A0A077ZM74_TRITR Loading...

Anaerobic nitric oxide reductase flavorubredoxin

Anaerobic nitric oxide reductase; uses NADH to detoxify nitric oxide (NO), protecting several 4Fe-4S NO-sensitive enzymes. Has at least 2 reductase partners, only one of which (NorW, flavorubredoxin reductase) has been identified. NO probably binds to the di-iron center; electrons enter from the reductase at rubredoxin and are transferred sequentially to the FMN center and the di-iron center. Also able to function as an aerobic oxygen reductase.

AlphaFold DB , UniProt , Accession A0A077ZM74, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 479 aa.

Structure Viewer

Loading PAE data...

(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	75.7	Confident	96.3	Very high	214 Å²	214	57.3 Å²	57.3	100%	1.054	30%	0.303	S	S	*	.				0	127.2	0	-110.9	-179.6	-95.1	0	0	106.2
2	S	95.8	Very high	96.6	Very high	42 Å²	42	53.3 Å²	53.3	29%	0.294	28%	0.282	S	S	.	.			trans	-71.7	160.8	175.3	57	0	0	0	0	110.9	W11 E66	S2-W11 WeakPolarHBondContact CA-O 3.43Å; S2-W11 VanDerWaalsContact CB-O 3.32Å; S2-W11 WeakPolarHBondContact CB-O 3.21Å; S2-E66 WeakPolarHBondContact CB-OE2 3.34Å; S2-E66 VanDerWaalsContact OG-CD 3.28Å; S2-E66 PolarHBondContact OG-OE2 3.13Å
3	I	98.5	Very high	96.7	Very high	46 Å²	46	49.8 Å²	49.8	24%	0.236	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.7	174.9	-64.7	168.5	0	0	0	108	V5 H10 W11 L177	I3-V5 PolarHBondContact O-N 2.92Å; I3-H10 CarbonylContact O-C 3.56Å; I3-W11 HydrophobicContact CB-CB 4.35Å; I3-W11 HydrophobicContact CB-CE3 4.46Å; I3-W11 HydrophobicContact CD1-CE3 4.25Å; I3-W11 HydrophobicContact CG1-CE3 4.38Å; I3-W11 PolarHBondContact N-O 3.44Å; I3-W11 VanDerWaalsContact N-O 3.08Å; I3-W11 PolarHBondContact O-N 3.26Å; I3-L177 HydrophobicContact CB-CD2 4.12Å; I3-L177 HydrophobicContact CD1-CB 4.37Å; I3-L177 HydrophobicContact CG2-CB 4.36Å; I3-L177 HydrophobicContact CG2-CD2 3.75Å
4	V	98.7	Very high	96.9	Very high	82 Å²	82	49.1 Å²	49.1	50%	0.497	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	122	173.8	178.1	0	0	0	0	108.7
5	V	98.8	Very high	97	Very high	8 Å²	8	48.5 Å²	48.5	5%	0.048	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-59.9	176.1	179.7	0	0	0	0	109.4	I3 I9 W11 Y38 L177 F178 M222 V230	I3-V5 PolarHBondContact O-N 2.92Å; V5-I9 HydrophobicContact CB-CB 4.16Å; V5-I9 HydrophobicContact CB-CG2 3.97Å; V5-I9 HydrophobicContact CG1-CG2 4.47Å; V5-I9 HydrophobicContact CG2-CG2 4.22Å; V5-I9 PolarHBondContact N-O 3.44Å; V5-W11 HydrophobicContact CG2-CB 3.87Å; V5-Y38 HydrophobicContact CG2-CD1 4.02Å; V5-Y38 HydrophobicContact CG2-CE1 4.04Å; V5-L177 HydrophobicContact CG2-CD2 3.97Å; V5-F178 HydrophobicContact CG1-CE1 4.36Å; V5-M222 HydrophobicContact CG1-SD 3.87Å; V5-V230 HydrophobicContact CG1-CG1 4.05Å; V5-V230 HydrophobicContact CG1-CG2 4.42Å
6	K	98.6	Very high	97.1	Very high	39 Å²	39	46.1 Å²	46.1	17%	0.17	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	131.7	178.1	-177.4	176.6	-175.8	174.1	0	108.4	N8 I9 D159 V161 D221 M222	K6-N8 PolarHBondContact O-N 3.47Å; K6-N8 VanDerWaalsContact O-N 3.13Å; K6-I9 HydrophobicContact CB-CD1 4.36Å; K6-I9 VanDerWaalsContact O-CB 3.28Å; K6-I9 WeakPolarHBondContact O-CB 3.49Å; K6-I9 VanDerWaalsContact O-CG1 3.29Å; K6-I9 WeakPolarHBondContact O-CG1 3.39Å; K6-I9 PolarHBondContact O-N 2.81Å; K6-D159 HydrophobicContact CD-CB 4.39Å; K6-D159 WeakPolarHBondContact CE-O 3.32Å; K6-D159 PolarHBondContact NZ-O 2.74Å; K6-V161 HydrophobicContact CD-CG2 4.21Å; K6-D221 VanDerWaalsContact NZ-CB 3.27Å; K6-D221 IonicContact NZ-OD2 3.55Å; K6-D221 PolarHBondContact NZ-OD2 3.25Å; K6-M222 HydrophobicContact CB-CE 3.93Å; K6-M222 HydrophobicContact CB-SD 3.93Å; K6-M222 HydrophobicContact CD-CE 4.06Å; K6-M222 HydrophobicContact CD-SD 4.22Å; K6-M222 HydrophobicContact CG-CE 4.28Å
7	N	98.4	Very high	97.2	Very high	97 Å²	97	50.8 Å²	50.8	52%	0.519	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	-118.3	178.7	-61	-28.7	0	0	0	111.9	I9 D159	N7-I9 VanDerWaalsContact C-N 3.34Å; N7-D159 PolarHBondContact ND2-OD1 3.12Å
8	N	98.7	Very high	97.3	Very high	66 Å²	66	57.5 Å²	57.5	35%	0.353	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	19.8	-178.1	-56.9	-42	0	0	0	113.2	K6 H10 I40 R41 E42	K6-N8 PolarHBondContact O-N 3.47Å; K6-N8 VanDerWaalsContact O-N 3.13Å; N8-H10 PolarHBondContact O-CD2 3.22Å; N8-H10 VanDerWaalsContact O-CD2 3.31Å; N8-I40 WeakPolarHBondContact O-CA 3.45Å; N8-R41 HydrophobicContact CB-CB 4.4Å; N8-R41 WeakPolarHBondContact CB-O 3.2Å; N8-R41 PolarHBondContact O-N 3.31Å; N8-E42 PolarHBondContact ND2-OE1 3.45Å; N8-E42 PolarHBondContact ND2-OE2 2.57Å
9	I	98.9	Very high	97.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.8	175.8	-49.7	168.8	0	0	0	107.8	V5 K6 N7 Y38 I40 L156 D159 V161 F163	V5-I9 HydrophobicContact CB-CB 4.16Å; V5-I9 HydrophobicContact CB-CG2 3.97Å; V5-I9 HydrophobicContact CG1-CG2 4.47Å; V5-I9 HydrophobicContact CG2-CG2 4.22Å; V5-I9 PolarHBondContact N-O 3.44Å; K6-I9 HydrophobicContact CB-CD1 4.36Å; K6-I9 VanDerWaalsContact O-CB 3.28Å; K6-I9 WeakPolarHBondContact O-CB 3.49Å; K6-I9 VanDerWaalsContact O-CG1 3.29Å; K6-I9 WeakPolarHBondContact O-CG1 3.39Å; K6-I9 PolarHBondContact O-N 2.81Å; N7-I9 VanDerWaalsContact C-N 3.34Å; I9-Y38 HydrophobicContact CG2-CD1 4.41Å; I9-I40 HydrophobicContact CG1-CG1 4.38Å; I9-I40 HydrophobicContact CG2-CG1 4.41Å; I9-L156 HydrophobicContact CD1-CD2 3.64Å; I9-L156 HydrophobicContact CG1-CD2 3.98Å; I9-D159 HydrophobicContact CD1-CB 4.05Å; I9-V161 HydrophobicContact CD1-CB 4.15Å; I9-V161 HydrophobicContact CD1-CG2 3.61Å; I9-F163 HydrophobicContact CD1-CZ 4.3Å; I9-F163 HydrophobicContact CG2-CE1 4.07Å; I9-F163 HydrophobicContact CG2-CZ 3.9Å
10	H	98.9	Very high	97.4	Very high	28 Å²	28	57.7 Å²	57.7	13%	0.13	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.2	-178.5	-59.8	-102.6	0	0	0	109.7	I3 N8 V12 Y38 L39 E66	I3-H10 CarbonylContact O-C 3.56Å; N8-H10 PolarHBondContact O-CD2 3.22Å; N8-H10 VanDerWaalsContact O-CD2 3.31Å; H10-V12 HydrophobicContact CB-CG1 4.4Å; H10-V12 PolarHBondContact O-N 2.94Å; H10-Y38 CarbonylContact O-C 3.58Å; H10-Y38 WeakPolarHBondContact O-CA 3.36Å; H10-L39 HydrophobicContact CB-CB 4.45Å; H10-L39 PolarHBondContact N-O 2.92Å; H10-L39 PolarHBondContact O-N 3.34Å; H10-E66 IonicContact CE1-OE1 3.91Å; H10-E66 IonicContact CG-OE1 2.71Å; H10-E66 IonicContact ND1-OE1 3.47Å; H10-E66 PolarHBondContact ND1-OE1 3.11Å
11	W	98.9	Very high	97.4	Very high	8 Å²	8	58.1 Å²	58.1	3%	0.03	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	121.6	165.5	180	91.6	0	0	0	108.6	S2 I3 V5 G13 R15 N36 Y38 L177	S2-W11 WeakPolarHBondContact CA-O 3.43Å; S2-W11 VanDerWaalsContact CB-O 3.32Å; S2-W11 WeakPolarHBondContact CB-O 3.21Å; I3-W11 HydrophobicContact CB-CB 4.35Å; I3-W11 HydrophobicContact CB-CE3 4.46Å; I3-W11 HydrophobicContact CD1-CE3 4.25Å; I3-W11 HydrophobicContact CG1-CE3 4.38Å; I3-W11 PolarHBondContact N-O 3.44Å; I3-W11 VanDerWaalsContact N-O 3.08Å; I3-W11 PolarHBondContact O-N 3.26Å; V5-W11 HydrophobicContact CG2-CB 3.87Å; W11-G13 VanDerWaalsContact CH2-O 3.3Å; W11-G13 WeakPolarHBondContact CH2-O 3.37Å; W11-R15 HydrophobicContact CH2-CG 4.34Å; W11-N36 VanDerWaalsContact NE1-CG 3.35Å; W11-N36 PolarHBondContact NE1-OD1 2.92Å; W11-Y38 HydrophobicContact CB-CD1 4.44Å; W11-Y38 HydrophobicContact CB-CE1 4.45Å; W11-Y38 AromaticContact CD1-CE1 3.84Å; W11-L177 HydrophobicContact CB-CD2 3.72Å; W11-L177 HydrophobicContact CD2-CD1 4.41Å; W11-L177 HydrophobicContact CG-CD1 4.06Å; W11-L177 HydrophobicContact CG-CD2 3.96Å
12	V	98.9	Very high	98.4	Very high	9 Å²	9	48.9 Å²	48.9	6%	0.055	24%	0.238	C	C	.	.			trans	-123.7	24.7	180	-66.4	0	0	0	0	111	H10 S37 L39 L47 F59 L63 E66	H10-V12 HydrophobicContact CB-CG1 4.4Å; H10-V12 PolarHBondContact O-N 2.94Å; V12-S37 WeakPolarHBondContact CG2-O 3.5Å; V12-S37 PolarHBondContact N-O 3.25Å; V12-L39 HydrophobicContact CG1-CB 4.06Å; V12-L39 HydrophobicContact CG2-CB 4.15Å; V12-L47 HydrophobicContact CG2-CD1 3.98Å; V12-F59 HydrophobicContact CG2-CE2 4.45Å; V12-L63 HydrophobicContact CG1-CD1 4.5Å; V12-L63 HydrophobicContact CG2-CD1 4.34Å; V12-E66 HydrophobicContact CG1-CG 4.17Å
13	G	98.6	Very high	98.4	Very high	8 Å²	8	50.6 Å²	50.6	8%	0.082	24%	0.242	C	C	.	.			trans	-78.3	-162.6	-178.5	0	0	0	0	0	114.7	W11 Y35 S37	W11-G13 VanDerWaalsContact CH2-O 3.3Å; W11-G13 WeakPolarHBondContact CH2-O 3.37Å; G13-Y35 CarbonylContact C-O 3.45Å; G13-Y35 WeakPolarHBondContact CA-O 3.44Å; G13-S37 PolarHBondContact N-O 2.83Å
14	Q	98.7	Very high	98.3	Very high	40 Å²	40	51.5 Å²	51.5	19%	0.187	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	138.6	-177.1	179.2	62.2	57.5	0	0	111.2	S34 Y35 V51 F55	Q14-S34 CarbonylContact O-C 3.59Å; Q14-S34 VanDerWaalsContact O-CA 3.28Å; Q14-S34 WeakPolarHBondContact O-CA 3.37Å; Q14-S34 WeakPolarHBondContact O-CB 3.44Å; Q14-Y35 HydrophobicContact CB-CD2 4.3Å; Q14-Y35 HydrophobicContact CG-CD2 4.42Å; Q14-Y35 PolarHBondContact N-O 2.84Å; Q14-Y35 PolarHBondContact O-N 2.76Å; Q14-V51 HydrophobicContact CB-CB 4.4Å; Q14-V51 HydrophobicContact CB-CG1 4.06Å; Q14-F55 HydrophobicContact CG-CB 3.88Å; Q14-F55 HydrophobicContact CG-CD1 3.74Å; Q14-F55 HydrophobicContact CG-CD2 3.88Å; Q14-F55 HydrophobicContact CG-CE1 4.2Å; Q14-F55 HydrophobicContact CG-CE2 4.34Å; Q14-F55 HydrophobicContact CG-CG 3.56Å; Q14-F55 HydrophobicContact CG-CZ 4.48Å
15	R	98.7	Very high	98.2	Very high	40 Å²	40	51.5 Å²	51.5	15%	0.151	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	137.4	169.8	-70.5	179.9	-174.5	100.3	17.1	110.1	W11 D174 E175	W11-R15 HydrophobicContact CH2-CG 4.34Å; R15-D174 VanDerWaalsContact CD-O 3.3Å; R15-D174 WeakPolarHBondContact CD-O 3.24Å; R15-D174 PolarHBondContact NE-O 2.79Å; R15-E175 WeakPolarHBondContact CD-OE1 3.42Å; R15-E175 VanDerWaalsContact CZ-O 3.3Å; R15-E175 IonicContact CZ-OE2 2.7Å; R15-E175 VanDerWaalsContact CZ-OE2 3.31Å; R15-E175 IonicContact NE-OE2 3.48Å; R15-E175 PolarHBondContact NE-OE2 2.85Å; R15-E175 IonicContact NH1-OE2 3.6Å; R15-E175 PolarHBondContact NH1-OE2 2.9Å; R15-E175 PolarHBondContact NH2-O 3Å
16	D	98.7	Very high	98.2	Very high	10 Å²	10	55.8 Å²	55.8	5%	0.053	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	92.3	174.1	-166.1	-20.3	0	0	0	109.9	E18 V19 G32 S33 Y35 K54 F55	D16-E18 VanDerWaalsContact C-N 3.28Å; D16-E18 PolarHBondContact OD1-N 3.49Å; D16-V19 HydrophobicContact CB-CB 4.34Å; D16-V19 HydrophobicContact CB-CG1 3.84Å; D16-V19 PolarHBondContact OD1-N 3.41Å; D16-V19 WeakPolarHBondContact OD2-CB 3.29Å; D16-G32 CarbonylContact O-C 3.5Å; D16-G32 VanDerWaalsContact O-CA 3.26Å; D16-G32 WeakPolarHBondContact O-CA 3.42Å; D16-S33 CarbonylContact C-O 3.53Å; D16-S33 WeakPolarHBondContact CA-O 3.35Å; D16-S33 PolarHBondContact N-O 2.8Å; D16-S33 PolarHBondContact O-N 2.84Å; D16-S33 VanDerWaalsContact O-O 3.11Å; D16-Y35 HydrophobicContact CB-CE2 3.73Å; D16-K54 IonicContact OD2-NZ 2.71Å; D16-K54 PolarHBondContact OD2-NZ 3.29Å; D16-F55 HydrophobicContact CB-CE2 4.15Å; D16-F55 HydrophobicContact CB-CZ 4.16Å; D16-F55 VanDerWaalsContact OD2-CE2 3.25Å; D16-F55 WeakPolarHBondContact OD2-CE2 3.48Å; D16-F55 WeakPolarHBondContact OD2-CZ 3.41Å
17	W	98.7	Very high	98.2	Very high	127 Å²	127	54.1 Å²	54.1	48%	0.481	27%	0.274	S	S	.	.	S	Bend	trans	-71.4	-24.1	176.6	-72.8	99.7	0	0	0	112.8	R20 C173 E175	W17-R20 PolarHBondContact O-NH1 2.74Å; W17-R20 PolarHBondContact O-NH2 2.75Å; W17-C173 HydrophobicContact CD2-CB 4.24Å; W17-C173 VanDerWaalsContact CD2-SG 3.58Å; W17-C173 VanDerWaalsContact CE2-SG 3.55Å; W17-C173 HydrophobicContact CE3-CB 4.2Å; W17-C173 WeakPolarHBondContact CH2-O 3.35Å; W17-C173 HydrophobicContact CZ3-CB 4.47Å; W17-E175 HydrophobicContact CZ2-CG 4.06Å; W17-E175 PolarHBondContact NE1-OE1 3.08Å
18	E	98.7	Very high	98.2	Very high	171 Å²	171	52.6 Å²	52.6	80%	0.799	26%	0.263	S	S	*	.	S	Bend	trans	-95	-26.9	-169.2	-65.7	-165	172.1	0	0	113.2	D16 R20	D16-E18 VanDerWaalsContact C-N 3.28Å; D16-E18 PolarHBondContact OD1-N 3.49Å; E18-R20 PolarHBondContact O-N 2.74Å; E18-R20 PolarHBondContact O-NH1 3.35Å
19	V	98.5	Very high	98.2	Very high	11 Å²	11	49.4 Å²	49.4	7%	0.067	25%	0.246	C	C	.	.			trans	-55.6	129.4	-179.2	65.1	0	0	0	0	111.2	D16 D21 T29	D16-V19 HydrophobicContact CB-CB 4.34Å; D16-V19 HydrophobicContact CB-CG1 3.84Å; D16-V19 PolarHBondContact OD1-N 3.41Å; D16-V19 WeakPolarHBondContact OD2-CB 3.29Å; V19-D21 WeakPolarHBondContact CG2-O 3.28Å; V19-T29 VanDerWaalsContact C-OG1 3.31Å; V19-T29 VanDerWaalsContact O-O 3.12Å; V19-T29 PolarHBondContact O-OG1 2.82Å; V19-T29 VanDerWaalsContact O-OG1 3.05Å
20	R	98.5	Very high	98.2	Very high	107 Å²	107	54.1 Å²	54.1	40%	0.404	27%	0.271	S	S	.	.			trans	-125.4	-9.2	174.9	-68.7	-63	175.1	-82.6	-1.8	113.3	W17 E18 K28 T29	W17-R20 PolarHBondContact O-NH1 2.74Å; W17-R20 PolarHBondContact O-NH2 2.75Å; E18-R20 PolarHBondContact O-N 2.74Å; E18-R20 PolarHBondContact O-NH1 3.35Å; R20-K28 VanDerWaalsContact O-CA 3.28Å; R20-K28 WeakPolarHBondContact O-CA 3.29Å; R20-K28 WeakPolarHBondContact O-CD 3.38Å; R20-T29 VanDerWaalsContact C-OG1 3.22Å; R20-T29 VanDerWaalsContact CA-OG1 3.22Å; R20-T29 WeakPolarHBondContact CA-OG1 3.23Å; R20-T29 WeakPolarHBondContact CD-O 3.34Å; R20-T29 PolarHBondContact N-OG1 2.95Å; R20-T29 PolarHBondContact O-N 3.32Å; R20-T29 VanDerWaalsContact O-N 3.14Å
21	D	98.6	Very high	98.2	Very high	68 Å²	68	56.8 Å²	56.8	36%	0.364	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	125.6	-169.8	-85.3	-56.3	0	0	0	109.1	V19 G24 T25 K28	V19-D21 WeakPolarHBondContact CG2-O 3.28Å; D21-G24 WeakPolarHBondContact CB-O 3.22Å; D21-T25 WeakPolarHBondContact OD1-CA 3.39Å; D21-K28 VanDerWaalsContact CG-NZ 3.33Å; D21-K28 WeakPolarHBondContact OD1-CD 3.39Å; D21-K28 VanDerWaalsContact OD1-CE 3.31Å; D21-K28 WeakPolarHBondContact OD1-CE 3.2Å; D21-K28 IonicContact OD1-NZ 3.59Å; D21-K28 PolarHBondContact OD1-NZ 3.07Å; D21-K28 IonicContact OD2-NZ 3.8Å; D21-K28 PolarHBondContact OD2-NZ 2.83Å
22	F	96.4	Very high	98.2	Very high	19 Å²	19	56.4 Å²	56.4	8%	0.083	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147.7	177	-142.1	-101	0	0	0	109	G24 E26 Y27 T29 Y35 D83	F22-G24 PolarHBondContact O-N 2.71Å; F22-E26 PolarHBondContact O-N 2.95Å; F22-Y27 HydrophobicContact CB-CD1 4.4Å; F22-Y27 PolarHBondContact N-O 2.94Å; F22-Y27 PolarHBondContact O-N 2.71Å; F22-T29 HydrophobicContact CB-CG2 4.33Å; F22-Y35 HydrophobicContact CE2-CE1 4.16Å; F22-D83 HydrophobicContact CE2-CB 4.19Å; F22-D83 HydrophobicContact CZ-CB 3.64Å; F22-D83 WeakPolarHBondContact CZ-OD2 3.43Å
23	H	94.5	Very high	98.2	Very high	79 Å²	79	56 Å²	56	37%	0.366	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	56.7	-172.1	-60.3	156.3	0	0	0	112.1	T25 E26 E81	H23-T25 PolarHBondContact O-N 2.73Å; H23-E26 HydrophobicContact CB-CB 4.48Å; H23-E26 WeakPolarHBondContact O-CB 3.35Å; H23-E26 WeakPolarHBondContact O-CG 3.28Å; H23-E26 PolarHBondContact O-N 2.71Å; H23-E81 IonicContact CD2-OE1 2.79Å; H23-E81 PolarHBondContact CD2-OE1 3.09Å; H23-E81 VanDerWaalsContact CD2-OE1 3.22Å; H23-E81 IonicContact CE1-OE1 3.79Å; H23-E81 IonicContact NE2-OE1 3.36Å; H23-E81 PolarHBondContact NE2-OE1 3.4Å; H23-E81 IonicContact NE2-OE2 3.08Å
24	G	96.5	Very high	98.2	Very high	64 Å²	64	55.9 Å²	55.9	66%	0.66	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	-101.1	-170.8	0	0	0	0	0	110.9	D21 F22	D21-G24 WeakPolarHBondContact CB-O 3.22Å; F22-G24 PolarHBondContact O-N 2.71Å
25	T	97.9	Very high	98.2	Very high	83 Å²	83	54 Å²	54	51%	0.509	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	14.9	171.9	62.2	0	0	0	0	112.2	D21 H23	D21-T25 WeakPolarHBondContact OD1-CA 3.39Å; H23-T25 PolarHBondContact O-N 2.73Å
26	E	98.4	Very high	98.2	Very high	97 Å²	97	52.2 Å²	52.2	45%	0.453	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-21.6	-171.2	-60.5	-50.5	138.5	0	0	112.6	F22 H23 K295 N296	F22-E26 PolarHBondContact O-N 2.95Å; H23-E26 HydrophobicContact CB-CB 4.48Å; H23-E26 WeakPolarHBondContact O-CB 3.35Å; H23-E26 WeakPolarHBondContact O-CG 3.28Å; H23-E26 PolarHBondContact O-N 2.71Å; E26-K295 WeakPolarHBondContact O-CE 3.43Å; E26-K295 PolarHBondContact O-NZ 3.44Å; E26-K295 IonicContact OE2-NZ 3.6Å; E26-K295 PolarHBondContact OE2-NZ 2.7Å; E26-N296 PolarHBondContact O-ND2 2.99Å; E26-N296 PolarHBondContact O-OD1 3.18Å
27	Y	98.8	Very high	98.2	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.9	172	-170	-73.1	0	0	0	111.2	F22 T29 H171 R193 Y194 N197 I198 N296	F22-Y27 HydrophobicContact CB-CD1 4.4Å; F22-Y27 PolarHBondContact N-O 2.94Å; F22-Y27 PolarHBondContact O-N 2.71Å; Y27-T29 HydrophobicContact CD1-CG2 3.77Å; Y27-T29 HydrophobicContact CE1-CG2 3.78Å; Y27-H171 AromaticContact CD1-CD2 3.92Å; Y27-H171 HydrophobicContact CE1-CB 4.41Å; Y27-H171 AromaticContact CE1-CD2 3.38Å; Y27-H171 WeakPolarHBondContact CE1-CD2 3.26Å; Y27-H171 AromaticContact CZ-CD2 3.73Å; Y27-R193 HydrophobicContact CE2-CG 4.28Å; Y27-R193 WeakPolarHBondContact OH-CG 3.3Å; Y27-Y194 PolarHBondContact OH-N 2.98Å; Y27-N197 HydrophobicContact CD2-CB 3.77Å; Y27-N197 HydrophobicContact CE2-CB 3.8Å; Y27-I198 HydrophobicContact CD2-CD1 4.08Å; Y27-I198 HydrophobicContact CD2-CG1 4.21Å; Y27-I198 HydrophobicContact CE2-CD1 4.16Å; Y27-I198 HydrophobicContact CE2-CG1 4.43Å; Y27-N296 WeakPolarHBondContact CA-OD1 3.22Å
28	K	98.7	Very high	98.3	Very high	65 Å²	65	45.8 Å²	45.8	28%	0.283	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	115.2	176.2	-63.5	-66.4	-173.1	178.6	0	111.8	R20 D21 L30 R193 N296	R20-K28 VanDerWaalsContact O-CA 3.28Å; R20-K28 WeakPolarHBondContact O-CA 3.29Å; R20-K28 WeakPolarHBondContact O-CD 3.38Å; D21-K28 VanDerWaalsContact CG-NZ 3.33Å; D21-K28 WeakPolarHBondContact OD1-CD 3.39Å; D21-K28 VanDerWaalsContact OD1-CE 3.31Å; D21-K28 WeakPolarHBondContact OD1-CE 3.2Å; D21-K28 IonicContact OD1-NZ 3.59Å; D21-K28 PolarHBondContact OD1-NZ 3.07Å; D21-K28 IonicContact OD2-NZ 3.8Å; D21-K28 PolarHBondContact OD2-NZ 2.83Å; K28-L30 HydrophobicContact CB-CD2 4.09Å; K28-L30 HydrophobicContact CB-CG 4.46Å; K28-L30 PolarHBondContact O-N 2.99Å; K28-R193 PolarHBondContact O-NE 3.48Å; K28-R193 PolarHBondContact O-NH2 2.91Å; K28-N296 PolarHBondContact N-OD1 2.77Å
29	T	98.7	Very high	98.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.			trans	-90.1	71.3	177.1	46	0	0	0	0	111.3	V19 R20 F22 Y27 R31 G32 H171	V19-T29 VanDerWaalsContact C-OG1 3.31Å; V19-T29 VanDerWaalsContact O-O 3.12Å; V19-T29 PolarHBondContact O-OG1 2.82Å; V19-T29 VanDerWaalsContact O-OG1 3.05Å; R20-T29 VanDerWaalsContact C-OG1 3.22Å; R20-T29 VanDerWaalsContact CA-OG1 3.22Å; R20-T29 WeakPolarHBondContact CA-OG1 3.23Å; R20-T29 WeakPolarHBondContact CD-O 3.34Å; R20-T29 PolarHBondContact N-OG1 2.95Å; R20-T29 PolarHBondContact O-N 3.32Å; R20-T29 VanDerWaalsContact O-N 3.14Å; F22-T29 HydrophobicContact CB-CG2 4.33Å; Y27-T29 HydrophobicContact CD1-CG2 3.77Å; Y27-T29 HydrophobicContact CE1-CG2 3.78Å; T29-R31 PolarHBondContact O-N 3.05Å; T29-G32 PolarHBondContact O-N 2.89Å; T29-H171 HydrophobicContact CG2-CB 3.57Å
30	L	98.6	Very high	98.3	Very high	98 Å²	98	37.1 Å²	37.1	51%	0.513	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.7	-172.4	-58.2	-178.4	0	0	0	114.4	K28	K28-L30 HydrophobicContact CB-CD2 4.09Å; K28-L30 HydrophobicContact CB-CG 4.46Å; K28-L30 PolarHBondContact O-N 2.99Å
31	R	98.8	Very high	98.3	Very high	84 Å²	84	36 Å²	36	32%	0.317	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	25.8	178	-60.2	-173.4	174.7	-87.2	8.7	113.1	T29 Y172 C173 E186	T29-R31 PolarHBondContact O-N 3.05Å; R31-Y172 HydrophobicContact CB-CD2 4.04Å; R31-C173 WeakPolarHBondContact O-CB 3.38Å; R31-C173 PolarHBondContact O-N 3.41Å; R31-E186 IonicContact CZ-OE1 3.38Å; R31-E186 IonicContact CZ-OE2 2.78Å; R31-E186 IonicContact NH1-OE1 3.68Å; R31-E186 PolarHBondContact NH1-OE1 3.3Å; R31-E186 IonicContact NH1-OE2 2.8Å; R31-E186 PolarHBondContact NH1-OE2 3.03Å; R31-E186 VanDerWaalsContact NH2-CD 3.29Å; R31-E186 IonicContact NH2-OE1 2.65Å; R31-E186 PolarHBondContact NH2-OE1 3.27Å
32	G	98.7	Very high	98.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.			trans	65.7	-162.1	-174.3	0	0	0	0	0	112.5	D16 T29 H171	D16-G32 CarbonylContact O-C 3.5Å; D16-G32 VanDerWaalsContact O-CA 3.26Å; D16-G32 WeakPolarHBondContact O-CA 3.42Å; T29-G32 PolarHBondContact O-N 2.89Å; G32-H171 CarbonylContact O-C 3.11Å
33	S	98.8	Very high	98.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	-180	174.8	-168	0	0	0	0	110.4	D16 H171 C173	D16-S33 CarbonylContact C-O 3.53Å; D16-S33 WeakPolarHBondContact CA-O 3.35Å; D16-S33 PolarHBondContact N-O 2.8Å; D16-S33 PolarHBondContact O-N 2.84Å; D16-S33 VanDerWaalsContact O-O 3.11Å; S33-H171 PolarHBondContact OG-ND1 3.04Å; S33-C173 WeakPolarHBondContact O-CB 3.1Å; S33-C173 PolarHBondContact O-SG 3.02Å
34	S	98.9	Very high	98.6	Very high	7 Å²	7	38.1 Å²	38.1	5%	0.049	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	157.7	163.5	55.9	0	0	0	0	109.8	Q14 N36 H227 G228	Q14-S34 CarbonylContact O-C 3.59Å; Q14-S34 VanDerWaalsContact O-CA 3.28Å; Q14-S34 WeakPolarHBondContact O-CA 3.37Å; Q14-S34 WeakPolarHBondContact O-CB 3.44Å; S34-N36 PolarHBondContact OG-OD1 2.9Å; S34-H227 PolarHBondContact O-ND1 2.81Å; S34-G228 VanDerWaalsContact OG-CA 3.32Å; S34-G228 WeakPolarHBondContact OG-CA 3.5Å; S34-G228 PolarHBondContact OG-N 2.91Å
35	Y	98.9	Very high	98.7	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	101.5	178.1	-45.7	-75.7	0	0	0	107.4	G13 Q14 D16 F22 D52 K54 F55 D83 S226	G13-Y35 CarbonylContact C-O 3.45Å; G13-Y35 WeakPolarHBondContact CA-O 3.44Å; Q14-Y35 HydrophobicContact CB-CD2 4.3Å; Q14-Y35 HydrophobicContact CG-CD2 4.42Å; Q14-Y35 PolarHBondContact N-O 2.84Å; Q14-Y35 PolarHBondContact O-N 2.76Å; D16-Y35 HydrophobicContact CB-CE2 3.73Å; F22-Y35 HydrophobicContact CE2-CE1 4.16Å; Y35-D52 HydrophobicContact CD1-CB 3.86Å; Y35-D52 HydrophobicContact CD2-CB 3.87Å; Y35-D52 HydrophobicContact CE1-CB 3.58Å; Y35-D52 HydrophobicContact CE2-CB 3.6Å; Y35-D52 HydrophobicContact CG-CB 3.97Å; Y35-D52 PolarHBondContact OH-OD2 2.81Å; Y35-K54 PolarHBondContact OH-NZ 3.39Å; Y35-F55 HydrophobicContact CD2-CD2 4.25Å; Y35-F55 HydrophobicContact CD2-CE2 4.42Å; Y35-F55 AromaticContact CE2-CD2 3.89Å; Y35-F55 HydrophobicContact CE2-CD2 3.89Å; Y35-F55 AromaticContact CE2-CE2 3.7Å; Y35-F55 HydrophobicContact CE2-CE2 3.7Å; Y35-D83 HydrophobicContact CD1-CB 4.05Å; Y35-D83 WeakPolarHBondContact CD1-O 3.29Å; Y35-D83 HydrophobicContact CE1-CB 3.82Å; Y35-S226 CarbonylContact C-O 3.56Å; Y35-S226 WeakPolarHBondContact CA-O 3.22Å
36	N	98.9	Very high	98.8	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	15%	0.146	C	C	.	.			trans	-91.1	116.2	-171	-59.8	-24.5	0	0	0	109.8	W11 S34 Y38 T225 S226 G228	W11-N36 VanDerWaalsContact NE1-CG 3.35Å; W11-N36 PolarHBondContact NE1-OD1 2.92Å; S34-N36 PolarHBondContact OG-OD1 2.9Å; N36-Y38 HydrophobicContact CB-CE2 3.89Å; N36-Y38 WeakPolarHBondContact CB-OH 3.49Å; N36-T225 WeakPolarHBondContact CB-O 3.11Å; N36-T225 PolarHBondContact ND2-O 2.97Å; N36-S226 WeakPolarHBondContact CB-O 3.42Å; N36-S226 PolarHBondContact N-O 3.27Å; N36-G228 PolarHBondContact ND2-O 3.4Å
37	S	98.9	Very high	98.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.125	C	C	.	.			trans	-114.4	149	167.7	173.7	0	0	0	0	108.8	V12 G13 L47 I48 D49 T50	V12-S37 WeakPolarHBondContact CG2-O 3.5Å; V12-S37 PolarHBondContact N-O 3.25Å; G13-S37 PolarHBondContact N-O 2.83Å; S37-L47 WeakPolarHBondContact OG-CD1 3.45Å; S37-I48 WeakPolarHBondContact CA-O 3.44Å; S37-I48 PolarHBondContact OG-O 2.78Å; S37-D49 PolarHBondContact OG-O 3.15Å; S37-T50 WeakPolarHBondContact CB-O 3.16Å
38	Y	99	Very high	98.8	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.4	-174	-54.6	-86.3	0	0	0	111.5	V5 I9 H10 W11 N36 L47 I48 F163 A224 T225 V230	V5-Y38 HydrophobicContact CG2-CD1 4.02Å; V5-Y38 HydrophobicContact CG2-CE1 4.04Å; I9-Y38 HydrophobicContact CG2-CD1 4.41Å; H10-Y38 CarbonylContact O-C 3.58Å; H10-Y38 WeakPolarHBondContact O-CA 3.36Å; W11-Y38 HydrophobicContact CB-CD1 4.44Å; W11-Y38 HydrophobicContact CB-CE1 4.45Å; W11-Y38 AromaticContact CD1-CE1 3.84Å; N36-Y38 HydrophobicContact CB-CE2 3.89Å; N36-Y38 WeakPolarHBondContact CB-OH 3.49Å; Y38-L47 CarbonylContact O-C 3.57Å; Y38-L47 WeakPolarHBondContact O-CA 3.44Å; Y38-I48 PolarHBondContact N-O 2.79Å; Y38-I48 PolarHBondContact O-N 3.48Å; Y38-F163 HydrophobicContact CD1-CD1 4.48Å; Y38-F163 HydrophobicContact CD1-CE1 4Å; Y38-F163 AromaticContact CD2-CD1 3.59Å; Y38-F163 HydrophobicContact CD2-CD1 3.59Å; Y38-F163 AromaticContact CD2-CE1 3.85Å; Y38-F163 HydrophobicContact CD2-CE1 3.85Å; Y38-F163 AromaticContact CE2-CD1 3.99Å; Y38-F163 HydrophobicContact CE2-CD1 3.99Å; Y38-F163 HydrophobicContact CE2-CE1 4.44Å; Y38-F163 AromaticContact CG-CD1 3.86Å; Y38-F163 HydrophobicContact CG-CD1 3.86Å; Y38-F163 AromaticContact CG-CE1 3.59Å; Y38-F163 HydrophobicContact CG-CE1 3.59Å; Y38-A224 HydrophobicContact CE1-CB 3.9Å; Y38-A224 HydrophobicContact CE2-CB 4.16Å; Y38-T225 PolarHBondContact OH-O 2.97Å; Y38-V230 HydrophobicContact CE1-CG2 4.2Å
39	L	98.9	Very high	98.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.2	172.1	179.4	67.5	0	0	0	109.4	H10 V12 R41 V46 L63 E66 I67	H10-L39 HydrophobicContact CB-CB 4.45Å; H10-L39 PolarHBondContact N-O 2.92Å; H10-L39 PolarHBondContact O-N 3.34Å; V12-L39 HydrophobicContact CG1-CB 4.06Å; V12-L39 HydrophobicContact CG2-CB 4.15Å; L39-R41 HydrophobicContact CD2-CG 4.1Å; L39-R41 HydrophobicContact CG-CG 3.92Å; L39-V46 WeakPolarHBondContact CA-O 3.43Å; L39-L63 HydrophobicContact CD2-CD1 4.28Å; L39-E66 HydrophobicContact CD2-CB 4.48Å; L39-E66 HydrophobicContact CD2-CG 3.78Å; L39-I67 HydrophobicContact CD2-CB 4.06Å; L39-I67 HydrophobicContact CD2-CD1 4.43Å; L39-I67 HydrophobicContact CD2-CG2 3.77Å
40	I	98.9	Very high	98.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.3	175.6	-54.7	165.6	0	0	0	108.3	N8 I9 E42 N45 V46 I48 I132 L138 L156 F163	N8-I40 WeakPolarHBondContact O-CA 3.45Å; I9-I40 HydrophobicContact CG1-CG1 4.38Å; I9-I40 HydrophobicContact CG2-CG1 4.41Å; I40-E42 HydrophobicContact CG2-CG 4.07Å; I40-N45 CarbonylContact O-C 3.58Å; I40-N45 VanDerWaalsContact O-CA 3.28Å; I40-N45 WeakPolarHBondContact O-CA 3.45Å; I40-V46 HydrophobicContact CB-CB 4.46Å; I40-V46 PolarHBondContact N-O 2.84Å; I40-V46 PolarHBondContact O-N 3.08Å; I40-I48 HydrophobicContact CD1-CD1 3.54Å; I40-I48 HydrophobicContact CD1-CG1 4.3Å; I40-I48 HydrophobicContact CG1-CD1 4.49Å; I40-I132 HydrophobicContact CG2-CD1 3.71Å; I40-L138 HydrophobicContact CD1-CD2 3.96Å; I40-L156 HydrophobicContact CD1-CD2 4.11Å; I40-L156 HydrophobicContact CG2-CD2 4.28Å; I40-F163 HydrophobicContact CD1-CE2 3.92Å; I40-F163 HydrophobicContact CD1-CZ 3.95Å; I40-F163 HydrophobicContact CG1-CZ 4.32Å
41	R	98.8	Very high	98.8	Very high	83 Å²	83	19.9 Å²	19.9	31%	0.313	9%	0.086	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	82.6	-175.2	-56.5	-178.1	72.8	160.5	6.8	111.7	N8 L39 E66	N8-R41 HydrophobicContact CB-CB 4.4Å; N8-R41 WeakPolarHBondContact CB-O 3.2Å; N8-R41 PolarHBondContact O-N 3.31Å; L39-R41 HydrophobicContact CD2-CG 4.1Å; L39-R41 HydrophobicContact CG-CG 3.92Å; R41-E66 PolarHBondContact NH1-O 2.83Å
42	E	98.7	Very high	98.8	Very high	24 Å²	24	16.2 Å²	16.2	11%	0.112	7%	0.073	C	C	.	.	S	Bend	trans	-105	-138.9	173.8	-64.9	-62.7	161.9	0	0	110	N8 I40 K44 I132 N134 K136	N8-E42 PolarHBondContact ND2-OE1 3.45Å; N8-E42 PolarHBondContact ND2-OE2 2.57Å; I40-E42 HydrophobicContact CG2-CG 4.07Å; E42-K44 PolarHBondContact N-O 2.97Å; E42-K44 VanDerWaalsContact N-O 3.15Å; E42-K44 PolarHBondContact O-N 3.3Å; E42-I132 HydrophobicContact CB-CB 4.42Å; E42-I132 HydrophobicContact CB-CD1 4.09Å; E42-I132 HydrophobicContact CB-CG1 4.13Å; E42-I132 VanDerWaalsContact CB-O 3.22Å; E42-I132 WeakPolarHBondContact CB-O 3.45Å; E42-I132 HydrophobicContact CG-CD1 3.69Å; E42-I132 HydrophobicContact CG-CG1 4.16Å; E42-N134 PolarHBondContact OE2-ND2 2.84Å; E42-K136 HydrophobicContact CG-CD 4.21Å; E42-K136 IonicContact OE1-NZ 3.49Å; E42-K136 PolarHBondContact OE1-NZ 3.19Å
43	E	98.6	Very high	98.8	Very high	120 Å²	120	20.2 Å²	20.2	56%	0.561	9%	0.091	S	C	*	.	S	Bend	trans	-71.4	-18.4	168.2	-59.2	179.5	-136.7	0	0	111.9	I132 G133 N134	E43-I132 PolarHBondContact N-O 2.89Å; E43-G133 WeakPolarHBondContact OE1-CA 3.45Å; E43-N134 PolarHBondContact OE1-N 3.11Å
44	K	98.8	Very high	98.8	Very high	66 Å²	66	24.7 Å²	24.7	29%	0.287	11%	0.111	S	C	.	.	S	Bend	trans	-120.1	139.7	169.3	-62.6	-76.1	154.5	-87.9	0	108.9	E42 D73 Y74 I132	E42-K44 PolarHBondContact N-O 2.97Å; E42-K44 VanDerWaalsContact N-O 3.15Å; E42-K44 PolarHBondContact O-N 3.3Å; K44-D73 VanDerWaalsContact CA-OD2 3.29Å; K44-D73 WeakPolarHBondContact CA-OD2 3.3Å; K44-D73 HydrophobicContact CB-CB 4.25Å; K44-D73 HydrophobicContact CD-CB 3.8Å; K44-D73 VanDerWaalsContact CD-CG 3.45Å; K44-D73 WeakPolarHBondContact CD-OD1 3.37Å; K44-D73 IonicContact NZ-OD1 3.91Å; K44-Y74 HydrophobicContact CB-CD2 4.22Å; K44-Y74 HydrophobicContact CB-CE2 3.79Å; K44-Y74 HydrophobicContact CD-CE2 3.81Å; K44-Y74 HydrophobicContact CG-CE2 3.73Å; K44-I132 HydrophobicContact CB-CB 4.08Å; K44-I132 HydrophobicContact CB-CG2 4.32Å; K44-I132 PolarHBondContact N-O 3.23Å
45	N	98.9	Very high	98.8	Very high	27 Å²	27	26.3 Å²	26.3	14%	0.144	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.1	173.7	-56.6	-69.1	0	0	0	109.3	I40 I67 D71 D73 Y74	I40-N45 CarbonylContact O-C 3.58Å; I40-N45 VanDerWaalsContact O-CA 3.28Å; I40-N45 WeakPolarHBondContact O-CA 3.45Å; N45-I67 HydrophobicContact CB-CD1 3.82Å; N45-D71 WeakPolarHBondContact CB-O 3.41Å; N45-D71 PolarHBondContact ND2-O 3.19Å; N45-D73 PolarHBondContact N-OD2 2.81Å; N45-D73 PolarHBondContact O-N 3.13Å; N45-Y74 PolarHBondContact O-N 3.35Å
46	V	99	Very high	98.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.5	-178.3	-171.9	0	0	0	0	110.3	L39 I40 I48 Y74 V76 I132 L138	L39-V46 WeakPolarHBondContact CA-O 3.43Å; I40-V46 HydrophobicContact CB-CB 4.46Å; I40-V46 PolarHBondContact N-O 2.84Å; I40-V46 PolarHBondContact O-N 3.08Å; V46-I48 HydrophobicContact CG1-CG1 4.33Å; V46-Y74 WeakPolarHBondContact CA-O 3.49Å; V46-Y74 HydrophobicContact CG2-CD2 3.75Å; V46-Y74 HydrophobicContact CG2-CG 4.42Å; V46-V76 HydrophobicContact CG1-CG2 3.76Å; V46-I132 HydrophobicContact CG2-CG2 3.59Å; V46-L138 HydrophobicContact CB-CD1 4.41Å; V46-L138 HydrophobicContact CG1-CD1 3.84Å; V46-L138 HydrophobicContact CG2-CD1 4.31Å
