.46Å; D18-R158 WeakPolarHBondContact OD2-CB 3.31Å; D18-R158 PolarHBondContact OD2-N 3.11Å; G49-R158 PolarHBondContact O-NH1 2.95Å; C50-R158 CarbonylContact O-C 3.48Å; C50-R158 VanDerWaalsContact O-CA 3.27Å; C50-R158 WeakPolarHBondContact O-CA 3.36Å; E156-R158 HydrophobicContact CG-CG 4.17Å; E156-R158 IonicContact OE1-CZ 2.93Å; E156-R158 IonicContact OE1-NE 3.46Å; E156-R158 IonicContact OE1-NH1 3.81Å; E156-R158 PolarHBondContact OE1-NH1 3.37Å; E156-R158 IonicContact OE1-NH2 3.5Å; E156-R158 PolarHBondContact OE1-NH2 3.5Å; E156-R158 IonicContact OE2-CZ 2.64Å; E156-R158 IonicContact OE2-NE 3.18Å; E156-R158 IonicContact OE2-NH2 3.56Å; E156-R158 PolarHBondContact OE2-NH2 3Å
159	I	98.8	Very high	89.4	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	121.5	157.8	-56.5	170.3	0	0	0	106.4	L15 Y47 G49 C50 F52 T63 F111 V162	L15-I159 HydrophobicContact CB-CG2 4.44Å; L15-I159 HydrophobicContact CD1-CD1 4.1Å; Y47-I159 WeakPolarHBondContact O-CB 3.37Å; G49-I159 VanDerWaalsContact CA-O 3.31Å; G49-I159 WeakPolarHBondContact CA-O 3.28Å; G49-I159 PolarHBondContact N-O 2.97Å; C50-I159 PolarHBondContact O-N 2.99Å; F52-I159 HydrophobicContact CE2-CG1 4.44Å; F52-I159 HydrophobicContact CZ-CG1 4.14Å; T63-I159 HydrophobicContact CG2-CD1 4.02Å; F111-I159 HydrophobicContact CZ-CD1 4.18Å; I159-V162 HydrophobicContact CG2-CG2 3.87Å
160	K	98.5	Very high	86.9	Confident	115 Å²	115	69 Å²	69	50%	0.5	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-48.5	179.1	-60.7	-179.9	-58	-154.4	0	110.9	H16 T17 D18	H16-K160 WeakPolarHBondContact O-CA 3.38Å; H16-K160 WeakPolarHBondContact O-CB 2.94Å; H16-K160 PolarHBondContact O-N 3.13Å; T17-K160 WeakPolarHBondContact O-CE 3.28Å; T17-K160 PolarHBondContact O-NZ 3.01Å; D18-K160 WeakPolarHBondContact OD1-CD 3.35Å; D18-K160 WeakPolarHBondContact OD1-CG 3.45Å
161	D	98.1	Very high	84.1	Confident	80 Å²	80	71.1 Å²	71.1	43%	0.428	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	170.5	179.5	-163.8	21.5	0	0	0	110.7	H16 N48	H16-D161 PolarHBondContact N-O 2.88Å; H16-D161 PolarHBondContact O-N 3.45Å; N48-D161 PolarHBondContact ND2-OD1 3.49Å; N48-D161 WeakPolarHBondContact OD1-CA 2.96Å; N48-D161 PolarHBondContact OD1-OD1 2.87Å
162	V	98.5	Very high	83.4	Confident	16 Å²	16	70.7 Å²	70.7	10%	0.097	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126.1	-177.9	-176.3	0	0	0	0	111.4	V13 T14 L15 C42 I159	V13-V162 HydrophobicContact CG1-CG1 3.19Å; T14-V162 WeakPolarHBondContact O-CA 3.49Å; L15-V162 HydrophobicContact CD2-CB 4.42Å; L15-V162 HydrophobicContact CD2-CG1 3.94Å; L15-V162 HydrophobicContact CD2-CG2 3.69Å; C42-V162 HydrophobicContact CB-CB 4.35Å; C42-V162 HydrophobicContact CB-CG1 3.72Å; I159-V162 HydrophobicContact CG2-CG2 3.87Å
163	T	97.9	Very high	82.6	Confident	54 Å²	54	69 Å²	69	33%	0.331	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.4	170.4	-60.2	0	0	0	0	110	V13 T14 H16 H165	V13-T163 CarbonylContact C-O 3.42Å; V13-T163 WeakPolarHBondContact CA-O 3.32Å; T14-T163 PolarHBondContact N-O 3.16Å; T14-T163 PolarHBondContact O-N 3.34Å; H16-T163 PolarHBondContact NE2-OG1 2.99Å; T163-H165 VanDerWaalsContact CG2-CE1 3.43Å; T163-H165 WeakPolarHBondContact CG2-CE1 3.32Å
