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3-hexulose-6-phosphate synthase

Catalyzes the condensation of ribulose 5-phosphate with formaldehyde to form 3-hexulose 6-phosphate.

AlphaFold DB , UniProt , Accession Q2G0K7, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene n/a, Length 210 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	96.4	Very high	97.3	Very high	71 Å²	71	34.8 Å²	34.8	35%	0.35	18%	0.181	S	C	.	.				0	124	0	179.6	-174.6	-56.6	0	0	106.9	V177 P181 D182 V184 I207 K210	M1-V177 HydrophobicContact CE-CB 4.43Å; M1-V177 HydrophobicContact CE-CG1 4.09Å; M1-V177 HydrophobicContact CE-CG2 4.46Å; M1-V177 HydrophobicContact SD-CB 4.48Å; M1-V177 HydrophobicContact SD-CG1 4.38Å; M1-V177 HydrophobicContact SD-CG2 3.88Å; M1-P181 HydrophobicContact CE-CG 3.95Å; M1-P181 VanDerWaalsContact CE-O 3.27Å; M1-P181 WeakPolarHBondContact CE-O 3.41Å; M1-P181 WeakPolarHBondContact CG-O 3.47Å; M1-P181 HydrophobicContact SD-CG 4.21Å; M1-D182 CarbonylContact C-O 3.59Å; M1-D182 WeakPolarHBondContact CA-O 3.26Å; M1-V184 HydrophobicContact CG-CG2 4.1Å; M1-V184 HydrophobicContact SD-CG2 3.58Å; M1-V184 VanDerWaalsContact SD-CG2 3.58Å; M1-I207 HydrophobicContact CB-CG2 3.87Å; M1-I207 HydrophobicContact CG-CG2 3.96Å; M1-I207 HydrophobicContact SD-CB 4.34Å; M1-I207 HydrophobicContact SD-CD1 4.3Å; M1-I207 HydrophobicContact SD-CG1 3.77Å; M1-I207 HydrophobicContact SD-CG2 3.94Å; M1-K210 HydrophobicContact CE-CD 4.5Å
2	E	98.2	Very high	97.4	Very high	36 Å²	36	36.3 Å²	36.3	17%	0.168	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	150.5	179.1	-66.8	174.2	112.6	0	0	109.3	D27 K55 Y130 K161 D182 L183 V184	E2-D27 WeakPolarHBondContact CA-OD2 2.96Å; E2-D27 HydrophobicContact CB-CB 4.03Å; E2-D27 HydrophobicContact CG-CB 4.24Å; E2-K55 IonicContact OE1-NZ 3.53Å; E2-K55 PolarHBondContact OE1-NZ 3.36Å; E2-Y130 PolarHBondContact OE2-OH 2.92Å; E2-K161 IonicContact OE2-NZ 3.51Å; E2-K161 PolarHBondContact OE2-NZ 3.19Å; E2-K161 VanDerWaalsContact OE2-NZ 3.08Å; E2-D182 PolarHBondContact N-O 3.47Å; E2-L183 HydrophobicContact CB-CD1 3.52Å; E2-L183 WeakPolarHBondContact O-CA 3.41Å; E2-V184 PolarHBondContact O-N 2.93Å
3	L	98.6	Very high	97.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.5	170.4	-177.5	62.3	0	0	0	109.6	Y25 V26 D27 I28 I173 V184 V186 C203 I207	L3-Y25 WeakPolarHBondContact CD2-O 3.32Å; L3-V26 HydrophobicContact CD2-CG1 4.01Å; L3-V26 HydrophobicContact CG-CG1 4.15Å; L3-D27 PolarHBondContact N-OD2 3.49Å; L3-D27 PolarHBondContact O-N 3.12Å; L3-I28 PolarHBondContact O-N 2.95Å; L3-I173 HydrophobicContact CD1-CD1 4.47Å; L3-V184 HydrophobicContact CD1-CB 4.47Å; L3-V186 HydrophobicContact CD1-CG2 3.83Å; L3-C203 HydrophobicContact CD1-CB 4.19Å; L3-C203 HydrophobicContact CD2-CB 3.73Å; L3-I207 HydrophobicContact CB-CD1 3.71Å; L3-I207 HydrophobicContact CD1-CD1 3.76Å; L3-I207 HydrophobicContact CD2-CD1 4.43Å; L3-I207 HydrophobicContact CG-CD1 4.15Å
4	Q	98.8	Very high	97.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.3	174.9	175.4	171.1	-47.7	0	0	111.1	I28 E30 L183 V184 I185 V186	Q4-I28 VanDerWaalsContact CA-O 3.28Å; Q4-I28 WeakPolarHBondContact CA-O 3.37Å; Q4-I28 HydrophobicContact CB-CB 3.94Å; Q4-I28 HydrophobicContact CG-CB 3.89Å; Q4-I28 HydrophobicContact CG-CG2 3.97Å; Q4-E30 HydrophobicContact CG-CB 4.33Å; Q4-E30 PolarHBondContact NE2-OE2 3.01Å; Q4-L183 HydrophobicContact CB-CD1 3.9Å; Q4-V184 PolarHBondContact N-O 3.36Å; Q4-I185 HydrophobicContact CB-CB 4.46Å; Q4-I185 HydrophobicContact CB-CG1 4.09Å; Q4-I185 HydrophobicContact CB-CG2 4.5Å; Q4-I185 HydrophobicContact CG-CG1 4.29Å; Q4-I185 HydrophobicContact CG-CG2 4.18Å; Q4-V186 PolarHBondContact O-N 2.92Å
5	L	98.7	Very high	97.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.3	166.7	169.6	63	0	0	0	109.4	I7 L18 V22 V26 I28 E30 V186 I190 A191	L5-I7 HydrophobicContact CD1-CG1 4.31Å; L5-I7 HydrophobicContact CD2-CD1 3.78Å; L5-I7 HydrophobicContact CD2-CG1 3.81Å; L5-I7 HydrophobicContact CG-CD1 4.21Å; L5-I7 HydrophobicContact CG-CG1 3.71Å; L5-L18 HydrophobicContact CD2-CD2 4.24Å; L5-L18 HydrophobicContact CD2-CG 4.12Å; L5-V22 HydrophobicContact CD2-CG2 3.56Å; L5-V26 HydrophobicContact CB-CG1 4.16Å; L5-I28 PolarHBondContact N-O 3.45Å; L5-E30 WeakPolarHBondContact O-CB 3.33Å; L5-E30 PolarHBondContact O-N 3.23Å; L5-V186 WeakPolarHBondContact CA-O 3.41Å; L5-I190 HydrophobicContact CD1-CB 3.83Å; L5-I190 HydrophobicContact CD1-CG2 3.73Å; L5-A191 HydrophobicContact CD1-CB 4.24Å
6	A	98.5	Very high	97.7	Very high	6 Å²	6	37.7 Å²	37.7	5%	0.05	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.7	167.9	0	0	0	0	0	111.2	E30 I185 V186 G187	A6-E30 HydrophobicContact CB-CB 4.36Å; A6-E30 HydrophobicContact CB-CG 4.18Å; A6-E30 WeakPolarHBondContact CB-OE2 3.13Å; A6-I185 HydrophobicContact CB-CG2 3.99Å; A6-V186 PolarHBondContact N-O 3.25Å; A6-G187 VanDerWaalsContact O-CA 3.31Å; A6-G187 WeakPolarHBondContact O-CA 3.24Å
7	I	98.4	Very high	97.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	109.3	-178.6	-46.3	177.3	0	0	0	109.2	L5 L10 A15 L18 A19 E30 G32 I35 M47	L5-I7 HydrophobicContact CD1-CG1 4.31Å; L5-I7 HydrophobicContact CD2-CD1 3.78Å; L5-I7 HydrophobicContact CD2-CG1 3.81Å; L5-I7 HydrophobicContact CG-CD1 4.21Å; L5-I7 HydrophobicContact CG-CG1 3.71Å; I7-L10 HydrophobicContact CG2-CB 4.14Å; I7-L10 HydrophobicContact CG2-CD1 3.75Å; I7-L10 HydrophobicContact CG2-CG 4.12Å; I7-A15 HydrophobicContact CB-CB 4.49Å; I7-A15 HydrophobicContact CD1-CB 4.2Å; I7-A15 WeakPolarHBondContact CD1-O 3.35Å; I7-A15 HydrophobicContact CG2-CB 3.82Å; I7-L18 HydrophobicContact CD1-CD2 4.16Å; I7-L18 HydrophobicContact CD1-CG 4.45Å; I7-L18 HydrophobicContact CG1-CD2 4.27Å; I7-L18 HydrophobicContact CG2-CD2 4.29Å; I7-A19 HydrophobicContact CD1-CB 4.32Å; I7-E30 PolarHBondContact N-O 3.5Å; I7-E30 VanDerWaalsContact N-O 3.08Å; I7-G32 WeakPolarHBondContact O-CA 3.32Å; I7-G32 PolarHBondContact O-N 3.32Å; I7-I35 HydrophobicContact CB-CD1 4.37Å; I7-I35 HydrophobicContact CG2-CD1 4.01Å; I7-I35 WeakPolarHBondContact O-CD1 3.47Å; I7-M47 HydrophobicContact CD1-CE 4.13Å
8	D	96.2	Very high	97.7	Very high	23 Å²	23	39.9 Å²	39.9	12%	0.123	20%	0.201	C	C	.	.			trans	-107.7	-44.5	-173.1	-73.5	-57.5	0	0	0	114.5	G32 P34 I35 Y137	D8-G32 WeakPolarHBondContact OD1-CA 3.28Å; D8-P34 HydrophobicContact CB-CG 4.15Å; D8-P34 WeakPolarHBondContact O-CB 3.47Å; D8-P34 VanDerWaalsContact OD1-CD 3.25Å; D8-P34 WeakPolarHBondContact OD1-CD 3.43Å; D8-I35 VanDerWaalsContact O-CG1 3.24Å; D8-I35 WeakPolarHBondContact O-CG1 3.33Å; D8-Y137 PolarHBondContact OD2-OH 3.45Å
9	L	93.3	Very high	97.8	Very high	128 Å²	128	37.8 Å²	37.8	67%	0.67	19%	0.19	S	C	*	.	S	Bend	trans	-110.9	36	-162.9	-57.5	-179.7	0	0	0	113.3
10	L	95.9	Very high	97.8	Very high	58 Å²	58	38.8 Å²	38.8	30%	0.304	20%	0.196	S	C	.	.	S	Bend	trans	-123.3	164.9	176.3	-65.2	-178.3	0	0	0	110.4	I7 D14 A15 L18 I35	I7-L10 HydrophobicContact CG2-CB 4.14Å; I7-L10 HydrophobicContact CG2-CD1 3.75Å; I7-L10 HydrophobicContact CG2-CG 4.12Å; L10-D14 HydrophobicContact CB-CB 4.11Å; L10-D14 HydrophobicContact CD1-CB 4.25Å; L10-D14 HydrophobicContact CD2-CB 4.28Å; L10-D14 HydrophobicContact CG-CB 4.45Å; L10-A15 HydrophobicContact CB-CB 4.33Å; L10-L18 HydrophobicContact CD1-CB 4.36Å; L10-L18 HydrophobicContact CD1-CD2 3.88Å; L10-I35 WeakPolarHBondContact O-CD1 3.42Å; L10-I35 WeakPolarHBondContact O-CG1 3.29Å
11	N	97.7	Very high	97.8	Very high	60 Å²	60	42.2 Å²	42.2	32%	0.321	21%	0.21	S	C	.	.			trans	-78.5	169.5	162.4	62.6	52	0	0	0	110.2	E13 D14 A15 E39	N11-E13 VanDerWaalsContact C-N 3.3Å; N11-E13 PolarHBondContact O-N 3.24Å; N11-E13 PolarHBondContact OD1-N 3.27Å; N11-E13 VanDerWaalsContact OD1-N 3.16Å; N11-E13 PolarHBondContact OD1-OE2 2.89Å; N11-D14 PolarHBondContact ND2-OD2 3.04Å; N11-D14 PolarHBondContact O-N 3.27Å; N11-D14 WeakPolarHBondContact OD1-CB 3.29Å; N11-D14 VanDerWaalsContact OD1-CG 3.28Å; N11-D14 PolarHBondContact OD1-N 2.69Å; N11-D14 PolarHBondContact OD1-OD2 2.91Å; N11-A15 VanDerWaalsContact O-CB 3.24Å; N11-A15 WeakPolarHBondContact O-CB 3.46Å; N11-A15 PolarHBondContact O-N 3.42Å; N11-E39 WeakPolarHBondContact CA-OE1 3.19Å; N11-E39 VanDerWaalsContact CB-OE1 3.23Å; N11-E39 WeakPolarHBondContact CB-OE1 3.42Å
12	K	97.9	Very high	97.9	Very high	52 Å²	52	38.8 Å²	38.8	23%	0.226	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-34.5	-176.6	71.6	177.9	168.2	-77.2	0	113.4	A16 E39 A43 H46	K12-A16 WeakPolarHBondContact O-CB 3.34Å; K12-A16 PolarHBondContact O-N 2.99Å; K12-E39 WeakPolarHBondContact CB-OE2 3.35Å; K12-E39 WeakPolarHBondContact CD-OE2 3.23Å; K12-E39 WeakPolarHBondContact CG-OE2 3.28Å; K12-E39 PolarHBondContact N-OE1 3.06Å; K12-E39 IonicContact NZ-OE2 2.67Å; K12-E39 PolarHBondContact NZ-OE2 3.12Å; K12-A43 HydrophobicContact CB-CB 3.82Å; K12-H46 HydrophobicContact CB-CB 4.46Å; K12-H46 HydrophobicContact CD-CB 3.76Å; K12-H46 HydrophobicContact CG-CB 4.37Å; K12-H46 PolarHBondContact O-CD2 3.11Å
13	E	98.5	Very high	97.9	Very high	91 Å²	91	39.7 Å²	39.7	43%	0.425	20%	0.196	S	C	.	.	H	α-helix	trans	-68.6	-50.4	179.4	-68.3	79.4	-169.6	0	0	111	N11 A15 A16 E17	N11-E13 VanDerWaalsContact C-N 3.3Å; N11-E13 PolarHBondContact O-N 3.24Å; N11-E13 PolarHBondContact OD1-N 3.27Å; N11-E13 VanDerWaalsContact OD1-N 3.16Å; N11-E13 PolarHBondContact OD1-OE2 2.89Å; E13-A15 VanDerWaalsContact C-N 3.31Å; E13-A15 PolarHBondContact O-N 2.99Å; E13-A16 PolarHBondContact O-N 3.39Å; E13-E17 PolarHBondContact O-N 2.69Å
14	D	98.4	Very high	97.9	Very high	72 Å²	72	46 Å²	46	39%	0.385	23%	0.23	S	C	.	.	H	α-helix	trans	-64.9	-36.5	178.2	-67.5	-23.7	0	0	0	111	L10 N11 E17 L18	L10-D14 HydrophobicContact CB-CB 4.11Å; L10-D14 HydrophobicContact CD1-CB 4.25Å; L10-D14 HydrophobicContact CD2-CB 4.28Å; L10-D14 HydrophobicContact CG-CB 4.45Å; N11-D14 PolarHBondContact ND2-OD2 3.04Å; N11-D14 PolarHBondContact O-N 3.27Å; N11-D14 WeakPolarHBondContact OD1-CB 3.29Å; N11-D14 VanDerWaalsContact OD1-CG 3.28Å; N11-D14 PolarHBondContact OD1-N 2.69Å; N11-D14 PolarHBondContact OD1-OD2 2.91Å; D14-E17 PolarHBondContact O-N 2.77Å; D14-L18 WeakPolarHBondContact O-CB 3.24Å; D14-L18 PolarHBondContact O-N 3.44Å
15	A	98.6	Very high	97.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-46.6	173.4	0	0	0	0	0	111.6	I7 L10 N11 E13 L18 A19 I31 I35 M47	I7-A15 HydrophobicContact CB-CB 4.49Å; I7-A15 HydrophobicContact CD1-CB 4.2Å; I7-A15 WeakPolarHBondContact CD1-O 3.35Å; I7-A15 HydrophobicContact CG2-CB 3.82Å; L10-A15 HydrophobicContact CB-CB 4.33Å; N11-A15 VanDerWaalsContact O-CB 3.24Å; N11-A15 WeakPolarHBondContact O-CB 3.46Å; N11-A15 PolarHBondContact O-N 3.42Å; E13-A15 VanDerWaalsContact C-N 3.31Å; E13-A15 PolarHBondContact O-N 2.99Å; A15-L18 PolarHBondContact O-N 3.35Å; A15-A19 WeakPolarHBondContact O-CB 3.32Å; A15-A19 PolarHBondContact O-N 3.46Å; A15-I31 HydrophobicContact CB-CD1 4.28Å; A15-I35 HydrophobicContact CB-CD1 4Å; A15-M47 HydrophobicContact CB-CE 4.09Å; A15-M47 WeakPolarHBondContact O-CE 3.44Å
16	A	98.5	Very high	97.9	Very high	5 Å²	5	49.1 Å²	49.1	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-35.8	177.6	0	0	0	0	0	112.5	K12 E13 N20 M47 N50	K12-A16 WeakPolarHBondContact O-CB 3.34Å; K12-A16 PolarHBondContact O-N 2.99Å; E13-A16 PolarHBondContact O-N 3.39Å; A16-N20 WeakPolarHBondContact O-CB 3.18Å; A16-N20 PolarHBondContact O-N 2.91Å; A16-N20 PolarHBondContact O-ND2 3.28Å; A16-M47 HydrophobicContact CB-CE 4.35Å; A16-M47 HydrophobicContact CB-SD 4.42Å; A16-N50 HydrophobicContact CB-CB 4.26Å
17	E	98.4	Very high	97.9	Very high	103 Å²	103	51.4 Å²	51.4	48%	0.481	25%	0.254	S	S	.	.	H	α-helix	trans	-63.3	-48.5	173.2	-170.8	-174.4	150.2	0	0	111	E13 D14 N20 K21	E13-E17 PolarHBondContact O-N 2.69Å; D14-E17 PolarHBondContact O-N 2.77Å; E17-N20 PolarHBondContact O-N 3.42Å; E17-K21 WeakPolarHBondContact O-CG 3.48Å; E17-K21 PolarHBondContact O-N 3.13Å; E17-K21 VanDerWaalsContact O-N 3.14Å; E17-K21 WeakPolarHBondContact OE1-CE 3.38Å; E17-K21 IonicContact OE1-NZ 3.53Å; E17-K21 PolarHBondContact OE1-NZ 3.46Å
18	L	98.6	Very high	97.9	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.063	25%	0.254	C	S	.	.	H	α-helix	trans	-59	-48.9	176.3	172.9	61.2	0	0	0	111.3	L5 I7 L10 D14 A15 N20 K21 V22 A191 P196	L5-L18 HydrophobicContact CD2-CD2 4.24Å; L5-L18 HydrophobicContact CD2-CG 4.12Å; I7-L18 HydrophobicContact CD1-CD2 4.16Å; I7-L18 HydrophobicContact CD1-CG 4.45Å; I7-L18 HydrophobicContact CG1-CD2 4.27Å; I7-L18 HydrophobicContact CG2-CD2 4.29Å; L10-L18 HydrophobicContact CD1-CB 4.36Å; L10-L18 HydrophobicContact CD1-CD2 3.88Å; D14-L18 WeakPolarHBondContact O-CB 3.24Å; D14-L18 PolarHBondContact O-N 3.44Å; A15-L18 PolarHBondContact O-N 3.35Å; L18-N20 VanDerWaalsContact C-N 3.28Å; L18-N20 PolarHBondContact O-N 2.97Å; L18-K21 WeakPolarHBondContact O-CB 3.27Å; L18-K21 PolarHBondContact O-N 3Å; L18-V22 HydrophobicContact CD1-CG1 4.36Å; L18-V22 PolarHBondContact O-N 3.26Å; L18-A191 HydrophobicContact CD2-CB 3.81Å; L18-P196 HydrophobicContact CD1-CB 3.49Å; L18-P196 VanDerWaalsContact CD1-CB 3.49Å; L18-P196 HydrophobicContact CD1-CG 3.88Å
19	A	98.7	Very high	98	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-56.1	-43.5	177.9	0	0	0	0	0	111.5	I7 A15 K21 V22 K23 V29 M47 I51	I7-A19 HydrophobicContact CD1-CB 4.32Å; A15-A19 WeakPolarHBondContact O-CB 3.32Å; A15-A19 PolarHBondContact O-N 3.46Å; A19-K21 VanDerWaalsContact C-N 3.31Å; A19-K21 PolarHBondContact O-N 3.22Å; A19-V22 PolarHBondContact O-N 3.35Å; A19-K23 WeakPolarHBondContact O-CB 3.05Å; A19-K23 PolarHBondContact O-N 3.04Å; A19-V29 HydrophobicContact CB-CB 4.41Å; A19-V29 HydrophobicContact CB-CG1 4.04Å; A19-M47 HydrophobicContact CB-CE 3.67Å; A19-M47 HydrophobicContact CB-SD 3.6Å; A19-I51 HydrophobicContact CB-CD1 3.79Å; A19-I51 HydrophobicContact CB-CG1 4.48Å
20	N	98.5	Very high	98.3	Very high	58 Å²	58	44.9 Å²	44.9	31%	0.31	22%	0.219	S	C	.	.	H	α-helix	trans	-65.1	-31	177.8	-90.3	-74.8	0	0	0	114	A16 E17 L18 V22 K23 N50 I51	A16-N20 WeakPolarHBondContact O-CB 3.18Å; A16-N20 PolarHBondContact O-N 2.91Å; A16-N20 PolarHBondContact O-ND2 3.28Å; E17-N20 PolarHBondContact O-N 3.42Å; L18-N20 VanDerWaalsContact C-N 3.28Å; L18-N20 PolarHBondContact O-N 2.97Å; N20-V22 VanDerWaalsContact C-N 3.31Å; N20-K23 PolarHBondContact OD1-NZ 2.88Å; N20-N50 PolarHBondContact ND2-O 3.42Å; N20-I51 HydrophobicContact CB-CD1 4.42Å
21	K	98.3	Very high	98.4	Very high	110 Å²	110	42.2 Å²	42.2	48%	0.478	21%	0.205	S	C	.	.	H	α-helix	trans	-68.6	-29.8	175.8	-71.3	171.1	-177.7	164.7	0	112.5	E17 L18 A19 V197	E17-K21 WeakPolarHBondContact O-CG 3.48Å; E17-K21 PolarHBondContact O-N 3.13Å; E17-K21 VanDerWaalsContact O-N 3.14Å; E17-K21 WeakPolarHBondContact OE1-CE 3.38Å; E17-K21 IonicContact OE1-NZ 3.53Å; E17-K21 PolarHBondContact OE1-NZ 3.46Å; L18-K21 WeakPolarHBondContact O-CB 3.27Å; L18-K21 PolarHBondContact O-N 3Å; A19-K21 VanDerWaalsContact C-N 3.31Å; A19-K21 PolarHBondContact O-N 3.22Å; K21-V197 HydrophobicContact CB-CG2 3.9Å
22	V	98.2	Very high	98.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-113.1	-4.7	-172.2	-51.8	0	0	0	0	115.1	L5 L18 A19 N20 D24 Y25 V26 I190 P196 V197 A200	L5-V22 HydrophobicContact CD2-CG2 3.56Å; L18-V22 HydrophobicContact CD1-CG1 4.36Å; L18-V22 PolarHBondContact O-N 3.26Å; A19-V22 PolarHBondContact O-N 3.35Å; N20-V22 VanDerWaalsContact C-N 3.31Å; V22-D24 PolarHBondContact O-N 2.86Å; V22-Y25 PolarHBondContact O-N 3.27Å; V22-V26 HydrophobicContact CG2-CG1 4.29Å; V22-V26 HydrophobicContact CG2-CG2 4.2Å; V22-V26 PolarHBondContact O-N 2.79Å; V22-I190 HydrophobicContact CG1-CG2 4.42Å; V22-P196 HydrophobicContact CG1-CB 4.3Å; V22-V197 HydrophobicContact CG1-CG2 4.47Å; V22-A200 HydrophobicContact CB-CB 3.91Å; V22-A200 HydrophobicContact CG1-CB 4Å
23	K	98.2	Very high	98.5	Very high	54 Å²	54	37.5 Å²	37.5	24%	0.235	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-53.8	-29.1	-172.1	66.4	-177.5	176.1	-169.6	0	115.4	A19 N20 Y25 V26 I51 V54	A19-K23 WeakPolarHBondContact O-CB 3.05Å; A19-K23 PolarHBondContact O-N 3.04Å; N20-K23 PolarHBondContact OD1-NZ 2.88Å; K23-Y25 PolarHBondContact O-N 3.43Å; K23-V26 VanDerWaalsContact O-O 3.11Å; K23-I51 HydrophobicContact CB-CD1 4.1Å; K23-I51 HydrophobicContact CD-CD1 4.02Å; K23-V54 HydrophobicContact CB-CG1 3.99Å; K23-V54 WeakPolarHBondContact O-CG1 3.5Å
24	D	98	Very high	98.4	Very high	133 Å²	133	35.1 Å²	35.1	71%	0.711	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-72.2	-10	178.2	-63.3	-26.4	0	0	0	112.8	V22	V22-D24 PolarHBondContact O-N 2.86Å
25	Y	98.2	Very high	98.4	Very high	61 Å²	61	31.7 Å²	31.7	24%	0.239	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-114.6	-7.7	-178	-52.1	-63.7	0	0	0	113.2	L3 V22 K23 V197 A200 K201 R204	L3-Y25 WeakPolarHBondContact CD2-O 3.32Å; V22-Y25 PolarHBondContact O-N 3.27Å; K23-Y25 PolarHBondContact O-N 3.43Å; Y25-V197 HydrophobicContact CE2-CG1 3.83Å; Y25-A200 HydrophobicContact CD2-CB 4.26Å; Y25-A200 HydrophobicContact CG-CB 4.41Å; Y25-K201 HydrophobicContact CD1-CG 3.79Å; Y25-K201 HydrophobicContact CD2-CG 4.05Å; Y25-K201 HydrophobicContact CE1-CD 4.37Å; Y25-K201 HydrophobicContact CE1-CG 3.47Å; Y25-K201 VanDerWaalsContact CE1-CG 3.47Å; Y25-K201 HydrophobicContact CE2-CD 4.37Å; Y25-K201 HydrophobicContact CE2-CG 3.74Å; Y25-K201 HydrophobicContact CG-CG 4.08Å; Y25-K201 VanDerWaalsContact CZ-CG 3.45Å; Y25-K201 WeakPolarHBondContact OH-CE 3.23Å; Y25-R204 PolarHBondContact O-NE 2.78Å; Y25-R204 PolarHBondContact O-NH2 3.5Å
