A0A077ZGX3_TRITR 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 A0A077ZGX3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 183 aa.

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(Predicted Aligned Error values between residue pairs)

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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	52	Low	83.8	Confident	202 Å²	202	87.1 Å²	87.1	100%	0.995	45%	0.453	S	S	*	.				0	133.1	0	-77	177.5	-97	0	0	106.8
2	S	69.7	Low	84.7	Confident	78 Å²	78	89 Å²	89	55%	0.545	45%	0.45	S	S	.	.			trans	-62.4	141.2	177	49	0	0	0	0	109.4	W4 K5	S2-W4 PolarHBondContact O-N 3.15Å; S2-W4 VanDerWaalsContact O-N 3.08Å; S2-K5 WeakPolarHBondContact O-CB 3.43Å; S2-K5 PolarHBondContact O-N 3.35Å
3	D	83.3	Confident	85.6	Confident	101 Å²	101	87.5 Å²	87.5	54%	0.54	44%	0.44	S	S	.	.	H	α-helix	trans	-49	-37.1	178.7	-171.2	40.7	0	0	0	112.1	K5 A6 I7 K34	D3-K5 PolarHBondContact O-N 3.35Å; D3-A6 PolarHBondContact O-N 3.39Å; D3-I7 PolarHBondContact O-N 2.99Å; D3-I7 VanDerWaalsContact O-N 3.14Å; D3-K34 IonicContact OD2-NZ 3.77Å; D3-K34 PolarHBondContact OD2-NZ 3.15Å
4	W	85.8	Confident	86.2	Confident	79 Å²	79	88.2 Å²	88.2	30%	0.299	45%	0.454	S	S	.	.	H	α-helix	trans	-63.3	-34.5	176.8	-175.6	-129.8	0	0	0	115.3	S2 I7 K8 V18 M183	S2-W4 PolarHBondContact O-N 3.15Å; S2-W4 VanDerWaalsContact O-N 3.08Å; W4-I7 HydrophobicContact CE3-CB 3.99Å; W4-I7 HydrophobicContact CE3-CD1 4.22Å; W4-I7 HydrophobicContact CE3-CG2 3.82Å; W4-I7 HydrophobicContact CZ3-CB 4.3Å; W4-I7 HydrophobicContact CZ3-CG2 3.6Å; W4-I7 PolarHBondContact O-N 3.35Å; W4-K8 HydrophobicContact CD2-CG 4.26Å; W4-K8 VanDerWaalsContact CE2-CE 3.45Å; W4-K8 HydrophobicContact CH2-CG 4.46Å; W4-K8 HydrophobicContact CZ2-CD 4.21Å; W4-K8 HydrophobicContact CZ2-CG 3.99Å; W4-K8 VanDerWaalsContact NE1-CE 3.33Å; W4-K8 PolarHBondContact O-N 3.24Å; W4-V18 HydrophobicContact CH2-CB 3.96Å; W4-V18 HydrophobicContact CH2-CG1 4.49Å; W4-V18 HydrophobicContact CH2-CG2 3.99Å; W4-V18 HydrophobicContact CZ3-CB 4.14Å; W4-V18 HydrophobicContact CZ3-CG1 4.17Å; W4-V18 HydrophobicContact CZ3-CG2 4.23Å; W4-M183 HydrophobicContact CE3-CE 3.6Å; W4-M183 HydrophobicContact CE3-SD 4.33Å; W4-M183 HydrophobicContact CH2-CB 3.78Å; W4-M183 HydrophobicContact CZ3-CB 3.73Å; W4-M183 HydrophobicContact CZ3-CE 3.69Å; W4-M183 HydrophobicContact CZ3-CG 4.41Å; W4-M183 HydrophobicContact CZ3-SD 3.82Å
5	K	87	Confident	86.8	Confident	103 Å²	103	92.7 Å²	92.7	45%	0.448	47%	0.472	S	S	.	.	H	α-helix	trans	-66.3	-42.9	179.2	-176.2	177.9	172.5	-179.2	0	110.4	S2 D3 I7 K8 E9	S2-K5 WeakPolarHBondContact O-CB 3.43Å; S2-K5 PolarHBondContact O-N 3.35Å; D3-K5 PolarHBondContact O-N 3.35Å; K5-I7 VanDerWaalsContact C-N 3.34Å; K5-K8 PolarHBondContact O-N 2.93Å; K5-E9 WeakPolarHBondContact CE-OE1 3.47Å; K5-E9 IonicContact NZ-OE1 3.9Å; K5-E9 WeakPolarHBondContact O-CG 3.46Å; K5-E9 PolarHBondContact O-N 2.94Å; K5-E9 VanDerWaalsContact O-N 3.08Å
6	A	88.8	Confident	87.5	Confident	54 Å²	54	87.3 Å²	87.3	45%	0.446	45%	0.445	S	S	.	.	H	α-helix	trans	-64.1	-40.4	176.7	0	0	0	0	0	111.7	D3 E9 S10	D3-A6 PolarHBondContact O-N 3.39Å; A6-E9 PolarHBondContact O-N 3.32Å; A6-S10 PolarHBondContact O-N 2.96Å; A6-S10 VanDerWaalsContact O-N 3.14Å
7	I	89	Confident	88.1	Confident	9 Å²	9	83.5 Å²	83.5	5%	0.046	43%	0.427	C	S	.	.	H	α-helix	trans	-59.1	-50.9	174.4	-73.5	164.3	0	0	0	111	D3 W4 K5 E9 S10 L11 V18 K34 I151 M183	D3-I7 PolarHBondContact O-N 2.99Å; D3-I7 VanDerWaalsContact O-N 3.14Å; W4-I7 HydrophobicContact CE3-CB 3.99Å; W4-I7 HydrophobicContact CE3-CD1 4.22Å; W4-I7 HydrophobicContact CE3-CG2 3.82Å; W4-I7 HydrophobicContact CZ3-CB 4.3Å; W4-I7 HydrophobicContact CZ3-CG2 3.6Å; W4-I7 PolarHBondContact O-N 3.35Å; K5-I7 VanDerWaalsContact C-N 3.34Å; I7-E9 VanDerWaalsContact C-N 3.3Å; I7-E9 PolarHBondContact O-N 2.88Å; I7-S10 WeakPolarHBondContact O-CB 3.24Å; I7-S10 PolarHBondContact O-N 3.18Å; I7-S10 PolarHBondContact O-OG 3.29Å; I7-L11 HydrophobicContact CG2-CD2 4.43Å; I7-L11 WeakPolarHBondContact O-CG 3.44Å; I7-L11 PolarHBondContact O-N 2.9Å; I7-V18 HydrophobicContact CG2-CG2 4.47Å; I7-K34 HydrophobicContact CD1-CD 3.59Å; I7-I151 HydrophobicContact CG2-CD1 3.58Å; I7-M183 HydrophobicContact CD1-CE 4.28Å
8	K	88.9	Confident	88.7	Confident	116 Å²	116	79.1 Å²	79.1	50%	0.504	41%	0.405	S	S	.	.	H	α-helix	trans	-58.4	-40.4	179.4	-81.7	-166.6	162.4	-169.5	0	113.1	W4 K5 S10 L11	W4-K8 HydrophobicContact CD2-CG 4.26Å; W4-K8 VanDerWaalsContact CE2-CE 3.45Å; W4-K8 HydrophobicContact CH2-CG 4.46Å; W4-K8 HydrophobicContact CZ2-CD 4.21Å; W4-K8 HydrophobicContact CZ2-CG 3.99Å; W4-K8 VanDerWaalsContact NE1-CE 3.33Å; W4-K8 PolarHBondContact O-N 3.24Å; K5-K8 PolarHBondContact O-N 2.93Å; K8-S10 PolarHBondContact O-N 3.32Å; K8-L11 PolarHBondContact O-N 2.79Å
9	E	90.7	Very high	89.2	Confident	135 Å²	135	74.9 Å²	74.9	63%	0.631	38%	0.384	S	S	*	.	H	α-helix	trans	-69.3	-20.3	177.4	-71.3	170.8	176.4	0	0	112.8	K5 A6 I7	K5-E9 WeakPolarHBondContact CE-OE1 3.47Å; K5-E9 IonicContact NZ-OE1 3.9Å; K5-E9 WeakPolarHBondContact O-CG 3.46Å; K5-E9 PolarHBondContact O-N 2.94Å; K5-E9 VanDerWaalsContact O-N 3.08Å; A6-E9 PolarHBondContact O-N 3.32Å; I7-E9 VanDerWaalsContact C-N 3.3Å; I7-E9 PolarHBondContact O-N 2.88Å
10	S	91.1	Very high	89.7	Confident	59 Å²	59	73.4 Å²	73.4	41%	0.413	37%	0.374	S	S	.	.	H	α-helix	trans	-89.2	-11.6	179.3	77.3	0	0	0	0	114.9	A6 I7 K8 R149	A6-S10 PolarHBondContact O-N 2.96Å; A6-S10 VanDerWaalsContact O-N 3.14Å; I7-S10 WeakPolarHBondContact O-CB 3.24Å; I7-S10 PolarHBondContact O-N 3.18Å; I7-S10 PolarHBondContact O-OG 3.29Å; K8-S10 PolarHBondContact O-N 3.32Å; S10-R149 PolarHBondContact O-NH2 2.82Å
11	L	95.5	Very high	90.1	Very high	22 Å²	22	69.9 Å²	69.9	12%	0.115	36%	0.356	C	S	.	.			trans	-64	147.8	-177.9	-58.4	-178.5	0	0	0	111	I7 K8 H13 V18 E36 I151	I7-L11 HydrophobicContact CG2-CD2 4.43Å; I7-L11 WeakPolarHBondContact O-CG 3.44Å; I7-L11 PolarHBondContact O-N 2.9Å; K8-L11 PolarHBondContact O-N 2.79Å; L11-H13 VanDerWaalsContact C-N 3.3Å; L11-H13 WeakPolarHBondContact CB-O 3.41Å; L11-V18 HydrophobicContact CD1-CG2 4.04Å; L11-V18 HydrophobicContact CD2-CG2 3.69Å; L11-E36 HydrophobicContact CD2-CB 4.03Å; L11-E36 HydrophobicContact CD2-CG 3.94Å; L11-I151 HydrophobicContact CD2-CD1 3.82Å
12	R	94.2	Very high	92.3	Very high	110 Å²	110	64.5 Å²	64.5	42%	0.415	33%	0.329	S	S	.	.	S	Bend	trans	-68.5	-35.4	173.5	176.8	175.6	160.1	-74.7	-10.7	110.7	E36 F38 D40 V41	R12-E36 WeakPolarHBondContact CA-OE1 3.39Å; R12-E36 WeakPolarHBondContact CB-OE1 3.49Å; R12-E36 PolarHBondContact N-OE1 2.77Å; R12-E36 PolarHBondContact N-OE2 3.19Å; R12-F38 HydrophobicContact CB-CE1 4.49Å; R12-D40 IonicContact CZ-OD2 3.3Å; R12-D40 VanDerWaalsContact CZ-OD2 3.3Å; R12-D40 IonicContact NH1-OD1 2.8Å; R12-D40 PolarHBondContact NH1-OD1 3.36Å; R12-D40 IonicContact NH1-OD2 2.63Å; R12-D40 PolarHBondContact NH1-OD2 3.21Å; R12-D40 IonicContact NH2-OD2 3.18Å; R12-D40 PolarHBondContact NH2-OD2 3.27Å; R12-V41 VanDerWaalsContact NH2-CG2 3.26Å
13	H	96.2	Very high	93.7	Very high	70 Å²	70	60.9 Å²	60.9	32%	0.324	30%	0.303	S	S	.	.	S	Bend	trans	-137.2	134.8	174.5	-171.1	-85.5	0	0	0	109.8	L11 E15 N16 E36 D40	L11-H13 VanDerWaalsContact C-N 3.3Å; L11-H13 WeakPolarHBondContact CB-O 3.41Å; H13-E15 PolarHBondContact ND1-N 2.98Å; H13-E15 PolarHBondContact O-N 3.15Å; H13-N16 HydrophobicContact CB-CB 4.5Å; H13-N16 WeakPolarHBondContact CB-ND2 3.15Å; H13-N16 WeakPolarHBondContact O-CB 3.23Å; H13-N16 PolarHBondContact O-N 3.49Å; H13-N16 VanDerWaalsContact O-N 3.08Å; H13-E36 PolarHBondContact N-OE1 3.26Å; H13-D40 HydrophobicContact CB-CB 4.13Å
14	P	94.1	Very high	94.4	Very high	97 Å²	97	57.1 Å²	57.1	63%	0.63	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.4	-172.7	24	-34.7	0	0	0	114.4
15	E	95.6	Very high	95	Very high	155 Å²	155	54.2 Å²	54.2	72%	0.724	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-0.5	178.6	-57.5	-58.4	126.3	0	0	113.6	H13	H13-E15 PolarHBondContact ND1-N 2.98Å; H13-E15 PolarHBondContact O-N 3.15Å
16	N	98.2	Very high	95.4	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.037	28%	0.281	C	S	.	.			trans	-67	131	-179.9	-85.1	-12	0	0	0	111	H13 E36 L37 A39 D40	H13-N16 HydrophobicContact CB-CB 4.5Å; H13-N16 WeakPolarHBondContact CB-ND2 3.15Å; H13-N16 WeakPolarHBondContact O-CB 3.23Å; H13-N16 PolarHBondContact O-N 3.49Å; H13-N16 VanDerWaalsContact O-N 3.08Å; N16-E36 HydrophobicContact CB-CG 3.82Å; N16-E36 PolarHBondContact ND2-OE1 2.82Å; N16-L37 WeakPolarHBondContact CB-O 3.22Å; N16-L37 PolarHBondContact OD1-O 2.81Å; N16-A39 PolarHBondContact OD1-N 3.34Å; N16-D40 PolarHBondContact ND2-OD1 2.88Å; N16-D40 PolarHBondContact OD1-N 3.39Å; N16-D40 PolarHBondContact OD1-OD1 2.81Å
17	P	98.2	Very high	95.6	Very high	22 Å²	22	52.9 Å²	52.9	14%	0.143	29%	0.291	C	S	.	.			trans	-60.6	142.2	174.9	-22.6	32.6	0	0	0	111.4	L37 A39 R50	P17-L37 HydrophobicContact CB-CB 4.38Å; P17-L37 HydrophobicContact CB-CD1 4.34Å; P17-L37 PolarHBondContact O-N 3.06Å; P17-A39 HydrophobicContact CG-CB 4.12Å; P17-R50 HydrophobicContact CB-CG 4.35Å
18	V	98.3	Very high	96	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.03	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.1	170.5	-177.8	0	0	0	0	108.8	W4 I7 L11 K34 A35 I151 Q182 M183	W4-V18 HydrophobicContact CH2-CB 3.96Å; W4-V18 HydrophobicContact CH2-CG1 4.49Å; W4-V18 HydrophobicContact CH2-CG2 3.99Å; W4-V18 HydrophobicContact CZ3-CB 4.14Å; W4-V18 HydrophobicContact CZ3-CG1 4.17Å; W4-V18 HydrophobicContact CZ3-CG2 4.23Å; I7-V18 HydrophobicContact CG2-CG2 4.47Å; L11-V18 HydrophobicContact CD1-CG2 4.04Å; L11-V18 HydrophobicContact CD2-CG2 3.69Å; V18-K34 HydrophobicContact CG1-CB 4.41Å; V18-A35 CarbonylContact C-O 3.59Å; V18-A35 WeakPolarHBondContact CA-O 3.41Å; V18-I151 HydrophobicContact CG1-CD1 3.69Å; V18-I151 HydrophobicContact CG2-CD1 4.06Å; V18-Q182 WeakPolarHBondContact O-CG 3.49Å; V18-M183 HydrophobicContact CB-CB 4.23Å; V18-M183 HydrophobicContact CG1-CB 4.18Å; V18-M183 HydrophobicContact CG1-CG 4Å; V18-M183 HydrophobicContact CG1-SD 3.58Å; V18-M183 VanDerWaalsContact CG1-SD 3.58Å; V18-M183 PolarHBondContact O-N 2.8Å
19	V	98.6	Very high	96.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	159.2	176.5	-64.2	0	0	0	0	110.7	F21 K34 A35 L37 F49 R50 C53 G181	V19-F21 HydrophobicContact CG2-CE2 4.13Å; V19-K34 CarbonylContact O-C 3.42Å; V19-K34 VanDerWaalsContact O-CA 3.31Å; V19-K34 WeakPolarHBondContact O-CA 3.4Å; V19-A35 HydrophobicContact CG2-CB 4.15Å; V19-A35 PolarHBondContact N-O 3.26Å; V19-A35 PolarHBondContact O-N 3.45Å; V19-L37 HydrophobicContact CG1-CD1 3.76Å; V19-L37 HydrophobicContact CG1-CG 4.37Å; V19-L37 HydrophobicContact CG2-CD1 4.16Å; V19-L37 HydrophobicContact CG2-CD2 3.92Å; V19-L37 HydrophobicContact CG2-CG 4.06Å; V19-F49 HydrophobicContact CG2-CD1 4.27Å; V19-F49 HydrophobicContact CG2-CE1 3.91Å; V19-R50 HydrophobicContact CG1-CG 4.29Å; V19-C53 HydrophobicContact CB-CB 4.26Å; V19-C53 HydrophobicContact CG1-CB 4.01Å; V19-G181 CarbonylContact C-O 3.45Å; V19-G181 WeakPolarHBondContact CA-O 3.45Å; V19-G181 VanDerWaalsContact CB-O 3.29Å; V19-G181 WeakPolarHBondContact CB-O 3.5Å
20	F	98.4	Very high	96.8	Very high	44 Å²	44	49.5 Å²	49.5	19%	0.193	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	154.3	177.7	73.7	-89.2	0	0	0	111.6	E22 T32 F33 K34 Q179 C180 G181 M183	F20-E22 HydrophobicContact CD2-CG 4.18Å; F20-E22 HydrophobicContact CE2-CG 4.19Å; F20-T32 HydrophobicContact CB-CG2 4.27Å; F20-T32 HydrophobicContact CD2-CG2 4.42Å; F20-F33 WeakPolarHBondContact CA-O 3.21Å; F20-K34 HydrophobicContact CB-CG 4.38Å; F20-Q179 HydrophobicContact CE2-CG 3.89Å; F20-Q179 HydrophobicContact CZ-CG 4.21Å; F20-C180 WeakPolarHBondContact O-CA 3.33Å; F20-C180 WeakPolarHBondContact O-CB 3.48Å; F20-G181 WeakPolarHBondContact CD1-O 3.28Å; F20-G181 PolarHBondContact N-O 2.63Å; F20-G181 PolarHBondContact O-N 3.18Å; F20-M183 HydrophobicContact CB-CG 4.31Å; F20-M183 HydrophobicContact CD1-CG 4.09Å
21	F	98.7	Very high	97.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	117.6	176.6	-75.2	-107.4	0	0	0	109.3	V19 M23 T32 F33 F49 C53 Y66 F130 V177 C180	V19-F21 HydrophobicContact CG2-CE2 4.13Å; F21-M23 HydrophobicContact CB-CG 4.47Å; F21-M23 HydrophobicContact CB-SD 3.9Å; F21-M23 HydrophobicContact CD1-SD 4.43Å; F21-T32 CarbonylContact O-C 3.51Å; F21-T32 VanDerWaalsContact O-CA 3.25Å; F21-T32 WeakPolarHBondContact O-CA 3.39Å; F21-T32 WeakPolarHBondContact O-CG2 3.23Å; F21-F33 HydrophobicContact CB-CD1 3.85Å; F21-F33 HydrophobicContact CB-CD2 4.23Å; F21-F33 HydrophobicContact CB-CE1 3.35Å; F21-F33 HydrophobicContact CB-CE2 3.76Å; F21-F33 HydrophobicContact CB-CG 4.27Å; F21-F33 HydrophobicContact CB-CZ 3.3Å; F21-F33 HydrophobicContact CD1-CE1 4.46Å; F21-F33 AromaticContact CD1-CZ 3.91Å; F21-F33 HydrophobicContact CD1-CZ 3.91Å; F21-F33 HydrophobicContact CD2-CD2 4.34Å; F21-F33 AromaticContact CD2-CE2 3.48Å; F21-F33 HydrophobicContact CD2-CE2 3.48Å; F21-F33 VanDerWaalsContact CD2-CE2 3.48Å; F21-F33 AromaticContact CD2-CZ 3.6Å; F21-F33 HydrophobicContact CD2-CZ 3.6Å; F21-F33 HydrophobicContact CE2-CE2 4.26Å; F21-F33 HydrophobicContact CE2-CZ 4.4Å; F21-F33 AromaticContact CG-CE1 3.91Å; F21-F33 HydrophobicContact CG-CE1 3.91Å; F21-F33 AromaticContact CG-CE2 3.72Å; F21-F33 HydrophobicContact CG-CE2 3.72Å; F21-F33 AromaticContact CG-CZ 3.32Å; F21-F33 HydrophobicContact CG-CZ 3.32Å; F21-F33 PolarHBondContact N-O 2.91Å; F21-F33 PolarHBondContact O-N 2.85Å; F21-F49 AromaticContact CE2-CE1 3.69Å; F21-F49 HydrophobicContact CE2-CE1 3.69Å; F21-F49 AromaticContact CE2-CZ 3.81Å; F21-F49 HydrophobicContact CE2-CZ 3.81Å; F21-F49 AromaticContact CZ-CE1 3.74Å; F21-F49 HydrophobicContact CZ-CE1 3.74Å; F21-F49 AromaticContact CZ-CZ 3.49Å; F21-F49 HydrophobicContact CZ-CZ 3.49Å; F21-F49 VanDerWaalsContact CZ-CZ 3.49Å; F21-C53 VanDerWaalsContact CE2-SG 3.52Å; F21-C53 WeakPolarHBondContact CZ-SG 3.31Å; F21-Y66 HydrophobicContact CE1-CD2 4.05Å; F21-Y66 HydrophobicContact CE1-CG 4.12Å; F21-Y66 AromaticContact CZ-CD2 3.75Å; F21-Y66 HydrophobicContact CZ-CD2 3.75Å; F21-Y66 HydrophobicContact CZ-CE2 4.37Å; F21-Y66 HydrophobicContact CZ-CG 4.28Å; F21-F130 HydrophobicContact CE1-CZ 4.04Å; F21-F130 HydrophobicContact CZ-CZ 4.22Å; F21-V177 HydrophobicContact CD1-CB 4.38Å; F21-V177 HydrophobicContact CD1-CG1 3.62Å; F21-V177 HydrophobicContact CD1-CG2 3.79Å; F21-V177 HydrophobicContact CE1-CG1 4.2Å; F21-V177 HydrophobicContact CE1-CG2 4.18Å; F21-C180 HydrophobicContact CD1-CB 4.21Å; F21-C180 HydrophobicContact CE1-CB 4.33Å; F21-C180 HydrophobicContact CG-CB 4.4Å
22	E	98.6	Very high	97.3	Very high	89 Å²	89	49.2 Å²	49.2	42%	0.416	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.5	168.9	-59.4	-173.2	172.1	0	0	109.1	F20 T32 V177 A178 Q179	F20-E22 HydrophobicContact CD2-CG 4.18Å; F20-E22 HydrophobicContact CE2-CG 4.19Å; E22-T32 HydrophobicContact CG-CG2 4.22Å; E22-V177 CarbonylContact O-C 3.55Å; E22-A178 PolarHBondContact O-N 2.95Å; E22-Q179 HydrophobicContact CB-CB 4.07Å; E22-Q179 HydrophobicContact CG-CB 4.07Å; E22-Q179 PolarHBondContact N-O 2.78Å; E22-Q179 WeakPolarHBondContact OE2-CB 3.47Å