47	L	99	Very high	98.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.4	168.1	-175.4	69.8	0	0	0	109.1	V12 S37 Y38 F59 L63 I72 Y74 I75 V76 L91	V12-L47 HydrophobicContact CG2-CD1 3.98Å; S37-L47 WeakPolarHBondContact OG-CD1 3.45Å; Y38-L47 CarbonylContact O-C 3.57Å; Y38-L47 WeakPolarHBondContact O-CA 3.44Å; L47-F59 HydrophobicContact CD1-CZ 4.25Å; L47-F59 HydrophobicContact CD2-CE1 4.41Å; L47-F59 HydrophobicContact CD2-CZ 4.07Å; L47-L63 HydrophobicContact CD1-CD1 4.21Å; L47-L63 HydrophobicContact CD1-CD2 4.36Å; L47-L63 HydrophobicContact CD2-CD2 3.99Å; L47-I72 HydrophobicContact CB-CG2 4.28Å; L47-Y74 PolarHBondContact N-O 3.17Å; L47-I75 HydrophobicContact CB-CG1 4.32Å; L47-I75 HydrophobicContact CD2-CG1 4.47Å; L47-I75 CarbonylContact O-C 3.51Å; L47-I75 WeakPolarHBondContact O-CA 3.19Å; L47-V76 PolarHBondContact O-N 3.37Å; L47-L91 HydrophobicContact CD2-CD2 3.41Å; L47-L91 VanDerWaalsContact CD2-CD2 3.41Å
48	I	99	Very high	98.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.3	174.4	-61.1	178.2	0	0	0	108.4	S37 Y38 I40 V46 V76 N78 T154 F163	S37-I48 WeakPolarHBondContact CA-O 3.44Å; S37-I48 PolarHBondContact OG-O 2.78Å; Y38-I48 PolarHBondContact N-O 2.79Å; Y38-I48 PolarHBondContact O-N 3.48Å; I40-I48 HydrophobicContact CD1-CD1 3.54Å; I40-I48 HydrophobicContact CD1-CG1 4.3Å; I40-I48 HydrophobicContact CG1-CD1 4.49Å; V46-I48 HydrophobicContact CG1-CG1 4.33Å; I48-V76 HydrophobicContact CG1-CB 4.12Å; I48-V76 HydrophobicContact CG1-CG2 4.46Å; I48-N78 VanDerWaalsContact CG2-ND2 3.27Å; I48-N78 WeakPolarHBondContact CG2-ND2 3.45Å; I48-T154 HydrophobicContact CD1-CG2 4.3Å; I48-F163 HydrophobicContact CD1-CB 4.33Å; I48-F163 HydrophobicContact CD1-CD1 3.98Å; I48-F163 HydrophobicContact CD1-CD2 3.42Å; I48-F163 VanDerWaalsContact CD1-CD2 3.42Å; I48-F163 HydrophobicContact CD1-CE1 4.11Å; I48-F163 HydrophobicContact CD1-CE2 3.58Å; I48-F163 HydrophobicContact CD1-CG 3.63Å; I48-F163 HydrophobicContact CD1-CZ 3.92Å; I48-F163 HydrophobicContact CG2-CB 4.24Å; I48-F163 HydrophobicContact CG2-CG 4.41Å
49	D	98.9	Very high	98.7	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.011	17%	0.17	C	C	.	.			trans	55	174.9	-176.1	-59.7	-37.1	0	0	0	113.1	S37 V76 N78 N165	S37-D49 PolarHBondContact OG-O 3.15Å; D49-V76 PolarHBondContact N-O 3.45Å; D49-N78 PolarHBondContact OD1-N 3.03Å; D49-N78 PolarHBondContact OD2-ND2 3.23Å; D49-N165 PolarHBondContact OD2-ND2 3.04Å
50	T	98.9	Very high	98.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.171	C	C	.	.			trans	-122.9	-140.2	173.4	75.3	0	0	0	0	109.7	S37 F59 H84 A85 A87 L88 L91	S37-T50 WeakPolarHBondContact CB-O 3.16Å; T50-F59 HydrophobicContact CG2-CE1 3.86Å; T50-F59 HydrophobicContact CG2-CZ 4.14Å; T50-H84 CarbonylContact C-O 3.51Å; T50-H84 WeakPolarHBondContact CA-O 3.37Å; T50-H84 WeakPolarHBondContact CB-O 3.46Å; T50-H84 PolarHBondContact N-O 3.48Å; T50-H84 PolarHBondContact OG1-O 2.85Å; T50-A85 WeakPolarHBondContact OG1-CA 3.3Å; T50-A87 PolarHBondContact OG1-N 3.15Å; T50-L88 HydrophobicContact CG2-CD1 4.37Å; T50-L91 HydrophobicContact CG2-CD2 4.49Å
51	V	98.9	Very high	98.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	19%	0.194	C	C	.	.			trans	-137.5	176	177.4	-57.1	0	0	0	0	110	Q14 F55 F59 D83 G86 A87	Q14-V51 HydrophobicContact CB-CB 4.4Å; Q14-V51 HydrophobicContact CB-CG1 4.06Å; V51-F55 HydrophobicContact CG2-CB 4.11Å; V51-F59 HydrophobicContact CB-CD2 4.44Å; V51-F59 HydrophobicContact CG1-CD2 3.71Å; V51-F59 HydrophobicContact CG1-CE2 4.1Å; V51-F59 HydrophobicContact CG1-CG 4.37Å; V51-F59 HydrophobicContact CG2-CB 3.49Å; V51-F59 VanDerWaalsContact CG2-CB 3.49Å; V51-F59 HydrophobicContact CG2-CD1 4.49Å; V51-F59 HydrophobicContact CG2-CD2 3.93Å; V51-F59 HydrophobicContact CG2-CG 3.73Å; V51-D83 CarbonylContact C-O 3.56Å; V51-D83 VanDerWaalsContact C-O 3.32Å; V51-G86 PolarHBondContact O-N 3.27Å; V51-A87 HydrophobicContact CG2-CB 4.05Å; V51-A87 PolarHBondContact O-N 2.99Å; V51-A87 VanDerWaalsContact O-N 3.09Å
52	D	98.7	Very high	98.7	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.032	20%	0.195	C	C	.	.			trans	-54.4	139	174.6	-174.9	-57.7	0	0	0	113.3	Y35 K54 F55 E82 D83	Y35-D52 HydrophobicContact CD1-CB 3.86Å; Y35-D52 HydrophobicContact CD2-CB 3.87Å; Y35-D52 HydrophobicContact CE1-CB 3.58Å; Y35-D52 HydrophobicContact CE2-CB 3.6Å; Y35-D52 HydrophobicContact CG-CB 3.97Å; Y35-D52 PolarHBondContact OH-OD2 2.81Å; D52-K54 PolarHBondContact O-N 3.13Å; D52-K54 VanDerWaalsContact OD1-CB 3.27Å; D52-K54 WeakPolarHBondContact OD1-CB 3.49Å; D52-K54 WeakPolarHBondContact OD1-CE 3.08Å; D52-K54 VanDerWaalsContact OD1-CG 3.26Å; D52-K54 WeakPolarHBondContact OD1-CG 3.45Å; D52-K54 PolarHBondContact OD1-N 2.85Å; D52-K54 WeakPolarHBondContact OD2-CE 3.41Å; D52-K54 IonicContact OD2-NZ 3.31Å; D52-F55 HydrophobicContact CB-CD2 4.31Å; D52-F55 PolarHBondContact O-N 3.18Å; D52-E82 WeakPolarHBondContact CA-O 3.3Å; D52-D83 HydrophobicContact CB-CB 4.3Å; D52-D83 PolarHBondContact N-O 3.22Å
53	H	98.2	Very high	98.7	Very high	84 Å²	84	41.4 Å²	41.4	39%	0.389	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-52.2	-30.2	-177.9	71.2	-90.5	0	0	0	113.3	F55 S56 E82	H53-F55 PolarHBondContact O-N 3.49Å; H53-S56 WeakPolarHBondContact O-CB 3.44Å; H53-S56 PolarHBondContact O-N 3.48Å; H53-S56 PolarHBondContact O-OG 3Å; H53-E82 IonicContact CE1-OE1 2.79Å; H53-E82 IonicContact CE1-OE2 3.48Å; H53-E82 PolarHBondContact N-O 2.99Å; H53-E82 IonicContact ND1-OE2 2.66Å
54	K	98.4	Very high	98.7	Very high	94 Å²	94	40.4 Å²	40.4	41%	0.409	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-58.5	-26.4	176.1	-69.3	175.2	-71.4	162.4	0	113.1	D16 Y35 D52	D16-K54 IonicContact OD2-NZ 2.71Å; D16-K54 PolarHBondContact OD2-NZ 3.29Å; Y35-K54 PolarHBondContact OH-NZ 3.39Å; D52-K54 PolarHBondContact O-N 3.13Å; D52-K54 VanDerWaalsContact OD1-CB 3.27Å; D52-K54 WeakPolarHBondContact OD1-CB 3.49Å; D52-K54 WeakPolarHBondContact OD1-CE 3.08Å; D52-K54 VanDerWaalsContact OD1-CG 3.26Å; D52-K54 WeakPolarHBondContact OD1-CG 3.45Å; D52-K54 PolarHBondContact OD1-N 2.85Å; D52-K54 WeakPolarHBondContact OD2-CE 3.41Å; D52-K54 IonicContact OD2-NZ 3.31Å
55	F	98.6	Very high	98.6	Very high	41 Å²	41	42.8 Å²	42.8	18%	0.18	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-115.8	18.3	-175.8	-57	-81.6	0	0	0	112.7	Q14 D16 Y35 V51 D52 H53 R57 E58 F59	Q14-F55 HydrophobicContact CG-CB 3.88Å; Q14-F55 HydrophobicContact CG-CD1 3.74Å; Q14-F55 HydrophobicContact CG-CD2 3.88Å; Q14-F55 HydrophobicContact CG-CE1 4.2Å; Q14-F55 HydrophobicContact CG-CE2 4.34Å; Q14-F55 HydrophobicContact CG-CG 3.56Å; Q14-F55 HydrophobicContact CG-CZ 4.48Å; D16-F55 HydrophobicContact CB-CE2 4.15Å; D16-F55 HydrophobicContact CB-CZ 4.16Å; D16-F55 VanDerWaalsContact OD2-CE2 3.25Å; D16-F55 WeakPolarHBondContact OD2-CE2 3.48Å; D16-F55 WeakPolarHBondContact OD2-CZ 3.41Å; Y35-F55 HydrophobicContact CD2-CD2 4.25Å; Y35-F55 HydrophobicContact CD2-CE2 4.42Å; Y35-F55 AromaticContact CE2-CD2 3.89Å; Y35-F55 HydrophobicContact CE2-CD2 3.89Å; Y35-F55 AromaticContact CE2-CE2 3.7Å; Y35-F55 HydrophobicContact CE2-CE2 3.7Å; V51-F55 HydrophobicContact CG2-CB 4.11Å; D52-F55 HydrophobicContact CB-CD2 4.31Å; D52-F55 PolarHBondContact O-N 3.18Å; H53-F55 PolarHBondContact O-N 3.49Å; F55-R57 PolarHBondContact O-N 3.45Å; F55-E58 PolarHBondContact O-N 2.87Å; F55-F59 VanDerWaalsContact O-CB 3.28Å; F55-F59 WeakPolarHBondContact O-CB 3.28Å; F55-F59 PolarHBondContact O-N 3.21Å
56	S	98.5	Very high	98.6	Very high	27 Å²	27	43.8 Å²	43.8	19%	0.189	20%	0.201	C	C	.	.	H	α-helix	trans	-52.7	-48.8	-178.3	44.9	0	0	0	0	113.3	H53 F59 V60 E90	H53-S56 WeakPolarHBondContact O-CB 3.44Å; H53-S56 PolarHBondContact O-N 3.48Å; H53-S56 PolarHBondContact O-OG 3Å; S56-F59 WeakPolarHBondContact O-CB 3.46Å; S56-F59 PolarHBondContact O-N 3.01Å; S56-V60 WeakPolarHBondContact O-CG2 3.36Å; S56-V60 PolarHBondContact O-N 2.84Å; S56-E90 WeakPolarHBondContact CB-OE2 3.49Å; S56-E90 PolarHBondContact OG-OE2 2.96Å
57	R	98.4	Very high	98.6	Very high	161 Å²	161	44.1 Å²	44.1	61%	0.608	20%	0.203	S	C	*	.	H	α-helix	trans	-67.3	-45.3	179.9	-171.3	-171	65.4	154.4	1.9	112.5	F55 F59 V60 Q61 E90	F55-R57 PolarHBondContact O-N 3.45Å; R57-F59 VanDerWaalsContact C-N 3.28Å; R57-F59 PolarHBondContact O-N 2.83Å; R57-V60 PolarHBondContact O-N 2.66Å; R57-Q61 WeakPolarHBondContact O-CB 3.45Å; R57-Q61 PolarHBondContact O-N 3.41Å; R57-E90 VanDerWaalsContact CA-OE1 3.3Å; R57-E90 WeakPolarHBondContact CA-OE1 3.42Å; R57-E90 WeakPolarHBondContact CA-OE2 3.49Å; R57-E90 PolarHBondContact N-OE2 3.33Å
58	E	98.4	Very high	98.6	Very high	68 Å²	68	48.7 Å²	48.7	32%	0.318	23%	0.227	S	C	.	.	H	α-helix	trans	-59.3	-42.2	176.1	-73	67.3	-151.7	0	0	110.5	F55 Q61 N62	F55-E58 PolarHBondContact O-N 2.87Å; E58-Q61 PolarHBondContact O-N 2.75Å; E58-N62 VanDerWaalsContact O-CB 3.23Å; E58-N62 WeakPolarHBondContact O-CB 3.49Å; E58-N62 PolarHBondContact O-N 3.26Å; E58-N62 PolarHBondContact O-ND2 3.44Å; E58-N62 VanDerWaalsContact O-ND2 3.17Å
59	F	98.7	Very high	98.6	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.013	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-54	177.2	176.3	-107.4	0	0	0	112.3	V12 L47 T50 V51 F55 S56 R57 Q61 N62 L63 A87 L91	V12-F59 HydrophobicContact CG2-CE2 4.45Å; L47-F59 HydrophobicContact CD1-CZ 4.25Å; L47-F59 HydrophobicContact CD2-CE1 4.41Å; L47-F59 HydrophobicContact CD2-CZ 4.07Å; T50-F59 HydrophobicContact CG2-CE1 3.86Å; T50-F59 HydrophobicContact CG2-CZ 4.14Å; V51-F59 HydrophobicContact CB-CD2 4.44Å; V51-F59 HydrophobicContact CG1-CD2 3.71Å; V51-F59 HydrophobicContact CG1-CE2 4.1Å; V51-F59 HydrophobicContact CG1-CG 4.37Å; V51-F59 HydrophobicContact CG2-CB 3.49Å; V51-F59 VanDerWaalsContact CG2-CB 3.49Å; V51-F59 HydrophobicContact CG2-CD1 4.49Å; V51-F59 HydrophobicContact CG2-CD2 3.93Å; V51-F59 HydrophobicContact CG2-CG 3.73Å; F55-F59 VanDerWaalsContact O-CB 3.28Å; F55-F59 WeakPolarHBondContact O-CB 3.28Å; F55-F59 PolarHBondContact O-N 3.21Å; S56-F59 WeakPolarHBondContact O-CB 3.46Å; S56-F59 PolarHBondContact O-N 3.01Å; R57-F59 VanDerWaalsContact C-N 3.28Å; R57-F59 PolarHBondContact O-N 2.83Å; F59-Q61 VanDerWaalsContact C-N 3.28Å; F59-Q61 PolarHBondContact O-N 3.26Å; F59-N62 PolarHBondContact O-N 3.4Å; F59-L63 HydrophobicContact CE1-CD2 4.41Å; F59-L63 HydrophobicContact CZ-CD2 4.39Å; F59-L63 WeakPolarHBondContact O-CB 3.3Å; F59-L63 PolarHBondContact O-N 3.09Å; F59-A87 HydrophobicContact CB-CB 4.31Å; F59-A87 HydrophobicContact CD1-CB 3.63Å; F59-A87 HydrophobicContact CE1-CB 4.29Å; F59-A87 HydrophobicContact CG-CB 4.2Å; F59-L91 HydrophobicContact CE1-CD2 4.36Å
60	V	98.7	Very high	98.5	Very high	6 Å²	6	52.2 Å²	52.2	4%	0.036	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-39.5	-179.7	175.1	0	0	0	0	111	S56 R57 L63 R64 L69 E90 L91	S56-V60 WeakPolarHBondContact O-CG2 3.36Å; S56-V60 PolarHBondContact O-N 2.84Å; R57-V60 PolarHBondContact O-N 2.66Å; V60-L63 PolarHBondContact O-N 2.87Å; V60-R64 WeakPolarHBondContact O-CG 3.47Å; V60-R64 PolarHBondContact O-N 2.96Å; V60-L69 HydrophobicContact CG1-CD1 3.98Å; V60-E90 HydrophobicContact CG2-CB 4.13Å; V60-E90 HydrophobicContact CG2-CG 3.99Å; V60-L91 HydrophobicContact CG2-CB 4.15Å
61	Q	98.6	Very high	98.5	Very high	102 Å²	102	56.5 Å²	56.5	48%	0.477	28%	0.279	S	S	.	.	H	α-helix	trans	-67.6	-40.6	176.5	-176.9	57.9	65.9	0	0	112.7	R57 E58 F59 L63 R64 N65	R57-Q61 WeakPolarHBondContact O-CB 3.45Å; R57-Q61 PolarHBondContact O-N 3.41Å; E58-Q61 PolarHBondContact O-N 2.75Å; F59-Q61 VanDerWaalsContact C-N 3.28Å; F59-Q61 PolarHBondContact O-N 3.26Å; Q61-L63 VanDerWaalsContact C-N 3.34Å; Q61-R64 PolarHBondContact O-N 2.9Å; Q61-N65 PolarHBondContact NE2-OD1 2.77Å; Q61-N65 VanDerWaalsContact O-CG 3.25Å; Q61-N65 PolarHBondContact O-N 3.3Å; Q61-N65 PolarHBondContact O-ND2 3.07Å; Q61-N65 PolarHBondContact O-OD1 3.05Å
62	N	98.3	Very high	98.5	Very high	62 Å²	62	56.7 Å²	56.7	33%	0.332	28%	0.28	S	S	.	.	H	α-helix	trans	-65.8	-39.8	176.5	-74.1	-24.1	0	0	0	111.3	E58 F59 N65 E66	E58-N62 VanDerWaalsContact O-CB 3.23Å; E58-N62 WeakPolarHBondContact O-CB 3.49Å; E58-N62 PolarHBondContact O-N 3.26Å; E58-N62 PolarHBondContact O-ND2 3.44Å; E58-N62 VanDerWaalsContact O-ND2 3.17Å; F59-N62 PolarHBondContact O-N 3.4Å; N62-N65 WeakPolarHBondContact O-CB 3.34Å; N62-N65 PolarHBondContact O-N 3.12Å; N62-N65 VanDerWaalsContact O-N 3.11Å; N62-E66 PolarHBondContact O-N 2.83Å
63	L	98.6	Very high	98.6	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-64.5	-41.4	176.9	-169.5	60.6	0	0	0	111.5	V12 L39 L47 F59 V60 Q61 N65 E66 I67 L69 I72 L91	V12-L63 HydrophobicContact CG1-CD1 4.5Å; V12-L63 HydrophobicContact CG2-CD1 4.34Å; L39-L63 HydrophobicContact CD2-CD1 4.28Å; L47-L63 HydrophobicContact CD1-CD1 4.21Å; L47-L63 HydrophobicContact CD1-CD2 4.36Å; L47-L63 HydrophobicContact CD2-CD2 3.99Å; F59-L63 HydrophobicContact CE1-CD2 4.41Å; F59-L63 HydrophobicContact CZ-CD2 4.39Å; F59-L63 WeakPolarHBondContact O-CB 3.3Å; F59-L63 PolarHBondContact O-N 3.09Å; V60-L63 PolarHBondContact O-N 2.87Å; Q61-L63 VanDerWaalsContact C-N 3.34Å; L63-N65 PolarHBondContact O-N 3.26Å; L63-E66 WeakPolarHBondContact O-CA 3.3Å; L63-E66 WeakPolarHBondContact O-CB 3.35Å; L63-E66 PolarHBondContact O-N 3.42Å; L63-I67 HydrophobicContact CD1-CG2 4.12Å; L63-I67 HydrophobicContact CG-CG2 4.33Å; L63-I67 PolarHBondContact O-N 3.43Å; L63-I67 VanDerWaalsContact O-O 3.12Å; L63-L69 HydrophobicContact CB-CD2 4.16Å; L63-L69 HydrophobicContact CD2-CD2 3.9Å; L63-L69 HydrophobicContact CG-CD2 3.83Å; L63-I72 HydrophobicContact CD2-CD1 3.7Å; L63-I72 HydrophobicContact CG-CD1 4.24Å; L63-L91 HydrophobicContact CD2-CD1 3.99Å; L63-L91 HydrophobicContact CD2-CD2 4.48Å
64	R	98.3	Very high	98.6	Very high	98 Å²	98	56.9 Å²	56.9	37%	0.37	28%	0.281	S	S	.	.	H	α-helix	trans	-58	-29.8	171.6	-76.7	-179.3	-170.4	-76.7	5.7	113.9	V60 Q61 E66 I67 L69 Q94	V60-R64 WeakPolarHBondContact O-CG 3.47Å; V60-R64 PolarHBondContact O-N 2.96Å; Q61-R64 PolarHBondContact O-N 2.9Å; R64-E66 VanDerWaalsContact C-N 3.27Å; R64-I67 CarbonylContact C-O 3.52Å; R64-I67 WeakPolarHBondContact CA-O 3.17Å; R64-L69 HydrophobicContact CG-CD1 3.9Å; R64-L69 HydrophobicContact CG-CD2 3.88Å; R64-L69 HydrophobicContact CG-CG 3.72Å; R64-Q94 VanDerWaalsContact NH2-CD 3.26Å; R64-Q94 VanDerWaalsContact NH2-CG 3.32Å
65	N	98.1	Very high	98.6	Very high	117 Å²	117	52.4 Å²	52.4	63%	0.626	26%	0.261	S	S	*	.	H	α-helix	trans	-76.9	-19	177	-62.2	-27.7	0	0	0	112	Q61 N62 L63	Q61-N65 PolarHBondContact NE2-OD1 2.77Å; Q61-N65 VanDerWaalsContact O-CG 3.25Å; Q61-N65 PolarHBondContact O-N 3.3Å; Q61-N65 PolarHBondContact O-ND2 3.07Å; Q61-N65 PolarHBondContact O-OD1 3.05Å; N62-N65 WeakPolarHBondContact O-CB 3.34Å; N62-N65 PolarHBondContact O-N 3.12Å; N62-N65 VanDerWaalsContact O-N 3.11Å; L63-N65 PolarHBondContact O-N 3.26Å
66	E	98.4	Very high	98.6	Very high	47 Å²	47	50.4 Å²	50.4	22%	0.22	25%	0.253	C	S	.	.	H	α-helix	trans	-95.2	-39	-179.8	-167.3	63.9	-149.6	0	0	112.3	S2 H10 V12 L39 R41 N62 L63 R64	S2-E66 WeakPolarHBondContact CB-OE2 3.34Å; S2-E66 VanDerWaalsContact OG-CD 3.28Å; S2-E66 PolarHBondContact OG-OE2 3.13Å; H10-E66 IonicContact CE1-OE1 3.91Å; H10-E66 IonicContact CG-OE1 2.71Å; H10-E66 IonicContact ND1-OE1 3.47Å; H10-E66 PolarHBondContact ND1-OE1 3.11Å; V12-E66 HydrophobicContact CG1-CG 4.17Å; L39-E66 HydrophobicContact CD2-CB 4.48Å; L39-E66 HydrophobicContact CD2-CG 3.78Å; R41-E66 PolarHBondContact NH1-O 2.83Å; N62-E66 PolarHBondContact O-N 2.83Å; L63-E66 WeakPolarHBondContact O-CA 3.3Å; L63-E66 WeakPolarHBondContact O-CB 3.35Å; L63-E66 PolarHBondContact O-N 3.42Å; R64-E66 VanDerWaalsContact C-N 3.27Å
67	I	98.6	Very high	98.7	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.041	24%	0.244	C	C	.	.	S	Bend	trans	-152.7	152.7	-176.4	-164.5	173.5	0	0	0	110.8	L39 N45 L63 R64 L69 D71 I72	L39-I67 HydrophobicContact CD2-CB 4.06Å; L39-I67 HydrophobicContact CD2-CD1 4.43Å; L39-I67 HydrophobicContact CD2-CG2 3.77Å; N45-I67 HydrophobicContact CB-CD1 3.82Å; L63-I67 HydrophobicContact CD1-CG2 4.12Å; L63-I67 HydrophobicContact CG-CG2 4.33Å; L63-I67 PolarHBondContact O-N 3.43Å; L63-I67 VanDerWaalsContact O-O 3.12Å; R64-I67 CarbonylContact C-O 3.52Å; R64-I67 WeakPolarHBondContact CA-O 3.17Å; I67-L69 PolarHBondContact O-N 2.79Å; I67-D71 HydrophobicContact CD1-CB 3.95Å; I67-D71 HydrophobicContact CG1-CB 3.98Å; I67-I72 HydrophobicContact CG2-CD1 4.32Å; I67-I72 HydrophobicContact CG2-CG1 4.18Å
68	D	98.7	Very high	98.7	Very high	95 Å²	95	41.5 Å²	41.5	51%	0.508	22%	0.215	S	C	.	.			trans	-64.4	132	163.6	-165	-31	0	0	0	108.5	A70 D71	D68-A70 PolarHBondContact O-N 3.04Å; D68-A70 PolarHBondContact OD1-N 2.73Å; D68-A70 VanDerWaalsContact OD1-N 3.13Å; D68-D71 HydrophobicContact CB-CB 4.48Å; D68-D71 WeakPolarHBondContact O-CB 3.23Å; D68-D71 PolarHBondContact O-N 3.22Å
69	L	98.8	Very high	98.7	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-61.1	-32.7	-178.2	-57.3	-172.8	0	0	0	111.3	V60 L63 R64 I67 D71 I72 L91 Q94 I95	V60-L69 HydrophobicContact CG1-CD1 3.98Å; L63-L69 HydrophobicContact CB-CD2 4.16Å; L63-L69 HydrophobicContact CD2-CD2 3.9Å; L63-L69 HydrophobicContact CG-CD2 3.83Å; R64-L69 HydrophobicContact CG-CD1 3.9Å; R64-L69 HydrophobicContact CG-CD2 3.88Å; R64-L69 HydrophobicContact CG-CG 3.72Å; I67-L69 PolarHBondContact O-N 2.79Å; L69-D71 PolarHBondContact O-N 2.95Å; L69-I72 HydrophobicContact CD2-CD1 4.3Å; L69-I72 WeakPolarHBondContact O-CB 3.22Å; L69-I72 PolarHBondContact O-N 3.45Å; L69-I72 VanDerWaalsContact O-N 3.15Å; L69-L91 HydrophobicContact CD1-CD1 4.24Å; L69-L91 HydrophobicContact CD2-CD1 4.26Å; L69-Q94 HydrophobicContact CD1-CB 3.8Å; L69-Q94 HydrophobicContact CD1-CG 4.06Å; L69-I95 HydrophobicContact CB-CG2 3.89Å
70	A	98.5	Very high	98.7	Very high	75 Å²	75	38.1 Å²	38.1	62%	0.62	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-68	-16.2	178.1	0	0	0	0	0	113.5	D68 I72	D68-A70 PolarHBondContact O-N 3.04Å; D68-A70 PolarHBondContact OD1-N 2.73Å; D68-A70 VanDerWaalsContact OD1-N 3.13Å; A70-I72 VanDerWaalsContact C-N 3.31Å
71	D	98.8	Very high	98.7	Very high	89 Å²	89	38.7 Å²	38.7	48%	0.476	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-85	-4.1	175.7	-67.3	-23.9	0	0	0	112.3	N45 I67 D68 L69 D73	N45-D71 WeakPolarHBondContact CB-O 3.41Å; N45-D71 PolarHBondContact ND2-O 3.19Å; I67-D71 HydrophobicContact CD1-CB 3.95Å; I67-D71 HydrophobicContact CG1-CB 3.98Å; D68-D71 HydrophobicContact CB-CB 4.48Å; D68-D71 WeakPolarHBondContact O-CB 3.23Å; D68-D71 PolarHBondContact O-N 3.22Å; L69-D71 PolarHBondContact O-N 2.95Å; D71-D73 PolarHBondContact O-N 2.82Å
72	I	98.9	Very high	98.7	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	20%	0.202	C	C	.	.			trans	-76.4	109.7	174.8	-60	173.8	0	0	0	109.1	L47 L63 I67 L69 A70 I75 I95 T98	L47-I72 HydrophobicContact CB-CG2 4.28Å; L63-I72 HydrophobicContact CD2-CD1 3.7Å; L63-I72 HydrophobicContact CG-CD1 4.24Å; I67-I72 HydrophobicContact CG2-CD1 4.32Å; I67-I72 HydrophobicContact CG2-CG1 4.18Å; L69-I72 HydrophobicContact CD2-CD1 4.3Å; L69-I72 WeakPolarHBondContact O-CB 3.22Å; L69-I72 PolarHBondContact O-N 3.45Å; L69-I72 VanDerWaalsContact O-N 3.15Å; A70-I72 VanDerWaalsContact C-N 3.31Å; I72-I75 HydrophobicContact CG2-CG1 4.16Å; I72-I95 HydrophobicContact CB-CD1 4.43Å; I72-I95 HydrophobicContact CD1-CD1 4.35Å; I72-T98 HydrophobicContact CG2-CG2 4.35Å
73	D	98.9	Very high	98.7	Very high	51 Å²	51	35.9 Å²	35.9	27%	0.273	19%	0.187	S	C	.	.			trans	-75.9	-43.8	-179.7	-63.3	-91	0	0	0	111.8	K44 N45 D71 P99	K44-D73 VanDerWaalsContact CA-OD2 3.29Å; K44-D73 WeakPolarHBondContact CA-OD2 3.3Å; K44-D73 HydrophobicContact CB-CB 4.25Å; K44-D73 HydrophobicContact CD-CB 3.8Å; K44-D73 VanDerWaalsContact CD-CG 3.45Å; K44-D73 WeakPolarHBondContact CD-OD1 3.37Å; K44-D73 IonicContact NZ-OD1 3.91Å; N45-D73 PolarHBondContact N-OD2 2.81Å; N45-D73 PolarHBondContact O-N 3.13Å; D71-D73 PolarHBondContact O-N 2.82Å; D73-P99 WeakPolarHBondContact O-CD 3.33Å
74	Y	98.9	Very high	98.7	Very high	43 Å²	43	36 Å²	36	17%	0.169	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	144.4	-173.2	-48.6	-49.3	0	0	0	111.9	K44 N45 V46 L47 P99 Y101 L130	K44-Y74 HydrophobicContact CB-CD2 4.22Å; K44-Y74 HydrophobicContact CB-CE2 3.79Å; K44-Y74 HydrophobicContact CD-CE2 3.81Å; K44-Y74 HydrophobicContact CG-CE2 3.73Å; N45-Y74 PolarHBondContact O-N 3.35Å; V46-Y74 WeakPolarHBondContact CA-O 3.49Å; V46-Y74 HydrophobicContact CG2-CD2 3.75Å; V46-Y74 HydrophobicContact CG2-CG 4.42Å; L47-Y74 PolarHBondContact N-O 3.17Å; Y74-P99 HydrophobicContact CD1-CB 4.41Å; Y74-P99 HydrophobicContact CD1-CG 4.46Å; Y74-Y101 AromaticContact CD1-CE2 3.71Å; Y74-Y101 HydrophobicContact CD1-CE2 3.71Å; Y74-Y101 HydrophobicContact CE1-CE2 4.36Å; Y74-Y101 HydrophobicContact CG-CE2 4.05Å; Y74-L130 HydrophobicContact CD2-CD1 4.27Å; Y74-L130 HydrophobicContact CD2-CD2 3.61Å; Y74-L130 HydrophobicContact CD2-CG 4.06Å; Y74-L130 HydrophobicContact CE2-CD1 3.93Å; Y74-L130 HydrophobicContact CE2-CD2 4.12Å; Y74-L130 HydrophobicContact CE2-CG 4.09Å; Y74-L130 HydrophobicContact CG-CD2 3.89Å
75	I	99	Very high	98.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.7	167.1	-63.6	167.4	0	0	0	107.9	L47 I72 I77 L88 L91 M92 I95 T98 P99 I100 Y101	L47-I75 HydrophobicContact CB-CG1 4.32Å; L47-I75 HydrophobicContact CD2-CG1 4.47Å; L47-I75 CarbonylContact O-C 3.51Å; L47-I75 WeakPolarHBondContact O-CA 3.19Å; I72-I75 HydrophobicContact CG2-CG1 4.16Å; I75-I77 HydrophobicContact CG2-CD1 3.89Å; I75-I77 HydrophobicContact CG2-CG1 4.12Å; I75-L88 HydrophobicContact CG2-CD1 4.4Å; I75-L91 HydrophobicContact CD1-CD2 3.9Å; I75-M92 HydrophobicContact CD1-SD 3.52Å; I75-M92 VanDerWaalsContact CD1-SD 3.52Å; I75-I95 HydrophobicContact CD1-CD1 4.18Å; I75-T98 HydrophobicContact CD1-CG2 3.83Å; I75-T98 HydrophobicContact CG1-CG2 3.86Å; I75-P99 PolarHBondContact N-O 2.82Å; I75-I100 HydrophobicContact CB-CG1 4.34Å; I75-I100 CarbonylContact O-C 3.54Å; I75-I100 VanDerWaalsContact O-CA 3.31Å; I75-I100 WeakPolarHBondContact O-CA 3.49Å; I75-Y101 PolarHBondContact O-N 3.3Å
76	V	99	Very high	98.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.1	172.9	175.8	0	0	0	0	107.9	V46 L47 I48 D49 Y101 L138 F140 M152 T154	V46-V76 HydrophobicContact CG1-CG2 3.76Å; L47-V76 PolarHBondContact O-N 3.37Å; I48-V76 HydrophobicContact CG1-CB 4.12Å; I48-V76 HydrophobicContact CG1-CG2 4.46Å; D49-V76 PolarHBondContact N-O 3.45Å; V76-Y101 WeakPolarHBondContact CA-O 3.49Å; V76-L138 HydrophobicContact CG2-CD1 4.08Å; V76-F140 HydrophobicContact CG1-CE1 4Å; V76-F140 HydrophobicContact CG2-CE1 4.06Å; V76-F140 HydrophobicContact CG2-CZ 4.45Å; V76-M152 HydrophobicContact CG1-CE 3.71Å; V76-T154 HydrophobicContact CG1-CG2 4.48Å; V76-T154 WeakPolarHBondContact CG1-OG1 3.29Å
77	I	99	Very high	98.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.136	C	C	.	.			trans	-115	101.6	173.5	-59.2	-62.1	0	0	0	107.8	I75 H79 A80 L88 I100 Y101 C102 I110 M152	I75-I77 HydrophobicContact CG2-CD1 3.89Å; I75-I77 HydrophobicContact CG2-CG1 4.12Å; I77-H79 VanDerWaalsContact C-N 3.31Å; I77-H79 WeakPolarHBondContact CG2-O 3.3Å; I77-A80 HydrophobicContact CG2-CB 4.22Å; I77-L88 HydrophobicContact CD1-CD1 4.24Å; I77-L88 HydrophobicContact CD1-CD2 4.32Å; I77-L88 HydrophobicContact CG1-CD2 4.32Å; I77-I100 HydrophobicContact CB-CG2 4.46Å; I77-I100 HydrophobicContact CG1-CG2 3.87Å; I77-Y101 PolarHBondContact N-O 3.02Å; I77-C102 HydrophobicContact CB-CB 4.32Å; I77-I110 HydrophobicContact CB-CD1 4.18Å; I77-I110 HydrophobicContact CG1-CD1 4.34Å; I77-I110 HydrophobicContact CG2-CD1 4.01Å; I77-I110 HydrophobicContact CG2-CG1 4.45Å; I77-M152 WeakPolarHBondContact O-CE 3.29Å
78	N	98.9	Very high	98.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-68.9	-34.9	176.7	-70.6	-53	0	0	0	111.5	I48 D49 S151 M152 T154 N165	I48-N78 VanDerWaalsContact CG2-ND2 3.27Å; I48-N78 WeakPolarHBondContact CG2-ND2 3.45Å; D49-N78 PolarHBondContact OD1-N 3.03Å; D49-N78 PolarHBondContact OD2-ND2 3.23Å; N78-S151 CarbonylContact O-C 3.46Å; N78-S151 WeakPolarHBondContact O-CA 3.5Å; N78-M152 HydrophobicContact CB-CG 4.33Å; N78-M152 WeakPolarHBondContact CB-O 3.39Å; N78-M152 PolarHBondContact O-N 2.98Å; N78-T154 PolarHBondContact OD1-N 3.46Å; N78-T154 PolarHBondContact OD1-OG1 2.89Å; N78-N165 HydrophobicContact CB-CB 3.79Å
79	H	98.9	Very high	98.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.126	C	C	.	.			trans	-155.4	136.3	-175.2	-176.8	32.1	0	0	0	110.2	I77 E81 H84 W148 D150 N165 D166	I77-H79 VanDerWaalsContact C-N 3.31Å; I77-H79 WeakPolarHBondContact CG2-O 3.3Å; H79-E81 VanDerWaalsContact NE2-CB 3.3Å; H79-E81 WeakPolarHBondContact NE2-CB 3.34Å; H79-E81 IonicContact NE2-OE2 3.34Å; H79-E81 PolarHBondContact NE2-OE2 3.32Å; H79-H84 AromaticContact CD2-CD2 3.65Å; H79-W148 VanDerWaalsContact CE1-CB 3.46Å; H79-W148 WeakPolarHBondContact CE1-CB 3.36Å; H79-W148 AromaticContact CE1-CD2 3.4Å; H79-W148 AromaticContact CE1-CE3 3.42Å; H79-W148 VanDerWaalsContact CE1-CE3 3.42Å; H79-W148 AromaticContact CE1-CG 3.45Å; H79-W148 VanDerWaalsContact CE1-CG 3.45Å; H79-D150 IonicContact CE1-OD1 3.8Å; H79-D150 PolarHBondContact CE1-OD1 3.36Å; H79-D150 IonicContact CG-OD1 3.65Å; H79-D150 IonicContact ND1-OD1 3.49Å; H79-D150 PolarHBondContact ND1-OD1 2.91Å; H79-D150 IonicContact ND1-OD2 3.6Å; H79-N165 WeakPolarHBondContact CB-OD1 3.2Å; H79-D166 IonicContact CD2-OD2 2.76Å; H79-D166 PolarHBondContact CD2-OD2 3.47Å; H79-D166 IonicContact NE2-OD2 3.15Å
80	A	98.7	Very high	98.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.141	C	C	.	.			trans	-106.5	26.2	-171.5	0	0	0	0	0	114.7	I77 A85 S109 I110 D150	I77-A80 HydrophobicContact CG2-CB 4.22Å; A80-A85 HydrophobicContact CB-CB 4.27Å; A80-S109 WeakPolarHBondContact CB-OG 3.43Å; A80-I110 HydrophobicContact CB-CD1 4.47Å; A80-I110 HydrophobicContact CB-CG1 3.49Å; A80-I110 VanDerWaalsContact CB-CG1 3.49Å; A80-D150 WeakPolarHBondContact CB-OD2 3.48Å; A80-D150 PolarHBondContact N-OD2 2.97Å
81	E	98.1	Very high	98.8	Very high	19 Å²	19	21.5 Å²	21.5	9%	0.089	11%	0.112	C	C	.	.	S	Bend	trans	-67.5	153.6	167.1	-169.2	162.8	-170.2	0	0	110.9	H23 H79 D83 H84 A85 H147 W148	H23-E81 IonicContact CD2-OE1 2.79Å; H23-E81 PolarHBondContact CD2-OE1 3.09Å; H23-E81 VanDerWaalsContact CD2-OE1 3.22Å; H23-E81 IonicContact CE1-OE1 3.79Å; H23-E81 IonicContact NE2-OE1 3.36Å; H23-E81 PolarHBondContact NE2-OE1 3.4Å; H23-E81 IonicContact NE2-OE2 3.08Å; H79-E81 VanDerWaalsContact NE2-CB 3.3Å; H79-E81 WeakPolarHBondContact NE2-CB 3.34Å; H79-E81 IonicContact NE2-OE2 3.34Å; H79-E81 PolarHBondContact NE2-OE2 3.32Å; E81-D83 WeakPolarHBondContact CB-OD1 3.15Å; E81-D83 WeakPolarHBondContact CG-OD1 3.42Å; E81-D83 PolarHBondContact O-N 3.1Å; E81-D83 VanDerWaalsContact O-N 3.08Å; E81-H84 PolarHBondContact O-N 3.15Å; E81-A85 PolarHBondContact O-N 3.1Å; E81-H147 IonicContact OE2-CE1 2.72Å; E81-H147 PolarHBondContact OE2-CE1 3.31Å; E81-H147 IonicContact OE2-NE2 2.98Å; E81-W148 HydrophobicContact CB-CH2 3.92Å; E81-W148 HydrophobicContact CB-CZ2 4.2Å; E81-W148 HydrophobicContact CB-CZ3 4.19Å; E81-W148 HydrophobicContact CG-CH2 3.88Å; E81-W148 HydrophobicContact CG-CZ2 3.92Å
82	E	98.3	Very high	98.8	Very high	103 Å²	103	17.3 Å²	17.3	48%	0.481	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.7	-168.5	68.7	172.6	-173.5	0	0	114.4	D52 H53 H84 G86	D52-E82 WeakPolarHBondContact CA-O 3.3Å; H53-E82 IonicContact CE1-OE1 2.79Å; H53-E82 IonicContact CE1-OE2 3.48Å; H53-E82 PolarHBondContact N-O 2.99Å; H53-E82 IonicContact ND1-OE2 2.66Å; E82-H84 VanDerWaalsContact C-N 3.34Å; E82-G86 WeakPolarHBondContact O-CA 3.28Å; E82-G86 PolarHBondContact O-N 3.19Å; E82-G86 VanDerWaalsContact O-N 3.13Å
83	D	98.5	Very high	98.8	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.011	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.6	177.3	72.5	-52.2	0	0	0	113.1	F22 Y35 V51 D52 E81 H227	F22-D83 HydrophobicContact CE2-CB 4.19Å; F22-D83 HydrophobicContact CZ-CB 3.64Å; F22-D83 WeakPolarHBondContact CZ-OD2 3.43Å; Y35-D83 HydrophobicContact CD1-CB 4.05Å; Y35-D83 WeakPolarHBondContact CD1-O 3.29Å; Y35-D83 HydrophobicContact CE1-CB 3.82Å; V51-D83 CarbonylContact C-O 3.56Å; V51-D83 VanDerWaalsContact C-O 3.32Å; D52-D83 HydrophobicContact CB-CB 4.3Å; D52-D83 PolarHBondContact N-O 3.22Å; E81-D83 WeakPolarHBondContact CB-OD1 3.15Å; E81-D83 WeakPolarHBondContact CG-OD1 3.42Å; E81-D83 PolarHBondContact O-N 3.1Å; E81-D83 VanDerWaalsContact O-N 3.08Å; D83-H227 IonicContact OD2-CE1 2.84Å; D83-H227 PolarHBondContact OD2-CE1 3.38Å; D83-H227 IonicContact OD2-NE2 3.51Å; D83-H227 PolarHBondContact OD2-NE2 3.31Å
84	H	98.7	Very high	98.7	Very high	2 Å²	2	23 Å²	23	1%	0.009	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-34.3	178.7	-61	-21.4	0	0	0	113.2	T50 H79 E81 E82 N165 D166 S226 H227	T50-H84 CarbonylContact C-O 3.51Å; T50-H84 WeakPolarHBondContact CA-O 3.37Å; T50-H84 WeakPolarHBondContact CB-O 3.46Å; T50-H84 PolarHBondContact N-O 3.48Å; T50-H84 PolarHBondContact OG1-O 2.85Å; H79-H84 AromaticContact CD2-CD2 3.65Å; E81-H84 PolarHBondContact O-N 3.15Å; E82-H84 VanDerWaalsContact C-N 3.34Å; H84-N165 PolarHBondContact CD2-ND2 3.03Å; H84-N165 PolarHBondContact CD2-OD1 3.37Å; H84-D166 IonicContact NE2-OD1 3.93Å; H84-D166 PolarHBondContact NE2-OD1 3.13Å; H84-D166 IonicContact NE2-OD2 3.98Å; H84-S226 WeakPolarHBondContact CE1-CB 3.27Å; H84-S226 PolarHBondContact CE1-OG 3.31Å; H84-S226 WeakPolarHBondContact NE2-CB 3.45Å; H84-S226 PolarHBondContact NE2-OG 3.43Å; H84-H227 AromaticContact CE1-CD2 3.89Å; H84-H227 AromaticContact CE1-CE1 3.47Å; H84-H227 PolarHBondContact CE1-CE1 2.84Å; H84-H227 VanDerWaalsContact CE1-CE1 3.47Å; H84-H227 AromaticContact CE1-NE2 3.37Å; H84-H227 PolarHBondContact CE1-NE2 3.39Å; H84-H227 AromaticContact NE2-NE2 3.85Å
85	A	98.8	Very high	98.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-107.1	-0	176.4	0	0	0	0	0	112.8	T50 A80 E81 A87 L88 H114	T50-A85 WeakPolarHBondContact OG1-CA 3.3Å; A80-A85 HydrophobicContact CB-CB 4.27Å; E81-A85 PolarHBondContact O-N 3.1Å; A85-A87 PolarHBondContact O-N 2.96Å; A85-A87 VanDerWaalsContact O-N 3.11Å; A85-L88 WeakPolarHBondContact O-CB 3.32Å; A85-L88 PolarHBondContact O-N 2.96Å; A85-H114 PolarHBondContact O-CE1 3.46Å; A85-H114 PolarHBondContact O-NE2 3.06Å
86	G	98.6	Very high	98.7	Very high	15 Å²	15	24.8 Å²	24.8	16%	0.155	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.3	-174.6	0	0	0	0	0	115.1	V51 E82	V51-G86 PolarHBondContact O-N 3.27Å; E82-G86 WeakPolarHBondContact O-CA 3.28Å; E82-G86 PolarHBondContact O-N 3.19Å; E82-G86 VanDerWaalsContact O-N 3.13Å
87	A	98.8	Very high	98.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-3.5	176.5	0	0	0	0	0	114.3	T50 V51 F59 A85 T89 E90 L91	T50-A87 PolarHBondContact OG1-N 3.15Å; V51-A87 HydrophobicContact CG2-CB 4.05Å; V51-A87 PolarHBondContact O-N 2.99Å; V51-A87 VanDerWaalsContact O-N 3.09Å; F59-A87 HydrophobicContact CB-CB 4.31Å; F59-A87 HydrophobicContact CD1-CB 3.63Å; F59-A87 HydrophobicContact CE1-CB 4.29Å; F59-A87 HydrophobicContact CG-CB 4.2Å; A85-A87 PolarHBondContact O-N 2.96Å; A85-A87 VanDerWaalsContact O-N 3.11Å; A87-T89 PolarHBondContact O-N 2.95Å; A87-E90 PolarHBondContact O-N 3.23Å; A87-L91 PolarHBondContact O-N 2.9Å; A87-L91 VanDerWaalsContact O-N 3.1Å