26	V	98.5	Very high	98.4	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.03	16%	0.161	C	C	.	.			trans	-123.7	148.8	-177.3	-58.1	0	0	0	0	110.5	L3 L5 V22 K23 V29 V54	L3-V26 HydrophobicContact CD2-CG1 4.01Å; L3-V26 HydrophobicContact CG-CG1 4.15Å; L5-V26 HydrophobicContact CB-CG1 4.16Å; V22-V26 HydrophobicContact CG2-CG1 4.29Å; V22-V26 HydrophobicContact CG2-CG2 4.2Å; V22-V26 PolarHBondContact O-N 2.79Å; K23-V26 VanDerWaalsContact O-O 3.11Å; V26-V29 HydrophobicContact CG2-CG1 3.8Å; V26-V54 HydrophobicContact CG2-CG1 4.41Å; V26-V54 VanDerWaalsContact O-CG1 3.27Å; V26-V54 WeakPolarHBondContact O-CG1 3.36Å
27	D	98.7	Very high	98.4	Very high	54 Å²	54	40.4 Å²	40.4	29%	0.289	19%	0.191	S	C	.	.	S	Bend	trans	-95.7	-26.6	178.2	-56.6	-73.8	0	0	0	111.7	E2 L3 K55 R204	E2-D27 WeakPolarHBondContact CA-OD2 2.96Å; E2-D27 HydrophobicContact CB-CB 4.03Å; E2-D27 HydrophobicContact CG-CB 4.24Å; L3-D27 PolarHBondContact N-OD2 3.49Å; L3-D27 PolarHBondContact O-N 3.12Å; D27-K55 PolarHBondContact O-N 3.16Å; D27-R204 VanDerWaalsContact CG-NH2 3.33Å; D27-R204 IonicContact OD1-NH2 2.64Å; D27-R204 IonicContact OD2-CZ 2.69Å; D27-R204 IonicContact OD2-NH1 3.63Å; D27-R204 PolarHBondContact OD2-NH1 3.16Å; D27-R204 VanDerWaalsContact OD2-NH1 3.12Å; D27-R204 IonicContact OD2-NH2 3.12Å; D27-R204 PolarHBondContact OD2-NH2 3.34Å
28	I	98.9	Very high	98.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	136.7	-178.1	-48.5	-177.1	0	0	0	109.3	L3 Q4 L5 K55 L57 L183	L3-I28 PolarHBondContact O-N 2.95Å; Q4-I28 VanDerWaalsContact CA-O 3.28Å; Q4-I28 WeakPolarHBondContact CA-O 3.37Å; Q4-I28 HydrophobicContact CB-CB 3.94Å; Q4-I28 HydrophobicContact CG-CB 3.89Å; Q4-I28 HydrophobicContact CG-CG2 3.97Å; L5-I28 PolarHBondContact N-O 3.45Å; I28-K55 CarbonylContact C-O 3.49Å; I28-K55 WeakPolarHBondContact CA-O 3.35Å; I28-K55 HydrophobicContact CG1-CB 4.18Å; I28-K55 HydrophobicContact CG1-CD 4.39Å; I28-K55 HydrophobicContact CG2-CB 4.31Å; I28-L57 HydrophobicContact CG2-CB 3.7Å; I28-L183 HydrophobicContact CD1-CD1 3.92Å; I28-L183 HydrophobicContact CD1-CD2 4.12Å
29	V	98.8	Very high	98.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.3	168.3	-63.8	0	0	0	0	109.1	A19 V26 M47 I51 V54 K55 V56 L57	A19-V29 HydrophobicContact CB-CB 4.41Å; A19-V29 HydrophobicContact CB-CG1 4.04Å; V26-V29 HydrophobicContact CG2-CG1 3.8Å; V29-M47 HydrophobicContact CG2-CG 4.02Å; V29-M47 HydrophobicContact CG2-SD 3.99Å; V29-I51 HydrophobicContact CG2-CG1 4.35Å; V29-I51 HydrophobicContact CG2-CG2 4.31Å; V29-V54 HydrophobicContact CG1-CG2 4.07Å; V29-V54 HydrophobicContact CG2-CG2 3.88Å; V29-K55 PolarHBondContact N-O 3.06Å; V29-V56 HydrophobicContact CG2-CG2 4.19Å; V29-V56 CarbonylContact O-C 3.47Å; V29-V56 WeakPolarHBondContact O-CA 2.94Å; V29-L57 PolarHBondContact O-N 2.72Å
30	E	98.8	Very high	98.4	Very high	15 Å²	15	44.8 Å²	44.8	7%	0.07	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.6	-176.8	158.8	179.5	172.2	0	0	110.5	Q4 L5 A6 I7 L57 D59	Q4-E30 HydrophobicContact CG-CB 4.33Å; Q4-E30 PolarHBondContact NE2-OE2 3.01Å; L5-E30 WeakPolarHBondContact O-CB 3.33Å; L5-E30 PolarHBondContact O-N 3.23Å; A6-E30 HydrophobicContact CB-CB 4.36Å; A6-E30 HydrophobicContact CB-CG 4.18Å; A6-E30 WeakPolarHBondContact CB-OE2 3.13Å; I7-E30 PolarHBondContact N-O 3.5Å; I7-E30 VanDerWaalsContact N-O 3.08Å; E30-L57 WeakPolarHBondContact CA-O 3.34Å; E30-L57 HydrophobicContact CB-CB 4.06Å; E30-L57 HydrophobicContact CB-CD2 3.69Å; E30-L57 HydrophobicContact CB-CG 4.45Å; E30-L57 HydrophobicContact CG-CD2 3.44Å; E30-L57 VanDerWaalsContact CG-CD2 3.44Å; E30-D59 HydrophobicContact CG-CB 3.92Å; E30-D59 WeakPolarHBondContact OE1-CB 3.48Å; E30-D59 VanDerWaalsContact OE1-CG 3.28Å
31	I	98.8	Very high	98.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	106.8	161	-62.1	-55.4	0	0	0	107	A15 I35 I36 A43 V44 M47 L57 D59	A15-I31 HydrophobicContact CB-CD1 4.28Å; I31-I35 HydrophobicContact CG2-CB 3.79Å; I31-I35 HydrophobicContact CG2-CG2 3.8Å; I31-I36 HydrophobicContact CG2-CD1 4.42Å; I31-I36 HydrophobicContact CG2-CG1 3.78Å; I31-I36 WeakPolarHBondContact O-CD1 3.47Å; I31-A43 HydrophobicContact CG2-CB 4.32Å; I31-V44 HydrophobicContact CB-CG2 4.28Å; I31-V44 HydrophobicContact CG2-CG2 4.29Å; I31-M47 HydrophobicContact CD1-CB 3.91Å; I31-M47 HydrophobicContact CD1-CE 3.46Å; I31-M47 VanDerWaalsContact CD1-CE 3.46Å; I31-M47 HydrophobicContact CD1-CG 4.11Å; I31-M47 HydrophobicContact CG1-CB 3.94Å; I31-M47 HydrophobicContact CG1-CG 4.23Å; I31-L57 PolarHBondContact N-O 3.43Å; I31-D59 WeakPolarHBondContact O-CB 3.14Å; I31-D59 PolarHBondContact O-N 3.23Å
32	G	98.4	Very high	98.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.			trans	-66.5	158.2	-176.6	0	0	0	0	0	113.3	I7 D8 P34 I35 I36	I7-G32 WeakPolarHBondContact O-CA 3.32Å; I7-G32 PolarHBondContact O-N 3.32Å; D8-G32 WeakPolarHBondContact OD1-CA 3.28Å; G32-P34 VanDerWaalsContact C-N 3.32Å; G32-I35 PolarHBondContact O-N 3.14Å; G32-I35 VanDerWaalsContact O-N 3.11Å; G32-I36 PolarHBondContact O-N 3.01Å
33	T	98.2	Very high	98.4	Very high	13 Å²	13	41.2 Å²	41.2	8%	0.08	21%	0.212	C	C	.	.	H	α-helix	trans	-47.4	-44.4	179.2	-54	0	0	0	0	113.8	I35 I36 Y37 D59 K61	T33-I35 PolarHBondContact O-N 3.31Å; T33-I36 PolarHBondContact O-N 3.46Å; T33-Y37 HydrophobicContact CG2-CD1 4.22Å; T33-Y37 HydrophobicContact CG2-CD2 3.94Å; T33-Y37 HydrophobicContact CG2-CE1 3.75Å; T33-Y37 HydrophobicContact CG2-CE2 3.44Å; T33-Y37 VanDerWaalsContact CG2-CE2 3.44Å; T33-Y37 HydrophobicContact CG2-CG 4.3Å; T33-Y37 PolarHBondContact O-N 2.84Å; T33-D59 WeakPolarHBondContact CA-O 3.27Å; T33-D59 PolarHBondContact N-OD2 2.84Å; T33-D59 PolarHBondContact OG1-O 2.97Å; T33-D59 PolarHBondContact OG1-OD2 3.15Å; T33-K61 WeakPolarHBondContact OG1-CD 3.44Å; T33-K61 PolarHBondContact OG1-NZ 3.33Å
34	P	97.8	Very high	98.5	Very high	41 Å²	41	38.7 Å²	38.7	27%	0.266	20%	0.201	S	C	.	.	H	α-helix	trans	-65.3	-34.5	-177.6	-19.8	33.1	0	0	0	113.7	D8 G32 Y37 N38	D8-P34 HydrophobicContact CB-CG 4.15Å; D8-P34 WeakPolarHBondContact O-CB 3.47Å; D8-P34 VanDerWaalsContact OD1-CD 3.25Å; D8-P34 WeakPolarHBondContact OD1-CD 3.43Å; G32-P34 VanDerWaalsContact C-N 3.32Å; P34-Y37 PolarHBondContact O-N 2.72Å; P34-N38 WeakPolarHBondContact O-CB 3.46Å; P34-N38 VanDerWaalsContact O-CG 3.22Å; P34-N38 PolarHBondContact O-N 3.44Å; P34-N38 PolarHBondContact O-ND2 3.15Å
35	I	98.5	Very high	98.5	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-67	-43.9	175	-53.2	-168.5	0	0	0	109.9	I7 D8 L10 A15 I31 G32 T33 Y37 N38 E39 A43	I7-I35 HydrophobicContact CB-CD1 4.37Å; I7-I35 HydrophobicContact CG2-CD1 4.01Å; I7-I35 WeakPolarHBondContact O-CD1 3.47Å; D8-I35 VanDerWaalsContact O-CG1 3.24Å; D8-I35 WeakPolarHBondContact O-CG1 3.33Å; L10-I35 WeakPolarHBondContact O-CD1 3.42Å; L10-I35 WeakPolarHBondContact O-CG1 3.29Å; A15-I35 HydrophobicContact CB-CD1 4Å; I31-I35 HydrophobicContact CG2-CB 3.79Å; I31-I35 HydrophobicContact CG2-CG2 3.8Å; G32-I35 PolarHBondContact O-N 3.14Å; G32-I35 VanDerWaalsContact O-N 3.11Å; T33-I35 PolarHBondContact O-N 3.31Å; I35-Y37 VanDerWaalsContact C-N 3.28Å; I35-Y37 PolarHBondContact O-N 2.67Å; I35-N38 PolarHBondContact O-N 2.72Å; I35-E39 WeakPolarHBondContact O-CB 3.49Å; I35-E39 PolarHBondContact O-N 2.91Å; I35-A43 HydrophobicContact CG2-CB 3.78Å
36	I	98.6	Very high	98.5	Very high	16 Å²	16	35.6 Å²	35.6	8%	0.082	18%	0.184	C	C	.	.	H	α-helix	trans	-60.2	-40.3	176.6	-63.6	172.2	0	0	0	110.6	I31 G32 T33 G40 V44 A58 M60	I31-I36 HydrophobicContact CG2-CD1 4.42Å; I31-I36 HydrophobicContact CG2-CG1 3.78Å; I31-I36 WeakPolarHBondContact O-CD1 3.47Å; G32-I36 PolarHBondContact O-N 3.01Å; T33-I36 PolarHBondContact O-N 3.46Å; I36-G40 WeakPolarHBondContact O-CA 3.34Å; I36-G40 PolarHBondContact O-N 2.9Å; I36-V44 HydrophobicContact CD1-CG2 4.42Å; I36-V44 HydrophobicContact CG1-CG2 4.36Å; I36-A58 HydrophobicContact CD1-CB 4.39Å; I36-M60 HydrophobicContact CD1-SD 3.86Å; I36-M60 HydrophobicContact CG2-SD 4.12Å
37	Y	98	Very high	98.5	Very high	172 Å²	172	35.4 Å²	35.4	68%	0.675	18%	0.182	S	C	*	.	H	α-helix	trans	-68	-39.5	176.8	-71.3	-9.4	0	0	0	113.2	T33 P34 I35	T33-Y37 HydrophobicContact CG2-CD1 4.22Å; T33-Y37 HydrophobicContact CG2-CD2 3.94Å; T33-Y37 HydrophobicContact CG2-CE1 3.75Å; T33-Y37 HydrophobicContact CG2-CE2 3.44Å; T33-Y37 VanDerWaalsContact CG2-CE2 3.44Å; T33-Y37 HydrophobicContact CG2-CG 4.3Å; T33-Y37 PolarHBondContact O-N 2.84Å; P34-Y37 PolarHBondContact O-N 2.72Å; I35-Y37 VanDerWaalsContact C-N 3.28Å; I35-Y37 PolarHBondContact O-N 2.67Å
38	N	98.2	Very high	98.5	Very high	134 Å²	134	34.2 Å²	34.2	72%	0.717	18%	0.18	S	C	*	.	H	α-helix	trans	-78.8	-29.9	-176.7	-69.9	-33.7	0	0	0	113.2	P34 I35	P34-N38 WeakPolarHBondContact O-CB 3.46Å; P34-N38 VanDerWaalsContact O-CG 3.22Å; P34-N38 PolarHBondContact O-N 3.44Å; P34-N38 PolarHBondContact O-ND2 3.15Å; I35-N38 PolarHBondContact O-N 2.72Å
39	E	98.1	Very high	98.5	Very high	48 Å²	48	39.1 Å²	39.1	22%	0.224	21%	0.206	C	C	.	.	H	α-helix	trans	-127.2	-8.2	-170.2	-62.7	-156.9	-139.4	0	0	114.8	N11 K12 I35 A43	N11-E39 WeakPolarHBondContact CA-OE1 3.19Å; N11-E39 VanDerWaalsContact CB-OE1 3.23Å; N11-E39 WeakPolarHBondContact CB-OE1 3.42Å; K12-E39 WeakPolarHBondContact CB-OE2 3.35Å; K12-E39 WeakPolarHBondContact CD-OE2 3.23Å; K12-E39 WeakPolarHBondContact CG-OE2 3.28Å; K12-E39 PolarHBondContact N-OE1 3.06Å; K12-E39 IonicContact NZ-OE2 2.67Å; K12-E39 PolarHBondContact NZ-OE2 3.12Å; I35-E39 WeakPolarHBondContact O-CB 3.49Å; I35-E39 PolarHBondContact O-N 2.91Å; E39-A43 HydrophobicContact CB-CB 3.97Å
40	G	98.3	Very high	98.5	Very high	25 Å²	25	42.9 Å²	42.9	26%	0.258	23%	0.226	S	C	.	.			trans	71.5	-177.4	-175.9	0	0	0	0	0	113.7	I36 P42 A43	I36-G40 WeakPolarHBondContact O-CA 3.34Å; I36-G40 PolarHBondContact O-N 2.9Å; G40-P42 VanDerWaalsContact O-N 3.15Å; G40-A43 WeakPolarHBondContact O-CB 3.29Å; G40-A43 PolarHBondContact O-N 3.5Å
41	L	98.6	Very high	98.5	Very high	24 Å²	24	43 Å²	43	13%	0.126	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-24.5	172.9	-69.4	175.5	0	0	0	115.7	A43 V44 K45 M60 Q72 A73 F76	L41-A43 PolarHBondContact O-N 2.96Å; L41-A43 VanDerWaalsContact O-N 3.12Å; L41-V44 HydrophobicContact CD2-CG2 4.19Å; L41-V44 WeakPolarHBondContact O-CB 3.46Å; L41-V44 PolarHBondContact O-N 2.95Å; L41-K45 PolarHBondContact O-N 3.41Å; L41-M60 HydrophobicContact CD2-CE 3.99Å; L41-M60 HydrophobicContact CD2-SD 3.52Å; L41-M60 VanDerWaalsContact CD2-SD 3.52Å; L41-Q72 HydrophobicContact CD1-CB 3.5Å; L41-Q72 VanDerWaalsContact CD1-CB 3.5Å; L41-A73 HydrophobicContact CD2-CB 4.38Å; L41-F76 HydrophobicContact CB-CB 4.08Å; L41-F76 HydrophobicContact CB-CD1 3.77Å; L41-F76 HydrophobicContact CB-CD2 3.61Å; L41-F76 HydrophobicContact CB-CE1 4.05Å; L41-F76 HydrophobicContact CB-CE2 3.87Å; L41-F76 HydrophobicContact CB-CG 3.55Å; L41-F76 HydrophobicContact CB-CZ 4.09Å; L41-F76 HydrophobicContact CD1-CD2 3.84Å; L41-F76 HydrophobicContact CD1-CE2 4.05Å; L41-F76 HydrophobicContact CG-CD2 4.33Å; L41-F76 WeakPolarHBondContact O-CD1 3.39Å
42	P	98.6	Very high	98.3	Very high	69 Å²	69	45.7 Å²	45.7	45%	0.448	25%	0.246	S	C	.	.	H	α-helix	trans	-53.1	-26.9	168.9	-30	36.9	0	0	0	114.9	G40 K45 H46 F76	G40-P42 VanDerWaalsContact O-N 3.15Å; P42-K45 PolarHBondContact O-N 2.95Å; P42-H46 WeakPolarHBondContact O-CB 3.13Å; P42-H46 PolarHBondContact O-N 3.05Å; P42-F76 HydrophobicContact CB-CE1 4.45Å; P42-F76 HydrophobicContact CG-CE1 3.88Å
43	A	98.8	Very high	98.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-40.3	173.1	0	0	0	0	0	112.6	K12 I31 I35 E39 G40 L41 K45 H46 M47	K12-A43 HydrophobicContact CB-CB 3.82Å; I31-A43 HydrophobicContact CG2-CB 4.32Å; I35-A43 HydrophobicContact CG2-CB 3.78Å; E39-A43 HydrophobicContact CB-CB 3.97Å; G40-A43 WeakPolarHBondContact O-CB 3.29Å; G40-A43 PolarHBondContact O-N 3.5Å; L41-A43 PolarHBondContact O-N 2.96Å; L41-A43 VanDerWaalsContact O-N 3.12Å; A43-K45 VanDerWaalsContact C-N 3.33Å; A43-K45 PolarHBondContact O-N 3.45Å; A43-H46 PolarHBondContact O-N 3.44Å; A43-M47 PolarHBondContact O-N 2.62Å
44	V	98.9	Very high	98.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.5	-44.3	174.2	-178.6	0	0	0	0	110.3	I31 I36 L41 H46 M47 A48 V56 A58 F76 A78	I31-V44 HydrophobicContact CB-CG2 4.28Å; I31-V44 HydrophobicContact CG2-CG2 4.29Å; I36-V44 HydrophobicContact CD1-CG2 4.42Å; I36-V44 HydrophobicContact CG1-CG2 4.36Å; L41-V44 HydrophobicContact CD2-CG2 4.19Å; L41-V44 WeakPolarHBondContact O-CB 3.46Å; L41-V44 PolarHBondContact O-N 2.95Å; V44-H46 VanDerWaalsContact C-N 3.35Å; V44-H46 PolarHBondContact O-N 2.88Å; V44-M47 PolarHBondContact O-N 3.33Å; V44-A48 WeakPolarHBondContact O-CB 3.36Å; V44-A48 PolarHBondContact O-N 3.17Å; V44-V56 HydrophobicContact CG1-CG1 4.05Å; V44-A58 HydrophobicContact CG1-CB 4.11Å; V44-A58 HydrophobicContact CG2-CB 3.84Å; V44-F76 CarbonylContact C-O 3.36Å; V44-F76 HydrophobicContact CB-CB 4.37Å; V44-A78 HydrophobicContact CG1-CB 4.14Å
45	K	98.8	Very high	98.2	Very high	78 Å²	78	54.2 Å²	54.2	34%	0.339	29%	0.287	S	S	.	.	H	α-helix	trans	-64.1	-40.4	176.9	-176.8	63.4	165.4	74.4	0	112.5	L41 P42 A43 M47 A48 D49 F76	L41-K45 PolarHBondContact O-N 3.41Å; P42-K45 PolarHBondContact O-N 2.95Å; A43-K45 VanDerWaalsContact C-N 3.33Å; A43-K45 PolarHBondContact O-N 3.45Å; K45-M47 VanDerWaalsContact C-N 3.34Å; K45-A48 PolarHBondContact O-N 3.24Å; K45-D49 IonicContact NZ-OD1 2.68Å; K45-D49 PolarHBondContact NZ-OD1 2.84Å; K45-D49 IonicContact NZ-OD2 2.61Å; K45-D49 PolarHBondContact NZ-OD2 3.46Å; K45-D49 WeakPolarHBondContact O-CB 3.3Å; K45-D49 VanDerWaalsContact O-CG 3.23Å; K45-D49 PolarHBondContact O-N 3.2Å; K45-F76 WeakPolarHBondContact CA-O 3.27Å; K45-F76 HydrophobicContact CB-CB 4.19Å; K45-F76 HydrophobicContact CB-CD1 3.71Å; K45-F76 HydrophobicContact CB-CG 4.4Å; K45-F76 WeakPolarHBondContact CB-O 3.4Å; K45-F76 PolarHBondContact N-O 3.08Å; K45-F76 VanDerWaalsContact N-O 3.14Å
46	H	98.8	Very high	98.2	Very high	52 Å²	52	54.3 Å²	54.3	24%	0.241	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-44.1	175.6	-172.6	87.6	0	0	0	111.5	K12 P42 A43 V44 D49 N50	K12-H46 HydrophobicContact CB-CB 4.46Å; K12-H46 HydrophobicContact CD-CB 3.76Å; K12-H46 HydrophobicContact CG-CB 4.37Å; K12-H46 PolarHBondContact O-CD2 3.11Å; P42-H46 WeakPolarHBondContact O-CB 3.13Å; P42-H46 PolarHBondContact O-N 3.05Å; A43-H46 PolarHBondContact O-N 3.44Å; V44-H46 VanDerWaalsContact C-N 3.35Å; V44-H46 PolarHBondContact O-N 2.88Å; H46-D49 PolarHBondContact O-N 2.83Å; H46-N50 WeakPolarHBondContact O-CB 3.45Å; H46-N50 PolarHBondContact O-N 3.04Å; H46-N50 PolarHBondContact O-ND2 3.35Å
47	M	98.8	Very high	98.2	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-51.6	173.9	-178.4	60.3	74.2	0	0	111.4	I7 A15 A16 A19 V29 I31 A43 V44 K45 D49 N50 I51 V56	I7-M47 HydrophobicContact CD1-CE 4.13Å; A15-M47 HydrophobicContact CB-CE 4.09Å; A15-M47 WeakPolarHBondContact O-CE 3.44Å; A16-M47 HydrophobicContact CB-CE 4.35Å; A16-M47 HydrophobicContact CB-SD 4.42Å; A19-M47 HydrophobicContact CB-CE 3.67Å; A19-M47 HydrophobicContact CB-SD 3.6Å; V29-M47 HydrophobicContact CG2-CG 4.02Å; V29-M47 HydrophobicContact CG2-SD 3.99Å; I31-M47 HydrophobicContact CD1-CB 3.91Å; I31-M47 HydrophobicContact CD1-CE 3.46Å; I31-M47 VanDerWaalsContact CD1-CE 3.46Å; I31-M47 HydrophobicContact CD1-CG 4.11Å; I31-M47 HydrophobicContact CG1-CB 3.94Å; I31-M47 HydrophobicContact CG1-CG 4.23Å; A43-M47 PolarHBondContact O-N 2.62Å; V44-M47 PolarHBondContact O-N 3.33Å; K45-M47 VanDerWaalsContact C-N 3.34Å; M47-D49 VanDerWaalsContact C-N 3.26Å; M47-D49 PolarHBondContact O-N 3.43Å; M47-N50 CarbonylContact O-C 3.57Å; M47-N50 PolarHBondContact O-N 2.97Å; M47-I51 HydrophobicContact CG-CG2 4.3Å; M47-I51 WeakPolarHBondContact O-CB 3.31Å; M47-I51 VanDerWaalsContact O-CG2 3.26Å; M47-I51 WeakPolarHBondContact O-CG2 3.2Å; M47-I51 PolarHBondContact O-N 2.92Å; M47-I51 HydrophobicContact SD-CB 4.1Å; M47-I51 HydrophobicContact SD-CG1 4.48Å; M47-I51 HydrophobicContact SD-CG2 4.33Å; M47-V56 HydrophobicContact CB-CG1 4.46Å; M47-V56 HydrophobicContact CG-CG1 4.12Å; M47-V56 HydrophobicContact CG-CG2 4.06Å
48	A	98.6	Very high	98.3	Very high	28 Å²	28	45.4 Å²	45.4	23%	0.231	25%	0.252	C	S	.	.	H	α-helix	trans	-58.9	-34.1	-179.5	0	0	0	0	0	113.5	V44 K45 V56	V44-A48 WeakPolarHBondContact O-CB 3.36Å; V44-A48 PolarHBondContact O-N 3.17Å; K45-A48 PolarHBondContact O-N 3.24Å; A48-V56 HydrophobicContact CB-CG2 4.25Å
49	D	98.6	Very high	98.3	Very high	104 Å²	104	39.2 Å²	39.2	56%	0.556	22%	0.219	S	C	*	.	H	α-helix	trans	-75.8	-23.9	177	-72.4	-19.1	0	0	0	113.7	K45 H46 M47	K45-D49 IonicContact NZ-OD1 2.68Å; K45-D49 PolarHBondContact NZ-OD1 2.84Å; K45-D49 IonicContact NZ-OD2 2.61Å; K45-D49 PolarHBondContact NZ-OD2 3.46Å; K45-D49 WeakPolarHBondContact O-CB 3.3Å; K45-D49 VanDerWaalsContact O-CG 3.23Å; K45-D49 PolarHBondContact O-N 3.2Å; H46-D49 PolarHBondContact O-N 2.83Å; M47-D49 VanDerWaalsContact C-N 3.26Å; M47-D49 PolarHBondContact O-N 3.43Å
50	N	98.4	Very high	98.3	Very high	78 Å²	78	38.2 Å²	38.2	42%	0.417	21%	0.214	S	C	.	.	H	α-helix	trans	-110.6	-0.6	-172.5	-71.5	-81.5	0	0	0	113.7	A16 N20 H46 M47	A16-N50 HydrophobicContact CB-CB 4.26Å; N20-N50 PolarHBondContact ND2-O 3.42Å; H46-N50 WeakPolarHBondContact O-CB 3.45Å; H46-N50 PolarHBondContact O-N 3.04Å; H46-N50 PolarHBondContact O-ND2 3.35Å; M47-N50 CarbonylContact O-C 3.57Å; M47-N50 PolarHBondContact O-N 2.97Å