23	M	98.7	Very high	97.5	Very high	1 Å²	1	44 Å²	44	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.8	-170.1	-59.2	-54.4	-52.9	0	0	110.8	F21 L30 G31 F33 F71 T156 I160 I175 V177	F21-M23 HydrophobicContact CB-CG 4.47Å; F21-M23 HydrophobicContact CB-SD 3.9Å; F21-M23 HydrophobicContact CD1-SD 4.43Å; M23-L30 HydrophobicContact CB-CB 4.08Å; M23-L30 HydrophobicContact CB-CD1 4.41Å; M23-L30 PolarHBondContact O-N 2.81Å; M23-G31 PolarHBondContact N-O 2.83Å; M23-F33 HydrophobicContact CG-CD1 3.84Å; M23-F33 HydrophobicContact CG-CE1 3.71Å; M23-F33 HydrophobicContact SD-CD1 4.48Å; M23-F33 HydrophobicContact SD-CE1 3.77Å; M23-F71 HydrophobicContact CE-CD2 3.4Å; M23-F71 VanDerWaalsContact CE-CD2 3.4Å; M23-F71 HydrophobicContact CE-CE2 3.32Å; M23-F71 HydrophobicContact SD-CE2 4Å; M23-T156 HydrophobicContact CB-CG2 3.8Å; M23-T156 HydrophobicContact CG-CG2 3.8Å; M23-I160 HydrophobicContact CB-CD1 4.33Å; M23-I160 HydrophobicContact CE-CD1 3.94Å; M23-I160 HydrophobicContact CG-CD1 3.99Å; M23-I175 HydrophobicContact CE-CG2 3.79Å; M23-V177 HydrophobicContact CE-CG2 3.96Å; M23-V177 HydrophobicContact SD-CB 4.4Å; M23-V177 HydrophobicContact SD-CG2 3.91Å
24	T	98.5	Very high	97.6	Very high	22 Å²	22	41.9 Å²	41.9	14%	0.135	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.9	173.8	60.3	0	0	0	0	111.1	A28 I175 T176 A178	T24-A28 CarbonylContact C-O 3.52Å; T24-A28 WeakPolarHBondContact CA-O 3.49Å; T24-A28 WeakPolarHBondContact CB-O 3.29Å; T24-I175 CarbonylContact O-C 3.38Å; T24-I175 VanDerWaalsContact O-CA 3.27Å; T24-I175 WeakPolarHBondContact O-CA 3.38Å; T24-T176 PolarHBondContact N-O 3.16Å; T24-T176 PolarHBondContact O-N 2.88Å; T24-T176 PolarHBondContact OG1-O 2.81Å; T24-A178 HydrophobicContact CG2-CB 3.68Å
25	A	97.8	Very high	97.8	Very high	18 Å²	18	37.2 Å²	37.2	15%	0.149	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	115	166.8	0	0	0	0	0	108.5	G27 A28 L30 P174	A25-G27 PolarHBondContact O-N 3.39Å; A25-G27 VanDerWaalsContact O-N 3.15Å; A25-A28 PolarHBondContact N-O 2.86Å; A25-A28 PolarHBondContact O-N 2.82Å; A25-L30 HydrophobicContact CB-CD1 4.02Å; A25-L30 HydrophobicContact CB-CD2 3.84Å; A25-L30 HydrophobicContact CB-CG 3.97Å; A25-P174 WeakPolarHBondContact CA-O 3.46Å
26	A	95	Very high	97.9	Very high	66 Å²	66	29.9 Å²	29.9	55%	0.545	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	38.8	-174.5	0	0	0	0	0	113.4	A28 L173 P174	A26-A28 VanDerWaalsContact C-N 3.31Å; A26-A28 PolarHBondContact O-N 2.81Å; A26-L173 HydrophobicContact CB-CB 4.44Å; A26-L173 HydrophobicContact CB-CD2 4.28Å; A26-P174 HydrophobicContact CB-CG 4.49Å; A26-P174 PolarHBondContact N-O 2.85Å
27	G	94.5	Very high	97.9	Very high	64 Å²	64	29.5 Å²	29.5	66%	0.66	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	85	-14.7	-179.4	0	0	0	0	0	115.6	A25	A25-G27 PolarHBondContact O-N 3.39Å; A25-G27 VanDerWaalsContact O-N 3.15Å
28	A	97.3	Very high	97.9	Very high	64 Å²	64	29 Å²	29	53%	0.529	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	132.9	173.6	0	0	0	0	0	110.7	T24 A25 A26 L30	T24-A28 CarbonylContact C-O 3.52Å; T24-A28 WeakPolarHBondContact CA-O 3.49Å; T24-A28 WeakPolarHBondContact CB-O 3.29Å; A25-A28 PolarHBondContact N-O 2.86Å; A25-A28 PolarHBondContact O-N 2.82Å; A26-A28 VanDerWaalsContact C-N 3.31Å; A26-A28 PolarHBondContact O-N 2.81Å; A28-L30 PolarHBondContact O-N 3.34Å
29	S	97.8	Very high	97.9	Very high	96 Å²	96	30.1 Å²	30.1	67%	0.671	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	126.5	179.8	-177	0	0	0	0	112	G31	S29-G31 PolarHBondContact OG-N 3.04Å
30	L	98.1	Very high	97.9	Very high	28 Å²	28	33 Å²	33	15%	0.147	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-25.8	167.7	-65.5	-179.6	0	0	0	111.4	M23 A25 A28 T156 K159 I160 I175	M23-L30 HydrophobicContact CB-CB 4.08Å; M23-L30 HydrophobicContact CB-CD1 4.41Å; M23-L30 PolarHBondContact O-N 2.81Å; A25-L30 HydrophobicContact CB-CD1 4.02Å; A25-L30 HydrophobicContact CB-CD2 3.84Å; A25-L30 HydrophobicContact CB-CG 3.97Å; A28-L30 PolarHBondContact O-N 3.34Å; L30-T156 HydrophobicContact CB-CG2 4.35Å; L30-K159 HydrophobicContact CD2-CB 4.38Å; L30-K159 WeakPolarHBondContact O-CD 3.15Å; L30-K159 PolarHBondContact O-NZ 3.18Å; L30-I160 HydrophobicContact CD1-CG1 3.8Å; L30-I175 HydrophobicContact CD1-CG2 4.08Å
31	G	98.2	Very high	97.9	Very high	19 Å²	19	32.1 Å²	32.1	20%	0.196	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.9	-172.6	-176	0	0	0	0	0	111.8	M23 S29	M23-G31 PolarHBondContact N-O 2.83Å; S29-G31 PolarHBondContact OG-N 3.04Å
32	T	98.3	Very high	97.9	Very high	57 Å²	57	32.1 Å²	32.1	35%	0.35	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	145.1	178.2	-52.5	0	0	0	0	109	F20 F21 E22 G153 T156	F20-T32 HydrophobicContact CB-CG2 4.27Å; F20-T32 HydrophobicContact CD2-CG2 4.42Å; F21-T32 CarbonylContact O-C 3.51Å; F21-T32 VanDerWaalsContact O-CA 3.25Å; F21-T32 WeakPolarHBondContact O-CA 3.39Å; F21-T32 WeakPolarHBondContact O-CG2 3.23Å; E22-T32 HydrophobicContact CG-CG2 4.22Å; T32-G153 WeakPolarHBondContact O-CA 3.4Å; T32-T156 PolarHBondContact N-OG1 3.02Å; T32-T156 PolarHBondContact O-OG1 3.43Å
33	F	98.2	Very high	97.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.1	161.3	69.9	-96.9	0	0	0	110	F20 F21 M23 F71 I132 V150 D152 T156 V157	F20-F33 WeakPolarHBondContact CA-O 3.21Å; F21-F33 HydrophobicContact CB-CD1 3.85Å; F21-F33 HydrophobicContact CB-CD2 4.23Å; F21-F33 HydrophobicContact CB-CE1 3.35Å; F21-F33 HydrophobicContact CB-CE2 3.76Å; F21-F33 HydrophobicContact CB-CG 4.27Å; F21-F33 HydrophobicContact CB-CZ 3.3Å; F21-F33 HydrophobicContact CD1-CE1 4.46Å; F21-F33 AromaticContact CD1-CZ 3.91Å; F21-F33 HydrophobicContact CD1-CZ 3.91Å; F21-F33 HydrophobicContact CD2-CD2 4.34Å; F21-F33 AromaticContact CD2-CE2 3.48Å; F21-F33 HydrophobicContact CD2-CE2 3.48Å; F21-F33 VanDerWaalsContact CD2-CE2 3.48Å; F21-F33 AromaticContact CD2-CZ 3.6Å; F21-F33 HydrophobicContact CD2-CZ 3.6Å; F21-F33 HydrophobicContact CE2-CE2 4.26Å; F21-F33 HydrophobicContact CE2-CZ 4.4Å; F21-F33 AromaticContact CG-CE1 3.91Å; F21-F33 HydrophobicContact CG-CE1 3.91Å; F21-F33 AromaticContact CG-CE2 3.72Å; F21-F33 HydrophobicContact CG-CE2 3.72Å; F21-F33 AromaticContact CG-CZ 3.32Å; F21-F33 HydrophobicContact CG-CZ 3.32Å; F21-F33 PolarHBondContact N-O 2.91Å; F21-F33 PolarHBondContact O-N 2.85Å; M23-F33 HydrophobicContact CG-CD1 3.84Å; M23-F33 HydrophobicContact CG-CE1 3.71Å; M23-F33 HydrophobicContact SD-CD1 4.48Å; M23-F33 HydrophobicContact SD-CE1 3.77Å; F33-F71 HydrophobicContact CZ-CZ 4.44Å; F33-I132 HydrophobicContact CE1-CD1 4.38Å; F33-I132 HydrophobicContact CE2-CD1 3.94Å; F33-I132 HydrophobicContact CZ-CD1 3.8Å; F33-V150 HydrophobicContact CB-CG1 4.39Å; F33-V150 HydrophobicContact CD2-CG2 4.38Å; F33-D152 WeakPolarHBondContact CA-O 3.27Å; F33-T156 HydrophobicContact CD1-CG2 4.24Å; F33-V157 HydrophobicContact CB-CG2 4.39Å; F33-V157 HydrophobicContact CD1-CG2 4.32Å; F33-V157 HydrophobicContact CG-CG2 4.29Å
34	K	97.9	Very high	97.9	Very high	25 Å²	25	37.3 Å²	37.3	11%	0.109	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139.1	176.7	-55.4	167	-176	148	0	108	D3 I7 V18 V19 F20 V150 I151 D152 M183	D3-K34 IonicContact OD2-NZ 3.77Å; D3-K34 PolarHBondContact OD2-NZ 3.15Å; I7-K34 HydrophobicContact CD1-CD 3.59Å; V18-K34 HydrophobicContact CG1-CB 4.41Å; V19-K34 CarbonylContact O-C 3.42Å; V19-K34 VanDerWaalsContact O-CA 3.31Å; V19-K34 WeakPolarHBondContact O-CA 3.4Å; F20-K34 HydrophobicContact CB-CG 4.38Å; K34-V150 WeakPolarHBondContact O-CA 3.47Å; K34-I151 HydrophobicContact CB-CG1 4.03Å; K34-I151 PolarHBondContact O-N 3.11Å; K34-D152 HydrophobicContact CB-CB 4.14Å; K34-D152 HydrophobicContact CD-CB 3.9Å; K34-D152 WeakPolarHBondContact CD-OD2 3.47Å; K34-D152 WeakPolarHBondContact CE-OD2 3.4Å; K34-D152 HydrophobicContact CG-CB 4.3Å; K34-D152 PolarHBondContact N-O 3.06Å; K34-D152 IonicContact NZ-OD2 2.81Å; K34-D152 PolarHBondContact NZ-OD2 3.14Å; K34-D152 PolarHBondContact O-N 3.3Å; K34-M183 HydrophobicContact CB-SD 4.13Å; K34-M183 HydrophobicContact CD-CE 3.91Å; K34-M183 HydrophobicContact CD-SD 3.42Å; K34-M183 WeakPolarHBondContact CD-SD 3.38Å; K34-M183 HydrophobicContact CG-SD 3.66Å
35	A	98.4	Very high	97.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135	-179.6	0	0	0	0	0	111.1	V18 V19 L116 R149	V18-A35 CarbonylContact C-O 3.59Å; V18-A35 WeakPolarHBondContact CA-O 3.41Å; V19-A35 HydrophobicContact CG2-CB 4.15Å; V19-A35 PolarHBondContact N-O 3.26Å; V19-A35 PolarHBondContact O-N 3.45Å; A35-L116 HydrophobicContact CB-CD1 3.97Å; A35-L116 HydrophobicContact CB-CD2 3.8Å; A35-R149 CarbonylContact C-O 3.47Å; A35-R149 WeakPolarHBondContact CA-O 3.31Å; A35-R149 WeakPolarHBondContact CB-O 3.3Å
36	E	98.6	Very high	97.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	131.9	166.2	177.3	-177.2	-174.1	0	0	108.7	L11 R12 H13 N16 F38 G148 R149 I151	L11-E36 HydrophobicContact CD2-CB 4.03Å; L11-E36 HydrophobicContact CD2-CG 3.94Å; R12-E36 WeakPolarHBondContact CA-OE1 3.39Å; R12-E36 WeakPolarHBondContact CB-OE1 3.49Å; R12-E36 PolarHBondContact N-OE1 2.77Å; R12-E36 PolarHBondContact N-OE2 3.19Å; H13-E36 PolarHBondContact N-OE1 3.26Å; N16-E36 HydrophobicContact CB-CG 3.82Å; N16-E36 PolarHBondContact ND2-OE1 2.82Å; E36-F38 HydrophobicContact CG-CD1 4.16Å; E36-F38 HydrophobicContact CG-CE1 4.13Å; E36-G148 CarbonylContact O-C 3.45Å; E36-G148 WeakPolarHBondContact O-CA 3.43Å; E36-R149 HydrophobicContact CB-CG 4.32Å; E36-R149 PolarHBondContact N-O 3.12Å; E36-R149 PolarHBondContact O-N 2.88Å; E36-R149 IonicContact OE2-CZ 3.32Å; E36-R149 VanDerWaalsContact OE2-CZ 3.32Å; E36-R149 IonicContact OE2-NE 2.9Å; E36-R149 PolarHBondContact OE2-NE 3.08Å; E36-R149 IonicContact OE2-NH2 2.82Å; E36-R149 PolarHBondContact OE2-NH2 2.88Å; E36-I151 HydrophobicContact CB-CD1 4.31Å; E36-I151 HydrophobicContact CB-CG2 3.65Å
37	L	98.7	Very high	98.1	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.7	172.8	-52.4	-177	0	0	0	109.2	N16 P17 V19 A39 A46 F49 R50 L116 F147	N16-L37 WeakPolarHBondContact CB-O 3.22Å; N16-L37 PolarHBondContact OD1-O 2.81Å; P17-L37 HydrophobicContact CB-CB 4.38Å; P17-L37 HydrophobicContact CB-CD1 4.34Å; P17-L37 PolarHBondContact O-N 3.06Å; V19-L37 HydrophobicContact CG1-CD1 3.76Å; V19-L37 HydrophobicContact CG1-CG 4.37Å; V19-L37 HydrophobicContact CG2-CD1 4.16Å; V19-L37 HydrophobicContact CG2-CD2 3.92Å; V19-L37 HydrophobicContact CG2-CG 4.06Å; L37-A39 PolarHBondContact O-N 3.32Å; L37-A46 HydrophobicContact CB-CB 4Å; L37-F49 HydrophobicContact CD1-CB 4.45Å; L37-F49 HydrophobicContact CD1-CD1 3.95Å; L37-F49 HydrophobicContact CD2-CD1 3.57Å; L37-F49 HydrophobicContact CD2-CE1 4.02Å; L37-F49 HydrophobicContact CD2-CG 4.37Å; L37-F49 HydrophobicContact CG-CD1 4.42Å; L37-R50 HydrophobicContact CD1-CB 3.78Å; L37-R50 HydrophobicContact CD1-CG 4.34Å; L37-L116 HydrophobicContact CD2-CD2 4.35Å; L37-F147 HydrophobicContact CD2-CD2 4.15Å; L37-F147 HydrophobicContact CD2-CE2 4.09Å
38	F	98.5	Very high	98.3	Very high	10 Å²	10	32 Å²	32	4%	0.044	19%	0.193	C	C	.	.			trans	-79.9	59.6	-175.6	-54.6	-41.5	0	0	0	111.9	R12 E36 D40 V41 V42 L108 V146 F147 G148 R149	R12-F38 HydrophobicContact CB-CE1 4.49Å; E36-F38 HydrophobicContact CG-CD1 4.16Å; E36-F38 HydrophobicContact CG-CE1 4.13Å; F38-D40 PolarHBondContact O-N 2.64Å; F38-V41 HydrophobicContact CB-CB 4.48Å; F38-V41 PolarHBondContact O-N 3.4Å; F38-V42 HydrophobicContact CB-CG2 4.37Å; F38-V42 WeakPolarHBondContact O-CG2 3.22Å; F38-V42 PolarHBondContact O-N 3.12Å; F38-L108 HydrophobicContact CB-CD1 4.11Å; F38-L108 HydrophobicContact CD2-CD1 3.29Å; F38-L108 HydrophobicContact CE2-CD1 3.92Å; F38-L108 HydrophobicContact CG-CD1 3.99Å; F38-V146 HydrophobicContact CD2-CG1 4.45Å; F38-V146 HydrophobicContact CE2-CG1 4.15Å; F38-F147 VanDerWaalsContact CD2-C 3.46Å; F38-F147 PolarHBondContact N-O 2.82Å; F38-G148 VanDerWaalsContact CD2-CA 3.42Å; F38-G148 VanDerWaalsContact CD2-N 3.28Å; F38-G148 WeakPolarHBondContact CE2-O 3.44Å; F38-R149 HydrophobicContact CE1-CG 3.89Å; F38-R149 HydrophobicContact CZ-CB 3.81Å; F38-R149 HydrophobicContact CZ-CG 3.61Å
39	A	98.4	Very high	98.4	Very high	29 Å²	29	28.9 Å²	28.9	24%	0.24	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.8	179.5	0	0	0	0	0	112.7	N16 P17 L37 V41 P43 A46	N16-A39 PolarHBondContact OD1-N 3.34Å; P17-A39 HydrophobicContact CG-CB 4.12Å; L37-A39 PolarHBondContact O-N 3.32Å; A39-V41 VanDerWaalsContact C-N 3.26Å; A39-V41 PolarHBondContact O-N 3.34Å; A39-P43 WeakPolarHBondContact O-CA 3.24Å; A39-P43 WeakPolarHBondContact O-CB 3.32Å; A39-P43 WeakPolarHBondContact O-CD 3.02Å; A39-A46 HydrophobicContact CB-CB 3.92Å
40	D	98	Very high	98.4	Very high	62 Å²	62	25.7 Å²	25.7	33%	0.332	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-15.8	173.8	74	-64.5	0	0	0	114.1	R12 H13 N16 F38	R12-D40 IonicContact CZ-OD2 3.3Å; R12-D40 VanDerWaalsContact CZ-OD2 3.3Å; R12-D40 IonicContact NH1-OD1 2.8Å; R12-D40 PolarHBondContact NH1-OD1 3.36Å; R12-D40 IonicContact NH1-OD2 2.63Å; R12-D40 PolarHBondContact NH1-OD2 3.21Å; R12-D40 IonicContact NH2-OD2 3.18Å; R12-D40 PolarHBondContact NH2-OD2 3.27Å; H13-D40 HydrophobicContact CB-CB 4.13Å; N16-D40 PolarHBondContact ND2-OD1 2.88Å; N16-D40 PolarHBondContact OD1-N 3.39Å; N16-D40 PolarHBondContact OD1-OD1 2.81Å; F38-D40 PolarHBondContact O-N 2.64Å
41	V	98.1	Very high	98.4	Very high	24 Å²	24	26.2 Å²	26.2	15%	0.145	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-45	178.8	-174.5	0	0	0	0	112	R12 F38 A39 P43 E107 L108	R12-V41 VanDerWaalsContact NH2-CG2 3.26Å; F38-V41 HydrophobicContact CB-CB 4.48Å; F38-V41 PolarHBondContact O-N 3.4Å; A39-V41 VanDerWaalsContact C-N 3.26Å; A39-V41 PolarHBondContact O-N 3.34Å; V41-P43 VanDerWaalsContact C-CD 3.44Å; V41-P43 WeakPolarHBondContact O-CD 3.49Å; V41-E107 HydrophobicContact CG1-CB 4.42Å; V41-L108 HydrophobicContact CB-CD1 4.29Å; V41-L108 HydrophobicContact CG1-CD1 4.16Å; V41-L108 HydrophobicContact CG1-CG 4.23Å; V41-L108 HydrophobicContact CG2-CD1 4.49Å
42	V	98.4	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.			trans	-126.1	64.7	-177.2	-70.3	0	0	0	0	111.1	F38 K44 T45 A46 E104 C105 V145 F147	F38-V42 HydrophobicContact CB-CG2 4.37Å; F38-V42 WeakPolarHBondContact O-CG2 3.22Å; F38-V42 PolarHBondContact O-N 3.12Å; V42-K44 VanDerWaalsContact C-N 3.3Å; V42-K44 PolarHBondContact O-N 3.15Å; V42-T45 PolarHBondContact O-N 3Å; V42-A46 VanDerWaalsContact O-CB 3.25Å; V42-A46 WeakPolarHBondContact O-CB 3.44Å; V42-A46 PolarHBondContact O-N 3.15Å; V42-E104 VanDerWaalsContact C-CD 3.48Å; V42-E104 VanDerWaalsContact CA-CD 3.46Å; V42-E104 VanDerWaalsContact CA-OE2 3.23Å; V42-E104 WeakPolarHBondContact CA-OE2 3.35Å; V42-E104 HydrophobicContact CB-CG 4.37Å; V42-E104 VanDerWaalsContact CB-OE2 3.31Å; V42-E104 WeakPolarHBondContact CB-OE2 3.5Å; V42-E104 HydrophobicContact CG1-CB 4.24Å; V42-E104 HydrophobicContact CG1-CG 4.24Å; V42-C105 WeakPolarHBondContact CG1-SG 3.42Å; V42-V145 HydrophobicContact CG1-CG1 3.94Å; V42-F147 HydrophobicContact CG2-CB 3.65Å
43	P	98.4	Very high	98.5	Very high	68 Å²	68	22.8 Å²	22.8	44%	0.442	12%	0.118	S	C	.	.	H	α-helix	trans	-56.6	-38.3	-173.9	20.7	-32.9	0	0	0	113.4	A39 V41 E47 E104	A39-P43 WeakPolarHBondContact O-CA 3.24Å; A39-P43 WeakPolarHBondContact O-CB 3.32Å; A39-P43 WeakPolarHBondContact O-CD 3.02Å; V41-P43 VanDerWaalsContact C-CD 3.44Å; V41-P43 WeakPolarHBondContact O-CD 3.49Å; P43-E47 WeakPolarHBondContact O-CB 3.46Å; P43-E47 PolarHBondContact O-N 3.42Å; P43-E104 WeakPolarHBondContact CD-OE1 3.37Å; P43-E104 WeakPolarHBondContact CG-OE1 3Å