88	L	98.9	Very high	98.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.2	-40.9	-171.8	-172.8	62	0	0	0	112.9	T50 I75 I77 A85 E90 L91 M92 I100 I110 W119	T50-L88 HydrophobicContact CG2-CD1 4.37Å; I75-L88 HydrophobicContact CG2-CD1 4.4Å; I77-L88 HydrophobicContact CD1-CD1 4.24Å; I77-L88 HydrophobicContact CD1-CD2 4.32Å; I77-L88 HydrophobicContact CG1-CD2 4.32Å; A85-L88 WeakPolarHBondContact O-CB 3.32Å; A85-L88 PolarHBondContact O-N 2.96Å; L88-E90 VanDerWaalsContact C-N 3.34Å; L88-E90 PolarHBondContact O-N 2.93Å; L88-L91 PolarHBondContact O-N 2.91Å; L88-M92 HydrophobicContact CD1-CG 3.76Å; L88-M92 HydrophobicContact CD1-SD 4.36Å; L88-M92 HydrophobicContact CG-CG 4.03Å; L88-M92 WeakPolarHBondContact O-CB 3.43Å; L88-M92 VanDerWaalsContact O-CG 3.3Å; L88-M92 WeakPolarHBondContact O-CG 3.19Å; L88-M92 PolarHBondContact O-N 2.96Å; L88-I100 HydrophobicContact CD1-CD1 4.46Å; L88-I100 HydrophobicContact CD2-CD1 4.45Å; L88-I110 HydrophobicContact CD2-CG2 4.01Å; L88-W119 HydrophobicContact CD2-CE3 4.45Å; L88-W119 HydrophobicContact CD2-CH2 4.42Å; L88-W119 HydrophobicContact CD2-CZ3 3.73Å; L88-W119 HydrophobicContact CG-CH2 4.11Å; L88-W119 HydrophobicContact CG-CZ3 3.87Å
89	T	98.8	Very high	98.7	Very high	55 Å²	55	33.4 Å²	33.4	34%	0.337	19%	0.19	S	C	.	.	H	α-helix	trans	-60.8	-42.3	176.8	-66.7	0	0	0	0	112	A87 A93 H114	A87-T89 PolarHBondContact O-N 2.95Å; T89-A93 WeakPolarHBondContact O-CB 3.42Å; T89-A93 PolarHBondContact O-N 3.13Å; T89-H114 PolarHBondContact OG1-ND1 2.87Å
90	E	98.8	Very high	98.7	Very high	69 Å²	69	33.4 Å²	33.4	32%	0.322	19%	0.19	S	C	.	.	H	α-helix	trans	-69	-38.1	-179.5	-167.1	172.1	169.3	0	0	111.4	S56 R57 V60 A87 L88	S56-E90 WeakPolarHBondContact CB-OE2 3.49Å; S56-E90 PolarHBondContact OG-OE2 2.96Å; R57-E90 VanDerWaalsContact CA-OE1 3.3Å; R57-E90 WeakPolarHBondContact CA-OE1 3.42Å; R57-E90 WeakPolarHBondContact CA-OE2 3.49Å; R57-E90 PolarHBondContact N-OE2 3.33Å; V60-E90 HydrophobicContact CG2-CB 4.13Å; V60-E90 HydrophobicContact CG2-CG 3.99Å; A87-E90 PolarHBondContact O-N 3.23Å; L88-E90 VanDerWaalsContact C-N 3.34Å; L88-E90 PolarHBondContact O-N 2.93Å
91	L	98.9	Very high	98.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.9	-53.1	175	179.4	60.7	0	0	0	111.7	L47 T50 F59 V60 L63 L69 I75 A87 L88 A93 Q94 I95	L47-L91 HydrophobicContact CD2-CD2 3.41Å; L47-L91 VanDerWaalsContact CD2-CD2 3.41Å; T50-L91 HydrophobicContact CG2-CD2 4.49Å; F59-L91 HydrophobicContact CE1-CD2 4.36Å; V60-L91 HydrophobicContact CG2-CB 4.15Å; L63-L91 HydrophobicContact CD2-CD1 3.99Å; L63-L91 HydrophobicContact CD2-CD2 4.48Å; L69-L91 HydrophobicContact CD1-CD1 4.24Å; L69-L91 HydrophobicContact CD2-CD1 4.26Å; I75-L91 HydrophobicContact CD1-CD2 3.9Å; A87-L91 PolarHBondContact O-N 2.9Å; A87-L91 VanDerWaalsContact O-N 3.1Å; L88-L91 PolarHBondContact O-N 2.91Å; L91-A93 PolarHBondContact O-N 3.44Å; L91-Q94 WeakPolarHBondContact O-CB 3.27Å; L91-Q94 PolarHBondContact O-N 2.8Å; L91-I95 HydrophobicContact CD1-CD1 3.87Å; L91-I95 HydrophobicContact CD1-CG1 4.24Å; L91-I95 HydrophobicContact CG-CD1 4.04Å; L91-I95 HydrophobicContact CG-CG1 4.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.34Å; L91-I95 PolarHBondContact O-N 3.37Å
92	M	98.8	Very high	98.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-67	-21	-176.9	-67.8	-54.3	-64.9	0	0	113	I75 L88 Q94 I95 P96 I100 W119	I75-M92 HydrophobicContact CD1-SD 3.52Å; I75-M92 VanDerWaalsContact CD1-SD 3.52Å; L88-M92 HydrophobicContact CD1-CG 3.76Å; L88-M92 HydrophobicContact CD1-SD 4.36Å; L88-M92 HydrophobicContact CG-CG 4.03Å; L88-M92 WeakPolarHBondContact O-CB 3.43Å; L88-M92 VanDerWaalsContact O-CG 3.3Å; L88-M92 WeakPolarHBondContact O-CG 3.19Å; L88-M92 PolarHBondContact O-N 2.96Å; M92-Q94 PolarHBondContact O-N 3.45Å; M92-I95 VanDerWaalsContact CE-O 3.3Å; M92-I95 WeakPolarHBondContact CE-O 3.39Å; M92-I95 CarbonylContact O-C 3.57Å; M92-I95 PolarHBondContact O-N 2.96Å; M92-P96 WeakPolarHBondContact O-CA 3.43Å; M92-P96 WeakPolarHBondContact O-CD 3.44Å; M92-I100 HydrophobicContact CE-CD1 4.08Å; M92-I100 HydrophobicContact CE-CG1 4.42Å; M92-I100 HydrophobicContact CG-CD1 4.36Å; M92-I100 HydrophobicContact SD-CD1 4.13Å; M92-I100 HydrophobicContact SD-CG1 4.45Å; M92-W119 HydrophobicContact CB-CD2 4.3Å; M92-W119 HydrophobicContact CB-CH2 4.06Å; M92-W119 HydrophobicContact CB-CZ2 3.37Å; M92-W119 HydrophobicContact CE-CD2 4.47Å; M92-W119 HydrophobicContact CE-CG 4.24Å; M92-W119 HydrophobicContact CG-CD2 4.16Å; M92-W119 HydrophobicContact CG-CE3 4.38Å; M92-W119 HydrophobicContact CG-CH2 4.07Å; M92-W119 HydrophobicContact CG-CZ2 3.82Å; M92-W119 HydrophobicContact CG-CZ3 4.34Å
93	A	98.7	Very high	98.8	Very high	70 Å²	70	29.6 Å²	29.6	58%	0.579	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.2	169.1	0	0	0	0	0	113	T89 L91	T89-A93 WeakPolarHBondContact O-CB 3.42Å; T89-A93 PolarHBondContact O-N 3.13Å; L91-A93 PolarHBondContact O-N 3.44Å
94	Q	98.7	Very high	98.8	Very high	103 Å²	103	32.2 Å²	32.2	48%	0.481	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-29.3	179.4	-52.4	-58.8	-51.7	0	0	112.7	R64 L69 L91 M92	R64-Q94 VanDerWaalsContact NH2-CD 3.26Å; R64-Q94 VanDerWaalsContact NH2-CG 3.32Å; L69-Q94 HydrophobicContact CD1-CB 3.8Å; L69-Q94 HydrophobicContact CD1-CG 4.06Å; L91-Q94 WeakPolarHBondContact O-CB 3.27Å; L91-Q94 PolarHBondContact O-N 2.8Å; M92-Q94 PolarHBondContact O-N 3.45Å
95	I	98.8	Very high	98.8	Very high	15 Å²	15	36.1 Å²	36.1	8%	0.077	21%	0.214	C	C	.	.			trans	-135.6	60.3	-175.7	51.8	170.7	0	0	0	111.2	L69 I72 I75 L91 M92 D97 T98	L69-I95 HydrophobicContact CB-CG2 3.89Å; I72-I95 HydrophobicContact CB-CD1 4.43Å; I72-I95 HydrophobicContact CD1-CD1 4.35Å; I75-I95 HydrophobicContact CD1-CD1 4.18Å; L91-I95 HydrophobicContact CD1-CD1 3.87Å; L91-I95 HydrophobicContact CD1-CG1 4.24Å; L91-I95 HydrophobicContact CG-CD1 4.04Å; L91-I95 HydrophobicContact CG-CG1 4.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.34Å; L91-I95 PolarHBondContact O-N 3.37Å; M92-I95 VanDerWaalsContact CE-O 3.3Å; M92-I95 WeakPolarHBondContact CE-O 3.39Å; M92-I95 CarbonylContact O-C 3.57Å; M92-I95 PolarHBondContact O-N 2.96Å; I95-D97 PolarHBondContact O-N 2.87Å; I95-D97 VanDerWaalsContact O-N 3.09Å; I95-T98 WeakPolarHBondContact CB-OG1 3.48Å; I95-T98 HydrophobicContact CD1-CG2 4.43Å; I95-T98 PolarHBondContact O-N 3.29Å; I95-T98 VanDerWaalsContact O-N 3.13Å; I95-T98 PolarHBondContact O-OG1 3.3Å
96	P	98.7	Very high	98.8	Very high	66 Å²	66	36.1 Å²	36.1	43%	0.429	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.5	-168.1	26	-36.5	0	0	0	114.5	M92	M92-P96 WeakPolarHBondContact O-CA 3.43Å; M92-P96 WeakPolarHBondContact O-CD 3.44Å
97	D	98.7	Very high	98.8	Very high	128 Å²	128	37.4 Å²	37.4	68%	0.684	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-8.5	-177.6	-61.4	-48.7	0	0	0	113.3	I95 P99 N120	I95-D97 PolarHBondContact O-N 2.87Å; I95-D97 VanDerWaalsContact O-N 3.09Å; D97-P99 WeakPolarHBondContact O-CD 3.49Å; D97-N120 PolarHBondContact O-ND2 3.49Å
98	T	98.9	Very high	98.8	Very high	15 Å²	15	43.6 Å²	43.6	9%	0.092	25%	0.25	C	S	.	.			trans	-63.2	126	-176.7	-65.1	0	0	0	0	111.1	I72 I75 I95	I72-T98 HydrophobicContact CG2-CG2 4.35Å; I75-T98 HydrophobicContact CD1-CG2 3.83Å; I75-T98 HydrophobicContact CG1-CG2 3.86Å; I95-T98 WeakPolarHBondContact CB-OG1 3.48Å; I95-T98 HydrophobicContact CD1-CG2 4.43Å; I95-T98 PolarHBondContact O-N 3.29Å; I95-T98 VanDerWaalsContact O-N 3.13Å; I95-T98 PolarHBondContact O-OG1 3.3Å
99	P	98.9	Very high	98.8	Very high	38 Å²	38	44.3 Å²	44.3	25%	0.247	26%	0.256	C	S	.	.			trans	-59.9	135.5	177.7	-25.4	33.8	0	0	0	113.7	D73 Y74 I75 D97 Y101	D73-P99 WeakPolarHBondContact O-CD 3.33Å; Y74-P99 HydrophobicContact CD1-CB 4.41Å; Y74-P99 HydrophobicContact CD1-CG 4.46Å; I75-P99 PolarHBondContact N-O 2.82Å; D97-P99 WeakPolarHBondContact O-CD 3.49Å; P99-Y101 HydrophobicContact CB-CE2 3.95Å
100	I	99	Very high	98.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.6	174.7	-60.3	173.2	0	0	0	109.6	I75 I77 L88 M92 C102 I110 W119 N120 F121 N122	I75-I100 HydrophobicContact CB-CG1 4.34Å; I75-I100 CarbonylContact O-C 3.54Å; I75-I100 VanDerWaalsContact O-CA 3.31Å; I75-I100 WeakPolarHBondContact O-CA 3.49Å; I77-I100 HydrophobicContact CB-CG2 4.46Å; I77-I100 HydrophobicContact CG1-CG2 3.87Å; L88-I100 HydrophobicContact CD1-CD1 4.46Å; L88-I100 HydrophobicContact CD2-CD1 4.45Å; M92-I100 HydrophobicContact CE-CD1 4.08Å; M92-I100 HydrophobicContact CE-CG1 4.42Å; M92-I100 HydrophobicContact CG-CD1 4.36Å; M92-I100 HydrophobicContact SD-CD1 4.13Å; M92-I100 HydrophobicContact SD-CG1 4.45Å; I100-C102 HydrophobicContact CG2-CB 4.49Å; I100-I110 HydrophobicContact CG2-CD1 4.44Å; I100-W119 HydrophobicContact CD1-CB 4.25Å; I100-W119 HydrophobicContact CD1-CD2 4.27Å; I100-W119 HydrophobicContact CD1-CE3 3.84Å; I100-W119 HydrophobicContact CD1-CG 4.48Å; I100-N120 PolarHBondContact N-O 3.33Å; I100-F121 HydrophobicContact CB-CD1 4.05Å; I100-F121 HydrophobicContact CB-CE1 4.4Å; I100-F121 HydrophobicContact CD1-CD1 4.46Å; I100-F121 HydrophobicContact CD1-CE1 4.02Å; I100-F121 HydrophobicContact CG2-CD1 4.08Å; I100-F121 HydrophobicContact CG2-CE1 4.28Å; I100-F121 CarbonylContact O-C 3.39Å; I100-F121 WeakPolarHBondContact O-CA 3.42Å; I100-N122 PolarHBondContact O-N 2.77Å
101	Y	99	Very high	98.8	Very high	39 Å²	39	40.1 Å²	40.1	15%	0.153	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.1	175.7	-71	-100.3	0	0	0	110.2	Y74 I75 V76 I77 P99 N122 V124 L130 F140	Y74-Y101 AromaticContact CD1-CE2 3.71Å; Y74-Y101 HydrophobicContact CD1-CE2 3.71Å; Y74-Y101 HydrophobicContact CE1-CE2 4.36Å; Y74-Y101 HydrophobicContact CG-CE2 4.05Å; I75-Y101 PolarHBondContact O-N 3.3Å; V76-Y101 WeakPolarHBondContact CA-O 3.49Å; I77-Y101 PolarHBondContact N-O 3.02Å; P99-Y101 HydrophobicContact CB-CE2 3.95Å; Y101-N122 WeakPolarHBondContact CA-O 3.35Å; Y101-N122 HydrophobicContact CD1-CB 3.76Å; Y101-N122 HydrophobicContact CE1-CB 3.8Å; Y101-N122 HydrophobicContact CG-CB 4.13Å; Y101-V124 HydrophobicContact CD1-CG1 3.71Å; Y101-V124 HydrophobicContact CG-CG1 4.48Å; Y101-L130 HydrophobicContact CD1-CD2 4.13Å; Y101-L130 HydrophobicContact CD2-CD2 3.83Å; Y101-L130 HydrophobicContact CE1-CD1 4Å; Y101-L130 HydrophobicContact CE1-CD2 4Å; Y101-L130 HydrophobicContact CE2-CD1 4.33Å; Y101-L130 HydrophobicContact CE2-CD2 3.7Å; Y101-L130 HydrophobicContact CG-CD2 4.05Å; Y101-F140 HydrophobicContact CD1-CE2 4.5Å; Y101-F140 HydrophobicContact CD1-CZ 4.35Å; Y101-F140 HydrophobicContact CG-CZ 4.47Å
102	C	98.9	Very high	98.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	171	-174.7	64.9	0	0	0	0	111.3	I77 I100 A106 I110 N122 V123 V124	I77-C102 HydrophobicContact CB-CB 4.32Å; I100-C102 HydrophobicContact CG2-CB 4.49Å; C102-A106 HydrophobicContact CB-CB 3.52Å; C102-I110 HydrophobicContact CB-CD1 4.39Å; C102-N122 PolarHBondContact N-O 2.9Å; C102-N122 VanDerWaalsContact N-O 3.14Å; C102-V123 WeakPolarHBondContact O-CA 3.28Å; C102-V124 WeakPolarHBondContact O-CG2 3.05Å; C102-V124 PolarHBondContact O-N 3.28Å
103	T	98.9	Very high	98.7	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.025	28%	0.278	C	S	.	.			trans	-70.5	166.4	176.8	68.7	0	0	0	0	111.8	N105 A106 I107 E142 D150 M152	T103-N105 VanDerWaalsContact C-N 3.25Å; T103-N105 PolarHBondContact O-N 2.78Å; T103-A106 WeakPolarHBondContact O-CB 3.26Å; T103-A106 PolarHBondContact O-N 2.82Å; T103-A106 VanDerWaalsContact O-N 3.12Å; T103-A106 WeakPolarHBondContact OG1-CB 3.36Å; T103-A106 PolarHBondContact OG1-N 2.81Å; T103-A106 VanDerWaalsContact OG1-N 3.07Å; T103-I107 PolarHBondContact O-N 2.91Å; T103-E142 HydrophobicContact CG2-CG 4.19Å; T103-D150 VanDerWaalsContact CG2-O 3.22Å; T103-D150 WeakPolarHBondContact CG2-O 3.37Å; T103-D150 WeakPolarHBondContact OG1-CA 3.44Å; T103-D150 PolarHBondContact OG1-O 3.36Å; T103-M152 HydrophobicContact CG2-CB 3.63Å; T103-M152 HydrophobicContact CG2-CG 3.81Å; T103-M152 HydrophobicContact CG2-SD 3.66Å
104	A	98.7	Very high	98.7	Very high	57 Å²	57	44.4 Å²	44.4	47%	0.471	26%	0.255	S	S	.	.	H	α-helix	trans	-60.6	-37.2	174.3	0	0	0	0	0	112.4	A106 I107 V123	A104-A106 VanDerWaalsContact C-N 3.32Å; A104-I107 PolarHBondContact O-N 2.97Å; A104-V123 HydrophobicContact CB-CG1 3.94Å; A104-V123 HydrophobicContact CB-CG2 4.5Å
105	N	98.8	Very high	98.7	Very high	83 Å²	83	46.3 Å²	46.3	44%	0.444	26%	0.263	S	S	.	.	H	α-helix	trans	-71.7	-28.9	176.6	-68.1	-24.8	0	0	0	111.7	T103 I107 D108 S109 P149 D150	T103-N105 VanDerWaalsContact C-N 3.25Å; T103-N105 PolarHBondContact O-N 2.78Å; N105-I107 VanDerWaalsContact C-N 3.26Å; N105-I107 PolarHBondContact O-N 2.87Å; N105-D108 WeakPolarHBondContact O-CB 3.38Å; N105-D108 PolarHBondContact O-N 2.88Å; N105-D108 VanDerWaalsContact O-N 3.12Å; N105-S109 PolarHBondContact O-N 2.69Å; N105-S109 VanDerWaalsContact O-N 3.14Å; N105-S109 PolarHBondContact O-OG 2.93Å; N105-P149 HydrophobicContact CB-CB 4.24Å; N105-P149 WeakPolarHBondContact CB-O 3.2Å; N105-P149 PolarHBondContact ND2-O 3.39Å; N105-D150 HydrophobicContact CB-CB 4.07Å
106	A	98.9	Very high	98.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64	-30.6	176	0	0	0	0	0	112.8	C102 T103 A104 D108 S109 I110 D150	C102-A106 HydrophobicContact CB-CB 3.52Å; T103-A106 WeakPolarHBondContact O-CB 3.26Å; T103-A106 PolarHBondContact O-N 2.82Å; T103-A106 VanDerWaalsContact O-N 3.12Å; T103-A106 WeakPolarHBondContact OG1-CB 3.36Å; T103-A106 PolarHBondContact OG1-N 2.81Å; T103-A106 VanDerWaalsContact OG1-N 3.07Å; A104-A106 VanDerWaalsContact C-N 3.32Å; A106-D108 VanDerWaalsContact C-N 3.26Å; A106-D108 PolarHBondContact O-N 2.89Å; A106-S109 VanDerWaalsContact CA-OG 3.3Å; A106-S109 WeakPolarHBondContact CA-OG 3.31Å; A106-S109 PolarHBondContact O-N 3.33Å; A106-S109 PolarHBondContact O-OG 2.85Å; A106-I110 HydrophobicContact CB-CD1 4.33Å; A106-I110 VanDerWaalsContact O-CB 3.24Å; A106-I110 WeakPolarHBondContact O-CB 3.15Å; A106-I110 WeakPolarHBondContact O-CD1 3.43Å; A106-I110 WeakPolarHBondContact O-CG1 3.44Å; A106-I110 PolarHBondContact O-N 2.92Å; A106-D150 HydrophobicContact CB-CB 3.88Å
107	I	98.8	Very high	98.7	Very high	42 Å²	42	49.6 Å²	49.6	22%	0.215	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-37.9	174.6	-62.4	174.9	0	0	0	110.7	T103 A104 N105 N111 F121 V123	T103-I107 PolarHBondContact O-N 2.91Å; A104-I107 PolarHBondContact O-N 2.97Å; N105-I107 VanDerWaalsContact C-N 3.26Å; N105-I107 PolarHBondContact O-N 2.87Å; I107-N111 WeakPolarHBondContact CG2-ND2 3.33Å; I107-N111 WeakPolarHBondContact O-CB 3.44Å; I107-N111 VanDerWaalsContact O-CG 3.23Å; I107-N111 PolarHBondContact O-N 2.75Å; I107-N111 VanDerWaalsContact O-N 3.11Å; I107-N111 PolarHBondContact O-ND2 3.29Å; I107-F121 HydrophobicContact CD1-CB 3.72Å; I107-F121 HydrophobicContact CD1-CG 4.31Å; I107-F121 HydrophobicContact CG1-CB 3.86Å; I107-F121 HydrophobicContact CG1-CD1 4.17Å; I107-F121 HydrophobicContact CG1-CG 3.94Å; I107-F121 HydrophobicContact CG2-CD2 4.16Å; I107-F121 HydrophobicContact CG2-CE2 4.46Å; I107-F121 HydrophobicContact CG2-CG 4.4Å; I107-V123 HydrophobicContact CD1-CG2 3.44Å; I107-V123 VanDerWaalsContact CD1-CG2 3.44Å
108	D	98.8	Very high	98.7	Very high	130 Å²	130	49.2 Å²	49.2	70%	0.695	27%	0.274	S	S	*	.	H	α-helix	trans	-67.2	-49.5	176.1	-174.3	70.3	0	0	0	111.1	N105 A106 N111 G112	N105-D108 WeakPolarHBondContact O-CB 3.38Å; N105-D108 PolarHBondContact O-N 2.88Å; N105-D108 VanDerWaalsContact O-N 3.12Å; A106-D108 VanDerWaalsContact C-N 3.26Å; A106-D108 PolarHBondContact O-N 2.89Å; D108-N111 PolarHBondContact O-N 3.04Å; D108-G112 PolarHBondContact O-N 2.64Å
109	S	98.7	Very high	98.7	Very high	16 Å²	16	49.2 Å²	49.2	11%	0.112	27%	0.273	C	S	.	.	H	α-helix	trans	-66.8	-43	-179.1	55.2	0	0	0	0	112.9	A80 N105 A106 G112 H113 D150	A80-S109 WeakPolarHBondContact CB-OG 3.43Å; N105-S109 PolarHBondContact O-N 2.69Å; N105-S109 VanDerWaalsContact O-N 3.14Å; N105-S109 PolarHBondContact O-OG 2.93Å; A106-S109 VanDerWaalsContact CA-OG 3.3Å; A106-S109 WeakPolarHBondContact CA-OG 3.31Å; A106-S109 PolarHBondContact O-N 3.33Å; A106-S109 PolarHBondContact O-OG 2.85Å; S109-G112 PolarHBondContact O-N 3Å; S109-H113 PolarHBondContact O-N 2.85Å; S109-H113 VanDerWaalsContact O-N 3.14Å; S109-H113 PolarHBondContact O-ND1 3Å; S109-D150 PolarHBondContact OG-OD2 3.47Å
110	I	98.8	Very high	98.7	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-49	175.8	-66.4	166.5	0	0	0	109.8	I77 A80 L88 I100 C102 A106 G112 H113 H114 W119 F121	I77-I110 HydrophobicContact CB-CD1 4.18Å; I77-I110 HydrophobicContact CG1-CD1 4.34Å; I77-I110 HydrophobicContact CG2-CD1 4.01Å; I77-I110 HydrophobicContact CG2-CG1 4.45Å; A80-I110 HydrophobicContact CB-CD1 4.47Å; A80-I110 HydrophobicContact CB-CG1 3.49Å; A80-I110 VanDerWaalsContact CB-CG1 3.49Å; L88-I110 HydrophobicContact CD2-CG2 4.01Å; I100-I110 HydrophobicContact CG2-CD1 4.44Å; C102-I110 HydrophobicContact CB-CD1 4.39Å; A106-I110 HydrophobicContact CB-CD1 4.33Å; A106-I110 VanDerWaalsContact O-CB 3.24Å; A106-I110 WeakPolarHBondContact O-CB 3.15Å; A106-I110 WeakPolarHBondContact O-CD1 3.43Å; A106-I110 WeakPolarHBondContact O-CG1 3.44Å; A106-I110 PolarHBondContact O-N 2.92Å; I110-G112 VanDerWaalsContact C-N 3.27Å; I110-G112 PolarHBondContact O-N 2.77Å; I110-H113 PolarHBondContact O-N 2.84Å; I110-H114 WeakPolarHBondContact O-CB 3.38Å; I110-H114 PolarHBondContact O-CD2 3.01Å; I110-H114 VanDerWaalsContact O-CD2 3.25Å; I110-H114 PolarHBondContact O-N 2.97Å; I110-W119 HydrophobicContact CG2-CE3 4.1Å; I110-W119 HydrophobicContact CG2-CZ3 3.85Å; I110-F121 HydrophobicContact CB-CE1 4.22Å; I110-F121 HydrophobicContact CB-CZ 4.36Å; I110-F121 HydrophobicContact CD1-CD1 4.5Å; I110-F121 HydrophobicContact CD1-CE1 3.88Å; I110-F121 HydrophobicContact CG2-CE1 3.79Å; I110-F121 HydrophobicContact CG2-CZ 3.75Å
111	N	98.8	Very high	98.7	Very high	35 Å²	35	52.8 Å²	52.8	19%	0.187	29%	0.288	C	S	.	.	H	α-helix	trans	-65.5	-32.9	178.8	-75.1	-37.1	0	0	0	112.6	I107 D108 H113 H115 H116 P117	I107-N111 WeakPolarHBondContact CG2-ND2 3.33Å; I107-N111 WeakPolarHBondContact O-CB 3.44Å; I107-N111 VanDerWaalsContact O-CG 3.23Å; I107-N111 PolarHBondContact O-N 2.75Å; I107-N111 VanDerWaalsContact O-N 3.11Å; I107-N111 PolarHBondContact O-ND2 3.29Å; D108-N111 PolarHBondContact O-N 3.04Å; N111-H113 VanDerWaalsContact C-N 3.31Å; N111-H113 PolarHBondContact O-N 2.79Å; N111-H115 VanDerWaalsContact O-CA 3.32Å; N111-H115 WeakPolarHBondContact O-CA 3.25Å; N111-H115 PolarHBondContact O-CD2 2.82Å; N111-H115 PolarHBondContact O-N 3.4Å; N111-H116 VanDerWaalsContact OD1-C 3.32Å; N111-H116 PolarHBondContact OD1-O 3.02Å; N111-P117 WeakPolarHBondContact OD1-CA 3.27Å
112	G	98.5	Very high	98.7	Very high	50 Å²	50	53.8 Å²	53.8	52%	0.515	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-32.9	176	0	0	0	0	0	113.8	D108 S109 I110 H115	D108-G112 PolarHBondContact O-N 2.64Å; S109-G112 PolarHBondContact O-N 3Å; I110-G112 VanDerWaalsContact C-N 3.27Å; I110-G112 PolarHBondContact O-N 2.77Å; G112-H115 PolarHBondContact O-NE2 2.81Å
113	H	97.9	Very high	98.7	Very high	92 Å²	92	56.9 Å²	56.9	43%	0.426	31%	0.314	S	S	.	.	H	α-helix	trans	-93.4	-42.4	178.2	-66.4	90.6	0	0	0	112.7	S109 I110 N111	S109-H113 PolarHBondContact O-N 2.85Å; S109-H113 VanDerWaalsContact O-N 3.14Å; S109-H113 PolarHBondContact O-ND1 3Å; I110-H113 PolarHBondContact O-N 2.84Å; N111-H113 VanDerWaalsContact C-N 3.31Å; N111-H113 PolarHBondContact O-N 2.79Å
114	H	98.7	Very high	98.7	Very high	20 Å²	20	57 Å²	57	9%	0.093	32%	0.315	C	S	.	.	H	α-helix	trans	-99.7	-22.5	-168.1	-61.3	-78.5	0	0	0	113.9	A85 T89 I110 H116 W119	A85-H114 PolarHBondContact O-CE1 3.46Å; A85-H114 PolarHBondContact O-NE2 3.06Å; T89-H114 PolarHBondContact OG1-ND1 2.87Å; I110-H114 WeakPolarHBondContact O-CB 3.38Å; I110-H114 PolarHBondContact O-CD2 3.01Å; I110-H114 VanDerWaalsContact O-CD2 3.25Å; I110-H114 PolarHBondContact O-N 2.97Å; H114-H116 VanDerWaalsContact C-N 3.31Å; H114-H116 PolarHBondContact O-CD2 3.36Å; H114-H116 PolarHBondContact O-N 2.79Å; H114-W119 HydrophobicContact CB-CH2 3.76Å; H114-W119 HydrophobicContact CB-CZ3 3.84Å
115	H	98.4	Very high	98.7	Very high	143 Å²	143	59.8 Å²	59.8	66%	0.662	32%	0.317	S	S	*	.			trans	57.6	34.9	179.9	-49.1	111.8	0	0	0	115.4	N111 G112 P117	N111-H115 VanDerWaalsContact O-CA 3.32Å; N111-H115 WeakPolarHBondContact O-CA 3.25Å; N111-H115 PolarHBondContact O-CD2 2.82Å; N111-H115 PolarHBondContact O-N 3.4Å; G112-H115 PolarHBondContact O-NE2 2.81Å; H115-P117 VanDerWaalsContact C-CD 3.41Å; H115-P117 WeakPolarHBondContact O-CD 3.37Å
116	H	98.6	Very high	98.7	Very high	60 Å²	60	57.9 Å²	57.9	28%	0.278	31%	0.308	S	S	.	.			trans	-120.2	67.9	177.7	-75.4	-77.5	0	0	0	112.2	N111 H114 E118 W119	N111-H116 VanDerWaalsContact OD1-C 3.32Å; N111-H116 PolarHBondContact OD1-O 3.02Å; H114-H116 VanDerWaalsContact C-N 3.31Å; H114-H116 PolarHBondContact O-CD2 3.36Å; H114-H116 PolarHBondContact O-N 2.79Å; H116-E118 VanDerWaalsContact CA-OE2 3.24Å; H116-E118 WeakPolarHBondContact CA-OE2 3.18Å; H116-E118 IonicContact CE1-OE1 3.52Å; H116-E118 IonicContact CG-OE1 2.88Å; H116-E118 IonicContact ND1-OE1 3.07Å; H116-E118 PolarHBondContact ND1-OE1 2.61Å; H116-E118 IonicContact ND1-OE2 2.97Å; H116-E118 PolarHBondContact O-N 3.31Å; H116-E118 VanDerWaalsContact O-N 3.13Å; H116-W119 HydrophobicContact CB-CD2 3.54Å; H116-W119 HydrophobicContact CB-CE3 3.99Å; H116-W119 HydrophobicContact CB-CG 4.03Å; H116-W119 HydrophobicContact CB-CH2 3.99Å; H116-W119 HydrophobicContact CB-CZ2 3.53Å; H116-W119 HydrophobicContact CB-CZ3 4.2Å; H116-W119 AromaticContact CD2-CZ2 3.55Å; H116-W119 AromaticContact CG-CE2 3.7Å; H116-W119 AromaticContact CG-CZ2 3.59Å; H116-W119 AromaticContact CG-NE1 3.9Å; H116-W119 PolarHBondContact O-N 3.09Å
117	P	98.5	Very high	98.7	Very high	90 Å²	90	60 Å²	60	58%	0.584	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-11.1	-179.1	31.2	-37.6	0	0	0	113.9	N111 H115 W119	N111-P117 WeakPolarHBondContact OD1-CA 3.27Å; H115-P117 VanDerWaalsContact C-CD 3.41Å; H115-P117 WeakPolarHBondContact O-CD 3.37Å; P117-W119 VanDerWaalsContact C-N 3.31Å
118	E	98.7	Very high	98.6	Very high	119 Å²	119	61.3 Å²	61.3	56%	0.556	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-12	175.4	74.9	-79.1	-170.9	0	0	114.2	H116	H116-E118 VanDerWaalsContact CA-OE2 3.24Å; H116-E118 WeakPolarHBondContact CA-OE2 3.18Å; H116-E118 IonicContact CE1-OE1 3.52Å; H116-E118 IonicContact CG-OE1 2.88Å; H116-E118 IonicContact ND1-OE1 3.07Å; H116-E118 PolarHBondContact ND1-OE1 2.61Å; H116-E118 IonicContact ND1-OE2 2.97Å; H116-E118 PolarHBondContact O-N 3.31Å; H116-E118 VanDerWaalsContact O-N 3.13Å
119	W	98.8	Very high	98.7	Very high	16 Å²	16	58.8 Å²	58.8	6%	0.061	33%	0.327	C	S	.	.	S	Bend	trans	-61.6	151.4	176.2	-69.1	-19.6	0	0	0	112.1	L88 M92 I100 I110 H114 H116 P117 F121	L88-W119 HydrophobicContact CD2-CE3 4.45Å; L88-W119 HydrophobicContact CD2-CH2 4.42Å; L88-W119 HydrophobicContact CD2-CZ3 3.73Å; L88-W119 HydrophobicContact CG-CH2 4.11Å; L88-W119 HydrophobicContact CG-CZ3 3.87Å; M92-W119 HydrophobicContact CB-CD2 4.3Å; M92-W119 HydrophobicContact CB-CH2 4.06Å; M92-W119 HydrophobicContact CB-CZ2 3.37Å; M92-W119 HydrophobicContact CE-CD2 4.47Å; M92-W119 HydrophobicContact CE-CG 4.24Å; M92-W119 HydrophobicContact CG-CD2 4.16Å; M92-W119 HydrophobicContact CG-CE3 4.38Å; M92-W119 HydrophobicContact CG-CH2 4.07Å; M92-W119 HydrophobicContact CG-CZ2 3.82Å; M92-W119 HydrophobicContact CG-CZ3 4.34Å; I100-W119 HydrophobicContact CD1-CB 4.25Å; I100-W119 HydrophobicContact CD1-CD2 4.27Å; I100-W119 HydrophobicContact CD1-CE3 3.84Å; I100-W119 HydrophobicContact CD1-CG 4.48Å; I110-W119 HydrophobicContact CG2-CE3 4.1Å; I110-W119 HydrophobicContact CG2-CZ3 3.85Å; H114-W119 HydrophobicContact CB-CH2 3.76Å; H114-W119 HydrophobicContact CB-CZ3 3.84Å; H116-W119 HydrophobicContact CB-CD2 3.54Å; H116-W119 HydrophobicContact CB-CE3 3.99Å; H116-W119 HydrophobicContact CB-CG 4.03Å; H116-W119 HydrophobicContact CB-CH2 3.99Å; H116-W119 HydrophobicContact CB-CZ2 3.53Å; H116-W119 HydrophobicContact CB-CZ3 4.2Å; H116-W119 AromaticContact CD2-CZ2 3.55Å; H116-W119 AromaticContact CG-CE2 3.7Å; H116-W119 AromaticContact CG-CZ2 3.59Å; H116-W119 AromaticContact CG-NE1 3.9Å; H116-W119 PolarHBondContact O-N 3.09Å; P117-W119 VanDerWaalsContact C-N 3.31Å; W119-F121 VanDerWaalsContact C-N 3.3Å; W119-F121 HydrophobicContact CB-CD2 4.37Å; W119-F121 HydrophobicContact CB-CE1 4.44Å; W119-F121 HydrophobicContact CB-CE2 3.84Å; W119-F121 HydrophobicContact CB-CZ 3.88Å; W119-F121 HydrophobicContact CE3-CE1 4.35Å; W119-F121 AromaticContact CE3-CZ 3.89Å; W119-F121 HydrophobicContact CE3-CZ 3.89Å; W119-F121 WeakPolarHBondContact O-CD2 3.3Å; W119-F121 PolarHBondContact O-N 2.78Å
120	N	98.7	Very high	98.7	Very high	75 Å²	75	58.7 Å²	58.7	40%	0.401	33%	0.325	S	S	.	.			trans	-80	71.6	-174	-68.5	-36.5	0	0	0	112	D97 I100 N122	D97-N120 PolarHBondContact O-ND2 3.49Å; I100-N120 PolarHBondContact N-O 3.33Å; N120-N122 PolarHBondContact O-ND2 2.84Å
121	F	98.9	Very high	98.7	Very high	37 Å²	37	63.6 Å²	63.6	16%	0.162	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	136.8	178.5	-61.3	-70.9	0	0	0	113.1	I100 I107 I110 W119	I100-F121 HydrophobicContact CB-CD1 4.05Å; I100-F121 HydrophobicContact CB-CE1 4.4Å; I100-F121 HydrophobicContact CD1-CD1 4.46Å; I100-F121 HydrophobicContact CD1-CE1 4.02Å; I100-F121 HydrophobicContact CG2-CD1 4.08Å; I100-F121 HydrophobicContact CG2-CE1 4.28Å; I100-F121 CarbonylContact O-C 3.39Å; I100-F121 WeakPolarHBondContact O-CA 3.42Å; I107-F121 HydrophobicContact CD1-CB 3.72Å; I107-F121 HydrophobicContact CD1-CG 4.31Å; I107-F121 HydrophobicContact CG1-CB 3.86Å; I107-F121 HydrophobicContact CG1-CD1 4.17Å; I107-F121 HydrophobicContact CG1-CG 3.94Å; I107-F121 HydrophobicContact CG2-CD2 4.16Å; I107-F121 HydrophobicContact CG2-CE2 4.46Å; I107-F121 HydrophobicContact CG2-CG 4.4Å; I110-F121 HydrophobicContact CB-CE1 4.22Å; I110-F121 HydrophobicContact CB-CZ 4.36Å; I110-F121 HydrophobicContact CD1-CD1 4.5Å; I110-F121 HydrophobicContact CD1-CE1 3.88Å; I110-F121 HydrophobicContact CG2-CE1 3.79Å; I110-F121 HydrophobicContact CG2-CZ 3.75Å; W119-F121 VanDerWaalsContact C-N 3.3Å; W119-F121 HydrophobicContact CB-CD2 4.37Å; W119-F121 HydrophobicContact CB-CE1 4.44Å; W119-F121 HydrophobicContact CB-CE2 3.84Å; W119-F121 HydrophobicContact CB-CZ 3.88Å; W119-F121 HydrophobicContact CE3-CE1 4.35Å; W119-F121 AromaticContact CE3-CZ 3.89Å; W119-F121 HydrophobicContact CE3-CZ 3.89Å; W119-F121 WeakPolarHBondContact O-CD2 3.3Å; W119-F121 PolarHBondContact O-N 2.78Å
122	N	98.9	Very high	98.7	Very high	61 Å²	61	61.9 Å²	61.9	33%	0.326	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	108.8	176	-69.3	-92	0	0	0	108.9	I100 Y101 C102 N120 V124	I100-N122 PolarHBondContact O-N 2.77Å; Y101-N122 WeakPolarHBondContact CA-O 3.35Å; Y101-N122 HydrophobicContact CD1-CB 3.76Å; Y101-N122 HydrophobicContact CE1-CB 3.8Å; Y101-N122 HydrophobicContact CG-CB 4.13Å; C102-N122 PolarHBondContact N-O 2.9Å; C102-N122 VanDerWaalsContact N-O 3.14Å; N120-N122 PolarHBondContact O-ND2 2.84Å; N122-V124 PolarHBondContact O-N 2.88Å
123	V	98.9	Very high	98.7	Very high	64 Å²	64	59.9 Å²	59.9	39%	0.388	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	124.2	179.3	177.3	0	0	0	0	110.1	C102 A104 I107	C102-V123 WeakPolarHBondContact O-CA 3.28Å; A104-V123 HydrophobicContact CB-CG1 3.94Å; A104-V123 HydrophobicContact CB-CG2 4.5Å; I107-V123 HydrophobicContact CD1-CG2 3.44Å; I107-V123 VanDerWaalsContact CD1-CG2 3.44Å
124	V	98.9	Very high	98.7	Very high	7 Å²	7	60.3 Å²	60.3	4%	0.042	33%	0.327	C	S	.	.			trans	-109.2	151.7	170.9	-61	0	0	0	0	111.2	Y101 C102 N122 D128 F140 M152	Y101-V124 HydrophobicContact CD1-CG1 3.71Å; Y101-V124 HydrophobicContact CG-CG1 4.48Å; C102-V124 WeakPolarHBondContact O-CG2 3.05Å; C102-V124 PolarHBondContact O-N 3.28Å; N122-V124 PolarHBondContact O-N 2.88Å; V124-D128 HydrophobicContact CB-CB 4.38Å; V124-F140 HydrophobicContact CB-CB 3.99Å; V124-F140 HydrophobicContact CB-CD1 4.45Å; V124-F140 HydrophobicContact CB-CD2 3.67Å; V124-F140 HydrophobicContact CB-CE2 4.27Å; V124-F140 HydrophobicContact CB-CG 3.77Å; V124-F140 HydrophobicContact CG1-CD2 3.53Å; V124-F140 HydrophobicContact CG1-CE2 3.61Å; V124-F140 HydrophobicContact CG1-CG 4.01Å; V124-F140 HydrophobicContact CG1-CZ 4.14Å; V124-F140 HydrophobicContact CG2-CB 3.81Å; V124-F140 HydrophobicContact CG2-CD1 3.93Å; V124-F140 HydrophobicContact CG2-CD2 4.06Å; V124-F140 HydrophobicContact CG2-CG 3.65Å; V124-M152 HydrophobicContact CG2-CE 3.98Å; V124-M152 HydrophobicContact CG2-SD 3.48Å; V124-M152 WeakPolarHBondContact CG2-SD 3.42Å
125	K	98.8	Very high	98.7	Very high	115 Å²	115	63 Å²	63	50%	0.5	36%	0.361	S	S	.	.			trans	-123.8	168	173.1	-63	-177.3	-168.1	67.2	0	110.8	G127 D128 E142	K125-G127 PolarHBondContact O-N 3.19Å; K125-G127 VanDerWaalsContact O-N 3.13Å; K125-D128 PolarHBondContact N-OD2 3.26Å; K125-D128 WeakPolarHBondContact O-CB 3.39Å; K125-D128 PolarHBondContact O-N 2.86Å; K125-E142 WeakPolarHBondContact CA-OE2 3.15Å; K125-E142 WeakPolarHBondContact CB-OE2 3.4Å
126	T	98.7	Very high	98.7	Very high	44 Å²	44	57.5 Å²	57.5	27%	0.27	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	121.9	173	-66.3	0	0	0	0	111.3	F140 V141 E142 F216	T126-F140 CarbonylContact C-O 3.59Å; T126-F140 WeakPolarHBondContact CA-O 3.47Å; T126-V141 HydrophobicContact CG2-CG1 4.3Å; T126-E142 PolarHBondContact N-OE2 2.89Å; T126-E142 PolarHBondContact OG1-N 3.45Å; T126-F216 HydrophobicContact CG2-CE2 4.33Å; T126-F216 HydrophobicContact CG2-CZ 3.68Å
127	G	98.1	Very high	98.7	Very high	44 Å²	44	57.9 Å²	57.9	45%	0.454	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.4	-8.7	178.6	0	0	0	0	0	114.9	K125 F140	K125-G127 PolarHBondContact O-N 3.19Å; K125-G127 VanDerWaalsContact O-N 3.13Å; G127-F140 PolarHBondContact N-O 3.03Å
128	D	98.7	Very high	98.7	Very high	69 Å²	69	53.6 Å²	53.6	37%	0.369	31%	0.308	S	S	.	.			trans	-63.8	149.5	169	-72.5	-19.4	0	0	0	109.9	V124 K125 I139 F140	V124-D128 HydrophobicContact CB-CB 4.38Å; K125-D128 PolarHBondContact N-OD2 3.26Å; K125-D128 WeakPolarHBondContact O-CB 3.39Å; K125-D128 PolarHBondContact O-N 2.86Å; D128-I139 WeakPolarHBondContact O-CA 3.48Å; D128-F140 HydrophobicContact CB-CD2 4.27Å; D128-F140 WeakPolarHBondContact O-CD2 3.37Å; D128-F140 PolarHBondContact O-N 3.06Å
129	T	98.9	Very high	98.7	Very high	77 Å²	77	49 Å²	49	47%	0.472	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.7	-174.7	63	0	0	0	0	112.5	L138 I139	T129-L138 CarbonylContact C-O 3.45Å; T129-L138 WeakPolarHBondContact CA-O 3.3Å; T129-I139 HydrophobicContact CG2-CG1 4.15Å