51	I	98.1	Very high	98.3	Very high	17 Å²	17	39.3 Å²	39.3	9%	0.087	21%	0.212	C	C	.	.			trans	-120.1	149.8	178.5	-151.9	67.4	0	0	0	111.1	A19 N20 K23 V29 M47 V54 V56	A19-I51 HydrophobicContact CB-CD1 3.79Å; A19-I51 HydrophobicContact CB-CG1 4.48Å; N20-I51 HydrophobicContact CB-CD1 4.42Å; K23-I51 HydrophobicContact CB-CD1 4.1Å; K23-I51 HydrophobicContact CD-CD1 4.02Å; V29-I51 HydrophobicContact CG2-CG1 4.35Å; V29-I51 HydrophobicContact CG2-CG2 4.31Å; M47-I51 HydrophobicContact CG-CG2 4.3Å; M47-I51 WeakPolarHBondContact O-CB 3.31Å; M47-I51 VanDerWaalsContact O-CG2 3.26Å; M47-I51 WeakPolarHBondContact O-CG2 3.2Å; M47-I51 PolarHBondContact O-N 2.92Å; M47-I51 HydrophobicContact SD-CB 4.1Å; M47-I51 HydrophobicContact SD-CG1 4.48Å; M47-I51 HydrophobicContact SD-CG2 4.33Å; I51-V54 HydrophobicContact CB-CG2 4.29Å; I51-V54 HydrophobicContact CD1-CG2 4.37Å; I51-V54 HydrophobicContact CG1-CG2 3.3Å; I51-V54 HydrophobicContact CG2-CG2 3.99Å; I51-V56 HydrophobicContact CG2-CG2 3.67Å
52	S	96.3	Very high	98.3	Very high	59 Å²	59	38.6 Å²	38.6	41%	0.413	21%	0.208	S	C	.	.			trans	-141.2	155.3	177.9	60.8	0	0	0	0	110.9	V54	S52-V54 PolarHBondContact O-N 3.25Å
53	N	94.5	Very high	98.3	Very high	161 Å²	161	39.5 Å²	39.5	86%	0.861	21%	0.208	S	C	*	.	S	Bend	trans	62.1	14.9	178.9	-53.9	-31	0	0	0	115.9
54	V	98.1	Very high	98.3	Very high	19 Å²	19	45 Å²	45	12%	0.115	24%	0.237	C	C	.	.	S	Bend	trans	-136.2	150.9	173.5	-58.9	0	0	0	0	108.9	K23 V26 V29 I51 S52	K23-V54 HydrophobicContact CB-CG1 3.99Å; K23-V54 WeakPolarHBondContact O-CG1 3.5Å; V26-V54 HydrophobicContact CG2-CG1 4.41Å; V26-V54 VanDerWaalsContact O-CG1 3.27Å; V26-V54 WeakPolarHBondContact O-CG1 3.36Å; V29-V54 HydrophobicContact CG1-CG2 4.07Å; V29-V54 HydrophobicContact CG2-CG2 3.88Å; I51-V54 HydrophobicContact CB-CG2 4.29Å; I51-V54 HydrophobicContact CD1-CG2 4.37Å; I51-V54 HydrophobicContact CG1-CG2 3.3Å; I51-V54 HydrophobicContact CG2-CG2 3.99Å; S52-V54 PolarHBondContact O-N 3.25Å
55	K	98.8	Very high	98.2	Very high	53 Å²	53	47.3 Å²	47.3	23%	0.23	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	146.8	174.5	-61.1	-180	-136.5	162.7	0	110	E2 D27 I28 V29 D79 V80 Y130	E2-K55 IonicContact OE1-NZ 3.53Å; E2-K55 PolarHBondContact OE1-NZ 3.36Å; D27-K55 PolarHBondContact O-N 3.16Å; I28-K55 CarbonylContact C-O 3.49Å; I28-K55 WeakPolarHBondContact CA-O 3.35Å; I28-K55 HydrophobicContact CG1-CB 4.18Å; I28-K55 HydrophobicContact CG1-CD 4.39Å; I28-K55 HydrophobicContact CG2-CB 4.31Å; V29-K55 PolarHBondContact N-O 3.06Å; K55-D79 WeakPolarHBondContact CA-OD2 3.28Å; K55-D79 HydrophobicContact CB-CB 3.96Å; K55-D79 HydrophobicContact CG-CB 4.37Å; K55-V80 HydrophobicContact CD-CG2 4.35Å; K55-Y130 PolarHBondContact NZ-OH 2.92Å
56	V	98.9	Very high	98.2	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.7	171	-179.9	0	0	0	0	109.9	V29 V44 M47 A48 I51 D79 V80	V29-V56 HydrophobicContact CG2-CG2 4.19Å; V29-V56 CarbonylContact O-C 3.47Å; V29-V56 WeakPolarHBondContact O-CA 2.94Å; V44-V56 HydrophobicContact CG1-CG1 4.05Å; M47-V56 HydrophobicContact CB-CG1 4.46Å; M47-V56 HydrophobicContact CG-CG1 4.12Å; M47-V56 HydrophobicContact CG-CG2 4.06Å; A48-V56 HydrophobicContact CB-CG2 4.25Å; I51-V56 HydrophobicContact CG2-CG2 3.67Å; V56-D79 PolarHBondContact N-OD2 3.09Å; V56-D79 WeakPolarHBondContact O-CA 3.34Å; V56-D79 PolarHBondContact O-N 3.48Å; V56-V80 PolarHBondContact O-N 3.34Å; V56-V80 VanDerWaalsContact O-N 3.14Å
57	L	98.9	Very high	98.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.1	171.1	-177.3	151.1	0	0	0	110.1	I28 V29 E30 I31 D59 V80 T82 L107	I28-L57 HydrophobicContact CG2-CB 3.7Å; V29-L57 PolarHBondContact O-N 2.72Å; E30-L57 WeakPolarHBondContact CA-O 3.34Å; E30-L57 HydrophobicContact CB-CB 4.06Å; E30-L57 HydrophobicContact CB-CD2 3.69Å; E30-L57 HydrophobicContact CB-CG 4.45Å; E30-L57 HydrophobicContact CG-CD2 3.44Å; E30-L57 VanDerWaalsContact CG-CD2 3.44Å; I31-L57 PolarHBondContact N-O 3.43Å; L57-D59 HydrophobicContact CD2-CB 3.91Å; L57-V80 CarbonylContact C-O 3.51Å; L57-V80 VanDerWaalsContact CA-O 3.26Å; L57-V80 WeakPolarHBondContact CA-O 3.48Å; L57-V80 HydrophobicContact CB-CB 4.02Å; L57-V80 HydrophobicContact CD1-CB 3.8Å; L57-V80 HydrophobicContact CD1-CG1 3.6Å; L57-V80 HydrophobicContact CG-CB 3.93Å; L57-V80 HydrophobicContact CG-CG1 4.17Å; L57-T82 HydrophobicContact CD1-CG2 4.2Å; L57-T82 HydrophobicContact CD2-CG2 3.73Å; L57-T82 HydrophobicContact CG-CG2 4.25Å; L57-L107 HydrophobicContact CD1-CD1 4.1Å
58	A	98.9	Very high	98.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	111.5	169.8	0	0	0	0	0	109.2	I36 V44 M60 A73 A78 V80 T82	I36-A58 HydrophobicContact CD1-CB 4.39Å; V44-A58 HydrophobicContact CG1-CB 4.11Å; V44-A58 HydrophobicContact CG2-CB 3.84Å; A58-M60 HydrophobicContact CB-CG 4.07Å; A58-M60 HydrophobicContact CB-SD 4.38Å; A58-M60 PolarHBondContact O-N 2.9Å; A58-A73 HydrophobicContact CB-CB 4.13Å; A58-A78 HydrophobicContact CB-CB 3.78Å; A58-V80 PolarHBondContact N-O 3.01Å; A58-T82 PolarHBondContact O-N 3.16Å
59	D	98.8	Very high	98.2	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	71	-178.2	179.9	35.4	0	0	0	111.7	E30 I31 T33 L57 K61 T82	E30-D59 HydrophobicContact CG-CB 3.92Å; E30-D59 WeakPolarHBondContact OE1-CB 3.48Å; E30-D59 VanDerWaalsContact OE1-CG 3.28Å; I31-D59 WeakPolarHBondContact O-CB 3.14Å; I31-D59 PolarHBondContact O-N 3.23Å; T33-D59 WeakPolarHBondContact CA-O 3.27Å; T33-D59 PolarHBondContact N-OD2 2.84Å; T33-D59 PolarHBondContact OG1-O 2.97Å; T33-D59 PolarHBondContact OG1-OD2 3.15Å; L57-D59 HydrophobicContact CD2-CB 3.91Å; D59-K61 WeakPolarHBondContact OD1-CG 3.03Å; D59-K61 IonicContact OD1-NZ 3.95Å; D59-K61 PolarHBondContact OD1-NZ 2.9Å; D59-K61 IonicContact OD2-NZ 2.81Å; D59-K61 PolarHBondContact OD2-NZ 3.27Å; D59-T82 VanDerWaalsContact C-OG1 3.28Å; D59-T82 VanDerWaalsContact CA-OG1 3.28Å; D59-T82 WeakPolarHBondContact CA-OG1 3.44Å; D59-T82 HydrophobicContact CB-CG2 4.33Å; D59-T82 PolarHBondContact OD1-OG1 2.85Å
60	M	98.7	Very high	98.2	Very high	27 Å²	27	47.9 Å²	47.9	13%	0.133	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	-25.1	-174	-65	-64.4	-65.2	0	0	113.4	I36 L41 A58 I62 A73 I81 T82	I36-M60 HydrophobicContact CD1-SD 3.86Å; I36-M60 HydrophobicContact CG2-SD 4.12Å; L41-M60 HydrophobicContact CD2-CE 3.99Å; L41-M60 HydrophobicContact CD2-SD 3.52Å; L41-M60 VanDerWaalsContact CD2-SD 3.52Å; A58-M60 HydrophobicContact CB-CG 4.07Å; A58-M60 HydrophobicContact CB-SD 4.38Å; A58-M60 PolarHBondContact O-N 2.9Å; M60-I62 HydrophobicContact CB-CD1 4.05Å; M60-I62 HydrophobicContact CB-CG1 3.6Å; M60-I62 PolarHBondContact O-N 2.96Å; M60-A73 HydrophobicContact CG-CB 4.09Å; M60-A73 HydrophobicContact SD-CB 4.32Å; M60-I81 HydrophobicContact CB-CG2 4.26Å; M60-I81 HydrophobicContact CG-CG2 3.89Å; M60-T82 PolarHBondContact N-OG1 2.64Å
61	K	98.3	Very high	98.2	Very high	49 Å²	49	45.7 Å²	45.7	21%	0.213	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	45.3	48	-173.5	-69.3	-173.1	168.9	53	0	112.2	T33 D59 T82 L84 D109	T33-K61 WeakPolarHBondContact OG1-CD 3.44Å; T33-K61 PolarHBondContact OG1-NZ 3.33Å; D59-K61 WeakPolarHBondContact OD1-CG 3.03Å; D59-K61 IonicContact OD1-NZ 3.95Å; D59-K61 PolarHBondContact OD1-NZ 2.9Å; D59-K61 IonicContact OD2-NZ 2.81Å; D59-K61 PolarHBondContact OD2-NZ 3.27Å; K61-T82 PolarHBondContact N-O 2.75Å; K61-T82 PolarHBondContact N-OG1 3.47Å; K61-L84 HydrophobicContact CB-CD1 4.38Å; K61-L84 HydrophobicContact CB-CD2 4.11Å; K61-L84 HydrophobicContact CB-CG 4.1Å; K61-L84 HydrophobicContact CD-CD2 4.33Å; K61-L84 HydrophobicContact CG-CD2 4.14Å; K61-D109 IonicContact NZ-OD2 2.88Å
62	I	98.8	Very high	98.3	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.041	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	143.4	-177.6	-63.8	169.3	0	0	0	109.8	M60 D64 A66 E69 V70 I81 T82 I83 L84	M60-I62 HydrophobicContact CB-CD1 4.05Å; M60-I62 HydrophobicContact CB-CG1 3.6Å; M60-I62 PolarHBondContact O-N 2.96Å; I62-D64 WeakPolarHBondContact CG2-O 3.3Å; I62-A66 HydrophobicContact CG2-CB 3.92Å; I62-E69 HydrophobicContact CD1-CB 3.64Å; I62-E69 HydrophobicContact CG1-CB 3.84Å; I62-E69 HydrophobicContact CG2-CB 4.39Å; I62-V70 HydrophobicContact CD1-CG2 3.67Å; I62-I81 HydrophobicContact CD1-CG2 3.81Å; I62-T82 WeakPolarHBondContact CG1-O 3.37Å; I62-T82 PolarHBondContact N-O 3.42Å; I62-I83 HydrophobicContact CB-CB 4.14Å; I62-I83 HydrophobicContact CB-CD1 4.25Å; I62-I83 HydrophobicContact CB-CG1 3.91Å; I62-I83 HydrophobicContact CG2-CD1 3.92Å; I62-I83 HydrophobicContact CG2-CG1 4.1Å; I62-I83 WeakPolarHBondContact O-CG1 3.41Å; I62-L84 PolarHBondContact O-N 3.19Å
63	M	98.6	Very high	98.4	Very high	89 Å²	89	43.7 Å²	43.7	44%	0.438	23%	0.225	S	C	.	.			trans	-126.5	-34.9	177.4	-167.2	65.7	-172.2	0	0	112.1	L84 V86 A87	M63-L84 HydrophobicContact SD-CB 4.29Å; M63-L84 HydrophobicContact SD-CD1 3.97Å; M63-V86 HydrophobicContact CE-CG2 4.16Å; M63-V86 HydrophobicContact SD-CG2 4.11Å; M63-A87 HydrophobicContact SD-CB 3.97Å
64	D	98.2	Very high	98.6	Very high	116 Å²	116	37.2 Å²	37.2	62%	0.62	19%	0.19	S	C	*	.	S	Bend	trans	-146.3	178.9	176.5	70.9	-38.6	0	0	0	111.2	I62 A66	I62-D64 WeakPolarHBondContact CG2-O 3.3Å; D64-A66 PolarHBondContact O-N 2.94Å; D64-A66 VanDerWaalsContact O-N 3.07Å
65	A	97.5	Very high	98.6	Very high	48 Å²	48	43.4 Å²	43.4	40%	0.397	22%	0.215	S	C	.	.	S	Bend	trans	48.7	37.6	-176.6	0	0	0	0	0	113.5	D67 Y68 E69	A65-D67 PolarHBondContact O-N 3.26Å; A65-Y68 WeakPolarHBondContact O-CB 3.44Å; A65-Y68 PolarHBondContact O-N 3Å; A65-Y68 VanDerWaalsContact O-N 3.09Å; A65-E69 PolarHBondContact O-N 2.94Å
66	A	98.6	Very high	98.6	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.017	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-40.1	-161.1	0	0	0	0	0	115	I62 D64 V70 I83 S91 A95	I62-A66 HydrophobicContact CG2-CB 3.92Å; D64-A66 PolarHBondContact O-N 2.94Å; D64-A66 VanDerWaalsContact O-N 3.07Å; A66-V70 VanDerWaalsContact O-CB 3.29Å; A66-V70 WeakPolarHBondContact O-CB 3.38Å; A66-V70 WeakPolarHBondContact O-CG2 3.46Å; A66-V70 PolarHBondContact O-N 2.93Å; A66-I83 HydrophobicContact CB-CD1 4.03Å; A66-S91 WeakPolarHBondContact CB-O 3.5Å; A66-A95 HydrophobicContact CB-CB 3.94Å
67	D	98.3	Very high	98.6	Very high	88 Å²	88	44.1 Å²	44.1	47%	0.471	23%	0.225	S	C	.	.	H	α-helix	trans	-60.4	-46.7	174.7	61.3	-32.3	0	0	0	111.3	A65 S71 A94 E98	A65-D67 PolarHBondContact O-N 3.26Å; D67-S71 VanDerWaalsContact O-CB 3.31Å; D67-S71 WeakPolarHBondContact O-CB 3.39Å; D67-S71 PolarHBondContact O-N 3.35Å; D67-A94 HydrophobicContact CB-CB 4.32Å; D67-E98 HydrophobicContact CB-CB 4.37Å
68	Y	98.7	Very high	98.6	Very high	124 Å²	124	44.1 Å²	44.1	49%	0.486	23%	0.225	S	C	.	.	H	α-helix	trans	-62.8	-51.2	178.3	176.3	-100.7	0	0	0	111.5	A65 V70 S71 Q72	A65-Y68 WeakPolarHBondContact O-CB 3.44Å; A65-Y68 PolarHBondContact O-N 3Å; A65-Y68 VanDerWaalsContact O-N 3.09Å; Y68-V70 PolarHBondContact O-N 3.44Å; Y68-S71 PolarHBondContact O-N 2.74Å; Y68-S71 VanDerWaalsContact O-N 3.15Å; Y68-S71 PolarHBondContact O-OG 3.23Å; Y68-Q72 HydrophobicContact CD1-CG 4.27Å; Y68-Q72 HydrophobicContact CD2-CG 4.46Å; Y68-Q72 HydrophobicContact CE1-CG 3.78Å; Y68-Q72 HydrophobicContact CE2-CG 4Å; Y68-Q72 WeakPolarHBondContact O-CG 3.32Å; Y68-Q72 PolarHBondContact O-N 2.98Å
69	E	98.8	Very high	98.6	Very high	61 Å²	61	46.3 Å²	46.3	29%	0.285	24%	0.237	S	C	.	.	H	α-helix	trans	-64.4	-40.9	-177.4	-65.7	-57.7	154.1	0	0	112.3	I62 A65 Q72 A73	I62-E69 HydrophobicContact CD1-CB 3.64Å; I62-E69 HydrophobicContact CG1-CB 3.84Å; I62-E69 HydrophobicContact CG2-CB 4.39Å; A65-E69 PolarHBondContact O-N 2.94Å; E69-Q72 PolarHBondContact O-N 2.81Å; E69-A73 PolarHBondContact O-N 2.81Å
70	V	98.9	Very high	98.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60	-47.8	171.6	169.5	0	0	0	0	110.4	I62 A66 Y68 Q72 A73 I74 I81 A95 E98 A99 L106	I62-V70 HydrophobicContact CD1-CG2 3.67Å; A66-V70 VanDerWaalsContact O-CB 3.29Å; A66-V70 WeakPolarHBondContact O-CB 3.38Å; A66-V70 WeakPolarHBondContact O-CG2 3.46Å; A66-V70 PolarHBondContact O-N 2.93Å; Y68-V70 PolarHBondContact O-N 3.44Å; V70-Q72 PolarHBondContact O-N 2.82Å; V70-A73 PolarHBondContact O-N 2.89Å; V70-I74 HydrophobicContact CG1-CD1 3.62Å; V70-I74 HydrophobicContact CG1-CG1 4.26Å; V70-I74 VanDerWaalsContact O-CG1 3.27Å; V70-I74 WeakPolarHBondContact O-CG1 3.39Å; V70-I74 PolarHBondContact O-N 3.31Å; V70-I81 HydrophobicContact CG1-CD1 4.45Å; V70-I81 HydrophobicContact CG2-CG2 4.08Å; V70-A95 HydrophobicContact CG2-CB 3.84Å; V70-E98 HydrophobicContact CB-CB 4.49Å; V70-E98 HydrophobicContact CB-CG 4.46Å; V70-E98 HydrophobicContact CG1-CB 4.17Å; V70-E98 HydrophobicContact CG1-CG 4.13Å; V70-A99 HydrophobicContact CG1-CB 4.15Å; V70-L106 HydrophobicContact CG2-CD1 4.13Å
71	S	98.8	Very high	98.6	Very high	32 Å²	32	44.9 Å²	44.9	22%	0.224	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-35.2	179	80.9	0	0	0	0	112.5	D67 Y68 K75	D67-S71 VanDerWaalsContact O-CB 3.31Å; D67-S71 WeakPolarHBondContact O-CB 3.39Å; D67-S71 PolarHBondContact O-N 3.35Å; Y68-S71 PolarHBondContact O-N 2.74Å; Y68-S71 VanDerWaalsContact O-N 3.15Å; Y68-S71 PolarHBondContact O-OG 3.23Å; S71-K75 WeakPolarHBondContact O-CB 3.48Å; S71-K75 PolarHBondContact O-N 2.88Å
72	Q	98.8	Very high	98.7	Very high	34 Å²	34	42.7 Å²	42.7	16%	0.159	22%	0.221	C	C	.	.	H	α-helix	trans	-68.8	-49.3	175.7	-65.4	-44.9	-65.9	0	0	110.8	L41 Y68 E69 V70 I74 K75 F76	L41-Q72 HydrophobicContact CD1-CB 3.5Å; L41-Q72 VanDerWaalsContact CD1-CB 3.5Å; Y68-Q72 HydrophobicContact CD1-CG 4.27Å; Y68-Q72 HydrophobicContact CD2-CG 4.46Å; Y68-Q72 HydrophobicContact CE1-CG 3.78Å; Y68-Q72 HydrophobicContact CE2-CG 4Å; Y68-Q72 WeakPolarHBondContact O-CG 3.32Å; Y68-Q72 PolarHBondContact O-N 2.98Å; E69-Q72 PolarHBondContact O-N 2.81Å; V70-Q72 PolarHBondContact O-N 2.82Å; Q72-I74 VanDerWaalsContact C-N 3.28Å; Q72-I74 PolarHBondContact O-N 3.25Å; Q72-K75 WeakPolarHBondContact O-CB 3.32Å; Q72-K75 PolarHBondContact O-N 2.87Å; Q72-K75 VanDerWaalsContact O-N 3.14Å; Q72-F76 VanDerWaalsContact O-CD2 3.31Å; Q72-F76 WeakPolarHBondContact O-CD2 3.06Å; Q72-F76 PolarHBondContact O-N 2.92Å; Q72-F76 VanDerWaalsContact O-N 3.12Å
73	A	98.9	Very high	98.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-56.8	-42.5	177.5	0	0	0	0	0	112.3	L41 A58 M60 E69 V70 F76 G77 A78 I81	L41-A73 HydrophobicContact CD2-CB 4.38Å; A58-A73 HydrophobicContact CB-CB 4.13Å; M60-A73 HydrophobicContact CG-CB 4.09Å; M60-A73 HydrophobicContact SD-CB 4.32Å; E69-A73 PolarHBondContact O-N 2.81Å; V70-A73 PolarHBondContact O-N 2.89Å; A73-F76 CarbonylContact O-C 3.58Å; A73-F76 PolarHBondContact O-N 3.2Å; A73-F76 VanDerWaalsContact O-N 3.14Å; A73-G77 PolarHBondContact O-N 2.83Å; A73-A78 HydrophobicContact CB-CB 4.08Å; A73-A78 WeakPolarHBondContact O-CB 3.39Å; A73-A78 PolarHBondContact O-N 3.09Å; A73-A78 VanDerWaalsContact O-N 3.07Å; A73-I81 HydrophobicContact CB-CG1 3.76Å; A73-I81 HydrophobicContact CB-CG2 4.17Å
74	I	98.8	Very high	98.7	Very high	25 Å²	25	39.5 Å²	39.5	13%	0.128	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-43.9	176.7	-66	175.9	0	0	0	111.6	V70 Q72 F76 G77 I81 N102 K104	V70-I74 HydrophobicContact CG1-CD1 3.62Å; V70-I74 HydrophobicContact CG1-CG1 4.26Å; V70-I74 VanDerWaalsContact O-CG1 3.27Å; V70-I74 WeakPolarHBondContact O-CG1 3.39Å; V70-I74 PolarHBondContact O-N 3.31Å; Q72-I74 VanDerWaalsContact C-N 3.28Å; Q72-I74 PolarHBondContact O-N 3.25Å; I74-F76 PolarHBondContact O-N 2.99Å; I74-G77 PolarHBondContact O-N 2.89Å; I74-I81 HydrophobicContact CD1-CD1 4.19Å; I74-I81 HydrophobicContact CG1-CD1 3.67Å; I74-I81 HydrophobicContact CG1-CG1 4.45Å; I74-N102 HydrophobicContact CD1-CB 3.8Å; I74-N102 HydrophobicContact CG2-CB 4.12Å; I74-K104 HydrophobicContact CD1-CB 3.97Å; I74-K104 HydrophobicContact CD1-CG 3.8Å; I74-K104 HydrophobicContact CG1-CB 4.31Å; I74-K104 HydrophobicContact CG1-CG 3.9Å; I74-K104 HydrophobicContact CG2-CG 4.15Å
75	K	98.7	Very high	98.7	Very high	148 Å²	148	34 Å²	34	64%	0.643	18%	0.176	S	C	*	.	H	α-helix	trans	-57.8	-31.4	175.5	174.4	-175.5	169.6	-170.4	0	112.3	S71 Q72 G77	S71-K75 WeakPolarHBondContact O-CB 3.48Å; S71-K75 PolarHBondContact O-N 2.88Å; Q72-K75 WeakPolarHBondContact O-CB 3.32Å; Q72-K75 PolarHBondContact O-N 2.87Å; Q72-K75 VanDerWaalsContact O-N 3.14Å; K75-G77 VanDerWaalsContact C-N 3.33Å
76	F	98.8	Very high	98.8	Very high	48 Å²	48	34.9 Å²	34.9	21%	0.211	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	8.8	175.5	-76.9	-99.2	0	0	0	113.5	L41 P42 V44 K45 Q72 A73 I74	L41-F76 HydrophobicContact CB-CB 4.08Å; L41-F76 HydrophobicContact CB-CD1 3.77Å; L41-F76 HydrophobicContact CB-CD2 3.61Å; L41-F76 HydrophobicContact CB-CE1 4.05Å; L41-F76 HydrophobicContact CB-CE2 3.87Å; L41-F76 HydrophobicContact CB-CG 3.55Å; L41-F76 HydrophobicContact CB-CZ 4.09Å; L41-F76 HydrophobicContact CD1-CD2 3.84Å; L41-F76 HydrophobicContact CD1-CE2 4.05Å; L41-F76 HydrophobicContact CG-CD2 4.33Å; L41-F76 WeakPolarHBondContact O-CD1 3.39Å; P42-F76 HydrophobicContact CB-CE1 4.45Å; P42-F76 HydrophobicContact CG-CE1 3.88Å; V44-F76 CarbonylContact C-O 3.36Å; V44-F76 HydrophobicContact CB-CB 4.37Å; K45-F76 WeakPolarHBondContact CA-O 3.27Å; K45-F76 HydrophobicContact CB-CB 4.19Å; K45-F76 HydrophobicContact CB-CD1 3.71Å; K45-F76 HydrophobicContact CB-CG 4.4Å; K45-F76 WeakPolarHBondContact CB-O 3.4Å; K45-F76 PolarHBondContact N-O 3.08Å; K45-F76 VanDerWaalsContact N-O 3.14Å; Q72-F76 VanDerWaalsContact O-CD2 3.31Å; Q72-F76 WeakPolarHBondContact O-CD2 3.06Å; Q72-F76 PolarHBondContact O-N 2.92Å; Q72-F76 VanDerWaalsContact O-N 3.12Å; A73-F76 CarbonylContact O-C 3.58Å; A73-F76 PolarHBondContact O-N 3.2Å; A73-F76 VanDerWaalsContact O-N 3.14Å; I74-F76 PolarHBondContact O-N 2.99Å