44	K	98.4	Very high	98.5	Very high	132 Å²	132	25 Å²	25	57%	0.574	13%	0.131	S	C	*	.	H	α-helix	trans	-69.9	-44.2	-179.3	-64.7	177.4	-179.9	176.2	0	111.6	V42 E47 N48 Y97 E104	V42-K44 VanDerWaalsContact C-N 3.3Å; V42-K44 PolarHBondContact O-N 3.15Å; K44-E47 PolarHBondContact O-N 2.95Å; K44-N48 WeakPolarHBondContact O-CB 3.21Å; K44-N48 PolarHBondContact O-N 3.37Å; K44-Y97 VanDerWaalsContact CA-OH 3.28Å; K44-Y97 WeakPolarHBondContact CA-OH 3.41Å; K44-Y97 HydrophobicContact CB-CE2 4.16Å; K44-Y97 WeakPolarHBondContact O-CE2 3.18Å; K44-Y97 PolarHBondContact O-OH 3.39Å; K44-E104 WeakPolarHBondContact CB-OE1 3.29Å; K44-E104 WeakPolarHBondContact CB-OE2 3.16Å; K44-E104 WeakPolarHBondContact CG-OE1 3.5Å; K44-E104 PolarHBondContact N-OE1 3.4Å; K44-E104 PolarHBondContact N-OE2 2.8Å; K44-E104 VanDerWaalsContact N-OE2 3.12Å
45	T	98.6	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-67.7	-45.1	-179.1	-48.5	0	0	0	0	110.6	V42 E47 N48 F49 F101 E104 M118 V145 F147	V42-T45 PolarHBondContact O-N 3Å; T45-E47 PolarHBondContact O-N 3.08Å; T45-N48 PolarHBondContact O-N 3.28Å; T45-F49 PolarHBondContact O-N 2.94Å; T45-F49 VanDerWaalsContact O-N 3.09Å; T45-F101 HydrophobicContact CG2-CE2 4.23Å; T45-F101 HydrophobicContact CG2-CZ 4.17Å; T45-E104 PolarHBondContact N-OE2 3.02Å; T45-E104 PolarHBondContact OG1-OE2 2.99Å; T45-M118 HydrophobicContact CG2-CG 3.51Å; T45-M118 HydrophobicContact CG2-SD 3.8Å; T45-V145 HydrophobicContact CG2-CG1 4.2Å; T45-F147 HydrophobicContact CG2-CB 3.61Å; T45-F147 HydrophobicContact CG2-CD1 4.03Å; T45-F147 HydrophobicContact CG2-CG 3.88Å
46	A	98.7	Very high	98.4	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-43.8	175.3	0	0	0	0	0	111.6	L37 A39 V42 F49 R50	L37-A46 HydrophobicContact CB-CB 4Å; A39-A46 HydrophobicContact CB-CB 3.92Å; V42-A46 VanDerWaalsContact O-CB 3.25Å; V42-A46 WeakPolarHBondContact O-CB 3.44Å; V42-A46 PolarHBondContact O-N 3.15Å; A46-F49 PolarHBondContact O-N 3.28Å; A46-R50 WeakPolarHBondContact O-CB 3.29Å; A46-R50 PolarHBondContact O-N 2.99Å
47	E	98.7	Very high	98.3	Very high	56 Å²	56	31.9 Å²	31.9	26%	0.262	17%	0.168	S	C	.	.	H	α-helix	trans	-67.7	-39.5	179.6	-178.4	58.9	-167.4	0	0	112.6	P43 K44 T45 F49 R50 Q51 I96	P43-E47 WeakPolarHBondContact O-CB 3.46Å; P43-E47 PolarHBondContact O-N 3.42Å; K44-E47 PolarHBondContact O-N 2.95Å; T45-E47 PolarHBondContact O-N 3.08Å; E47-F49 VanDerWaalsContact C-N 3.33Å; E47-F49 PolarHBondContact O-N 3.08Å; E47-R50 PolarHBondContact O-N 3.17Å; E47-R50 IonicContact OE1-CZ 3.64Å; E47-R50 IonicContact OE1-NE 3.68Å; E47-R50 IonicContact OE1-NH2 2.76Å; E47-R50 PolarHBondContact OE1-NH2 3.49Å; E47-R50 IonicContact OE2-CZ 2.71Å; E47-R50 IonicContact OE2-NE 3.18Å; E47-R50 PolarHBondContact OE2-NE 3.43Å; E47-R50 IonicContact OE2-NH2 2.79Å; E47-R50 PolarHBondContact OE2-NH2 3.08Å; E47-Q51 PolarHBondContact O-N 3.17Å; E47-Q51 WeakPolarHBondContact OE1-CG 3.35Å; E47-Q51 PolarHBondContact OE1-NE2 3.48Å; E47-I96 HydrophobicContact CG-CD1 3.98Å
48	N	98.7	Very high	98.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-55.5	-50.4	171.5	172.6	69.4	0	0	0	111.1	K44 T45 L52 S95 I96 Y97 F101 G127	K44-N48 WeakPolarHBondContact O-CB 3.21Å; K44-N48 PolarHBondContact O-N 3.37Å; T45-N48 PolarHBondContact O-N 3.28Å; N48-L52 VanDerWaalsContact O-CG 3.28Å; N48-L52 WeakPolarHBondContact O-CG 3.2Å; N48-L52 PolarHBondContact O-N 3.06Å; N48-S95 WeakPolarHBondContact OD1-CA 3.46Å; N48-S95 VanDerWaalsContact OD1-CB 3.29Å; N48-S95 WeakPolarHBondContact OD1-CB 3.46Å; N48-I96 HydrophobicContact CB-CD1 4.3Å; N48-I96 HydrophobicContact CB-CG1 4.04Å; N48-I96 PolarHBondContact OD1-N 2.91Å; N48-Y97 HydrophobicContact CB-CE2 3.9Å; N48-F101 HydrophobicContact CB-CE1 4.28Å; N48-F101 HydrophobicContact CB-CZ 4.3Å; N48-G127 PolarHBondContact ND2-O 3.23Å
49	F	98.8	Very high	97.8	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-44	179.9	-165.5	-93.1	0	0	0	112.2	V19 F21 L37 T45 A46 E47 L52 C53 Y66 L116 F130 F147	V19-F49 HydrophobicContact CG2-CD1 4.27Å; V19-F49 HydrophobicContact CG2-CE1 3.91Å; F21-F49 AromaticContact CE2-CE1 3.69Å; F21-F49 HydrophobicContact CE2-CE1 3.69Å; F21-F49 AromaticContact CE2-CZ 3.81Å; F21-F49 HydrophobicContact CE2-CZ 3.81Å; F21-F49 AromaticContact CZ-CE1 3.74Å; F21-F49 HydrophobicContact CZ-CE1 3.74Å; F21-F49 AromaticContact CZ-CZ 3.49Å; F21-F49 HydrophobicContact CZ-CZ 3.49Å; F21-F49 VanDerWaalsContact CZ-CZ 3.49Å; L37-F49 HydrophobicContact CD1-CB 4.45Å; L37-F49 HydrophobicContact CD1-CD1 3.95Å; L37-F49 HydrophobicContact CD2-CD1 3.57Å; L37-F49 HydrophobicContact CD2-CE1 4.02Å; L37-F49 HydrophobicContact CD2-CG 4.37Å; L37-F49 HydrophobicContact CG-CD1 4.42Å; T45-F49 PolarHBondContact O-N 2.94Å; T45-F49 VanDerWaalsContact O-N 3.09Å; A46-F49 PolarHBondContact O-N 3.28Å; E47-F49 VanDerWaalsContact C-N 3.33Å; E47-F49 PolarHBondContact O-N 3.08Å; F49-L52 PolarHBondContact O-N 3.19Å; F49-C53 VanDerWaalsContact CE1-SG 3.52Å; F49-C53 PolarHBondContact O-N 2.93Å; F49-C53 PolarHBondContact O-SG 2.92Å; F49-Y66 HydrophobicContact CD1-CE2 4.32Å; F49-Y66 AromaticContact CD2-CE2 3.61Å; F49-Y66 HydrophobicContact CD2-CE2 3.61Å; F49-Y66 AromaticContact CD2-CZ 3.73Å; F49-Y66 WeakPolarHBondContact CD2-OH 3.39Å; F49-Y66 HydrophobicContact CE1-CE2 4.29Å; F49-Y66 HydrophobicContact CE2-CD2 4.47Å; F49-Y66 AromaticContact CE2-CE2 3.54Å; F49-Y66 HydrophobicContact CE2-CE2 3.54Å; F49-Y66 AromaticContact CE2-CZ 3.71Å; F49-Y66 WeakPolarHBondContact CE2-OH 3.42Å; F49-Y66 HydrophobicContact CG-CE2 4.02Å; F49-Y66 HydrophobicContact CZ-CD2 4.48Å; F49-Y66 AromaticContact CZ-CE2 3.91Å; F49-Y66 HydrophobicContact CZ-CE2 3.91Å; F49-L116 HydrophobicContact CE1-CD2 4.01Å; F49-L116 HydrophobicContact CZ-CD2 3.93Å; F49-F130 HydrophobicContact CD2-CD1 4.47Å; F49-F130 HydrophobicContact CE2-CB 4.02Å; F49-F130 AromaticContact CE2-CD1 3.5Å; F49-F130 HydrophobicContact CE2-CD1 3.5Å; F49-F130 AromaticContact CE2-CD2 3.91Å; F49-F130 HydrophobicContact CE2-CD2 3.91Å; F49-F130 AromaticContact CE2-CE1 3.81Å; F49-F130 HydrophobicContact CE2-CE1 3.81Å; F49-F130 HydrophobicContact CE2-CE2 4.2Å; F49-F130 AromaticContact CE2-CG 3.54Å; F49-F130 HydrophobicContact CE2-CG 3.54Å; F49-F130 HydrophobicContact CE2-CZ 4.14Å; F49-F130 HydrophobicContact CZ-CD1 4.24Å; F49-F130 HydrophobicContact CZ-CD2 4.17Å; F49-F130 HydrophobicContact CZ-CE1 4.13Å; F49-F130 HydrophobicContact CZ-CE2 4.08Å; F49-F130 HydrophobicContact CZ-CG 4.24Å; F49-F130 HydrophobicContact CZ-CZ 4.05Å; F49-F147 HydrophobicContact CB-CD2 4.27Å; F49-F147 HydrophobicContact CB-CE2 3.82Å; F49-F147 HydrophobicContact CB-CZ 4.49Å; F49-F147 AromaticContact CD1-CE2 3.84Å; F49-F147 HydrophobicContact CD1-CE2 3.84Å; F49-F147 AromaticContact CD2-CE2 3.38Å; F49-F147 HydrophobicContact CD2-CE2 3.38Å; F49-F147 AromaticContact CD2-CZ 3.37Å; F49-F147 HydrophobicContact CD2-CZ 3.37Å; F49-F147 HydrophobicContact CE1-CE2 4.2Å; F49-F147 AromaticContact CE2-CE2 3.81Å; F49-F147 HydrophobicContact CE2-CE2 3.81Å; F49-F147 AromaticContact CE2-CZ 3.58Å; F49-F147 HydrophobicContact CE2-CZ 3.58Å; F49-F147 HydrophobicContact CG-CD2 4.28Å; F49-F147 AromaticContact CG-CE2 3.39Å; F49-F147 HydrophobicContact CG-CE2 3.39Å; F49-F147 AromaticContact CG-CZ 3.92Å; F49-F147 HydrophobicContact CG-CZ 3.92Å; F49-F147 HydrophobicContact CZ-CE2 4.19Å; F49-F147 HydrophobicContact CZ-CZ 4.25Å
50	R	98.7	Very high	97.5	Very high	28 Å²	28	50 Å²	50	11%	0.106	24%	0.244	C	C	.	.	H	α-helix	trans	-59.6	-48.6	179.9	-167.6	-165.1	69.7	67.5	9.9	111.7	P17 V19 L37 A46 E47 L52 C53 T54 E56 Q182	P17-R50 HydrophobicContact CB-CG 4.35Å; V19-R50 HydrophobicContact CG1-CG 4.29Å; L37-R50 HydrophobicContact CD1-CB 3.78Å; L37-R50 HydrophobicContact CD1-CG 4.34Å; A46-R50 WeakPolarHBondContact O-CB 3.29Å; A46-R50 PolarHBondContact O-N 2.99Å; E47-R50 PolarHBondContact O-N 3.17Å; E47-R50 IonicContact OE1-CZ 3.64Å; E47-R50 IonicContact OE1-NE 3.68Å; E47-R50 IonicContact OE1-NH2 2.76Å; E47-R50 PolarHBondContact OE1-NH2 3.49Å; E47-R50 IonicContact OE2-CZ 2.71Å; E47-R50 IonicContact OE2-NE 3.18Å; E47-R50 PolarHBondContact OE2-NE 3.43Å; E47-R50 IonicContact OE2-NH2 2.79Å; E47-R50 PolarHBondContact OE2-NH2 3.08Å; R50-L52 VanDerWaalsContact C-N 3.3Å; R50-L52 PolarHBondContact O-N 3.45Å; R50-C53 WeakPolarHBondContact O-CB 3.22Å; R50-C53 PolarHBondContact O-N 3.45Å; R50-C53 VanDerWaalsContact O-N 3.08Å; R50-T54 WeakPolarHBondContact O-CG2 3.41Å; R50-T54 PolarHBondContact O-N 2.87Å; R50-T54 PolarHBondContact O-OG1 3.49Å; R50-E56 IonicContact CZ-OE2 3.51Å; R50-E56 IonicContact NH1-OE1 2.8Å; R50-E56 IonicContact NH1-OE2 2.77Å; R50-E56 PolarHBondContact NH1-OE2 3.08Å; R50-E56 IonicContact NH2-OE2 3.4Å; R50-E56 PolarHBondContact NH2-OE2 3.14Å; R50-Q182 VanDerWaalsContact CD-OE1 3.32Å
51	Q	98.6	Very high	97.2	Very high	40 Å²	40	49.9 Å²	49.9	19%	0.187	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-34.7	178.8	-74.5	-166	27.6	0	0	112.7	E47 C53 T54 G55 E56 F57 I96	E47-Q51 PolarHBondContact O-N 3.17Å; E47-Q51 WeakPolarHBondContact OE1-CG 3.35Å; E47-Q51 PolarHBondContact OE1-NE2 3.48Å; Q51-C53 VanDerWaalsContact C-N 3.33Å; Q51-T54 WeakPolarHBondContact CA-OG1 3.41Å; Q51-T54 PolarHBondContact O-N 2.91Å; Q51-T54 PolarHBondContact O-OG1 2.88Å; Q51-G55 WeakPolarHBondContact O-CA 3.44Å; Q51-G55 PolarHBondContact O-N 3.13Å; Q51-E56 HydrophobicContact CG-CB 4.38Å; Q51-E56 PolarHBondContact O-N 2.81Å; Q51-F57 HydrophobicContact CB-CB 4.34Å; Q51-I96 HydrophobicContact CB-CG2 3.81Å; Q51-I96 HydrophobicContact CG-CD1 4.3Å
52	L	98.4	Very high	97	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-71.9	-26.5	173.9	-66.7	177.9	0	0	0	112.3	N48 F49 R50 G65 Y66 I85 I96 C128	N48-L52 VanDerWaalsContact O-CG 3.28Å; N48-L52 WeakPolarHBondContact O-CG 3.2Å; N48-L52 PolarHBondContact O-N 3.06Å; F49-L52 PolarHBondContact O-N 3.19Å; R50-L52 VanDerWaalsContact C-N 3.3Å; R50-L52 PolarHBondContact O-N 3.45Å; L52-G65 CarbonylContact O-C 3.6Å; L52-G65 WeakPolarHBondContact O-CA 3.22Å; L52-Y66 HydrophobicContact CB-CD2 3.76Å; L52-Y66 HydrophobicContact CB-CE1 4.18Å; L52-Y66 HydrophobicContact CB-CE2 3.37Å; L52-Y66 HydrophobicContact CB-CG 4.33Å; L52-Y66 HydrophobicContact CD1-CE1 4.12Å; L52-Y66 HydrophobicContact CD1-CE2 4.34Å; L52-Y66 WeakPolarHBondContact CD1-OH 3.25Å; L52-Y66 PolarHBondContact O-N 3.42Å; L52-I85 HydrophobicContact CD1-CD1 4.45Å; L52-I85 HydrophobicContact CD2-CD1 3.67Å; L52-I96 HydrophobicContact CG-CG2 4.49Å; L52-C128 HydrophobicContact CD1-CB 3.73Å
53	C	98.5	Very high	96.9	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.02	30%	0.3	C	S	.	.	H	α-helix	trans	-70.1	-43.1	168.7	-68.4	0	0	0	0	112.2	V19 F21 F49 R50 Q51 C180 G181	V19-C53 HydrophobicContact CB-CB 4.26Å; V19-C53 HydrophobicContact CG1-CB 4.01Å; F21-C53 VanDerWaalsContact CE2-SG 3.52Å; F21-C53 WeakPolarHBondContact CZ-SG 3.31Å; F49-C53 VanDerWaalsContact CE1-SG 3.52Å; F49-C53 PolarHBondContact O-N 2.93Å; F49-C53 PolarHBondContact O-SG 2.92Å; R50-C53 WeakPolarHBondContact O-CB 3.22Å; R50-C53 PolarHBondContact O-N 3.45Å; R50-C53 VanDerWaalsContact O-N 3.08Å; Q51-C53 VanDerWaalsContact C-N 3.33Å; C53-C180 CarbonylContact O-C 3.52Å; C53-C180 PolarHBondContact O-SG 3.37Å; C53-G181 WeakPolarHBondContact O-CA 3.44Å; C53-G181 PolarHBondContact O-N 2.76Å
54	T	98.3	Very high	96.7	Very high	47 Å²	47	55 Å²	55	29%	0.288	29%	0.288	S	S	.	.	H	α-helix	trans	-83.7	-22.2	-173.9	57.7	0	0	0	0	113.7	R50 Q51 E56 Q182	R50-T54 WeakPolarHBondContact O-CG2 3.41Å; R50-T54 PolarHBondContact O-N 2.87Å; R50-T54 PolarHBondContact O-OG1 3.49Å; Q51-T54 WeakPolarHBondContact CA-OG1 3.41Å; Q51-T54 PolarHBondContact O-N 2.91Å; Q51-T54 PolarHBondContact O-OG1 2.88Å; T54-E56 VanDerWaalsContact C-N 3.28Å; T54-E56 VanDerWaalsContact OG1-CG 3.29Å; T54-E56 WeakPolarHBondContact OG1-CG 3.48Å; T54-E56 PolarHBondContact OG1-N 2.79Å; T54-E56 PolarHBondContact OG1-OE2 3.36Å; T54-Q182 HydrophobicContact CG2-CB 3.8Å
55	G	96.8	Very high	96.7	Very high	18 Å²	18	49.5 Å²	49.5	19%	0.186	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	72	22.2	-171.4	0	0	0	0	0	113	Q51 F57 P63	Q51-G55 WeakPolarHBondContact O-CA 3.44Å; Q51-G55 PolarHBondContact O-N 3.13Å; G55-F57 VanDerWaalsContact C-N 3.32Å; G55-P63 WeakPolarHBondContact O-CB 3.37Å
56	E	97.5	Very high	96.7	Very high	101 Å²	101	49.5 Å²	49.5	47%	0.472	27%	0.268	S	S	.	.			trans	-67.4	-35.1	175.3	-78.5	172.2	151.7	0	0	111.8	R50 Q51 T54	R50-E56 IonicContact CZ-OE2 3.51Å; R50-E56 IonicContact NH1-OE1 2.8Å; R50-E56 IonicContact NH1-OE2 2.77Å; R50-E56 PolarHBondContact NH1-OE2 3.08Å; R50-E56 IonicContact NH2-OE2 3.4Å; R50-E56 PolarHBondContact NH2-OE2 3.14Å; Q51-E56 HydrophobicContact CG-CB 4.38Å; Q51-E56 PolarHBondContact O-N 2.81Å; T54-E56 VanDerWaalsContact C-N 3.28Å; T54-E56 VanDerWaalsContact OG1-CG 3.29Å; T54-E56 WeakPolarHBondContact OG1-CG 3.48Å; T54-E56 PolarHBondContact OG1-N 2.79Å; T54-E56 PolarHBondContact OG1-OE2 3.36Å
57	F	96.4	Very high	96.6	Very high	49 Å²	49	54.3 Å²	54.3	22%	0.215	29%	0.289	C	S	.	.			trans	-72.5	130.5	174.9	-173.6	-103.5	0	0	0	110.6	Q51 G55 I64 I96	Q51-F57 HydrophobicContact CB-CB 4.34Å; G55-F57 VanDerWaalsContact C-N 3.32Å; F57-I64 HydrophobicContact CD1-CD1 3.65Å; F57-I64 HydrophobicContact CD1-CG1 3.55Å; F57-I64 HydrophobicContact CE1-CD1 3.7Å; F57-I64 HydrophobicContact CE1-CG1 4.09Å; F57-I64 PolarHBondContact O-N 2.93Å; F57-I96 HydrophobicContact CB-CG2 3.73Å; F57-I96 HydrophobicContact CD1-CG2 4.32Å; F57-I96 HydrophobicContact CD2-CB 3.77Å; F57-I96 HydrophobicContact CD2-CG2 3.87Å; F57-I96 HydrophobicContact CE2-CB 4.14Å; F57-I96 WeakPolarHBondContact CE2-O 3.36Å; F57-I96 HydrophobicContact CG-CB 4.13Å; F57-I96 HydrophobicContact CG-CG2 3.71Å
58	R	95.7	Very high	96.6	Very high	157 Å²	157	57.4 Å²	57.4	59%	0.592	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.9	179.5	-65.3	-175.1	171.8	96.5	-0.5	110.3	V62 P63	R58-V62 CarbonylContact C-O 3.54Å; R58-V62 VanDerWaalsContact CA-O 3.24Å; R58-V62 WeakPolarHBondContact CA-O 3.44Å; R58-P63 HydrophobicContact CG-CG 4.31Å
59	K	91.6	Very high	96.5	Very high	108 Å²	108	57.9 Å²	57.9	47%	0.47	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.1	168.9	-171.1	173.1	-178.2	175.2	0	108.1	G61 V62 I64	K59-G61 PolarHBondContact O-N 3.39Å; K59-V62 PolarHBondContact N-O 2.86Å; K59-V62 PolarHBondContact O-N 3.35Å; K59-I64 HydrophobicContact CB-CD1 4.07Å; K59-I64 HydrophobicContact CB-CG1 4.42Å; K59-I64 HydrophobicContact CB-CG2 3.94Å; K59-I64 HydrophobicContact CD-CD1 4.44Å
60	D	92.4	Very high	96.5	Very high	155 Å²	155	59 Å²	59	83%	0.829	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	37.3	-176.3	-52.8	-46.1	0	0	0	113.5	V62	D60-V62 PolarHBondContact O-N 3.05Å
61	G	92.7	Very high	96.4	Very high	60 Å²	60	57.8 Å²	57.8	62%	0.619	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-5.9	-178.9	0	0	0	0	0	115.2	K59	K59-G61 PolarHBondContact O-N 3.39Å