130	L	98.9	Very high	98.7	Very high	15 Å²	15	48.3 Å²	48.3	8%	0.079	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	111	172.3	-179.5	61.2	0	0	0	109.8	Y74 Y101 Q137 L138 F140	Y74-L130 HydrophobicContact CD2-CD1 4.27Å; Y74-L130 HydrophobicContact CD2-CD2 3.61Å; Y74-L130 HydrophobicContact CD2-CG 4.06Å; Y74-L130 HydrophobicContact CE2-CD1 3.93Å; Y74-L130 HydrophobicContact CE2-CD2 4.12Å; Y74-L130 HydrophobicContact CE2-CG 4.09Å; Y74-L130 HydrophobicContact CG-CD2 3.89Å; Y101-L130 HydrophobicContact CD1-CD2 4.13Å; Y101-L130 HydrophobicContact CD2-CD2 3.83Å; Y101-L130 HydrophobicContact CE1-CD1 4Å; Y101-L130 HydrophobicContact CE1-CD2 4Å; Y101-L130 HydrophobicContact CE2-CD1 4.33Å; Y101-L130 HydrophobicContact CE2-CD2 3.7Å; Y101-L130 HydrophobicContact CG-CD2 4.05Å; L130-Q137 CarbonylContact O-C 3.59Å; L130-Q137 VanDerWaalsContact O-CA 3.3Å; L130-Q137 WeakPolarHBondContact O-CA 3.42Å; L130-Q137 WeakPolarHBondContact O-CB 3.41Å; L130-L138 HydrophobicContact CB-CB 4.32Å; L130-L138 HydrophobicContact CD2-CD1 4.46Å; L130-L138 PolarHBondContact N-O 3.06Å; L130-L138 PolarHBondContact O-N 3.4Å; L130-F140 HydrophobicContact CB-CE2 3.87Å; L130-F140 HydrophobicContact CB-CZ 3.99Å; L130-F140 HydrophobicContact CD2-CZ 4.29Å
131	D	98.8	Very high	98.7	Very high	102 Å²	102	44.9 Å²	44.9	55%	0.545	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	133.6	177.6	-170.7	2.2	0	0	0	110.4	G133 K136	D131-G133 PolarHBondContact OD1-N 3.41Å; D131-K136 VanDerWaalsContact OD1-O 3.05Å
132	I	98.9	Very high	98.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	7	178.1	64.8	169.3	0	0	0	112.3	I40 E42 E43 K44 V46 K136 L138 L156	I40-I132 HydrophobicContact CG2-CD1 3.71Å; E42-I132 HydrophobicContact CB-CB 4.42Å; E42-I132 HydrophobicContact CB-CD1 4.09Å; E42-I132 HydrophobicContact CB-CG1 4.13Å; E42-I132 VanDerWaalsContact CB-O 3.22Å; E42-I132 WeakPolarHBondContact CB-O 3.45Å; E42-I132 HydrophobicContact CG-CD1 3.69Å; E42-I132 HydrophobicContact CG-CG1 4.16Å; E43-I132 PolarHBondContact N-O 2.89Å; K44-I132 HydrophobicContact CB-CB 4.08Å; K44-I132 HydrophobicContact CB-CG2 4.32Å; K44-I132 PolarHBondContact N-O 3.23Å; V46-I132 HydrophobicContact CG2-CG2 3.59Å; I132-K136 HydrophobicContact CD1-CB 4.3Å; I132-K136 HydrophobicContact CG1-CB 4.04Å; I132-K136 WeakPolarHBondContact CG1-O 3.49Å; I132-K136 PolarHBondContact N-O 3.06Å; I132-K136 VanDerWaalsContact N-O 3.12Å; I132-L138 HydrophobicContact CG2-CD1 4.37Å; I132-L138 HydrophobicContact CG2-CG 4.21Å; I132-L156 HydrophobicContact CD1-CD1 3.58Å; I132-L156 HydrophobicContact CG1-CD1 4.49Å
133	G	98.6	Very high	98.7	Very high	8 Å²	8	43.4 Å²	43.4	8%	0.082	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	84.9	-179.2	180	0	0	0	0	0	114.1	E43 D131 G135 K136	E43-G133 WeakPolarHBondContact OE1-CA 3.45Å; D131-G133 PolarHBondContact OD1-N 3.41Å; G133-G135 PolarHBondContact O-N 3.42Å; G133-K136 PolarHBondContact O-N 3.23Å
134	N	98.2	Very high	98.7	Very high	100 Å²	100	43.5 Å²	43.5	54%	0.535	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	27	-175.9	-62	-39.8	0	0	0	114.1	E42 E43 K136	E42-N134 PolarHBondContact OE2-ND2 2.84Å; E43-N134 PolarHBondContact OE1-N 3.11Å; N134-K136 VanDerWaalsContact C-N 3.26Å; N134-K136 PolarHBondContact O-N 2.79Å
135	G	98.3	Very high	98.7	Very high	78 Å²	78	46.7 Å²	46.7	80%	0.804	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	14.1	-177.3	0	0	0	0	0	114.5	G133	G133-G135 PolarHBondContact O-N 3.42Å
136	K	98.8	Very high	98.6	Very high	27 Å²	27	42.2 Å²	42.2	12%	0.117	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	146.4	178.4	-59.3	-177	-174.1	176	0	110.8	E42 D131 I132 G133 N134 L156 T157 D159	E42-K136 HydrophobicContact CG-CD 4.21Å; E42-K136 IonicContact OE1-NZ 3.49Å; E42-K136 PolarHBondContact OE1-NZ 3.19Å; D131-K136 VanDerWaalsContact OD1-O 3.05Å; I132-K136 HydrophobicContact CD1-CB 4.3Å; I132-K136 HydrophobicContact CG1-CB 4.04Å; I132-K136 WeakPolarHBondContact CG1-O 3.49Å; I132-K136 PolarHBondContact N-O 3.06Å; I132-K136 VanDerWaalsContact N-O 3.12Å; G133-K136 PolarHBondContact O-N 3.23Å; N134-K136 VanDerWaalsContact C-N 3.26Å; N134-K136 PolarHBondContact O-N 2.79Å; K136-L156 HydrophobicContact CB-CD1 4.09Å; K136-L156 HydrophobicContact CD-CD1 4.48Å; K136-T157 WeakPolarHBondContact CA-OG1 3.45Å; K136-D159 IonicContact NZ-OD1 3.35Å; K136-D159 PolarHBondContact NZ-OD1 2.84Å; K136-D159 IonicContact NZ-OD2 3.32Å; K136-D159 PolarHBondContact NZ-OD2 3.34Å
137	Q	98.9	Very high	98.5	Very high	67 Å²	67	40.7 Å²	40.7	31%	0.313	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	155.4	176.4	65.4	-176.1	12.8	0	0	110.3	L130 I139 T157	L130-Q137 CarbonylContact O-C 3.59Å; L130-Q137 VanDerWaalsContact O-CA 3.3Å; L130-Q137 WeakPolarHBondContact O-CA 3.42Å; L130-Q137 WeakPolarHBondContact O-CB 3.41Å; Q137-I139 HydrophobicContact CG-CG1 4.49Å; Q137-T157 HydrophobicContact CG-CG2 3.69Å; Q137-T157 PolarHBondContact N-OG1 3.04Å; Q137-T157 PolarHBondContact O-N 3.01Å; Q137-T157 PolarHBondContact O-OG1 3.14Å
138	L	98.9	Very high	98.6	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	141.9	168	-54.8	178.9	0	0	0	109.4	I40 V46 V76 T129 L130 I132 F140 T154 Y155 L156	I40-L138 HydrophobicContact CD1-CD2 3.96Å; V46-L138 HydrophobicContact CB-CD1 4.41Å; V46-L138 HydrophobicContact CG1-CD1 3.84Å; V46-L138 HydrophobicContact CG2-CD1 4.31Å; V76-L138 HydrophobicContact CG2-CD1 4.08Å; T129-L138 CarbonylContact C-O 3.45Å; T129-L138 WeakPolarHBondContact CA-O 3.3Å; L130-L138 HydrophobicContact CB-CB 4.32Å; L130-L138 HydrophobicContact CD2-CD1 4.46Å; L130-L138 PolarHBondContact N-O 3.06Å; L130-L138 PolarHBondContact O-N 3.4Å; I132-L138 HydrophobicContact CG2-CD1 4.37Å; I132-L138 HydrophobicContact CG2-CG 4.21Å; L138-F140 HydrophobicContact CB-CZ 4.21Å; L138-T154 HydrophobicContact CB-CG2 3.96Å; L138-T154 HydrophobicContact CD1-CG2 4.2Å; L138-T154 HydrophobicContact CD2-CG2 4.03Å; L138-T154 HydrophobicContact CG-CG2 4.29Å; L138-Y155 CarbonylContact C-O 3.55Å; L138-Y155 VanDerWaalsContact CA-O 3.28Å; L138-Y155 WeakPolarHBondContact CA-O 3.45Å; L138-L156 HydrophobicContact CD2-CB 4.01Å; L138-L156 HydrophobicContact CD2-CD1 3.82Å; L138-L156 HydrophobicContact CD2-CG 4.46Å
139	I	98.9	Very high	98.5	Very high	22 Å²	22	41.8 Å²	41.8	11%	0.113	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.6	173.2	-52.7	-178.8	0	0	0	107.3	D128 T129 Q137 Y155 T157 L218	D128-I139 WeakPolarHBondContact O-CA 3.48Å; T129-I139 HydrophobicContact CG2-CG1 4.15Å; Q137-I139 HydrophobicContact CG-CG1 4.49Å; I139-Y155 HydrophobicContact CB-CD1 4.34Å; I139-Y155 HydrophobicContact CD1-CD1 4.03Å; I139-Y155 HydrophobicContact CD1-CE1 4.43Å; I139-Y155 HydrophobicContact CG1-CD1 4.27Å; I139-Y155 PolarHBondContact N-O 3.01Å; I139-Y155 PolarHBondContact O-N 3.05Å; I139-T157 HydrophobicContact CD1-CG2 3.71Å; I139-T157 HydrophobicContact CG1-CG2 4.08Å; I139-L218 HydrophobicContact CD1-CD1 4.22Å; I139-L218 HydrophobicContact CD1-CD2 4.26Å
140	F	98.9	Very high	98.5	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	143.2	-178.6	-53.5	-76.9	0	0	0	110.9	V76 Y101 V124 T126 G127 D128 L130 L138 M152 T154	V76-F140 HydrophobicContact CG1-CE1 4Å; V76-F140 HydrophobicContact CG2-CE1 4.06Å; V76-F140 HydrophobicContact CG2-CZ 4.45Å; Y101-F140 HydrophobicContact CD1-CE2 4.5Å; Y101-F140 HydrophobicContact CD1-CZ 4.35Å; Y101-F140 HydrophobicContact CG-CZ 4.47Å; V124-F140 HydrophobicContact CB-CB 3.99Å; V124-F140 HydrophobicContact CB-CD1 4.45Å; V124-F140 HydrophobicContact CB-CD2 3.67Å; V124-F140 HydrophobicContact CB-CE2 4.27Å; V124-F140 HydrophobicContact CB-CG 3.77Å; V124-F140 HydrophobicContact CG1-CD2 3.53Å; V124-F140 HydrophobicContact CG1-CE2 3.61Å; V124-F140 HydrophobicContact CG1-CG 4.01Å; V124-F140 HydrophobicContact CG1-CZ 4.14Å; V124-F140 HydrophobicContact CG2-CB 3.81Å; V124-F140 HydrophobicContact CG2-CD1 3.93Å; V124-F140 HydrophobicContact CG2-CD2 4.06Å; V124-F140 HydrophobicContact CG2-CG 3.65Å; T126-F140 CarbonylContact C-O 3.59Å; T126-F140 WeakPolarHBondContact CA-O 3.47Å; G127-F140 PolarHBondContact N-O 3.03Å; D128-F140 HydrophobicContact CB-CD2 4.27Å; D128-F140 WeakPolarHBondContact O-CD2 3.37Å; D128-F140 PolarHBondContact O-N 3.06Å; L130-F140 HydrophobicContact CB-CE2 3.87Å; L130-F140 HydrophobicContact CB-CZ 3.99Å; L130-F140 HydrophobicContact CD2-CZ 4.29Å; L138-F140 HydrophobicContact CB-CZ 4.21Å; F140-M152 HydrophobicContact CB-SD 4.47Å; F140-M152 HydrophobicContact CD1-CE 3.85Å; F140-M152 HydrophobicContact CD1-SD 4.23Å; F140-M152 HydrophobicContact CE1-CE 4.27Å; F140-T154 HydrophobicContact CD1-CG2 4.17Å; F140-T154 HydrophobicContact CE1-CG2 4.01Å
141	V	98.8	Very high	98.5	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	110	176.8	-176.5	0	0	0	0	108.9	T126 M152 M153 K209 I213 F216	T126-V141 HydrophobicContact CG2-CG1 4.3Å; V141-M152 CarbonylContact O-C 3.53Å; V141-M152 WeakPolarHBondContact O-CA 3.26Å; V141-M152 WeakPolarHBondContact O-CB 3.33Å; V141-M153 PolarHBondContact N-O 2.99Å; V141-M153 PolarHBondContact O-N 2.68Å; V141-K209 HydrophobicContact CG1-CD 4.36Å; V141-I213 HydrophobicContact CG1-CD1 4.44Å; V141-I213 HydrophobicContact CG1-CG1 4.05Å; V141-F216 HydrophobicContact CG1-CE2 4.27Å; V141-F216 HydrophobicContact CG2-CD2 4.47Å; V141-F216 HydrophobicContact CG2-CE2 3.84Å
142	E	98.8	Very high	98.5	Very high	64 Å²	64	33 Å²	33	30%	0.299	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	135	177.1	-65.3	169.3	91.6	0	0	110.3	T103 K125 T126 P144 K209	T103-E142 HydrophobicContact CG2-CG 4.19Å; K125-E142 WeakPolarHBondContact CA-OE2 3.15Å; K125-E142 WeakPolarHBondContact CB-OE2 3.4Å; T126-E142 PolarHBondContact N-OE2 2.89Å; T126-E142 PolarHBondContact OG1-N 3.45Å; E142-P144 VanDerWaalsContact C-CD 3.45Å; E142-K209 WeakPolarHBondContact O-CE 3.46Å; E142-K209 PolarHBondContact O-NZ 3.35Å
143	T	98.7	Very high	98.5	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	19%	0.193	C	C	.	.			trans	-131	57.8	178.1	59.3	0	0	0	0	111	M145 L146 S151 M152 M153 K209	T143-M145 PolarHBondContact O-N 3.21Å; T143-L146 WeakPolarHBondContact O-CB 3.4Å; T143-L146 PolarHBondContact O-N 2.93Å; T143-S151 CarbonylContact C-O 3.6Å; T143-S151 WeakPolarHBondContact CA-O 3.43Å; T143-S151 PolarHBondContact N-O 3.2Å; T143-S151 VanDerWaalsContact OG1-C 3.32Å; T143-S151 PolarHBondContact OG1-O 2.95Å; T143-M152 WeakPolarHBondContact OG1-CA 3.38Å; T143-M152 PolarHBondContact OG1-N 3.17Å; T143-M153 HydrophobicContact CG2-CE 4.03Å; T143-M153 HydrophobicContact CG2-CG 3.87Å; T143-M153 HydrophobicContact CG2-SD 4.29Å; T143-K209 HydrophobicContact CG2-CD 3.84Å; T143-K209 HydrophobicContact CG2-CG 3.87Å
144	P	98.3	Very high	98.6	Very high	67 Å²	67	32.9 Å²	32.9	44%	0.435	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	135.3	-173.6	26.8	-35.7	0	0	0	111.1	E142 L146	E142-P144 VanDerWaalsContact C-CD 3.45Å; P144-L146 VanDerWaalsContact C-N 3.26Å; P144-L146 PolarHBondContact O-N 3.33Å
145	M	98.1	Very high	98.6	Very high	74 Å²	74	28.7 Å²	28.7	37%	0.365	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	25.6	-174.2	-54.4	-58.8	-53.1	0	0	114.3	T143 H147 W148 P149 F202 L205	T143-M145 PolarHBondContact O-N 3.21Å; M145-H147 VanDerWaalsContact C-CA 3.41Å; M145-W148 WeakPolarHBondContact CA-O 3.43Å; M145-W148 PolarHBondContact N-O 3.4Å; M145-P149 HydrophobicContact SD-CB 4.44Å; M145-P149 HydrophobicContact SD-CG 3.77Å; M145-F202 HydrophobicContact CB-CD1 4.3Å; M145-F202 HydrophobicContact CE-CD1 4.34Å; M145-F202 HydrophobicContact CE-CE1 3.6Å; M145-F202 HydrophobicContact CE-CZ 4.25Å; M145-F202 WeakPolarHBondContact O-CB 3.33Å; M145-F202 WeakPolarHBondContact O-CD1 3.38Å; M145-F202 WeakPolarHBondContact O-CG 3.49Å; M145-L205 HydrophobicContact CB-CD1 3.55Å
146	L	97.4	Very high	98.6	Very high	20 Å²	20	25 Å²	25	11%	0.105	13%	0.127	C	C	.	.	S	Bend	trans	-123	65.2	167.5	-67.6	171.4	0	0	0	110.1	T143 P144 S151 F202 L205 V206 K209	T143-L146 WeakPolarHBondContact O-CB 3.4Å; T143-L146 PolarHBondContact O-N 2.93Å; P144-L146 VanDerWaalsContact C-N 3.26Å; P144-L146 PolarHBondContact O-N 3.33Å; L146-S151 WeakPolarHBondContact O-CB 3.4Å; L146-F202 HydrophobicContact CD2-CB 3.98Å; L146-L205 HydrophobicContact CD1-CB 4.25Å; L146-L205 HydrophobicContact CD2-CB 4.01Å; L146-L205 HydrophobicContact CG-CB 4.13Å; L146-V206 HydrophobicContact CD2-CG2 3.8Å; L146-K209 HydrophobicContact CD1-CB 3.8Å; L146-K209 HydrophobicContact CD1-CG 3.92Å
147	H	97.9	Very high	98.6	Very high	13 Å²	13	24.8 Å²	24.8	6%	0.06	13%	0.129	C	C	.	.	S	Bend	cis	-113.5	-3.3	6.2	69.8	86.1	0	0	0	115.7	E81 M145 S151 D166 L199 F202	E81-H147 IonicContact OE2-CE1 2.72Å; E81-H147 PolarHBondContact OE2-CE1 3.31Å; E81-H147 IonicContact OE2-NE2 2.98Å; M145-H147 VanDerWaalsContact C-CA 3.41Å; H147-S151 PolarHBondContact N-OG 3.22Å; H147-D166 IonicContact CD2-OD2 2.67Å; H147-D166 PolarHBondContact CD2-OD2 3.34Å; H147-D166 IonicContact NE2-OD2 3.86Å; H147-D166 PolarHBondContact NE2-OD2 3.49Å; H147-L199 HydrophobicContact CB-CD2 3.92Å; H147-F202 HydrophobicContact CB-CD2 3.89Å; H147-F202 HydrophobicContact CB-CE2 3.72Å
148	W	98.1	Very high	98.6	Very high	71 Å²	71	24.7 Å²	24.7	27%	0.269	15%	0.146	S	C	.	.	S	Bend	trans	-112.1	164.9	175.2	-88.1	29.2	0	0	0	112.6	H79 E81 M145 D150 S151	H79-W148 VanDerWaalsContact CE1-CB 3.46Å; H79-W148 WeakPolarHBondContact CE1-CB 3.36Å; H79-W148 AromaticContact CE1-CD2 3.4Å; H79-W148 AromaticContact CE1-CE3 3.42Å; H79-W148 VanDerWaalsContact CE1-CE3 3.42Å; H79-W148 AromaticContact CE1-CG 3.45Å; H79-W148 VanDerWaalsContact CE1-CG 3.45Å; E81-W148 HydrophobicContact CB-CH2 3.92Å; E81-W148 HydrophobicContact CB-CZ2 4.2Å; E81-W148 HydrophobicContact CB-CZ3 4.19Å; E81-W148 HydrophobicContact CG-CH2 3.88Å; E81-W148 HydrophobicContact CG-CZ2 3.92Å; M145-W148 WeakPolarHBondContact CA-O 3.43Å; M145-W148 PolarHBondContact N-O 3.4Å; W148-D150 WeakPolarHBondContact CB-OD1 3.46Å; W148-D150 PolarHBondContact O-N 2.95Å; W148-S151 PolarHBondContact N-OG 3.36Å; W148-S151 PolarHBondContact O-N 3.22Å; W148-S151 PolarHBondContact O-OG 3.29Å
149	P	98.5	Very high	98.6	Very high	65 Å²	65	24.9 Å²	24.9	42%	0.422	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.4	174.7	-24.3	33.7	0	0	0	114.1	N105 M145	N105-P149 HydrophobicContact CB-CB 4.24Å; N105-P149 WeakPolarHBondContact CB-O 3.2Å; N105-P149 PolarHBondContact ND2-O 3.39Å; M145-P149 HydrophobicContact SD-CB 4.44Å; M145-P149 HydrophobicContact SD-CG 3.77Å
150	D	98.8	Very high	98.6	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-15.7	-175.9	69.9	-14.7	0	0	0	114.8	H79 A80 T103 N105 A106 S109 W148 M152	H79-D150 IonicContact CE1-OD1 3.8Å; H79-D150 PolarHBondContact CE1-OD1 3.36Å; H79-D150 IonicContact CG-OD1 3.65Å; H79-D150 IonicContact ND1-OD1 3.49Å; H79-D150 PolarHBondContact ND1-OD1 2.91Å; H79-D150 IonicContact ND1-OD2 3.6Å; A80-D150 WeakPolarHBondContact CB-OD2 3.48Å; A80-D150 PolarHBondContact N-OD2 2.97Å; T103-D150 VanDerWaalsContact CG2-O 3.22Å; T103-D150 WeakPolarHBondContact CG2-O 3.37Å; T103-D150 WeakPolarHBondContact OG1-CA 3.44Å; T103-D150 PolarHBondContact OG1-O 3.36Å; N105-D150 HydrophobicContact CB-CB 4.07Å; A106-D150 HydrophobicContact CB-CB 3.88Å; S109-D150 PolarHBondContact OG-OD2 3.47Å; W148-D150 WeakPolarHBondContact CB-OD1 3.46Å; W148-D150 PolarHBondContact O-N 2.95Å; D150-M152 PolarHBondContact O-N 3.27Å
151	S	98.8	Very high	98.6	Very high	4 Å²	4	24 Å²	24	3%	0.028	14%	0.143	C	C	.	.			trans	-57.3	133.4	-172.6	-51.6	0	0	0	0	112.2	N78 T143 L146 H147 W148	N78-S151 CarbonylContact O-C 3.46Å; N78-S151 WeakPolarHBondContact O-CA 3.5Å; T143-S151 CarbonylContact C-O 3.6Å; T143-S151 WeakPolarHBondContact CA-O 3.43Å; T143-S151 PolarHBondContact N-O 3.2Å; T143-S151 VanDerWaalsContact OG1-C 3.32Å; T143-S151 PolarHBondContact OG1-O 2.95Å; L146-S151 WeakPolarHBondContact O-CB 3.4Å; H147-S151 PolarHBondContact N-OG 3.22Å; W148-S151 PolarHBondContact N-OG 3.36Å; W148-S151 PolarHBondContact O-N 3.22Å; W148-S151 PolarHBondContact O-OG 3.29Å
152	M	98.9	Very high	98.6	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	171	167.7	66.9	174.7	-166.3	0	0	111	V76 I77 N78 T103 V124 F140 V141 T143 D150	V76-M152 HydrophobicContact CG1-CE 3.71Å; I77-M152 WeakPolarHBondContact O-CE 3.29Å; N78-M152 HydrophobicContact CB-CG 4.33Å; N78-M152 WeakPolarHBondContact CB-O 3.39Å; N78-M152 PolarHBondContact O-N 2.98Å; T103-M152 HydrophobicContact CG2-CB 3.63Å; T103-M152 HydrophobicContact CG2-CG 3.81Å; T103-M152 HydrophobicContact CG2-SD 3.66Å; V124-M152 HydrophobicContact CG2-CE 3.98Å; V124-M152 HydrophobicContact CG2-SD 3.48Å; V124-M152 WeakPolarHBondContact CG2-SD 3.42Å; F140-M152 HydrophobicContact CB-SD 4.47Å; F140-M152 HydrophobicContact CD1-CE 3.85Å; F140-M152 HydrophobicContact CD1-SD 4.23Å; F140-M152 HydrophobicContact CE1-CE 4.27Å; V141-M152 CarbonylContact O-C 3.53Å; V141-M152 WeakPolarHBondContact O-CA 3.26Å; V141-M152 WeakPolarHBondContact O-CB 3.33Å; T143-M152 WeakPolarHBondContact OG1-CA 3.38Å; T143-M152 PolarHBondContact OG1-N 3.17Å; D150-M152 PolarHBondContact O-N 3.27Å
153	M	98.9	Very high	98.6	Very high	6 Å²	6	21.3 Å²	21.3	3%	0.03	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	153.5	168.2	-55.2	-175.6	-178.3	0	0	109.7	V141 T143 L162 F163 A167 F168 I213	V141-M153 PolarHBondContact N-O 2.99Å; V141-M153 PolarHBondContact O-N 2.68Å; T143-M153 HydrophobicContact CG2-CE 4.03Å; T143-M153 HydrophobicContact CG2-CG 3.87Å; T143-M153 HydrophobicContact CG2-SD 4.29Å; M153-L162 HydrophobicContact CB-CD1 4.02Å; M153-L162 HydrophobicContact SD-CD1 4.26Å; M153-L162 HydrophobicContact SD-CD2 4.14Å; M153-L162 HydrophobicContact SD-CG 4.45Å; M153-F163 WeakPolarHBondContact CA-O 3.37Å; M153-A167 HydrophobicContact CE-CB 3.3Å; M153-F168 HydrophobicContact CE-CE2 4.17Å; M153-I213 HydrophobicContact SD-CD1 3.92Å
154	T	99	Very high	98.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.2	175.8	-62.1	0	0	0	0	109.5	I48 V76 N78 L138 F140 F163	I48-T154 HydrophobicContact CD1-CG2 4.3Å; V76-T154 HydrophobicContact CG1-CG2 4.48Å; V76-T154 WeakPolarHBondContact CG1-OG1 3.29Å; N78-T154 PolarHBondContact OD1-N 3.46Å; N78-T154 PolarHBondContact OD1-OG1 2.89Å; L138-T154 HydrophobicContact CB-CG2 3.96Å; L138-T154 HydrophobicContact CD1-CG2 4.2Å; L138-T154 HydrophobicContact CD2-CG2 4.03Å; L138-T154 HydrophobicContact CG-CG2 4.29Å; F140-T154 HydrophobicContact CD1-CG2 4.17Å; F140-T154 HydrophobicContact CE1-CG2 4.01Å; T154-F163 PolarHBondContact N-O 3.27Å; T154-F163 WeakPolarHBondContact O-CA 3.4Å; T154-F163 WeakPolarHBondContact O-CB 3.32Å; T154-F163 WeakPolarHBondContact O-CD2 3.44Å; T154-F163 PolarHBondContact O-N 2.99Å
155	Y	98.9	Very high	98.6	Very high	11 Å²	11	18.5 Å²	18.5	4%	0.043	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133	178.9	172.4	-92.2	0	0	0	110.8	L138 I139 T157 L162 L218 P219	L138-Y155 CarbonylContact C-O 3.55Å; L138-Y155 VanDerWaalsContact CA-O 3.28Å; L138-Y155 WeakPolarHBondContact CA-O 3.45Å; I139-Y155 HydrophobicContact CB-CD1 4.34Å; I139-Y155 HydrophobicContact CD1-CD1 4.03Å; I139-Y155 HydrophobicContact CD1-CE1 4.43Å; I139-Y155 HydrophobicContact CG1-CD1 4.27Å; I139-Y155 PolarHBondContact N-O 3.01Å; I139-Y155 PolarHBondContact O-N 3.05Å; Y155-T157 HydrophobicContact CD1-CG2 4.27Å; Y155-T157 HydrophobicContact CE1-CG2 3.88Å; Y155-L162 HydrophobicContact CD2-CB 4.47Å; Y155-L218 HydrophobicContact CD1-CD1 3.73Å; Y155-L218 HydrophobicContact CD1-CD2 4.43Å; Y155-L218 HydrophobicContact CD1-CG 4.5Å; Y155-L218 HydrophobicContact CD2-CD1 4.5Å; Y155-L218 HydrophobicContact CE1-CB 4.11Å; Y155-L218 HydrophobicContact CE1-CD1 3.87Å; Y155-L218 HydrophobicContact CE1-CD2 3.81Å; Y155-L218 HydrophobicContact CE1-CG 4.13Å; Y155-L218 HydrophobicContact CE2-CB 4.09Å; Y155-L218 HydrophobicContact CG-CD1 4.05Å; Y155-P219 VanDerWaalsContact CE2-O 3.23Å; Y155-P219 WeakPolarHBondContact CE2-O 3.19Å; Y155-P219 PolarHBondContact OH-O 2.95Å
156	L	98.9	Very high	98.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119	176.2	173.1	61.8	0	0	0	111.2	I9 I40 I132 K136 L138 D159 A160 V161 F163	I9-L156 HydrophobicContact CD1-CD2 3.64Å; I9-L156 HydrophobicContact CG1-CD2 3.98Å; I40-L156 HydrophobicContact CD1-CD2 4.11Å; I40-L156 HydrophobicContact CG2-CD2 4.28Å; I132-L156 HydrophobicContact CD1-CD1 3.58Å; I132-L156 HydrophobicContact CG1-CD1 4.49Å; K136-L156 HydrophobicContact CB-CD1 4.09Å; K136-L156 HydrophobicContact CD-CD1 4.48Å; L138-L156 HydrophobicContact CD2-CB 4.01Å; L138-L156 HydrophobicContact CD2-CD1 3.82Å; L138-L156 HydrophobicContact CD2-CG 4.46Å; L156-D159 HydrophobicContact CD2-CB 3.92Å; L156-D159 WeakPolarHBondContact CD2-OD2 3.47Å; L156-D159 HydrophobicContact CG-CB 4.2Å; L156-A160 WeakPolarHBondContact O-CA 3.22Å; L156-A160 PolarHBondContact O-N 3.43Å; L156-A160 VanDerWaalsContact O-N 3.09Å; L156-V161 PolarHBondContact N-O 2.9Å; L156-V161 PolarHBondContact O-N 3.34Å; L156-F163 HydrophobicContact CB-CE2 3.93Å; L156-F163 HydrophobicContact CD2-CE2 4.47Å
157	T	98.8	Very high	98.7	Very high	24 Å²	24	14.8 Å²	14.8	15%	0.147	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	158.5	175.6	68	0	0	0	0	112.1	K136 Q137 I139 Y155 D159	K136-T157 WeakPolarHBondContact CA-OG1 3.45Å; Q137-T157 HydrophobicContact CG-CG2 3.69Å; Q137-T157 PolarHBondContact N-OG1 3.04Å; Q137-T157 PolarHBondContact O-N 3.01Å; Q137-T157 PolarHBondContact O-OG1 3.14Å; I139-T157 HydrophobicContact CD1-CG2 3.71Å; I139-T157 HydrophobicContact CG1-CG2 4.08Å; Y155-T157 HydrophobicContact CD1-CG2 4.27Å; Y155-T157 HydrophobicContact CE1-CG2 3.88Å; T157-D159 PolarHBondContact O-N 2.95Å
158	G	98.4	Very high	98.8	Very high	65 Å²	65	14.5 Å²	14.5	67%	0.67	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	-61.8	-178	0	0	0	0	0	112.1	A160	G158-A160 PolarHBondContact O-N 3.24Å
159	D	98.7	Very high	98.8	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.021	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-16.3	176	-65.7	-33	0	0	0	112.9	K6 N7 I9 K136 L156 T157 V161	K6-D159 HydrophobicContact CD-CB 4.39Å; K6-D159 WeakPolarHBondContact CE-O 3.32Å; K6-D159 PolarHBondContact NZ-O 2.74Å; N7-D159 PolarHBondContact ND2-OD1 3.12Å; I9-D159 HydrophobicContact CD1-CB 4.05Å; K136-D159 IonicContact NZ-OD1 3.35Å; K136-D159 PolarHBondContact NZ-OD1 2.84Å; K136-D159 IonicContact NZ-OD2 3.32Å; K136-D159 PolarHBondContact NZ-OD2 3.34Å; L156-D159 HydrophobicContact CD2-CB 3.92Å; L156-D159 WeakPolarHBondContact CD2-OD2 3.47Å; L156-D159 HydrophobicContact CG-CB 4.2Å; T157-D159 PolarHBondContact O-N 2.95Å; D159-V161 VanDerWaalsContact C-N 3.33Å; D159-V161 HydrophobicContact CB-CG2 4.07Å; D159-V161 WeakPolarHBondContact O-CG2 3.41Å; D159-V161 PolarHBondContact O-N 3.18Å
160	A	98.7	Very high	98.8	Very high	5 Å²	5	8 Å²	8	4%	0.041	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	45.9	176.4	0	0	0	0	0	112.6	L156 G158 P219 D221 M222	L156-A160 WeakPolarHBondContact O-CA 3.22Å; L156-A160 PolarHBondContact O-N 3.43Å; L156-A160 VanDerWaalsContact O-N 3.09Å; G158-A160 PolarHBondContact O-N 3.24Å; A160-P219 HydrophobicContact CB-CB 4.08Å; A160-P219 WeakPolarHBondContact CB-O 3.4Å; A160-D221 HydrophobicContact CB-CB 4.01Å; A160-D221 PolarHBondContact O-N 3.36Å; A160-M222 PolarHBondContact O-N 3.15Å
161	V	98.9	Very high	98.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.2	179.5	-176.7	0	0	0	0	109.7	K6 I9 L156 D159 F163 M222 A224	K6-V161 HydrophobicContact CD-CG2 4.21Å; I9-V161 HydrophobicContact CD1-CB 4.15Å; I9-V161 HydrophobicContact CD1-CG2 3.61Å; L156-V161 PolarHBondContact N-O 2.9Å; L156-V161 PolarHBondContact O-N 3.34Å; D159-V161 VanDerWaalsContact C-N 3.33Å; D159-V161 HydrophobicContact CB-CG2 4.07Å; D159-V161 WeakPolarHBondContact O-CG2 3.41Å; D159-V161 PolarHBondContact O-N 3.18Å; V161-F163 HydrophobicContact CB-CE2 4.31Å; V161-F163 HydrophobicContact CB-CZ 4.35Å; V161-F163 HydrophobicContact CG1-CD1 4.49Å; V161-F163 HydrophobicContact CG1-CD2 4.49Å; V161-F163 HydrophobicContact CG1-CE1 4.06Å; V161-F163 HydrophobicContact CG1-CE2 4.06Å; V161-F163 HydrophobicContact CG1-CZ 3.84Å; V161-M222 WeakPolarHBondContact CA-O 3.41Å; V161-M222 HydrophobicContact CG1-CB 4.28Å; V161-M222 HydrophobicContact CG2-CB 4.17Å; V161-A224 HydrophobicContact CG1-CB 3.85Å
162	L	98.9	Very high	98.8	Very high	10 Å²	10	8.2 Å²	8.2	5%	0.052	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.5	172	179.7	65.9	0	0	0	109.6	M153 Y155 S164 F168 V220 M222 I223 A224	M153-L162 HydrophobicContact CB-CD1 4.02Å; M153-L162 HydrophobicContact SD-CD1 4.26Å; M153-L162 HydrophobicContact SD-CD2 4.14Å; M153-L162 HydrophobicContact SD-CG 4.45Å; Y155-L162 HydrophobicContact CD2-CB 4.47Å; L162-S164 PolarHBondContact O-N 2.75Å; L162-F168 HydrophobicContact CD2-CE2 4.46Å; L162-V220 HydrophobicContact CB-CG1 4.49Å; L162-M222 PolarHBondContact N-O 3.45Å; L162-I223 HydrophobicContact CB-CG1 4.42Å; L162-I223 HydrophobicContact CD2-CG1 4.5Å; L162-I223 CarbonylContact O-C 3.6Å; L162-I223 WeakPolarHBondContact O-CA 3.48Å; L162-A224 PolarHBondContact O-N 2.75Å
163	F	99	Very high	98.8	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.009	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	94.5	169.5	-56.4	-84	0	0	0	108.6	I9 Y38 I40 I48 M153 T154 L156 V161 A224	I9-F163 HydrophobicContact CD1-CZ 4.3Å; I9-F163 HydrophobicContact CG2-CE1 4.07Å; I9-F163 HydrophobicContact CG2-CZ 3.9Å; Y38-F163 HydrophobicContact CD1-CD1 4.48Å; Y38-F163 HydrophobicContact CD1-CE1 4Å; Y38-F163 AromaticContact CD2-CD1 3.59Å; Y38-F163 HydrophobicContact CD2-CD1 3.59Å; Y38-F163 AromaticContact CD2-CE1 3.85Å; Y38-F163 HydrophobicContact CD2-CE1 3.85Å; Y38-F163 AromaticContact CE2-CD1 3.99Å; Y38-F163 HydrophobicContact CE2-CD1 3.99Å; Y38-F163 HydrophobicContact CE2-CE1 4.44Å; Y38-F163 AromaticContact CG-CD1 3.86Å; Y38-F163 HydrophobicContact CG-CD1 3.86Å; Y38-F163 AromaticContact CG-CE1 3.59Å; Y38-F163 HydrophobicContact CG-CE1 3.59Å; I40-F163 HydrophobicContact CD1-CE2 3.92Å; I40-F163 HydrophobicContact CD1-CZ 3.95Å; I40-F163 HydrophobicContact CG1-CZ 4.32Å; I48-F163 HydrophobicContact CD1-CB 4.33Å; I48-F163 HydrophobicContact CD1-CD1 3.98Å; I48-F163 HydrophobicContact CD1-CD2 3.42Å; I48-F163 VanDerWaalsContact CD1-CD2 3.42Å; I48-F163 HydrophobicContact CD1-CE1 4.11Å; I48-F163 HydrophobicContact CD1-CE2 3.58Å; I48-F163 HydrophobicContact CD1-CG 3.63Å; I48-F163 HydrophobicContact CD1-CZ 3.92Å; I48-F163 HydrophobicContact CG2-CB 4.24Å; I48-F163 HydrophobicContact CG2-CG 4.41Å; M153-F163 WeakPolarHBondContact CA-O 3.37Å; T154-F163 PolarHBondContact N-O 3.27Å; T154-F163 WeakPolarHBondContact O-CA 3.4Å; T154-F163 WeakPolarHBondContact O-CB 3.32Å; T154-F163 WeakPolarHBondContact O-CD2 3.44Å; T154-F163 PolarHBondContact O-N 2.99Å; L156-F163 HydrophobicContact CB-CE2 3.93Å; L156-F163 HydrophobicContact CD2-CE2 4.47Å; V161-F163 HydrophobicContact CB-CE2 4.31Å; V161-F163 HydrophobicContact CB-CZ 4.35Å; V161-F163 HydrophobicContact CG1-CD1 4.49Å; V161-F163 HydrophobicContact CG1-CD2 4.49Å; V161-F163 HydrophobicContact CG1-CE1 4.06Å; V161-F163 HydrophobicContact CG1-CE2 4.06Å; V161-F163 HydrophobicContact CG1-CZ 3.84Å; F163-A224 VanDerWaalsContact CA-O 3.3Å; F163-A224 WeakPolarHBondContact CA-O 3.21Å; F163-A224 HydrophobicContact CD1-CB 3.77Å; F163-A224 HydrophobicContact CE1-CB 3.99Å
164	S	98.9	Very high	98.8	Very high	3 Å²	3	9.8 Å²	9.8	2%	0.021	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	1	-168.5	60	0	0	0	0	114.6	L162 D166 A167 I223 A224	L162-S164 PolarHBondContact O-N 2.75Å; S164-D166 PolarHBondContact O-N 2.98Å; S164-A167 WeakPolarHBondContact CB-O 3.12Å; S164-A167 PolarHBondContact O-N 3.48Å; S164-A167 PolarHBondContact OG-O 3.37Å; S164-I223 VanDerWaalsContact OG-CG2 3.26Å; S164-I223 WeakPolarHBondContact OG-CG2 3.33Å; S164-A224 PolarHBondContact N-O 3.43Å
165	N	98.8	Very high	98.8	Very high	6 Å²	6	14.6 Å²	14.6	3%	0.032	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.2	-128	-174.2	-169.5	-95.3	0	0	0	110	D49 N78 H79 H84 A167 T225 S226	D49-N165 PolarHBondContact OD2-ND2 3.04Å; N78-N165 HydrophobicContact CB-CB 3.79Å; H79-N165 WeakPolarHBondContact CB-OD1 3.2Å; H84-N165 PolarHBondContact CD2-ND2 3.03Å; H84-N165 PolarHBondContact CD2-OD1 3.37Å; N165-A167 VanDerWaalsContact C-N 3.3Å; N165-A167 PolarHBondContact O-N 2.83Å; N165-T225 CarbonylContact O-C 3.5Å; N165-T225 WeakPolarHBondContact O-CA 3.27Å; N165-T225 WeakPolarHBondContact O-CB 3.05Å; N165-S226 PolarHBondContact O-N 2.91Å; N165-S226 PolarHBondContact O-OG 2.86Å
166	D	98.7	Very high	98.8	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.021	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-37.5	-179.3	-85.4	-48.1	0	0	0	114.7	H79 H84 H147 S164 F168 G169 Y194 S226 H227	H79-D166 IonicContact CD2-OD2 2.76Å; H79-D166 PolarHBondContact CD2-OD2 3.47Å; H79-D166 IonicContact NE2-OD2 3.15Å; H84-D166 IonicContact NE2-OD1 3.93Å; H84-D166 PolarHBondContact NE2-OD1 3.13Å; H84-D166 IonicContact NE2-OD2 3.98Å; H147-D166 IonicContact CD2-OD2 2.67Å; H147-D166 PolarHBondContact CD2-OD2 3.34Å; H147-D166 IonicContact NE2-OD2 3.86Å; H147-D166 PolarHBondContact NE2-OD2 3.49Å; S164-D166 PolarHBondContact O-N 2.98Å; D166-F168 PolarHBondContact O-N 2.93Å; D166-G169 PolarHBondContact O-N 2.8Å; D166-Y194 VanDerWaalsContact CB-OH 3.22Å; D166-Y194 WeakPolarHBondContact CB-OH 3.44Å; D166-Y194 PolarHBondContact OD1-OH 2.89Å; D166-S226 PolarHBondContact N-OG 3.29Å; D166-S226 VanDerWaalsContact N-OG 3.14Å; D166-H227 IonicContact OD1-CD2 3.48Å; D166-H227 PolarHBondContact OD1-CD2 2.67Å; D166-H227 IonicContact OD1-NE2 3.98Å
167	A	98.5	Very high	98.8	Very high	12 Å²	12	19.2 Å²	19.2	10%	0.099	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	133	-176.2	0	0	0	0	0	109.7	M153 S164 N165 G169	M153-A167 HydrophobicContact CE-CB 3.3Å; S164-A167 WeakPolarHBondContact CB-O 3.12Å; S164-A167 PolarHBondContact O-N 3.48Å; S164-A167 PolarHBondContact OG-O 3.37Å; N165-A167 VanDerWaalsContact C-N 3.3Å; N165-A167 PolarHBondContact O-N 2.83Å; A167-G169 PolarHBondContact O-N 3.02Å
168	F	98.8	Very high	98.8	Very high	8 Å²	8	18.8 Å²	18.8	4%	0.035	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	2.2	-175.9	-40.5	-60.8	0	0	0	115.1	M153 L162 D166 Q170 I210 I223 T225 W231 I238 V239 Y242	M153-F168 HydrophobicContact CE-CE2 4.17Å; L162-F168 HydrophobicContact CD2-CE2 4.46Å; D166-F168 PolarHBondContact O-N 2.93Å; F168-Q170 PolarHBondContact O-OE1 2.76Å; F168-I210 HydrophobicContact CE1-CD1 4.32Å; F168-I210 HydrophobicContact CZ-CD1 4.43Å; F168-I210 HydrophobicContact CZ-CG1 4.4Å; F168-I223 HydrophobicContact CB-CG2 4.3Å; F168-I223 HydrophobicContact CD2-CD1 4.4Å; F168-I223 HydrophobicContact CD2-CG2 3.84Å; F168-I223 HydrophobicContact CG-CG2 4.46Å; F168-T225 HydrophobicContact CB-CG2 4.1Å; F168-W231 PolarHBondContact O-NE1 3.26Å; F168-I238 HydrophobicContact CB-CB 4.47Å; F168-I238 HydrophobicContact CB-CG1 3.79Å; F168-I238 HydrophobicContact CB-CG2 3.79Å; F168-I238 HydrophobicContact CD1-CG1 4.15Å; F168-I238 HydrophobicContact CD1-CG2 4.19Å; F168-I238 HydrophobicContact CG-CG1 4.41Å; F168-I238 HydrophobicContact CG-CG2 4.11Å; F168-V239 HydrophobicContact CE1-CB 4.49Å; F168-V239 HydrophobicContact CE1-CG2 4.13Å; F168-V239 HydrophobicContact CZ-CG2 4.14Å; F168-Y242 WeakPolarHBondContact CA-OH 2.95Å; F168-Y242 AromaticContact CD1-CD1 3.7Å; F168-Y242 HydrophobicContact CD1-CD1 3.7Å; F168-Y242 AromaticContact CD1-CD2 3.85Å; F168-Y242 HydrophobicContact CD1-CD2 3.85Å; F168-Y242 AromaticContact CD1-CE1 3.85Å; F168-Y242 HydrophobicContact CD1-CE1 3.85Å; F168-Y242 HydrophobicContact CD1-CE2 4.01Å; F168-Y242 AromaticContact CD1-CG 3.71Å; F168-Y242 HydrophobicContact CD1-CG 3.71Å; F168-Y242 AromaticContact CE1-CD1 3.61Å; F168-Y242 HydrophobicContact CE1-CD1 3.61Å; F168-Y242 HydrophobicContact CE1-CD2 4.33Å; F168-Y242 HydrophobicContact CE1-CE1 4.14Å; F168-Y242 AromaticContact CE1-CG 3.72Å; F168-Y242 HydrophobicContact CE1-CG 3.72Å; F168-Y242 VanDerWaalsContact N-CZ 3.3Å; F168-Y242 PolarHBondContact N-OH 3.05Å