77	G	98.5	Very high	98.8	Very high	24 Å²	24	34.8 Å²	34.8	25%	0.247	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	12.1	168.8	0	0	0	0	0	115.5	A73 I74 K75	A73-G77 PolarHBondContact O-N 2.83Å; I74-G77 PolarHBondContact O-N 2.89Å; K75-G77 VanDerWaalsContact C-N 3.33Å
78	A	98.9	Very high	98.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.			trans	-66.5	136.5	173.5	0	0	0	0	0	111.9	V44 A58 A73 I81 K104	V44-A78 HydrophobicContact CG1-CB 4.14Å; A58-A78 HydrophobicContact CB-CB 3.78Å; A73-A78 HydrophobicContact CB-CB 4.08Å; A73-A78 WeakPolarHBondContact O-CB 3.39Å; A73-A78 PolarHBondContact O-N 3.09Å; A73-A78 VanDerWaalsContact O-N 3.07Å; A78-I81 HydrophobicContact CB-CD1 4.14Å; A78-I81 HydrophobicContact CB-CG1 3.95Å; A78-K104 WeakPolarHBondContact O-CE 3.32Å
79	D	98.9	Very high	98.8	Very high	46 Å²	46	34.3 Å²	34.3	25%	0.246	18%	0.177	C	C	.	.	S	Bend	trans	-94.7	-32.1	170	-63.6	-56.8	0	0	0	112.3	K55 V56 K104 Q105	K55-D79 WeakPolarHBondContact CA-OD2 3.28Å; K55-D79 HydrophobicContact CB-CB 3.96Å; K55-D79 HydrophobicContact CG-CB 4.37Å; V56-D79 PolarHBondContact N-OD2 3.09Å; V56-D79 WeakPolarHBondContact O-CA 3.34Å; V56-D79 PolarHBondContact O-N 3.48Å; D79-K104 IonicContact OD1-NZ 3.59Å; D79-K104 PolarHBondContact OD1-NZ 3.02Å; D79-Q105 PolarHBondContact O-N 2.83Å
80	V	98.9	Very high	98.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	138.9	176.6	-167.4	0	0	0	0	109.2	K55 V56 L57 A58 Q105 L107	K55-V80 HydrophobicContact CD-CG2 4.35Å; V56-V80 PolarHBondContact O-N 3.34Å; V56-V80 VanDerWaalsContact O-N 3.14Å; L57-V80 CarbonylContact C-O 3.51Å; L57-V80 VanDerWaalsContact CA-O 3.26Å; L57-V80 WeakPolarHBondContact CA-O 3.48Å; L57-V80 HydrophobicContact CB-CB 4.02Å; L57-V80 HydrophobicContact CD1-CB 3.8Å; L57-V80 HydrophobicContact CD1-CG1 3.6Å; L57-V80 HydrophobicContact CG-CB 3.93Å; L57-V80 HydrophobicContact CG-CG1 4.17Å; A58-V80 PolarHBondContact N-O 3.01Å; V80-Q105 WeakPolarHBondContact CA-O 3.31Å; V80-Q105 HydrophobicContact CG1-CB 4.38Å; V80-Q105 HydrophobicContact CG2-CB 4.3Å; V80-L107 HydrophobicContact CG1-CB 3.98Å
81	I	98.9	Very high	98.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	142.3	-177.4	-56.8	87	0	0	0	108.8	M60 I62 V70 A73 I74 A78 K104 Q105 L106 L107	M60-I81 HydrophobicContact CB-CG2 4.26Å; M60-I81 HydrophobicContact CG-CG2 3.89Å; I62-I81 HydrophobicContact CD1-CG2 3.81Å; V70-I81 HydrophobicContact CG1-CD1 4.45Å; V70-I81 HydrophobicContact CG2-CG2 4.08Å; A73-I81 HydrophobicContact CB-CG1 3.76Å; A73-I81 HydrophobicContact CB-CG2 4.17Å; I74-I81 HydrophobicContact CD1-CD1 4.19Å; I74-I81 HydrophobicContact CG1-CD1 3.67Å; I74-I81 HydrophobicContact CG1-CG1 4.45Å; A78-I81 HydrophobicContact CB-CD1 4.14Å; A78-I81 HydrophobicContact CB-CG1 3.95Å; I81-K104 HydrophobicContact CD1-CB 4.26Å; I81-Q105 PolarHBondContact N-O 3.33Å; I81-Q105 VanDerWaalsContact N-O 3.1Å; I81-L106 HydrophobicContact CB-CD1 4.36Å; I81-L106 WeakPolarHBondContact O-CD1 3.29Å; I81-L107 PolarHBondContact O-N 3.2Å
82	T	98.9	Very high	98.8	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139	178.7	72.1	0	0	0	0	113.2	L57 A58 D59 M60 K61 I62 L107	L57-T82 HydrophobicContact CD1-CG2 4.2Å; L57-T82 HydrophobicContact CD2-CG2 3.73Å; L57-T82 HydrophobicContact CG-CG2 4.25Å; A58-T82 PolarHBondContact O-N 3.16Å; D59-T82 VanDerWaalsContact C-OG1 3.28Å; D59-T82 VanDerWaalsContact CA-OG1 3.28Å; D59-T82 WeakPolarHBondContact CA-OG1 3.44Å; D59-T82 HydrophobicContact CB-CG2 4.33Å; D59-T82 PolarHBondContact OD1-OG1 2.85Å; M60-T82 PolarHBondContact N-OG1 2.64Å; K61-T82 PolarHBondContact N-O 2.75Å; K61-T82 PolarHBondContact N-OG1 3.47Å; I62-T82 WeakPolarHBondContact CG1-O 3.37Å; I62-T82 PolarHBondContact N-O 3.42Å; T82-L107 VanDerWaalsContact CA-O 3.27Å; T82-L107 WeakPolarHBondContact CA-O 3.48Å; T82-L107 HydrophobicContact CG2-CB 4.37Å; T82-L107 HydrophobicContact CG2-CD2 3.96Å
83	I	98.9	Very high	98.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.3	166.7	-171.8	159.4	0	0	0	108.8	I62 A66 A87 I92 A95 L106 L107 V108 D109	I62-I83 HydrophobicContact CB-CB 4.14Å; I62-I83 HydrophobicContact CB-CD1 4.25Å; I62-I83 HydrophobicContact CB-CG1 3.91Å; I62-I83 HydrophobicContact CG2-CD1 3.92Å; I62-I83 HydrophobicContact CG2-CG1 4.1Å; I62-I83 WeakPolarHBondContact O-CG1 3.41Å; A66-I83 HydrophobicContact CB-CD1 4.03Å; I83-A87 HydrophobicContact CD1-CB 4.32Å; I83-A87 HydrophobicContact CG1-CB 4.14Å; I83-I92 HydrophobicContact CD1-CG1 3.98Å; I83-I92 HydrophobicContact CG1-CG1 4.37Å; I83-A95 HydrophobicContact CD1-CB 3.8Å; I83-L106 HydrophobicContact CB-CD1 4.45Å; I83-L106 HydrophobicContact CG2-CD1 4.16Å; I83-L106 HydrophobicContact CG2-CD2 3.66Å; I83-L106 HydrophobicContact CG2-CG 3.95Å; I83-L107 PolarHBondContact N-O 2.86Å; I83-V108 HydrophobicContact CG2-CB 4.31Å; I83-V108 HydrophobicContact CG2-CG1 4.3Å; I83-V108 HydrophobicContact CG2-CG2 3.81Å; I83-V108 CarbonylContact O-C 3.56Å; I83-V108 WeakPolarHBondContact O-CA 3.36Å; I83-D109 PolarHBondContact O-N 3.06Å
84	L	98.9	Very high	98.7	Very high	29 Å²	29	38.8 Å²	38.8	15%	0.152	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	134.6	176.3	-65.8	171.1	0	0	0	110.8	K61 I62 M63 V86 A87 D109 I111	K61-L84 HydrophobicContact CB-CD1 4.38Å; K61-L84 HydrophobicContact CB-CD2 4.11Å; K61-L84 HydrophobicContact CB-CG 4.1Å; K61-L84 HydrophobicContact CD-CD2 4.33Å; K61-L84 HydrophobicContact CG-CD2 4.14Å; I62-L84 PolarHBondContact O-N 3.19Å; M63-L84 HydrophobicContact SD-CB 4.29Å; M63-L84 HydrophobicContact SD-CD1 3.97Å; L84-V86 HydrophobicContact CB-CG2 3.86Å; L84-V86 HydrophobicContact CD1-CG2 4.42Å; L84-V86 PolarHBondContact O-N 2.93Å; L84-A87 WeakPolarHBondContact O-CB 3.43Å; L84-A87 PolarHBondContact O-N 3.42Å; L84-D109 HydrophobicContact CD2-CB 4.45Å; L84-I111 HydrophobicContact CD2-CG2 3.43Å; L84-I111 VanDerWaalsContact CD2-CG2 3.43Å
85	G	98.7	Very high	98.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.1	174.6	0	0	0	0	0	113.4	A87 D109 R119	G85-A87 VanDerWaalsContact C-N 3.34Å; G85-D109 PolarHBondContact N-O 2.83Å; G85-R119 PolarHBondContact O-NE 3.38Å; G85-R119 PolarHBondContact O-NH2 2.76Å
86	V	98.4	Very high	98.8	Very high	67 Å²	67	31 Å²	31	41%	0.406	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-6.2	171.7	-63.1	0	0	0	0	113.7	M63 L84 V113	M63-V86 HydrophobicContact CE-CG2 4.16Å; M63-V86 HydrophobicContact SD-CG2 4.11Å; L84-V86 HydrophobicContact CB-CG2 3.86Å; L84-V86 HydrophobicContact CD1-CG2 4.42Å; L84-V86 PolarHBondContact O-N 2.93Å; V86-V113 HydrophobicContact CG1-CG2 3.72Å
87	A	98.6	Very high	98.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	20%	0.199	C	C	.	.	S	Bend	trans	-65.7	157.9	174.5	0	0	0	0	0	111.4	M63 I83 L84 G85 I92 R119	M63-A87 HydrophobicContact SD-CB 3.97Å; I83-A87 HydrophobicContact CD1-CB 4.32Å; I83-A87 HydrophobicContact CG1-CB 4.14Å; L84-A87 WeakPolarHBondContact O-CB 3.43Å; L84-A87 PolarHBondContact O-N 3.42Å; G85-A87 VanDerWaalsContact C-N 3.34Å; A87-I92 HydrophobicContact CB-CD1 4.43Å; A87-I92 HydrophobicContact CB-CG1 4.12Å; A87-R119 PolarHBondContact O-NH2 3.29Å
88	E	98.5	Very high	98.8	Very high	142 Å²	142	35.6 Å²	35.6	66%	0.664	19%	0.194	S	C	*	.			trans	-60.1	144	176.8	-65.2	-65.6	169.8	0	0	111.5	A90 S91 I92	E88-A90 PolarHBondContact O-N 3.07Å; E88-A90 VanDerWaalsContact O-N 3.12Å; E88-S91 WeakPolarHBondContact O-CA 3.48Å; E88-S91 WeakPolarHBondContact O-CB 3.45Å; E88-S91 PolarHBondContact O-N 2.84Å; E88-I92 PolarHBondContact O-N 3.18Å
89	D	98.7	Very high	98.8	Very high	60 Å²	60	35.6 Å²	35.6	32%	0.321	19%	0.194	S	C	.	.	H	α-helix	trans	-54.4	-35.9	179.3	-74	7.3	0	0	0	112.7	S91 I92 K93 R119 M126	D89-S91 VanDerWaalsContact C-N 3.34Å; D89-I92 PolarHBondContact O-N 3.07Å; D89-K93 WeakPolarHBondContact O-CB 3.18Å; D89-K93 VanDerWaalsContact O-CG 3.29Å; D89-K93 WeakPolarHBondContact O-CG 3.27Å; D89-K93 PolarHBondContact O-N 3.49Å; D89-R119 IonicContact OD1-CZ 3.08Å; D89-R119 VanDerWaalsContact OD1-CZ 3.27Å; D89-R119 IonicContact OD1-NH1 2.75Å; D89-R119 PolarHBondContact OD1-NH1 3.08Å; D89-R119 IonicContact OD1-NH2 3.2Å; D89-R119 PolarHBondContact OD1-NH2 3.24Å; D89-M126 HydrophobicContact CB-CE 3.95Å; D89-M126 WeakPolarHBondContact OD2-CE 3.36Å
90	A	98.6	Very high	98.8	Very high	77 Å²	77	37.1 Å²	37.1	64%	0.636	20%	0.2	S	C	*	.	H	α-helix	trans	-62.3	-42.1	176.8	0	0	0	0	0	111.6	E88 A94	E88-A90 PolarHBondContact O-N 3.07Å; E88-A90 VanDerWaalsContact O-N 3.12Å; A90-A94 WeakPolarHBondContact O-CB 3.47Å; A90-A94 PolarHBondContact O-N 3.34Å
91	S	98.8	Very high	98.7	Very high	19 Å²	19	44.1 Å²	44.1	13%	0.133	23%	0.23	C	C	.	.	H	α-helix	trans	-65.6	-45.6	176	-59.9	0	0	0	0	111.1	A66 E88 D89 K93 A94 A95	A66-S91 WeakPolarHBondContact CB-O 3.5Å; E88-S91 WeakPolarHBondContact O-CA 3.48Å; E88-S91 WeakPolarHBondContact O-CB 3.45Å; E88-S91 PolarHBondContact O-N 2.84Å; D89-S91 VanDerWaalsContact C-N 3.34Å; S91-K93 PolarHBondContact O-N 3.34Å; S91-A94 PolarHBondContact O-N 2.99Å; S91-A95 WeakPolarHBondContact O-CB 3.26Å; S91-A95 PolarHBondContact O-N 3.17Å
92	I	98.9	Very high	98.7	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.2	-45.5	-179.7	-60.8	-176.1	0	0	0	111.5	I83 A87 E88 D89 A94 A95 I96 V108 R119 L123 M126	I83-I92 HydrophobicContact CD1-CG1 3.98Å; I83-I92 HydrophobicContact CG1-CG1 4.37Å; A87-I92 HydrophobicContact CB-CD1 4.43Å; A87-I92 HydrophobicContact CB-CG1 4.12Å; E88-I92 PolarHBondContact O-N 3.18Å; D89-I92 PolarHBondContact O-N 3.07Å; I92-A94 PolarHBondContact O-N 3.09Å; I92-A95 PolarHBondContact O-N 2.93Å; I92-I96 HydrophobicContact CG2-CD1 3.92Å; I92-I96 HydrophobicContact CG2-CG1 4.44Å; I92-I96 VanDerWaalsContact O-CG1 3.3Å; I92-I96 WeakPolarHBondContact O-CG1 3.45Å; I92-I96 PolarHBondContact O-N 2.96Å; I92-V108 HydrophobicContact CD1-CG1 4.48Å; I92-V108 HydrophobicContact CG2-CG2 4.36Å; I92-R119 VanDerWaalsContact CD1-NH2 3.27Å; I92-L123 HydrophobicContact CD1-CD2 3.53Å; I92-L123 HydrophobicContact CG2-CD2 3.83Å; I92-M126 HydrophobicContact CB-SD 4.45Å; I92-M126 HydrophobicContact CG2-SD 4.15Å
93	K	98.8	Very high	98.7	Very high	97 Å²	97	54.1 Å²	54.1	42%	0.422	28%	0.283	S	S	.	.	H	α-helix	trans	-60.9	-45.1	176.3	-71.9	169.1	-176.8	170.2	0	111.9	D89 S91 A95 I96 E97 M126	D89-K93 WeakPolarHBondContact O-CB 3.18Å; D89-K93 VanDerWaalsContact O-CG 3.29Å; D89-K93 WeakPolarHBondContact O-CG 3.27Å; D89-K93 PolarHBondContact O-N 3.49Å; S91-K93 PolarHBondContact O-N 3.34Å; K93-A95 VanDerWaalsContact C-N 3.32Å; K93-A95 PolarHBondContact O-N 2.75Å; K93-I96 PolarHBondContact O-N 2.96Å; K93-E97 WeakPolarHBondContact O-CB 3.31Å; K93-E97 WeakPolarHBondContact O-CG 3.46Å; K93-E97 PolarHBondContact O-N 3.07Å; K93-M126 HydrophobicContact CG-CG 4.21Å; K93-M126 HydrophobicContact CG-SD 4.12Å
94	A	98.8	Very high	98.7	Very high	28 Å²	28	56.6 Å²	56.6	23%	0.231	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-39	177.2	0	0	0	0	0	112.5	D67 A90 S91 I92 E98	D67-A94 HydrophobicContact CB-CB 4.32Å; A90-A94 WeakPolarHBondContact O-CB 3.47Å; A90-A94 PolarHBondContact O-N 3.34Å; S91-A94 PolarHBondContact O-N 2.99Å; I92-A94 PolarHBondContact O-N 3.09Å; A94-E98 WeakPolarHBondContact O-CB 3.17Å; A94-E98 PolarHBondContact O-N 3.32Å
95	A	98.9	Very high	98.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-44.5	174.9	0	0	0	0	0	112.3	A66 V70 I83 S91 I92 K93 A99 L106	A66-A95 HydrophobicContact CB-CB 3.94Å; V70-A95 HydrophobicContact CG2-CB 3.84Å; I83-A95 HydrophobicContact CD1-CB 3.8Å; S91-A95 WeakPolarHBondContact O-CB 3.26Å; S91-A95 PolarHBondContact O-N 3.17Å; I92-A95 PolarHBondContact O-N 2.93Å; K93-A95 VanDerWaalsContact C-N 3.32Å; K93-A95 PolarHBondContact O-N 2.75Å; A95-A99 VanDerWaalsContact O-CB 3.31Å; A95-A99 WeakPolarHBondContact O-CB 3.45Å; A95-A99 PolarHBondContact O-N 3.26Å; A95-L106 HydrophobicContact CB-CD1 3.8Å; A95-L106 HydrophobicContact CB-CD2 3.55Å; A95-L106 HydrophobicContact CB-CG 4.35Å
96	I	98.9	Very high	98.7	Very high	9 Å²	9	57.3 Å²	57.3	5%	0.046	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-50.5	177.7	-68.7	169	0	0	0	109.3	I92 K93 E98 A99 H100 L106 M126 A128	I92-I96 HydrophobicContact CG2-CD1 3.92Å; I92-I96 HydrophobicContact CG2-CG1 4.44Å; I92-I96 VanDerWaalsContact O-CG1 3.3Å; I92-I96 WeakPolarHBondContact O-CG1 3.45Å; I92-I96 PolarHBondContact O-N 2.96Å; K93-I96 PolarHBondContact O-N 2.96Å; I96-E98 PolarHBondContact O-N 2.87Å; I96-A99 PolarHBondContact O-N 3.27Å; I96-H100 VanDerWaalsContact CG2-CE1 3.44Å; I96-H100 WeakPolarHBondContact CG2-CE1 3.47Å; I96-H100 WeakPolarHBondContact O-CB 3.32Å; I96-H100 VanDerWaalsContact O-CG 3.27Å; I96-H100 PolarHBondContact O-N 3.07Å; I96-L106 HydrophobicContact CB-CD2 4.38Å; I96-L106 HydrophobicContact CG1-CD2 3.46Å; I96-L106 VanDerWaalsContact CG1-CD2 3.46Å; I96-M126 HydrophobicContact CD1-CB 3.89Å; I96-M126 WeakPolarHBondContact CD1-O 3.26Å; I96-A128 HydrophobicContact CD1-CB 4.25Å
97	E	98.8	Very high	98.7	Very high	137 Å²	137	54.4 Å²	54.4	64%	0.64	28%	0.279	S	S	*	.	H	α-helix	trans	-58.6	-46.9	-179.7	-73.9	176.8	-170.5	0	0	112.1	K93 K101	K93-E97 WeakPolarHBondContact O-CB 3.31Å; K93-E97 WeakPolarHBondContact O-CG 3.46Å; K93-E97 PolarHBondContact O-N 3.07Å; E97-K101 WeakPolarHBondContact O-CB 3.44Å; E97-K101 PolarHBondContact O-N 3.43Å
98	E	98.9	Very high	98.8	Very high	31 Å²	31	54.3 Å²	54.3	15%	0.145	28%	0.278	C	S	.	.	H	α-helix	trans	-70.3	-37.1	-179.2	-171.6	61.1	-153.4	0	0	112.2	D67 V70 A94 I96 K101 N102	D67-E98 HydrophobicContact CB-CB 4.37Å; V70-E98 HydrophobicContact CB-CB 4.49Å; V70-E98 HydrophobicContact CB-CG 4.46Å; V70-E98 HydrophobicContact CG1-CB 4.17Å; V70-E98 HydrophobicContact CG1-CG 4.13Å; A94-E98 WeakPolarHBondContact O-CB 3.17Å; A94-E98 PolarHBondContact O-N 3.32Å; I96-E98 PolarHBondContact O-N 2.87Å; E98-K101 IonicContact OE1-NZ 2.72Å; E98-K101 PolarHBondContact OE1-NZ 3.48Å; E98-K101 IonicContact OE2-NZ 3.2Å; E98-K101 PolarHBondContact OE2-NZ 2.95Å; E98-N102 PolarHBondContact O-N 2.82Å; E98-N102 PolarHBondContact O-ND2 3.44Å; E98-N102 PolarHBondContact OE1-ND2 2.93Å
99	A	98.9	Very high	98.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-51.9	173.8	0	0	0	0	0	111	V70 A95 I96 K101 N102 N103 K104 L106	V70-A99 HydrophobicContact CG1-CB 4.15Å; A95-A99 VanDerWaalsContact O-CB 3.31Å; A95-A99 WeakPolarHBondContact O-CB 3.45Å; A95-A99 PolarHBondContact O-N 3.26Å; I96-A99 PolarHBondContact O-N 3.27Å; A99-K101 PolarHBondContact O-N 3.14Å; A99-N102 CarbonylContact O-C 3.44Å; A99-N102 PolarHBondContact O-N 3.22Å; A99-N102 VanDerWaalsContact O-N 3.07Å; A99-N103 PolarHBondContact O-N 3.27Å; A99-K104 CarbonylContact C-O 3.59Å; A99-K104 PolarHBondContact O-N 3.01Å; A99-L106 HydrophobicContact CB-CB 4.31Å
100	H	98.8	Very high	98.8	Very high	79 Å²	79	45.1 Å²	45.1	37%	0.366	23%	0.234	S	C	.	.	H	α-helix	trans	-64.9	-39.2	-177.4	-69.6	-176.4	0	0	0	112.4	I96 N102 N103 G127 D129	I96-H100 VanDerWaalsContact CG2-CE1 3.44Å; I96-H100 WeakPolarHBondContact CG2-CE1 3.47Å; I96-H100 WeakPolarHBondContact O-CB 3.32Å; I96-H100 VanDerWaalsContact O-CG 3.27Å; I96-H100 PolarHBondContact O-N 3.07Å; H100-N102 PolarHBondContact O-N 3.23Å; H100-N102 VanDerWaalsContact O-N 3.14Å; H100-N103 PolarHBondContact O-N 3.1Å; H100-G127 PolarHBondContact CE1-O 3.03Å; H100-D129 IonicContact CD2-OD2 3.91Å; H100-D129 IonicContact CE1-OD2 2.83Å; H100-D129 IonicContact NE2-OD1 2.89Å; H100-D129 IonicContact NE2-OD2 3.66Å; H100-D129 PolarHBondContact NE2-OD2 3.19Å
101	K	98.5	Very high	98.7	Very high	147 Å²	147	43.5 Å²	43.5	64%	0.639	21%	0.214	S	C	*	.	H	α-helix	trans	-56.2	-28.7	174	172.5	177.2	149.8	-140.7	0	112.9	E97 E98 A99	E97-K101 WeakPolarHBondContact O-CB 3.44Å; E97-K101 PolarHBondContact O-N 3.43Å; E98-K101 IonicContact OE1-NZ 2.72Å; E98-K101 PolarHBondContact OE1-NZ 3.48Å; E98-K101 IonicContact OE2-NZ 3.2Å; E98-K101 PolarHBondContact OE2-NZ 2.95Å; A99-K101 PolarHBondContact O-N 3.14Å
102	N	98.6	Very high	98.5	Very high	61 Å²	61	46 Å²	46	33%	0.326	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	11.2	177.9	-69.9	-80.3	0	0	0	113.2	I74 E98 A99 H100 K104	I74-N102 HydrophobicContact CD1-CB 3.8Å; I74-N102 HydrophobicContact CG2-CB 4.12Å; E98-N102 PolarHBondContact O-N 2.82Å; E98-N102 PolarHBondContact O-ND2 3.44Å; E98-N102 PolarHBondContact OE1-ND2 2.93Å; A99-N102 CarbonylContact O-C 3.44Å; A99-N102 PolarHBondContact O-N 3.22Å; A99-N102 VanDerWaalsContact O-N 3.07Å; H100-N102 PolarHBondContact O-N 3.23Å; H100-N102 VanDerWaalsContact O-N 3.14Å; N102-K104 HydrophobicContact CB-CG 4.2Å; N102-K104 PolarHBondContact O-N 2.87Å
103	N	98.6	Very high	98.5	Very high	152 Å²	152	46.9 Å²	46.9	81%	0.813	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	34.1	-174.4	-53.2	-72	0	0	0	113.4	A99 H100	A99-N103 PolarHBondContact O-N 3.27Å; H100-N103 PolarHBondContact O-N 3.1Å