62	V	93.5	Very high	96.4	Very high	92 Å²	92	56.4 Å²	56.4	56%	0.558	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.8	179.4	-175.2	0	0	0	0	110	R58 K59 D60 I64	R58-V62 CarbonylContact C-O 3.54Å; R58-V62 VanDerWaalsContact CA-O 3.24Å; R58-V62 WeakPolarHBondContact CA-O 3.44Å; K59-V62 PolarHBondContact N-O 2.86Å; K59-V62 PolarHBondContact O-N 3.35Å; D60-V62 PolarHBondContact O-N 3.05Å; V62-I64 PolarHBondContact O-N 2.6Å
63	P	94.9	Very high	96.4	Very high	72 Å²	72	61.2 Å²	61.2	47%	0.468	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	126.3	169.4	-27.4	36.9	0	0	0	111.2	G55 R58	G55-P63 WeakPolarHBondContact O-CB 3.37Å; R58-P63 HydrophobicContact CG-CG 4.31Å
64	I	95.4	Very high	96.4	Very high	36 Å²	36	61.1 Å²	61.1	19%	0.185	32%	0.324	C	S	.	.			trans	-115.5	148.7	170.7	67.7	165.7	0	0	0	109.5	F57 K59 V62 I85 T94	F57-I64 HydrophobicContact CD1-CD1 3.65Å; F57-I64 HydrophobicContact CD1-CG1 3.55Å; F57-I64 HydrophobicContact CE1-CD1 3.7Å; F57-I64 HydrophobicContact CE1-CG1 4.09Å; F57-I64 PolarHBondContact O-N 2.93Å; K59-I64 HydrophobicContact CB-CD1 4.07Å; K59-I64 HydrophobicContact CB-CG1 4.42Å; K59-I64 HydrophobicContact CB-CG2 3.94Å; K59-I64 HydrophobicContact CD-CD1 4.44Å; V62-I64 PolarHBondContact O-N 2.6Å; I64-I85 HydrophobicContact CD1-CD1 4.14Å; I64-I85 HydrophobicContact CG1-CD1 4.46Å; I64-T94 HydrophobicContact CD1-CG2 4.41Å
65	G	97.6	Very high	96.4	Very high	15 Å²	15	61 Å²	61	16%	0.155	32%	0.321	C	S	.	.	S	Bend	trans	172.6	-175.1	-176	0	0	0	0	0	112.9	L52 K67 I85	L52-G65 CarbonylContact O-C 3.6Å; L52-G65 WeakPolarHBondContact O-CA 3.22Å; G65-K67 PolarHBondContact O-N 3.31Å; G65-I85 VanDerWaalsContact O-CG2 3.22Å; G65-I85 WeakPolarHBondContact O-CG2 3.49Å
66	Y	98.6	Very high	96.4	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	-73.2	-14.7	-173.9	-62	-50.8	0	0	0	113.9	F21 F49 L52 N68 S69 I85 C128 F130 V177	F21-Y66 HydrophobicContact CE1-CD2 4.05Å; F21-Y66 HydrophobicContact CE1-CG 4.12Å; F21-Y66 AromaticContact CZ-CD2 3.75Å; F21-Y66 HydrophobicContact CZ-CD2 3.75Å; F21-Y66 HydrophobicContact CZ-CE2 4.37Å; F21-Y66 HydrophobicContact CZ-CG 4.28Å; F49-Y66 HydrophobicContact CD1-CE2 4.32Å; F49-Y66 AromaticContact CD2-CE2 3.61Å; F49-Y66 HydrophobicContact CD2-CE2 3.61Å; F49-Y66 AromaticContact CD2-CZ 3.73Å; F49-Y66 WeakPolarHBondContact CD2-OH 3.39Å; F49-Y66 HydrophobicContact CE1-CE2 4.29Å; F49-Y66 HydrophobicContact CE2-CD2 4.47Å; F49-Y66 AromaticContact CE2-CE2 3.54Å; F49-Y66 HydrophobicContact CE2-CE2 3.54Å; F49-Y66 AromaticContact CE2-CZ 3.71Å; F49-Y66 WeakPolarHBondContact CE2-OH 3.42Å; F49-Y66 HydrophobicContact CG-CE2 4.02Å; F49-Y66 HydrophobicContact CZ-CD2 4.48Å; F49-Y66 AromaticContact CZ-CE2 3.91Å; F49-Y66 HydrophobicContact CZ-CE2 3.91Å; L52-Y66 HydrophobicContact CB-CD2 3.76Å; L52-Y66 HydrophobicContact CB-CE1 4.18Å; L52-Y66 HydrophobicContact CB-CE2 3.37Å; L52-Y66 HydrophobicContact CB-CG 4.33Å; L52-Y66 HydrophobicContact CD1-CE1 4.12Å; L52-Y66 HydrophobicContact CD1-CE2 4.34Å; L52-Y66 WeakPolarHBondContact CD1-OH 3.25Å; L52-Y66 PolarHBondContact O-N 3.42Å; Y66-N68 PolarHBondContact O-N 3.26Å; Y66-S69 WeakPolarHBondContact O-CB 3.5Å; Y66-S69 PolarHBondContact O-N 2.83Å; Y66-S69 PolarHBondContact O-OG 2.85Å; Y66-I85 HydrophobicContact CD1-CG2 3.67Å; Y66-I85 HydrophobicContact CE1-CG2 4.16Å; Y66-C128 HydrophobicContact CE1-CB 4.44Å; Y66-C128 WeakPolarHBondContact CE1-O 3.15Å; Y66-C128 PolarHBondContact OH-O 2.88Å; Y66-F130 HydrophobicContact CD1-CE1 4.23Å; Y66-F130 HydrophobicContact CE1-CD1 4.15Å; Y66-F130 HydrophobicContact CE1-CE1 4.03Å; Y66-V177 VanDerWaalsContact O-CB 3.29Å; Y66-V177 WeakPolarHBondContact O-CB 3.39Å
67	K	98	Very high	96.3	Very high	103 Å²	103	65.5 Å²	65.5	45%	0.448	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	130.4	176	-173.7	175	-175.5	157.2	0	110.4	G65 S69 C180	G65-K67 PolarHBondContact O-N 3.31Å; K67-S69 PolarHBondContact O-N 3.46Å; K67-C180 PolarHBondContact N-SG 3.22Å
68	N	97	Very high	96.4	Very high	120 Å²	120	65.6 Å²	65.6	64%	0.642	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	5.2	-173.5	-52.3	-44.2	0	0	0	115.6	Y66 V177	Y66-N68 PolarHBondContact O-N 3.26Å; N68-V177 WeakPolarHBondContact CA-O 3.44Å; N68-V177 PolarHBondContact N-O 3.25Å
69	S	97.9	Very high	96.5	Very high	11 Å²	11	58.3 Å²	58.3	8%	0.077	31%	0.313	C	S	.	.			trans	-75.6	164.6	168.8	76.8	0	0	0	0	111.2	Y66 K67 T176 V177	Y66-S69 WeakPolarHBondContact O-CB 3.5Å; Y66-S69 PolarHBondContact O-N 2.83Å; Y66-S69 PolarHBondContact O-OG 2.85Å; K67-S69 PolarHBondContact O-N 3.46Å; S69-T176 WeakPolarHBondContact O-CA 3.49Å; S69-T176 WeakPolarHBondContact O-CG2 3.35Å; S69-V177 PolarHBondContact O-N 3.36Å
70	C	97.3	Very high	96.9	Very high	22 Å²	22	53.2 Å²	53.2	15%	0.149	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-120.1	158.4	-177.1	72.3	0	0	0	0	114	H72 G82 I175	C70-H72 PolarHBondContact O-N 2.81Å; C70-G82 VanDerWaalsContact O-CA 3.32Å; C70-G82 WeakPolarHBondContact O-CA 3.32Å; C70-I175 CarbonylContact C-O 3.55Å; C70-I175 WeakPolarHBondContact CA-O 3.48Å; C70-I175 VanDerWaalsContact CB-O 3.23Å; C70-I175 WeakPolarHBondContact CB-O 3.14Å
71	F	98.3	Very high	97.2	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.013	26%	0.256	C	S	.	.			trans	-83.8	98.2	161.9	-79.1	-100.8	0	0	0	108.1	M23 F33 V80 Q81 F130 I132 I160 P171 I175 V177	M23-F71 HydrophobicContact CE-CD2 3.4Å; M23-F71 VanDerWaalsContact CE-CD2 3.4Å; M23-F71 HydrophobicContact CE-CE2 3.32Å; M23-F71 HydrophobicContact SD-CE2 4Å; F33-F71 HydrophobicContact CZ-CZ 4.44Å; F71-V80 HydrophobicContact CD1-CB 3.93Å; F71-V80 HydrophobicContact CD1-CG2 4.1Å; F71-V80 HydrophobicContact CE1-CB 4.18Å; F71-V80 HydrophobicContact CE1-CG2 3.83Å; F71-Q81 CarbonylContact C-O 3.46Å; F71-Q81 VanDerWaalsContact CA-O 3.24Å; F71-Q81 WeakPolarHBondContact CA-O 3.44Å; F71-F130 HydrophobicContact CE1-CE2 4.31Å; F71-F130 HydrophobicContact CE1-CZ 4.46Å; F71-F130 HydrophobicContact CZ-CE2 4Å; F71-F130 AromaticContact CZ-CZ 3.89Å; F71-F130 HydrophobicContact CZ-CZ 3.89Å; F71-I132 HydrophobicContact CZ-CD1 4.4Å; F71-I160 HydrophobicContact CB-CG2 4.43Å; F71-I160 HydrophobicContact CD1-CG2 4.38Å; F71-I160 HydrophobicContact CE2-CD1 4.46Å; F71-I160 HydrophobicContact CG-CG2 4.35Å; F71-P171 WeakPolarHBondContact O-CG 3.34Å; F71-I175 HydrophobicContact CB-CB 4.25Å; F71-I175 HydrophobicContact CB-CG2 4.12Å; F71-I175 HydrophobicContact CD2-CG2 4.23Å; F71-I175 HydrophobicContact CG-CG2 4.46Å; F71-I175 PolarHBondContact N-O 3.49Å; F71-V177 HydrophobicContact CE2-CG2 4.26Å
72	H	98.1	Very high	97.4	Very high	11 Å²	11	44 Å²	44	5%	0.051	23%	0.226	C	C	.	.			trans	-85.5	-12	-172.5	58.9	-91.6	0	0	0	113	C70 Q81 G90 Q129 R170	C70-H72 PolarHBondContact O-N 2.81Å; H72-Q81 PolarHBondContact N-O 3.47Å; H72-Q81 VanDerWaalsContact N-O 3.12Å; H72-Q81 PolarHBondContact NE2-NE2 3.4Å; H72-G90 VanDerWaalsContact NE2-CA 3.3Å; H72-G90 WeakPolarHBondContact NE2-CA 3.38Å; H72-Q129 PolarHBondContact CE1-OE1 2.86Å; H72-Q129 PolarHBondContact NE2-OE1 2.83Å; H72-R170 WeakPolarHBondContact O-CA 3.27Å; H72-R170 WeakPolarHBondContact O-CG 3.37Å
73	R	98.4	Very high	97.6	Very high	102 Å²	102	39.7 Å²	39.7	39%	0.385	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	128	179.4	-170.2	-173.6	-177.7	-155.8	2	111.6	M79 Q81 S169	R73-M79 HydrophobicContact CB-CE 4.47Å; R73-M79 HydrophobicContact CG-CE 3.9Å; R73-Q81 HydrophobicContact CB-CB 4.23Å; R73-Q81 PolarHBondContact N-O 2.76Å; R73-Q81 PolarHBondContact O-N 2.91Å; R73-S169 WeakPolarHBondContact CA-O 3.45Å
74	V	98.4	Very high	97.8	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	122.8	-179.3	169.4	0	0	0	0	109.1	V80 I160 E161 V165 S169 P171	V74-V80 HydrophobicContact CB-CG1 4.42Å; V74-V80 HydrophobicContact CG1-CG1 4.03Å; V74-V80 HydrophobicContact CG2-CB 4.33Å; V74-V80 HydrophobicContact CG2-CG1 4.01Å; V74-I160 HydrophobicContact CG2-CG2 3.98Å; V74-E161 WeakPolarHBondContact CG1-O 3.34Å; V74-V165 HydrophobicContact CB-CG1 3.93Å; V74-V165 HydrophobicContact CG1-CG1 4.19Å; V74-S169 PolarHBondContact N-O 3.26Å; V74-S169 WeakPolarHBondContact O-CB 3.4Å; V74-P171 HydrophobicContact CB-CG 4.2Å; V74-P171 HydrophobicContact CG2-CG 3.6Å
75	I	98.1	Very high	97.9	Very high	44 Å²	44	36.5 Å²	36.5	23%	0.226	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	109.3	176.1	-57.2	175.9	0	0	0	107.6	F78 M79	I75-F78 HydrophobicContact CB-CB 4.12Å; I75-F78 HydrophobicContact CB-CD1 4.04Å; I75-F78 HydrophobicContact CD1-CD1 3.95Å; I75-F78 HydrophobicContact CD1-CE1 4.36Å; I75-F78 HydrophobicContact CG2-CB 3.81Å; I75-F78 HydrophobicContact CG2-CD1 4.01Å; I75-F78 HydrophobicContact CG2-CG 4.43Å; I75-F78 PolarHBondContact O-N 3.09Å; I75-F78 VanDerWaalsContact O-N 3.11Å; I75-M79 HydrophobicContact CB-CE 3.88Å; I75-M79 HydrophobicContact CD1-CE 3.72Å; I75-M79 HydrophobicContact CG1-CE 3.56Å; I75-M79 PolarHBondContact N-O 2.75Å; I75-M79 PolarHBondContact O-N 2.81Å; I75-M79 VanDerWaalsContact O-O 3.11Å
76	K	97.1	Very high	97.8	Very high	108 Å²	108	39.2 Å²	39.2	47%	0.47	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	140	179.3	-173.1	178	168.6	56.9	0	111	F78 E161 N162	K76-F78 PolarHBondContact O-N 2.99Å; K76-F78 VanDerWaalsContact O-N 3.16Å; K76-E161 HydrophobicContact CB-CG 4.47Å; K76-E161 HydrophobicContact CG-CG 4.28Å; K76-N162 PolarHBondContact NZ-OD1 3.21Å
77	D	96	Very high	97.7	Very high	106 Å²	106	43.5 Å²	43.5	57%	0.567	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	14	-177.9	-51.2	-48.8	0	0	0	114	A135 E161	D77-A135 WeakPolarHBondContact O-CB 3.3Å; D77-E161 WeakPolarHBondContact CA-OE1 3.35Å; D77-E161 PolarHBondContact N-OE1 3.43Å
78	F	97.9	Very high	97.6	Very high	51 Å²	51	39.3 Å²	39.3	22%	0.224	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-75	176.7	178.2	-147.2	0	0	0	112.1	I75 K76 C134 C137 F139 L140	I75-F78 HydrophobicContact CB-CB 4.12Å; I75-F78 HydrophobicContact CB-CD1 4.04Å; I75-F78 HydrophobicContact CD1-CD1 3.95Å; I75-F78 HydrophobicContact CD1-CE1 4.36Å; I75-F78 HydrophobicContact CG2-CB 3.81Å; I75-F78 HydrophobicContact CG2-CD1 4.01Å; I75-F78 HydrophobicContact CG2-CG 4.43Å; I75-F78 PolarHBondContact O-N 3.09Å; I75-F78 VanDerWaalsContact O-N 3.11Å; K76-F78 PolarHBondContact O-N 2.99Å; K76-F78 VanDerWaalsContact O-N 3.16Å; F78-C134 PolarHBondContact O-N 3.34Å; F78-C137 VanDerWaalsContact CD2-SG 3.51Å; F78-C137 HydrophobicContact CE2-CB 4.28Å; F78-F139 AromaticContact CD2-CZ 3.97Å; F78-F139 HydrophobicContact CD2-CZ 3.97Å; F78-F139 HydrophobicContact CE2-CE1 4.46Å; F78-F139 AromaticContact CE2-CE2 3.81Å; F78-F139 HydrophobicContact CE2-CE2 3.81Å; F78-F139 AromaticContact CE2-CZ 3.37Å; F78-F139 HydrophobicContact CE2-CZ 3.37Å; F78-F139 AromaticContact CZ-CE2 3.94Å; F78-F139 HydrophobicContact CZ-CE2 3.94Å; F78-F139 AromaticContact CZ-CZ 3.91Å; F78-F139 HydrophobicContact CZ-CZ 3.91Å; F78-L140 HydrophobicContact CE2-CD1 3.93Å; F78-L140 HydrophobicContact CZ-CD1 4.18Å
79	M	98	Very high	97.6	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.02	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	163.7	-174.7	66	83.1	-124.2	0	0	113.4	R73 I75 Q81 F131 I132	R73-M79 HydrophobicContact CB-CE 4.47Å; R73-M79 HydrophobicContact CG-CE 3.9Å; I75-M79 HydrophobicContact CB-CE 3.88Å; I75-M79 HydrophobicContact CD1-CE 3.72Å; I75-M79 HydrophobicContact CG1-CE 3.56Å; I75-M79 PolarHBondContact N-O 2.75Å; I75-M79 PolarHBondContact O-N 2.81Å; I75-M79 VanDerWaalsContact O-O 3.11Å; M79-Q81 HydrophobicContact CE-CB 4.3Å; M79-Q81 HydrophobicContact SD-CB 3.6Å; M79-F131 HydrophobicContact CB-CB 4.36Å; M79-F131 HydrophobicContact CB-CD2 4.05Å; M79-F131 HydrophobicContact SD-CB 3.99Å; M79-I132 VanDerWaalsContact CA-O 3.27Å; M79-I132 WeakPolarHBondContact CA-O 3.3Å; M79-I132 WeakPolarHBondContact CB-O 3.17Å
80	V	98.6	Very high	97.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.9	166.4	-62	0	0	0	0	109.1	F71 V74 F131 I132 V157 I160 E161	F71-V80 HydrophobicContact CD1-CB 3.93Å; F71-V80 HydrophobicContact CD1-CG2 4.1Å; F71-V80 HydrophobicContact CE1-CB 4.18Å; F71-V80 HydrophobicContact CE1-CG2 3.83Å; V74-V80 HydrophobicContact CB-CG1 4.42Å; V74-V80 HydrophobicContact CG1-CG1 4.03Å; V74-V80 HydrophobicContact CG2-CB 4.33Å; V74-V80 HydrophobicContact CG2-CG1 4.01Å; V80-F131 CarbonylContact O-C 3.4Å; V80-F131 WeakPolarHBondContact O-CA 3.46Å; V80-F131 WeakPolarHBondContact O-CB 3.4Å; V80-I132 HydrophobicContact CG2-CB 3.87Å; V80-I132 HydrophobicContact CG2-CG1 4.47Å; V80-I132 PolarHBondContact N-O 3.08Å; V80-I132 PolarHBondContact O-N 2.83Å; V80-V157 HydrophobicContact CG2-CG1 4.05Å; V80-I160 HydrophobicContact CB-CG2 3.97Å; V80-I160 HydrophobicContact CG1-CB 4.44Å; V80-I160 HydrophobicContact CG1-CG2 3.74Å; V80-I160 HydrophobicContact CG2-CG2 4.36Å; V80-E161 HydrophobicContact CG1-CB 4.14Å
81	Q	98.6	Very high	97.4	Very high	22 Å²	22	41.2 Å²	41.2	10%	0.103	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137	-174.9	175.7	-177.8	-4.8	0	0	110.9	F71 H72 R73 M79 A119 F130 F131	F71-Q81 CarbonylContact C-O 3.46Å; F71-Q81 VanDerWaalsContact CA-O 3.24Å; F71-Q81 WeakPolarHBondContact CA-O 3.44Å; H72-Q81 PolarHBondContact N-O 3.47Å; H72-Q81 VanDerWaalsContact N-O 3.12Å; H72-Q81 PolarHBondContact NE2-NE2 3.4Å; R73-Q81 HydrophobicContact CB-CB 4.23Å; R73-Q81 PolarHBondContact N-O 2.76Å; R73-Q81 PolarHBondContact O-N 2.91Å; M79-Q81 HydrophobicContact CE-CB 4.3Å; M79-Q81 HydrophobicContact SD-CB 3.6Å; Q81-A119 HydrophobicContact CG-CB 4.49Å; Q81-F130 WeakPolarHBondContact CA-O 3.45Å; Q81-F131 HydrophobicContact CB-CB 4.03Å
82	G	98.4	Very high	97.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	-160.7	-179.2	0	0	0	0	0	111.5	C70 D84 Q129 F130	C70-G82 VanDerWaalsContact O-CA 3.32Å; C70-G82 WeakPolarHBondContact O-CA 3.32Å; G82-D84 VanDerWaalsContact C-N 3.3Å; G82-D84 PolarHBondContact O-N 3.26Å; G82-Q129 WeakPolarHBondContact O-CA 3.28Å; G82-F130 PolarHBondContact N-O 3.4Å; G82-F130 PolarHBondContact O-N 3.2Å; G82-F130 VanDerWaalsContact O-N 3.09Å
83	G	97.8	Very high	97.1	Very high	1 Å²	1	44 Å²	44	1%	0.01	23%	0.233	C	C	.	.			trans	78.4	10.4	176.1	0	0	0	0	0	115.1	I85 C128	G83-I85 VanDerWaalsContact C-N 3.34Å; G83-I85 PolarHBondContact O-N 3.35Å; G83-C128 CarbonylContact O-C 3.46Å; G83-C128 WeakPolarHBondContact O-CB 3.28Å; G83-C128 PolarHBondContact O-SG 2.86Å
84	D	98.1	Very high	97	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.011	22%	0.218	C	C	.	.			trans	-73.9	92.9	165.3	-176.6	-12	0	0	0	108.7	G82 V86 N87 G88 D89 G90 T91 G92 Q129	G82-D84 VanDerWaalsContact C-N 3.3Å; G82-D84 PolarHBondContact O-N 3.26Å; D84-V86 VanDerWaalsContact C-N 3.31Å; D84-V86 PolarHBondContact OD1-N 2.85Å; D84-N87 PolarHBondContact OD1-N 3.32Å; D84-G88 WeakPolarHBondContact O-CA 3.2Å; D84-G88 PolarHBondContact O-N 2.96Å; D84-G88 PolarHBondContact OD1-N 2.8Å; D84-G88 VanDerWaalsContact OD1-N 3.14Å; D84-G88 PolarHBondContact OD2-N 3.4Å; D84-G88 VanDerWaalsContact OD2-N 3.15Å; D84-D89 PolarHBondContact OD2-N 3.33Å; D84-G90 WeakPolarHBondContact OD2-CA 3.5Å; D84-G90 PolarHBondContact OD2-N 2.89Å; D84-T91 PolarHBondContact OD2-N 2.74Å; D84-G92 VanDerWaalsContact OD1-CA 3.32Å; D84-G92 WeakPolarHBondContact OD1-CA 3.48Å; D84-G92 PolarHBondContact OD2-N 2.83Å; D84-Q129 HydrophobicContact CB-CG 3.88Å