169	G	98.7	Very high	98.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.078	C	C	.	.			trans	-80.9	175.4	174.9	0	0	0	0	0	113.9	D166 A167 H227	D166-G169 PolarHBondContact O-N 2.8Å; A167-G169 PolarHBondContact O-N 3.02Å; G169-H227 WeakPolarHBondContact CA-O 3.41Å
170	Q	98.9	Very high	98.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.			trans	-161.3	147.6	176.5	65.8	-71.6	-20.9	0	0	111.3	F168 Y172 L187 Q190 C191 H227 G228	F168-Q170 PolarHBondContact O-OE1 2.76Å; Q170-Y172 PolarHBondContact O-N 3.14Å; Q170-L187 HydrophobicContact CG-CD1 3.94Å; Q170-L187 VanDerWaalsContact NE2-CD1 3.26Å; Q170-Q190 HydrophobicContact CB-CB 3.94Å; Q170-Q190 HydrophobicContact CG-CB 4.13Å; Q170-C191 HydrophobicContact CB-CB 4.46Å; Q170-C191 PolarHBondContact OE1-SG 3.42Å; Q170-C191 VanDerWaalsContact OE1-SG 3.36Å; Q170-H227 PolarHBondContact N-O 3.22Å; Q170-H227 CarbonylContact O-C 3.56Å; Q170-G228 WeakPolarHBondContact O-CA 3.48Å; Q170-G228 PolarHBondContact O-N 3.22Å
171	H	98.9	Very high	98.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.			trans	-78.9	89.8	172.2	-61.1	-57.7	0	0	0	110.8	Y27 T29 G32 S33 Q190 Y194 H227	Y27-H171 AromaticContact CD1-CD2 3.92Å; Y27-H171 HydrophobicContact CE1-CB 4.41Å; Y27-H171 AromaticContact CE1-CD2 3.38Å; Y27-H171 WeakPolarHBondContact CE1-CD2 3.26Å; Y27-H171 AromaticContact CZ-CD2 3.73Å; T29-H171 HydrophobicContact CG2-CB 3.57Å; G32-H171 CarbonylContact O-C 3.11Å; S33-H171 PolarHBondContact OG-ND1 3.04Å; H171-Q190 WeakPolarHBondContact O-CG 3.44Å; H171-Y194 AromaticContact CD2-CD2 3.74Å; H171-Y194 AromaticContact NE2-CD2 3.76Å; H171-Y194 AromaticContact NE2-CE2 3.71Å; H171-H227 AromaticContact CE1-CD2 3.81Å; H171-H227 AromaticContact CE1-CE1 3.68Å; H171-H227 AromaticContact CE1-NE2 3.48Å; H171-H227 PolarHBondContact CE1-NE2 3.05Å; H171-H227 AromaticContact ND1-ND1 3.97Å
172	Y	98.9	Very high	98.8	Very high	10 Å²	10	22.8 Å²	22.8	4%	0.039	11%	0.114	C	C	.	.			trans	-145.2	111.9	178.2	-178	-148.8	0	0	0	109.4	R31 Q170 V182 E186 L187 Q190	R31-Y172 HydrophobicContact CB-CD2 4.04Å; Q170-Y172 PolarHBondContact O-N 3.14Å; Y172-V182 HydrophobicContact CE1-CB 3.82Å; Y172-V182 HydrophobicContact CE1-CG1 4.32Å; Y172-V182 HydrophobicContact CE1-CG2 3.91Å; Y172-E186 HydrophobicContact CE1-CB 4.38Å; Y172-E186 HydrophobicContact CE2-CB 4.08Å; Y172-E186 WeakPolarHBondContact CE2-OE2 3.21Å; Y172-E186 PolarHBondContact OH-OE2 3.05Å; Y172-L187 HydrophobicContact CD1-CB 4.43Å; Y172-L187 HydrophobicContact CD1-CD1 4.27Å; Y172-L187 HydrophobicContact CE1-CB 4.3Å; Y172-Q190 HydrophobicContact CD2-CG 4.5Å; Y172-Q190 HydrophobicContact CG-CG 4.34Å
173	C	98.9	Very high	98.8	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.02	13%	0.131	C	C	.	.			trans	-89.5	124.4	177.1	-163	0	0	0	0	110.4	W17 R31 S33	W17-C173 HydrophobicContact CD2-CB 4.24Å; W17-C173 VanDerWaalsContact CD2-SG 3.58Å; W17-C173 VanDerWaalsContact CE2-SG 3.55Å; W17-C173 HydrophobicContact CE3-CB 4.2Å; W17-C173 WeakPolarHBondContact CH2-O 3.35Å; W17-C173 HydrophobicContact CZ3-CB 4.47Å; R31-C173 WeakPolarHBondContact O-CB 3.38Å; R31-C173 PolarHBondContact O-N 3.41Å; S33-C173 WeakPolarHBondContact O-CB 3.1Å; S33-C173 PolarHBondContact O-SG 3.02Å
174	D	98.8	Very high	98.8	Very high	39 Å²	39	30.3 Å²	30.3	21%	0.209	15%	0.151	C	C	.	.			trans	-142.4	157.2	169.5	-161.9	-78.3	0	0	0	109.2	R15 H176 V182	R15-D174 VanDerWaalsContact CD-O 3.3Å; R15-D174 WeakPolarHBondContact CD-O 3.24Å; R15-D174 PolarHBondContact NE-O 2.79Å; D174-H176 VanDerWaalsContact C-N 3.32Å; D174-H176 WeakPolarHBondContact OD1-CB 3.38Å; D174-H176 IonicContact OD1-CE1 2.75Å; D174-H176 IonicContact OD1-CG 2.73Å; D174-H176 PolarHBondContact OD1-N 3.24Å; D174-H176 IonicContact OD1-ND1 2.95Å; D174-H176 PolarHBondContact OD1-ND1 3.13Å; D174-V182 HydrophobicContact CB-CG1 3.9Å
175	E	98.6	Very high	98.8	Very high	101 Å²	101	34.4 Å²	34.4	47%	0.472	18%	0.176	S	C	.	.	S	Bend	trans	-73.9	-25.9	173.6	-72	-53.4	138.4	0	0	112.5	R15 W17	R15-E175 WeakPolarHBondContact CD-OE1 3.42Å; R15-E175 VanDerWaalsContact CZ-O 3.3Å; R15-E175 IonicContact CZ-OE2 2.7Å; R15-E175 VanDerWaalsContact CZ-OE2 3.31Å; R15-E175 IonicContact NE-OE2 3.48Å; R15-E175 PolarHBondContact NE-OE2 2.85Å; R15-E175 IonicContact NH1-OE2 3.6Å; R15-E175 PolarHBondContact NH1-OE2 2.9Å; R15-E175 PolarHBondContact NH2-O 3Å; W17-E175 HydrophobicContact CZ2-CG 4.06Å; W17-E175 PolarHBondContact NE1-OE1 3.08Å
176	H	98.7	Very high	98.8	Very high	101 Å²	101	36.7 Å²	36.7	47%	0.468	19%	0.186	S	C	.	.			trans	-78.1	144.3	171.9	-56.2	93.5	0	0	0	110.6	D174 E181 V182	D174-H176 VanDerWaalsContact C-N 3.32Å; D174-H176 WeakPolarHBondContact OD1-CB 3.38Å; D174-H176 IonicContact OD1-CE1 2.75Å; D174-H176 IonicContact OD1-CG 2.73Å; D174-H176 PolarHBondContact OD1-N 3.24Å; D174-H176 IonicContact OD1-ND1 2.95Å; D174-H176 PolarHBondContact OD1-ND1 3.13Å; H176-E181 HydrophobicContact CB-CB 3.6Å; H176-E181 WeakPolarHBondContact CB-OE2 3.45Å; H176-E181 IonicContact CD2-OE2 2.69Å; H176-V182 HydrophobicContact CB-CG1 4.22Å
177	L	98.8	Very high	98.8	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.037	19%	0.186	C	C	.	.			trans	-93.2	-25.6	-177	-176.9	59.6	0	0	0	112.2	I3 V5 W11 V229 V230	I3-L177 HydrophobicContact CB-CD2 4.12Å; I3-L177 HydrophobicContact CD1-CB 4.37Å; I3-L177 HydrophobicContact CG2-CB 4.36Å; I3-L177 HydrophobicContact CG2-CD2 3.75Å; V5-L177 HydrophobicContact CG2-CD2 3.97Å; W11-L177 HydrophobicContact CB-CD2 3.72Å; W11-L177 HydrophobicContact CD2-CD1 4.41Å; W11-L177 HydrophobicContact CG-CD1 4.06Å; W11-L177 HydrophobicContact CG-CD2 3.96Å; L177-V229 CarbonylContact O-C 3.54Å; L177-V229 WeakPolarHBondContact O-CA 3.45Å; L177-V229 WeakPolarHBondContact O-CB 3.28Å; L177-V230 HydrophobicContact CD1-CG2 3.94Å; L177-V230 HydrophobicContact CD2-CG2 4.13Å; L177-V230 HydrophobicContact CG-CB 4.34Å; L177-V230 HydrophobicContact CG-CG2 3.83Å; L177-V230 PolarHBondContact O-N 2.67Å
178	F	98.9	Very high	98.8	Very high	15 Å²	15	39.8 Å²	39.8	7%	0.066	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-105.1	147.9	-164.5	-59.8	-74.3	0	0	0	113.4	V5 D180 E181 V230 R232	V5-F178 HydrophobicContact CG1-CE1 4.36Å; F178-D180 VanDerWaalsContact C-N 3.25Å; F178-D180 PolarHBondContact O-N 3.25Å; F178-E181 HydrophobicContact CB-CG 4.21Å; F178-E181 WeakPolarHBondContact CD2-OE2 3.41Å; F178-E181 PolarHBondContact O-N 3.21Å; F178-V230 WeakPolarHBondContact CA-O 3.5Å; F178-V230 HydrophobicContact CD1-CB 3.91Å; F178-V230 HydrophobicContact CD1-CG1 4.13Å; F178-V230 HydrophobicContact CE1-CB 4.18Å; F178-V230 HydrophobicContact CE1-CG1 4.17Å; F178-R232 HydrophobicContact CB-CG 3.97Å; F178-R232 HydrophobicContact CD1-CB 4.09Å; F178-R232 VanDerWaalsContact CD1-CD 3.4Å; F178-R232 HydrophobicContact CD1-CG 3.73Å; F178-R232 VanDerWaalsContact CD2-CZ 3.48Å; F178-R232 HydrophobicContact CG-CG 4.08Å; F178-R232 VanDerWaalsContact CG-CZ 3.48Å
179	N	98.9	Very high	98.8	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-61.1	-29.6	-174.2	73.9	-71.2	0	0	0	114.1	E181 V182 Q184 L187 V229 V230 W231 R232 D233 Q237	N179-E181 VanDerWaalsContact C-N 3.3Å; N179-V182 WeakPolarHBondContact O-CG2 3.31Å; N179-Q184 PolarHBondContact O-NE2 3.04Å; N179-L187 HydrophobicContact CB-CD2 4.13Å; N179-V229 HydrophobicContact CB-CB 4.32Å; N179-V229 HydrophobicContact CB-CG2 3.57Å; N179-V230 PolarHBondContact N-O 3.23Å; N179-W231 HydrophobicContact CB-CD2 4.18Å; N179-W231 HydrophobicContact CB-CE3 3.61Å; N179-W231 HydrophobicContact CB-CZ3 3.99Å; N179-W231 WeakPolarHBondContact OD1-CA 3.31Å; N179-R232 PolarHBondContact OD1-N 2.99Å; N179-D233 PolarHBondContact ND2-O 2.93Å; N179-D233 PolarHBondContact OD1-N 2.78Å; N179-Q237 PolarHBondContact ND2-NE2 3.2Å
180	D	98.8	Very high	98.8	Very high	68 Å²	68	44.5 Å²	44.5	36%	0.364	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-80.1	-7.3	178.7	56.4	-65.9	0	0	0	114.2	F178 R232 D233	F178-D180 VanDerWaalsContact C-N 3.25Å; F178-D180 PolarHBondContact O-N 3.25Å; D180-R232 VanDerWaalsContact OD1-CG 3.29Å; D180-R232 WeakPolarHBondContact OD1-CG 3.33Å; D180-R232 IonicContact OD1-CZ 3.47Å; D180-R232 IonicContact OD1-NE 3.47Å; D180-R232 PolarHBondContact OD1-NE 2.92Å; D180-R232 IonicContact OD1-NH2 3.41Å; D180-R232 PolarHBondContact OD1-NH2 3.11Å; D180-R232 IonicContact OD2-CZ 2.87Å; D180-R232 IonicContact OD2-NE 2.67Å; D180-R232 PolarHBondContact OD2-NE 3.36Å; D180-R232 IonicContact OD2-NH2 2.74Å; D180-R232 PolarHBondContact OD2-NH2 3.43Å; D180-D233 HydrophobicContact CB-CB 3.82Å
181	E	98.8	Very high	98.8	Very high	75 Å²	75	44.6 Å²	44.6	35%	0.35	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-100.5	-8.1	-176.2	-62.7	176.4	162.6	0	0	113.2	H176 F178 N179 R232	H176-E181 HydrophobicContact CB-CB 3.6Å; H176-E181 WeakPolarHBondContact CB-OE2 3.45Å; H176-E181 IonicContact CD2-OE2 2.69Å; F178-E181 HydrophobicContact CB-CG 4.21Å; F178-E181 WeakPolarHBondContact CD2-OE2 3.41Å; F178-E181 PolarHBondContact O-N 3.21Å; N179-E181 VanDerWaalsContact C-N 3.3Å; E181-R232 VanDerWaalsContact CD-NH2 3.34Å; E181-R232 IonicContact OE1-CZ 3.35Å; E181-R232 IonicContact OE1-NH1 2.86Å; E181-R232 IonicContact OE1-NH2 2.74Å; E181-R232 PolarHBondContact OE1-NH2 2.99Å
182	V	98.8	Very high	98.8	Very high	14 Å²	14	44.8 Å²	44.8	9%	0.085	22%	0.221	C	C	.	.	S	Bend	trans	-109.6	171.2	-174.4	-58.3	0	0	0	0	112.7	Y172 D174 H176 N179 Q184 L187 V229	Y172-V182 HydrophobicContact CE1-CB 3.82Å; Y172-V182 HydrophobicContact CE1-CG1 4.32Å; Y172-V182 HydrophobicContact CE1-CG2 3.91Å; D174-V182 HydrophobicContact CB-CG1 3.9Å; H176-V182 HydrophobicContact CB-CG1 4.22Å; N179-V182 WeakPolarHBondContact O-CG2 3.31Å; V182-Q184 PolarHBondContact O-N 3.13Å; V182-Q184 PolarHBondContact O-NE2 2.72Å; V182-L187 HydrophobicContact CG2-CB 4.2Å; V182-L187 HydrophobicContact CG2-CD2 3.98Å; V182-V229 HydrophobicContact CG1-CG1 4.12Å; V182-V229 HydrophobicContact CG2-CG1 3.98Å
183	D	98.8	Very high	98.8	Very high	79 Å²	79	45.1 Å²	45.1	42%	0.422	22%	0.222	S	C	.	.			trans	-67.5	119.4	173.2	-173	-74.6	0	0	0	110.8	T185 E186 L187	D183-T185 VanDerWaalsContact C-N 3.29Å; D183-T185 PolarHBondContact O-N 3.23Å; D183-T185 WeakPolarHBondContact OD1-CA 3.33Å; D183-T185 VanDerWaalsContact OD1-CB 3.22Å; D183-T185 WeakPolarHBondContact OD1-CB 3.35Å; D183-T185 PolarHBondContact OD1-N 3.34Å; D183-E186 HydrophobicContact CB-CB 4.11Å; D183-E186 HydrophobicContact CB-CG 3.89Å; D183-E186 PolarHBondContact O-N 3.39Å; D183-E186 WeakPolarHBondContact OD1-CG 3.41Å; D183-E186 PolarHBondContact OD1-N 2.99Å; D183-L187 VanDerWaalsContact O-CB 3.29Å; D183-L187 WeakPolarHBondContact O-CB 3.42Å; D183-L187 PolarHBondContact O-N 2.95Å
184	Q	98.8	Very high	98.8	Very high	90 Å²	90	45 Å²	45	42%	0.421	22%	0.222	S	C	.	.	H	α-helix	trans	-69	-27.3	-174.9	-58.8	-56.1	-63.7	0	0	113.1	N179 V182 F188	N179-Q184 PolarHBondContact O-NE2 3.04Å; V182-Q184 PolarHBondContact O-N 3.13Å; V182-Q184 PolarHBondContact O-NE2 2.72Å; Q184-F188 WeakPolarHBondContact O-CB 3.33Å; Q184-F188 PolarHBondContact O-N 3.37Å; Q184-F188 VanDerWaalsContact O-N 3.13Å
185	T	98.8	Very high	98.8	Very high	90 Å²	90	43.1 Å²	43.1	55%	0.552	21%	0.212	S	C	*	.	H	α-helix	trans	-73.7	-49	177.8	-51.3	0	0	0	0	109.6	D183 L187 F188 E189	D183-T185 VanDerWaalsContact C-N 3.29Å; D183-T185 PolarHBondContact O-N 3.23Å; D183-T185 WeakPolarHBondContact OD1-CA 3.33Å; D183-T185 VanDerWaalsContact OD1-CB 3.22Å; D183-T185 WeakPolarHBondContact OD1-CB 3.35Å; D183-T185 PolarHBondContact OD1-N 3.34Å; T185-L187 VanDerWaalsContact C-N 3.33Å; T185-L187 PolarHBondContact O-N 3.48Å; T185-F188 PolarHBondContact O-N 3.49Å; T185-E189 WeakPolarHBondContact O-CB 3.31Å; T185-E189 VanDerWaalsContact O-CG 3.3Å; T185-E189 WeakPolarHBondContact O-CG 3.22Å; T185-E189 PolarHBondContact O-N 3.02Å
186	E	98.8	Very high	98.8	Very high	53 Å²	53	38.3 Å²	38.3	25%	0.248	19%	0.189	C	C	.	.	H	α-helix	trans	-61.8	-42.6	178.3	-58.2	-169	157.1	0	0	111.4	R31 Y172 D183 E189 Q190	R31-E186 IonicContact CZ-OE1 3.38Å; R31-E186 IonicContact CZ-OE2 2.78Å; R31-E186 IonicContact NH1-OE1 3.68Å; R31-E186 PolarHBondContact NH1-OE1 3.3Å; R31-E186 IonicContact NH1-OE2 2.8Å; R31-E186 PolarHBondContact NH1-OE2 3.03Å; R31-E186 VanDerWaalsContact NH2-CD 3.29Å; R31-E186 IonicContact NH2-OE1 2.65Å; R31-E186 PolarHBondContact NH2-OE1 3.27Å; Y172-E186 HydrophobicContact CE1-CB 4.38Å; Y172-E186 HydrophobicContact CE2-CB 4.08Å; Y172-E186 WeakPolarHBondContact CE2-OE2 3.21Å; Y172-E186 PolarHBondContact OH-OE2 3.05Å; D183-E186 HydrophobicContact CB-CB 4.11Å; D183-E186 HydrophobicContact CB-CG 3.89Å; D183-E186 PolarHBondContact O-N 3.39Å; D183-E186 WeakPolarHBondContact OD1-CG 3.41Å; D183-E186 PolarHBondContact OD1-N 2.99Å; E186-E189 PolarHBondContact O-N 3.5Å; E186-Q190 WeakPolarHBondContact O-CG 3.39Å; E186-Q190 PolarHBondContact O-N 3.42Å
187	L	98.9	Very high	98.8	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-56.3	-54	174.6	177	59.9	0	0	0	111.2	Q170 Y172 N179 V182 D183 T185 E189 Q190 C191 V229 W231	Q170-L187 HydrophobicContact CG-CD1 3.94Å; Q170-L187 VanDerWaalsContact NE2-CD1 3.26Å; Y172-L187 HydrophobicContact CD1-CB 4.43Å; Y172-L187 HydrophobicContact CD1-CD1 4.27Å; Y172-L187 HydrophobicContact CE1-CB 4.3Å; N179-L187 HydrophobicContact CB-CD2 4.13Å; V182-L187 HydrophobicContact CG2-CB 4.2Å; V182-L187 HydrophobicContact CG2-CD2 3.98Å; D183-L187 VanDerWaalsContact O-CB 3.29Å; D183-L187 WeakPolarHBondContact O-CB 3.42Å; D183-L187 PolarHBondContact O-N 2.95Å; T185-L187 VanDerWaalsContact C-N 3.33Å; T185-L187 PolarHBondContact O-N 3.48Å; L187-E189 VanDerWaalsContact C-N 3.33Å; L187-E189 PolarHBondContact O-N 2.81Å; L187-Q190 PolarHBondContact O-N 3.07Å; L187-C191 PolarHBondContact O-N 2.93Å; L187-C191 PolarHBondContact O-SG 3.32Å; L187-V229 HydrophobicContact CD1-CG1 4.21Å; L187-V229 HydrophobicContact CD1-CG2 3.99Å; L187-V229 HydrophobicContact CD2-CG2 4.46Å; L187-W231 HydrophobicContact CD1-CH2 4.06Å; L187-W231 HydrophobicContact CD1-CZ2 4.23Å; L187-W231 HydrophobicContact CD2-CH2 3.74Å; L187-W231 HydrophobicContact CD2-CZ3 3.88Å; L187-W231 HydrophobicContact CG-CH2 3.94Å
188	F	98.8	Very high	98.8	Very high	79 Å²	79	34.6 Å²	34.6	35%	0.346	17%	0.172	S	C	.	.	H	α-helix	trans	-60.8	-41.5	180	-179.2	-91.4	0	0	0	112.5	Q184 T185 Q190 C191 Q192 L241 W245	Q184-F188 WeakPolarHBondContact O-CB 3.33Å; Q184-F188 PolarHBondContact O-N 3.37Å; Q184-F188 VanDerWaalsContact O-N 3.13Å; T185-F188 PolarHBondContact O-N 3.49Å; F188-Q190 VanDerWaalsContact C-N 3.35Å; F188-Q190 PolarHBondContact O-N 3.01Å; F188-C191 PolarHBondContact O-N 3.13Å; F188-Q192 HydrophobicContact CE1-CB 4.46Å; F188-Q192 WeakPolarHBondContact O-CB 3.22Å; F188-Q192 PolarHBondContact O-N 3.44Å; F188-L241 HydrophobicContact CD2-CD1 3.95Å; F188-L241 HydrophobicContact CE2-CD1 3.85Å; F188-L241 HydrophobicContact CE2-CD2 3.83Å; F188-W245 AromaticContact CE2-CZ2 3.85Å; F188-W245 HydrophobicContact CE2-CZ2 3.85Å; F188-W245 HydrophobicContact CZ-CZ2 4.07Å
189	E	98.8	Very high	98.8	Very high	95 Å²	95	34.2 Å²	34.2	44%	0.444	17%	0.171	S	C	.	.	H	α-helix	trans	-58.6	-45.2	176.5	-76.1	176.3	167.7	0	0	111.8	T185 E186 L187 R193	T185-E189 WeakPolarHBondContact O-CB 3.31Å; T185-E189 VanDerWaalsContact O-CG 3.3Å; T185-E189 WeakPolarHBondContact O-CG 3.22Å; T185-E189 PolarHBondContact O-N 3.02Å; E186-E189 PolarHBondContact O-N 3.5Å; L187-E189 VanDerWaalsContact C-N 3.33Å; L187-E189 PolarHBondContact O-N 2.81Å; E189-R193 VanDerWaalsContact O-CB 3.22Å; E189-R193 WeakPolarHBondContact O-CB 3.38Å; E189-R193 PolarHBondContact O-N 3.3Å
190	Q	98.9	Very high	98.8	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.056	17%	0.174	C	C	.	.	H	α-helix	trans	-71.2	-39.2	179.3	-61.3	-40.1	-63.3	0	0	112.2	Q170 H171 Y172 E186 L187 F188 R193 Y194	Q170-Q190 HydrophobicContact CB-CB 3.94Å; Q170-Q190 HydrophobicContact CG-CB 4.13Å; H171-Q190 WeakPolarHBondContact O-CG 3.44Å; Y172-Q190 HydrophobicContact CD2-CG 4.5Å; Y172-Q190 HydrophobicContact CG-CG 4.34Å; E186-Q190 WeakPolarHBondContact O-CG 3.39Å; E186-Q190 PolarHBondContact O-N 3.42Å; L187-Q190 PolarHBondContact O-N 3.07Å; F188-Q190 VanDerWaalsContact C-N 3.35Å; F188-Q190 PolarHBondContact O-N 3.01Å; Q190-R193 PolarHBondContact O-N 2.84Å; Q190-Y194 VanDerWaalsContact O-CB 3.31Å; Q190-Y194 WeakPolarHBondContact O-CB 3.34Å; Q190-Y194 PolarHBondContact O-N 3.39Å
191	C	98.9	Very high	98.8	Very high	1 Å²	1	33 Å²	33	1%	0.007	17%	0.167	C	C	.	.	H	α-helix	trans	-60.4	-46.9	175.1	-64.8	0	0	0	0	111.8	Q170 L187 F188 Y194 Y195 I238 W245	Q170-C191 HydrophobicContact CB-CB 4.46Å; Q170-C191 PolarHBondContact OE1-SG 3.42Å; Q170-C191 VanDerWaalsContact OE1-SG 3.36Å; L187-C191 PolarHBondContact O-N 2.93Å; L187-C191 PolarHBondContact O-SG 3.32Å; F188-C191 PolarHBondContact O-N 3.13Å; C191-Y194 PolarHBondContact O-N 2.88Å; C191-Y195 PolarHBondContact O-N 3.02Å; C191-I238 HydrophobicContact CB-CD1 4.11Å; C191-W245 HydrophobicContact CB-CH2 3.81Å; C191-W245 HydrophobicContact CB-CZ3 4.25Å
192	Q	98.9	Very high	98.8	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.019	16%	0.159	C	C	.	.	H	α-helix	trans	-69	-37.1	-179.8	-171	173.1	62	0	0	111.7	F188 A196 W245 T300	F188-Q192 HydrophobicContact CE1-CB 4.46Å; F188-Q192 WeakPolarHBondContact O-CB 3.22Å; F188-Q192 PolarHBondContact O-N 3.44Å; Q192-A196 WeakPolarHBondContact O-CB 3.22Å; Q192-A196 PolarHBondContact O-N 2.97Å; Q192-W245 HydrophobicContact CB-CH2 4.07Å; Q192-W245 HydrophobicContact CB-CZ2 3.78Å; Q192-W245 HydrophobicContact CG-CZ2 4.08Å; Q192-T300 HydrophobicContact CG-CG2 4.34Å
193	R	98.9	Very high	98.7	Very high	17 Å²	17	31.2 Å²	31.2	6%	0.064	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-45.8	174.2	-176.4	-174.9	177.4	83.9	-12.3	111.4	Y27 K28 E189 Q190 A196 N197 D294 N296 E297	Y27-R193 HydrophobicContact CE2-CG 4.28Å; Y27-R193 WeakPolarHBondContact OH-CG 3.3Å; K28-R193 PolarHBondContact O-NE 3.48Å; K28-R193 PolarHBondContact O-NH2 2.91Å; E189-R193 VanDerWaalsContact O-CB 3.22Å; E189-R193 WeakPolarHBondContact O-CB 3.38Å; E189-R193 PolarHBondContact O-N 3.3Å; Q190-R193 PolarHBondContact O-N 2.84Å; R193-A196 PolarHBondContact O-N 3.45Å; R193-N197 PolarHBondContact O-N 3.37Å; R193-N197 PolarHBondContact O-ND2 2.83Å; R193-D294 IonicContact CZ-OD1 2.88Å; R193-D294 VanDerWaalsContact CZ-OD1 3.28Å; R193-D294 IonicContact NH1-OD1 2.69Å; R193-D294 PolarHBondContact NH1-OD1 3.16Å; R193-D294 IonicContact NH2-OD1 3.04Å; R193-D294 PolarHBondContact NH2-OD1 2.91Å; R193-D294 IonicContact NH2-OD2 3.61Å; R193-D294 PolarHBondContact NH2-OD2 2.8Å; R193-N296 VanDerWaalsContact NH1-CB 3.34Å; R193-N296 VanDerWaalsContact NH2-CB 3.28Å; R193-E297 VanDerWaalsContact NH1-N 3.18Å
194	Y	98.9	Very high	98.7	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-59.3	-54.2	177.6	-177.6	-90.2	0	0	0	110.6	Y27 D166 H171 Q190 C191 A196 N197 I198 L199	Y27-Y194 PolarHBondContact OH-N 2.98Å; D166-Y194 VanDerWaalsContact CB-OH 3.22Å; D166-Y194 WeakPolarHBondContact CB-OH 3.44Å; D166-Y194 PolarHBondContact OD1-OH 2.89Å; H171-Y194 AromaticContact CD2-CD2 3.74Å; H171-Y194 AromaticContact NE2-CD2 3.76Å; H171-Y194 AromaticContact NE2-CE2 3.71Å; Q190-Y194 VanDerWaalsContact O-CB 3.31Å; Q190-Y194 WeakPolarHBondContact O-CB 3.34Å; Q190-Y194 PolarHBondContact O-N 3.39Å; C191-Y194 PolarHBondContact O-N 2.88Å; Y194-A196 PolarHBondContact O-N 3.25Å; Y194-N197 PolarHBondContact O-N 3.01Å; Y194-I198 HydrophobicContact CD2-CD1 3.64Å; Y194-I198 HydrophobicContact CE2-CD1 3.46Å; Y194-I198 VanDerWaalsContact CE2-CD1 3.46Å; Y194-I198 HydrophobicContact CG-CD1 4.34Å; Y194-I198 WeakPolarHBondContact O-CB 3.46Å; Y194-I198 PolarHBondContact O-N 2.95Å; Y194-L199 HydrophobicContact CD1-CD1 4.18Å; Y194-L199 HydrophobicContact CD1-CG 4.49Å; Y194-L199 HydrophobicContact CE1-CD1 3.9Å; Y194-L199 HydrophobicContact CE1-CG 4.14Å
195	Y	98.9	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	I	π-helix	trans	-57.4	-47.9	179.5	-169	-75.2	0	0	0	112.1	C191 N197 L199 T200 S203 V206 Y242 W245 A246 F303	C191-Y195 PolarHBondContact O-N 3.02Å; Y195-N197 VanDerWaalsContact C-N 3.33Å; Y195-N197 PolarHBondContact O-N 3.34Å; Y195-L199 HydrophobicContact CD1-CB 4.37Å; Y195-L199 HydrophobicContact CD2-CB 3.94Å; Y195-L199 HydrophobicContact CD2-CD1 3.76Å; Y195-L199 HydrophobicContact CD2-CG 4.48Å; Y195-L199 HydrophobicContact CE1-CB 4.43Å; Y195-L199 HydrophobicContact CE2-CB 4.05Å; Y195-L199 HydrophobicContact CE2-CD1 4.21Å; Y195-L199 HydrophobicContact CG-CB 4.1Å; Y195-L199 HydrophobicContact CG-CD1 4.41Å; Y195-L199 CarbonylContact O-C 3.49Å; Y195-L199 WeakPolarHBondContact O-CA 3.37Å; Y195-L199 PolarHBondContact O-N 3.36Å; Y195-T200 PolarHBondContact O-N 2.79Å; Y195-T200 PolarHBondContact O-OG1 3.4Å; Y195-S203 PolarHBondContact OH-OG 2.93Å; Y195-V206 HydrophobicContact CE2-CG2 4.47Å; Y195-Y242 AromaticContact CD2-CD1 3.95Å; Y195-Y242 HydrophobicContact CD2-CD1 3.95Å; Y195-Y242 HydrophobicContact CD2-CD2 4.04Å; Y195-Y242 AromaticContact CD2-CE1 3.84Å; Y195-Y242 HydrophobicContact CD2-CE1 3.84Å; Y195-Y242 AromaticContact CD2-CE2 3.93Å; Y195-Y242 HydrophobicContact CD2-CE2 3.93Å; Y195-Y242 HydrophobicContact CD2-CG 4.04Å; Y195-Y242 AromaticContact CD2-CZ 3.83Å; Y195-Y242 AromaticContact CE2-CD1 3.77Å; Y195-Y242 HydrophobicContact CE2-CD1 3.77Å; Y195-Y242 HydrophobicContact CE2-CD2 4.43Å; Y195-Y242 HydrophobicContact CE2-CE1 4.04Å; Y195-Y242 AromaticContact CE2-CG 3.99Å; Y195-Y242 HydrophobicContact CE2-CG 3.99Å; Y195-W245 HydrophobicContact CD1-CB 3.82Å; Y195-W245 HydrophobicContact CD1-CE3 4.4Å; Y195-W245 HydrophobicContact CD1-CG 4.45Å; Y195-W245 HydrophobicContact CD2-CB 4.24Å; Y195-W245 AromaticContact CD2-CE3 3.68Å; Y195-W245 HydrophobicContact CD2-CE3 3.68Å; Y195-W245 HydrophobicContact CD2-CZ3 4.47Å; Y195-W245 HydrophobicContact CE1-CB 3.69Å; Y195-W245 HydrophobicContact CE2-CB 4.08Å; Y195-W245 HydrophobicContact CE2-CE3 4.48Å; Y195-W245 HydrophobicContact CG-CB 4.12Å; Y195-W245 HydrophobicContact CG-CD2 4.28Å; Y195-W245 AromaticContact CG-CE3 3.64Å; Y195-W245 HydrophobicContact CG-CE3 3.64Å; Y195-W245 HydrophobicContact CG-CZ3 4.42Å; Y195-A246 WeakPolarHBondContact OH-CA 3.45Å; Y195-A246 WeakPolarHBondContact OH-CB 3.45Å; Y195-A246 PolarHBondContact OH-N 3.38Å; Y195-F303 HydrophobicContact CD1-CE1 4.48Å; Y195-F303 AromaticContact CD1-CE2 3.86Å; Y195-F303 HydrophobicContact CD1-CE2 3.86Å; Y195-F303 AromaticContact CD1-CZ 3.72Å; Y195-F303 HydrophobicContact CD1-CZ 3.72Å; Y195-F303 AromaticContact CE1-CE2 3.87Å; Y195-F303 HydrophobicContact CE1-CE2 3.87Å; Y195-F303 AromaticContact CE1-CZ 3.92Å; Y195-F303 HydrophobicContact CE1-CZ 3.92Å
196	A	98.8	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.135	C	C	.	.	I	π-helix	trans	-61.4	-38.4	-176.2	0	0	0	0	0	113.4	Q192 R193 Y194 T200 T300 F303	Q192-A196 WeakPolarHBondContact O-CB 3.22Å; Q192-A196 PolarHBondContact O-N 2.97Å; R193-A196 PolarHBondContact O-N 3.45Å; Y194-A196 PolarHBondContact O-N 3.25Å; A196-T200 WeakPolarHBondContact CA-OG1 3.34Å; A196-T200 PolarHBondContact O-OG1 2.79Å; A196-T300 HydrophobicContact CB-CG2 4.32Å; A196-F303 HydrophobicContact CB-CB 3.56Å; A196-F303 HydrophobicContact CB-CD1 3.91Å; A196-F303 HydrophobicContact CB-CD2 4.19Å; A196-F303 HydrophobicContact CB-CG 3.61Å
197	N	98.8	Very high	98.6	Very high	13 Å²	13	29.1 Å²	29.1	7%	0.07	14%	0.14	C	C	.	.	I	π-helix	trans	-94.1	-19.2	-172.6	-70.2	-94.5	0	0	0	113.6	Y27 R193 Y194 Y195 N296 L299 T300 L333	Y27-N197 HydrophobicContact CD2-CB 3.77Å; Y27-N197 HydrophobicContact CE2-CB 3.8Å; R193-N197 PolarHBondContact O-N 3.37Å; R193-N197 PolarHBondContact O-ND2 2.83Å; Y194-N197 PolarHBondContact O-N 3.01Å; Y195-N197 VanDerWaalsContact C-N 3.33Å; Y195-N197 PolarHBondContact O-N 3.34Å; N197-N296 PolarHBondContact ND2-O 3.24Å; N197-N296 VanDerWaalsContact OD1-CA 3.29Å; N197-N296 WeakPolarHBondContact OD1-CA 3.33Å; N197-N296 WeakPolarHBondContact OD1-CB 3.32Å; N197-N296 PolarHBondContact OD1-ND2 2.76Å; N197-L299 WeakPolarHBondContact OD1-CB 3.37Å; N197-L299 WeakPolarHBondContact OD1-CD1 3.3Å; N197-T300 PolarHBondContact ND2-OG1 2.9Å; N197-L333 WeakPolarHBondContact O-CD2 3.33Å
198	I	98.4	Very high	98.6	Very high	16 Å²	16	32.8 Å²	32.8	8%	0.082	16%	0.164	C	C	.	.	I	π-helix	trans	-117.9	-44.8	-175.6	-60.7	173.1	0	0	0	110.9	Y27 Y194 F202	Y27-I198 HydrophobicContact CD2-CD1 4.08Å; Y27-I198 HydrophobicContact CD2-CG1 4.21Å; Y27-I198 HydrophobicContact CE2-CD1 4.16Å; Y27-I198 HydrophobicContact CE2-CG1 4.43Å; Y194-I198 HydrophobicContact CD2-CD1 3.64Å; Y194-I198 HydrophobicContact CE2-CD1 3.46Å; Y194-I198 VanDerWaalsContact CE2-CD1 3.46Å; Y194-I198 HydrophobicContact CG-CD1 4.34Å; Y194-I198 WeakPolarHBondContact O-CB 3.46Å; Y194-I198 PolarHBondContact O-N 2.95Å; I198-F202 WeakPolarHBondContact O-CE2 3.45Å
199	L	98.6	Very high	98.5	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.037	15%	0.153	C	C	.	.	I	π-helix	trans	-97.8	-16.4	-166.8	-57.8	-178.9	0	0	0	115	H147 Y194 Y195 P201 F202 S203 Y242	H147-L199 HydrophobicContact CB-CD2 3.92Å; Y194-L199 HydrophobicContact CD1-CD1 4.18Å; Y194-L199 HydrophobicContact CD1-CG 4.49Å; Y194-L199 HydrophobicContact CE1-CD1 3.9Å; Y194-L199 HydrophobicContact CE1-CG 4.14Å; Y195-L199 HydrophobicContact CD1-CB 4.37Å; Y195-L199 HydrophobicContact CD2-CB 3.94Å; Y195-L199 HydrophobicContact CD2-CD1 3.76Å; Y195-L199 HydrophobicContact CD2-CG 4.48Å; Y195-L199 HydrophobicContact CE1-CB 4.43Å; Y195-L199 HydrophobicContact CE2-CB 4.05Å; Y195-L199 HydrophobicContact CE2-CD1 4.21Å; Y195-L199 HydrophobicContact CG-CB 4.1Å; Y195-L199 HydrophobicContact CG-CD1 4.41Å; Y195-L199 CarbonylContact O-C 3.49Å; Y195-L199 WeakPolarHBondContact O-CA 3.37Å; Y195-L199 PolarHBondContact O-N 3.36Å; L199-P201 VanDerWaalsContact C-CD 3.44Å; L199-F202 CarbonylContact O-C 3.6Å; L199-F202 PolarHBondContact O-N 2.81Å; L199-S203 PolarHBondContact O-N 3.41Å; L199-Y242 HydrophobicContact CD1-CE1 3.49Å; L199-Y242 VanDerWaalsContact CD1-CE1 3.49Å; L199-Y242 VanDerWaalsContact CD1-OH 3.31Å; L199-Y242 WeakPolarHBondContact CD1-OH 3.33Å
200	T	98.9	Very high	98.5	Very high	11 Å²	11	26.2 Å²	26.2	7%	0.067	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-43.2	-51.3	176.5	-59.2	0	0	0	0	113.8	Y195 A196 F202 S203 F303 L333 F335	Y195-T200 PolarHBondContact O-N 2.79Å; Y195-T200 PolarHBondContact O-OG1 3.4Å; A196-T200 WeakPolarHBondContact CA-OG1 3.34Å; A196-T200 PolarHBondContact O-OG1 2.79Å; T200-F202 PolarHBondContact O-N 2.85Å; T200-F202 VanDerWaalsContact O-N 3.13Å; T200-S203 VanDerWaalsContact O-CB 3.32Å; T200-S203 WeakPolarHBondContact O-CB 3.37Å; T200-S203 PolarHBondContact O-N 3.21Å; T200-S203 VanDerWaalsContact O-N 3.13Å; T200-S203 PolarHBondContact O-OG 3.1Å; T200-F303 HydrophobicContact CG2-CD2 4.33Å; T200-F303 WeakPolarHBondContact OG1-CD2 3.46Å; T200-L333 CarbonylContact C-O 3.57Å; T200-L333 VanDerWaalsContact CG2-O 3.25Å; T200-L333 WeakPolarHBondContact CG2-O 3.33Å; T200-F335 HydrophobicContact CG2-CD1 3.79Å; T200-F335 HydrophobicContact CG2-CE1 3.86Å
201	P	98.6	Very high	98.5	Very high	32 Å²	32	29.7 Å²	29.7	21%	0.208	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-65.9	-18.6	-176.8	24.9	-34.1	0	0	0	114.3	L199 G332 L333 R334	L199-P201 VanDerWaalsContact C-CD 3.44Å; P201-G332 WeakPolarHBondContact CB-O 3.28Å; P201-L333 WeakPolarHBondContact CA-O 3.37Å; P201-L333 HydrophobicContact CG-CD2 4.43Å; P201-R334 HydrophobicContact CB-CB 4.45Å; P201-R334 HydrophobicContact CB-CG 4.47Å
202	F	98.3	Very high	98.4	Very high	43 Å²	43	33.1 Å²	33.1	19%	0.189	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-101.2	3.8	-179.3	-46	-61.5	0	0	0	113.1	M145 L146 H147 I198 L199 T200 R204 L205	M145-F202 HydrophobicContact CB-CD1 4.3Å; M145-F202 HydrophobicContact CE-CD1 4.34Å; M145-F202 HydrophobicContact CE-CE1 3.6Å; M145-F202 HydrophobicContact CE-CZ 4.25Å; M145-F202 WeakPolarHBondContact O-CB 3.33Å; M145-F202 WeakPolarHBondContact O-CD1 3.38Å; M145-F202 WeakPolarHBondContact O-CG 3.49Å; L146-F202 HydrophobicContact CD2-CB 3.98Å; H147-F202 HydrophobicContact CB-CD2 3.89Å; H147-F202 HydrophobicContact CB-CE2 3.72Å; I198-F202 WeakPolarHBondContact O-CE2 3.45Å; L199-F202 CarbonylContact O-C 3.6Å; L199-F202 PolarHBondContact O-N 2.81Å; T200-F202 PolarHBondContact O-N 2.85Å; T200-F202 VanDerWaalsContact O-N 3.13Å; F202-R204 PolarHBondContact O-N 3.37Å; F202-L205 HydrophobicContact CB-CD1 4.49Å; F202-L205 WeakPolarHBondContact O-CB 3.24Å; F202-L205 PolarHBondContact O-N 3.5Å
203	S	97.9	Very high	98.2	Very high	9 Å²	9	34.3 Å²	34.3	6%	0.063	18%	0.178	C	C	.	.	H	α-helix	trans	-51.6	-29.2	-176.9	-67.6	0	0	0	0	114.3	Y195 L199 T200 L205 V206	Y195-S203 PolarHBondContact OH-OG 2.93Å; L199-S203 PolarHBondContact O-N 3.41Å; T200-S203 VanDerWaalsContact O-CB 3.32Å; T200-S203 WeakPolarHBondContact O-CB 3.37Å; T200-S203 PolarHBondContact O-N 3.21Å; T200-S203 VanDerWaalsContact O-N 3.13Å; T200-S203 PolarHBondContact O-OG 3.1Å; S203-L205 PolarHBondContact O-N 3.21Å; S203-V206 PolarHBondContact O-N 2.72Å
204	R	98.1	Very high	98	Very high	134 Å²	134	38.9 Å²	38.9	51%	0.506	20%	0.204	S	C	.	.	H	α-helix	trans	-69	-18.3	176.4	-68.4	-66	177.5	-83.9	-2	114.4	F202 P208 D248	F202-R204 PolarHBondContact O-N 3.37Å; R204-P208 WeakPolarHBondContact O-CD 3.42Å; R204-P208 WeakPolarHBondContact O-CG 3.12Å; R204-D248 IonicContact CZ-OD1 2.74Å; R204-D248 IonicContact CZ-OD2 3.83Å; R204-D248 IonicContact NH1-OD1 3.33Å; R204-D248 PolarHBondContact NH1-OD1 3.46Å; R204-D248 IonicContact NH1-OD2 3.75Å; R204-D248 IonicContact NH2-OD1 2.85Å; R204-D248 PolarHBondContact NH2-OD1 3.17Å; R204-D248 IonicContact NH2-OD2 2.71Å; R204-D248 PolarHBondContact NH2-OD2 3.16Å