104	K	98.8	Very high	98.3	Very high	52 Å²	52	50.9 Å²	50.9	23%	0.226	26%	0.261	C	S	.	.			trans	-110	170.3	175.3	-56.9	-45.3	-158.8	171.4	0	110.1	I74 A78 D79 I81 A99 N102	I74-K104 HydrophobicContact CD1-CB 3.97Å; I74-K104 HydrophobicContact CD1-CG 3.8Å; I74-K104 HydrophobicContact CG1-CB 4.31Å; I74-K104 HydrophobicContact CG1-CG 3.9Å; I74-K104 HydrophobicContact CG2-CG 4.15Å; A78-K104 WeakPolarHBondContact O-CE 3.32Å; D79-K104 IonicContact OD1-NZ 3.59Å; D79-K104 PolarHBondContact OD1-NZ 3.02Å; I81-K104 HydrophobicContact CD1-CB 4.26Å; A99-K104 CarbonylContact C-O 3.59Å; A99-K104 PolarHBondContact O-N 3.01Å; N102-K104 HydrophobicContact CB-CG 4.2Å; N102-K104 PolarHBondContact O-N 2.87Å
105	Q	98.9	Very high	98.3	Very high	45 Å²	45	53.7 Å²	53.7	21%	0.21	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	148.1	-174.3	-51.8	-164.4	-88.2	0	0	111.3	D79 V80 I81 D129 Y130	D79-Q105 PolarHBondContact O-N 2.83Å; V80-Q105 WeakPolarHBondContact CA-O 3.31Å; V80-Q105 HydrophobicContact CG1-CB 4.38Å; V80-Q105 HydrophobicContact CG2-CB 4.3Å; I81-Q105 PolarHBondContact N-O 3.33Å; I81-Q105 VanDerWaalsContact N-O 3.1Å; Q105-D129 WeakPolarHBondContact CA-OD2 3.25Å; Q105-D129 HydrophobicContact CB-CB 3.91Å; Q105-D129 PolarHBondContact NE2-OD1 2.76Å; Q105-Y130 HydrophobicContact CB-CE2 4.27Å
106	L	98.9	Very high	98.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.5	173.8	-165.8	76.9	0	0	0	111.1	V70 I81 I83 A95 I96 A99 V108 D129 Y130	V70-L106 HydrophobicContact CG2-CD1 4.13Å; I81-L106 HydrophobicContact CB-CD1 4.36Å; I81-L106 WeakPolarHBondContact O-CD1 3.29Å; I83-L106 HydrophobicContact CB-CD1 4.45Å; I83-L106 HydrophobicContact CG2-CD1 4.16Å; I83-L106 HydrophobicContact CG2-CD2 3.66Å; I83-L106 HydrophobicContact CG2-CG 3.95Å; A95-L106 HydrophobicContact CB-CD1 3.8Å; A95-L106 HydrophobicContact CB-CD2 3.55Å; A95-L106 HydrophobicContact CB-CG 4.35Å; I96-L106 HydrophobicContact CB-CD2 4.38Å; I96-L106 HydrophobicContact CG1-CD2 3.46Å; I96-L106 VanDerWaalsContact CG1-CD2 3.46Å; A99-L106 HydrophobicContact CB-CB 4.31Å; L106-V108 HydrophobicContact CD2-CG2 4.35Å; L106-D129 PolarHBondContact N-OD2 2.91Å; L106-D129 WeakPolarHBondContact O-CB 3.2Å; L106-D129 PolarHBondContact O-N 2.57Å; L106-Y130 PolarHBondContact O-N 3.22Å; L106-Y130 VanDerWaalsContact O-N 3.09Å
107	L	98.9	Very high	98.2	Very high	5 Å²	5	59 Å²	59	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.2	169.5	-177.1	154.7	0	0	0	109.4	L57 V80 I81 T82 I83 D109 Y130 A132 A163 L183 I185	L57-L107 HydrophobicContact CD1-CD1 4.1Å; V80-L107 HydrophobicContact CG1-CB 3.98Å; I81-L107 PolarHBondContact O-N 3.2Å; T82-L107 VanDerWaalsContact CA-O 3.27Å; T82-L107 WeakPolarHBondContact CA-O 3.48Å; T82-L107 HydrophobicContact CG2-CB 4.37Å; T82-L107 HydrophobicContact CG2-CD2 3.96Å; I83-L107 PolarHBondContact N-O 2.86Å; L107-D109 HydrophobicContact CD2-CB 4.33Å; L107-Y130 WeakPolarHBondContact CA-O 3.43Å; L107-Y130 HydrophobicContact CD1-CG 4.45Å; L107-A132 HydrophobicContact CD1-CB 4.23Å; L107-A132 HydrophobicContact CD2-CB 3.58Å; L107-A132 HydrophobicContact CG-CB 4.03Å; L107-A163 HydrophobicContact CD1-CB 4.37Å; L107-L183 HydrophobicContact CD1-CD2 4.21Å; L107-I185 HydrophobicContact CD1-CD1 4.24Å
108	V	98.9	Very high	98.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	112.8	174.7	-172.8	0	0	0	0	109.1	I83 I92 L106 L123 A128 Y130 A132	I83-V108 HydrophobicContact CG2-CB 4.31Å; I83-V108 HydrophobicContact CG2-CG1 4.3Å; I83-V108 HydrophobicContact CG2-CG2 3.81Å; I83-V108 CarbonylContact O-C 3.56Å; I83-V108 WeakPolarHBondContact O-CA 3.36Å; I92-V108 HydrophobicContact CD1-CG1 4.48Å; I92-V108 HydrophobicContact CG2-CG2 4.36Å; L106-V108 HydrophobicContact CD2-CG2 4.35Å; V108-L123 HydrophobicContact CB-CD1 4.15Å; V108-L123 HydrophobicContact CG1-CD1 3.53Å; V108-L123 HydrophobicContact CG1-CD2 3.9Å; V108-L123 HydrophobicContact CG1-CG 4.32Å; V108-L123 HydrophobicContact CG2-CD2 4.28Å; V108-A128 HydrophobicContact CG2-CB 3.7Å; V108-Y130 PolarHBondContact N-O 3.06Å; V108-A132 PolarHBondContact O-N 2.88Å
109	D	98.8	Very high	98.2	Very high	6 Å²	6	57.9 Å²	57.9	3%	0.032	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	112.8	179	-175.8	-9.1	0	0	0	110.2	K61 I83 L84 G85 L107 I111 H134	K61-D109 IonicContact NZ-OD2 2.88Å; I83-D109 PolarHBondContact O-N 3.06Å; L84-D109 HydrophobicContact CD2-CB 4.45Å; G85-D109 PolarHBondContact N-O 2.83Å; L107-D109 HydrophobicContact CD2-CB 4.33Å; D109-I111 PolarHBondContact O-N 2.77Å; D109-I111 VanDerWaalsContact OD1-CB 3.32Å; D109-I111 WeakPolarHBondContact OD1-CB 3.37Å; D109-I111 WeakPolarHBondContact OD1-CG2 3.47Å; D109-I111 PolarHBondContact OD1-N 2.77Å; D109-H134 WeakPolarHBondContact OD1-CB 3.38Å; D109-H134 IonicContact OD1-CG 2.84Å; D109-H134 IonicContact OD1-ND1 2.57Å; D109-H134 PolarHBondContact OD1-ND1 2.62Å; D109-H134 IonicContact OD2-CE1 2.77Å; D109-H134 IonicContact OD2-CG 3.37Å; D109-H134 IonicContact OD2-ND1 2.69Å; D109-H134 PolarHBondContact OD2-ND1 2.73Å
110	M	98.4	Very high	98.2	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.015	29%	0.289	C	S	.	.			trans	-80.9	12	-177.7	-58.6	-71.6	-77.3	0	0	113.4	A112 V113 L116 R119 A120 L123 I131 A132	M110-A112 PolarHBondContact O-N 3.16Å; M110-V113 HydrophobicContact CB-CB 4.48Å; M110-V113 HydrophobicContact CB-CG2 4.24Å; M110-V113 HydrophobicContact CE-CB 4.25Å; M110-V113 HydrophobicContact CE-CG1 3.89Å; M110-V113 HydrophobicContact CE-CG2 4.24Å; M110-V113 WeakPolarHBondContact O-CB 3.28Å; M110-V113 WeakPolarHBondContact O-CG2 3.5Å; M110-V113 PolarHBondContact O-N 2.86Å; M110-V113 VanDerWaalsContact O-N 3.11Å; M110-V113 HydrophobicContact SD-CG2 4.11Å; M110-L116 HydrophobicContact CB-CD2 4.12Å; M110-L116 HydrophobicContact CE-CD2 3.99Å; M110-R119 HydrophobicContact CE-CB 3.86Å; M110-R119 HydrophobicContact CE-CG 3.92Å; M110-R119 HydrophobicContact SD-CG 4.25Å; M110-A120 HydrophobicContact CE-CB 4.27Å; M110-L123 HydrophobicContact CE-CD1 4.2Å; M110-L123 HydrophobicContact SD-CD1 3.28Å; M110-L123 WeakPolarHBondContact SD-CD1 3.37Å; M110-I131 HydrophobicContact CG-CG2 3.72Å; M110-I131 HydrophobicContact SD-CG2 4Å; M110-A132 WeakPolarHBondContact CB-O 3.45Å; M110-A132 VanDerWaalsContact CG-O 3.23Å; M110-A132 WeakPolarHBondContact CG-O 3.32Å; M110-A132 PolarHBondContact N-O 3.36Å
111	I	96.9	Very high	98.1	Very high	42 Å²	42	58.4 Å²	58.4	22%	0.215	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	133.2	174.1	-167.8	168.4	0	0	0	111	L84 D109 V113 H134	L84-I111 HydrophobicContact CD2-CG2 3.43Å; L84-I111 VanDerWaalsContact CD2-CG2 3.43Å; D109-I111 PolarHBondContact O-N 2.77Å; D109-I111 VanDerWaalsContact OD1-CB 3.32Å; D109-I111 WeakPolarHBondContact OD1-CB 3.37Å; D109-I111 WeakPolarHBondContact OD1-CG2 3.47Å; D109-I111 PolarHBondContact OD1-N 2.77Å; I111-V113 PolarHBondContact O-N 2.84Å; I111-H134 HydrophobicContact CB-CB 4.11Å
112	A	95.6	Very high	98.2	Very high	71 Å²	71	54 Å²	54	59%	0.587	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	7.7	-179.3	0	0	0	0	0	116.6	M110 Q114	M110-A112 PolarHBondContact O-N 3.16Å; A112-Q114 PolarHBondContact O-N 2.95Å; A112-Q114 PolarHBondContact O-NE2 2.79Å
113	V	97.7	Very high	98.2	Very high	20 Å²	20	51.1 Å²	51.1	12%	0.121	26%	0.257	C	S	.	.			trans	-66.3	125.5	171.4	173	0	0	0	0	109.7	V86 M110 I111 L116 R119	V86-V113 HydrophobicContact CG1-CG2 3.72Å; M110-V113 HydrophobicContact CB-CB 4.48Å; M110-V113 HydrophobicContact CB-CG2 4.24Å; M110-V113 HydrophobicContact CE-CB 4.25Å; M110-V113 HydrophobicContact CE-CG1 3.89Å; M110-V113 HydrophobicContact CE-CG2 4.24Å; M110-V113 WeakPolarHBondContact O-CB 3.28Å; M110-V113 WeakPolarHBondContact O-CG2 3.5Å; M110-V113 PolarHBondContact O-N 2.86Å; M110-V113 VanDerWaalsContact O-N 3.11Å; M110-V113 HydrophobicContact SD-CG2 4.11Å; I111-V113 PolarHBondContact O-N 2.84Å; V113-L116 HydrophobicContact CB-CD2 4.02Å; V113-L116 HydrophobicContact CG1-CD2 4.1Å; V113-R119 HydrophobicContact CG1-CB 3.64Å; V113-R119 HydrophobicContact CG1-CG 3.9Å; V113-R119 HydrophobicContact CG2-CG 4.38Å
114	Q	95.2	Very high	98.2	Very high	181 Å²	181	44.3 Å²	44.3	85%	0.846	22%	0.221	S	C	*	.	S	Bend	trans	-79.9	-44	-174.4	-57.5	-60.9	-63.6	0	0	113	A112	A112-Q114 PolarHBondContact O-N 2.95Å; A112-Q114 PolarHBondContact O-NE2 2.79Å
115	D	97.7	Very high	98.1	Very high	87 Å²	87	49.5 Å²	49.5	47%	0.465	25%	0.246	S	C	.	.			trans	-108.3	86.9	177.4	-173.7	-17.7	0	0	0	109.5	E117 K118 R119	D115-E117 PolarHBondContact OD1-N 3.38Å; D115-K118 HydrophobicContact CB-CB 4.2Å; D115-K118 VanDerWaalsContact OD1-CB 3.29Å; D115-K118 WeakPolarHBondContact OD1-CB 3.42Å; D115-K118 PolarHBondContact OD1-N 3.12Å; D115-K118 VanDerWaalsContact OD2-CB 3.28Å; D115-K118 WeakPolarHBondContact OD2-CB 3.06Å; D115-R119 VanDerWaalsContact O-CB 3.32Å; D115-R119 WeakPolarHBondContact O-CB 3.18Å; D115-R119 PolarHBondContact O-N 2.86Å
116	L	97.9	Very high	98.1	Very high	31 Å²	31	49.1 Å²	49.1	16%	0.162	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-42.7	-176.2	-70.1	175.6	0	0	0	112.3	M110 V113 A120 T152 V153	M110-L116 HydrophobicContact CB-CD2 4.12Å; M110-L116 HydrophobicContact CE-CD2 3.99Å; V113-L116 HydrophobicContact CB-CD2 4.02Å; V113-L116 HydrophobicContact CG1-CD2 4.1Å; L116-A120 WeakPolarHBondContact O-CB 3.39Å; L116-A120 PolarHBondContact O-N 3.26Å; L116-T152 HydrophobicContact CB-CG2 4.13Å; L116-V153 HydrophobicContact CB-CG2 4.24Å
117	E	98.1	Very high	98.1	Very high	90 Å²	90	50.8 Å²	50.8	42%	0.421	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-47.6	-177.7	-72.1	-169.2	-161.1	0	0	111.7	D115 K121 T152 V156	D115-E117 PolarHBondContact OD1-N 3.38Å; E117-K121 WeakPolarHBondContact O-CG 3.32Å; E117-K121 PolarHBondContact O-N 3.08Å; E117-T152 HydrophobicContact CG-CG2 3.41Å; E117-T152 VanDerWaalsContact CG-CG2 3.41Å; E117-V156 HydrophobicContact CB-CG1 4.25Å; E117-V156 HydrophobicContact CG-CG1 4.17Å
118	K	98.6	Very high	98.1	Very high	118 Å²	118	50.7 Å²	50.7	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-63.8	-51.2	179.9	-179.9	-176.9	167.4	-172.3	0	110.3	D115 A120 K121 E122	D115-K118 HydrophobicContact CB-CB 4.2Å; D115-K118 VanDerWaalsContact OD1-CB 3.29Å; D115-K118 WeakPolarHBondContact OD1-CB 3.42Å; D115-K118 PolarHBondContact OD1-N 3.12Å; D115-K118 VanDerWaalsContact OD2-CB 3.28Å; D115-K118 WeakPolarHBondContact OD2-CB 3.06Å; K118-A120 PolarHBondContact O-N 3.1Å; K118-K121 PolarHBondContact O-N 3.07Å; K118-E122 WeakPolarHBondContact CE-OE1 3.47Å; K118-E122 IonicContact NZ-OE1 3.92Å; K118-E122 WeakPolarHBondContact O-CG 3.33Å; K118-E122 PolarHBondContact O-N 3.49Å; K118-E122 VanDerWaalsContact O-N 3.13Å
119	R	98.8	Very high	98.1	Very high	25 Å²	25	52.4 Å²	52.4	9%	0.094	27%	0.27	C	S	.	.	H	α-helix	trans	-67.3	-38.1	-174.4	-171.9	54.1	168.4	174.5	-2.5	111.8	G85 A87 D89 I92 M110 V113 D115 K121 E122 L123	G85-R119 PolarHBondContact O-NE 3.38Å; G85-R119 PolarHBondContact O-NH2 2.76Å; A87-R119 PolarHBondContact O-NH2 3.29Å; D89-R119 IonicContact OD1-CZ 3.08Å; D89-R119 VanDerWaalsContact OD1-CZ 3.27Å; D89-R119 IonicContact OD1-NH1 2.75Å; D89-R119 PolarHBondContact OD1-NH1 3.08Å; D89-R119 IonicContact OD1-NH2 3.2Å; D89-R119 PolarHBondContact OD1-NH2 3.24Å; I92-R119 VanDerWaalsContact CD1-NH2 3.27Å; M110-R119 HydrophobicContact CE-CB 3.86Å; M110-R119 HydrophobicContact CE-CG 3.92Å; M110-R119 HydrophobicContact SD-CG 4.25Å; V113-R119 HydrophobicContact CG1-CB 3.64Å; V113-R119 HydrophobicContact CG1-CG 3.9Å; V113-R119 HydrophobicContact CG2-CG 4.38Å; D115-R119 VanDerWaalsContact O-CB 3.32Å; D115-R119 WeakPolarHBondContact O-CB 3.18Å; D115-R119 PolarHBondContact O-N 2.86Å; R119-K121 VanDerWaalsContact C-N 3.34Å; R119-K121 PolarHBondContact O-N 3.1Å; R119-E122 VanDerWaalsContact CD-OE2 3.27Å; R119-E122 WeakPolarHBondContact CD-OE2 3.27Å; R119-E122 IonicContact CZ-OE2 3.26Å; R119-E122 IonicContact NH1-OE2 3.92Å; R119-E122 PolarHBondContact NH1-OE2 2.93Å; R119-E122 PolarHBondContact O-N 2.88Å; R119-L123 HydrophobicContact CG-CD1 3.96Å; R119-L123 HydrophobicContact CG-CG 4.32Å; R119-L123 WeakPolarHBondContact O-CG 3.33Å; R119-L123 PolarHBondContact O-N 3.15Å
120	A	98.7	Very high	98.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.2	-42.5	174.6	0	0	0	0	0	112.5	M110 L116 K118 L123 D124 V153 V156 I157	M110-A120 HydrophobicContact CE-CB 4.27Å; L116-A120 WeakPolarHBondContact O-CB 3.39Å; L116-A120 PolarHBondContact O-N 3.26Å; K118-A120 PolarHBondContact O-N 3.1Å; A120-L123 PolarHBondContact O-N 3.47Å; A120-D124 WeakPolarHBondContact O-CB 3.48Å; A120-D124 PolarHBondContact O-N 2.97Å; A120-V153 HydrophobicContact CB-CB 4.47Å; A120-V153 HydrophobicContact CB-CG1 4.03Å; A120-V153 HydrophobicContact CB-CG2 4.13Å; A120-V156 HydrophobicContact CB-CG2 3.74Å; A120-I157 HydrophobicContact CB-CD1 3.84Å; A120-I157 HydrophobicContact CB-CG1 4.4Å; A120-I157 VanDerWaalsContact O-CD1 3.32Å; A120-I157 WeakPolarHBondContact O-CD1 3.43Å
121	K	98.5	Very high	98.1	Very high	90 Å²	90	52 Å²	52	39%	0.391	27%	0.268	S	S	.	.	H	α-helix	trans	-62.2	-46.1	175.7	-70.9	168.3	-173.6	160.7	0	112	E117 K118 R119 L123 D124 E125 V156	E117-K121 WeakPolarHBondContact O-CG 3.32Å; E117-K121 PolarHBondContact O-N 3.08Å; K118-K121 PolarHBondContact O-N 3.07Å; R119-K121 VanDerWaalsContact C-N 3.34Å; R119-K121 PolarHBondContact O-N 3.1Å; K121-L123 VanDerWaalsContact C-N 3.32Å; K121-L123 PolarHBondContact O-N 2.93Å; K121-D124 PolarHBondContact O-N 2.96Å; K121-E125 WeakPolarHBondContact O-CG 3.19Å; K121-E125 PolarHBondContact O-N 2.89Å; K121-V156 HydrophobicContact CD-CB 4.35Å; K121-V156 HydrophobicContact CG-CB 3.86Å; K121-V156 HydrophobicContact CG-CG2 4.16Å
122	E	98.7	Very high	98.2	Very high	56 Å²	56	50 Å²	50	26%	0.262	26%	0.259	S	S	.	.	H	α-helix	trans	-59.3	-44.4	178.5	-69.6	169.9	170.6	0	0	111.3	K118 R119 E125 M126	K118-E122 WeakPolarHBondContact CE-OE1 3.47Å; K118-E122 IonicContact NZ-OE1 3.92Å; K118-E122 WeakPolarHBondContact O-CG 3.33Å; K118-E122 PolarHBondContact O-N 3.49Å; K118-E122 VanDerWaalsContact O-N 3.13Å; R119-E122 VanDerWaalsContact CD-OE2 3.27Å; R119-E122 WeakPolarHBondContact CD-OE2 3.27Å; R119-E122 IonicContact CZ-OE2 3.26Å; R119-E122 IonicContact NH1-OE2 3.92Å; R119-E122 PolarHBondContact NH1-OE2 2.93Å; R119-E122 PolarHBondContact O-N 2.88Å; E122-E125 PolarHBondContact O-N 2.9Å; E122-M126 HydrophobicContact CB-CE 4.2Å; E122-M126 VanDerWaalsContact O-CG 3.24Å; E122-M126 WeakPolarHBondContact O-CG 3.35Å; E122-M126 PolarHBondContact O-N 2.66Å
123	L	98.8	Very high	98.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69	-37.5	179.7	-64.8	170	0	0	0	112.9	I92 V108 M110 R119 A120 K121 E125 M126 G127 A128 I131	I92-L123 HydrophobicContact CD1-CD2 3.53Å; I92-L123 HydrophobicContact CG2-CD2 3.83Å; V108-L123 HydrophobicContact CB-CD1 4.15Å; V108-L123 HydrophobicContact CG1-CD1 3.53Å; V108-L123 HydrophobicContact CG1-CD2 3.9Å; V108-L123 HydrophobicContact CG1-CG 4.32Å; V108-L123 HydrophobicContact CG2-CD2 4.28Å; M110-L123 HydrophobicContact CE-CD1 4.2Å; M110-L123 HydrophobicContact SD-CD1 3.28Å; M110-L123 WeakPolarHBondContact SD-CD1 3.37Å; R119-L123 HydrophobicContact CG-CD1 3.96Å; R119-L123 HydrophobicContact CG-CG 4.32Å; R119-L123 WeakPolarHBondContact O-CG 3.33Å; R119-L123 PolarHBondContact O-N 3.15Å; A120-L123 PolarHBondContact O-N 3.47Å; K121-L123 VanDerWaalsContact C-N 3.32Å; K121-L123 PolarHBondContact O-N 2.93Å; L123-E125 VanDerWaalsContact C-N 3.33Å; L123-M126 HydrophobicContact CD2-SD 4.44Å; L123-M126 PolarHBondContact O-N 2.95Å; L123-G127 PolarHBondContact O-N 3Å; L123-A128 PolarHBondContact O-N 3.27Å; L123-I131 HydrophobicContact CB-CD1 3.59Å; L123-I131 HydrophobicContact CB-CG1 4.08Å
124	D	98.6	Very high	98.3	Very high	9 Å²	9	47.7 Å²	47.7	5%	0.048	23%	0.234	C	C	.	.	H	α-helix	trans	-62.7	-41.7	174.3	-170	40.5	0	0	0	110.9	A120 K121 M126 G127 I131 I157 K158 N159 S160	A120-D124 WeakPolarHBondContact O-CB 3.48Å; A120-D124 PolarHBondContact O-N 2.97Å; K121-D124 PolarHBondContact O-N 2.96Å; D124-M126 VanDerWaalsContact C-N 3.34Å; D124-G127 PolarHBondContact O-N 3.3Å; D124-I131 HydrophobicContact CB-CD1 4.28Å; D124-I157 HydrophobicContact CB-CD1 3.74Å; D124-K158 WeakPolarHBondContact OD2-CB 3.36Å; D124-K158 PolarHBondContact OD2-N 3.01Å; D124-N159 WeakPolarHBondContact OD1-CA 3.45Å; D124-N159 WeakPolarHBondContact OD1-CB 3.45Å; D124-N159 PolarHBondContact OD1-N 2.92Å; D124-N159 PolarHBondContact OD2-N 2.9Å; D124-N159 PolarHBondContact OD2-ND2 3.08Å; D124-S160 PolarHBondContact OD1-N 3.2Å; D124-S160 PolarHBondContact OD1-OG 3.26Å
125	E	98.5	Very high	98.3	Very high	161 Å²	161	39.5 Å²	39.5	75%	0.752	20%	0.197	S	C	*	.	H	α-helix	trans	-68.9	-30.6	175.3	-72.1	176	-175.1	0	0	113	K121 E122 L123 G127	K121-E125 WeakPolarHBondContact O-CG 3.19Å; K121-E125 PolarHBondContact O-N 2.89Å; E122-E125 PolarHBondContact O-N 2.9Å; L123-E125 VanDerWaalsContact C-N 3.33Å; E125-G127 PolarHBondContact O-N 3.35Å
126	M	98.6	Very high	97.8	Very high	37 Å²	37	35.8 Å²	35.8	18%	0.182	18%	0.179	C	C	.	.	H	α-helix	trans	-72.8	-15.6	173.4	-71	176.1	-156.1	0	0	113.2	D89 I92 K93 I96 E122 L123 D124	D89-M126 HydrophobicContact CB-CE 3.95Å; D89-M126 WeakPolarHBondContact OD2-CE 3.36Å; I92-M126 HydrophobicContact CB-SD 4.45Å; I92-M126 HydrophobicContact CG2-SD 4.15Å; K93-M126 HydrophobicContact CG-CG 4.21Å; K93-M126 HydrophobicContact CG-SD 4.12Å; I96-M126 HydrophobicContact CD1-CB 3.89Å; I96-M126 WeakPolarHBondContact CD1-O 3.26Å; E122-M126 HydrophobicContact CB-CE 4.2Å; E122-M126 VanDerWaalsContact O-CG 3.24Å; E122-M126 WeakPolarHBondContact O-CG 3.35Å; E122-M126 PolarHBondContact O-N 2.66Å; L123-M126 HydrophobicContact CD2-SD 4.44Å; L123-M126 PolarHBondContact O-N 2.95Å; D124-M126 VanDerWaalsContact C-N 3.34Å