85	I	97.1	Very high	97	Very high	40 Å²	40	39.5 Å²	39.5	21%	0.205	22%	0.218	C	C	.	.			trans	-87.4	0	-179.7	67.9	-179.5	0	0	0	112.8	L52 I64 G65 Y66 G83 T94 C128	L52-I85 HydrophobicContact CD1-CD1 4.45Å; L52-I85 HydrophobicContact CD2-CD1 3.67Å; I64-I85 HydrophobicContact CD1-CD1 4.14Å; I64-I85 HydrophobicContact CG1-CD1 4.46Å; G65-I85 VanDerWaalsContact O-CG2 3.22Å; G65-I85 WeakPolarHBondContact O-CG2 3.49Å; Y66-I85 HydrophobicContact CD1-CG2 3.67Å; Y66-I85 HydrophobicContact CE1-CG2 4.16Å; G83-I85 VanDerWaalsContact C-N 3.34Å; G83-I85 PolarHBondContact O-N 3.35Å; I85-T94 HydrophobicContact CD1-CG2 3.67Å; I85-T94 HydrophobicContact CG1-CG2 3.71Å; I85-C128 HydrophobicContact CD1-CB 4.07Å; I85-C128 HydrophobicContact CG1-CB 4.06Å
86	V	96.1	Very high	97	Very high	71 Å²	71	38.5 Å²	38.5	43%	0.43	21%	0.212	S	C	.	.	S	Bend	trans	-103.4	-54.2	-176.3	-174.1	0	0	0	0	110.2	D84 T94	D84-V86 VanDerWaalsContact C-N 3.31Å; D84-V86 PolarHBondContact OD1-N 2.85Å; V86-T94 HydrophobicContact CG2-CG2 3.59Å
87	N	96.6	Very high	97	Very high	91 Å²	91	38.5 Å²	38.5	49%	0.487	21%	0.21	S	C	.	.	S	Bend	trans	-118.2	-21.7	-174.3	-64.6	-23.9	0	0	0	113.3	D84 D89 T91	D84-N87 PolarHBondContact OD1-N 3.32Å; N87-D89 WeakPolarHBondContact CB-OD1 3.4Å; N87-D89 PolarHBondContact O-N 2.87Å; N87-T91 PolarHBondContact ND2-OG1 2.71Å
88	G	96.6	Very high	97	Very high	15 Å²	15	35.3 Å²	35.3	16%	0.155	20%	0.202	C	C	.	.	S	Bend	trans	64.9	25	-179.8	0	0	0	0	0	114.5	D84 R170	D84-G88 WeakPolarHBondContact O-CA 3.2Å; D84-G88 PolarHBondContact O-N 2.96Å; D84-G88 PolarHBondContact OD1-N 2.8Å; D84-G88 VanDerWaalsContact OD1-N 3.14Å; D84-G88 PolarHBondContact OD2-N 3.4Å; D84-G88 VanDerWaalsContact OD2-N 3.15Å; G88-R170 PolarHBondContact O-NH1 2.77Å; G88-R170 PolarHBondContact O-NH2 2.92Å; G88-R170 VanDerWaalsContact O-NH2 3.11Å
89	D	96.2	Very high	96.8	Very high	80 Å²	80	39 Å²	39	43%	0.428	22%	0.22	S	C	.	.	S	Bend	trans	-134.2	-2.5	-176.7	69.3	5.3	0	0	0	114.5	D84 N87 T91	D84-D89 PolarHBondContact OD2-N 3.33Å; N87-D89 WeakPolarHBondContact CB-OD1 3.4Å; N87-D89 PolarHBondContact O-N 2.87Å; D89-T91 WeakPolarHBondContact OD1-CB 3.43Å; D89-T91 WeakPolarHBondContact OD1-CG2 3.34Å; D89-T91 PolarHBondContact OD1-N 2.79Å; D89-T91 PolarHBondContact OD1-OG1 2.88Å
90	G	95.7	Very high	96.6	Very high	29 Å²	29	43.2 Å²	43.2	30%	0.299	24%	0.24	S	C	.	.	S	Bend	trans	99.6	-1.7	179.8	0	0	0	0	0	113.7	H72 D84 Q129	H72-G90 VanDerWaalsContact NE2-CA 3.3Å; H72-G90 WeakPolarHBondContact NE2-CA 3.38Å; D84-G90 WeakPolarHBondContact OD2-CA 3.5Å; D84-G90 PolarHBondContact OD2-N 2.89Å; G90-Q129 PolarHBondContact O-NE2 3.35Å
91	T	96.2	Very high	96.6	Very high	84 Å²	84	43.8 Å²	43.8	52%	0.515	24%	0.242	S	C	.	.			trans	-95.3	-17.8	177.7	65.5	0	0	0	0	113.4	D84 N87 D89	D84-T91 PolarHBondContact OD2-N 2.74Å; N87-T91 PolarHBondContact ND2-OG1 2.71Å; D89-T91 WeakPolarHBondContact OD1-CB 3.43Å; D89-T91 WeakPolarHBondContact OD1-CG2 3.34Å; D89-T91 PolarHBondContact OD1-N 2.79Å; D89-T91 PolarHBondContact OD1-OG1 2.88Å
92	G	95.5	Very high	96.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.01	26%	0.264	C	S	.	.			trans	-73.2	132.1	-176.1	0	0	0	0	0	113.5	D84 Q129	D84-G92 VanDerWaalsContact OD1-CA 3.32Å; D84-G92 WeakPolarHBondContact OD1-CA 3.48Å; D84-G92 PolarHBondContact OD2-N 2.83Å; G92-Q129 PolarHBondContact O-NE2 3.42Å
93	M	94	Very high	96.6	Very high	70 Å²	70	47.9 Å²	47.9	35%	0.345	27%	0.269	S	S	.	.			trans	-129.6	131.6	174.7	-67.6	-171.9	-75	0	0	110.1	E99	M93-E99 CarbonylContact C-O 3.03Å
94	T	96.8	Very high	96.6	Very high	10 Å²	10	50.5 Å²	50.5	6%	0.061	28%	0.281	C	S	.	.			trans	-167	154.9	171.4	-168.7	0	0	0	0	107.3	I64 I85 V86 E99 G127 C128	I64-T94 HydrophobicContact CD1-CG2 4.41Å; I85-T94 HydrophobicContact CD1-CG2 3.67Å; I85-T94 HydrophobicContact CG1-CG2 3.71Å; V86-T94 HydrophobicContact CG2-CG2 3.59Å; T94-E99 CarbonylContact C-O 3.53Å; T94-E99 VanDerWaalsContact CA-O 3.27Å; T94-E99 WeakPolarHBondContact CA-O 3.33Å; T94-E99 PolarHBondContact N-O 2.91Å; T94-G127 CarbonylContact O-C 3.41Å; T94-G127 WeakPolarHBondContact O-CA 3.34Å; T94-C128 HydrophobicContact CG2-CB 4.07Å; T94-C128 WeakPolarHBondContact O-CA 3.16Å; T94-C128 WeakPolarHBondContact O-CB 3.49Å; T94-C128 PolarHBondContact O-N 2.9Å
95	S	97.7	Very high	96.4	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.007	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-145.5	173.2	173.8	69.2	0	0	0	0	109.1	N48 Y97 G98	N48-S95 WeakPolarHBondContact OD1-CA 3.46Å; N48-S95 VanDerWaalsContact OD1-CB 3.29Å; N48-S95 WeakPolarHBondContact OD1-CB 3.46Å; S95-Y97 PolarHBondContact O-N 3.46Å; S95-Y97 PolarHBondContact OG-N 3.36Å; S95-Y97 VanDerWaalsContact OG-N 3.15Å; S95-G98 WeakPolarHBondContact CA-O 3.33Å; S95-G98 PolarHBondContact N-O 3.39Å; S95-G98 PolarHBondContact O-N 2.99Å; S95-G98 VanDerWaalsContact O-O 3.1Å; S95-G98 PolarHBondContact OG-N 3.14Å; S95-G98 PolarHBondContact OG-O 2.87Å
96	I	97.7	Very high	96.4	Very high	22 Å²	22	53.3 Å²	53.3	11%	0.113	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-11.8	171.6	69.8	170.4	0	0	0	113	E47 N48 Q51 L52 F57	E47-I96 HydrophobicContact CG-CD1 3.98Å; N48-I96 HydrophobicContact CB-CD1 4.3Å; N48-I96 HydrophobicContact CB-CG1 4.04Å; N48-I96 PolarHBondContact OD1-N 2.91Å; Q51-I96 HydrophobicContact CB-CG2 3.81Å; Q51-I96 HydrophobicContact CG-CD1 4.3Å; L52-I96 HydrophobicContact CG-CG2 4.49Å; F57-I96 HydrophobicContact CB-CG2 3.73Å; F57-I96 HydrophobicContact CD1-CG2 4.32Å; F57-I96 HydrophobicContact CD2-CB 3.77Å; F57-I96 HydrophobicContact CD2-CG2 3.87Å; F57-I96 HydrophobicContact CE2-CB 4.14Å; F57-I96 WeakPolarHBondContact CE2-O 3.36Å; F57-I96 HydrophobicContact CG-CB 4.13Å; F57-I96 HydrophobicContact CG-CG2 3.71Å
97	Y	97.3	Very high	96.5	Very high	108 Å²	108	56.4 Å²	56.4	42%	0.424	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	0.8	-177.3	-51.1	-61.2	0	0	0	113.5	K44 N48 S95 F101	K44-Y97 VanDerWaalsContact CA-OH 3.28Å; K44-Y97 WeakPolarHBondContact CA-OH 3.41Å; K44-Y97 HydrophobicContact CB-CE2 4.16Å; K44-Y97 WeakPolarHBondContact O-CE2 3.18Å; K44-Y97 PolarHBondContact O-OH 3.39Å; N48-Y97 HydrophobicContact CB-CE2 3.9Å; S95-Y97 PolarHBondContact O-N 3.46Å; S95-Y97 PolarHBondContact OG-N 3.36Å; S95-Y97 VanDerWaalsContact OG-N 3.15Å; Y97-F101 HydrophobicContact CD2-CB 4Å; Y97-F101 HydrophobicContact CD2-CD1 4.04Å; Y97-F101 HydrophobicContact CD2-CD2 4.45Å; Y97-F101 AromaticContact CD2-CG 3.92Å; Y97-F101 HydrophobicContact CD2-CG 3.92Å
98	G	95.7	Very high	96.5	Very high	39 Å²	39	53.7 Å²	53.7	40%	0.402	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	129.4	-153.4	-172.7	0	0	0	0	0	112	S95	S95-G98 WeakPolarHBondContact CA-O 3.33Å; S95-G98 PolarHBondContact N-O 3.39Å; S95-G98 PolarHBondContact O-N 2.99Å; S95-G98 VanDerWaalsContact O-O 3.1Å; S95-G98 PolarHBondContact OG-N 3.14Å; S95-G98 PolarHBondContact OG-O 2.87Å
99	E	93.6	Very high	96.6	Very high	128 Å²	128	57.3 Å²	57.3	60%	0.598	30%	0.303	S	S	*	.	S	Bend	trans	-67.1	-45.4	-178.7	-172.5	175.5	169.5	0	0	112.4	M93 T94	M93-E99 CarbonylContact C-O 3.03Å; T94-E99 CarbonylContact C-O 3.53Å; T94-E99 VanDerWaalsContact CA-O 3.27Å; T94-E99 WeakPolarHBondContact CA-O 3.33Å; T94-E99 PolarHBondContact N-O 2.91Å
100	H	95.3	Very high	96.7	Very high	94 Å²	94	53.5 Å²	53.5	44%	0.435	28%	0.283	S	S	.	.			trans	-147.4	167	176.2	60.7	89.1	0	0	0	111.2	D124 N126	H100-D124 PolarHBondContact ND1-O 2.75Å; H100-D124 VanDerWaalsContact ND1-O 3.15Å; H100-N126 CarbonylContact C-O 3.56Å; H100-N126 WeakPolarHBondContact CA-O 3.21Å; H100-N126 WeakPolarHBondContact CB-O 3.42Å
101	F	98.2	Very high	96.8	Very high	11 Å²	11	57.2 Å²	57.2	5%	0.048	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-138.4	156.8	176.8	65.6	-84.4	0	0	0	113	T45 N48 Y97 M118 D124 N126	T45-F101 HydrophobicContact CG2-CE2 4.23Å; T45-F101 HydrophobicContact CG2-CZ 4.17Å; N48-F101 HydrophobicContact CB-CE1 4.28Å; N48-F101 HydrophobicContact CB-CZ 4.3Å; Y97-F101 HydrophobicContact CD2-CB 4Å; Y97-F101 HydrophobicContact CD2-CD1 4.04Å; Y97-F101 HydrophobicContact CD2-CD2 4.45Å; Y97-F101 AromaticContact CD2-CG 3.92Å; Y97-F101 HydrophobicContact CD2-CG 3.92Å; F101-M118 HydrophobicContact CE1-CE 4.34Å; F101-M118 HydrophobicContact CZ-CE 4.11Å; F101-D124 CarbonylContact O-C 3.58Å; F101-N126 HydrophobicContact CD1-CB 3.93Å; F101-N126 WeakPolarHBondContact CD1-O 3.35Å; F101-N126 HydrophobicContact CD2-CB 3.91Å; F101-N126 HydrophobicContact CE1-CB 3.58Å; F101-N126 WeakPolarHBondContact CE1-O 3.48Å; F101-N126 HydrophobicContact CE2-CB 3.56Å; F101-N126 HydrophobicContact CG-CB 4.09Å; F101-N126 HydrophobicContact CZ-CB 3.39Å; F101-N126 PolarHBondContact N-O 2.87Å; F101-N126 WeakPolarHBondContact O-CB 3.47Å; F101-N126 PolarHBondContact O-N 2.83Å; F101-N126 VanDerWaalsContact O-N 3.12Å; F101-N126 PolarHBondContact O-ND2 3.27Å
102	P	98	Very high	96.8	Very high	85 Å²	85	55 Å²	55	55%	0.552	29%	0.286	S	S	*	.			trans	-62.4	159.8	-177.7	-24.5	35.6	0	0	0	114.9	E104 D124 N126	P102-E104 PolarHBondContact O-N 3.15Å; P102-D124 WeakPolarHBondContact CA-OD1 3.29Å; P102-D124 HydrophobicContact CB-CB 4.29Å; P102-D124 WeakPolarHBondContact CB-OD1 3.48Å; P102-N126 PolarHBondContact O-ND2 2.94Å
103	D	98.3	Very high	97	Very high	23 Å²	23	56.8 Å²	56.8	12%	0.123	30%	0.301	C	S	.	.			trans	-68.5	116.1	170.2	-65.4	-51.4	0	0	0	109.8	F106 D124 N126 V145	D103-F106 HydrophobicContact CB-CE1 4.32Å; D103-F106 HydrophobicContact CB-CE2 3.97Å; D103-F106 HydrophobicContact CB-CZ 3.57Å; D103-D124 PolarHBondContact N-OD1 2.89Å; D103-D124 PolarHBondContact OD2-N 3.31Å; D103-N126 WeakPolarHBondContact CA-ND2 3.12Å; D103-N126 PolarHBondContact N-ND2 2.97Å; D103-N126 PolarHBondContact OD1-ND2 2.78Å; D103-V145 HydrophobicContact CB-CG2 3.91Å
104	E	97.3	Very high	97.2	Very high	56 Å²	56	53.6 Å²	53.6	26%	0.262	29%	0.286	S	S	.	.			trans	-71.4	-52.1	-173.2	-172.7	163.6	-156.8	0	0	112.5	V42 P43 K44 T45 P102	V42-E104 VanDerWaalsContact C-CD 3.48Å; V42-E104 VanDerWaalsContact CA-CD 3.46Å; V42-E104 VanDerWaalsContact CA-OE2 3.23Å; V42-E104 WeakPolarHBondContact CA-OE2 3.35Å; V42-E104 HydrophobicContact CB-CG 4.37Å; V42-E104 VanDerWaalsContact CB-OE2 3.31Å; V42-E104 WeakPolarHBondContact CB-OE2 3.5Å; V42-E104 HydrophobicContact CG1-CB 4.24Å; V42-E104 HydrophobicContact CG1-CG 4.24Å; P43-E104 WeakPolarHBondContact CD-OE1 3.37Å; P43-E104 WeakPolarHBondContact CG-OE1 3Å; K44-E104 WeakPolarHBondContact CB-OE1 3.29Å; K44-E104 WeakPolarHBondContact CB-OE2 3.16Å; K44-E104 WeakPolarHBondContact CG-OE1 3.5Å; K44-E104 PolarHBondContact N-OE1 3.4Å; K44-E104 PolarHBondContact N-OE2 2.8Å; K44-E104 VanDerWaalsContact N-OE2 3.12Å; T45-E104 PolarHBondContact N-OE2 3.02Å; T45-E104 PolarHBondContact OG1-OE2 2.99Å; P102-E104 PolarHBondContact O-N 3.15Å
105	C	95.3	Very high	97.3	Very high	39 Å²	39	53.9 Å²	53.9	26%	0.264	29%	0.287	S	S	.	.			trans	-162.4	168.9	167.9	75.8	0	0	0	0	111.1	V42	V42-C105 WeakPolarHBondContact CG1-SG 3.42Å
106	F	97.2	Very high	97.3	Very high	63 Å²	63	53.8 Å²	53.8	28%	0.276	29%	0.286	S	S	.	.			trans	-122.2	32.1	174.9	-59.2	-70.7	0	0	0	112.2	D103 K109 V145	D103-F106 HydrophobicContact CB-CE1 4.32Å; D103-F106 HydrophobicContact CB-CE2 3.97Å; D103-F106 HydrophobicContact CB-CZ 3.57Å; F106-K109 PolarHBondContact O-NZ 3.1Å; F106-V145 HydrophobicContact CD1-CG2 4.37Å; F106-V145 HydrophobicContact CE1-CG2 3.92Å
107	E	96.8	Very high	97.4	Very high	135 Å²	135	52.8 Å²	52.8	63%	0.631	28%	0.281	S	S	*	.			trans	-63.3	-44.4	179.7	-175.1	177.6	134.4	0	0	111.1	V41 K109	V41-E107 HydrophobicContact CG1-CB 4.42Å; E107-K109 WeakPolarHBondContact O-CE 3.31Å
108	L	97.5	Very high	97.4	Very high	34 Å²	34	47.6 Å²	47.6	18%	0.178	26%	0.261	C	S	.	.	S	Bend	trans	-81.5	149.6	179.9	-60.1	173.8	0	0	0	111.4	F38 V41 V146	F38-L108 HydrophobicContact CB-CD1 4.11Å; F38-L108 HydrophobicContact CD2-CD1 3.29Å; F38-L108 HydrophobicContact CE2-CD1 3.92Å; F38-L108 HydrophobicContact CG-CD1 3.99Å; V41-L108 HydrophobicContact CB-CD1 4.29Å; V41-L108 HydrophobicContact CG1-CD1 4.16Å; V41-L108 HydrophobicContact CG1-CG 4.23Å; V41-L108 HydrophobicContact CG2-CD1 4.49Å; L108-V146 HydrophobicContact CB-CB 3.7Å; L108-V146 HydrophobicContact CB-CG1 3.67Å; L108-V146 HydrophobicContact CD1-CG1 4.14Å
109	K	98.3	Very high	97.5	Very high	92 Å²	92	46.3 Å²	46.3	40%	0.4	25%	0.246	S	C	.	.			trans	-123.2	155.2	-169.7	-53.7	-59.6	174.7	-166.6	0	112	F106 E107 N111 D141	F106-K109 PolarHBondContact O-NZ 3.1Å; E107-K109 WeakPolarHBondContact O-CE 3.31Å; K109-N111 HydrophobicContact CB-CB 4.5Å; K109-N111 PolarHBondContact O-N 3.48Å; K109-D141 WeakPolarHBondContact CA-OD1 3.47Å; K109-D141 HydrophobicContact CD-CB 4.06Å; K109-D141 WeakPolarHBondContact CD-OD2 3.29Å
110	H	98.4	Very high	97.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.			trans	-83.3	49.4	178.2	-56.6	81.7	0	0	0	111.9	A112 S117 F131 T133 P136 C137 D141 H144	H110-A112 VanDerWaalsContact C-N 3.35Å; H110-A112 PolarHBondContact O-N 2.76Å; H110-S117 WeakPolarHBondContact NE2-CB 3.49Å; H110-S117 PolarHBondContact NE2-OG 3.45Å; H110-F131 AromaticContact CD2-CE2 3.95Å; H110-F131 AromaticContact NE2-CZ 3.65Å; H110-T133 HydrophobicContact CB-CG2 4.45Å; H110-P136 CarbonylContact O-C 3.57Å; H110-P136 VanDerWaalsContact O-CA 3.32Å; H110-P136 WeakPolarHBondContact O-CA 3.33Å; H110-C137 HydrophobicContact CB-CB 3.89Å; H110-C137 WeakPolarHBondContact CB-O 3.2Å; H110-C137 PolarHBondContact O-N 3.45Å; H110-D141 IonicContact CE1-OD1 3.83Å; H110-D141 IonicContact CG-OD1 3.59Å; H110-D141 PolarHBondContact N-OD1 3.4Å; H110-D141 IonicContact ND1-OD1 2.77Å; H110-D141 PolarHBondContact ND1-OD1 2.83Å; H110-H144 PolarHBondContact CE1-O 3.44Å
111	N	97.3	Very high	97.7	Very high	106 Å²	106	41.4 Å²	41.4	57%	0.567	24%	0.238	S	C	*	.			trans	-83.8	-1	-167.3	65.5	-5.1	0	0	0	115.4	K109	K109-N111 HydrophobicContact CB-CB 4.5Å; K109-N111 PolarHBondContact O-N 3.48Å
112	A	97.6	Very high	97.5	Very high	37 Å²	37	42.4 Å²	42.4	31%	0.306	25%	0.252	S	S	.	.	S	Bend	trans	-153.1	168.7	-175.3	0	0	0	0	0	111.5	H110 I115 T133	H110-A112 VanDerWaalsContact C-N 3.35Å; H110-A112 PolarHBondContact O-N 2.76Å; A112-I115 HydrophobicContact CB-CG1 4.37Å; A112-I115 WeakPolarHBondContact O-CG1 3.39Å; A112-T133 PolarHBondContact O-OG1 2.9Å
113	A	98.2	Very high	97.4	Very high	39 Å²	39	46.3 Å²	46.3	32%	0.322	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	152.6	164.8	0	0	0	0	0	110.8	C134 M154	A113-C134 WeakPolarHBondContact CB-O 3.44Å; A113-M154 HydrophobicContact CB-CE 3.96Å
114	G	98.4	Very high	97.4	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.031	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	11.1	179.9	0	0	0	0	0	114	T133 R149 V150	G114-T133 PolarHBondContact N-O 2.82Å; G114-T133 PolarHBondContact N-OG1 3.18Å; G114-R149 CarbonylContact O-C 3.5Å; G114-R149 VanDerWaalsContact O-CA 3.25Å; G114-R149 WeakPolarHBondContact O-CA 3.46Å; G114-V150 PolarHBondContact O-N 3.25Å
115	I	98.6	Very high	97.4	Very high	16 Å²	16	46.7 Å²	46.7	8%	0.082	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	130.6	176.7	-58.7	-65.9	0	0	0	109.1	A112 I132 T133 V146 R149	A112-I115 HydrophobicContact CB-CG1 4.37Å; A112-I115 WeakPolarHBondContact O-CG1 3.39Å; I115-I132 CarbonylContact O-C 3.34Å; I115-I132 VanDerWaalsContact O-CA 3.3Å; I115-I132 WeakPolarHBondContact O-CA 2.99Å; I115-T133 HydrophobicContact CB-CG2 4.1Å; I115-T133 WeakPolarHBondContact CB-OG1 3.4Å; I115-T133 PolarHBondContact N-OG1 2.78Å; I115-T133 PolarHBondContact O-N 3Å; I115-V146 HydrophobicContact CG2-CB 4.18Å; I115-V146 HydrophobicContact CG2-CG1 3.39Å; I115-V146 HydrophobicContact CG2-CG2 3.77Å; I115-R149 HydrophobicContact CD1-CB 4.31Å