205	L	98.4	Very high	97.9	Very high	72 Å²	72	41.2 Å²	41.2	38%	0.377	23%	0.228	S	C	.	.	H	α-helix	trans	-92.9	-23.3	179	-53.6	179.4	0	0	0	112.1	M145 L146 F202 S203 P208 K209	M145-L205 HydrophobicContact CB-CD1 3.55Å; L146-L205 HydrophobicContact CD1-CB 4.25Å; L146-L205 HydrophobicContact CD2-CB 4.01Å; L146-L205 HydrophobicContact CG-CB 4.13Å; F202-L205 HydrophobicContact CB-CD1 4.49Å; F202-L205 WeakPolarHBondContact O-CB 3.24Å; F202-L205 PolarHBondContact O-N 3.5Å; S203-L205 PolarHBondContact O-N 3.21Å; L205-P208 WeakPolarHBondContact O-CD 3.36Å; L205-K209 WeakPolarHBondContact O-CB 3.22Å; L205-K209 PolarHBondContact O-N 2.99Å; L205-K209 VanDerWaalsContact O-N 3.12Å
206	V	97.8	Very high	97.7	Very high	6 Å²	6	45 Å²	45	4%	0.036	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-57.5	-175.8	175.4	0	0	0	0	111.8	L146 Y195 S203 K209 I210 Y242 A246	L146-V206 HydrophobicContact CD2-CG2 3.8Å; Y195-V206 HydrophobicContact CE2-CG2 4.47Å; S203-V206 PolarHBondContact O-N 2.72Å; V206-K209 PolarHBondContact O-N 3.36Å; V206-I210 HydrophobicContact CG1-CD1 3.63Å; V206-I210 HydrophobicContact CG1-CG1 4.41Å; V206-I210 WeakPolarHBondContact O-CG1 3.16Å; V206-I210 PolarHBondContact O-N 3.44Å; V206-Y242 HydrophobicContact CG1-CD1 4.3Å; V206-A246 HydrophobicContact CB-CB 3.78Å; V206-A246 HydrophobicContact CG1-CB 3.86Å; V206-A246 HydrophobicContact CG2-CB 4.44Å
207	T	97.9	Very high	97.6	Very high	56 Å²	56	51.9 Å²	51.9	34%	0.344	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-47	-176.6	-53.9	0	0	0	0	113.1	K209 T211 L243	T207-K209 VanDerWaalsContact C-N 3.34Å; T207-K209 PolarHBondContact O-N 2.78Å; T207-T211 WeakPolarHBondContact O-CB 3.31Å; T207-T211 PolarHBondContact O-N 3.07Å; T207-T211 PolarHBondContact O-OG1 3.06Å; T207-L243 HydrophobicContact CG2-CD2 3.95Å
208	P	98.4	Very high	97.5	Very high	80 Å²	80	53.8 Å²	53.8	52%	0.519	29%	0.291	S	S	.	.	H	α-helix	trans	-57.7	-43.3	174.3	-26	35.6	0	0	0	113	R204 L205 T211 E212	R204-P208 WeakPolarHBondContact O-CD 3.42Å; R204-P208 WeakPolarHBondContact O-CG 3.12Å; L205-P208 WeakPolarHBondContact O-CD 3.36Å; P208-T211 WeakPolarHBondContact O-CB 3.33Å; P208-T211 PolarHBondContact O-N 3.14Å; P208-E212 PolarHBondContact O-N 3.4Å
209	K	98.3	Very high	97.5	Very high	27 Å²	27	57 Å²	57	12%	0.117	31%	0.313	C	S	.	.	H	α-helix	trans	-69	-42.6	-178.5	-176.1	56.2	64	177.9	0	112.8	V141 E142 T143 L146 L205 V206 T207 T211 E212 I213	V141-K209 HydrophobicContact CG1-CD 4.36Å; E142-K209 WeakPolarHBondContact O-CE 3.46Å; E142-K209 PolarHBondContact O-NZ 3.35Å; T143-K209 HydrophobicContact CG2-CD 3.84Å; T143-K209 HydrophobicContact CG2-CG 3.87Å; L146-K209 HydrophobicContact CD1-CB 3.8Å; L146-K209 HydrophobicContact CD1-CG 3.92Å; L205-K209 WeakPolarHBondContact O-CB 3.22Å; L205-K209 PolarHBondContact O-N 2.99Å; L205-K209 VanDerWaalsContact O-N 3.12Å; V206-K209 PolarHBondContact O-N 3.36Å; T207-K209 VanDerWaalsContact C-N 3.34Å; T207-K209 PolarHBondContact O-N 2.78Å; K209-T211 VanDerWaalsContact C-N 3.28Å; K209-T211 PolarHBondContact O-N 2.92Å; K209-E212 VanDerWaalsContact CE-OE2 3.27Å; K209-E212 WeakPolarHBondContact CE-OE2 3.32Å; K209-E212 VanDerWaalsContact NZ-CD 3.34Å; K209-E212 IonicContact NZ-OE1 3.31Å; K209-E212 PolarHBondContact NZ-OE1 2.72Å; K209-E212 IonicContact NZ-OE2 3.69Å; K209-E212 PolarHBondContact NZ-OE2 3.22Å; K209-E212 WeakPolarHBondContact O-CB 3.48Å; K209-E212 PolarHBondContact O-N 3.5Å; K209-I213 HydrophobicContact CD-CD1 4.28Å; K209-I213 HydrophobicContact CD-CG1 4.42Å; K209-I213 HydrophobicContact CG-CD1 4.15Å; K209-I213 WeakPolarHBondContact O-CG1 3.38Å; K209-I213 PolarHBondContact O-N 2.82Å
210	I	97.7	Very high	97.5	Very high	9 Å²	9	58.9 Å²	58.9	5%	0.046	33%	0.325	C	S	.	.	H	α-helix	trans	-60.3	-42.9	173.2	-69.3	172.1	0	0	0	110	F168 V206 E212 I213 L214 V239 L243	F168-I210 HydrophobicContact CE1-CD1 4.32Å; F168-I210 HydrophobicContact CZ-CD1 4.43Å; F168-I210 HydrophobicContact CZ-CG1 4.4Å; V206-I210 HydrophobicContact CG1-CD1 3.63Å; V206-I210 HydrophobicContact CG1-CG1 4.41Å; V206-I210 WeakPolarHBondContact O-CG1 3.16Å; V206-I210 PolarHBondContact O-N 3.44Å; I210-E212 VanDerWaalsContact C-N 3.34Å; I210-E212 PolarHBondContact O-N 3.12Å; I210-I213 PolarHBondContact O-N 3.18Å; I210-L214 HydrophobicContact CG2-CD1 3.95Å; I210-L214 HydrophobicContact CG2-CG 4.29Å; I210-L214 WeakPolarHBondContact O-CB 3.5Å; I210-L214 VanDerWaalsContact O-CG 3.28Å; I210-L214 WeakPolarHBondContact O-CG 3.46Å; I210-L214 PolarHBondContact O-N 3.4Å; I210-V239 HydrophobicContact CD1-CG1 4.09Å; I210-V239 HydrophobicContact CG1-CG1 4.43Å; I210-V239 HydrophobicContact CG2-CG1 3.69Å; I210-L243 HydrophobicContact CB-CD2 4.18Å; I210-L243 HydrophobicContact CD1-CD2 3.9Å; I210-L243 HydrophobicContact CD1-CG 3.94Å; I210-L243 HydrophobicContact CG2-CD1 4.22Å; I210-L243 HydrophobicContact CG2-CD2 4.05Å; I210-L243 HydrophobicContact CG2-CG 4.28Å
211	T	98.2	Very high	97.5	Very high	86 Å²	86	62.4 Å²	62.4	53%	0.528	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-40.6	177.9	-55.6	0	0	0	0	112.1	T207 P208 K209 G215	T207-T211 WeakPolarHBondContact O-CB 3.31Å; T207-T211 PolarHBondContact O-N 3.07Å; T207-T211 PolarHBondContact O-OG1 3.06Å; P208-T211 WeakPolarHBondContact O-CB 3.33Å; P208-T211 PolarHBondContact O-N 3.14Å; K209-T211 VanDerWaalsContact C-N 3.28Å; K209-T211 PolarHBondContact O-N 2.92Å; T211-G215 PolarHBondContact O-N 3.25Å
212	E	98	Very high	97.5	Very high	73 Å²	73	62 Å²	62	34%	0.341	34%	0.339	S	S	.	.	H	α-helix	trans	-60.9	-49	175.1	-178.3	-173.1	165.6	0	0	111.6	P208 K209 I210 L214 G215 F216	P208-E212 PolarHBondContact O-N 3.4Å; K209-E212 VanDerWaalsContact CE-OE2 3.27Å; K209-E212 WeakPolarHBondContact CE-OE2 3.32Å; K209-E212 VanDerWaalsContact NZ-CD 3.34Å; K209-E212 IonicContact NZ-OE1 3.31Å; K209-E212 PolarHBondContact NZ-OE1 2.72Å; K209-E212 IonicContact NZ-OE2 3.69Å; K209-E212 PolarHBondContact NZ-OE2 3.22Å; K209-E212 WeakPolarHBondContact O-CB 3.48Å; K209-E212 PolarHBondContact O-N 3.5Å; I210-E212 VanDerWaalsContact C-N 3.34Å; I210-E212 PolarHBondContact O-N 3.12Å; E212-L214 PolarHBondContact O-N 2.92Å; E212-G215 WeakPolarHBondContact O-CA 3.43Å; E212-G215 PolarHBondContact O-N 2.62Å; E212-F216 HydrophobicContact CG-CZ 4.16Å; E212-F216 PolarHBondContact O-N 2.84Å
213	I	95.2	Very high	97.5	Very high	29 Å²	29	60 Å²	60	15%	0.149	33%	0.33	C	S	.	.	H	α-helix	trans	-61.5	-45.4	179	-67.7	166.8	0	0	0	111	V141 M153 K209 I210 G215 F216	V141-I213 HydrophobicContact CG1-CD1 4.44Å; V141-I213 HydrophobicContact CG1-CG1 4.05Å; M153-I213 HydrophobicContact SD-CD1 3.92Å; K209-I213 HydrophobicContact CD-CD1 4.28Å; K209-I213 HydrophobicContact CD-CG1 4.42Å; K209-I213 HydrophobicContact CG-CD1 4.15Å; K209-I213 WeakPolarHBondContact O-CG1 3.38Å; K209-I213 PolarHBondContact O-N 2.82Å; I210-I213 PolarHBondContact O-N 3.18Å; I213-G215 PolarHBondContact O-N 2.81Å; I213-F216 WeakPolarHBondContact O-CB 3.27Å; I213-F216 PolarHBondContact O-N 3.4Å; I213-F216 VanDerWaalsContact O-N 3.07Å
214	L	94.8	Very high	97.5	Very high	113 Å²	113	59.7 Å²	59.7	59%	0.592	33%	0.328	S	S	*	.	H	α-helix	trans	-59.8	-33	175.2	-69.5	175.4	0	0	0	111.8	I210 E212 F216 N217	I210-L214 HydrophobicContact CG2-CD1 3.95Å; I210-L214 HydrophobicContact CG2-CG 4.29Å; I210-L214 WeakPolarHBondContact O-CB 3.5Å; I210-L214 VanDerWaalsContact O-CG 3.28Å; I210-L214 WeakPolarHBondContact O-CG 3.46Å; I210-L214 PolarHBondContact O-N 3.4Å; E212-L214 PolarHBondContact O-N 2.92Å; L214-F216 PolarHBondContact O-N 3.11Å; L214-N217 PolarHBondContact O-N 3.46Å
215	G	96	Very high	97.6	Very high	50 Å²	50	53.3 Å²	53.3	52%	0.515	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-21.4	176.1	0	0	0	0	0	114.5	T211 E212 I213 N217	T211-G215 PolarHBondContact O-N 3.25Å; E212-G215 WeakPolarHBondContact O-CA 3.43Å; E212-G215 PolarHBondContact O-N 2.62Å; I213-G215 PolarHBondContact O-N 2.81Å; G215-N217 PolarHBondContact O-N 3.25Å; G215-N217 PolarHBondContact O-ND2 3.14Å
216	F	95	Very high	97.6	Very high	78 Å²	78	49.9 Å²	49.9	34%	0.342	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.6	174.3	-58.4	-39.1	0	0	0	113.3	T126 V141 E212 I213 L214 L218	T126-F216 HydrophobicContact CG2-CE2 4.33Å; T126-F216 HydrophobicContact CG2-CZ 3.68Å; V141-F216 HydrophobicContact CG1-CE2 4.27Å; V141-F216 HydrophobicContact CG2-CD2 4.47Å; V141-F216 HydrophobicContact CG2-CE2 3.84Å; E212-F216 HydrophobicContact CG-CZ 4.16Å; E212-F216 PolarHBondContact O-N 2.84Å; I213-F216 WeakPolarHBondContact O-CB 3.27Å; I213-F216 PolarHBondContact O-N 3.4Å; I213-F216 VanDerWaalsContact O-N 3.07Å; L214-F216 PolarHBondContact O-N 3.11Å; F216-L218 HydrophobicContact CB-CD1 3.82Å; F216-L218 HydrophobicContact CB-CG 3.79Å; F216-L218 HydrophobicContact CD2-CD1 4.37Å; F216-L218 HydrophobicContact CG-CD1 4.48Å; F216-L218 PolarHBondContact O-N 3.47Å
217	N	97.1	Very high	97.7	Very high	145 Å²	145	49.7 Å²	49.7	78%	0.775	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	35.8	-176.9	-58.2	-72	0	0	0	112.9	L214 G215	L214-N217 PolarHBondContact O-N 3.46Å; G215-N217 PolarHBondContact O-N 3.25Å; G215-N217 PolarHBondContact O-ND2 3.14Å
218	L	95.9	Very high	97.7	Very high	53 Å²	53	47.2 Å²	47.2	28%	0.277	27%	0.271	S	S	.	.			trans	-83.6	128.8	174.6	-65.3	171.7	0	0	0	109.1	I139 Y155 F216	I139-L218 HydrophobicContact CD1-CD1 4.22Å; I139-L218 HydrophobicContact CD1-CD2 4.26Å; Y155-L218 HydrophobicContact CD1-CD1 3.73Å; Y155-L218 HydrophobicContact CD1-CD2 4.43Å; Y155-L218 HydrophobicContact CD1-CG 4.5Å; Y155-L218 HydrophobicContact CD2-CD1 4.5Å; Y155-L218 HydrophobicContact CE1-CB 4.11Å; Y155-L218 HydrophobicContact CE1-CD1 3.87Å; Y155-L218 HydrophobicContact CE1-CD2 3.81Å; Y155-L218 HydrophobicContact CE1-CG 4.13Å; Y155-L218 HydrophobicContact CE2-CB 4.09Å; Y155-L218 HydrophobicContact CG-CD1 4.05Å; F216-L218 HydrophobicContact CB-CD1 3.82Å; F216-L218 HydrophobicContact CB-CG 3.79Å; F216-L218 HydrophobicContact CD2-CD1 4.37Å; F216-L218 HydrophobicContact CG-CD1 4.48Å; F216-L218 PolarHBondContact O-N 3.47Å
219	P	98.1	Very high	97.7	Very high	83 Å²	83	43.6 Å²	43.6	54%	0.539	25%	0.247	S	C	.	.			trans	-59.5	145.2	171.3	-21.4	32.9	0	0	0	111	Y155 A160	Y155-P219 VanDerWaalsContact CE2-O 3.23Å; Y155-P219 WeakPolarHBondContact CE2-O 3.19Å; Y155-P219 PolarHBondContact OH-O 2.95Å; A160-P219 HydrophobicContact CB-CB 4.08Å; A160-P219 WeakPolarHBondContact CB-O 3.4Å
220	V	98.5	Very high	97.8	Very high	48 Å²	48	42.3 Å²	42.3	29%	0.291	24%	0.241	S	C	.	.			trans	-129	100.3	175.5	-177.2	0	0	0	0	108.4	L162 I223	L162-V220 HydrophobicContact CB-CG1 4.49Å; V220-I223 HydrophobicContact CG1-CD1 4.31Å; V220-I223 HydrophobicContact CG1-CG1 3.69Å
221	D	98.6	Very high	97.8	Very high	85 Å²	85	42.1 Å²	42.1	46%	0.455	24%	0.24	S	C	.	.	S	Bend	trans	-87.6	-32	176.2	-77.5	5.6	0	0	0	111.3	K6 A160	K6-D221 VanDerWaalsContact NZ-CB 3.27Å; K6-D221 IonicContact NZ-OD2 3.55Å; K6-D221 PolarHBondContact NZ-OD2 3.25Å; A160-D221 HydrophobicContact CB-CB 4.01Å; A160-D221 PolarHBondContact O-N 3.36Å
222	M	98.9	Very high	97.9	Very high	24 Å²	24	41.8 Å²	41.8	12%	0.118	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	149.4	174.9	-58.9	-176.9	178.5	0	0	112.1	V5 K6 A160 V161 L162 V230 W231 R232	V5-M222 HydrophobicContact CG1-SD 3.87Å; K6-M222 HydrophobicContact CB-CE 3.93Å; K6-M222 HydrophobicContact CB-SD 3.93Å; K6-M222 HydrophobicContact CD-CE 4.06Å; K6-M222 HydrophobicContact CD-SD 4.22Å; K6-M222 HydrophobicContact CG-CE 4.28Å; A160-M222 PolarHBondContact O-N 3.15Å; V161-M222 WeakPolarHBondContact CA-O 3.41Å; V161-M222 HydrophobicContact CG1-CB 4.28Å; V161-M222 HydrophobicContact CG2-CB 4.17Å; L162-M222 PolarHBondContact N-O 3.45Å; M222-V230 HydrophobicContact CB-CG1 4.26Å; M222-V230 HydrophobicContact SD-CG1 4.27Å; M222-W231 CarbonylContact C-O 3.45Å; M222-W231 WeakPolarHBondContact CA-O 3.39Å; M222-R232 HydrophobicContact CE-CB 3.8Å; M222-R232 HydrophobicContact CG-CB 3.89Å; M222-R232 HydrophobicContact SD-CB 4.12Å
223	I	98.9	Very high	97.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	112.9	166.8	-57.8	173	0	0	0	108	L162 S164 F168 V220 T225 W231 P235 I238 V239	L162-I223 HydrophobicContact CB-CG1 4.42Å; L162-I223 HydrophobicContact CD2-CG1 4.5Å; L162-I223 CarbonylContact O-C 3.6Å; L162-I223 WeakPolarHBondContact O-CA 3.48Å; S164-I223 VanDerWaalsContact OG-CG2 3.26Å; S164-I223 WeakPolarHBondContact OG-CG2 3.33Å; F168-I223 HydrophobicContact CB-CG2 4.3Å; F168-I223 HydrophobicContact CD2-CD1 4.4Å; F168-I223 HydrophobicContact CD2-CG2 3.84Å; F168-I223 HydrophobicContact CG-CG2 4.46Å; V220-I223 HydrophobicContact CG1-CD1 4.31Å; V220-I223 HydrophobicContact CG1-CG1 3.69Å; I223-T225 HydrophobicContact CG2-CG2 4.22Å; I223-W231 HydrophobicContact CB-CB 4.14Å; I223-W231 PolarHBondContact N-O 2.68Å; I223-W231 PolarHBondContact O-N 3.35Å; I223-P235 HydrophobicContact CD1-CB 4.22Å; I223-P235 HydrophobicContact CG1-CB 4.08Å; I223-I238 HydrophobicContact CD1-CG2 4.25Å; I223-V239 HydrophobicContact CD1-CG2 3.67Å
224	A	98.9	Very high	98.1	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	94.6	-176.2	0	0	0	0	0	109.5	Y38 V161 L162 F163 S164 V230	Y38-A224 HydrophobicContact CE1-CB 3.9Å; Y38-A224 HydrophobicContact CE2-CB 4.16Å; V161-A224 HydrophobicContact CG1-CB 3.85Å; L162-A224 PolarHBondContact O-N 2.75Å; F163-A224 VanDerWaalsContact CA-O 3.3Å; F163-A224 WeakPolarHBondContact CA-O 3.21Å; F163-A224 HydrophobicContact CD1-CB 3.77Å; F163-A224 HydrophobicContact CE1-CB 3.99Å; S164-A224 PolarHBondContact N-O 3.43Å; A224-V230 HydrophobicContact CB-CG1 4.29Å; A224-V230 HydrophobicContact CB-CG2 4.24Å
225	T	98.9	Very high	98.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	169.2	-175.4	64.1	0	0	0	0	111.4	N36 Y38 N165 F168 I223 H227 V229	N36-T225 WeakPolarHBondContact CB-O 3.11Å; N36-T225 PolarHBondContact ND2-O 2.97Å; Y38-T225 PolarHBondContact OH-O 2.97Å; N165-T225 CarbonylContact O-C 3.5Å; N165-T225 WeakPolarHBondContact O-CA 3.27Å; N165-T225 WeakPolarHBondContact O-CB 3.05Å; F168-T225 HydrophobicContact CB-CG2 4.1Å; I223-T225 HydrophobicContact CG2-CG2 4.22Å; T225-H227 VanDerWaalsContact C-N 3.35Å; T225-H227 PolarHBondContact OG1-O 2.87Å; T225-V229 PolarHBondContact OG1-O 3.12Å
226	S	98.9	Very high	98.3	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	22%	0.223	C	C	.	.	S	Bend	trans	-79.7	-16.4	170.6	59.7	0	0	0	0	113.1	Y35 N36 H84 N165 D166	Y35-S226 CarbonylContact C-O 3.56Å; Y35-S226 WeakPolarHBondContact CA-O 3.22Å; N36-S226 WeakPolarHBondContact CB-O 3.42Å; N36-S226 PolarHBondContact N-O 3.27Å; H84-S226 WeakPolarHBondContact CE1-CB 3.27Å; H84-S226 PolarHBondContact CE1-OG 3.31Å; H84-S226 WeakPolarHBondContact NE2-CB 3.45Å; H84-S226 PolarHBondContact NE2-OG 3.43Å; N165-S226 PolarHBondContact O-N 2.91Å; N165-S226 PolarHBondContact O-OG 2.86Å; D166-S226 PolarHBondContact N-OG 3.29Å; D166-S226 VanDerWaalsContact N-OG 3.14Å
227	H	98.9	Very high	98.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	22%	0.217	C	C	.	.	S	Bend	trans	-131.4	132.4	-178.7	-68.9	-55.3	0	0	0	113	S34 D83 H84 D166 G169 Q170 H171 T225	S34-H227 PolarHBondContact O-ND1 2.81Å; D83-H227 IonicContact OD2-CE1 2.84Å; D83-H227 PolarHBondContact OD2-CE1 3.38Å; D83-H227 IonicContact OD2-NE2 3.51Å; D83-H227 PolarHBondContact OD2-NE2 3.31Å; H84-H227 AromaticContact CE1-CD2 3.89Å; H84-H227 AromaticContact CE1-CE1 3.47Å; H84-H227 PolarHBondContact CE1-CE1 2.84Å; H84-H227 VanDerWaalsContact CE1-CE1 3.47Å; H84-H227 AromaticContact CE1-NE2 3.37Å; H84-H227 PolarHBondContact CE1-NE2 3.39Å; H84-H227 AromaticContact NE2-NE2 3.85Å; D166-H227 IonicContact OD1-CD2 3.48Å; D166-H227 PolarHBondContact OD1-CD2 2.67Å; D166-H227 IonicContact OD1-NE2 3.98Å; G169-H227 WeakPolarHBondContact CA-O 3.41Å; Q170-H227 PolarHBondContact N-O 3.22Å; Q170-H227 CarbonylContact O-C 3.56Å; H171-H227 AromaticContact CE1-CD2 3.81Å; H171-H227 AromaticContact CE1-CE1 3.68Å; H171-H227 AromaticContact CE1-NE2 3.48Å; H171-H227 PolarHBondContact CE1-NE2 3.05Å; H171-H227 AromaticContact ND1-ND1 3.97Å; T225-H227 VanDerWaalsContact C-N 3.35Å; T225-H227 PolarHBondContact OG1-O 2.87Å
228	G	98.8	Very high	98.6	Very high	5 Å²	5	33.3 Å²	33.3	5%	0.052	18%	0.18	C	C	.	.	S	Bend	trans	79.4	-136.5	173.6	0	0	0	0	0	113	S34 N36 Q170	S34-G228 VanDerWaalsContact OG-CA 3.32Å; S34-G228 WeakPolarHBondContact OG-CA 3.5Å; S34-G228 PolarHBondContact OG-N 2.91Å; N36-G228 PolarHBondContact ND2-O 3.4Å; Q170-G228 WeakPolarHBondContact O-CA 3.48Å; Q170-G228 PolarHBondContact O-N 3.22Å
229	V	98.9	Very high	98.7	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.018	17%	0.174	C	C	.	.			trans	-81.7	152.3	-172.2	-50.8	0	0	0	0	112.8	L177 N179 V182 L187 T225 W231	L177-V229 CarbonylContact O-C 3.54Å; L177-V229 WeakPolarHBondContact O-CA 3.45Å; L177-V229 WeakPolarHBondContact O-CB 3.28Å; N179-V229 HydrophobicContact CB-CB 4.32Å; N179-V229 HydrophobicContact CB-CG2 3.57Å; V182-V229 HydrophobicContact CG1-CG1 4.12Å; V182-V229 HydrophobicContact CG2-CG1 3.98Å; L187-V229 HydrophobicContact CD1-CG1 4.21Å; L187-V229 HydrophobicContact CD1-CG2 3.99Å; L187-V229 HydrophobicContact CD2-CG2 4.46Å; T225-V229 PolarHBondContact OG1-O 3.12Å; V229-W231 HydrophobicContact CG2-CD2 4.21Å; V229-W231 HydrophobicContact CG2-CZ2 4.32Å
230	V	99	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.5	157.9	176.8	0	0	0	0	108.6	V5 Y38 L177 F178 N179 M222 A224 R232	V5-V230 HydrophobicContact CG1-CG1 4.05Å; V5-V230 HydrophobicContact CG1-CG2 4.42Å; Y38-V230 HydrophobicContact CE1-CG2 4.2Å; L177-V230 HydrophobicContact CD1-CG2 3.94Å; L177-V230 HydrophobicContact CD2-CG2 4.13Å; L177-V230 HydrophobicContact CG-CB 4.34Å; L177-V230 HydrophobicContact CG-CG2 3.83Å; L177-V230 PolarHBondContact O-N 2.67Å; F178-V230 WeakPolarHBondContact CA-O 3.5Å; F178-V230 HydrophobicContact CD1-CB 3.91Å; F178-V230 HydrophobicContact CD1-CG1 4.13Å; F178-V230 HydrophobicContact CE1-CB 4.18Å; F178-V230 HydrophobicContact CE1-CG1 4.17Å; N179-V230 PolarHBondContact N-O 3.23Å; M222-V230 HydrophobicContact CB-CG1 4.26Å; M222-V230 HydrophobicContact SD-CG1 4.27Å; A224-V230 HydrophobicContact CB-CG1 4.29Å; A224-V230 HydrophobicContact CB-CG2 4.24Å; V230-R232 PolarHBondContact O-N 3.04Å
231	W	98.9	Very high	98.8	Very high	5 Å²	5	32.2 Å²	32.2	2%	0.019	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	103.9	174.3	-57.8	91.3	0	0	0	109.4	F168 N179 L187 M222 I223 V229 P235 Q237 I238	F168-W231 PolarHBondContact O-NE1 3.26Å; N179-W231 HydrophobicContact CB-CD2 4.18Å; N179-W231 HydrophobicContact CB-CE3 3.61Å; N179-W231 HydrophobicContact CB-CZ3 3.99Å; N179-W231 WeakPolarHBondContact OD1-CA 3.31Å; L187-W231 HydrophobicContact CD1-CH2 4.06Å; L187-W231 HydrophobicContact CD1-CZ2 4.23Å; L187-W231 HydrophobicContact CD2-CH2 3.74Å; L187-W231 HydrophobicContact CD2-CZ3 3.88Å; L187-W231 HydrophobicContact CG-CH2 3.94Å; M222-W231 CarbonylContact C-O 3.45Å; M222-W231 WeakPolarHBondContact CA-O 3.39Å; I223-W231 HydrophobicContact CB-CB 4.14Å; I223-W231 PolarHBondContact N-O 2.68Å; I223-W231 PolarHBondContact O-N 3.35Å; V229-W231 HydrophobicContact CG2-CD2 4.21Å; V229-W231 HydrophobicContact CG2-CZ2 4.32Å; W231-P235 HydrophobicContact CB-CB 4.12Å; W231-Q237 HydrophobicContact CE3-CG 3.95Å; W231-Q237 HydrophobicContact CZ3-CG 3.81Å; W231-I238 HydrophobicContact CD2-CB 4.07Å; W231-I238 HydrophobicContact CD2-CG2 3.84Å; W231-I238 HydrophobicContact CE3-CB 4.3Å; W231-I238 HydrophobicContact CE3-CG2 4.39Å; W231-I238 HydrophobicContact CG-CG2 4Å; W231-I238 HydrophobicContact CH2-CB 4.08Å; W231-I238 HydrophobicContact CH2-CD1 4.13Å; W231-I238 HydrophobicContact CH2-CG1 4.27Å; W231-I238 HydrophobicContact CZ2-CB 3.82Å; W231-I238 HydrophobicContact CZ2-CD1 3.84Å; W231-I238 HydrophobicContact CZ2-CG1 3.69Å; W231-I238 HydrophobicContact CZ2-CG2 4.36Å; W231-I238 HydrophobicContact CZ3-CB 4.32Å
232	R	98.8	Very high	98.8	Very high	80 Å²	80	28.5 Å²	28.5	30%	0.302	15%	0.145	S	C	.	.			trans	-112.8	-32.4	175.8	70.8	169.3	-177.7	-158	0.9	113.9	F178 N179 D180 E181 M222 V230	F178-R232 HydrophobicContact CB-CG 3.97Å; F178-R232 HydrophobicContact CD1-CB 4.09Å; F178-R232 VanDerWaalsContact CD1-CD 3.4Å; F178-R232 HydrophobicContact CD1-CG 3.73Å; F178-R232 VanDerWaalsContact CD2-CZ 3.48Å; F178-R232 HydrophobicContact CG-CG 4.08Å; F178-R232 VanDerWaalsContact CG-CZ 3.48Å; N179-R232 PolarHBondContact OD1-N 2.99Å; D180-R232 VanDerWaalsContact OD1-CG 3.29Å; D180-R232 WeakPolarHBondContact OD1-CG 3.33Å; D180-R232 IonicContact OD1-CZ 3.47Å; D180-R232 IonicContact OD1-NE 3.47Å; D180-R232 PolarHBondContact OD1-NE 2.92Å; D180-R232 IonicContact OD1-NH2 3.41Å; D180-R232 PolarHBondContact OD1-NH2 3.11Å; D180-R232 IonicContact OD2-CZ 2.87Å; D180-R232 IonicContact OD2-NE 2.67Å; D180-R232 PolarHBondContact OD2-NE 3.36Å; D180-R232 IonicContact OD2-NH2 2.74Å; D180-R232 PolarHBondContact OD2-NH2 3.43Å; E181-R232 VanDerWaalsContact CD-NH2 3.34Å; E181-R232 IonicContact OE1-CZ 3.35Å; E181-R232 IonicContact OE1-NH1 2.86Å; E181-R232 IonicContact OE1-NH2 2.74Å; E181-R232 PolarHBondContact OE1-NH2 2.99Å; M222-R232 HydrophobicContact CE-CB 3.8Å; M222-R232 HydrophobicContact CG-CB 3.89Å; M222-R232 HydrophobicContact SD-CB 4.12Å; V230-R232 PolarHBondContact O-N 3.04Å
233	D	98.8	Very high	98.8	Very high	96 Å²	96	30.1 Å²	30.1	51%	0.513	15%	0.154	S	C	.	.	S	Bend	trans	-94.9	118.4	175.6	-176.4	63.8	0	0	0	108.9	N179 D180 Q237	N179-D233 PolarHBondContact ND2-O 2.93Å; N179-D233 PolarHBondContact OD1-N 2.78Å; D180-D233 HydrophobicContact CB-CB 3.82Å; D233-Q237 PolarHBondContact O-NE2 2.88Å
234	N	98.6	Very high	98.7	Very high	86 Å²	86	35.8 Å²	35.8	46%	0.46	18%	0.179	S	C	.	.	S	Bend	trans	46.6	62.2	-175.3	-175.7	20.9	0	0	0	112.5	T236 Q237	N234-T236 PolarHBondContact O-N 3.44Å; N234-T236 VanDerWaalsContact O-N 3.1Å; N234-T236 PolarHBondContact OD1-OG1 3.45Å; N234-Q237 WeakPolarHBondContact O-CB 3.36Å; N234-Q237 WeakPolarHBondContact O-CG 3.43Å; N234-Q237 PolarHBondContact O-N 3.46Å; N234-Q237 PolarHBondContact O-NE2 2.87Å; N234-Q237 VanDerWaalsContact O-NE2 3.13Å
235	P	98.6	Very high	98.7	Very high	13 Å²	13	35.9 Å²	35.9	8%	0.084	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.7	-174.1	25.2	-35.7	0	0	0	113.3	I223 W231 Q237 I238	I223-P235 HydrophobicContact CD1-CB 4.22Å; I223-P235 HydrophobicContact CG1-CB 4.08Å; W231-P235 HydrophobicContact CB-CB 4.12Å; P235-Q237 PolarHBondContact O-N 3.46Å; P235-I238 WeakPolarHBondContact O-CG2 3.35Å
236	T	98.2	Very high	98.7	Very high	68 Å²	68	36 Å²	36	42%	0.417	18%	0.18	S	C	.	.	H	α-helix	trans	-68.5	-13.6	177.9	49.1	0	0	0	0	113.5	N234 I238 V239 E240	N234-T236 PolarHBondContact O-N 3.44Å; N234-T236 VanDerWaalsContact O-N 3.1Å; N234-T236 PolarHBondContact OD1-OG1 3.45Å; T236-I238 VanDerWaalsContact C-N 3.31Å; T236-I238 PolarHBondContact O-N 2.84Å; T236-V239 WeakPolarHBondContact O-CB 3.22Å; T236-V239 PolarHBondContact O-N 2.94Å; T236-E240 WeakPolarHBondContact O-CG 3.49Å; T236-E240 PolarHBondContact O-N 3.08Å
237	Q	98.7	Very high	98.7	Very high	46 Å²	46	39.2 Å²	39.2	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-57	-42.8	178.5	74.1	-175.6	-77.7	0	0	112.7	N179 W231 D233 N234 P235 E240 L241	N179-Q237 PolarHBondContact ND2-NE2 3.2Å; W231-Q237 HydrophobicContact CE3-CG 3.95Å; W231-Q237 HydrophobicContact CZ3-CG 3.81Å; D233-Q237 PolarHBondContact O-NE2 2.88Å; N234-Q237 WeakPolarHBondContact O-CB 3.36Å; N234-Q237 WeakPolarHBondContact O-CG 3.43Å; N234-Q237 PolarHBondContact O-N 3.46Å; N234-Q237 PolarHBondContact O-NE2 2.87Å; N234-Q237 VanDerWaalsContact O-NE2 3.13Å; P235-Q237 PolarHBondContact O-N 3.46Å; Q237-E240 PolarHBondContact O-N 3.38Å; Q237-L241 WeakPolarHBondContact O-CG 3.4Å; Q237-L241 PolarHBondContact O-N 2.66Å
238	I	98.8	Very high	98.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-74.9	-30.9	-178.9	-169.7	59.4	0	0	0	111.3	F168 C191 I223 W231 P235 T236 L241 Y242 W245	F168-I238 HydrophobicContact CB-CB 4.47Å; F168-I238 HydrophobicContact CB-CG1 3.79Å; F168-I238 HydrophobicContact CB-CG2 3.79Å; F168-I238 HydrophobicContact CD1-CG1 4.15Å; F168-I238 HydrophobicContact CD1-CG2 4.19Å; F168-I238 HydrophobicContact CG-CG1 4.41Å; F168-I238 HydrophobicContact CG-CG2 4.11Å; C191-I238 HydrophobicContact CB-CD1 4.11Å; I223-I238 HydrophobicContact CD1-CG2 4.25Å; W231-I238 HydrophobicContact CD2-CB 4.07Å; W231-I238 HydrophobicContact CD2-CG2 3.84Å; W231-I238 HydrophobicContact CE3-CB 4.3Å; W231-I238 HydrophobicContact CE3-CG2 4.39Å; W231-I238 HydrophobicContact CG-CG2 4Å; W231-I238 HydrophobicContact CH2-CB 4.08Å; W231-I238 HydrophobicContact CH2-CD1 4.13Å; W231-I238 HydrophobicContact CH2-CG1 4.27Å; W231-I238 HydrophobicContact CZ2-CB 3.82Å; W231-I238 HydrophobicContact CZ2-CD1 3.84Å; W231-I238 HydrophobicContact CZ2-CG1 3.69Å; W231-I238 HydrophobicContact CZ2-CG2 4.36Å; W231-I238 HydrophobicContact CZ3-CB 4.32Å; P235-I238 WeakPolarHBondContact O-CG2 3.35Å; T236-I238 VanDerWaalsContact C-N 3.31Å; T236-I238 PolarHBondContact O-N 2.84Å; I238-L241 HydrophobicContact CD1-CB 4.37Å; I238-L241 HydrophobicContact CD1-CD1 4.15Å; I238-L241 PolarHBondContact O-N 3.35Å; I238-Y242 HydrophobicContact CD1-CD2 4.05Å; I238-Y242 HydrophobicContact CD1-CE2 3.9Å; I238-Y242 HydrophobicContact CG1-CD2 4.14Å; I238-Y242 HydrophobicContact CG1-CE2 4.04Å; I238-Y242 WeakPolarHBondContact O-CD2 3.39Å; I238-Y242 PolarHBondContact O-N 3.48Å; I238-W245 HydrophobicContact CD1-CH2 4.4Å; I238-W245 HydrophobicContact CD1-CZ3 4.23Å
239	V	98.4	Very high	98.7	Very high	23 Å²	23	43.6 Å²	43.6	14%	0.139	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-45.1	173.3	-176.4	0	0	0	0	110.5	F168 I210 I223 T236 L241 Y242 L243	F168-V239 HydrophobicContact CE1-CB 4.49Å; F168-V239 HydrophobicContact CE1-CG2 4.13Å; F168-V239 HydrophobicContact CZ-CG2 4.14Å; I210-V239 HydrophobicContact CD1-CG1 4.09Å; I210-V239 HydrophobicContact CG1-CG1 4.43Å; I210-V239 HydrophobicContact CG2-CG1 3.69Å; I223-V239 HydrophobicContact CD1-CG2 3.67Å; T236-V239 WeakPolarHBondContact O-CB 3.22Å; T236-V239 PolarHBondContact O-N 2.94Å; V239-L241 VanDerWaalsContact C-N 3.35Å; V239-L241 PolarHBondContact O-N 3.31Å; V239-Y242 PolarHBondContact O-N 3.42Å; V239-L243 WeakPolarHBondContact O-CG 3.4Å; V239-L243 PolarHBondContact O-N 3.36Å
240	E	98.6	Very high	98.7	Very high	107 Å²	107	46.1 Å²	46.1	50%	0.5	24%	0.237	S	C	.	.	H	α-helix	trans	-63.5	-39	175	-70.8	-177.5	-176	0	0	112.5	T236 Q237 L243 K244	T236-E240 WeakPolarHBondContact O-CG 3.49Å; T236-E240 PolarHBondContact O-N 3.08Å; Q237-E240 PolarHBondContact O-N 3.38Å; E240-L243 PolarHBondContact O-N 2.8Å; E240-K244 WeakPolarHBondContact O-CG 3.43Å; E240-K244 PolarHBondContact O-N 3.03Å
241	L	98.8	Very high	98.7	Very high	32 Å²	32	48.2 Å²	48.2	17%	0.168	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-45.6	174	-74.1	176.3	0	0	0	111.3	F188 Q237 I238 V239 L243 K244 W245	F188-L241 HydrophobicContact CD2-CD1 3.95Å; F188-L241 HydrophobicContact CE2-CD1 3.85Å; F188-L241 HydrophobicContact CE2-CD2 3.83Å; Q237-L241 WeakPolarHBondContact O-CG 3.4Å; Q237-L241 PolarHBondContact O-N 2.66Å; I238-L241 HydrophobicContact CD1-CB 4.37Å; I238-L241 HydrophobicContact CD1-CD1 4.15Å; I238-L241 PolarHBondContact O-N 3.35Å; V239-L241 VanDerWaalsContact C-N 3.35Å; V239-L241 PolarHBondContact O-N 3.31Å; L241-L243 VanDerWaalsContact C-N 3.34Å; L241-L243 PolarHBondContact O-N 3.17Å; L241-K244 WeakPolarHBondContact O-CB 3.41Å; L241-K244 PolarHBondContact O-N 2.91Å; L241-K244 VanDerWaalsContact O-N 3.15Å; L241-W245 HydrophobicContact CB-CD2 4.29Å; L241-W245 HydrophobicContact CB-CE3 4.26Å; L241-W245 HydrophobicContact CB-CH2 3.98Å; L241-W245 HydrophobicContact CB-CZ2 3.99Å; L241-W245 HydrophobicContact CB-CZ3 4.12Å; L241-W245 HydrophobicContact CD1-CH2 4.03Å; L241-W245 HydrophobicContact CD1-CZ2 4.09Å; L241-W245 HydrophobicContact CD2-CZ2 4.15Å; L241-W245 HydrophobicContact CG-CH2 4.5Å; L241-W245 HydrophobicContact CG-CZ2 4.31Å; L241-W245 VanDerWaalsContact O-CB 3.31Å; L241-W245 WeakPolarHBondContact O-CB 3.46Å; L241-W245 PolarHBondContact O-N 3.34Å
242	Y	98.8	Very high	98.7	Very high	6 Å²	6	49.9 Å²	49.9	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-41.7	176.2	-91.3	-129.7	0	0	0	112	F168 Y195 L199 V206 I238 V239 K244 W245 A246	F168-Y242 WeakPolarHBondContact CA-OH 2.95Å; F168-Y242 AromaticContact CD1-CD1 3.7Å; F168-Y242 HydrophobicContact CD1-CD1 3.7Å; F168-Y242 AromaticContact CD1-CD2 3.85Å; F168-Y242 HydrophobicContact CD1-CD2 3.85Å; F168-Y242 AromaticContact CD1-CE1 3.85Å; F168-Y242 HydrophobicContact CD1-CE1 3.85Å; F168-Y242 HydrophobicContact CD1-CE2 4.01Å; F168-Y242 AromaticContact CD1-CG 3.71Å; F168-Y242 HydrophobicContact CD1-CG 3.71Å; F168-Y242 AromaticContact CE1-CD1 3.61Å; F168-Y242 HydrophobicContact CE1-CD1 3.61Å; F168-Y242 HydrophobicContact CE1-CD2 4.33Å; F168-Y242 HydrophobicContact CE1-CE1 4.14Å; F168-Y242 AromaticContact CE1-CG 3.72Å; F168-Y242 HydrophobicContact CE1-CG 3.72Å; F168-Y242 VanDerWaalsContact N-CZ 3.3Å; F168-Y242 PolarHBondContact N-OH 3.05Å; Y195-Y242 AromaticContact CD2-CD1 3.95Å; Y195-Y242 HydrophobicContact CD2-CD1 3.95Å; Y195-Y242 HydrophobicContact CD2-CD2 4.04Å; Y195-Y242 AromaticContact CD2-CE1 3.84Å; Y195-Y242 HydrophobicContact CD2-CE1 3.84Å; Y195-Y242 AromaticContact CD2-CE2 3.93Å; Y195-Y242 HydrophobicContact CD2-CE2 3.93Å; Y195-Y242 HydrophobicContact CD2-CG 4.04Å; Y195-Y242 AromaticContact CD2-CZ 3.83Å; Y195-Y242 AromaticContact CE2-CD1 3.77Å; Y195-Y242 HydrophobicContact CE2-CD1 3.77Å; Y195-Y242 HydrophobicContact CE2-CD2 4.43Å; Y195-Y242 HydrophobicContact CE2-CE1 4.04Å; Y195-Y242 AromaticContact CE2-CG 3.99Å; Y195-Y242 HydrophobicContact CE2-CG 3.99Å; L199-Y242 HydrophobicContact CD1-CE1 3.49Å; L199-Y242 VanDerWaalsContact CD1-CE1 3.49Å; L199-Y242 VanDerWaalsContact CD1-OH 3.31Å; L199-Y242 WeakPolarHBondContact CD1-OH 3.33Å; V206-Y242 HydrophobicContact CG1-CD1 4.3Å; I238-Y242 HydrophobicContact CD1-CD2 4.05Å; I238-Y242 HydrophobicContact CD1-CE2 3.9Å; I238-Y242 HydrophobicContact CG1-CD2 4.14Å; I238-Y242 HydrophobicContact CG1-CE2 4.04Å; I238-Y242 WeakPolarHBondContact O-CD2 3.39Å; I238-Y242 PolarHBondContact O-N 3.48Å; V239-Y242 PolarHBondContact O-N 3.42Å; Y242-K244 VanDerWaalsContact C-N 3.34Å; Y242-K244 PolarHBondContact O-N 2.77Å; Y242-W245 AromaticContact CD2-CE3 3.79Å; Y242-W245 HydrophobicContact CD2-CE3 3.79Å; Y242-W245 AromaticContact CD2-CZ3 3.84Å; Y242-W245 HydrophobicContact CD2-CZ3 3.84Å; Y242-W245 HydrophobicContact CE2-CE3 4.08Å; Y242-W245 AromaticContact CE2-CZ3 3.82Å; Y242-W245 HydrophobicContact CE2-CZ3 3.82Å; Y242-W245 PolarHBondContact O-N 2.99Å; Y242-A246 WeakPolarHBondContact O-CB 3.45Å; Y242-A246 PolarHBondContact O-N 2.81Å