164	I	95.4	Very high	81.8	Confident	65 Å²	65	72.4 Å²	72.4	33%	0.333	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.7	173	-59.7	169.4	0	0	0	108.9	M11 V13 L39 C42 A43	M11-I164 HydrophobicContact CE-CG2 4.03Å; V13-I164 HydrophobicContact CG2-CG1 4.35Å; L39-I164 HydrophobicContact CD2-CG1 4.44Å; L39-I164 HydrophobicContact CD2-CG2 3.84Å; C42-I164 HydrophobicContact CB-CD1 3.85Å; C42-I164 HydrophobicContact CB-CG1 4.03Å; A43-I164 HydrophobicContact CB-CD1 3.88Å
165	H	90.9	Very high	80.8	Confident	61 Å²	61	69.8 Å²	69.8	28%	0.282	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	113.6	174.3	-48	-88.6	0	0	0	108.1	A12 T14 T163 N167	A12-H165 HydrophobicContact CB-CB 4.29Å; A12-H165 PolarHBondContact N-O 2.97Å; A12-H165 CarbonylContact O-C 3.54Å; A12-H165 WeakPolarHBondContact O-CA 3.34Å; A12-H165 WeakPolarHBondContact O-CB 3.37Å; A12-H165 PolarHBondContact O-N 3.45Å; T14-H165 PolarHBondContact OG1-NE2 3.3Å; T163-H165 VanDerWaalsContact CG2-CE1 3.43Å; T163-H165 WeakPolarHBondContact CG2-CE1 3.32Å; H165-N167 PolarHBondContact O-N 2.53Å
166	A	74.4	Confident	79.9	Confident	64 Å²	64	68 Å²	68	53%	0.529	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	125.7	149.9	0	0	0	0	0	105.1	M11 P168	M11-A166 HydrophobicContact CE-CB 4.49Å; M11-A166 HydrophobicContact SD-CB 4.29Å; A166-P168 WeakPolarHBondContact O-CD 3.48Å
167	N	55.6	Low	78.9	Confident	32 Å²	32	67.5 Å²	67.5	17%	0.171	40%	0.4	C	S	.	.			trans	-74.5	108.4	-175.8	-170.3	8.3	0	0	0	110.3	E10 H165 F169 A170	E10-N167 HydrophobicContact CB-CB 4.2Å; E10-N167 WeakPolarHBondContact O-CB 3.4Å; E10-N167 PolarHBondContact O-N 3.45Å; E10-N167 VanDerWaalsContact O-N 3.1Å; H165-N167 PolarHBondContact O-N 2.53Å; N167-F169 VanDerWaalsContact OD1-CA 3.24Å; N167-F169 WeakPolarHBondContact OD1-CA 3.49Å; N167-F169 VanDerWaalsContact OD1-CB 3.24Å; N167-F169 WeakPolarHBondContact OD1-CB 3.35Å; N167-F169 PolarHBondContact OD1-N 3.02Å; N167-A170 PolarHBondContact ND2-N 3.13Å; N167-A170 PolarHBondContact OD1-N 3.11Å
168	P	49.2	Very low	77.5	Confident	94 Å²	94	72 Å²	72	61%	0.61	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	3.3	165.2	38.2	-39.5	0	0	0	112.3	A166	A166-P168 WeakPolarHBondContact O-CD 3.48Å
169	F	46.7	Very low	75.9	Confident	176 Å²	176	70.4 Å²	70.4	77%	0.772	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	11	-176.4	-56.2	-75.6	0	0	0	113.7	N167 G171	N167-F169 VanDerWaalsContact OD1-CA 3.24Å; N167-F169 WeakPolarHBondContact OD1-CA 3.49Å; N167-F169 VanDerWaalsContact OD1-CB 3.24Å; N167-F169 WeakPolarHBondContact OD1-CB 3.35Å; N167-F169 PolarHBondContact OD1-N 3.02Å; F169-G171 VanDerWaalsContact C-N 3.29Å; F169-G171 PolarHBondContact O-N 3.12Å
170	A	45.4	Very low	74	Confident	30 Å²	30	76.3 Å²	76.3	25%	0.248	47%	0.468	C	S	.	.			trans	-92.8	65.7	159.9	0	0	0	0	0	108.8	E10 N167	E10-A170 HydrophobicContact CB-CB 4.36Å; E10-A170 HydrophobicContact CG-CB 4.39Å; N167-A170 PolarHBondContact ND2-N 3.13Å; N167-A170 PolarHBondContact OD1-N 3.11Å
171	G	37.4	Very low	71.8	Confident	128 Å²	128	72.7 Å²	72.7	100%	1.32	47%	0.466	S	S	*	.			trans	144.1	0	-179.2	0	0	0	0	0	113.6	F169	F169-G171 VanDerWaalsContact C-N 3.29Å; F169-G171 PolarHBondContact O-N 3.12Å

Retrieved 171 of 171 residues in 171.4 ms (Link to these results)

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