116	L	98.8	Very high	97.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	130.6	172.8	-80.8	71.2	0	0	0	109.3	A35 L37 F49 I132 V146 F147 G148 V150	A35-L116 HydrophobicContact CB-CD1 3.97Å; A35-L116 HydrophobicContact CB-CD2 3.8Å; L37-L116 HydrophobicContact CD2-CD2 4.35Å; F49-L116 HydrophobicContact CE1-CD2 4.01Å; F49-L116 HydrophobicContact CZ-CD2 3.93Å; L116-I132 HydrophobicContact CD1-CG1 4.31Å; L116-I132 HydrophobicContact CG-CG1 4.21Å; L116-V146 WeakPolarHBondContact O-CA 3.14Å; L116-F147 HydrophobicContact CB-CD2 4.35Å; L116-F147 HydrophobicContact CB-CE1 4.17Å; L116-F147 HydrophobicContact CB-CE2 3.87Å; L116-F147 HydrophobicContact CB-CZ 3.78Å; L116-F147 HydrophobicContact CD2-CE2 3.81Å; L116-F147 HydrophobicContact CD2-CZ 4.11Å; L116-F147 HydrophobicContact CG-CE2 4.46Å; L116-F147 HydrophobicContact CG-CZ 4.43Å; L116-F147 PolarHBondContact O-N 2.76Å; L116-G148 PolarHBondContact N-O 3.42Å; L116-G148 PolarHBondContact O-N 2.95Å; L116-V150 HydrophobicContact CD1-CG2 3.84Å
117	S	98.7	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	147.9	-177.8	-173.4	0	0	0	0	112	H110 A119 F130 F131 H144 V145	H110-S117 WeakPolarHBondContact NE2-CB 3.49Å; H110-S117 PolarHBondContact NE2-OG 3.45Å; S117-A119 PolarHBondContact O-N 3.47Å; S117-F130 WeakPolarHBondContact O-CA 3.49Å; S117-F131 PolarHBondContact N-O 2.76Å; S117-F131 WeakPolarHBondContact O-CD1 3.27Å; S117-F131 PolarHBondContact O-N 2.93Å; S117-F131 WeakPolarHBondContact OG-CZ 3.25Å; S117-H144 VanDerWaalsContact OG-CB 3.29Å; S117-H144 WeakPolarHBondContact OG-CB 3.49Å; S117-V145 VanDerWaalsContact CA-O 3.31Å; S117-V145 WeakPolarHBondContact CA-O 3.43Å; S117-V145 PolarHBondContact OG-O 3.29Å
118	M	98.6	Very high	97.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	126.7	-176.2	-69.4	-54	-61	0	0	110.9	T45 F101 N126 G127 Q129 H144 V145 F147	T45-M118 HydrophobicContact CG2-CG 3.51Å; T45-M118 HydrophobicContact CG2-SD 3.8Å; F101-M118 HydrophobicContact CE1-CE 4.34Å; F101-M118 HydrophobicContact CZ-CE 4.11Å; M118-N126 HydrophobicContact CB-CB 4.47Å; M118-N126 WeakPolarHBondContact CB-OD1 3.36Å; M118-N126 HydrophobicContact CE-CB 4.14Å; M118-N126 HydrophobicContact CG-CB 4.41Å; M118-G127 WeakPolarHBondContact CE-O 3.39Å; M118-Q129 WeakPolarHBondContact CE-O 3.43Å; M118-H144 WeakPolarHBondContact O-CB 2.95Å; M118-H144 PolarHBondContact O-ND1 3.46Å; M118-V145 HydrophobicContact CB-CB 4.5Å; M118-V145 HydrophobicContact CG-CB 4.34Å; M118-V145 PolarHBondContact N-O 3.42Å; M118-F147 HydrophobicContact CG-CD1 3.74Å; M118-F147 HydrophobicContact CG-CE1 3.96Å; M118-F147 HydrophobicContact SD-CD1 3.71Å; M118-F147 HydrophobicContact SD-CE1 3.43Å; M118-F147 WeakPolarHBondContact SD-CE1 3.08Å; M118-F147 HydrophobicContact SD-CZ 4.15Å
119	A	98	Very high	97.7	Very high	12 Å²	12	34.7 Å²	34.7	10%	0.099	21%	0.206	C	C	.	.			trans	-78.1	135.1	164	0	0	0	0	0	108.5	Q81 S117 Q129 F131	Q81-A119 HydrophobicContact CG-CB 4.49Å; S117-A119 PolarHBondContact O-N 3.47Å; A119-Q129 HydrophobicContact CB-CB 3.8Å; A119-Q129 PolarHBondContact N-O 2.85Å; A119-Q129 VanDerWaalsContact N-O 3.1Å; A119-F131 HydrophobicContact CB-CD1 4.26Å
120	N	97	Very high	97.7	Very high	37 Å²	37	30.3 Å²	30.3	20%	0.198	19%	0.187	C	C	.	.			trans	-143	166.1	-178.9	67	33.1	0	0	0	110.1	G122 T125 K143 H144	N120-G122 PolarHBondContact OD1-N 3.09Å; N120-T125 WeakPolarHBondContact CB-OG1 3.33Å; N120-K143 PolarHBondContact ND2-O 2.96Å; N120-H144 PolarHBondContact OD1-CE1 3.5Å; N120-H144 VanDerWaalsContact OD1-CE1 3.29Å
121	A	94.7	Very high	97.7	Very high	81 Å²	81	30.8 Å²	30.8	67%	0.669	19%	0.189	S	C	*	.	S	Bend	trans	-106	24.5	178.6	0	0	0	0	0	112.1	T125	A121-T125 WeakPolarHBondContact CA-OG1 3.42Å; A121-T125 PolarHBondContact N-OG1 2.81Å
122	G	95	Very high	97.8	Very high	33 Å²	33	25.7 Å²	25.7	34%	0.34	16%	0.162	S	C	.	.	S	Bend	trans	131	179.5	-171	0	0	0	0	0	111.9	N120 D124 T125	N120-G122 PolarHBondContact OD1-N 3.09Å; G122-D124 PolarHBondContact O-N 3Å; G122-T125 PolarHBondContact N-OG1 3.11Å; G122-T125 PolarHBondContact O-N 3Å; G122-T125 PolarHBondContact O-OG1 3.16Å
123	K	96.2	Very high	97.8	Very high	167 Å²	167	24 Å²	24	73%	0.726	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	136.6	179.9	-170.6	-173.4	174.3	-174.7	0	111.1	T125	K123-T125 VanDerWaalsContact C-N 3.28Å; K123-T125 PolarHBondContact O-N 3Å
124	D	96.8	Very high	97.8	Very high	56 Å²	56	22.2 Å²	22.2	30%	0.299	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	29.2	174.3	-58.6	-43.4	0	0	0	115.1	H100 F101 P102 D103 G122	H100-D124 PolarHBondContact ND1-O 2.75Å; H100-D124 VanDerWaalsContact ND1-O 3.15Å; F101-D124 CarbonylContact O-C 3.58Å; P102-D124 WeakPolarHBondContact CA-OD1 3.29Å; P102-D124 HydrophobicContact CB-CB 4.29Å; P102-D124 WeakPolarHBondContact CB-OD1 3.48Å; D103-D124 PolarHBondContact N-OD1 2.89Å; D103-D124 PolarHBondContact OD2-N 3.31Å; G122-D124 PolarHBondContact O-N 3Å
125	T	97.7	Very high	97.8	Very high	31 Å²	31	23.5 Å²	23.5	19%	0.19	14%	0.143	C	C	.	.			trans	-117	34.9	179.8	62.9	0	0	0	0	113.3	N120 A121 G122 K123	N120-T125 WeakPolarHBondContact CB-OG1 3.33Å; A121-T125 WeakPolarHBondContact CA-OG1 3.42Å; A121-T125 PolarHBondContact N-OG1 2.81Å; G122-T125 PolarHBondContact N-OG1 3.11Å; G122-T125 PolarHBondContact O-N 3Å; G122-T125 PolarHBondContact O-OG1 3.16Å; K123-T125 VanDerWaalsContact C-N 3.28Å; K123-T125 PolarHBondContact O-N 3Å
126	N	98.3	Very high	97.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-68.8	134.3	176.1	-60.1	-63.4	0	0	0	110.2	H100 F101 P102 D103 M118	H100-N126 CarbonylContact C-O 3.56Å; H100-N126 WeakPolarHBondContact CA-O 3.21Å; H100-N126 WeakPolarHBondContact CB-O 3.42Å; F101-N126 HydrophobicContact CD1-CB 3.93Å; F101-N126 WeakPolarHBondContact CD1-O 3.35Å; F101-N126 HydrophobicContact CD2-CB 3.91Å; F101-N126 HydrophobicContact CE1-CB 3.58Å; F101-N126 WeakPolarHBondContact CE1-O 3.48Å; F101-N126 HydrophobicContact CE2-CB 3.56Å; F101-N126 HydrophobicContact CG-CB 4.09Å; F101-N126 HydrophobicContact CZ-CB 3.39Å; F101-N126 PolarHBondContact N-O 2.87Å; F101-N126 WeakPolarHBondContact O-CB 3.47Å; F101-N126 PolarHBondContact O-N 2.83Å; F101-N126 VanDerWaalsContact O-N 3.12Å; F101-N126 PolarHBondContact O-ND2 3.27Å; P102-N126 PolarHBondContact O-ND2 2.94Å; D103-N126 WeakPolarHBondContact CA-ND2 3.12Å; D103-N126 PolarHBondContact N-ND2 2.97Å; D103-N126 PolarHBondContact OD1-ND2 2.78Å; M118-N126 HydrophobicContact CB-CB 4.47Å; M118-N126 WeakPolarHBondContact CB-OD1 3.36Å; M118-N126 HydrophobicContact CE-CB 4.14Å; M118-N126 HydrophobicContact CG-CB 4.41Å
127	G	97.9	Very high	97.7	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.031	17%	0.165	C	C	.	.			trans	-130.5	-126.3	-179.6	0	0	0	0	0	112.1	N48 T94 M118	N48-G127 PolarHBondContact ND2-O 3.23Å; T94-G127 CarbonylContact O-C 3.41Å; T94-G127 WeakPolarHBondContact O-CA 3.34Å; M118-G127 WeakPolarHBondContact CE-O 3.39Å
128	C	98.2	Very high	97.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-99.8	-23.2	178.5	51.1	0	0	0	0	111.8	L52 Y66 G83 I85 T94	L52-C128 HydrophobicContact CD1-CB 3.73Å; Y66-C128 HydrophobicContact CE1-CB 4.44Å; Y66-C128 WeakPolarHBondContact CE1-O 3.15Å; Y66-C128 PolarHBondContact OH-O 2.88Å; G83-C128 CarbonylContact O-C 3.46Å; G83-C128 WeakPolarHBondContact O-CB 3.28Å; G83-C128 PolarHBondContact O-SG 2.86Å; I85-C128 HydrophobicContact CD1-CB 4.07Å; I85-C128 HydrophobicContact CG1-CB 4.06Å; T94-C128 HydrophobicContact CG2-CB 4.07Å; T94-C128 WeakPolarHBondContact O-CA 3.16Å; T94-C128 WeakPolarHBondContact O-CB 3.49Å; T94-C128 PolarHBondContact O-N 2.9Å
129	Q	98.6	Very high	97.5	Very high	15 Å²	15	37.3 Å²	37.3	7%	0.07	22%	0.216	C	C	.	.			trans	-72.2	142.8	-176.8	-63.7	-171.3	50	0	0	112	H72 G82 D84 G90 G92 M118 A119	H72-Q129 PolarHBondContact CE1-OE1 2.86Å; H72-Q129 PolarHBondContact NE2-OE1 2.83Å; G82-Q129 WeakPolarHBondContact O-CA 3.28Å; D84-Q129 HydrophobicContact CB-CG 3.88Å; G90-Q129 PolarHBondContact O-NE2 3.35Å; G92-Q129 PolarHBondContact O-NE2 3.42Å; M118-Q129 WeakPolarHBondContact CE-O 3.43Å; A119-Q129 HydrophobicContact CB-CB 3.8Å; A119-Q129 PolarHBondContact N-O 2.85Å; A119-Q129 VanDerWaalsContact N-O 3.1Å
130	F	98.8	Very high	97.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	163.6	179	69.5	-80.4	0	0	0	109.9	F21 F49 Y66 F71 Q81 G82 S117 I132 F147	F21-F130 HydrophobicContact CE1-CZ 4.04Å; F21-F130 HydrophobicContact CZ-CZ 4.22Å; F49-F130 HydrophobicContact CD2-CD1 4.47Å; F49-F130 HydrophobicContact CE2-CB 4.02Å; F49-F130 AromaticContact CE2-CD1 3.5Å; F49-F130 HydrophobicContact CE2-CD1 3.5Å; F49-F130 AromaticContact CE2-CD2 3.91Å; F49-F130 HydrophobicContact CE2-CD2 3.91Å; F49-F130 AromaticContact CE2-CE1 3.81Å; F49-F130 HydrophobicContact CE2-CE1 3.81Å; F49-F130 HydrophobicContact CE2-CE2 4.2Å; F49-F130 AromaticContact CE2-CG 3.54Å; F49-F130 HydrophobicContact CE2-CG 3.54Å; F49-F130 HydrophobicContact CE2-CZ 4.14Å; F49-F130 HydrophobicContact CZ-CD1 4.24Å; F49-F130 HydrophobicContact CZ-CD2 4.17Å; F49-F130 HydrophobicContact CZ-CE1 4.13Å; F49-F130 HydrophobicContact CZ-CE2 4.08Å; F49-F130 HydrophobicContact CZ-CG 4.24Å; F49-F130 HydrophobicContact CZ-CZ 4.05Å; Y66-F130 HydrophobicContact CD1-CE1 4.23Å; Y66-F130 HydrophobicContact CE1-CD1 4.15Å; Y66-F130 HydrophobicContact CE1-CE1 4.03Å; F71-F130 HydrophobicContact CE1-CE2 4.31Å; F71-F130 HydrophobicContact CE1-CZ 4.46Å; F71-F130 HydrophobicContact CZ-CE2 4Å; F71-F130 AromaticContact CZ-CZ 3.89Å; F71-F130 HydrophobicContact CZ-CZ 3.89Å; Q81-F130 WeakPolarHBondContact CA-O 3.45Å; G82-F130 PolarHBondContact N-O 3.4Å; G82-F130 PolarHBondContact O-N 3.2Å; G82-F130 VanDerWaalsContact O-N 3.09Å; S117-F130 WeakPolarHBondContact O-CA 3.49Å; F130-I132 HydrophobicContact CD2-CG1 4.33Å; F130-I132 HydrophobicContact CE2-CD1 4.27Å; F130-I132 HydrophobicContact CE2-CG1 4.13Å; F130-F147 HydrophobicContact CB-CE1 4.1Å; F130-F147 HydrophobicContact CB-CZ 3.93Å
131	F	98.8	Very high	97.5	Very high	10 Å²	10	37.9 Å²	37.9	4%	0.044	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	156.4	168.2	63.8	-87.7	0	0	0	111.3	M79 V80 Q81 H110 S117 A119 T133 L140 H144	M79-F131 HydrophobicContact CB-CB 4.36Å; M79-F131 HydrophobicContact CB-CD2 4.05Å; M79-F131 HydrophobicContact SD-CB 3.99Å; V80-F131 CarbonylContact O-C 3.4Å; V80-F131 WeakPolarHBondContact O-CA 3.46Å; V80-F131 WeakPolarHBondContact O-CB 3.4Å; Q81-F131 HydrophobicContact CB-CB 4.03Å; H110-F131 AromaticContact CD2-CE2 3.95Å; H110-F131 AromaticContact NE2-CZ 3.65Å; S117-F131 PolarHBondContact N-O 2.76Å; S117-F131 WeakPolarHBondContact O-CD1 3.27Å; S117-F131 PolarHBondContact O-N 2.93Å; S117-F131 WeakPolarHBondContact OG-CZ 3.25Å; A119-F131 HydrophobicContact CB-CD1 4.26Å; F131-T133 HydrophobicContact CD2-CG2 4.32Å; F131-T133 HydrophobicContact CE2-CG2 3.99Å; F131-L140 HydrophobicContact CE2-CD1 3.68Å; F131-L140 HydrophobicContact CZ-CD1 3.64Å; F131-H144 HydrophobicContact CE1-CB 4.01Å; F131-H144 AromaticContact CE1-CG 3.9Å; F131-H144 AromaticContact CE1-ND1 3.92Å; F131-H144 HydrophobicContact CZ-CB 3.96Å
132	I	98.8	Very high	97.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.6	170.9	-53.8	172.4	0	0	0	107.3	F33 F71 M79 V80 I115 L116 F130 V150 V157	F33-I132 HydrophobicContact CE1-CD1 4.38Å; F33-I132 HydrophobicContact CE2-CD1 3.94Å; F33-I132 HydrophobicContact CZ-CD1 3.8Å; F71-I132 HydrophobicContact CZ-CD1 4.4Å; M79-I132 VanDerWaalsContact CA-O 3.27Å; M79-I132 WeakPolarHBondContact CA-O 3.3Å; M79-I132 WeakPolarHBondContact CB-O 3.17Å; V80-I132 HydrophobicContact CG2-CB 3.87Å; V80-I132 HydrophobicContact CG2-CG1 4.47Å; V80-I132 PolarHBondContact N-O 3.08Å; V80-I132 PolarHBondContact O-N 2.83Å; I115-I132 CarbonylContact O-C 3.34Å; I115-I132 VanDerWaalsContact O-CA 3.3Å; I115-I132 WeakPolarHBondContact O-CA 2.99Å; L116-I132 HydrophobicContact CD1-CG1 4.31Å; L116-I132 HydrophobicContact CG-CG1 4.21Å; F130-I132 HydrophobicContact CD2-CG1 4.33Å; F130-I132 HydrophobicContact CE2-CD1 4.27Å; F130-I132 HydrophobicContact CE2-CG1 4.13Å; I132-V150 HydrophobicContact CD1-CG2 4.43Å; I132-V150 HydrophobicContact CG2-CG2 4Å; I132-V157 HydrophobicContact CB-CG1 4.46Å; I132-V157 HydrophobicContact CD1-CG2 4.21Å; I132-V157 HydrophobicContact CG2-CG1 3.97Å
133	T	98.7	Very high	97.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	141	177.2	61.1	0	0	0	0	111.1	H110 A112 G114 I115 F131	H110-T133 HydrophobicContact CB-CG2 4.45Å; A112-T133 PolarHBondContact O-OG1 2.9Å; G114-T133 PolarHBondContact N-O 2.82Å; G114-T133 PolarHBondContact N-OG1 3.18Å; I115-T133 HydrophobicContact CB-CG2 4.1Å; I115-T133 WeakPolarHBondContact CB-OG1 3.4Å; I115-T133 PolarHBondContact N-OG1 2.78Å; I115-T133 PolarHBondContact O-N 3Å; F131-T133 HydrophobicContact CD2-CG2 4.32Å; F131-T133 HydrophobicContact CE2-CG2 3.99Å
134	C	98.3	Very high	97.8	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.02	19%	0.188	C	C	.	.	S	Bend	trans	-105.7	-12.4	173.5	-63	0	0	0	0	112.6	F78 A113 R158 E161	F78-C134 PolarHBondContact O-N 3.34Å; A113-C134 WeakPolarHBondContact CB-O 3.44Å; C134-R158 VanDerWaalsContact O-CZ 3.3Å; C134-R158 PolarHBondContact O-NH1 3.48Å; C134-R158 PolarHBondContact O-NH2 3.34Å; C134-E161 HydrophobicContact CB-CG 4.22Å; C134-E161 WeakPolarHBondContact CB-OE1 3.35Å
135	A	97.8	Very high	97.9	Very high	29 Å²	29	31.1 Å²	31.1	24%	0.24	17%	0.174	C	C	.	.	S	Bend	trans	-149.8	168	173.5	0	0	0	0	0	109.3	D77 C137	D77-A135 WeakPolarHBondContact O-CB 3.3Å; A135-C137 PolarHBondContact O-N 3.08Å; A135-C137 PolarHBondContact O-SG 3.38Å
136	P	97.8	Very high	98	Very high	80 Å²	80	29.8 Å²	29.8	52%	0.519	17%	0.166	S	C	.	.			trans	-55.9	135.7	168.4	-23.7	34.5	0	0	0	111.7	H110	H110-P136 CarbonylContact O-C 3.57Å; H110-P136 VanDerWaalsContact O-CA 3.32Å; H110-P136 WeakPolarHBondContact O-CA 3.33Å
137	C	96.9	Very high	98	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.014	17%	0.166	C	C	.	.			trans	-134.9	49.3	-172.7	-60.2	0	0	0	0	111.8	F78 H110 A135 F139 L140	F78-C137 VanDerWaalsContact CD2-SG 3.51Å; F78-C137 HydrophobicContact CE2-CB 4.28Å; H110-C137 HydrophobicContact CB-CB 3.89Å; H110-C137 WeakPolarHBondContact CB-O 3.2Å; H110-C137 PolarHBondContact O-N 3.45Å; A135-C137 PolarHBondContact O-N 3.08Å; A135-C137 PolarHBondContact O-SG 3.38Å; C137-F139 HydrophobicContact CB-CE1 4.12Å; C137-F139 HydrophobicContact CB-CZ 4.22Å; C137-F139 PolarHBondContact O-N 3.36Å; C137-L140 HydrophobicContact CB-CD1 3.76Å; C137-L140 HydrophobicContact CB-CG 4.03Å; C137-L140 WeakPolarHBondContact O-CB 3.38Å; C137-L140 PolarHBondContact O-N 2.99Å
138	D	96.6	Very high	98	Very high	101 Å²	101	29.7 Å²	29.7	54%	0.54	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-53.6	-25.8	-173.3	-50.8	-19.5	0	0	0	113.9	L140 D141	D138-L140 PolarHBondContact O-N 3.15Å; D138-L140 VanDerWaalsContact O-N 3.16Å; D138-D141 VanDerWaalsContact O-CB 3.28Å; D138-D141 WeakPolarHBondContact O-CB 3.25Å; D138-D141 PolarHBondContact O-N 3.12Å