243	L	98.6	Very high	98.7	Very high	58 Å²	58	47.4 Å²	47.4	30%	0.304	25%	0.247	S	C	.	.	H	α-helix	trans	-61.6	-40.3	174.6	-72.6	171.8	0	0	0	112.4	T207 I210 V239 E240 L241	T207-L243 HydrophobicContact CG2-CD2 3.95Å; I210-L243 HydrophobicContact CB-CD2 4.18Å; I210-L243 HydrophobicContact CD1-CD2 3.9Å; I210-L243 HydrophobicContact CD1-CG 3.94Å; I210-L243 HydrophobicContact CG2-CD1 4.22Å; I210-L243 HydrophobicContact CG2-CD2 4.05Å; I210-L243 HydrophobicContact CG2-CG 4.28Å; V239-L243 WeakPolarHBondContact O-CG 3.4Å; V239-L243 PolarHBondContact O-N 3.36Å; E240-L243 PolarHBondContact O-N 2.8Å; L241-L243 VanDerWaalsContact C-N 3.34Å; L241-L243 PolarHBondContact O-N 3.17Å
244	K	98.7	Very high	98.7	Very high	120 Å²	120	42.9 Å²	42.9	52%	0.522	22%	0.222	S	C	.	.	H	α-helix	trans	-66.2	-45.8	174.6	-71.2	171.5	-173.3	167.5	0	111.4	E240 L241 Y242 A247	E240-K244 WeakPolarHBondContact O-CG 3.43Å; E240-K244 PolarHBondContact O-N 3.03Å; L241-K244 WeakPolarHBondContact O-CB 3.41Å; L241-K244 PolarHBondContact O-N 2.91Å; L241-K244 VanDerWaalsContact O-N 3.15Å; Y242-K244 VanDerWaalsContact C-N 3.34Å; Y242-K244 PolarHBondContact O-N 2.77Å; K244-A247 PolarHBondContact O-N 3.21Å
245	W	98.8	Very high	98.7	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.011	20%	0.201	C	C	.	.	H	α-helix	trans	-66.6	-36.1	-177.9	-70	-16.6	0	0	0	112.9	F188 C191 Q192 Y195 I238 L241 Y242 A247 Y249 F303	F188-W245 AromaticContact CE2-CZ2 3.85Å; F188-W245 HydrophobicContact CE2-CZ2 3.85Å; F188-W245 HydrophobicContact CZ-CZ2 4.07Å; C191-W245 HydrophobicContact CB-CH2 3.81Å; C191-W245 HydrophobicContact CB-CZ3 4.25Å; Q192-W245 HydrophobicContact CB-CH2 4.07Å; Q192-W245 HydrophobicContact CB-CZ2 3.78Å; Q192-W245 HydrophobicContact CG-CZ2 4.08Å; Y195-W245 HydrophobicContact CD1-CB 3.82Å; Y195-W245 HydrophobicContact CD1-CE3 4.4Å; Y195-W245 HydrophobicContact CD1-CG 4.45Å; Y195-W245 HydrophobicContact CD2-CB 4.24Å; Y195-W245 AromaticContact CD2-CE3 3.68Å; Y195-W245 HydrophobicContact CD2-CE3 3.68Å; Y195-W245 HydrophobicContact CD2-CZ3 4.47Å; Y195-W245 HydrophobicContact CE1-CB 3.69Å; Y195-W245 HydrophobicContact CE2-CB 4.08Å; Y195-W245 HydrophobicContact CE2-CE3 4.48Å; Y195-W245 HydrophobicContact CG-CB 4.12Å; Y195-W245 HydrophobicContact CG-CD2 4.28Å; Y195-W245 AromaticContact CG-CE3 3.64Å; Y195-W245 HydrophobicContact CG-CE3 3.64Å; Y195-W245 HydrophobicContact CG-CZ3 4.42Å; I238-W245 HydrophobicContact CD1-CH2 4.4Å; I238-W245 HydrophobicContact CD1-CZ3 4.23Å; L241-W245 HydrophobicContact CB-CD2 4.29Å; L241-W245 HydrophobicContact CB-CE3 4.26Å; L241-W245 HydrophobicContact CB-CH2 3.98Å; L241-W245 HydrophobicContact CB-CZ2 3.99Å; L241-W245 HydrophobicContact CB-CZ3 4.12Å; L241-W245 HydrophobicContact CD1-CH2 4.03Å; L241-W245 HydrophobicContact CD1-CZ2 4.09Å; L241-W245 HydrophobicContact CD2-CZ2 4.15Å; L241-W245 HydrophobicContact CG-CH2 4.5Å; L241-W245 HydrophobicContact CG-CZ2 4.31Å; L241-W245 VanDerWaalsContact O-CB 3.31Å; L241-W245 WeakPolarHBondContact O-CB 3.46Å; L241-W245 PolarHBondContact O-N 3.34Å; Y242-W245 AromaticContact CD2-CE3 3.79Å; Y242-W245 HydrophobicContact CD2-CE3 3.79Å; Y242-W245 AromaticContact CD2-CZ3 3.84Å; Y242-W245 HydrophobicContact CD2-CZ3 3.84Å; Y242-W245 HydrophobicContact CE2-CE3 4.08Å; Y242-W245 AromaticContact CE2-CZ3 3.82Å; Y242-W245 HydrophobicContact CE2-CZ3 3.82Å; Y242-W245 PolarHBondContact O-N 2.99Å; W245-A247 VanDerWaalsContact C-N 3.28Å; W245-A247 PolarHBondContact O-N 3.33Å; W245-Y249 AromaticContact CD1-CD2 3.94Å; W245-Y249 WeakPolarHBondContact O-CB 3.38Å; W245-F303 HydrophobicContact CB-CE1 4.35Å; W245-F303 HydrophobicContact CB-CZ 3.73Å; W245-F303 AromaticContact CD1-CE1 3.94Å; W245-F303 HydrophobicContact CG-CE1 4.11Å; W245-F303 AromaticContact CG-CZ 3.99Å; W245-F303 HydrophobicContact CG-CZ 3.99Å
246	A	98.5	Very high	98.7	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-68.9	-23.5	178.2	0	0	0	0	0	114.4	Y195 V206 Y242 D248	Y195-A246 WeakPolarHBondContact OH-CA 3.45Å; Y195-A246 WeakPolarHBondContact OH-CB 3.45Å; Y195-A246 PolarHBondContact OH-N 3.38Å; V206-A246 HydrophobicContact CB-CB 3.78Å; V206-A246 HydrophobicContact CG1-CB 3.86Å; V206-A246 HydrophobicContact CG2-CB 4.44Å; Y242-A246 WeakPolarHBondContact O-CB 3.45Å; Y242-A246 PolarHBondContact O-N 2.81Å; A246-D248 PolarHBondContact O-N 3.1Å
247	A	98.7	Very high	98.7	Very high	70 Å²	70	34.9 Å²	34.9	58%	0.579	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	51.8	-175.5	0	0	0	0	0	112.9	K244 W245 Y249	K244-A247 PolarHBondContact O-N 3.21Å; W245-A247 VanDerWaalsContact C-N 3.28Å; W245-A247 PolarHBondContact O-N 3.33Å; A247-Y249 PolarHBondContact O-N 3.35Å
248	D	98.6	Very high	98.7	Very high	44 Å²	44	33.2 Å²	33.2	24%	0.235	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	46.8	-178.4	-63.6	-16.3	0	0	0	112.6	R204 A246 Q250 R336 N337	R204-D248 IonicContact CZ-OD1 2.74Å; R204-D248 IonicContact CZ-OD2 3.83Å; R204-D248 IonicContact NH1-OD1 3.33Å; R204-D248 PolarHBondContact NH1-OD1 3.46Å; R204-D248 IonicContact NH1-OD2 3.75Å; R204-D248 IonicContact NH2-OD1 2.85Å; R204-D248 PolarHBondContact NH2-OD1 3.17Å; R204-D248 IonicContact NH2-OD2 2.71Å; R204-D248 PolarHBondContact NH2-OD2 3.16Å; A246-D248 PolarHBondContact O-N 3.1Å; D248-Q250 PolarHBondContact O-N 3.36Å; D248-R336 HydrophobicContact CB-CB 4.26Å; D248-R336 VanDerWaalsContact CG-CB 3.44Å; D248-R336 VanDerWaalsContact OD1-CB 3.24Å; D248-R336 WeakPolarHBondContact OD1-CB 3.23Å; D248-N337 HydrophobicContact CB-CB 3.97Å
249	Y	98.8	Very high	98.7	Very high	54 Å²	54	33.7 Å²	33.7	21%	0.212	17%	0.171	C	C	.	.			trans	-52.9	138.8	-168.8	-179	-93	0	0	0	113.1	W245 A247 E251 F303 R304 K338	W245-Y249 AromaticContact CD1-CD2 3.94Å; W245-Y249 WeakPolarHBondContact O-CB 3.38Å; A247-Y249 PolarHBondContact O-N 3.35Å; Y249-E251 HydrophobicContact CE1-CG 3.89Å; Y249-E251 WeakPolarHBondContact CE1-OE1 3.42Å; Y249-E251 VanDerWaalsContact OH-CG 3.27Å; Y249-E251 WeakPolarHBondContact OH-CG 3.29Å; Y249-E251 PolarHBondContact OH-OE1 3.32Å; Y249-F303 HydrophobicContact CD1-CD1 4.12Å; Y249-F303 AromaticContact CD1-CE1 3.59Å; Y249-F303 HydrophobicContact CD1-CE1 3.59Å; Y249-F303 HydrophobicContact CD1-CZ 4.09Å; Y249-F303 HydrophobicContact CE1-CE1 4.33Å; Y249-F303 HydrophobicContact CG-CE1 4.15Å; Y249-F303 HydrophobicContact CG-CZ 4.22Å; Y249-R304 HydrophobicContact CE1-CB 4.41Å; Y249-R304 HydrophobicContact CE1-CG 4.16Å; Y249-K338 PolarHBondContact O-NZ 2.75Å
250	Q	98.8	Very high	98.7	Very high	56 Å²	56	33.4 Å²	33.4	26%	0.262	17%	0.169	S	C	.	.			trans	-158.4	149.5	170.9	60.6	-175.7	33.5	0	0	110.6	D248 K306 N337	D248-Q250 PolarHBondContact O-N 3.36Å; Q250-K306 HydrophobicContact CB-CB 4.43Å; Q250-K306 HydrophobicContact CG-CB 4.48Å; Q250-N337 PolarHBondContact OE1-O 2.84Å
251	E	98.7	Very high	98.7	Very high	44 Å²	44	33.3 Å²	33.3	21%	0.206	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	173.1	170.9	-64	163.3	-153.5	0	0	109.3	Y249 R253 R304 K306	Y249-E251 HydrophobicContact CE1-CG 3.89Å; Y249-E251 WeakPolarHBondContact CE1-OE1 3.42Å; Y249-E251 VanDerWaalsContact OH-CG 3.27Å; Y249-E251 WeakPolarHBondContact OH-CG 3.29Å; Y249-E251 PolarHBondContact OH-OE1 3.32Å; E251-R253 HydrophobicContact CB-CB 4.18Å; E251-R253 PolarHBondContact O-N 2.9Å; E251-R253 IonicContact OE2-CZ 3.96Å; E251-R253 IonicContact OE2-NE 3.15Å; E251-R253 IonicContact OE2-NH2 3.52Å; E251-R304 WeakPolarHBondContact CB-O 3.39Å; E251-R304 PolarHBondContact N-O 3.16Å; E251-R304 IonicContact OE1-CZ 2.71Å; E251-R304 IonicContact OE1-NE 2.75Å; E251-R304 PolarHBondContact OE1-NE 3.46Å; E251-R304 IonicContact OE1-NH2 3.94Å; E251-R304 PolarHBondContact OE1-NH2 2.92Å; E251-R304 IonicContact OE2-CZ 3.07Å; E251-R304 IonicContact OE2-NE 2.64Å; E251-R304 PolarHBondContact OE2-NE 3.4Å; E251-R304 IonicContact OE2-NH2 3.75Å; E251-R304 PolarHBondContact OE2-NH2 3.35Å; E251-K306 PolarHBondContact O-N 3.44Å
252	D	98.6	Very high	98.6	Very high	39 Å²	39	34.8 Å²	34.8	21%	0.209	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	70.4	166.8	-154.5	-0.5	0	0	0	110.4	V283 A284 K306 L398	D252-V283 WeakPolarHBondContact O-CA 3.35Å; D252-A284 PolarHBondContact O-N 2.84Å; D252-K306 WeakPolarHBondContact OD1-CE 3.2Å; D252-K306 IonicContact OD1-NZ 3.1Å; D252-K306 PolarHBondContact OD1-NZ 2.99Å; D252-L398 HydrophobicContact CB-CD1 3.81Å
253	R	98.9	Very high	98.6	Very high	29 Å²	29	38.1 Å²	38.1	11%	0.109	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	140.6	-171.6	176.4	175.3	-71.5	-165.6	5.7	110.8	E251 A284 N301 S305 K306	E251-R253 HydrophobicContact CB-CB 4.18Å; E251-R253 PolarHBondContact O-N 2.9Å; E251-R253 IonicContact OE2-CZ 3.96Å; E251-R253 IonicContact OE2-NE 3.15Å; E251-R253 IonicContact OE2-NH2 3.52Å; R253-A284 CarbonylContact C-O 3.58Å; R253-A284 VanDerWaalsContact CA-O 3.26Å; R253-A284 WeakPolarHBondContact CA-O 3.43Å; R253-A284 HydrophobicContact CB-CB 4.23Å; R253-A284 HydrophobicContact CG-CB 4.22Å; R253-A284 WeakPolarHBondContact CG-O 3.37Å; R253-N301 PolarHBondContact NH1-OD1 3.33Å; R253-S305 CarbonylContact O-C 3.56Å; R253-S305 VanDerWaalsContact O-CA 3.23Å; R253-S305 WeakPolarHBondContact O-CA 3.41Å; R253-S305 VanDerWaalsContact O-CB 3.26Å; R253-S305 WeakPolarHBondContact O-CB 3.14Å; R253-K306 WeakPolarHBondContact O-CG 3.46Å; R253-K306 PolarHBondContact O-N 2.96Å
254	I	98.9	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.3	171.9	-67.5	177.1	0	0	0	109.2	I256 I276 V283 A284 V285 K286 K306 G307 L309 I392 W396	I254-I256 HydrophobicContact CG2-CG1 4.25Å; I254-I276 HydrophobicContact CD1-CD1 4.16Å; I254-I276 HydrophobicContact CD1-CG2 4.2Å; I254-I276 HydrophobicContact CG2-CD1 4.12Å; I254-V283 HydrophobicContact CB-CG1 3.98Å; I254-V283 HydrophobicContact CD1-CG1 3.93Å; I254-V283 HydrophobicContact CG1-CG1 3.73Å; I254-A284 PolarHBondContact N-O 2.7Å; I254-V285 WeakPolarHBondContact O-CA 3.28Å; I254-K286 PolarHBondContact O-N 3.48Å; I254-K286 VanDerWaalsContact O-N 3.1Å; I254-K306 HydrophobicContact CG1-CG 4.37Å; I254-G307 WeakPolarHBondContact CA-O 3.5Å; I254-L309 HydrophobicContact CG2-CD1 3.4Å; I254-L309 VanDerWaalsContact CG2-CD1 3.4Å; I254-I392 HydrophobicContact CD1-CG2 4.4Å; I254-W396 HydrophobicContact CD1-CE3 3.72Å; I254-W396 HydrophobicContact CD1-CZ3 4.19Å; I254-W396 HydrophobicContact CG1-CE3 4.17Å; I254-W396 HydrophobicContact CG1-CZ3 4.44Å
255	T	99	Very high	98.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.2	174.5	-57.4	0	0	0	0	110.4	F257 F288 N301 S305 G307 V308 L309	T255-F257 HydrophobicContact CG2-CD1 4.11Å; T255-F288 HydrophobicContact CG2-CD2 3.8Å; T255-F288 HydrophobicContact CG2-CE2 3.85Å; T255-N301 HydrophobicContact CG2-CB 3.94Å; T255-N301 WeakPolarHBondContact OG1-CB 3.43Å; T255-N301 PolarHBondContact OG1-O 2.78Å; T255-S305 PolarHBondContact N-OG 2.99Å; T255-S305 PolarHBondContact OG1-OG 3.39Å; T255-G307 PolarHBondContact N-O 2.94Å; T255-V308 CarbonylContact O-C 3.53Å; T255-V308 WeakPolarHBondContact O-CA 3.36Å; T255-V308 WeakPolarHBondContact O-CB 3.32Å; T255-L309 PolarHBondContact O-N 2.78Å
256	I	99	Very high	98.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.5	175.3	-52.1	-178.5	0	0	0	107.6	I254 A269 I272 A273 I276 V285 K286 I287 F288 L309 F343	I254-I256 HydrophobicContact CG2-CG1 4.25Å; I256-A269 HydrophobicContact CG2-CB 3.97Å; I256-I272 HydrophobicContact CD1-CG2 3.88Å; I256-A273 HydrophobicContact CD1-CB 3.95Å; I256-I276 HydrophobicContact CD1-CD1 4.15Å; I256-V285 HydrophobicContact CD1-CG1 4.04Å; I256-V285 HydrophobicContact CG1-CG1 4.4Å; I256-K286 PolarHBondContact N-O 2.83Å; I256-I287 HydrophobicContact CB-CG1 4.37Å; I256-I287 CarbonylContact O-C 3.6Å; I256-I287 VanDerWaalsContact O-CA 3.24Å; I256-I287 WeakPolarHBondContact O-CA 3.2Å; I256-F288 PolarHBondContact O-N 3.32Å; I256-L309 CarbonylContact C-O 3.32Å; I256-L309 VanDerWaalsContact CA-O 3.31Å; I256-L309 WeakPolarHBondContact CA-O 3.31Å; I256-L309 HydrophobicContact CG1-CB 4.22Å; I256-L309 HydrophobicContact CG1-CD1 4.13Å; I256-L309 HydrophobicContact CG2-CB 4.28Å; I256-F343 HydrophobicContact CG2-CE1 3.92Å; I256-F343 HydrophobicContact CG2-CZ 3.88Å
257	F	98.9	Very high	98.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.9	175.3	59.4	-87.8	0	0	0	112.3	T255 F288 V290 I298 V302 V308 L309 V310 G311 I323 L326 M330	T255-F257 HydrophobicContact CG2-CD1 4.11Å; F257-F288 CarbonylContact C-O 3.53Å; F257-F288 WeakPolarHBondContact CA-O 3.35Å; F257-F288 HydrophobicContact CB-CB 4.13Å; F257-V290 HydrophobicContact CB-CG1 4.05Å; F257-V290 HydrophobicContact CD2-CG1 3.87Å; F257-V290 HydrophobicContact CG-CG1 4.41Å; F257-I298 HydrophobicContact CB-CG2 4.12Å; F257-I298 HydrophobicContact CD1-CG2 3.99Å; F257-I298 HydrophobicContact CD2-CG2 4.44Å; F257-I298 HydrophobicContact CE1-CG2 4.49Å; F257-I298 HydrophobicContact CG-CG2 3.94Å; F257-V302 HydrophobicContact CD1-CG2 4.39Å; F257-V302 HydrophobicContact CE1-CG2 3.75Å; F257-V302 HydrophobicContact CZ-CG2 4.44Å; F257-V308 HydrophobicContact CE1-CB 4.08Å; F257-V308 HydrophobicContact CE1-CG1 4.28Å; F257-L309 PolarHBondContact N-O 2.9Å; F257-V310 HydrophobicContact CD2-CG1 3.91Å; F257-V310 HydrophobicContact CD2-CG2 4.44Å; F257-V310 HydrophobicContact CE1-CG2 3.79Å; F257-V310 HydrophobicContact CE2-CB 4.15Å; F257-V310 HydrophobicContact CE2-CG1 3.45Å; F257-V310 VanDerWaalsContact CE2-CG1 3.45Å; F257-V310 HydrophobicContact CE2-CG2 3.69Å; F257-V310 HydrophobicContact CZ-CB 4.27Å; F257-V310 HydrophobicContact CZ-CG1 4.04Å; F257-V310 HydrophobicContact CZ-CG2 3.32Å; F257-V310 CarbonylContact O-C 3.54Å; F257-V310 WeakPolarHBondContact O-CA 3.49Å; F257-G311 PolarHBondContact O-N 3.14Å; F257-I323 HydrophobicContact CD2-CD1 4.26Å; F257-L326 HydrophobicContact CD2-CD2 3.67Å; F257-L326 HydrophobicContact CE2-CD2 3.53Å; F257-L326 HydrophobicContact CE2-CG 4.35Å; F257-L326 HydrophobicContact CZ-CD2 4.34Å; F257-M330 HydrophobicContact CE2-CE 4.16Å; F257-M330 HydrophobicContact CZ-CE 3.73Å; F257-M330 HydrophobicContact CZ-SD 3.81Å
258	Y	98.9	Very high	98.6	Very high	10 Å²	10	34.8 Å²	34.8	4%	0.039	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	164.8	-173.4	62.1	-94.9	0	0	0	112.8	T260 T265 R266 A269 I287 F288 N289 V290 G311 F343	Y258-T260 HydrophobicContact CD2-CG2 4.33Å; Y258-T260 HydrophobicContact CE2-CG2 4.09Å; Y258-T265 HydrophobicContact CG-CG2 4.41Å; Y258-R266 HydrophobicContact CE2-CB 3.59Å; Y258-R266 HydrophobicContact CE2-CG 4.33Å; Y258-R266 WeakPolarHBondContact OH-CB 3.39Å; Y258-R266 WeakPolarHBondContact OH-CG 3.41Å; Y258-A269 HydrophobicContact CD1-CB 3.41Å; Y258-A269 VanDerWaalsContact CD1-CB 3.41Å; Y258-A269 HydrophobicContact CE1-CB 3.32Å; Y258-A269 HydrophobicContact CG-CB 4.38Å; Y258-I287 HydrophobicContact CD1-CG2 4.38Å; Y258-I287 HydrophobicContact CE1-CG2 3.6Å; Y258-F288 PolarHBondContact N-O 3.13Å; Y258-N289 HydrophobicContact CE2-CB 4.12Å; Y258-N289 CarbonylContact O-C 3.54Å; Y258-N289 WeakPolarHBondContact O-CA 3.38Å; Y258-V290 PolarHBondContact O-N 2.94Å; Y258-G311 WeakPolarHBondContact CA-O 3.26Å; Y258-G311 VanDerWaalsContact CB-O 3.3Å; Y258-G311 WeakPolarHBondContact CB-O 3.35Å; Y258-F343 HydrophobicContact CD1-CZ 4.31Å
259	D	98.7	Very high	98.7	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.053	16%	0.159	C	C	.	.			trans	-119.5	155.4	159.5	-155.3	-14.5	0	0	0	109.2	V290 G311 M320 I323	D259-V290 HydrophobicContact CB-CG2 3.72Å; D259-G311 PolarHBondContact N-O 2.76Å; D259-M320 HydrophobicContact CB-CB 4.15Å; D259-M320 HydrophobicContact CB-CE 3.86Å; D259-M320 HydrophobicContact CB-SD 3.76Å; D259-M320 WeakPolarHBondContact OD1-CE 3.37Å; D259-I323 HydrophobicContact CB-CG1 3.96Å
260	T	98.6	Very high	98.7	Very high	17 Å²	17	32.6 Å²	32.6	10%	0.104	16%	0.162	C	C	.	.			trans	-153.4	139	-177.2	-166.8	0	0	0	0	112.6	Y258 N263 R266	Y258-T260 HydrophobicContact CD2-CG2 4.33Å; Y258-T260 HydrophobicContact CE2-CG2 4.09Å; T260-N263 WeakPolarHBondContact OG1-CA 3.49Å; T260-N263 PolarHBondContact OG1-N 3.47Å; T260-N263 VanDerWaalsContact OG1-N 3.16Å; T260-R266 HydrophobicContact CG2-CB 4.29Å
261	M	97.7	Very high	98.7	Very high	106 Å²	106	30.1 Å²	30.1	52%	0.522	15%	0.151	S	C	.	.	S	Bend	trans	-86.3	-27.8	175.5	-64.1	-177.6	-75.5	0	0	113.2	S313 M315 M320	M261-S313 WeakPolarHBondContact CE-OG 3.38Å; M261-M315 HydrophobicContact CE-CB 3.98Å; M261-M315 HydrophobicContact CE-CG 4.38Å; M261-M315 HydrophobicContact SD-CB 4.2Å; M261-M315 HydrophobicContact SD-CG 4.01Å; M261-M315 HydrophobicContact SD-SD 4.19Å; M261-M320 HydrophobicContact CG-CE 3.75Å; M261-M320 HydrophobicContact CG-SD 4.15Å
262	S	97.2	Very high	98.7	Very high	63 Å²	63	28 Å²	28	44%	0.441	14%	0.141	S	C	.	.	S	Bend	trans	-145.4	25.7	-168.6	57.7	0	0	0	0	113.6	N264	S262-N264 PolarHBondContact O-N 3.12Å; S262-N264 PolarHBondContact O-OD1 3.46Å; S262-N264 PolarHBondContact OG-ND2 3.37Å
263	N	98.4	Very high	98.7	Very high	76 Å²	76	26.8 Å²	26.8	41%	0.406	14%	0.136	S	C	.	.	S	Bend	trans	60.6	-0.1	-178.6	-75.2	2.2	0	0	0	117.2	T260 T265 R266 M267	T260-N263 WeakPolarHBondContact OG1-CA 3.49Å; T260-N263 PolarHBondContact OG1-N 3.47Å; T260-N263 VanDerWaalsContact OG1-N 3.16Å; N263-T265 PolarHBondContact O-N 3.42Å; N263-R266 HydrophobicContact CB-CB 4.29Å; N263-R266 WeakPolarHBondContact O-CA 3.39Å; N263-R266 VanDerWaalsContact O-CB 3.31Å; N263-R266 WeakPolarHBondContact O-CB 3.48Å; N263-R266 PolarHBondContact O-N 3.08Å; N263-R266 VanDerWaalsContact O-N 3.07Å; N263-M267 WeakPolarHBondContact O-CG 3.42Å; N263-M267 PolarHBondContact O-N 2.84Å
264	N	98.6	Very high	98.7	Very high	14 Å²	14	30 Å²	30	8%	0.075	15%	0.153	C	C	.	.	H	α-helix	trans	-59.5	-46.3	178.1	-61.6	-19.2	0	0	0	112.1	S262 R266 M267 M268 S345 W375 R376	S262-N264 PolarHBondContact O-N 3.12Å; S262-N264 PolarHBondContact O-OD1 3.46Å; S262-N264 PolarHBondContact OG-ND2 3.37Å; N264-R266 VanDerWaalsContact C-N 3.29Å; N264-R266 PolarHBondContact O-N 2.8Å; N264-M267 PolarHBondContact O-N 3.43Å; N264-M268 WeakPolarHBondContact O-CG 3.48Å; N264-M268 PolarHBondContact O-N 3.19Å; N264-S345 WeakPolarHBondContact CB-OG 3.2Å; N264-W375 WeakPolarHBondContact CB-O 3.34Å; N264-W375 PolarHBondContact ND2-O 3.17Å; N264-R376 WeakPolarHBondContact OD1-CA 3.42Å; N264-R376 WeakPolarHBondContact OD1-CB 3.44Å
265	T	98.8	Very high	98.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.4	-31	175.9	-52.3	0	0	0	0	111.8	Y258 N263 M268 A269 F343 S345	Y258-T265 HydrophobicContact CG-CG2 4.41Å; N263-T265 PolarHBondContact O-N 3.42Å; T265-M268 PolarHBondContact O-N 3.44Å; T265-A269 PolarHBondContact O-N 3.08Å; T265-F343 HydrophobicContact CG2-CD2 4.01Å; T265-F343 HydrophobicContact CG2-CE2 3.59Å; T265-F343 HydrophobicContact CG2-CZ 4.39Å; T265-F343 WeakPolarHBondContact O-CE2 3.39Å; T265-S345 PolarHBondContact OG1-N 3.04Å
266	R	98.8	Very high	98.6	Very high	113 Å²	113	30 Å²	30	43%	0.426	15%	0.153	S	C	.	.	H	α-helix	trans	-61.4	-48.3	172.5	164.3	170.9	-178.1	-171.2	4	111.3	Y258 T260 N263 N264 M268 A269 D270	Y258-R266 HydrophobicContact CE2-CB 3.59Å; Y258-R266 HydrophobicContact CE2-CG 4.33Å; Y258-R266 WeakPolarHBondContact OH-CB 3.39Å; Y258-R266 WeakPolarHBondContact OH-CG 3.41Å; T260-R266 HydrophobicContact CG2-CB 4.29Å; N263-R266 HydrophobicContact CB-CB 4.29Å; N263-R266 WeakPolarHBondContact O-CA 3.39Å; N263-R266 VanDerWaalsContact O-CB 3.31Å; N263-R266 WeakPolarHBondContact O-CB 3.48Å; N263-R266 PolarHBondContact O-N 3.08Å; N263-R266 VanDerWaalsContact O-N 3.07Å; N264-R266 VanDerWaalsContact C-N 3.29Å; N264-R266 PolarHBondContact O-N 2.8Å; R266-M268 PolarHBondContact O-N 3.28Å; R266-A269 WeakPolarHBondContact O-CB 3.46Å; R266-A269 PolarHBondContact O-N 3.37Å; R266-D270 IonicContact NE-OD2 2.8Å; R266-D270 PolarHBondContact O-N 3.02Å
267	M	98.7	Very high	98.6	Very high	55 Å²	55	32.5 Å²	32.5	27%	0.271	17%	0.173	S	C	.	.	H	α-helix	trans	-57.8	-39.7	178.6	-66.3	169.1	64.4	0	0	111.6	N263 N264 A271 R376 P377 L382	N263-M267 WeakPolarHBondContact O-CG 3.42Å; N263-M267 PolarHBondContact O-N 2.84Å; N264-M267 PolarHBondContact O-N 3.43Å; M267-A271 WeakPolarHBondContact O-CB 3.42Å; M267-A271 PolarHBondContact O-N 3.31Å; M267-A271 VanDerWaalsContact O-N 3.13Å; M267-R376 HydrophobicContact CE-CG 3.88Å; M267-R376 HydrophobicContact SD-CG 3.75Å; M267-P377 HydrophobicContact CB-CG 4.46Å; M267-P377 WeakPolarHBondContact CE-O 3.48Å; M267-L382 HydrophobicContact CB-CD2 4.13Å; M267-L382 HydrophobicContact CE-CD1 4.3Å; M267-L382 HydrophobicContact CE-CD2 4.45Å
268	M	98.9	Very high	98.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-45.5	173.4	-59.7	172.7	70.7	0	0	111.8	N264 T265 R266 D270 A271 I272 F343 L371 A373 P377	N264-M268 WeakPolarHBondContact O-CG 3.48Å; N264-M268 PolarHBondContact O-N 3.19Å; T265-M268 PolarHBondContact O-N 3.44Å; R266-M268 PolarHBondContact O-N 3.28Å; M268-D270 PolarHBondContact O-N 3.24Å; M268-A271 PolarHBondContact O-N 2.9Å; M268-I272 WeakPolarHBondContact O-CB 3.25Å; M268-I272 WeakPolarHBondContact O-CD1 3.43Å; M268-I272 WeakPolarHBondContact O-CG1 3.13Å; M268-I272 PolarHBondContact O-N 2.97Å; M268-F343 HydrophobicContact CB-CD2 3.92Å; M268-F343 HydrophobicContact CB-CE2 4.12Å; M268-F343 HydrophobicContact CE-CB 4.38Å; M268-F343 HydrophobicContact CE-CD2 4.3Å; M268-L371 HydrophobicContact CE-CD2 3.83Å; M268-L371 HydrophobicContact CE-CG 3.81Å; M268-A373 HydrophobicContact CE-CB 3.79Å; M268-A373 HydrophobicContact CG-CB 4.42Å; M268-A373 HydrophobicContact SD-CB 3.74Å; M268-P377 HydrophobicContact CG-CG 3.76Å
269	A	98.8	Very high	98.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.1	-45.2	179.9	0	0	0	0	0	112.2	I256 Y258 T265 R266 I272 A273 F343	I256-A269 HydrophobicContact CG2-CB 3.97Å; Y258-A269 HydrophobicContact CD1-CB 3.41Å; Y258-A269 VanDerWaalsContact CD1-CB 3.41Å; Y258-A269 HydrophobicContact CE1-CB 3.32Å; Y258-A269 HydrophobicContact CG-CB 4.38Å; T265-A269 PolarHBondContact O-N 3.08Å; R266-A269 WeakPolarHBondContact O-CB 3.46Å; R266-A269 PolarHBondContact O-N 3.37Å; A269-I272 PolarHBondContact O-N 3.21Å; A269-A273 PolarHBondContact O-N 2.79Å; A269-F343 HydrophobicContact CB-CE2 3.8Å; A269-F343 HydrophobicContact CB-CZ 3.66Å
270	D	98.7	Very high	98.4	Very high	53 Å²	53	38.3 Å²	38.3	28%	0.283	20%	0.203	S	C	.	.	H	α-helix	trans	-65.5	-41.3	-179.4	-62.8	-15.1	0	0	0	110.6	R266 M268 A273 Q274	R266-D270 IonicContact NE-OD2 2.8Å; R266-D270 PolarHBondContact O-N 3.02Å; M268-D270 PolarHBondContact O-N 3.24Å; D270-A273 PolarHBondContact O-N 2.75Å; D270-Q274 WeakPolarHBondContact O-CG 3.37Å; D270-Q274 PolarHBondContact O-N 3.49Å; D270-Q274 VanDerWaalsContact O-N 3.11Å
271	A	98.8	Very high	98.3	Very high	3 Å²	3	42.7 Å²	42.7	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-66.5	-41.8	175.4	0	0	0	0	0	113.1	M267 M268 A273 Q274 G275 L382 C385 R386	M267-A271 WeakPolarHBondContact O-CB 3.42Å; M267-A271 PolarHBondContact O-N 3.31Å; M267-A271 VanDerWaalsContact O-N 3.13Å; M268-A271 PolarHBondContact O-N 2.9Å; A271-A273 VanDerWaalsContact C-N 3.28Å; A271-A273 PolarHBondContact O-N 3.47Å; A271-Q274 WeakPolarHBondContact O-CB 3.37Å; A271-Q274 PolarHBondContact O-N 2.82Å; A271-G275 PolarHBondContact O-N 3.39Å; A271-G275 VanDerWaalsContact O-N 3.07Å; A271-L382 HydrophobicContact CB-CD2 4.03Å; A271-C385 HydrophobicContact CB-CB 3.58Å; A271-R386 HydrophobicContact CB-CG 4.05Å; A271-R386 WeakPolarHBondContact O-CA 3.39Å; A271-R386 WeakPolarHBondContact O-CG 3.46Å
272	I	98.9	Very high	98.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58	-44.6	173.4	-71.2	164	0	0	0	110.3	I256 M268 A269 Q274 G275 I276 L309 F343 L371 C385 G389	I256-I272 HydrophobicContact CD1-CG2 3.88Å; M268-I272 WeakPolarHBondContact O-CB 3.25Å; M268-I272 WeakPolarHBondContact O-CD1 3.43Å; M268-I272 WeakPolarHBondContact O-CG1 3.13Å; M268-I272 PolarHBondContact O-N 2.97Å; A269-I272 PolarHBondContact O-N 3.21Å; I272-Q274 VanDerWaalsContact C-N 3.33Å; I272-Q274 PolarHBondContact O-N 3.03Å; I272-G275 PolarHBondContact O-N 3.33Å; I272-I276 HydrophobicContact CG2-CD1 3.95Å; I272-I276 WeakPolarHBondContact O-CG1 3.35Å; I272-I276 PolarHBondContact O-N 2.86Å; I272-L309 HydrophobicContact CG2-CD2 3.71Å; I272-F343 HydrophobicContact CD1-CB 4.29Å; I272-F343 HydrophobicContact CD1-CD1 4.11Å; I272-F343 HydrophobicContact CD1-CD2 3.93Å; I272-F343 HydrophobicContact CD1-CE1 4.42Å; I272-F343 HydrophobicContact CD1-CE2 4.26Å; I272-F343 HydrophobicContact CD1-CG 3.86Å; I272-F343 HydrophobicContact CD1-CZ 4.49Å; I272-L371 HydrophobicContact CD1-CD2 3.83Å; I272-L371 HydrophobicContact CG1-CD2 4.05Å; I272-C385 HydrophobicContact CG1-CB 4.39Å; I272-C385 WeakPolarHBondContact CG1-O 3.32Å; I272-G389 WeakPolarHBondContact O-CA 3.32Å
273	A	98.8	Very high	98.4	Very high	13 Å²	13	40.2 Å²	40.2	11%	0.107	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-40.4	179.6	0	0	0	0	0	112.4	I256 A269 D270 A271 I276 A277 V285 I287	I256-A273 HydrophobicContact CD1-CB 3.95Å; A269-A273 PolarHBondContact O-N 2.79Å; D270-A273 PolarHBondContact O-N 2.75Å; A271-A273 VanDerWaalsContact C-N 3.28Å; A271-A273 PolarHBondContact O-N 3.47Å; A273-I276 PolarHBondContact O-N 3.28Å; A273-A277 WeakPolarHBondContact O-CB 3.4Å; A273-A277 PolarHBondContact O-N 2.69Å; A273-V285 HydrophobicContact CB-CG1 3.98Å; A273-I287 HydrophobicContact CB-CD1 3.47Å; A273-I287 VanDerWaalsContact CB-CD1 3.47Å; A273-I287 HydrophobicContact CB-CG1 4.21Å
274	Q	98.6	Very high	98.4	Very high	98 Å²	98	38.5 Å²	38.5	46%	0.458	20%	0.204	S	C	.	.	H	α-helix	trans	-58.1	-48.6	173	-69.4	166.8	1.4	0	0	111	D270 A271 I272 I276 A277 E278 R386	D270-Q274 WeakPolarHBondContact O-CG 3.37Å; D270-Q274 PolarHBondContact O-N 3.49Å; D270-Q274 VanDerWaalsContact O-N 3.11Å; A271-Q274 WeakPolarHBondContact O-CB 3.37Å; A271-Q274 PolarHBondContact O-N 2.82Å; I272-Q274 VanDerWaalsContact C-N 3.33Å; I272-Q274 PolarHBondContact O-N 3.03Å; Q274-I276 VanDerWaalsContact C-N 3.3Å; Q274-I276 PolarHBondContact O-N 3.08Å; Q274-A277 PolarHBondContact O-N 3.4Å; Q274-E278 WeakPolarHBondContact O-CG 3.49Å; Q274-E278 PolarHBondContact O-N 3.31Å; Q274-R386 HydrophobicContact CB-CG 4.34Å
275	G	98.7	Very high	98.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59	-38.4	177.9	0	0	0	0	0	113.7	A271 I272 T279 R386	A271-G275 PolarHBondContact O-N 3.39Å; A271-G275 VanDerWaalsContact O-N 3.07Å; I272-G275 PolarHBondContact O-N 3.33Å; G275-T279 VanDerWaalsContact O-CB 3.27Å; G275-T279 WeakPolarHBondContact O-CB 3.45Å; G275-T279 PolarHBondContact O-N 3.1Å; G275-T279 PolarHBondContact O-OG1 2.67Å; G275-R386 WeakPolarHBondContact CA-O 3.35Å
276	I	98.7	Very high	98.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.1	-51.6	175.2	-65.7	165.3	0	0	0	110.5	I254 I256 I272 A273 Q274 E278 T279 D280 V283 V285 L309 G389 A393	I254-I276 HydrophobicContact CD1-CD1 4.16Å; I254-I276 HydrophobicContact CD1-CG2 4.2Å; I254-I276 HydrophobicContact CG2-CD1 4.12Å; I256-I276 HydrophobicContact CD1-CD1 4.15Å; I272-I276 HydrophobicContact CG2-CD1 3.95Å; I272-I276 WeakPolarHBondContact O-CG1 3.35Å; I272-I276 PolarHBondContact O-N 2.86Å; A273-I276 PolarHBondContact O-N 3.28Å; Q274-I276 VanDerWaalsContact C-N 3.3Å; Q274-I276 PolarHBondContact O-N 3.08Å; I276-E278 VanDerWaalsContact C-N 3.34Å; I276-E278 PolarHBondContact O-N 3.21Å; I276-T279 PolarHBondContact O-N 2.62Å; I276-T279 VanDerWaalsContact O-N 3.16Å; I276-D280 PolarHBondContact O-N 3.4Å; I276-V283 HydrophobicContact CG2-CB 4.13Å; I276-V283 HydrophobicContact CG2-CG1 3.97Å; I276-V285 HydrophobicContact CB-CG2 4.18Å; I276-V285 HydrophobicContact CG2-CG2 3.56Å; I276-L309 HydrophobicContact CD1-CD1 4.16Å; I276-G389 WeakPolarHBondContact CG1-O 3.24Å; I276-A393 HydrophobicContact CB-CB 4.46Å; I276-A393 HydrophobicContact CG1-CB 4.45Å; I276-A393 HydrophobicContact CG2-CB 4.3Å
277	A	97.3	Very high	98.4	Very high	52 Å²	52	42 Å²	42	43%	0.43	23%	0.228	S	C	.	.	H	α-helix	trans	-62.6	-38.7	-173.8	0	0	0	0	0	112.9	A273 Q274 T279	A273-A277 WeakPolarHBondContact O-CB 3.4Å; A273-A277 PolarHBondContact O-N 2.69Å; Q274-A277 PolarHBondContact O-N 3.4Å; A277-T279 VanDerWaalsContact C-N 3.34Å
278	E	97.7	Very high	98.4	Very high	108 Å²	108	40.2 Å²	40.2	51%	0.505	22%	0.218	S	C	.	.	H	α-helix	trans	-75.2	-23.4	178.1	73.6	-172.6	162.6	0	0	113.3	Q274 I276 R390	Q274-E278 WeakPolarHBondContact O-CG 3.49Å; Q274-E278 PolarHBondContact O-N 3.31Å; I276-E278 VanDerWaalsContact C-N 3.34Å; I276-E278 PolarHBondContact O-N 3.21Å; E278-R390 IonicContact OE1-CZ 3.37Å; E278-R390 IonicContact OE1-NE 2.78Å; E278-R390 PolarHBondContact OE1-NE 3.19Å; E278-R390 IonicContact OE1-NH2 3.52Å; E278-R390 PolarHBondContact OE1-NH2 3.11Å
279	T	98	Very high	98.4	Very high	32 Å²	32	41.6 Å²	41.6	20%	0.196	23%	0.226	C	C	.	.	H	α-helix	trans	-92	-42.2	-176.5	-58.7	0	0	0	0	112.6	G275 I276 A277 R390 A393 R394 L401	G275-T279 VanDerWaalsContact O-CB 3.27Å; G275-T279 WeakPolarHBondContact O-CB 3.45Å; G275-T279 PolarHBondContact O-N 3.1Å; G275-T279 PolarHBondContact O-OG1 2.67Å; I276-T279 PolarHBondContact O-N 2.62Å; I276-T279 VanDerWaalsContact O-N 3.16Å; A277-T279 VanDerWaalsContact C-N 3.34Å; T279-R390 HydrophobicContact CG2-CB 4.48Å; T279-R390 WeakPolarHBondContact OG1-CA 3.37Å; T279-R390 VanDerWaalsContact OG1-CB 3.26Å; T279-R390 WeakPolarHBondContact OG1-CB 3.34Å; T279-R390 VanDerWaalsContact OG1-CG 3.23Å; T279-R390 WeakPolarHBondContact OG1-CG 3.44Å; T279-A393 HydrophobicContact CG2-CB 3.86Å; T279-R394 HydrophobicContact CG2-CG 3.97Å; T279-L401 HydrophobicContact CG2-CD1 3.95Å
280	D	97.7	Very high	98.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.231	C	C	.	.			trans	-132.3	89.3	176.3	-166.4	-11.2	0	0	0	111	I276 R282 V283 A393 L401	I276-D280 PolarHBondContact O-N 3.4Å; D280-R282 PolarHBondContact O-N 3.03Å; D280-R282 WeakPolarHBondContact OD1-CB 3.43Å; D280-R282 IonicContact OD1-CZ 3.28Å; D280-R282 PolarHBondContact OD1-N 3.47Å; D280-R282 IonicContact OD1-NE 3.41Å; D280-R282 PolarHBondContact OD1-NE 3.23Å; D280-R282 IonicContact OD1-NH2 3.61Å; D280-R282 PolarHBondContact OD1-NH2 3.26Å; D280-R282 IonicContact OD2-CZ 2.79Å; D280-R282 IonicContact OD2-NE 2.85Å; D280-R282 IonicContact OD2-NH2 3.21Å; D280-R282 PolarHBondContact OD2-NH2 2.78Å; D280-V283 HydrophobicContact CB-CG2 3.79Å; D280-V283 PolarHBondContact O-N 3.46Å; D280-V283 VanDerWaalsContact O-N 3.08Å; D280-A393 HydrophobicContact CB-CB 4.23Å; D280-L401 HydrophobicContact CB-CD2 3.59Å; D280-L401 WeakPolarHBondContact OD2-CD2 3.46Å
281	P	96.6	Very high	98.4	Very high	109 Å²	109	41.4 Å²	41.4	71%	0.708	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-10.8	-178.9	-23.7	34.3	0	0	0	114.8	V283	P281-V283 VanDerWaalsContact C-N 3.3Å
282	R	97.5	Very high	98.3	Very high	106 Å²	106	51.5 Å²	51.5	40%	0.4	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-23.2	176.7	-57.4	169.7	-64.7	-172.4	8.6	111.8	D280 A284 A399 L401	D280-R282 PolarHBondContact O-N 3.03Å; D280-R282 WeakPolarHBondContact OD1-CB 3.43Å; D280-R282 IonicContact OD1-CZ 3.28Å; D280-R282 PolarHBondContact OD1-N 3.47Å; D280-R282 IonicContact OD1-NE 3.41Å; D280-R282 PolarHBondContact OD1-NE 3.23Å; D280-R282 IonicContact OD1-NH2 3.61Å; D280-R282 PolarHBondContact OD1-NH2 3.26Å; D280-R282 IonicContact OD2-CZ 2.79Å; D280-R282 IonicContact OD2-NE 2.85Å; D280-R282 IonicContact OD2-NH2 3.21Å; D280-R282 PolarHBondContact OD2-NH2 2.78Å; R282-A284 PolarHBondContact O-N 3.01Å; R282-A399 PolarHBondContact NH1-O 2.88Å; R282-A399 PolarHBondContact NH2-O 2.74Å; R282-L401 VanDerWaalsContact NH2-CD2 3.32Å