127	G	98.2	Very high	97.2	Very high	34 Å²	34	39.8 Å²	39.8	35%	0.351	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	31	178	0	0	0	0	0	114.5	H100 L123 D124 E125	H100-G127 PolarHBondContact CE1-O 3.03Å; L123-G127 PolarHBondContact O-N 3Å; D124-G127 PolarHBondContact O-N 3.3Å; E125-G127 PolarHBondContact O-N 3.35Å
128	A	98.5	Very high	96.6	Very high	4 Å²	4	42 Å²	42	3%	0.033	21%	0.207	C	C	.	.			trans	-57.9	140	170.4	0	0	0	0	0	111	I96 V108 L123 I131 S160	I96-A128 HydrophobicContact CD1-CB 4.25Å; V108-A128 HydrophobicContact CG2-CB 3.7Å; L123-A128 PolarHBondContact O-N 3.27Å; A128-I131 HydrophobicContact CB-CD1 4.47Å; A128-I131 HydrophobicContact CB-CG1 4.1Å; A128-S160 VanDerWaalsContact O-CB 3.29Å; A128-S160 WeakPolarHBondContact O-CB 3.15Å; A128-S160 PolarHBondContact O-OG 2.8Å
129	D	98.8	Very high	96	Very high	35 Å²	35	39.8 Å²	39.8	19%	0.187	20%	0.201	C	C	.	.	S	Bend	trans	-71.8	-47.4	178.2	-62.3	-99.3	0	0	0	111.6	H100 Q105 L106 K161	H100-D129 IonicContact CD2-OD2 3.91Å; H100-D129 IonicContact CE1-OD2 2.83Å; H100-D129 IonicContact NE2-OD1 2.89Å; H100-D129 IonicContact NE2-OD2 3.66Å; H100-D129 PolarHBondContact NE2-OD2 3.19Å; Q105-D129 WeakPolarHBondContact CA-OD2 3.25Å; Q105-D129 HydrophobicContact CB-CB 3.91Å; Q105-D129 PolarHBondContact NE2-OD1 2.76Å; L106-D129 PolarHBondContact N-OD2 2.91Å; L106-D129 WeakPolarHBondContact O-CB 3.2Å; L106-D129 PolarHBondContact O-N 2.57Å; D129-K161 WeakPolarHBondContact O-CB 3.49Å; D129-K161 PolarHBondContact O-N 2.69Å
130	Y	98.9	Very high	95.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.1	178.2	-63	-94.2	0	0	0	110.4	E2 K55 Q105 L106 L107 V108 K161 L183	E2-Y130 PolarHBondContact OE2-OH 2.92Å; K55-Y130 PolarHBondContact NZ-OH 2.92Å; Q105-Y130 HydrophobicContact CB-CE2 4.27Å; L106-Y130 PolarHBondContact O-N 3.22Å; L106-Y130 VanDerWaalsContact O-N 3.09Å; L107-Y130 WeakPolarHBondContact CA-O 3.43Å; L107-Y130 HydrophobicContact CD1-CG 4.45Å; V108-Y130 PolarHBondContact N-O 3.06Å; Y130-K161 CarbonylContact C-O 3.57Å; Y130-K161 VanDerWaalsContact CA-O 3.32Å; Y130-K161 WeakPolarHBondContact CA-O 3.34Å; Y130-K161 HydrophobicContact CD1-CB 3.56Å; Y130-K161 HydrophobicContact CD1-CD 3.92Å; Y130-K161 HydrophobicContact CD1-CG 4.43Å; Y130-K161 HydrophobicContact CE1-CB 3.82Å; Y130-K161 HydrophobicContact CE1-CD 3.31Å; Y130-K161 HydrophobicContact CE1-CG 4.25Å; Y130-K161 HydrophobicContact CE2-CD 4.35Å; Y130-K161 HydrophobicContact CG-CB 4.25Å; Y130-K161 PolarHBondContact OH-NZ 3.24Å; Y130-L183 HydrophobicContact CD1-CB 4.25Å; Y130-L183 HydrophobicContact CD1-CD2 3.85Å; Y130-L183 HydrophobicContact CE1-CB 4.1Å; Y130-L183 HydrophobicContact CE1-CD2 3.84Å
131	I	98.8	Very high	94.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	112.5	168.7	-65.8	167.9	0	0	0	106.9	M110 L123 D124 A128 V153 I157 K161 A163	M110-I131 HydrophobicContact CG-CG2 3.72Å; M110-I131 HydrophobicContact SD-CG2 4Å; L123-I131 HydrophobicContact CB-CD1 3.59Å; L123-I131 HydrophobicContact CB-CG1 4.08Å; D124-I131 HydrophobicContact CB-CD1 4.28Å; A128-I131 HydrophobicContact CB-CD1 4.47Å; A128-I131 HydrophobicContact CB-CG1 4.1Å; I131-V153 HydrophobicContact CG2-CG1 4.05Å; I131-I157 HydrophobicContact CD1-CD1 3.4Å; I131-I157 VanDerWaalsContact CD1-CD1 3.4Å; I131-K161 PolarHBondContact N-O 2.81Å; I131-A163 PolarHBondContact O-N 3.14Å
132	A	98.7	Very high	94.2	Very high	2 Å²	2	47.7 Å²	47.7	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120.5	-172.5	0	0	0	0	0	111.2	L107 V108 M110 A163	L107-A132 HydrophobicContact CD1-CB 4.23Å; L107-A132 HydrophobicContact CD2-CB 3.58Å; L107-A132 HydrophobicContact CG-CB 4.03Å; V108-A132 PolarHBondContact O-N 2.88Å; M110-A132 WeakPolarHBondContact CB-O 3.45Å; M110-A132 VanDerWaalsContact CG-O 3.23Å; M110-A132 WeakPolarHBondContact CG-O 3.32Å; M110-A132 PolarHBondContact N-O 3.36Å; A132-A163 WeakPolarHBondContact CA-O 3.5Å; A132-A163 HydrophobicContact CB-CB 3.73Å
133	V	98.3	Very high	93.5	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	134.4	163.8	-63.8	0	0	0	0	109.3	P146 L150 V153 A163 V164 A165	V133-P146 HydrophobicContact CG2-CB 4.43Å; V133-L150 HydrophobicContact CG2-CB 3.91Å; V133-L150 HydrophobicContact CG2-CD1 4.32Å; V133-V153 HydrophobicContact CG1-CB 3.83Å; V133-V153 HydrophobicContact CG1-CG1 4.41Å; V133-V153 HydrophobicContact CG1-CG2 3.38Å; V133-A163 PolarHBondContact N-O 2.76Å; V133-V164 HydrophobicContact CG2-CB 3.96Å; V133-V164 HydrophobicContact CG2-CG2 3.83Å; V133-V164 WeakPolarHBondContact O-CA 3.41Å; V133-A165 PolarHBondContact O-N 3.04Å
134	H	97.7	Very high	92.9	Very high	41 Å²	41	52.4 Å²	52.4	19%	0.19	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	112.4	-172.6	-174.1	-178.6	0	0	0	111.1	D109 I111 A165	D109-H134 WeakPolarHBondContact OD1-CB 3.38Å; D109-H134 IonicContact OD1-CG 2.84Å; D109-H134 IonicContact OD1-ND1 2.57Å; D109-H134 PolarHBondContact OD1-ND1 2.62Å; D109-H134 IonicContact OD2-CE1 2.77Å; D109-H134 IonicContact OD2-CG 3.37Å; D109-H134 IonicContact OD2-ND1 2.69Å; D109-H134 PolarHBondContact OD2-ND1 2.73Å; I111-H134 HydrophobicContact CB-CB 4.11Å; H134-A165 WeakPolarHBondContact CA-O 3.48Å; H134-A165 HydrophobicContact CB-CB 4.34Å
135	T	93.9	Very high	92.5	Very high	9 Å²	9	55.4 Å²	55.4	6%	0.055	32%	0.317	C	S	.	.			trans	-85.1	110.8	166.2	-56.5	0	0	0	0	108.6	L139 Q140 Q144 P146 A165 G166	T135-L139 HydrophobicContact CG2-CB 3.78Å; T135-Q140 HydrophobicContact CG2-CG 3.97Å; T135-Q140 PolarHBondContact O-NE2 3.4Å; T135-Q144 HydrophobicContact CG2-CB 3.84Å; T135-P146 WeakPolarHBondContact OG1-CA 3.43Å; T135-A165 PolarHBondContact N-O 3.3Å; T135-A165 VanDerWaalsContact N-O 3.16Å; T135-G166 WeakPolarHBondContact O-CA 3.31Å
136	G	88.5	Confident	92.2	Very high	9 Å²	9	47.9 Å²	47.9	9%	0.093	28%	0.282	C	S	.	.			trans	-63.8	160.2	-178.6	0	0	0	0	0	113.7	D138 L139 Q140	G136-D138 VanDerWaalsContact C-N 3.27Å; G136-D138 PolarHBondContact O-N 2.87Å; G136-L139 PolarHBondContact O-N 2.97Å; G136-L139 VanDerWaalsContact O-N 3.09Å; G136-Q140 WeakPolarHBondContact O-CG 3.28Å; G136-Q140 PolarHBondContact O-N 3.12Å
137	Y	84.5	Confident	91.9	Very high	115 Å²	115	47.7 Å²	47.7	45%	0.451	28%	0.282	S	S	.	.	H	α-helix	trans	-51.1	-41.6	-177.1	-90.6	-82.4	0	0	0	113.9	D8 L139 Q140 A141	D8-Y137 PolarHBondContact OD2-OH 3.45Å; Y137-L139 PolarHBondContact O-N 3.29Å; Y137-Q140 WeakPolarHBondContact O-CB 3.27Å; Y137-Q140 PolarHBondContact O-N 2.77Å; Y137-A141 PolarHBondContact O-N 3Å; Y137-A141 VanDerWaalsContact O-N 3.16Å
138	D	85	Confident	91.8	Very high	136 Å²	136	53.3 Å²	53.3	73%	0.727	30%	0.299	S	S	*	.	H	α-helix	trans	-63.6	-42.8	-179.2	-53.6	-61.9	0	0	0	111.7	G136 A141	G136-D138 VanDerWaalsContact C-N 3.27Å; G136-D138 PolarHBondContact O-N 2.87Å; D138-A141 WeakPolarHBondContact O-CB 3.37Å; D138-A141 PolarHBondContact O-N 3.04Å
139	L	87.3	Confident	91.7	Very high	72 Å²	72	54.8 Å²	54.8	38%	0.377	31%	0.309	S	S	.	.	H	α-helix	trans	-73.9	-30.6	179.3	-58.2	-177.3	0	0	0	112.1	T135 G136 Y137 A141 E142 G143 Q144	T135-L139 HydrophobicContact CG2-CB 3.78Å; G136-L139 PolarHBondContact O-N 2.97Å; G136-L139 VanDerWaalsContact O-N 3.09Å; Y137-L139 PolarHBondContact O-N 3.29Å; L139-A141 VanDerWaalsContact C-N 3.3Å; L139-A141 PolarHBondContact O-N 2.69Å; L139-E142 WeakPolarHBondContact O-CB 3.36Å; L139-E142 PolarHBondContact O-N 2.97Å; L139-G143 PolarHBondContact O-N 3.27Å; L139-Q144 HydrophobicContact CB-CB 4.18Å; L139-Q144 HydrophobicContact CB-CG 4.26Å; L139-Q144 VanDerWaalsContact O-CB 3.31Å; L139-Q144 WeakPolarHBondContact O-CB 3.43Å; L139-Q144 WeakPolarHBondContact O-CG 3.45Å; L139-Q144 PolarHBondContact O-N 2.96Å; L139-Q144 VanDerWaalsContact O-N 3.07Å
140	Q	87	Confident	91.7	Very high	46 Å²	46	53.1 Å²	53.1	22%	0.215	30%	0.3	C	S	.	.	H	α-helix	trans	-63.1	-37.9	172.6	-66.4	169.5	41	0	0	111.5	T135 G136 Y137 E142 G143 G167	T135-Q140 HydrophobicContact CG2-CG 3.97Å; T135-Q140 PolarHBondContact O-NE2 3.4Å; G136-Q140 WeakPolarHBondContact O-CG 3.28Å; G136-Q140 PolarHBondContact O-N 3.12Å; Y137-Q140 WeakPolarHBondContact O-CB 3.27Å; Y137-Q140 PolarHBondContact O-N 2.77Å; Q140-E142 PolarHBondContact O-N 3.1Å; Q140-G143 WeakPolarHBondContact O-CA 3.41Å; Q140-G143 PolarHBondContact O-N 2.93Å; Q140-G167 VanDerWaalsContact OE1-CA 3.28Å
141	A	82.8	Confident	91.6	Very high	94 Å²	94	59 Å²	59	78%	0.777	32%	0.322	S	S	*	.	H	α-helix	trans	-64.1	-24.6	176.2	0	0	0	0	0	112.6	Y137 D138 L139 G143	Y137-A141 PolarHBondContact O-N 3Å; Y137-A141 VanDerWaalsContact O-N 3.16Å; D138-A141 WeakPolarHBondContact O-CB 3.37Å; D138-A141 PolarHBondContact O-N 3.04Å; L139-A141 VanDerWaalsContact C-N 3.3Å; L139-A141 PolarHBondContact O-N 2.69Å; A141-G143 VanDerWaalsContact C-N 3.29Å
142	E	87.9	Confident	91.5	Very high	140 Å²	140	60.7 Å²	60.7	65%	0.654	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	0.8	172.3	-60.1	179.8	179.1	0	0	113.4	L139 Q140 Q144	L139-E142 WeakPolarHBondContact O-CB 3.36Å; L139-E142 PolarHBondContact O-N 2.97Å; Q140-E142 PolarHBondContact O-N 3.1Å; E142-Q144 PolarHBondContact OE2-NE2 2.77Å
143	G	84	Confident	91.5	Very high	66 Å²	66	60.6 Å²	60.6	68%	0.68	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	13.4	179.2	0	0	0	0	0	114.6	L139 Q140 A141	L139-G143 PolarHBondContact O-N 3.27Å; Q140-G143 WeakPolarHBondContact O-CA 3.41Å; Q140-G143 PolarHBondContact O-N 2.93Å; A141-G143 VanDerWaalsContact C-N 3.29Å
144	Q	87.3	Confident	91.5	Very high	90 Å²	90	64 Å²	64	42%	0.421	35%	0.347	S	S	.	.			trans	-71.6	145.8	175.7	-58.3	-169.5	25.2	0	0	111.4	T135 L139 E142	T135-Q144 HydrophobicContact CG2-CB 3.84Å; L139-Q144 HydrophobicContact CB-CB 4.18Å; L139-Q144 HydrophobicContact CB-CG 4.26Å; L139-Q144 VanDerWaalsContact O-CB 3.31Å; L139-Q144 WeakPolarHBondContact O-CB 3.43Å; L139-Q144 WeakPolarHBondContact O-CG 3.45Å; L139-Q144 PolarHBondContact O-N 2.96Å; L139-Q144 VanDerWaalsContact O-N 3.07Å; E142-Q144 PolarHBondContact OE2-NE2 2.77Å
145	S	88.4	Confident	91.5	Very high	71 Å²	71	66.1 Å²	66.1	50%	0.497	37%	0.367	S	S	.	.			trans	-123.6	144.6	-178	170.3	0	0	0	0	110.5	L147	S145-L147 PolarHBondContact O-N 3.37Å; S145-L147 PolarHBondContact OG-N 3.03Å
146	P	92.8	Very high	91.7	Very high	3 Å²	3	66.4 Å²	66.4	2%	0.019	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-0.8	179	33.3	-37.8	0	0	0	113.4	V133 T135 E148 S149 L150 V164 A165 G166 I176	V133-P146 HydrophobicContact CG2-CB 4.43Å; T135-P146 WeakPolarHBondContact OG1-CA 3.43Å; P146-E148 PolarHBondContact O-N 2.81Å; P146-S149 PolarHBondContact O-N 3.42Å; P146-L150 WeakPolarHBondContact O-CB 3.3Å; P146-L150 PolarHBondContact O-N 3.32Å; P146-V164 HydrophobicContact CB-CG2 3.8Å; P146-V164 HydrophobicContact CG-CG2 3.72Å; P146-A165 WeakPolarHBondContact CB-O 3.3Å; P146-G166 VanDerWaalsContact CD-O 3.26Å; P146-G166 WeakPolarHBondContact CD-O 3.47Å; P146-G166 WeakPolarHBondContact CG-O 3.33Å; P146-I176 HydrophobicContact CG-CD1 4.1Å
147	L	93.5	Very high	92.1	Very high	33 Å²	33	67.2 Å²	67.2	17%	0.173	37%	0.37	C	S	.	.	H	α-helix	trans	-61.3	-43.1	-171.1	-173.1	68.9	0	0	0	113.7	S145 L150 R151 I176 E179	S145-L147 PolarHBondContact O-N 3.37Å; S145-L147 PolarHBondContact OG-N 3.03Å; L147-L150 PolarHBondContact O-N 2.95Å; L147-R151 WeakPolarHBondContact O-CG 3.31Å; L147-R151 PolarHBondContact O-N 3.49Å; L147-R151 VanDerWaalsContact O-N 3.14Å; L147-I176 HydrophobicContact CB-CD1 4.36Å; L147-I176 HydrophobicContact CD1-CD1 4.05Å; L147-E179 HydrophobicContact CD1-CG 3.46Å; L147-E179 VanDerWaalsContact CD1-CG 3.46Å
148	E	94.6	Very high	92.7	Very high	152 Å²	152	70.1 Å²	70.1	71%	0.71	39%	0.385	S	S	*	.	H	α-helix	trans	-68.4	-46.2	177.9	-174.9	172.4	-174.2	0	0	111	P146 L150 R151 T152	P146-E148 PolarHBondContact O-N 2.81Å; E148-L150 VanDerWaalsContact C-N 3.26Å; E148-L150 PolarHBondContact O-N 3.38Å; E148-R151 PolarHBondContact O-N 2.83Å; E148-R151 VanDerWaalsContact O-N 3.15Å; E148-T152 PolarHBondContact O-N 2.96Å; E148-T152 PolarHBondContact O-OG1 2.89Å; E148-T152 VanDerWaalsContact O-OG1 3.06Å
149	S	97	Very high	93.3	Very high	35 Å²	35	69.9 Å²	69.9	25%	0.245	38%	0.384	C	S	.	.	H	α-helix	trans	-55.9	-42	174.3	-56.6	0	0	0	0	111.8	P146 T152 V153	P146-S149 PolarHBondContact O-N 3.42Å; S149-T152 PolarHBondContact O-N 3.12Å; S149-V153 PolarHBondContact O-N 3.38Å
150	L	97.9	Very high	93.8	Very high	0 Å²	0	67 Å²	67	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-59.4	-49.5	176.8	175.6	58.8	0	0	0	111.2	V133 P146 L147 E148 T152 V153 K154 V162 V164 I176 E179 P181	V133-L150 HydrophobicContact CG2-CB 3.91Å; V133-L150 HydrophobicContact CG2-CD1 4.32Å; P146-L150 WeakPolarHBondContact O-CB 3.3Å; P146-L150 PolarHBondContact O-N 3.32Å; L147-L150 PolarHBondContact O-N 2.95Å; E148-L150 VanDerWaalsContact C-N 3.26Å; E148-L150 PolarHBondContact O-N 3.38Å; L150-T152 VanDerWaalsContact C-N 3.32Å; L150-T152 PolarHBondContact O-N 3.14Å; L150-V153 PolarHBondContact O-N 3.4Å; L150-K154 HydrophobicContact CD1-CD 4.01Å; L150-K154 HydrophobicContact CD1-CG 3.88Å; L150-K154 HydrophobicContact CG-CD 4.39Å; L150-K154 HydrophobicContact CG-CG 4.47Å; L150-K154 VanDerWaalsContact O-CB 3.27Å; L150-K154 WeakPolarHBondContact O-CB 3.03Å; L150-K154 WeakPolarHBondContact O-CG 3.39Å; L150-K154 PolarHBondContact O-N 2.79Å; L150-V162 HydrophobicContact CD1-CG1 3.59Å; L150-V164 HydrophobicContact CD1-CB 4.31Å; L150-V164 HydrophobicContact CD2-CB 4.31Å; L150-V164 HydrophobicContact CD2-CG1 4.38Å; L150-V164 HydrophobicContact CD2-CG2 4.24Å; L150-I176 HydrophobicContact CD2-CG2 4.22Å; L150-E179 HydrophobicContact CD2-CB 3.66Å; L150-E179 HydrophobicContact CD2-CG 4.3Å; L150-E179 HydrophobicContact CG-CB 4.26Å; L150-P181 HydrophobicContact CD1-CB 4.15Å; L150-P181 HydrophobicContact CD2-CB 4.4Å; L150-P181 HydrophobicContact CD2-CG 4.37Å
151	R	97.6	Very high	94.4	Very high	123 Å²	123	68.1 Å²	68.1	46%	0.464	37%	0.374	S	S	.	.	H	α-helix	trans	-58.8	-45.1	177.1	-72.4	172.8	178.8	151	4.4	111.6	L147 E148 K154 S155 E179	L147-R151 WeakPolarHBondContact O-CG 3.31Å; L147-R151 PolarHBondContact O-N 3.49Å; L147-R151 VanDerWaalsContact O-N 3.14Å; E148-R151 PolarHBondContact O-N 2.83Å; E148-R151 VanDerWaalsContact O-N 3.15Å; R151-K154 PolarHBondContact O-N 3.07Å; R151-S155 WeakPolarHBondContact O-CB 3.41Å; R151-S155 PolarHBondContact O-N 3.24Å; R151-E179 HydrophobicContact CG-CG 4.3Å; R151-E179 WeakPolarHBondContact CG-OE2 3.41Å; R151-E179 IonicContact CZ-OE1 2.69Å; R151-E179 VanDerWaalsContact NE-CD 3.26Å; R151-E179 IonicContact NE-OE1 2.91Å; R151-E179 PolarHBondContact NE-OE1 3.32Å; R151-E179 IonicContact NE-OE2 3.27Å; R151-E179 IonicContact NH2-OE1 3.86Å; R151-E179 PolarHBondContact NH2-OE1 2.89Å
152	T	97.9	Very high	95.1	Very high	37 Å²	37	63.8 Å²	63.8	23%	0.227	34%	0.338	C	S	.	.	H	α-helix	trans	-58.9	-53.8	179.1	-60.5	0	0	0	0	111.3	L116 E117 E148 S149 L150 K154 S155	L116-T152 HydrophobicContact CB-CG2 4.13Å; E117-T152 HydrophobicContact CG-CG2 3.41Å; E117-T152 VanDerWaalsContact CG-CG2 3.41Å; E148-T152 PolarHBondContact O-N 2.96Å; E148-T152 PolarHBondContact O-OG1 2.89Å; E148-T152 VanDerWaalsContact O-OG1 3.06Å; S149-T152 PolarHBondContact O-N 3.12Å; L150-T152 VanDerWaalsContact C-N 3.32Å; L150-T152 PolarHBondContact O-N 3.14Å; T152-K154 PolarHBondContact O-N 3.21Å; T152-S155 PolarHBondContact O-N 3.14Å; T152-S155 PolarHBondContact O-OG 3.38Å
153	V	98.1	Very high	95.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-45.5	179.3	169.5	0	0	0	0	111.1	L116 A120 I131 V133 S149 L150 S155 V156 I157 V162	L116-V153 HydrophobicContact CB-CG2 4.24Å; A120-V153 HydrophobicContact CB-CB 4.47Å; A120-V153 HydrophobicContact CB-CG1 4.03Å; A120-V153 HydrophobicContact CB-CG2 4.13Å; I131-V153 HydrophobicContact CG2-CG1 4.05Å; V133-V153 HydrophobicContact CG1-CB 3.83Å; V133-V153 HydrophobicContact CG1-CG1 4.41Å; V133-V153 HydrophobicContact CG1-CG2 3.38Å; S149-V153 PolarHBondContact O-N 3.38Å; L150-V153 PolarHBondContact O-N 3.4Å; V153-S155 PolarHBondContact O-N 2.93Å; V153-S155 VanDerWaalsContact O-N 3.16Å; V153-V156 WeakPolarHBondContact O-CG2 3.41Å; V153-V156 PolarHBondContact O-N 3.11Å; V153-I157 HydrophobicContact CG1-CD1 4.32Å; V153-I157 HydrophobicContact CG1-CG1 3.59Å; V153-I157 WeakPolarHBondContact O-CG1 3.47Å; V153-I157 PolarHBondContact O-N 2.99Å; V153-I157 VanDerWaalsContact O-N 3.12Å; V153-V162 HydrophobicContact CG1-CG1 4.16Å; V153-V162 HydrophobicContact CG1-CG2 4.46Å
154	K	97.6	Very high	96.3	Very high	73 Å²	73	54 Å²	54	32%	0.317	27%	0.274	S	S	.	.	H	α-helix	trans	-59.1	-29.7	177.5	-80.5	-157.7	65.3	170.8	0	114.2	L150 R151 T152 V156 V162 E179 S180	L150-K154 HydrophobicContact CD1-CD 4.01Å; L150-K154 HydrophobicContact CD1-CG 3.88Å; L150-K154 HydrophobicContact CG-CD 4.39Å; L150-K154 HydrophobicContact CG-CG 4.47Å; L150-K154 VanDerWaalsContact O-CB 3.27Å; L150-K154 WeakPolarHBondContact O-CB 3.03Å; L150-K154 WeakPolarHBondContact O-CG 3.39Å; L150-K154 PolarHBondContact O-N 2.79Å; R151-K154 PolarHBondContact O-N 3.07Å; T152-K154 PolarHBondContact O-N 3.21Å; K154-V156 PolarHBondContact O-N 3.02Å; K154-V162 HydrophobicContact CG-CB 4.18Å; K154-V162 HydrophobicContact CG-CG1 3.86Å; K154-V162 HydrophobicContact CG-CG2 4.14Å; K154-E179 VanDerWaalsContact CD-O 3.3Å; K154-E179 WeakPolarHBondContact CD-O 3.4Å; K154-E179 WeakPolarHBondContact CE-O 3.49Å; K154-E179 PolarHBondContact NZ-O 3.24Å; K154-S180 PolarHBondContact NZ-O 3.22Å