139	F	96.9	Very high	98	Very high	124 Å²	124	33.4 Å²	33.4	54%	0.544	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-66.5	-11.2	175.7	61.2	-93.6	0	0	0	114.7	F78 C137 K143	F78-F139 AromaticContact CD2-CZ 3.97Å; F78-F139 HydrophobicContact CD2-CZ 3.97Å; F78-F139 HydrophobicContact CE2-CE1 4.46Å; F78-F139 AromaticContact CE2-CE2 3.81Å; F78-F139 HydrophobicContact CE2-CE2 3.81Å; F78-F139 AromaticContact CE2-CZ 3.37Å; F78-F139 HydrophobicContact CE2-CZ 3.37Å; F78-F139 AromaticContact CZ-CE2 3.94Å; F78-F139 HydrophobicContact CZ-CE2 3.94Å; F78-F139 AromaticContact CZ-CZ 3.91Å; F78-F139 HydrophobicContact CZ-CZ 3.91Å; C137-F139 HydrophobicContact CB-CE1 4.12Å; C137-F139 HydrophobicContact CB-CZ 4.22Å; C137-F139 PolarHBondContact O-N 3.36Å; F139-K143 PolarHBondContact O-NZ 2.68Å
140	L	97.6	Very high	98	Very high	16 Å²	16	33.7 Å²	33.7	8%	0.084	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-90.9	-11	173.2	-60.3	-175.6	0	0	0	112.9	F78 F131 C137 D138 G142 K143 H144	F78-L140 HydrophobicContact CE2-CD1 3.93Å; F78-L140 HydrophobicContact CZ-CD1 4.18Å; F131-L140 HydrophobicContact CE2-CD1 3.68Å; F131-L140 HydrophobicContact CZ-CD1 3.64Å; C137-L140 HydrophobicContact CB-CD1 3.76Å; C137-L140 HydrophobicContact CB-CG 4.03Å; C137-L140 WeakPolarHBondContact O-CB 3.38Å; C137-L140 PolarHBondContact O-N 2.99Å; D138-L140 PolarHBondContact O-N 3.15Å; D138-L140 VanDerWaalsContact O-N 3.16Å; L140-G142 PolarHBondContact O-N 2.83Å; L140-K143 WeakPolarHBondContact O-CB 3.5Å; L140-K143 PolarHBondContact O-N 2.65Å; L140-K143 VanDerWaalsContact O-N 3.12Å; L140-H144 PolarHBondContact O-N 3.33Å
141	D	97.3	Very high	97.9	Very high	45 Å²	45	35.5 Å²	35.5	24%	0.241	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	137.4	179.3	-66.9	-19.4	0	0	0	111.1	K109 H110 D138 K143	K109-D141 WeakPolarHBondContact CA-OD1 3.47Å; K109-D141 HydrophobicContact CD-CB 4.06Å; K109-D141 WeakPolarHBondContact CD-OD2 3.29Å; H110-D141 IonicContact CE1-OD1 3.83Å; H110-D141 IonicContact CG-OD1 3.59Å; H110-D141 PolarHBondContact N-OD1 3.4Å; H110-D141 IonicContact ND1-OD1 2.77Å; H110-D141 PolarHBondContact ND1-OD1 2.83Å; D138-D141 VanDerWaalsContact O-CB 3.28Å; D138-D141 WeakPolarHBondContact O-CB 3.25Å; D138-D141 PolarHBondContact O-N 3.12Å; D141-K143 PolarHBondContact O-N 3.18Å
142	G	97	Very high	97.8	Very high	43 Å²	43	38.2 Å²	38.2	44%	0.443	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	3.9	-175.6	0	0	0	0	0	114.8	L140	L140-G142 PolarHBondContact O-N 2.83Å
143	K	97.6	Very high	97.7	Very high	119 Å²	119	38.9 Å²	38.9	52%	0.517	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-33.4	178.8	-59	172.2	-172.2	159.4	0	113.1	N120 F139 L140 D141	N120-K143 PolarHBondContact ND2-O 2.96Å; F139-K143 PolarHBondContact O-NZ 2.68Å; L140-K143 WeakPolarHBondContact O-CB 3.5Å; L140-K143 PolarHBondContact O-N 2.65Å; L140-K143 VanDerWaalsContact O-N 3.12Å; D141-K143 PolarHBondContact O-N 3.18Å
144	H	98.3	Very high	97.7	Very high	32 Å²	32	41.4 Å²	41.4	15%	0.148	23%	0.225	C	C	.	.	S	Bend	trans	-125.4	130.5	-179	-60.9	-81	0	0	0	110	H110 S117 M118 N120 F131 L140 V146	H110-H144 PolarHBondContact CE1-O 3.44Å; S117-H144 VanDerWaalsContact OG-CB 3.29Å; S117-H144 WeakPolarHBondContact OG-CB 3.49Å; M118-H144 WeakPolarHBondContact O-CB 2.95Å; M118-H144 PolarHBondContact O-ND1 3.46Å; N120-H144 PolarHBondContact OD1-CE1 3.5Å; N120-H144 VanDerWaalsContact OD1-CE1 3.29Å; F131-H144 HydrophobicContact CE1-CB 4.01Å; F131-H144 AromaticContact CE1-CG 3.9Å; F131-H144 AromaticContact CE1-ND1 3.92Å; F131-H144 HydrophobicContact CZ-CB 3.96Å; L140-H144 PolarHBondContact O-N 3.33Å; H144-V146 PolarHBondContact O-N 3.25Å
145	V	98.5	Very high	97.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.254	C	S	.	.			trans	-75.3	113.6	-179.7	179	0	0	0	0	109	V42 T45 D103 F106 S117 M118	V42-V145 HydrophobicContact CG1-CG1 3.94Å; T45-V145 HydrophobicContact CG2-CG1 4.2Å; D103-V145 HydrophobicContact CB-CG2 3.91Å; F106-V145 HydrophobicContact CD1-CG2 4.37Å; F106-V145 HydrophobicContact CE1-CG2 3.92Å; S117-V145 VanDerWaalsContact CA-O 3.31Å; S117-V145 WeakPolarHBondContact CA-O 3.43Å; S117-V145 PolarHBondContact OG-O 3.29Å; M118-V145 HydrophobicContact CB-CB 4.5Å; M118-V145 HydrophobicContact CG-CB 4.34Å; M118-V145 PolarHBondContact N-O 3.42Å
146	V	98.7	Very high	97.7	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.024	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	126.1	168.3	170	0	0	0	0	108.7	F38 L108 I115 L116 H144	F38-V146 HydrophobicContact CD2-CG1 4.45Å; F38-V146 HydrophobicContact CE2-CG1 4.15Å; L108-V146 HydrophobicContact CB-CB 3.7Å; L108-V146 HydrophobicContact CB-CG1 3.67Å; L108-V146 HydrophobicContact CD1-CG1 4.14Å; I115-V146 HydrophobicContact CG2-CB 4.18Å; I115-V146 HydrophobicContact CG2-CG1 3.39Å; I115-V146 HydrophobicContact CG2-CG2 3.77Å; L116-V146 WeakPolarHBondContact O-CA 3.14Å; H144-V146 PolarHBondContact O-N 3.25Å
147	F	98.7	Very high	97.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	-0.7	-173.5	70.1	-94.2	0	0	0	115	L37 F38 V42 T45 F49 L116 M118 F130	L37-F147 HydrophobicContact CD2-CD2 4.15Å; L37-F147 HydrophobicContact CD2-CE2 4.09Å; F38-F147 VanDerWaalsContact CD2-C 3.46Å; F38-F147 PolarHBondContact N-O 2.82Å; V42-F147 HydrophobicContact CG2-CB 3.65Å; T45-F147 HydrophobicContact CG2-CB 3.61Å; T45-F147 HydrophobicContact CG2-CD1 4.03Å; T45-F147 HydrophobicContact CG2-CG 3.88Å; F49-F147 HydrophobicContact CB-CD2 4.27Å; F49-F147 HydrophobicContact CB-CE2 3.82Å; F49-F147 HydrophobicContact CB-CZ 4.49Å; F49-F147 AromaticContact CD1-CE2 3.84Å; F49-F147 HydrophobicContact CD1-CE2 3.84Å; F49-F147 AromaticContact CD2-CE2 3.38Å; F49-F147 HydrophobicContact CD2-CE2 3.38Å; F49-F147 AromaticContact CD2-CZ 3.37Å; F49-F147 HydrophobicContact CD2-CZ 3.37Å; F49-F147 HydrophobicContact CE1-CE2 4.2Å; F49-F147 AromaticContact CE2-CE2 3.81Å; F49-F147 HydrophobicContact CE2-CE2 3.81Å; F49-F147 AromaticContact CE2-CZ 3.58Å; F49-F147 HydrophobicContact CE2-CZ 3.58Å; F49-F147 HydrophobicContact CG-CD2 4.28Å; F49-F147 AromaticContact CG-CE2 3.39Å; F49-F147 HydrophobicContact CG-CE2 3.39Å; F49-F147 AromaticContact CG-CZ 3.92Å; F49-F147 HydrophobicContact CG-CZ 3.92Å; F49-F147 HydrophobicContact CZ-CE2 4.19Å; F49-F147 HydrophobicContact CZ-CZ 4.25Å; L116-F147 HydrophobicContact CB-CD2 4.35Å; L116-F147 HydrophobicContact CB-CE1 4.17Å; L116-F147 HydrophobicContact CB-CE2 3.87Å; L116-F147 HydrophobicContact CB-CZ 3.78Å; L116-F147 HydrophobicContact CD2-CE2 3.81Å; L116-F147 HydrophobicContact CD2-CZ 4.11Å; L116-F147 HydrophobicContact CG-CE2 4.46Å; L116-F147 HydrophobicContact CG-CZ 4.43Å; L116-F147 PolarHBondContact O-N 2.76Å; M118-F147 HydrophobicContact CG-CD1 3.74Å; M118-F147 HydrophobicContact CG-CE1 3.96Å; M118-F147 HydrophobicContact SD-CD1 3.71Å; M118-F147 HydrophobicContact SD-CE1 3.43Å; M118-F147 WeakPolarHBondContact SD-CE1 3.08Å; M118-F147 HydrophobicContact SD-CZ 4.15Å; F130-F147 HydrophobicContact CB-CE1 4.1Å; F130-F147 HydrophobicContact CB-CZ 3.93Å
148	G	98.6	Very high	97.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	-176.9	177	0	0	0	0	0	113.6	E36 F38 L116	E36-G148 CarbonylContact O-C 3.45Å; E36-G148 WeakPolarHBondContact O-CA 3.43Å; F38-G148 VanDerWaalsContact CD2-CA 3.42Å; F38-G148 VanDerWaalsContact CD2-N 3.28Å; F38-G148 WeakPolarHBondContact CE2-O 3.44Å; L116-G148 PolarHBondContact N-O 3.42Å; L116-G148 PolarHBondContact O-N 2.95Å
149	R	98.5	Very high	97.9	Very high	79 Å²	79	45.7 Å²	45.7	30%	0.298	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	151.1	171.4	65.8	-179.3	174.5	160.8	5.9	111.7	S10 A35 E36 F38 G114 I115 I151	S10-R149 PolarHBondContact O-NH2 2.82Å; A35-R149 CarbonylContact C-O 3.47Å; A35-R149 WeakPolarHBondContact CA-O 3.31Å; A35-R149 WeakPolarHBondContact CB-O 3.3Å; E36-R149 HydrophobicContact CB-CG 4.32Å; E36-R149 PolarHBondContact N-O 3.12Å; E36-R149 PolarHBondContact O-N 2.88Å; E36-R149 IonicContact OE2-CZ 3.32Å; E36-R149 VanDerWaalsContact OE2-CZ 3.32Å; E36-R149 IonicContact OE2-NE 2.9Å; E36-R149 PolarHBondContact OE2-NE 3.08Å; E36-R149 IonicContact OE2-NH2 2.82Å; E36-R149 PolarHBondContact OE2-NH2 2.88Å; F38-R149 HydrophobicContact CE1-CG 3.89Å; F38-R149 HydrophobicContact CZ-CB 3.81Å; F38-R149 HydrophobicContact CZ-CG 3.61Å; G114-R149 CarbonylContact O-C 3.5Å; G114-R149 VanDerWaalsContact O-CA 3.25Å; G114-R149 WeakPolarHBondContact O-CA 3.46Å; I115-R149 HydrophobicContact CD1-CB 4.31Å; R149-I151 HydrophobicContact CG-CG2 4Å; R149-I151 PolarHBondContact O-N 2.94Å
150	V	98.3	Very high	97.9	Very high	21 Å²	21	39.8 Å²	39.8	13%	0.127	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	124.9	167	-179.7	0	0	0	0	108.3	F33 K34 G114 L116 I132 D152 M154 V157	F33-V150 HydrophobicContact CB-CG1 4.39Å; F33-V150 HydrophobicContact CD2-CG2 4.38Å; K34-V150 WeakPolarHBondContact O-CA 3.47Å; G114-V150 PolarHBondContact O-N 3.25Å; L116-V150 HydrophobicContact CD1-CG2 3.84Å; I132-V150 HydrophobicContact CD1-CG2 4.43Å; I132-V150 HydrophobicContact CG2-CG2 4Å; V150-D152 VanDerWaalsContact CG1-O 3.29Å; V150-D152 WeakPolarHBondContact CG1-O 3.49Å; V150-M154 HydrophobicContact CB-SD 4.41Å; V150-M154 HydrophobicContact CG1-CB 4.44Å; V150-M154 HydrophobicContact CG1-SD 4.34Å; V150-V157 HydrophobicContact CG2-CG2 4.17Å
151	I	97.2	Very high	98	Very high	38 Å²	38	39.2 Å²	39.2	20%	0.195	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-19.9	179.4	60.1	-178.1	0	0	0	112.3	I7 L11 V18 K34 E36 R149	I7-I151 HydrophobicContact CG2-CD1 3.58Å; L11-I151 HydrophobicContact CD2-CD1 3.82Å; V18-I151 HydrophobicContact CG1-CD1 3.69Å; V18-I151 HydrophobicContact CG2-CD1 4.06Å; K34-I151 HydrophobicContact CB-CG1 4.03Å; K34-I151 PolarHBondContact O-N 3.11Å; E36-I151 HydrophobicContact CB-CD1 4.31Å; E36-I151 HydrophobicContact CB-CG2 3.65Å; R149-I151 HydrophobicContact CG-CG2 4Å; R149-I151 PolarHBondContact O-N 2.94Å
152	D	96.1	Very high	98	Very high	67 Å²	67	41.3 Å²	41.3	36%	0.358	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	152.6	176	-177.1	25.6	0	0	0	109.8	F33 K34 V150	F33-D152 WeakPolarHBondContact CA-O 3.27Å; K34-D152 HydrophobicContact CB-CB 4.14Å; K34-D152 HydrophobicContact CD-CB 3.9Å; K34-D152 WeakPolarHBondContact CD-OD2 3.47Å; K34-D152 WeakPolarHBondContact CE-OD2 3.4Å; K34-D152 HydrophobicContact CG-CB 4.3Å; K34-D152 PolarHBondContact N-O 3.06Å; K34-D152 IonicContact NZ-OD2 2.81Å; K34-D152 PolarHBondContact NZ-OD2 3.14Å; K34-D152 PolarHBondContact O-N 3.3Å; V150-D152 VanDerWaalsContact CG1-O 3.29Å; V150-D152 WeakPolarHBondContact CG1-O 3.49Å
153	G	96.5	Very high	98	Very high	14 Å²	14	40.4 Å²	40.4	14%	0.144	20%	0.199	C	C	.	.			trans	77.4	27.6	178.7	0	0	0	0	0	114.9	T32 L155 T156	T32-G153 WeakPolarHBondContact O-CA 3.4Å; G153-L155 PolarHBondContact O-N 3.25Å; G153-L155 VanDerWaalsContact O-N 3.13Å; G153-T156 WeakPolarHBondContact O-CA 3.29Å; G153-T156 VanDerWaalsContact O-CB 3.22Å; G153-T156 WeakPolarHBondContact O-CB 3.49Å; G153-T156 PolarHBondContact O-N 2.87Å; G153-T156 PolarHBondContact O-OG1 3.44Å
154	M	97.9	Very high	98	Very high	53 Å²	53	39 Å²	39	26%	0.261	20%	0.202	S	C	.	.	H	α-helix	trans	-57	-27.4	172.6	-168.3	62	-164.3	0	0	112.3	A113 V150 T156 V157 R158	A113-M154 HydrophobicContact CB-CE 3.96Å; V150-M154 HydrophobicContact CB-SD 4.41Å; V150-M154 HydrophobicContact CG1-CB 4.44Å; V150-M154 HydrophobicContact CG1-SD 4.34Å; M154-T156 VanDerWaalsContact C-N 3.26Å; M154-T156 PolarHBondContact O-N 2.95Å; M154-V157 HydrophobicContact CE-CB 4.12Å; M154-V157 HydrophobicContact CE-CG1 3.88Å; M154-V157 WeakPolarHBondContact O-CB 3.31Å; M154-V157 PolarHBondContact O-N 2.83Å; M154-V157 HydrophobicContact SD-CB 3.97Å; M154-V157 HydrophobicContact SD-CG1 4.26Å; M154-V157 HydrophobicContact SD-CG2 4.21Å; M154-R158 WeakPolarHBondContact O-CG 3.14Å; M154-R158 PolarHBondContact O-N 3Å
155	L	98	Very high	98	Very high	123 Å²	123	40.1 Å²	40.1	64%	0.644	21%	0.21	S	C	*	.	H	α-helix	trans	-58.9	-36.4	171.9	-177	62.9	0	0	0	112.3	G153 R158 K159	G153-L155 PolarHBondContact O-N 3.25Å; G153-L155 VanDerWaalsContact O-N 3.13Å; L155-R158 PolarHBondContact O-N 3.2Å; L155-K159 WeakPolarHBondContact O-CG 3.49Å; L155-K159 PolarHBondContact O-N 2.65Å
156	T	98.4	Very high	98	Very high	8 Å²	8	43.8 Å²	43.8	5%	0.049	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-45.2	175.2	-55.1	0	0	0	0	110.3	M23 L30 T32 F33 G153 M154 R158 K159 I160	M23-T156 HydrophobicContact CB-CG2 3.8Å; M23-T156 HydrophobicContact CG-CG2 3.8Å; L30-T156 HydrophobicContact CB-CG2 4.35Å; T32-T156 PolarHBondContact N-OG1 3.02Å; T32-T156 PolarHBondContact O-OG1 3.43Å; F33-T156 HydrophobicContact CD1-CG2 4.24Å; G153-T156 WeakPolarHBondContact O-CA 3.29Å; G153-T156 VanDerWaalsContact O-CB 3.22Å; G153-T156 WeakPolarHBondContact O-CB 3.49Å; G153-T156 PolarHBondContact O-N 2.87Å; G153-T156 PolarHBondContact O-OG1 3.44Å; M154-T156 VanDerWaalsContact C-N 3.26Å; M154-T156 PolarHBondContact O-N 2.95Å; T156-R158 VanDerWaalsContact C-N 3.33Å; T156-R158 PolarHBondContact O-N 3.22Å; T156-K159 WeakPolarHBondContact O-CB 3.23Å; T156-K159 PolarHBondContact O-N 2.81Å; T156-I160 WeakPolarHBondContact O-CG1 3.31Å; T156-I160 PolarHBondContact O-N 3.11Å; T156-I160 VanDerWaalsContact O-N 3.08Å
157	V	98.5	Very high	97.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-42.3	174.8	-178.6	0	0	0	0	111	F33 V80 I132 V150 M154 K159 I160 E161	F33-V157 HydrophobicContact CB-CG2 4.39Å; F33-V157 HydrophobicContact CD1-CG2 4.32Å; F33-V157 HydrophobicContact CG-CG2 4.29Å; V80-V157 HydrophobicContact CG2-CG1 4.05Å; I132-V157 HydrophobicContact CB-CG1 4.46Å; I132-V157 HydrophobicContact CD1-CG2 4.21Å; I132-V157 HydrophobicContact CG2-CG1 3.97Å; V150-V157 HydrophobicContact CG2-CG2 4.17Å; M154-V157 HydrophobicContact CE-CB 4.12Å; M154-V157 HydrophobicContact CE-CG1 3.88Å; M154-V157 WeakPolarHBondContact O-CB 3.31Å; M154-V157 PolarHBondContact O-N 2.83Å; M154-V157 HydrophobicContact SD-CB 3.97Å; M154-V157 HydrophobicContact SD-CG1 4.26Å; M154-V157 HydrophobicContact SD-CG2 4.21Å; V157-K159 PolarHBondContact O-N 3.32Å; V157-I160 WeakPolarHBondContact O-CB 3.45Å; V157-I160 PolarHBondContact O-N 2.99Å; V157-E161 WeakPolarHBondContact O-CB 3.47Å; V157-E161 PolarHBondContact O-N 2.87Å
158	R	98.3	Very high	97.7	Very high	77 Å²	77	55.4 Å²	55.4	29%	0.291	30%	0.299	S	S	.	.	H	α-helix	trans	-64.5	-35.3	175.6	-66.1	-59.2	-176.6	-173.5	-3.8	112.9	C134 M154 L155 T156 I160 E161 N162	C134-R158 VanDerWaalsContact O-CZ 3.3Å; C134-R158 PolarHBondContact O-NH1 3.48Å; C134-R158 PolarHBondContact O-NH2 3.34Å; M154-R158 WeakPolarHBondContact O-CG 3.14Å; M154-R158 PolarHBondContact O-N 3Å; L155-R158 PolarHBondContact O-N 3.2Å; T156-R158 VanDerWaalsContact C-N 3.33Å; T156-R158 PolarHBondContact O-N 3.22Å; R158-I160 VanDerWaalsContact C-N 3.35Å; R158-E161 WeakPolarHBondContact CD-OE2 3.39Å; R158-E161 IonicContact CZ-OE2 3.63Å; R158-E161 IonicContact NE-OE2 3.75Å; R158-E161 VanDerWaalsContact NH1-CD 3.32Å; R158-E161 IonicContact NH1-OE1 3.23Å; R158-E161 PolarHBondContact NH1-OE1 2.85Å; R158-E161 IonicContact NH1-OE2 2.74Å; R158-E161 PolarHBondContact NH1-OE2 2.8Å; R158-E161 PolarHBondContact O-N 3.42Å; R158-N162 PolarHBondContact O-N 2.9Å; R158-N162 PolarHBondContact O-ND2 2.97Å