155	S	97.5	Very high	96.8	Very high	85 Å²	85	50.1 Å²	50.1	59%	0.594	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-15.5	179.4	78.2	0	0	0	0	113.4	R151 T152 V153	R151-S155 WeakPolarHBondContact O-CB 3.41Å; R151-S155 PolarHBondContact O-N 3.24Å; T152-S155 PolarHBondContact O-N 3.14Å; T152-S155 PolarHBondContact O-OG 3.38Å; V153-S155 PolarHBondContact O-N 2.93Å; V153-S155 VanDerWaalsContact O-N 3.16Å
156	V	97.7	Very high	97.2	Very high	15 Å²	15	47.1 Å²	47.1	9%	0.091	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-24.5	-173.6	-59.1	0	0	0	0	114.9	E117 A120 K121 V153 K154	E117-V156 HydrophobicContact CB-CG1 4.25Å; E117-V156 HydrophobicContact CG-CG1 4.17Å; A120-V156 HydrophobicContact CB-CG2 3.74Å; K121-V156 HydrophobicContact CD-CB 4.35Å; K121-V156 HydrophobicContact CG-CB 3.86Å; K121-V156 HydrophobicContact CG-CG2 4.16Å; V153-V156 WeakPolarHBondContact O-CG2 3.41Å; V153-V156 PolarHBondContact O-N 3.11Å; K154-V156 PolarHBondContact O-N 3.02Å
157	I	97.1	Very high	97.1	Very high	25 Å²	25	48.7 Å²	48.7	13%	0.128	26%	0.255	C	S	.	.			trans	-71.5	139	-179.7	-66.6	-58.7	0	0	0	112	A120 D124 I131 V153 S160 V162	A120-I157 HydrophobicContact CB-CD1 3.84Å; A120-I157 HydrophobicContact CB-CG1 4.4Å; A120-I157 VanDerWaalsContact O-CD1 3.32Å; A120-I157 WeakPolarHBondContact O-CD1 3.43Å; D124-I157 HydrophobicContact CB-CD1 3.74Å; I131-I157 HydrophobicContact CD1-CD1 3.4Å; I131-I157 VanDerWaalsContact CD1-CD1 3.4Å; V153-I157 HydrophobicContact CG1-CD1 4.32Å; V153-I157 HydrophobicContact CG1-CG1 3.59Å; V153-I157 WeakPolarHBondContact O-CG1 3.47Å; V153-I157 PolarHBondContact O-N 2.99Å; V153-I157 VanDerWaalsContact O-N 3.12Å; I157-S160 WeakPolarHBondContact CG2-O 3.24Å; I157-V162 HydrophobicContact CB-CG2 3.96Å; I157-V162 HydrophobicContact CG1-CG2 4Å; I157-V162 HydrophobicContact CG2-CG2 3.81Å
158	K	97	Very high	97.2	Very high	176 Å²	176	47.5 Å²	47.5	77%	0.765	25%	0.248	S	C	*	.	S	Bend	trans	-121.3	-35.4	179.6	-62.7	173.1	-171.9	168	0	114.1	D124	D124-K158 WeakPolarHBondContact OD2-CB 3.36Å; D124-K158 PolarHBondContact OD2-N 3.01Å
159	N	98.2	Very high	97.3	Very high	131 Å²	131	45.6 Å²	45.6	70%	0.701	24%	0.238	S	C	*	.	S	Bend	trans	-119.6	-45.1	-169.8	-47.3	-70.5	0	0	0	112.8	D124	D124-N159 WeakPolarHBondContact OD1-CA 3.45Å; D124-N159 WeakPolarHBondContact OD1-CB 3.45Å; D124-N159 PolarHBondContact OD1-N 2.92Å; D124-N159 PolarHBondContact OD2-N 2.9Å; D124-N159 PolarHBondContact OD2-ND2 3.08Å
160	S	98.6	Very high	97.2	Very high	11 Å²	11	45.2 Å²	45.2	8%	0.077	23%	0.234	C	C	.	.	S	Bend	trans	-65.1	151.6	178.2	-60.3	0	0	0	0	111.8	D124 A128 I157	D124-S160 PolarHBondContact OD1-N 3.2Å; D124-S160 PolarHBondContact OD1-OG 3.26Å; A128-S160 VanDerWaalsContact O-CB 3.29Å; A128-S160 WeakPolarHBondContact O-CB 3.15Å; A128-S160 PolarHBondContact O-OG 2.8Å; I157-S160 WeakPolarHBondContact CG2-O 3.24Å
161	K	98.7	Very high	97	Very high	70 Å²	70	51 Å²	51	30%	0.304	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	141.3	168.4	-68.5	178.5	176.5	-173.8	0	110.1	E2 D129 Y130 I131 D182	E2-K161 IonicContact OE2-NZ 3.51Å; E2-K161 PolarHBondContact OE2-NZ 3.19Å; E2-K161 VanDerWaalsContact OE2-NZ 3.08Å; D129-K161 WeakPolarHBondContact O-CB 3.49Å; D129-K161 PolarHBondContact O-N 2.69Å; Y130-K161 CarbonylContact C-O 3.57Å; Y130-K161 VanDerWaalsContact CA-O 3.32Å; Y130-K161 WeakPolarHBondContact CA-O 3.34Å; Y130-K161 HydrophobicContact CD1-CB 3.56Å; Y130-K161 HydrophobicContact CD1-CD 3.92Å; Y130-K161 HydrophobicContact CD1-CG 4.43Å; Y130-K161 HydrophobicContact CE1-CB 3.82Å; Y130-K161 HydrophobicContact CE1-CD 3.31Å; Y130-K161 HydrophobicContact CE1-CG 4.25Å; Y130-K161 HydrophobicContact CE2-CD 4.35Å; Y130-K161 HydrophobicContact CG-CB 4.25Å; Y130-K161 PolarHBondContact OH-NZ 3.24Å; I131-K161 PolarHBondContact N-O 2.81Å; K161-D182 WeakPolarHBondContact CA-OD2 3.46Å; K161-D182 HydrophobicContact CB-CB 3.75Å; K161-D182 HydrophobicContact CD-CB 4.47Å; K161-D182 HydrophobicContact CG-CB 4.1Å
162	V	98.7	Very high	96.7	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.024	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.7	176.6	-175.2	0	0	0	0	110.5	L150 V153 K154 I157 D182 L183	L150-V162 HydrophobicContact CD1-CG1 3.59Å; V153-V162 HydrophobicContact CG1-CG1 4.16Å; V153-V162 HydrophobicContact CG1-CG2 4.46Å; K154-V162 HydrophobicContact CG-CB 4.18Å; K154-V162 HydrophobicContact CG-CG1 3.86Å; K154-V162 HydrophobicContact CG-CG2 4.14Å; I157-V162 HydrophobicContact CB-CG2 3.96Å; I157-V162 HydrophobicContact CG1-CG2 4Å; I157-V162 HydrophobicContact CG2-CG2 3.81Å; V162-D182 PolarHBondContact N-OD2 3.21Å; V162-D182 PolarHBondContact O-N 3.18Å; V162-L183 PolarHBondContact O-N 3.49Å
163	A	98.7	Very high	96.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	158	175.9	0	0	0	0	0	111.5	L107 I131 A132 V133 L183 I185	L107-A163 HydrophobicContact CD1-CB 4.37Å; I131-A163 PolarHBondContact O-N 3.14Å; A132-A163 WeakPolarHBondContact CA-O 3.5Å; A132-A163 HydrophobicContact CB-CB 3.73Å; V133-A163 PolarHBondContact N-O 2.76Å; A163-L183 CarbonylContact C-O 3.57Å; A163-L183 VanDerWaalsContact CA-O 3.28Å; A163-L183 WeakPolarHBondContact CA-O 3.45Å; A163-L183 HydrophobicContact CB-CB 3.84Å; A163-L183 HydrophobicContact CB-CD2 3.84Å; A163-L183 HydrophobicContact CB-CG 4.1Å; A163-I185 HydrophobicContact CB-CD1 4.33Å
164	V	98.4	Very high	96.5	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	129	-179.5	57.6	0	0	0	0	111.2	V133 P146 L150 I168 I176 P181 L183 V184 I185	V133-V164 HydrophobicContact CG2-CB 3.96Å; V133-V164 HydrophobicContact CG2-CG2 3.83Å; V133-V164 WeakPolarHBondContact O-CA 3.41Å; P146-V164 HydrophobicContact CB-CG2 3.8Å; P146-V164 HydrophobicContact CG-CG2 3.72Å; L150-V164 HydrophobicContact CD1-CB 4.31Å; L150-V164 HydrophobicContact CD2-CB 4.31Å; L150-V164 HydrophobicContact CD2-CG1 4.38Å; L150-V164 HydrophobicContact CD2-CG2 4.24Å; V164-I168 HydrophobicContact CG1-CD1 4.22Å; V164-I168 HydrophobicContact CG2-CD1 4.16Å; V164-I176 HydrophobicContact CB-CG2 4.4Å; V164-I176 HydrophobicContact CG1-CG2 3.4Å; V164-I176 HydrophobicContact CG2-CD1 4.34Å; V164-I176 HydrophobicContact CG2-CG2 4.14Å; V164-P181 HydrophobicContact CG1-CB 3.9Å; V164-P181 HydrophobicContact CG1-CG 3.84Å; V164-L183 PolarHBondContact N-O 3.29Å; V164-V184 HydrophobicContact CG1-CB 4.43Å; V164-V184 HydrophobicContact CG1-CG1 4.4Å; V164-V184 HydrophobicContact CG1-CG2 4.13Å; V164-I185 WeakPolarHBondContact O-CB 3.44Å; V164-I185 PolarHBondContact O-N 2.85Å
165	A	97.7	Very high	96.4	Very high	9 Å²	9	54.8 Å²	54.8	7%	0.074	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.6	176	0	0	0	0	0	110.8	V133 H134 T135 P146 I185	V133-A165 PolarHBondContact O-N 3.04Å; H134-A165 WeakPolarHBondContact CA-O 3.48Å; H134-A165 HydrophobicContact CB-CB 4.34Å; T135-A165 PolarHBondContact N-O 3.3Å; T135-A165 VanDerWaalsContact N-O 3.16Å; P146-A165 WeakPolarHBondContact CB-O 3.3Å; A165-I185 HydrophobicContact CB-CB 3.89Å; A165-I185 HydrophobicContact CB-CD1 4.1Å; A165-I185 HydrophobicContact CB-CG2 4.19Å
166	G	95.2	Very high	96.3	Very high	8 Å²	8	51.1 Å²	51.1	8%	0.082	27%	0.265	C	S	.	.	S	Bend	trans	123.4	110.3	169.5	0	0	0	0	0	113.4	T135 P146 I168	T135-G166 WeakPolarHBondContact O-CA 3.31Å; P146-G166 VanDerWaalsContact CD-O 3.26Å; P146-G166 WeakPolarHBondContact CD-O 3.47Å; P146-G166 WeakPolarHBondContact CG-O 3.33Å; G166-I168 PolarHBondContact O-N 2.99Å; G166-I168 VanDerWaalsContact O-N 3.08Å
167	G	92.1	Very high	96.3	Very high	36 Å²	36	50.7 Å²	50.7	37%	0.371	26%	0.263	S	S	.	.	S	Bend	trans	66.4	9.6	171.6	0	0	0	0	0	116.1	Q140	Q140-G167 VanDerWaalsContact OE1-CA 3.28Å
168	I	95.6	Very high	96.2	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.036	28%	0.283	C	S	.	.			trans	-72.4	134.1	-176.9	-51.2	-179	0	0	0	110	V164 G166 I173 I176 V184 V186	V164-I168 HydrophobicContact CG1-CD1 4.22Å; V164-I168 HydrophobicContact CG2-CD1 4.16Å; G166-I168 PolarHBondContact O-N 2.99Å; G166-I168 VanDerWaalsContact O-N 3.08Å; I168-I173 HydrophobicContact CG2-CB 3.88Å; I168-I173 HydrophobicContact CG2-CD1 4.29Å; I168-I173 HydrophobicContact CG2-CG1 3.87Å; I168-I176 HydrophobicContact CD1-CG1 4.19Å; I168-I176 HydrophobicContact CD1-CG2 4.2Å; I168-I176 HydrophobicContact CG1-CG1 4.29Å; I168-V184 HydrophobicContact CD1-CG1 3.73Å; I168-V184 HydrophobicContact CG2-CG1 4.2Å; I168-V186 HydrophobicContact CB-CG2 4.23Å; I168-V186 HydrophobicContact CG2-CG2 3.88Å
169	K	95.3	Very high	96.2	Very high	113 Å²	113	46.7 Å²	46.7	49%	0.491	26%	0.258	S	S	.	.			trans	-136.1	161.2	-179.6	-66.7	178.5	-175	178.1	0	110.4	D171 T172 I173	K169-D171 WeakPolarHBondContact CB-OD1 3.32Å; K169-D171 PolarHBondContact O-N 3.35Å; K169-D171 VanDerWaalsContact O-N 3.1Å; K169-T172 PolarHBondContact N-OG1 3.41Å; K169-T172 VanDerWaalsContact N-OG1 3.12Å; K169-T172 PolarHBondContact O-N 3.29Å; K169-T172 VanDerWaalsContact O-N 3.08Å; K169-T172 PolarHBondContact O-OG1 2.96Å; K169-I173 WeakPolarHBondContact O-CB 2.91Å; K169-I173 PolarHBondContact O-N 3Å
170	P	96.2	Very high	96.1	Very high	26 Å²	26	43 Å²	43	17%	0.169	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-30	178.8	-28.6	35.3	0	0	0	115.3	I173 G189 A199 Q202	P170-I173 WeakPolarHBondContact O-CG2 3.16Å; P170-G189 WeakPolarHBondContact CD-O 3.39Å; P170-A199 HydrophobicContact CG-CB 3.89Å; P170-Q202 HydrophobicContact CB-CB 3.87Å
171	D	93.5	Very high	96.1	Very high	123 Å²	123	42.7 Å²	42.7	66%	0.658	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-29.2	178.9	60.3	-19.8	0	0	0	113.6	K169	K169-D171 WeakPolarHBondContact CB-OD1 3.32Å; K169-D171 PolarHBondContact O-N 3.35Å; K169-D171 VanDerWaalsContact O-N 3.1Å
172	T	91.9	Very high	96.1	Very high	56 Å²	56	42.5 Å²	42.5	34%	0.344	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-14.4	-178.4	61.8	0	0	0	0	114.3	K169 K174 D175	K169-T172 PolarHBondContact N-OG1 3.41Å; K169-T172 VanDerWaalsContact N-OG1 3.12Å; K169-T172 PolarHBondContact O-N 3.29Å; K169-T172 VanDerWaalsContact O-N 3.08Å; K169-T172 PolarHBondContact O-OG1 2.96Å; T172-K174 PolarHBondContact O-N 2.97Å; T172-K174 VanDerWaalsContact O-N 3.07Å; T172-D175 PolarHBondContact O-N 3.45Å
173	I	96	Very high	96.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.5	-26.9	-174.6	-168.7	168.7	0	0	0	113.5	L3 I168 K169 P170 D175 I176 V177 V184 V186 C203 A206 I207	L3-I173 HydrophobicContact CD1-CD1 4.47Å; I168-I173 HydrophobicContact CG2-CB 3.88Å; I168-I173 HydrophobicContact CG2-CD1 4.29Å; I168-I173 HydrophobicContact CG2-CG1 3.87Å; K169-I173 WeakPolarHBondContact O-CB 2.91Å; K169-I173 PolarHBondContact O-N 3Å; P170-I173 WeakPolarHBondContact O-CG2 3.16Å; I173-D175 VanDerWaalsContact C-N 3.3Å; I173-D175 PolarHBondContact O-N 2.88Å; I173-I176 WeakPolarHBondContact O-CB 3.42Å; I173-I176 PolarHBondContact O-N 3.12Å; I173-I176 VanDerWaalsContact O-N 3.17Å; I173-V177 HydrophobicContact CG1-CG2 3.95Å; I173-V177 VanDerWaalsContact O-CG2 3.32Å; I173-V177 WeakPolarHBondContact O-CG2 3.4Å; I173-V177 PolarHBondContact O-N 3.4Å; I173-V184 HydrophobicContact CD1-CG1 3.97Å; I173-V184 HydrophobicContact CG1-CG1 4.15Å; I173-V186 HydrophobicContact CD1-CG2 4.23Å; I173-C203 HydrophobicContact CD1-CB 3.74Å; I173-A206 HydrophobicContact CG2-CB 3.56Å; I173-I207 HydrophobicContact CD1-CD1 4.35Å; I173-I207 HydrophobicContact CD1-CG1 4.44Å
174	K	95.6	Very high	96.1	Very high	145 Å²	145	42.3 Å²	42.3	63%	0.63	24%	0.241	S	C	*	.	H	α-helix	trans	-60.8	-37.2	-179.1	-71.2	-177.3	179.7	176.5	0	113.2	T172 I176 V177 A178 A206	T172-K174 PolarHBondContact O-N 2.97Å; T172-K174 VanDerWaalsContact O-N 3.07Å; K174-I176 VanDerWaalsContact C-N 3.32Å; K174-V177 PolarHBondContact O-N 2.99Å; K174-A178 WeakPolarHBondContact O-CB 3.42Å; K174-A178 PolarHBondContact O-N 3.22Å; K174-A206 HydrophobicContact CG-CB 4.2Å
175	D	94	Very high	96.1	Very high	110 Å²	110	43 Å²	43	59%	0.588	25%	0.245	S	C	*	.	H	α-helix	trans	-67.6	-37.3	178.9	-65.7	-25.8	0	0	0	111	T172 I173	T172-D175 PolarHBondContact O-N 3.45Å; I173-D175 VanDerWaalsContact C-N 3.3Å; I173-D175 PolarHBondContact O-N 2.88Å
176	I	96.3	Very high	96.1	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.041	24%	0.241	C	C	.	.	H	α-helix	trans	-68.3	-45.8	173.9	-59.3	-63	0	0	0	110.6	P146 L147 L150 V164 I168 I173 K174 A178 E179 P181 V184	P146-I176 HydrophobicContact CG-CD1 4.1Å; L147-I176 HydrophobicContact CB-CD1 4.36Å; L147-I176 HydrophobicContact CD1-CD1 4.05Å; L150-I176 HydrophobicContact CD2-CG2 4.22Å; V164-I176 HydrophobicContact CB-CG2 4.4Å; V164-I176 HydrophobicContact CG1-CG2 3.4Å; V164-I176 HydrophobicContact CG2-CD1 4.34Å; V164-I176 HydrophobicContact CG2-CG2 4.14Å; I168-I176 HydrophobicContact CD1-CG1 4.19Å; I168-I176 HydrophobicContact CD1-CG2 4.2Å; I168-I176 HydrophobicContact CG1-CG1 4.29Å; I173-I176 WeakPolarHBondContact O-CB 3.42Å; I173-I176 PolarHBondContact O-N 3.12Å; I173-I176 VanDerWaalsContact O-N 3.17Å; K174-I176 VanDerWaalsContact C-N 3.32Å; I176-A178 VanDerWaalsContact C-N 3.28Å; I176-A178 PolarHBondContact O-N 3.02Å; I176-E179 PolarHBondContact O-N 2.9Å; I176-E179 VanDerWaalsContact O-N 3.16Å; I176-P181 HydrophobicContact CG2-CG 4.16Å; I176-P181 WeakPolarHBondContact O-CD 3.48Å; I176-V184 HydrophobicContact CG2-CG1 4.39Å; I176-V184 HydrophobicContact CG2-CG2 4.25Å
177	V	96.6	Very high	96.2	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.036	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-40.6	178.9	167.6	0	0	0	0	110.3	M1 I173 K174 E179 S180 I207 K210	M1-V177 HydrophobicContact CE-CB 4.43Å; M1-V177 HydrophobicContact CE-CG1 4.09Å; M1-V177 HydrophobicContact CE-CG2 4.46Å; M1-V177 HydrophobicContact SD-CB 4.48Å; M1-V177 HydrophobicContact SD-CG1 4.38Å; M1-V177 HydrophobicContact SD-CG2 3.88Å; I173-V177 HydrophobicContact CG1-CG2 3.95Å; I173-V177 VanDerWaalsContact O-CG2 3.32Å; I173-V177 WeakPolarHBondContact O-CG2 3.4Å; I173-V177 PolarHBondContact O-N 3.4Å; K174-V177 PolarHBondContact O-N 2.99Å; V177-E179 PolarHBondContact O-N 3.14Å; V177-E179 VanDerWaalsContact O-N 3.15Å; V177-S180 WeakPolarHBondContact O-CA 3.04Å; V177-S180 PolarHBondContact O-N 3.49Å; V177-I207 HydrophobicContact CG2-CG1 3.84Å; V177-K210 HydrophobicContact CG1-CD 3.67Å; V177-K210 VanDerWaalsContact CG1-CE 3.48Å; V177-K210 HydrophobicContact CG1-CG 3.92Å; V177-K210 WeakPolarHBondContact O-CE 3.19Å; V177-K210 PolarHBondContact O-NZ 2.67Å
178	A	96.3	Very high	96.3	Very high	67 Å²	67	42.4 Å²	42.4	55%	0.554	24%	0.24	S	C	*	.	H	α-helix	trans	-53.9	-35.7	178.2	0	0	0	0	0	113	K174 I176 S180	K174-A178 WeakPolarHBondContact O-CB 3.42Å; K174-A178 PolarHBondContact O-N 3.22Å; I176-A178 VanDerWaalsContact C-N 3.28Å; I176-A178 PolarHBondContact O-N 3.02Å; A178-S180 PolarHBondContact O-N 3.22Å; A178-S180 PolarHBondContact O-OG 3.27Å
179	E	96.7	Very high	96.3	Very high	50 Å²	50	42.8 Å²	42.8	23%	0.234	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.1	176.9	-60.7	-57.2	154.2	0	0	113.9	L147 L150 R151 K154 I176 V177	L147-E179 HydrophobicContact CD1-CG 3.46Å; L147-E179 VanDerWaalsContact CD1-CG 3.46Å; L150-E179 HydrophobicContact CD2-CB 3.66Å; L150-E179 HydrophobicContact CD2-CG 4.3Å; L150-E179 HydrophobicContact CG-CB 4.26Å; R151-E179 HydrophobicContact CG-CG 4.3Å; R151-E179 WeakPolarHBondContact CG-OE2 3.41Å; R151-E179 IonicContact CZ-OE1 2.69Å; R151-E179 VanDerWaalsContact NE-CD 3.26Å; R151-E179 IonicContact NE-OE1 2.91Å; R151-E179 PolarHBondContact NE-OE1 3.32Å; R151-E179 IonicContact NE-OE2 3.27Å; R151-E179 IonicContact NH2-OE1 3.86Å; R151-E179 PolarHBondContact NH2-OE1 2.89Å; K154-E179 VanDerWaalsContact CD-O 3.3Å; K154-E179 WeakPolarHBondContact CD-O 3.4Å; K154-E179 WeakPolarHBondContact CE-O 3.49Å; K154-E179 PolarHBondContact NZ-O 3.24Å; I176-E179 PolarHBondContact O-N 2.9Å; I176-E179 VanDerWaalsContact O-N 3.16Å; V177-E179 PolarHBondContact O-N 3.14Å; V177-E179 VanDerWaalsContact O-N 3.15Å
180	S	96.4	Very high	96.5	Very high	54 Å²	54	37.4 Å²	37.4	38%	0.378	22%	0.222	S	C	.	.			trans	57.6	51	174.7	-49.9	0	0	0	0	115.7	K154 V177 A178 K210	K154-S180 PolarHBondContact NZ-O 3.22Å; V177-S180 WeakPolarHBondContact O-CA 3.04Å; V177-S180 PolarHBondContact O-N 3.49Å; A178-S180 PolarHBondContact O-N 3.22Å; A178-S180 PolarHBondContact O-OG 3.27Å; S180-K210 VanDerWaalsContact CB-NZ 3.29Å; S180-K210 PolarHBondContact OG-NZ 2.98Å
181	P	97.7	Very high	96.5	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.026	22%	0.222	C	C	.	.			trans	-61	160.5	166.4	29.8	-36.5	0	0	0	111.3	M1 L150 V164 I176 V184	M1-P181 HydrophobicContact CE-CG 3.95Å; M1-P181 VanDerWaalsContact CE-O 3.27Å; M1-P181 WeakPolarHBondContact CE-O 3.41Å; M1-P181 WeakPolarHBondContact CG-O 3.47Å; M1-P181 HydrophobicContact SD-CG 4.21Å; L150-P181 HydrophobicContact CD1-CB 4.15Å; L150-P181 HydrophobicContact CD2-CB 4.4Å; L150-P181 HydrophobicContact CD2-CG 4.37Å; V164-P181 HydrophobicContact CG1-CB 3.9Å; V164-P181 HydrophobicContact CG1-CG 3.84Å; I176-P181 HydrophobicContact CG2-CG 4.16Å; I176-P181 WeakPolarHBondContact O-CD 3.48Å; P181-V184 HydrophobicContact CG-CG2 3.63Å
182	D	98.5	Very high	96.6	Very high	67 Å²	67	36.2 Å²	36.2	36%	0.358	22%	0.217	S	C	.	.	S	Bend	trans	-80	-30.8	172.8	-63.8	-72.9	0	0	0	111.5	M1 E2 K161 V162	M1-D182 CarbonylContact C-O 3.59Å; M1-D182 WeakPolarHBondContact CA-O 3.26Å; E2-D182 PolarHBondContact N-O 3.47Å; K161-D182 WeakPolarHBondContact CA-OD2 3.46Å; K161-D182 HydrophobicContact CB-CB 3.75Å; K161-D182 HydrophobicContact CD-CB 4.47Å; K161-D182 HydrophobicContact CG-CB 4.1Å; V162-D182 PolarHBondContact N-OD2 3.21Å; V162-D182 PolarHBondContact O-N 3.18Å
183	L	98.7	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	130	-178	176.9	66.2	0	0	0	111.3	E2 Q4 I28 L107 Y130 V162 A163 V164 I185	E2-L183 HydrophobicContact CB-CD1 3.52Å; E2-L183 WeakPolarHBondContact O-CA 3.41Å; Q4-L183 HydrophobicContact CB-CD1 3.9Å; I28-L183 HydrophobicContact CD1-CD1 3.92Å; I28-L183 HydrophobicContact CD1-CD2 4.12Å; L107-L183 HydrophobicContact CD1-CD2 4.21Å; Y130-L183 HydrophobicContact CD1-CB 4.25Å; Y130-L183 HydrophobicContact CD1-CD2 3.85Å; Y130-L183 HydrophobicContact CE1-CB 4.1Å; Y130-L183 HydrophobicContact CE1-CD2 3.84Å; V162-L183 PolarHBondContact O-N 3.49Å; A163-L183 CarbonylContact C-O 3.57Å; A163-L183 VanDerWaalsContact CA-O 3.28Å; A163-L183 WeakPolarHBondContact CA-O 3.45Å; A163-L183 HydrophobicContact CB-CB 3.84Å; A163-L183 HydrophobicContact CB-CD2 3.84Å; A163-L183 HydrophobicContact CB-CG 4.1Å; V164-L183 PolarHBondContact N-O 3.29Å; L183-I185 HydrophobicContact CD2-CD1 4.44Å; L183-I185 HydrophobicContact CD2-CG1 4.3Å; L183-I185 HydrophobicContact CG-CG1 4.2Å
184	V	98.5	Very high	96.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.9	173.6	-177	0	0	0	0	109.5	M1 E2 L3 Q4 V164 I168 I173 I176 P181 V186 I207	M1-V184 HydrophobicContact CG-CG2 4.1Å; M1-V184 HydrophobicContact SD-CG2 3.58Å; M1-V184 VanDerWaalsContact SD-CG2 3.58Å; E2-V184 PolarHBondContact O-N 2.93Å; L3-V184 HydrophobicContact CD1-CB 4.47Å; Q4-V184 PolarHBondContact N-O 3.36Å; V164-V184 HydrophobicContact CG1-CB 4.43Å; V164-V184 HydrophobicContact CG1-CG1 4.4Å; V164-V184 HydrophobicContact CG1-CG2 4.13Å; I168-V184 HydrophobicContact CD1-CG1 3.73Å; I168-V184 HydrophobicContact CG2-CG1 4.2Å; I173-V184 HydrophobicContact CD1-CG1 3.97Å; I173-V184 HydrophobicContact CG1-CG1 4.15Å; I176-V184 HydrophobicContact CG2-CG1 4.39Å; I176-V184 HydrophobicContact CG2-CG2 4.25Å; P181-V184 HydrophobicContact CG-CG2 3.63Å; V184-V186 HydrophobicContact CG1-CG2 4.1Å; V184-I207 HydrophobicContact CB-CD1 4.35Å; V184-I207 HydrophobicContact CG2-CD1 4.47Å
185	I	98.7	Very high	97	Very high	13 Å²	13	41.1 Å²	41.1	7%	0.067	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.4	-177.6	-54.4	171.9	0	0	0	108.8	Q4 A6 L107 A163 V164 A165 L183	Q4-I185 HydrophobicContact CB-CB 4.46Å; Q4-I185 HydrophobicContact CB-CG1 4.09Å; Q4-I185 HydrophobicContact CB-CG2 4.5Å; Q4-I185 HydrophobicContact CG-CG1 4.29Å; Q4-I185 HydrophobicContact CG-CG2 4.18Å; A6-I185 HydrophobicContact CB-CG2 3.99Å; L107-I185 HydrophobicContact CD1-CD1 4.24Å; A163-I185 HydrophobicContact CB-CD1 4.33Å; V164-I185 WeakPolarHBondContact O-CB 3.44Å; V164-I185 PolarHBondContact O-N 2.85Å; A165-I185 HydrophobicContact CB-CB 3.89Å; A165-I185 HydrophobicContact CB-CD1 4.1Å; A165-I185 HydrophobicContact CB-CG2 4.19Å; L183-I185 HydrophobicContact CD2-CD1 4.44Å; L183-I185 HydrophobicContact CD2-CG1 4.3Å; L183-I185 HydrophobicContact CG-CG1 4.2Å
186	V	98	Very high	97.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	114.1	179.7	-174	0	0	0	0	109.1	L3 Q4 L5 A6 I168 I173 V184 I190	L3-V186 HydrophobicContact CD1-CG2 3.83Å; Q4-V186 PolarHBondContact O-N 2.92Å; L5-V186 WeakPolarHBondContact CA-O 3.41Å; A6-V186 PolarHBondContact N-O 3.25Å; I168-V186 HydrophobicContact CB-CG2 4.23Å; I168-V186 HydrophobicContact CG2-CG2 3.88Å; I173-V186 HydrophobicContact CD1-CG2 4.23Å; V184-V186 HydrophobicContact CG1-CG2 4.1Å; V186-I190 HydrophobicContact CB-CD1 3.84Å; V186-I190 HydrophobicContact CB-CG1 4.26Å; V186-I190 HydrophobicContact CG1-CB 4.33Å; V186-I190 HydrophobicContact CG1-CD1 3.86Å; V186-I190 HydrophobicContact CG1-CG1 3.7Å
187	G	97	Very high	97.3	Very high	16 Å²	16	38.4 Å²	38.4	17%	0.165	24%	0.241	C	C	.	.	S	Bend	trans	-89.7	-109.9	175.6	0	0	0	0	0	112	A6 G189 I190 A191	A6-G187 VanDerWaalsContact O-CA 3.31Å; A6-G187 WeakPolarHBondContact O-CA 3.24Å; G187-G189 PolarHBondContact O-N 2.91Å; G187-I190 PolarHBondContact O-N 3.44Å; G187-A191 PolarHBondContact O-N 3.45Å
188	G	95	Very high	97.4	Very high	25 Å²	25	41.9 Å²	41.9	26%	0.258	26%	0.257	S	S	.	.	H	α-helix	trans	-55.4	-19.9	-179.4	0	0	0	0	0	115.8	I190 N192	G188-I190 PolarHBondContact O-N 3.03Å; G188-N192 WeakPolarHBondContact O-CB 3.44Å; G188-N192 PolarHBondContact O-N 2.95Å; G188-N192 VanDerWaalsContact O-N 3.1Å
189	G	96.1	Very high	97.5	Very high	16 Å²	16	38.9 Å²	38.9	17%	0.165	23%	0.232	C	C	.	.	H	α-helix	trans	-62.1	-22.3	172	0	0	0	0	0	114.3	P170 G187	P170-G189 WeakPolarHBondContact CD-O 3.39Å; G187-G189 PolarHBondContact O-N 2.91Å
190	I	98.3	Very high	97.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-111.4	-52.2	170.3	-68.1	168.6	0	0	0	109.7	L5 V22 V186 G187 G188 N192 A193 P196 A199 A200 C203	L5-I190 HydrophobicContact CD1-CB 3.83Å; L5-I190 HydrophobicContact CD1-CG2 3.73Å; V22-I190 HydrophobicContact CG1-CG2 4.42Å; V186-I190 HydrophobicContact CB-CD1 3.84Å; V186-I190 HydrophobicContact CB-CG1 4.26Å; V186-I190 HydrophobicContact CG1-CB 4.33Å; V186-I190 HydrophobicContact CG1-CD1 3.86Å; V186-I190 HydrophobicContact CG1-CG1 3.7Å; G187-I190 PolarHBondContact O-N 3.44Å; G188-I190 PolarHBondContact O-N 3.03Å; I190-N192 VanDerWaalsContact C-N 3.26Å; I190-N192 PolarHBondContact O-N 3.35Å; I190-A193 WeakPolarHBondContact O-CB 3.38Å; I190-A193 PolarHBondContact O-N 3.45Å; I190-P196 HydrophobicContact CG2-CB 4.27Å; I190-P196 WeakPolarHBondContact O-CB 3.44Å; I190-A199 HydrophobicContact CG1-CB 4.21Å; I190-A200 HydrophobicContact CD1-CB 4.17Å; I190-A200 HydrophobicContact CG1-CB 4.49Å; I190-A200 HydrophobicContact CG2-CB 4.19Å; I190-C203 HydrophobicContact CD1-CB 4.44Å
191	A	97.5	Very high	97.7	Very high	19 Å²	19	37.8 Å²	37.8	16%	0.157	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-30.3	-170.6	0	0	0	0	0	114	L5 L18 G187	L5-A191 HydrophobicContact CD1-CB 4.24Å; L18-A191 HydrophobicContact CD2-CB 3.81Å; G187-A191 PolarHBondContact O-N 3.45Å
192	N	95.1	Very high	97.7	Very high	104 Å²	104	41.8 Å²	41.8	56%	0.556	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108	11.8	-178.4	-56.1	-20.6	0	0	0	112.6	G188 I190	G188-N192 WeakPolarHBondContact O-CB 3.44Å; G188-N192 PolarHBondContact O-N 2.95Å; G188-N192 VanDerWaalsContact O-N 3.1Å; I190-N192 VanDerWaalsContact C-N 3.26Å; I190-N192 PolarHBondContact O-N 3.35Å
193	A	96.7	Very high	97.7	Very high	32 Å²	32	38.6 Å²	38.6	26%	0.264	22%	0.221	S	C	.	.	S	Bend	trans	-73.8	150.7	175.3	0	0	0	0	0	110.7	I190 D195 P196 A199	I190-A193 WeakPolarHBondContact O-CB 3.38Å; I190-A193 PolarHBondContact O-N 3.45Å; A193-D195 PolarHBondContact O-N 3.22Å; A193-P196 WeakPolarHBondContact O-CD 3.48Å; A193-A199 HydrophobicContact CB-CB 3.73Å
194	D	96.6	Very high	97.7	Very high	184 Å²	184	39.9 Å²	39.9	98%	0.984	23%	0.226	S	C	*	.	S	Bend	trans	-58.6	-35.1	174.2	-68.4	-28.9	0	0	0	111.8
195	D	97.9	Very high	97.6	Very high	88 Å²	88	42.6 Å²	42.6	47%	0.471	25%	0.248	S	C	.	.	S	Bend	trans	-127.7	95.1	170.4	-173.1	-20.5	0	0	0	109.8	A193 V197 E198 A199	A193-D195 PolarHBondContact O-N 3.22Å; D195-V197 PolarHBondContact O-N 3.05Å; D195-V197 WeakPolarHBondContact OD1-CB 3.41Å; D195-V197 PolarHBondContact OD1-N 3.32Å; D195-E198 HydrophobicContact CB-CB 3.98Å; D195-E198 PolarHBondContact O-N 3.42Å; D195-E198 PolarHBondContact OD1-N 3.02Å; D195-A199 PolarHBondContact O-N 2.92Å
196	P	98.3	Very high	97.6	Very high	28 Å²	28	42.7 Å²	42.7	18%	0.182	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-28	178.9	-25.7	35.6	0	0	0	113.8	L18 V22 I190 A193 A200	L18-P196 HydrophobicContact CD1-CB 3.49Å; L18-P196 VanDerWaalsContact CD1-CB 3.49Å; L18-P196 HydrophobicContact CD1-CG 3.88Å; V22-P196 HydrophobicContact CG1-CB 4.3Å; I190-P196 HydrophobicContact CG2-CB 4.27Å; I190-P196 WeakPolarHBondContact O-CB 3.44Å; A193-P196 WeakPolarHBondContact O-CD 3.48Å; P196-A200 VanDerWaalsContact O-CB 3.3Å; P196-A200 WeakPolarHBondContact O-CB 3.09Å; P196-A200 PolarHBondContact O-N 2.89Å
197	V	98.5	Very high	97.5	Very high	34 Å²	34	43.3 Å²	43.3	21%	0.206	25%	0.254	C	S	.	.	H	α-helix	trans	-71.4	-45.8	179.6	-178.4	0	0	0	0	109.8	K21 V22 Y25 D195 A200 K201	K21-V197 HydrophobicContact CB-CG2 3.9Å; V22-V197 HydrophobicContact CG1-CG2 4.47Å; Y25-V197 HydrophobicContact CE2-CG1 3.83Å; D195-V197 PolarHBondContact O-N 3.05Å; D195-V197 WeakPolarHBondContact OD1-CB 3.41Å; D195-V197 PolarHBondContact OD1-N 3.32Å; V197-A200 PolarHBondContact O-N 3.07Å; V197-K201 HydrophobicContact CG1-CD 4.42Å; V197-K201 WeakPolarHBondContact O-CG 3.41Å; V197-K201 PolarHBondContact O-N 3.38Å
198	E	98.5	Very high	97.4	Very high	78 Å²	78	49.2 Å²	49.2	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-65.3	-41.2	175.7	-176.5	54.9	-153.6	0	0	111.7	D195 A200 K201 Q202	D195-E198 HydrophobicContact CB-CB 3.98Å; D195-E198 PolarHBondContact O-N 3.42Å; D195-E198 PolarHBondContact OD1-N 3.02Å; E198-A200 PolarHBondContact O-N 3.3Å; E198-K201 WeakPolarHBondContact O-CB 3.4Å; E198-K201 PolarHBondContact O-N 2.95Å; E198-Q202 WeakPolarHBondContact O-CG 3.21Å; E198-Q202 PolarHBondContact O-N 3.2Å; E198-Q202 PolarHBondContact OE1-NE2 3.01Å
199	A	98.6	Very high	97	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.033	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-46	174.4	0	0	0	0	0	112	P170 I190 A193 D195 K201 Q202 C203	P170-A199 HydrophobicContact CG-CB 3.89Å; I190-A199 HydrophobicContact CG1-CB 4.21Å; A193-A199 HydrophobicContact CB-CB 3.73Å; D195-A199 PolarHBondContact O-N 2.92Å; A199-K201 PolarHBondContact O-N 3.28Å; A199-Q202 PolarHBondContact O-N 2.91Å; A199-C203 PolarHBondContact O-N 3.28Å; A199-C203 PolarHBondContact O-SG 2.61Å; A199-C203 VanDerWaalsContact O-SG 3.37Å
200	A	98.7	Very high	95.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.5	-40.9	177.4	0	0	0	0	0	112.3	V22 Y25 I190 P196 V197 E198 C203 R204	V22-A200 HydrophobicContact CB-CB 3.91Å; V22-A200 HydrophobicContact CG1-CB 4Å; Y25-A200 HydrophobicContact CD2-CB 4.26Å; Y25-A200 HydrophobicContact CG-CB 4.41Å; I190-A200 HydrophobicContact CD1-CB 4.17Å; I190-A200 HydrophobicContact CG1-CB 4.49Å; I190-A200 HydrophobicContact CG2-CB 4.19Å; P196-A200 VanDerWaalsContact O-CB 3.3Å; P196-A200 WeakPolarHBondContact O-CB 3.09Å; P196-A200 PolarHBondContact O-N 2.89Å; V197-A200 PolarHBondContact O-N 3.07Å; E198-A200 PolarHBondContact O-N 3.3Å; A200-C203 PolarHBondContact O-N 2.99Å; A200-R204 WeakPolarHBondContact O-CB 3.07Å; A200-R204 PolarHBondContact O-N 2.68Å
201	K	98.3	Very high	95.2	Very high	81 Å²	81	60.7 Å²	60.7	35%	0.352	34%	0.339	S	S	.	.	H	α-helix	trans	-59.6	-45.4	173.9	-78.1	169.7	179.7	169.3	0	112.4	Y25 V197 E198 A199 R204 A205	Y25-K201 HydrophobicContact CD1-CG 3.79Å; Y25-K201 HydrophobicContact CD2-CG 4.05Å; Y25-K201 HydrophobicContact CE1-CD 4.37Å; Y25-K201 HydrophobicContact CE1-CG 3.47Å; Y25-K201 VanDerWaalsContact CE1-CG 3.47Å; Y25-K201 HydrophobicContact CE2-CD 4.37Å; Y25-K201 HydrophobicContact CE2-CG 3.74Å; Y25-K201 HydrophobicContact CG-CG 4.08Å; Y25-K201 VanDerWaalsContact CZ-CG 3.45Å; Y25-K201 WeakPolarHBondContact OH-CE 3.23Å; V197-K201 HydrophobicContact CG1-CD 4.42Å; V197-K201 WeakPolarHBondContact O-CG 3.41Å; V197-K201 PolarHBondContact O-N 3.38Å; E198-K201 WeakPolarHBondContact O-CB 3.4Å; E198-K201 PolarHBondContact O-N 2.95Å; A199-K201 PolarHBondContact O-N 3.28Å; K201-R204 PolarHBondContact O-N 2.77Å; K201-A205 VanDerWaalsContact O-CB 3.3Å; K201-A205 WeakPolarHBondContact O-CB 3.44Å; K201-A205 PolarHBondContact O-N 3.21Å
202	Q	98.3	Very high	95.1	Very high	88 Å²	88	62.8 Å²	62.8	41%	0.411	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-43.2	179.1	-72.7	175	7	0	0	111.4	P170 E198 A199 A205 A206	P170-Q202 HydrophobicContact CB-CB 3.87Å; E198-Q202 WeakPolarHBondContact O-CG 3.21Å; E198-Q202 PolarHBondContact O-N 3.2Å; E198-Q202 PolarHBondContact OE1-NE2 3.01Å; A199-Q202 PolarHBondContact O-N 2.91Å; Q202-A205 PolarHBondContact O-N 3.37Å; Q202-A206 WeakPolarHBondContact O-CB 3.36Å; Q202-A206 PolarHBondContact O-N 3.38Å
203	C	98.4	Very high	95.1	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.9	-47.9	173.4	-71	0	0	0	0	111.8	L3 I173 I190 A199 A200 A205 A206 I207	L3-C203 HydrophobicContact CD1-CB 4.19Å; L3-C203 HydrophobicContact CD2-CB 3.73Å; I173-C203 HydrophobicContact CD1-CB 3.74Å; I190-C203 HydrophobicContact CD1-CB 4.44Å; A199-C203 PolarHBondContact O-N 3.28Å; A199-C203 PolarHBondContact O-SG 2.61Å; A199-C203 VanDerWaalsContact O-SG 3.37Å; A200-C203 PolarHBondContact O-N 2.99Å; C203-A205 PolarHBondContact O-N 2.64Å; C203-A206 PolarHBondContact O-N 2.79Å; C203-I207 WeakPolarHBondContact O-CG1 3.45Å; C203-I207 PolarHBondContact O-N 2.78Å; C203-I207 VanDerWaalsContact O-N 3.1Å
204	R	98.3	Very high	95	Very high	27 Å²	27	62.2 Å²	62.2	10%	0.102	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-45.9	177.2	178.4	55.6	60.6	173.8	9.9	111.8	Y25 D27 A200 K201 A206 I207 E208	Y25-R204 PolarHBondContact O-NE 2.78Å; Y25-R204 PolarHBondContact O-NH2 3.5Å; D27-R204 VanDerWaalsContact CG-NH2 3.33Å; D27-R204 IonicContact OD1-NH2 2.64Å; D27-R204 IonicContact OD2-CZ 2.69Å; D27-R204 IonicContact OD2-NH1 3.63Å; D27-R204 PolarHBondContact OD2-NH1 3.16Å; D27-R204 VanDerWaalsContact OD2-NH1 3.12Å; D27-R204 IonicContact OD2-NH2 3.12Å; D27-R204 PolarHBondContact OD2-NH2 3.34Å; A200-R204 WeakPolarHBondContact O-CB 3.07Å; A200-R204 PolarHBondContact O-N 2.68Å; K201-R204 PolarHBondContact O-N 2.77Å; R204-A206 VanDerWaalsContact C-N 3.29Å; R204-A206 PolarHBondContact O-N 3.16Å; R204-I207 WeakPolarHBondContact O-CB 3.42Å; R204-I207 PolarHBondContact O-N 2.93Å; R204-E208 WeakPolarHBondContact CD-OE1 3.42Å; R204-E208 HydrophobicContact CG-CG 4.29Å; R204-E208 PolarHBondContact O-N 3.47Å
205	A	97.7	Very high	94.9	Very high	58 Å²	58	54.6 Å²	54.6	48%	0.479	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-36.8	178	0	0	0	0	0	112.2	K201 Q202 C203 I207 G209	K201-A205 VanDerWaalsContact O-CB 3.3Å; K201-A205 WeakPolarHBondContact O-CB 3.44Å; K201-A205 PolarHBondContact O-N 3.21Å; Q202-A205 PolarHBondContact O-N 3.37Å; C203-A205 PolarHBondContact O-N 2.64Å; A205-I207 VanDerWaalsContact C-N 3.32Å; A205-G209 PolarHBondContact O-N 3.14Å
206	A	97.1	Very high	94.7	Very high	15 Å²	15	52.4 Å²	52.4	12%	0.124	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-35.5	174.1	0	0	0	0	0	112.3	I173 K174 Q202 C203 R204	I173-A206 HydrophobicContact CG2-CB 3.56Å; K174-A206 HydrophobicContact CG-CB 4.2Å; Q202-A206 WeakPolarHBondContact O-CB 3.36Å; Q202-A206 PolarHBondContact O-N 3.38Å; C203-A206 PolarHBondContact O-N 2.79Å; R204-A206 VanDerWaalsContact C-N 3.29Å; R204-A206 PolarHBondContact O-N 3.16Å
207	I	96.5	Very high	94.4	Very high	12 Å²	12	54.1 Å²	54.1	6%	0.062	30%	0.298	C	S	.	.	H	α-helix	trans	-73.1	-40.7	177.2	-70.4	171.9	0	0	0	112	M1 L3 I173 V177 V184 C203 R204 A205	M1-I207 HydrophobicContact CB-CG2 3.87Å; M1-I207 HydrophobicContact CG-CG2 3.96Å; M1-I207 HydrophobicContact SD-CB 4.34Å; M1-I207 HydrophobicContact SD-CD1 4.3Å; M1-I207 HydrophobicContact SD-CG1 3.77Å; M1-I207 HydrophobicContact SD-CG2 3.94Å; L3-I207 HydrophobicContact CB-CD1 3.71Å; L3-I207 HydrophobicContact CD1-CD1 3.76Å; L3-I207 HydrophobicContact CD2-CD1 4.43Å; L3-I207 HydrophobicContact CG-CD1 4.15Å; I173-I207 HydrophobicContact CD1-CD1 4.35Å; I173-I207 HydrophobicContact CD1-CG1 4.44Å; V177-I207 HydrophobicContact CG2-CG1 3.84Å; V184-I207 HydrophobicContact CB-CD1 4.35Å; V184-I207 HydrophobicContact CG2-CD1 4.47Å; C203-I207 WeakPolarHBondContact O-CG1 3.45Å; C203-I207 PolarHBondContact O-N 2.78Å; C203-I207 VanDerWaalsContact O-N 3.1Å; R204-I207 WeakPolarHBondContact O-CB 3.42Å; R204-I207 PolarHBondContact O-N 2.93Å; A205-I207 VanDerWaalsContact C-N 3.32Å
208	E	94.5	Very high	94.1	Very high	140 Å²	140	55.7 Å²	55.7	65%	0.654	31%	0.305	S	S	*	.	H	α-helix	trans	-81.9	-32.2	-177.5	-71.4	-179.5	164.7	0	0	113.9	R204 K210	R204-E208 WeakPolarHBondContact CD-OE1 3.42Å; R204-E208 HydrophobicContact CG-CG 4.29Å; R204-E208 PolarHBondContact O-N 3.47Å; E208-K210 PolarHBondContact O-N 2.82Å
209	G	86.5	Confident	93.7	Very high	71 Å²	71	53.8 Å²	53.8	73%	0.732	30%	0.3	S	S	*	.			trans	-74.1	24.6	-177.8	0	0	0	0	0	114.6	A205	A205-G209 PolarHBondContact O-N 3.14Å
210	K	61.8	Low	93.3	Very high	150 Å²	150	58.4 Å²	58.4	65%	0.652	32%	0.324	S	S	*	.			trans	-90.3	0	-171.7	-141.5	-171.3	-178.1	-175.9	0	113	M1 V177 S180 E208	M1-K210 HydrophobicContact CE-CD 4.5Å; V177-K210 HydrophobicContact CG1-CD 3.67Å; V177-K210 VanDerWaalsContact CG1-CE 3.48Å; V177-K210 HydrophobicContact CG1-CG 3.92Å; V177-K210 WeakPolarHBondContact O-CE 3.19Å; V177-K210 PolarHBondContact O-NZ 2.67Å; S180-K210 VanDerWaalsContact CB-NZ 3.29Å; S180-K210 PolarHBondContact OG-NZ 2.98Å; E208-K210 PolarHBondContact O-N 2.82Å

Retrieved 210 of 210 residues in 44.4 ms (Link to these results)

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