159	K	98.2	Very high	97.6	Very high	96 Å²	96	56.9 Å²	56.9	42%	0.417	31%	0.31	S	S	.	.	H	α-helix	trans	-64.5	-40.5	172.8	-72	173.5	-175.4	178.7	0	111.6	L30 L155 T156 V157 N162 A163	L30-K159 HydrophobicContact CD2-CB 4.38Å; L30-K159 WeakPolarHBondContact O-CD 3.15Å; L30-K159 PolarHBondContact O-NZ 3.18Å; L155-K159 WeakPolarHBondContact O-CG 3.49Å; L155-K159 PolarHBondContact O-N 2.65Å; T156-K159 WeakPolarHBondContact O-CB 3.23Å; T156-K159 PolarHBondContact O-N 2.81Å; V157-K159 PolarHBondContact O-N 3.32Å; K159-N162 PolarHBondContact O-N 3.24Å; K159-A163 PolarHBondContact O-N 3.4Å
160	I	98.5	Very high	97.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-49.1	175	-63.6	170.8	0	0	0	110.1	M23 L30 F71 V74 V80 T156 V157 R158 N162 A163 I175	M23-I160 HydrophobicContact CB-CD1 4.33Å; M23-I160 HydrophobicContact CE-CD1 3.94Å; M23-I160 HydrophobicContact CG-CD1 3.99Å; L30-I160 HydrophobicContact CD1-CG1 3.8Å; F71-I160 HydrophobicContact CB-CG2 4.43Å; F71-I160 HydrophobicContact CD1-CG2 4.38Å; F71-I160 HydrophobicContact CE2-CD1 4.46Å; F71-I160 HydrophobicContact CG-CG2 4.35Å; V74-I160 HydrophobicContact CG2-CG2 3.98Å; V80-I160 HydrophobicContact CB-CG2 3.97Å; V80-I160 HydrophobicContact CG1-CB 4.44Å; V80-I160 HydrophobicContact CG1-CG2 3.74Å; V80-I160 HydrophobicContact CG2-CG2 4.36Å; T156-I160 WeakPolarHBondContact O-CG1 3.31Å; T156-I160 PolarHBondContact O-N 3.11Å; T156-I160 VanDerWaalsContact O-N 3.08Å; V157-I160 WeakPolarHBondContact O-CB 3.45Å; V157-I160 PolarHBondContact O-N 2.99Å; R158-I160 VanDerWaalsContact C-N 3.35Å; I160-N162 VanDerWaalsContact C-N 3.27Å; I160-N162 PolarHBondContact O-N 3.22Å; I160-A163 WeakPolarHBondContact O-CB 3.41Å; I160-A163 PolarHBondContact O-N 2.79Å; I160-A163 VanDerWaalsContact O-N 3.08Å; I160-I175 HydrophobicContact CB-CD1 4.31Å; I160-I175 HydrophobicContact CD1-CG2 4.18Å; I160-I175 HydrophobicContact CG1-CD1 4.48Å; I160-I175 HydrophobicContact CG1-CG2 3.93Å; I160-I175 HydrophobicContact CG2-CD1 3.77Å; I160-I175 HydrophobicContact CG2-CG2 4.21Å
161	E	98.4	Very high	97.6	Very high	5 Å²	5	57 Å²	57	2%	0.023	31%	0.309	C	S	.	.	H	α-helix	trans	-56.2	-38.6	179.1	-178.7	-167.7	-161.2	0	0	113	V74 K76 D77 V80 C134 V157 R158 A163	V74-E161 WeakPolarHBondContact CG1-O 3.34Å; K76-E161 HydrophobicContact CB-CG 4.47Å; K76-E161 HydrophobicContact CG-CG 4.28Å; D77-E161 WeakPolarHBondContact CA-OE1 3.35Å; D77-E161 PolarHBondContact N-OE1 3.43Å; V80-E161 HydrophobicContact CG1-CB 4.14Å; C134-E161 HydrophobicContact CB-CG 4.22Å; C134-E161 WeakPolarHBondContact CB-OE1 3.35Å; V157-E161 WeakPolarHBondContact O-CB 3.47Å; V157-E161 PolarHBondContact O-N 2.87Å; R158-E161 WeakPolarHBondContact CD-OE2 3.39Å; R158-E161 IonicContact CZ-OE2 3.63Å; R158-E161 IonicContact NE-OE2 3.75Å; R158-E161 VanDerWaalsContact NH1-CD 3.32Å; R158-E161 IonicContact NH1-OE1 3.23Å; R158-E161 PolarHBondContact NH1-OE1 2.85Å; R158-E161 IonicContact NH1-OE2 2.74Å; R158-E161 PolarHBondContact NH1-OE2 2.8Å; R158-E161 PolarHBondContact O-N 3.42Å; E161-A163 VanDerWaalsContact C-N 3.3Å; E161-A163 PolarHBondContact O-N 2.81Å
162	N	98	Very high	97.6	Very high	89 Å²	89	61.6 Å²	61.6	48%	0.476	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	6.7	-178.8	-70.6	-72.8	0	0	0	113.6	K76 R158 K159 I160	K76-N162 PolarHBondContact NZ-OD1 3.21Å; R158-N162 PolarHBondContact O-N 2.9Å; R158-N162 PolarHBondContact O-ND2 2.97Å; K159-N162 PolarHBondContact O-N 3.24Å; I160-N162 VanDerWaalsContact C-N 3.27Å; I160-N162 PolarHBondContact O-N 3.22Å
163	A	97.5	Very high	97.6	Very high	24 Å²	24	63.2 Å²	63.2	20%	0.198	34%	0.336	C	S	.	.	S	Bend	trans	-64.7	138.2	175.6	0	0	0	0	0	110.8	K159 I160 E161 V165 I175	K159-A163 PolarHBondContact O-N 3.4Å; I160-A163 WeakPolarHBondContact O-CB 3.41Å; I160-A163 PolarHBondContact O-N 2.79Å; I160-A163 VanDerWaalsContact O-N 3.08Å; E161-A163 VanDerWaalsContact C-N 3.3Å; E161-A163 PolarHBondContact O-N 2.81Å; A163-V165 PolarHBondContact O-N 2.85Å; A163-I175 HydrophobicContact CB-CD1 3.62Å
164	P	97.7	Very high	97.6	Very high	89 Å²	89	66.3 Å²	66.3	58%	0.578	35%	0.353	S	S	*	.			trans	-59.2	131.1	172.7	-24.8	34.7	0	0	0	111.2	K172	P164-K172 HydrophobicContact CB-CD 3.98Å; P164-K172 HydrophobicContact CB-CG 4.35Å; P164-K172 WeakPolarHBondContact O-CB 3.32Å; P164-K172 WeakPolarHBondContact O-CG 3.49Å; P164-K172 PolarHBondContact O-N 3.36Å
165	V	97.9	Very high	97.7	Very high	55 Å²	55	63.9 Å²	63.9	33%	0.333	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-112.3	158.9	-179.4	-61.7	0	0	0	0	112.7	V74 A163 R170 K172	V74-V165 HydrophobicContact CB-CG1 3.93Å; V74-V165 HydrophobicContact CG1-CG1 4.19Å; A163-V165 PolarHBondContact O-N 2.85Å; V165-R170 CarbonylContact C-O 3.57Å; V165-R170 VanDerWaalsContact CA-O 3.31Å; V165-R170 WeakPolarHBondContact CA-O 3.36Å; V165-K172 VanDerWaalsContact O-CE 3.31Å; V165-K172 WeakPolarHBondContact O-CE 3.49Å
166	L	97.3	Very high	97.7	Very high	78 Å²	78	59.6 Å²	59.6	41%	0.408	32%	0.32	S	S	.	.			trans	-78.8	168.4	166.1	-64.3	175.5	0	0	0	110.3	N168 S169 R170 K172	L166-N168 WeakPolarHBondContact CB-OD1 3.44Å; L166-N168 PolarHBondContact O-N 3.45Å; L166-N168 VanDerWaalsContact O-N 3.08Å; L166-S169 WeakPolarHBondContact O-CA 3.46Å; L166-S169 PolarHBondContact O-N 2.87Å; L166-R170 HydrophobicContact CD1-CB 4.48Å; L166-R170 PolarHBondContact N-O 2.88Å; L166-K172 HydrophobicContact CD2-CG 3.93Å; L166-K172 HydrophobicContact CG-CG 4.15Å
167	P	96.2	Very high	97.7	Very high	141 Å²	141	59.2 Å²	59.2	92%	0.916	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.2	-179.4	-28.9	36.8	0	0	0	115.4	S169	P167-S169 PolarHBondContact O-N 3.32Å
168	N	95.6	Very high	97.7	Very high	106 Å²	106	61 Å²	61	57%	0.567	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	16.6	175.3	68.2	-18.4	0	0	0	113.6	L166 R170	L166-N168 WeakPolarHBondContact CB-OD1 3.44Å; L166-N168 PolarHBondContact O-N 3.45Å; L166-N168 VanDerWaalsContact O-N 3.08Å; N168-R170 PolarHBondContact O-N 3.39Å; N168-R170 VanDerWaalsContact OD1-CB 3.3Å; N168-R170 WeakPolarHBondContact OD1-CB 3.49Å; N168-R170 PolarHBondContact OD1-N 3.12Å
169	S	97.6	Very high	97.7	Very high	31 Å²	31	60.7 Å²	60.7	22%	0.217	33%	0.334	C	S	.	.	S	Bend	trans	65.2	10.7	-177.1	-52.3	0	0	0	0	115.2	R73 V74 L166 P167	R73-S169 WeakPolarHBondContact CA-O 3.45Å; V74-S169 PolarHBondContact N-O 3.26Å; V74-S169 WeakPolarHBondContact O-CB 3.4Å; L166-S169 WeakPolarHBondContact O-CA 3.46Å; L166-S169 PolarHBondContact O-N 2.87Å; P167-S169 PolarHBondContact O-N 3.32Å
170	R	97.5	Very high	97.7	Very high	92 Å²	92	56.6 Å²	56.6	35%	0.347	32%	0.318	S	S	.	.			trans	-76.7	131.9	173.3	-173	171.4	-171.8	122.3	5	110.3	H72 G88 V165 L166 N168 K172	H72-R170 WeakPolarHBondContact O-CA 3.27Å; H72-R170 WeakPolarHBondContact O-CG 3.37Å; G88-R170 PolarHBondContact O-NH1 2.77Å; G88-R170 PolarHBondContact O-NH2 2.92Å; G88-R170 VanDerWaalsContact O-NH2 3.11Å; V165-R170 CarbonylContact C-O 3.57Å; V165-R170 VanDerWaalsContact CA-O 3.31Å; V165-R170 WeakPolarHBondContact CA-O 3.36Å; L166-R170 HydrophobicContact CD1-CB 4.48Å; L166-R170 PolarHBondContact N-O 2.88Å; N168-R170 PolarHBondContact O-N 3.39Å; N168-R170 VanDerWaalsContact OD1-CB 3.3Å; N168-R170 WeakPolarHBondContact OD1-CB 3.49Å; N168-R170 PolarHBondContact OD1-N 3.12Å; R170-K172 PolarHBondContact O-N 3.3Å
171	P	97.8	Very high	97.7	Very high	10 Å²	10	57 Å²	57	7%	0.065	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-53.8	136.5	173.7	-29.9	38.3	0	0	0	112.8	F71 V74 L173 I175	F71-P171 WeakPolarHBondContact O-CG 3.34Å; V74-P171 HydrophobicContact CB-CG 4.2Å; V74-P171 HydrophobicContact CG2-CG 3.6Å; P171-L173 VanDerWaalsContact C-N 3.3Å; P171-L173 VanDerWaalsContact CB-O 3.23Å; P171-L173 WeakPolarHBondContact CB-O 3.34Å; P171-L173 PolarHBondContact O-N 2.77Å; P171-I175 HydrophobicContact CB-CD1 3.96Å; P171-I175 HydrophobicContact CB-CG1 4.1Å; P171-I175 HydrophobicContact CG-CD1 3.86Å; P171-I175 HydrophobicContact CG-CG1 4.31Å
172	K	97.6	Very high	97.6	Very high	135 Å²	135	60.9 Å²	60.9	59%	0.587	34%	0.34	S	S	*	.	S	Bend	trans	-64.8	-36.4	176.5	-69.8	-172.7	-175.9	180	0	112	P164 V165 L166 R170	P164-K172 HydrophobicContact CB-CD 3.98Å; P164-K172 HydrophobicContact CB-CG 4.35Å; P164-K172 WeakPolarHBondContact O-CB 3.32Å; P164-K172 WeakPolarHBondContact O-CG 3.49Å; P164-K172 PolarHBondContact O-N 3.36Å; V165-K172 VanDerWaalsContact O-CE 3.31Å; V165-K172 WeakPolarHBondContact O-CE 3.49Å; L166-K172 HydrophobicContact CD2-CG 3.93Å; L166-K172 HydrophobicContact CG-CG 4.15Å; R170-K172 PolarHBondContact O-N 3.3Å
173	L	96.7	Very high	97.4	Very high	102 Å²	102	61.3 Å²	61.3	53%	0.534	34%	0.34	S	S	.	.	S	Bend	trans	-102.5	139.1	171.9	-64	177.4	0	0	0	108.9	A26 P171 I175	A26-L173 HydrophobicContact CB-CB 4.44Å; A26-L173 HydrophobicContact CB-CD2 4.28Å; P171-L173 VanDerWaalsContact C-N 3.3Å; P171-L173 VanDerWaalsContact CB-O 3.23Å; P171-L173 WeakPolarHBondContact CB-O 3.34Å; P171-L173 PolarHBondContact O-N 2.77Å; L173-I175 PolarHBondContact O-N 3.04Å; L173-I175 VanDerWaalsContact O-N 3.15Å
174	P	96.5	Very high	97.4	Very high	78 Å²	78	63.2 Å²	63.2	51%	0.506	35%	0.347	S	S	.	.			trans	-65	117.4	179.5	26.3	-33.6	0	0	0	110.3	A25 A26	A25-P174 WeakPolarHBondContact CA-O 3.46Å; A26-P174 HydrophobicContact CB-CG 4.49Å; A26-P174 PolarHBondContact N-O 2.85Å
175	I	98.4	Very high	97.4	Very high	3 Å²	3	61.8 Å²	61.8	2%	0.015	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	113.1	172	-60.3	177.9	0	0	0	107.8	M23 T24 L30 C70 F71 I160 A163 P171 L173	M23-I175 HydrophobicContact CE-CG2 3.79Å; T24-I175 CarbonylContact O-C 3.38Å; T24-I175 VanDerWaalsContact O-CA 3.27Å; T24-I175 WeakPolarHBondContact O-CA 3.38Å; L30-I175 HydrophobicContact CD1-CG2 4.08Å; C70-I175 CarbonylContact C-O 3.55Å; C70-I175 WeakPolarHBondContact CA-O 3.48Å; C70-I175 VanDerWaalsContact CB-O 3.23Å; C70-I175 WeakPolarHBondContact CB-O 3.14Å; F71-I175 HydrophobicContact CB-CB 4.25Å; F71-I175 HydrophobicContact CB-CG2 4.12Å; F71-I175 HydrophobicContact CD2-CG2 4.23Å; F71-I175 HydrophobicContact CG-CG2 4.46Å; F71-I175 PolarHBondContact N-O 3.49Å; I160-I175 HydrophobicContact CB-CD1 4.31Å; I160-I175 HydrophobicContact CD1-CG2 4.18Å; I160-I175 HydrophobicContact CG1-CD1 4.48Å; I160-I175 HydrophobicContact CG1-CG2 3.93Å; I160-I175 HydrophobicContact CG2-CD1 3.77Å; I160-I175 HydrophobicContact CG2-CG2 4.21Å; A163-I175 HydrophobicContact CB-CD1 3.62Å; P171-I175 HydrophobicContact CB-CD1 3.96Å; P171-I175 HydrophobicContact CB-CG1 4.1Å; P171-I175 HydrophobicContact CG-CD1 3.86Å; P171-I175 HydrophobicContact CG-CG1 4.31Å; L173-I175 PolarHBondContact O-N 3.04Å; L173-I175 VanDerWaalsContact O-N 3.15Å
176	T	98.5	Very high	97.3	Very high	32 Å²	32	62.2 Å²	62.2	20%	0.196	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.5	-168	-49.7	0	0	0	0	110.7	T24 S69 A178	T24-T176 PolarHBondContact N-O 3.16Å; T24-T176 PolarHBondContact O-N 2.88Å; T24-T176 PolarHBondContact OG1-O 2.81Å; S69-T176 WeakPolarHBondContact O-CA 3.49Å; S69-T176 WeakPolarHBondContact O-CG2 3.35Å; T176-A178 PolarHBondContact O-N 3Å
177	V	98.6	Very high	97.3	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	98	168.1	-177.3	0	0	0	0	108	F21 E22 M23 Y66 N68 S69 F71 C180	F21-V177 HydrophobicContact CD1-CB 4.38Å; F21-V177 HydrophobicContact CD1-CG1 3.62Å; F21-V177 HydrophobicContact CD1-CG2 3.79Å; F21-V177 HydrophobicContact CE1-CG1 4.2Å; F21-V177 HydrophobicContact CE1-CG2 4.18Å; E22-V177 CarbonylContact O-C 3.55Å; M23-V177 HydrophobicContact CE-CG2 3.96Å; M23-V177 HydrophobicContact SD-CB 4.4Å; M23-V177 HydrophobicContact SD-CG2 3.91Å; Y66-V177 VanDerWaalsContact O-CB 3.29Å; Y66-V177 WeakPolarHBondContact O-CB 3.39Å; N68-V177 WeakPolarHBondContact CA-O 3.44Å; N68-V177 PolarHBondContact N-O 3.25Å; S69-V177 PolarHBondContact O-N 3.36Å; F71-V177 HydrophobicContact CE2-CG2 4.26Å; V177-C180 HydrophobicContact CG1-CB 3.78Å
178	A	98.2	Very high	97.4	Very high	36 Å²	36	56.3 Å²	56.3	30%	0.298	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	-37.9	-178.7	0	0	0	0	0	111.9	E22 T24 T176	E22-A178 PolarHBondContact O-N 2.95Å; T24-A178 HydrophobicContact CG2-CB 3.68Å; T176-A178 PolarHBondContact O-N 3Å
179	Q	98.3	Very high	97.5	Very high	71 Å²	71	53 Å²	53	33%	0.332	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	147.2	174.5	-173.7	72.1	-66.4	0	0	109.1	F20 E22	F20-Q179 HydrophobicContact CE2-CG 3.89Å; F20-Q179 HydrophobicContact CZ-CG 4.21Å; E22-Q179 HydrophobicContact CB-CB 4.07Å; E22-Q179 HydrophobicContact CG-CB 4.07Å; E22-Q179 PolarHBondContact N-O 2.78Å; E22-Q179 WeakPolarHBondContact OE2-CB 3.47Å
180	C	98.4	Very high	97.5	Very high	10 Å²	10	54.6 Å²	54.6	7%	0.068	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	164.8	168.8	56.5	0	0	0	0	109.5	F20 F21 C53 K67 V177	F20-C180 WeakPolarHBondContact O-CA 3.33Å; F20-C180 WeakPolarHBondContact O-CB 3.48Å; F21-C180 HydrophobicContact CD1-CB 4.21Å; F21-C180 HydrophobicContact CE1-CB 4.33Å; F21-C180 HydrophobicContact CG-CB 4.4Å; C53-C180 CarbonylContact O-C 3.52Å; C53-C180 PolarHBondContact O-SG 3.37Å; K67-C180 PolarHBondContact N-SG 3.22Å; V177-C180 HydrophobicContact CG1-CB 3.78Å
181	G	98.2	Very high	97.5	Very high	8 Å²	8	51.7 Å²	51.7	8%	0.082	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.6	-169.3	178.9	0	0	0	0	0	111.4	V19 F20 C53	V19-G181 CarbonylContact C-O 3.45Å; V19-G181 WeakPolarHBondContact CA-O 3.45Å; V19-G181 VanDerWaalsContact CB-O 3.29Å; V19-G181 WeakPolarHBondContact CB-O 3.5Å; F20-G181 WeakPolarHBondContact CD1-O 3.28Å; F20-G181 PolarHBondContact N-O 2.63Å; F20-G181 PolarHBondContact O-N 3.18Å; C53-G181 WeakPolarHBondContact O-CA 3.44Å; C53-G181 PolarHBondContact O-N 2.76Å
182	Q	97	Very high	97.5	Very high	87 Å²	87	55.2 Å²	55.2	41%	0.407	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	145.9	172.6	-172.6	175	-22.7	0	0	109.6	V18 R50 T54	V18-Q182 WeakPolarHBondContact O-CG 3.49Å; R50-Q182 VanDerWaalsContact CD-OE1 3.32Å; T54-Q182 HydrophobicContact CG2-CB 3.8Å
183	M	93.3	Very high	97.5	Very high	99 Å²	99	47.9 Å²	47.9	49%	0.488	27%	0.267	S	S	.	.			trans	-82.5	0	174.2	-69.1	-166.2	68.8	0	0	113.1	W4 I7 V18 F20 K34	W4-M183 HydrophobicContact CE3-CE 3.6Å; W4-M183 HydrophobicContact CE3-SD 4.33Å; W4-M183 HydrophobicContact CH2-CB 3.78Å; W4-M183 HydrophobicContact CZ3-CB 3.73Å; W4-M183 HydrophobicContact CZ3-CE 3.69Å; W4-M183 HydrophobicContact CZ3-CG 4.41Å; W4-M183 HydrophobicContact CZ3-SD 3.82Å; I7-M183 HydrophobicContact CD1-CE 4.28Å; V18-M183 HydrophobicContact CB-CB 4.23Å; V18-M183 HydrophobicContact CG1-CB 4.18Å; V18-M183 HydrophobicContact CG1-CG 4Å; V18-M183 HydrophobicContact CG1-SD 3.58Å; V18-M183 VanDerWaalsContact CG1-SD 3.58Å; V18-M183 PolarHBondContact O-N 2.8Å; F20-M183 HydrophobicContact CB-CG 4.31Å; F20-M183 HydrophobicContact CD1-CG 4.09Å; K34-M183 HydrophobicContact CB-SD 4.13Å; K34-M183 HydrophobicContact CD-CE 3.91Å; K34-M183 HydrophobicContact CD-SD 3.42Å; K34-M183 WeakPolarHBondContact CD-SD 3.38Å; K34-M183 HydrophobicContact CG-SD 3.66Å

Retrieved 183 of 183 residues in 287.5 ms (Link to these results)

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