283	V	98.4	Very high	98.3	Very high	11 Å²	11	53.5 Å²	53.5	7%	0.067	28%	0.281	C	S	.	.	S	Bend	trans	-77	117.6	-174	-177.5	0	0	0	0	110.1	D252 I254 I276 D280 P281 V285	D252-V283 WeakPolarHBondContact O-CA 3.35Å; I254-V283 HydrophobicContact CB-CG1 3.98Å; I254-V283 HydrophobicContact CD1-CG1 3.93Å; I254-V283 HydrophobicContact CG1-CG1 3.73Å; I276-V283 HydrophobicContact CG2-CB 4.13Å; I276-V283 HydrophobicContact CG2-CG1 3.97Å; D280-V283 HydrophobicContact CB-CG2 3.79Å; D280-V283 PolarHBondContact O-N 3.46Å; D280-V283 VanDerWaalsContact O-N 3.08Å; P281-V283 VanDerWaalsContact C-N 3.3Å; V283-V285 HydrophobicContact CG1-CG2 4.04Å; V283-V285 PolarHBondContact O-N 3.27Å
284	A	98.7	Very high	98.3	Very high	40 Å²	40	54.4 Å²	54.4	33%	0.331	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	118.6	165.5	0	0	0	0	0	109.5	D252 R253 I254 R282	D252-A284 PolarHBondContact O-N 2.84Å; R253-A284 CarbonylContact C-O 3.58Å; R253-A284 VanDerWaalsContact CA-O 3.26Å; R253-A284 WeakPolarHBondContact CA-O 3.43Å; R253-A284 HydrophobicContact CB-CB 4.23Å; R253-A284 HydrophobicContact CG-CB 4.22Å; R253-A284 WeakPolarHBondContact CG-O 3.37Å; I254-A284 PolarHBondContact N-O 2.7Å; R282-A284 PolarHBondContact O-N 3.01Å
285	V	98.7	Very high	98.3	Very high	40 Å²	40	52 Å²	52	24%	0.242	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131	177.5	-175.7	0	0	0	0	110.1	I254 I256 A273 I276 V283 I287	I254-V285 WeakPolarHBondContact O-CA 3.28Å; I256-V285 HydrophobicContact CD1-CG1 4.04Å; I256-V285 HydrophobicContact CG1-CG1 4.4Å; A273-V285 HydrophobicContact CB-CG1 3.98Å; I276-V285 HydrophobicContact CB-CG2 4.18Å; I276-V285 HydrophobicContact CG2-CG2 3.56Å; V283-V285 HydrophobicContact CG1-CG2 4.04Å; V283-V285 PolarHBondContact O-N 3.27Å; V285-I287 HydrophobicContact CG1-CG1 4.39Å
286	K	98.8	Very high	98.3	Very high	99 Å²	99	52.1 Å²	52.1	43%	0.43	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.6	171.7	-69.3	-67.9	-174.3	174.3	0	110.2	I254 I256 F288	I254-K286 PolarHBondContact O-N 3.48Å; I254-K286 VanDerWaalsContact O-N 3.1Å; I256-K286 PolarHBondContact N-O 2.83Å; K286-F288 HydrophobicContact CB-CD2 4.44Å; K286-F288 HydrophobicContact CB-CE2 3.61Å; K286-F288 HydrophobicContact CB-CZ 4.04Å
287	I	98.8	Very high	98.3	Very high	63 Å²	63	56.2 Å²	56.2	32%	0.323	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.9	-178.1	-50.9	178.6	0	0	0	109.1	I256 Y258 A273 V285	I256-I287 HydrophobicContact CB-CG1 4.37Å; I256-I287 CarbonylContact O-C 3.6Å; I256-I287 VanDerWaalsContact O-CA 3.24Å; I256-I287 WeakPolarHBondContact O-CA 3.2Å; Y258-I287 HydrophobicContact CD1-CG2 4.38Å; Y258-I287 HydrophobicContact CE1-CG2 3.6Å; A273-I287 HydrophobicContact CB-CD1 3.47Å; A273-I287 VanDerWaalsContact CB-CD1 3.47Å; A273-I287 HydrophobicContact CB-CG1 4.21Å; V285-I287 HydrophobicContact CG1-CG1 4.39Å
288	F	98.9	Very high	98.4	Very high	17 Å²	17	53.8 Å²	53.8	8%	0.075	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134	179.1	-59.1	-80.2	0	0	0	112.1	T255 I256 F257 Y258 K286 E297 I298 N301	T255-F288 HydrophobicContact CG2-CD2 3.8Å; T255-F288 HydrophobicContact CG2-CE2 3.85Å; I256-F288 PolarHBondContact O-N 3.32Å; F257-F288 CarbonylContact C-O 3.53Å; F257-F288 WeakPolarHBondContact CA-O 3.35Å; F257-F288 HydrophobicContact CB-CB 4.13Å; Y258-F288 PolarHBondContact N-O 3.13Å; K286-F288 HydrophobicContact CB-CD2 4.44Å; K286-F288 HydrophobicContact CB-CE2 3.61Å; K286-F288 HydrophobicContact CB-CZ 4.04Å; F288-E297 HydrophobicContact CE1-CG 4.29Å; F288-E297 HydrophobicContact CZ-CG 4.32Å; F288-I298 HydrophobicContact CB-CD1 3.95Å; F288-I298 HydrophobicContact CB-CG1 3.66Å; F288-I298 HydrophobicContact CD1-CG1 4.09Å; F288-I298 HydrophobicContact CD2-CG1 3.98Å; F288-I298 HydrophobicContact CG-CD1 4.45Å; F288-I298 HydrophobicContact CG-CG1 3.65Å; F288-N301 HydrophobicContact CE2-CB 4Å; F288-N301 HydrophobicContact CZ-CB 4.49Å; F288-N301 WeakPolarHBondContact CZ-ND2 3.49Å
289	N	98.8	Very high	98.5	Very high	29 Å²	29	48.7 Å²	48.7	16%	0.155	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	115.6	161	-178.7	-40.7	0	0	0	107.9	Y258 A291 R292 S293	Y258-N289 HydrophobicContact CE2-CB 4.12Å; Y258-N289 CarbonylContact O-C 3.54Å; Y258-N289 WeakPolarHBondContact O-CA 3.38Å; N289-A291 PolarHBondContact O-N 2.81Å; N289-A291 VanDerWaalsContact O-N 3.12Å; N289-A291 WeakPolarHBondContact OD1-CB 3.49Å; N289-A291 PolarHBondContact OD1-N 3.13Å; N289-R292 HydrophobicContact CB-CB 4.2Å; N289-R292 HydrophobicContact CB-CG 4.3Å; N289-R292 CarbonylContact O-C 3.53Å; N289-R292 PolarHBondContact O-N 2.94Å; N289-S293 PolarHBondContact N-OG 3.26Å; N289-S293 WeakPolarHBondContact O-CB 3.44Å; N289-S293 PolarHBondContact O-N 2.92Å; N289-S293 VanDerWaalsContact O-N 3.08Å; N289-S293 PolarHBondContact O-OG 3.21Å
290	V	98.7	Very high	98.5	Very high	19 Å²	19	47.8 Å²	47.8	12%	0.115	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.3	-174.2	-55.8	0	0	0	0	113.1	F257 Y258 D259 R292 I298 K322 I323 L326	F257-V290 HydrophobicContact CB-CG1 4.05Å; F257-V290 HydrophobicContact CD2-CG1 3.87Å; F257-V290 HydrophobicContact CG-CG1 4.41Å; Y258-V290 PolarHBondContact O-N 2.94Å; D259-V290 HydrophobicContact CB-CG2 3.72Å; V290-R292 VanDerWaalsContact C-N 3.31Å; V290-I298 HydrophobicContact CB-CD1 4.34Å; V290-I298 HydrophobicContact CG1-CD1 3.98Å; V290-K322 HydrophobicContact CG2-CB 3.68Å; V290-K322 HydrophobicContact CG2-CD 4.42Å; V290-I323 HydrophobicContact CG1-CD1 3.96Å; V290-I323 HydrophobicContact CG2-CD1 3.92Å; V290-I323 HydrophobicContact CG2-CG1 4.35Å; V290-L326 HydrophobicContact CG1-CD2 3.87Å
291	A	98.1	Very high	98.6	Very high	30 Å²	30	48.2 Å²	48.2	25%	0.248	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.7	174.7	0	0	0	0	0	113.4	N289 K322	N289-A291 PolarHBondContact O-N 2.81Å; N289-A291 VanDerWaalsContact O-N 3.12Å; N289-A291 WeakPolarHBondContact OD1-CB 3.49Å; N289-A291 PolarHBondContact OD1-N 3.13Å; A291-K322 HydrophobicContact CB-CD 3.91Å
292	R	98.3	Very high	98.7	Very high	214 Å²	214	43 Å²	43	81%	0.808	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.4	5.8	-170.7	-54.6	-64.3	179	-169.9	2.7	113.9	N289 V290	N289-R292 HydrophobicContact CB-CB 4.2Å; N289-R292 HydrophobicContact CB-CG 4.3Å; N289-R292 CarbonylContact O-C 3.53Å; N289-R292 PolarHBondContact O-N 2.94Å; V290-R292 VanDerWaalsContact C-N 3.31Å
293	S	98.5	Very high	98.7	Very high	42 Å²	42	38.2 Å²	38.2	29%	0.294	19%	0.193	S	C	.	.	S	Bend	trans	-129.3	159.5	-174.2	-43.4	0	0	0	0	110.6	N289 K295	N289-S293 PolarHBondContact N-OG 3.26Å; N289-S293 WeakPolarHBondContact O-CB 3.44Å; N289-S293 PolarHBondContact O-N 2.92Å; N289-S293 VanDerWaalsContact O-N 3.08Å; N289-S293 PolarHBondContact O-OG 3.21Å; S293-K295 PolarHBondContact O-N 3.09Å
294	D	98.6	Very high	98.8	Very high	33 Å²	33	40.4 Å²	40.4	18%	0.176	20%	0.2	C	C	.	.			trans	-67.1	124.7	171.5	179.3	-107.5	0	0	0	110.3	R193 N296 E297 I298	R193-D294 IonicContact CZ-OD1 2.88Å; R193-D294 VanDerWaalsContact CZ-OD1 3.28Å; R193-D294 IonicContact NH1-OD1 2.69Å; R193-D294 PolarHBondContact NH1-OD1 3.16Å; R193-D294 IonicContact NH2-OD1 3.04Å; R193-D294 PolarHBondContact NH2-OD1 2.91Å; R193-D294 IonicContact NH2-OD2 3.61Å; R193-D294 PolarHBondContact NH2-OD2 2.8Å; D294-N296 PolarHBondContact O-N 2.8Å; D294-N296 PolarHBondContact OD1-N 2.84Å; D294-E297 HydrophobicContact CB-CB 3.93Å; D294-E297 PolarHBondContact O-N 3.13Å; D294-E297 WeakPolarHBondContact OD1-CB 3.43Å; D294-E297 PolarHBondContact OD1-N 3.35Å; D294-I298 WeakPolarHBondContact O-CG1 3.36Å; D294-I298 PolarHBondContact O-N 3Å
295	K	98.8	Very high	98.8	Very high	48 Å²	48	38.5 Å²	38.5	21%	0.209	18%	0.184	C	C	.	.	H	α-helix	trans	-61.4	-45	-177.2	-174	-161.5	71.8	157.2	0	111.5	E26 S293 E297 I298 L299 L326 E329	E26-K295 WeakPolarHBondContact O-CE 3.43Å; E26-K295 PolarHBondContact O-NZ 3.44Å; E26-K295 IonicContact OE2-NZ 3.6Å; E26-K295 PolarHBondContact OE2-NZ 2.7Å; S293-K295 PolarHBondContact O-N 3.09Å; K295-E297 VanDerWaalsContact C-N 3.31Å; K295-E297 PolarHBondContact O-N 3.45Å; K295-I298 WeakPolarHBondContact O-CB 3.19Å; K295-I298 PolarHBondContact O-N 2.69Å; K295-I298 VanDerWaalsContact O-N 3.16Å; K295-L299 HydrophobicContact CG-CD1 4.31Å; K295-L299 WeakPolarHBondContact O-CG 3.35Å; K295-L299 PolarHBondContact O-N 2.91Å; K295-L326 HydrophobicContact CD-CD1 4.45Å; K295-L326 HydrophobicContact CG-CD1 3.86Å; K295-E329 WeakPolarHBondContact CD-OE2 3.39Å; K295-E329 WeakPolarHBondContact CE-OE1 3.17Å; K295-E329 WeakPolarHBondContact CE-OE2 3.28Å; K295-E329 IonicContact NZ-OE1 3.66Å; K295-E329 PolarHBondContact NZ-OE1 2.95Å; K295-E329 IonicContact NZ-OE2 2.68Å; K295-E329 PolarHBondContact NZ-OE2 3.4Å
296	N	98.8	Very high	98.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-72.4	-26.2	-176.2	-56.9	110.8	0	0	0	112	E26 Y27 K28 R193 N197 D294 T300	E26-N296 PolarHBondContact O-ND2 2.99Å; E26-N296 PolarHBondContact O-OD1 3.18Å; Y27-N296 WeakPolarHBondContact CA-OD1 3.22Å; K28-N296 PolarHBondContact N-OD1 2.77Å; R193-N296 VanDerWaalsContact NH1-CB 3.34Å; R193-N296 VanDerWaalsContact NH2-CB 3.28Å; N197-N296 PolarHBondContact ND2-O 3.24Å; N197-N296 VanDerWaalsContact OD1-CA 3.29Å; N197-N296 WeakPolarHBondContact OD1-CA 3.33Å; N197-N296 WeakPolarHBondContact OD1-CB 3.32Å; N197-N296 PolarHBondContact OD1-ND2 2.76Å; D294-N296 PolarHBondContact O-N 2.8Å; D294-N296 PolarHBondContact OD1-N 2.84Å; N296-T300 WeakPolarHBondContact O-CB 3.36Å; N296-T300 PolarHBondContact O-N 2.72Å; N296-T300 PolarHBondContact O-OG1 3.12Å
297	E	98.9	Very high	98.8	Very high	86 Å²	86	32.2 Å²	32.2	40%	0.402	15%	0.153	S	C	.	.	H	α-helix	trans	-66.9	-42.6	169.3	-173.8	-174.6	174.4	0	0	110.4	R193 F288 D294 K295 T300 N301	R193-E297 VanDerWaalsContact NH1-N 3.18Å; F288-E297 HydrophobicContact CE1-CG 4.29Å; F288-E297 HydrophobicContact CZ-CG 4.32Å; D294-E297 HydrophobicContact CB-CB 3.93Å; D294-E297 PolarHBondContact O-N 3.13Å; D294-E297 WeakPolarHBondContact OD1-CB 3.43Å; D294-E297 PolarHBondContact OD1-N 3.35Å; K295-E297 VanDerWaalsContact C-N 3.31Å; K295-E297 PolarHBondContact O-N 3.45Å; E297-T300 PolarHBondContact O-N 2.73Å; E297-N301 WeakPolarHBondContact O-CB 3.39Å; E297-N301 PolarHBondContact O-N 2.89Å; E297-N301 PolarHBondContact O-ND2 3.42Å
298	I	98.9	Very high	98.8	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-57.9	-51.4	173.5	-63.5	162	0	0	0	109.6	F257 F288 V290 D294 K295 T300 N301 V302 L326	F257-I298 HydrophobicContact CB-CG2 4.12Å; F257-I298 HydrophobicContact CD1-CG2 3.99Å; F257-I298 HydrophobicContact CD2-CG2 4.44Å; F257-I298 HydrophobicContact CE1-CG2 4.49Å; F257-I298 HydrophobicContact CG-CG2 3.94Å; F288-I298 HydrophobicContact CB-CD1 3.95Å; F288-I298 HydrophobicContact CB-CG1 3.66Å; F288-I298 HydrophobicContact CD1-CG1 4.09Å; F288-I298 HydrophobicContact CD2-CG1 3.98Å; F288-I298 HydrophobicContact CG-CD1 4.45Å; F288-I298 HydrophobicContact CG-CG1 3.65Å; V290-I298 HydrophobicContact CB-CD1 4.34Å; V290-I298 HydrophobicContact CG1-CD1 3.98Å; D294-I298 WeakPolarHBondContact O-CG1 3.36Å; D294-I298 PolarHBondContact O-N 3Å; K295-I298 WeakPolarHBondContact O-CB 3.19Å; K295-I298 PolarHBondContact O-N 2.69Å; K295-I298 VanDerWaalsContact O-N 3.16Å; I298-T300 PolarHBondContact O-N 2.94Å; I298-N301 CarbonylContact O-C 3.45Å; I298-N301 WeakPolarHBondContact O-CA 3.47Å; I298-N301 WeakPolarHBondContact O-CB 3.43Å; I298-N301 PolarHBondContact O-N 2.86Å; I298-N301 VanDerWaalsContact O-N 3.08Å; I298-V302 HydrophobicContact CG2-CG2 4.42Å; I298-V302 WeakPolarHBondContact O-CG2 3.24Å; I298-V302 PolarHBondContact O-N 3.5Å; I298-L326 HydrophobicContact CG2-CD2 4.13Å
299	L	98.9	Very high	98.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.6	-37.4	-179.2	-68.1	171.2	0	0	0	113	N197 K295 N301 V302 F303 L326 E329 M330 L333 F335	N197-L299 WeakPolarHBondContact OD1-CB 3.37Å; N197-L299 WeakPolarHBondContact OD1-CD1 3.3Å; K295-L299 HydrophobicContact CG-CD1 4.31Å; K295-L299 WeakPolarHBondContact O-CG 3.35Å; K295-L299 PolarHBondContact O-N 2.91Å; L299-N301 VanDerWaalsContact C-N 3.31Å; L299-N301 PolarHBondContact O-N 2.7Å; L299-V302 WeakPolarHBondContact O-CB 3.26Å; L299-V302 PolarHBondContact O-N 2.8Å; L299-F303 WeakPolarHBondContact O-CB 3.29Å; L299-F303 PolarHBondContact O-N 3.38Å; L299-L326 HydrophobicContact CD1-CD1 4.31Å; L299-L326 HydrophobicContact CD2-CD1 3.8Å; L299-L326 HydrophobicContact CG-CD1 4.06Å; L299-E329 HydrophobicContact CD1-CG 4.33Å; L299-E329 WeakPolarHBondContact CD1-OE1 3.4Å; L299-M330 HydrophobicContact CD2-CG 3.77Å; L299-L333 HydrophobicContact CD1-CD1 4.01Å; L299-L333 HydrophobicContact CD2-CD1 3.93Å; L299-L333 HydrophobicContact CG-CD1 4.43Å; L299-F335 HydrophobicContact CD2-CE2 4.32Å; L299-F335 HydrophobicContact CD2-CZ 4.49Å
300	T	98.9	Very high	98.8	Very high	13 Å²	13	27 Å²	27	8%	0.08	13%	0.127	C	C	.	.	H	α-helix	trans	-63.4	-39.1	172.6	-53.1	0	0	0	0	111	Q192 A196 N197 N296 E297 I298 F303 R304	Q192-T300 HydrophobicContact CG-CG2 4.34Å; A196-T300 HydrophobicContact CB-CG2 4.32Å; N197-T300 PolarHBondContact ND2-OG1 2.9Å; N296-T300 WeakPolarHBondContact O-CB 3.36Å; N296-T300 PolarHBondContact O-N 2.72Å; N296-T300 PolarHBondContact O-OG1 3.12Å; E297-T300 PolarHBondContact O-N 2.73Å; I298-T300 PolarHBondContact O-N 2.94Å; T300-F303 WeakPolarHBondContact O-CB 3.42Å; T300-F303 PolarHBondContact O-N 3.22Å; T300-R304 VanDerWaalsContact O-CG 3.27Å; T300-R304 WeakPolarHBondContact O-CG 3.45Å; T300-R304 PolarHBondContact O-N 2.91Å; T300-R304 VanDerWaalsContact O-N 3.11Å
301	N	98.9	Very high	98.8	Very high	10 Å²	10	26.1 Å²	26.1	5%	0.053	12%	0.122	C	C	.	.	H	α-helix	trans	-68.9	-38	174.5	-82.2	-78.3	0	0	0	112	R253 T255 F288 E297 I298 L299 R304 S305	R253-N301 PolarHBondContact NH1-OD1 3.33Å; T255-N301 HydrophobicContact CG2-CB 3.94Å; T255-N301 WeakPolarHBondContact OG1-CB 3.43Å; T255-N301 PolarHBondContact OG1-O 2.78Å; F288-N301 HydrophobicContact CE2-CB 4Å; F288-N301 HydrophobicContact CZ-CB 4.49Å; F288-N301 WeakPolarHBondContact CZ-ND2 3.49Å; E297-N301 WeakPolarHBondContact O-CB 3.39Å; E297-N301 PolarHBondContact O-N 2.89Å; E297-N301 PolarHBondContact O-ND2 3.42Å; I298-N301 CarbonylContact O-C 3.45Å; I298-N301 WeakPolarHBondContact O-CA 3.47Å; I298-N301 WeakPolarHBondContact O-CB 3.43Å; I298-N301 PolarHBondContact O-N 2.86Å; I298-N301 VanDerWaalsContact O-N 3.08Å; L299-N301 VanDerWaalsContact C-N 3.31Å; L299-N301 PolarHBondContact O-N 2.7Å; N301-R304 PolarHBondContact O-N 2.99Å; N301-S305 WeakPolarHBondContact O-CB 3.43Å; N301-S305 PolarHBondContact O-N 2.65Å; N301-S305 PolarHBondContact O-OG 3.23Å
302	V	98.9	Very high	98.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.8	-47.6	171.7	173.5	0	0	0	0	110.6	F257 I298 L299 R304 S305 V308 M330 F335 K338 F365	F257-V302 HydrophobicContact CD1-CG2 4.39Å; F257-V302 HydrophobicContact CE1-CG2 3.75Å; F257-V302 HydrophobicContact CZ-CG2 4.44Å; I298-V302 HydrophobicContact CG2-CG2 4.42Å; I298-V302 WeakPolarHBondContact O-CG2 3.24Å; I298-V302 PolarHBondContact O-N 3.5Å; L299-V302 WeakPolarHBondContact O-CB 3.26Å; L299-V302 PolarHBondContact O-N 2.8Å; V302-R304 PolarHBondContact O-N 3.38Å; V302-S305 PolarHBondContact O-N 2.79Å; V302-V308 HydrophobicContact CB-CG1 4.34Å; V302-V308 HydrophobicContact CG1-CG1 3.99Å; V302-V308 HydrophobicContact CG2-CG1 3.94Å; V302-M330 HydrophobicContact CG1-SD 4.42Å; V302-M330 HydrophobicContact CG2-SD 4.5Å; V302-F335 HydrophobicContact CB-CE2 4.4Å; V302-F335 HydrophobicContact CB-CZ 4.22Å; V302-F335 HydrophobicContact CG1-CD1 4.22Å; V302-F335 HydrophobicContact CG1-CD2 3.8Å; V302-F335 HydrophobicContact CG1-CE1 4.09Å; V302-F335 HydrophobicContact CG1-CE2 3.65Å; V302-F335 HydrophobicContact CG1-CG 4.09Å; V302-F335 HydrophobicContact CG1-CZ 3.8Å; V302-K338 HydrophobicContact CG1-CD 4.41Å; V302-K338 WeakPolarHBondContact O-CD 3.23Å; V302-K338 WeakPolarHBondContact O-CE 3.43Å; V302-K338 PolarHBondContact O-NZ 3.28Å; V302-F365 HydrophobicContact CG1-CZ 4.25Å
303	F	98.9	Very high	98.8	Very high	5 Å²	5	14.9 Å²	14.9	2%	0.022	7%	0.074	C	C	.	.	H	α-helix	trans	-52.8	-43.9	175.7	176.3	-100.5	0	0	0	111.8	Y195 A196 T200 W245 Y249 L299 T300 S305 F335 K338	Y195-F303 HydrophobicContact CD1-CE1 4.48Å; Y195-F303 AromaticContact CD1-CE2 3.86Å; Y195-F303 HydrophobicContact CD1-CE2 3.86Å; Y195-F303 AromaticContact CD1-CZ 3.72Å; Y195-F303 HydrophobicContact CD1-CZ 3.72Å; Y195-F303 AromaticContact CE1-CE2 3.87Å; Y195-F303 HydrophobicContact CE1-CE2 3.87Å; Y195-F303 AromaticContact CE1-CZ 3.92Å; Y195-F303 HydrophobicContact CE1-CZ 3.92Å; A196-F303 HydrophobicContact CB-CB 3.56Å; A196-F303 HydrophobicContact CB-CD1 3.91Å; A196-F303 HydrophobicContact CB-CD2 4.19Å; A196-F303 HydrophobicContact CB-CG 3.61Å; T200-F303 HydrophobicContact CG2-CD2 4.33Å; T200-F303 WeakPolarHBondContact OG1-CD2 3.46Å; W245-F303 HydrophobicContact CB-CE1 4.35Å; W245-F303 HydrophobicContact CB-CZ 3.73Å; W245-F303 AromaticContact CD1-CE1 3.94Å; W245-F303 HydrophobicContact CG-CE1 4.11Å; W245-F303 AromaticContact CG-CZ 3.99Å; W245-F303 HydrophobicContact CG-CZ 3.99Å; Y249-F303 HydrophobicContact CD1-CD1 4.12Å; Y249-F303 AromaticContact CD1-CE1 3.59Å; Y249-F303 HydrophobicContact CD1-CE1 3.59Å; Y249-F303 HydrophobicContact CD1-CZ 4.09Å; Y249-F303 HydrophobicContact CE1-CE1 4.33Å; Y249-F303 HydrophobicContact CG-CE1 4.15Å; Y249-F303 HydrophobicContact CG-CZ 4.22Å; L299-F303 WeakPolarHBondContact O-CB 3.29Å; L299-F303 PolarHBondContact O-N 3.38Å; T300-F303 WeakPolarHBondContact O-CB 3.42Å; T300-F303 PolarHBondContact O-N 3.22Å; F303-S305 PolarHBondContact O-N 2.66Å; F303-F335 HydrophobicContact CB-CE1 3.85Å; F303-F335 HydrophobicContact CD2-CE1 4.22Å; F303-K338 WeakPolarHBondContact O-CE 3.48Å; F303-K338 PolarHBondContact O-NZ 2.85Å
304	R	98.9	Very high	98.8	Very high	58 Å²	58	13.7 Å²	13.7	22%	0.219	7%	0.065	C	C	.	.	H	α-helix	trans	-78.5	-11.7	178.9	-62.5	170.3	69.7	168.1	-0.6	114.7	Y249 E251 T300 N301 V302	Y249-R304 HydrophobicContact CE1-CB 4.41Å; Y249-R304 HydrophobicContact CE1-CG 4.16Å; E251-R304 WeakPolarHBondContact CB-O 3.39Å; E251-R304 PolarHBondContact N-O 3.16Å; E251-R304 IonicContact OE1-CZ 2.71Å; E251-R304 IonicContact OE1-NE 2.75Å; E251-R304 PolarHBondContact OE1-NE 3.46Å; E251-R304 IonicContact OE1-NH2 3.94Å; E251-R304 PolarHBondContact OE1-NH2 2.92Å; E251-R304 IonicContact OE2-CZ 3.07Å; E251-R304 IonicContact OE2-NE 2.64Å; E251-R304 PolarHBondContact OE2-NE 3.4Å; E251-R304 IonicContact OE2-NH2 3.75Å; E251-R304 PolarHBondContact OE2-NH2 3.35Å; T300-R304 VanDerWaalsContact O-CG 3.27Å; T300-R304 WeakPolarHBondContact O-CG 3.45Å; T300-R304 PolarHBondContact O-N 2.91Å; T300-R304 VanDerWaalsContact O-N 3.11Å; N301-R304 PolarHBondContact O-N 2.99Å; V302-R304 PolarHBondContact O-N 3.38Å
305	S	98.9	Very high	98.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	146.3	-172.3	-63.1	0	0	0	0	113	R253 T255 N301 V302 F303 G307 K338	R253-S305 CarbonylContact O-C 3.56Å; R253-S305 VanDerWaalsContact O-CA 3.23Å; R253-S305 WeakPolarHBondContact O-CA 3.41Å; R253-S305 VanDerWaalsContact O-CB 3.26Å; R253-S305 WeakPolarHBondContact O-CB 3.14Å; T255-S305 PolarHBondContact N-OG 2.99Å; T255-S305 PolarHBondContact OG1-OG 3.39Å; N301-S305 WeakPolarHBondContact O-CB 3.43Å; N301-S305 PolarHBondContact O-N 2.65Å; N301-S305 PolarHBondContact O-OG 3.23Å; V302-S305 PolarHBondContact O-N 2.79Å; F303-S305 PolarHBondContact O-N 2.66Å; S305-G307 VanDerWaalsContact C-N 3.28Å; S305-G307 WeakPolarHBondContact CB-O 3.21Å; S305-K338 WeakPolarHBondContact O-CD 3.04Å; S305-K338 PolarHBondContact O-NZ 3.49Å
306	K	98.8	Very high	98.7	Very high	6 Å²	6	19 Å²	19	3%	0.026	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-23	167.2	68.6	-177.3	178.1	-179.4	0	112.7	Q250 E251 D252 R253 I254 R339 W396 L398	Q250-K306 HydrophobicContact CB-CB 4.43Å; Q250-K306 HydrophobicContact CG-CB 4.48Å; E251-K306 PolarHBondContact O-N 3.44Å; D252-K306 WeakPolarHBondContact OD1-CE 3.2Å; D252-K306 IonicContact OD1-NZ 3.1Å; D252-K306 PolarHBondContact OD1-NZ 2.99Å; R253-K306 WeakPolarHBondContact O-CG 3.46Å; R253-K306 PolarHBondContact O-N 2.96Å; I254-K306 HydrophobicContact CG1-CG 4.37Å; K306-R339 PolarHBondContact O-N 3.34Å; K306-R339 VanDerWaalsContact O-N 3.15Å; K306-W396 WeakPolarHBondContact CD-O 3.45Å; K306-W396 VanDerWaalsContact CE-O 3.22Å; K306-W396 WeakPolarHBondContact CE-O 3.46Å; K306-W396 PolarHBondContact NZ-O 3.32Å; K306-L398 HydrophobicContact CB-CD2 4.5Å; K306-L398 HydrophobicContact CD-CD1 4.42Å; K306-L398 HydrophobicContact CD-CD2 3.85Å; K306-L398 HydrophobicContact CD-CG 3.95Å
307	G	98.8	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	167.8	176	0	0	0	0	0	113.3	I254 T255 S305 R339	I254-G307 WeakPolarHBondContact CA-O 3.5Å; T255-G307 PolarHBondContact N-O 2.94Å; S305-G307 VanDerWaalsContact C-N 3.28Å; S305-G307 WeakPolarHBondContact CB-O 3.21Å; G307-R339 CarbonylContact C-O 3.51Å; G307-R339 WeakPolarHBondContact CA-O 3.25Å
308	V	99	Very high	98.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.5	-174.3	-60.5	0	0	0	0	112.2	T255 F257 V302 V310 R339 A340 S341 F365 W396	T255-V308 CarbonylContact O-C 3.53Å; T255-V308 WeakPolarHBondContact O-CA 3.36Å; T255-V308 WeakPolarHBondContact O-CB 3.32Å; F257-V308 HydrophobicContact CE1-CB 4.08Å; F257-V308 HydrophobicContact CE1-CG1 4.28Å; V302-V308 HydrophobicContact CB-CG1 4.34Å; V302-V308 HydrophobicContact CG1-CG1 3.99Å; V302-V308 HydrophobicContact CG2-CG1 3.94Å; V308-V310 HydrophobicContact CG2-CG2 4.13Å; V308-R339 PolarHBondContact N-O 3.15Å; V308-A340 HydrophobicContact CG2-CB 3.81Å; V308-A340 VanDerWaalsContact O-CA 3.22Å; V308-A340 WeakPolarHBondContact O-CA 3.22Å; V308-S341 PolarHBondContact O-N 3.39Å; V308-F365 HydrophobicContact CG1-CE1 4.4Å; V308-F365 HydrophobicContact CG2-CD1 3.94Å; V308-F365 HydrophobicContact CG2-CE1 3.57Å; V308-F365 HydrophobicContact CG2-CZ 4.13Å; V308-W396 WeakPolarHBondContact O-CH2 3.43Å
309	L	99	Very high	98.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.9	167.8	-63.6	93.8	0	0	0	109.4	I254 T255 I256 F257 I272 I276 S341 F343 I392 W396	I254-L309 HydrophobicContact CG2-CD1 3.4Å; I254-L309 VanDerWaalsContact CG2-CD1 3.4Å; T255-L309 PolarHBondContact O-N 2.78Å; I256-L309 CarbonylContact C-O 3.32Å; I256-L309 VanDerWaalsContact CA-O 3.31Å; I256-L309 WeakPolarHBondContact CA-O 3.31Å; I256-L309 HydrophobicContact CG1-CB 4.22Å; I256-L309 HydrophobicContact CG1-CD1 4.13Å; I256-L309 HydrophobicContact CG2-CB 4.28Å; F257-L309 PolarHBondContact N-O 2.9Å; I272-L309 HydrophobicContact CG2-CD2 3.71Å; I276-L309 HydrophobicContact CD1-CD1 4.16Å; L309-S341 VanDerWaalsContact CA-O 3.27Å; L309-S341 WeakPolarHBondContact CA-O 3.42Å; L309-F343 HydrophobicContact CB-CD1 4.11Å; L309-F343 HydrophobicContact CB-CE1 3.96Å; L309-I392 HydrophobicContact CD1-CG2 4.27Å; L309-I392 HydrophobicContact CD2-CG1 4.24Å; L309-I392 HydrophobicContact CD2-CG2 4.43Å; L309-W396 HydrophobicContact CD1-CH2 4.19Å; L309-W396 HydrophobicContact CD1-CZ3 3.94Å; L309-W396 HydrophobicContact CG-CH2 4.35Å
310	V	99	Very high	98.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.1	-172.6	-168.4	0	0	0	0	110.5	F257 V308 I323 S341 A342 F343 L356 L360	F257-V310 HydrophobicContact CD2-CG1 3.91Å; F257-V310 HydrophobicContact CD2-CG2 4.44Å; F257-V310 HydrophobicContact CE1-CG2 3.79Å; F257-V310 HydrophobicContact CE2-CB 4.15Å; F257-V310 HydrophobicContact CE2-CG1 3.45Å; F257-V310 VanDerWaalsContact CE2-CG1 3.45Å; F257-V310 HydrophobicContact CE2-CG2 3.69Å; F257-V310 HydrophobicContact CZ-CB 4.27Å; F257-V310 HydrophobicContact CZ-CG1 4.04Å; F257-V310 HydrophobicContact CZ-CG2 3.32Å; F257-V310 CarbonylContact O-C 3.54Å; F257-V310 WeakPolarHBondContact O-CA 3.49Å; V308-V310 HydrophobicContact CG2-CG2 4.13Å; V310-I323 HydrophobicContact CG1-CD1 4.08Å; V310-I323 HydrophobicContact CG1-CG2 3.97Å; V310-S341 PolarHBondContact N-O 2.98Å; V310-A342 WeakPolarHBondContact O-CA 3.43Å; V310-F343 VanDerWaalsContact C-CE1 3.44Å; V310-F343 WeakPolarHBondContact O-CD1 3.34Å; V310-F343 PolarHBondContact O-N 2.94Å; V310-L356 HydrophobicContact CB-CD1 4.5Å; V310-L356 HydrophobicContact CB-CD2 3.98Å; V310-L356 HydrophobicContact CG1-CD1 4.06Å; V310-L356 HydrophobicContact CG1-CD2 3.82Å; V310-L356 HydrophobicContact CG1-CG 4.47Å; V310-L356 VanDerWaalsContact O-CD2 3.3Å; V310-L356 WeakPolarHBondContact O-CD2 3.45Å; V310-L360 HydrophobicContact CB-CD1 3.99Å; V310-L360 HydrophobicContact CG2-CD1 3.86Å; V310-L360 HydrophobicContact CG2-CD2 4.01Å
311	G	98.9	Very high	98.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131.1	-172.9	0	0	0	0	0	113.4	F257 Y258 D259 F343	F257-G311 PolarHBondContact O-N 3.14Å; Y258-G311 WeakPolarHBondContact CA-O 3.26Å; Y258-G311 VanDerWaalsContact CB-O 3.3Å; Y258-G311 WeakPolarHBondContact CB-O 3.35Å; D259-G311 PolarHBondContact N-O 2.76Å; G311-F343 CarbonylContact C-O 3.58Å; G311-F343 VanDerWaalsContact CA-CE1 3.44Å; G311-F343 VanDerWaalsContact CA-CZ 3.47Å; G311-F343 VanDerWaalsContact CA-O 3.26Å; G311-F343 WeakPolarHBondContact CA-O 3.47Å; G311-F343 VanDerWaalsContact N-CE1 3.28Å
312	T	98.9	Very high	98.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.			trans	-149.5	137.5	171.9	-164.5	0	0	0	0	111.9	M319 M320 F343 G344 A352 L356	T312-M319 HydrophobicContact CG2-CB 3.79Å; T312-M320 PolarHBondContact OG1-N 3.24Å; T312-F343 PolarHBondContact N-O 2.92Å; T312-G344 WeakPolarHBondContact O-CA 3.39Å; T312-A352 HydrophobicContact CG2-CB 4.11Å; T312-L356 HydrophobicContact CG2-CB 4.22Å; T312-L356 HydrophobicContact CG2-CD2 3.66Å
313	S	98.6	Very high	98.3	Very high	8 Å²	8	32.1 Å²	32.1	6%	0.056	17%	0.168	C	C	.	.			trans	-82.6	154.2	168	52.9	0	0	0	0	111.9	M261 M315 M320 S345	M261-S313 WeakPolarHBondContact CE-OG 3.38Å; S313-M315 PolarHBondContact O-N 2.71Å; S313-M320 PolarHBondContact OG-SD 2.76Å; S313-S345 WeakPolarHBondContact CA-O 3.41Å; S313-S345 WeakPolarHBondContact CB-O 3.48Å
314	T	98.5	Very high	98.3	Very high	18 Å²	18	33 Å²	33	11%	0.11	18%	0.176	C	C	.	.			trans	-68.5	118.9	168.9	-65.8	0	0	0	0	110.7	S345 G350 A352	T314-S345 PolarHBondContact N-O 3.16Å; T314-G350 WeakPolarHBondContact CG2-O 3.45Å; T314-G350 VanDerWaalsContact OG1-CA 3.29Å; T314-G350 WeakPolarHBondContact OG1-CA 3.39Å; T314-G350 PolarHBondContact OG1-O 3.14Å; T314-A352 WeakPolarHBondContact OG1-CB 3.41Å; T314-A352 PolarHBondContact OG1-N 3.04Å
315	M	97.5	Very high	98.3	Very high	71 Å²	71	32.1 Å²	32.1	35%	0.35	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-120.5	116	172.1	-178.5	-177.7	178	0	0	108.4	M261 S313 N317 V318 M320	M261-M315 HydrophobicContact CE-CB 3.98Å; M261-M315 HydrophobicContact CE-CG 4.38Å; M261-M315 HydrophobicContact SD-CB 4.2Å; M261-M315 HydrophobicContact SD-CG 4.01Å; M261-M315 HydrophobicContact SD-SD 4.19Å; S313-M315 PolarHBondContact O-N 2.71Å; M315-N317 VanDerWaalsContact C-N 3.29Å; M315-N317 PolarHBondContact O-N 2.67Å; M315-V318 PolarHBondContact N-O 2.63Å; M315-V318 CarbonylContact O-C 3.21Å; M315-V318 WeakPolarHBondContact O-CG2 3.22Å; M315-V318 PolarHBondContact O-N 3.28Å; M315-M320 HydrophobicContact CB-CG 4.4Å
316	N	97.1	Very high	98.3	Very high	122 Å²	122	32.6 Å²	32.6	65%	0.652	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	43.4	179.2	-57	-31.2	0	0	0	114	V318	N316-V318 PolarHBondContact O-N 3.35Å
317	N	94.6	Very high	98.3	Very high	105 Å²	105	32.3 Å²	32.3	56%	0.561	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	10.7	-177.7	-45.2	-69.5	0	0	0	115.5	M315	M315-N317 VanDerWaalsContact C-N 3.29Å; M315-N317 PolarHBondContact O-N 2.67Å
318	V	96.8	Very high	98.3	Very high	67 Å²	67	38.4 Å²	38.4	41%	0.406	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-126.6	173.6	174.5	-63.5	0	0	0	0	110.8	M315 N316	M315-V318 PolarHBondContact N-O 2.63Å; M315-V318 CarbonylContact O-C 3.21Å; M315-V318 WeakPolarHBondContact O-CG2 3.22Å; M315-V318 PolarHBondContact O-N 3.28Å; N316-V318 PolarHBondContact O-N 3.35Å
319	M	98.2	Very high	98.3	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.039	23%	0.225	C	C	.	.			trans	-75.4	159.7	171.3	68.1	-175.1	70.1	0	0	111.1	T312 I323 A324 A352 R355 L356	T312-M319 HydrophobicContact CG2-CB 3.79Å; M319-I323 HydrophobicContact SD-CG2 4.3Å; M319-A324 HydrophobicContact CG-CB 3.88Å; M319-A324 HydrophobicContact SD-CB 3.81Å; M319-A352 HydrophobicContact CB-CB 4.25Å; M319-R355 HydrophobicContact CE-CB 4.09Å; M319-R355 HydrophobicContact CE-CG 3.72Å; M319-L356 HydrophobicContact CE-CB 4.02Å; M319-L356 HydrophobicContact SD-CD1 4.44Å
320	M	98.7	Very high	98.3	Very high	13 Å²	13	40.6 Å²	40.6	6%	0.064	23%	0.225	C	C	.	.			trans	-62.2	142.6	175.6	-67	-175.6	71.6	0	0	111.5	D259 M261 T312 S313 M315 K322 I323 A324	D259-M320 HydrophobicContact CB-CB 4.15Å; D259-M320 HydrophobicContact CB-CE 3.86Å; D259-M320 HydrophobicContact CB-SD 3.76Å; D259-M320 WeakPolarHBondContact OD1-CE 3.37Å; M261-M320 HydrophobicContact CG-CE 3.75Å; M261-M320 HydrophobicContact CG-SD 4.15Å; T312-M320 PolarHBondContact OG1-N 3.24Å; S313-M320 PolarHBondContact OG-SD 2.76Å; M315-M320 HydrophobicContact CB-CG 4.4Å; M320-K322 PolarHBondContact O-N 3.48Å; M320-I323 PolarHBondContact O-N 3.08Å; M320-A324 PolarHBondContact O-N 3.01Å; M320-A324 VanDerWaalsContact O-N 3.11Å
321	P	98.7	Very high	98.3	Very high	85 Å²	85	43.2 Å²	43.2	55%	0.552	24%	0.242	S	C	*	.	H	α-helix	trans	-64.2	-37.1	-166.4	23	-34.1	0	0	0	113.9	I323 A324 G325	P321-I323 VanDerWaalsContact C-N 3.32Å; P321-I323 PolarHBondContact O-N 3.21Å; P321-A324 WeakPolarHBondContact O-CB 3.25Å; P321-A324 PolarHBondContact O-N 3.12Å; P321-A324 VanDerWaalsContact O-N 3.17Å; P321-G325 PolarHBondContact O-N 3.34Å
322	K	98.6	Very high	98.2	Very high	108 Å²	108	45.6 Å²	45.6	47%	0.47	27%	0.266	S	S	.	.	H	α-helix	trans	-67	-33.8	178.9	-64.6	-164.8	-173.7	74.4	0	112.8	V290 A291 M320 L326	V290-K322 HydrophobicContact CG2-CB 3.68Å; V290-K322 HydrophobicContact CG2-CD 4.42Å; A291-K322 HydrophobicContact CB-CD 3.91Å; M320-K322 PolarHBondContact O-N 3.48Å; K322-L326 WeakPolarHBondContact O-CB 3.18Å; K322-L326 PolarHBondContact O-N 2.85Å
323	I	98.9	Very high	98.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.3	-41.8	172.3	-64.6	-66.5	0	0	0	110.1	F257 D259 V290 V310 M319 M320 P321 G325 L326 V327 L356	F257-I323 HydrophobicContact CD2-CD1 4.26Å; D259-I323 HydrophobicContact CB-CG1 3.96Å; V290-I323 HydrophobicContact CG1-CD1 3.96Å; V290-I323 HydrophobicContact CG2-CD1 3.92Å; V290-I323 HydrophobicContact CG2-CG1 4.35Å; V310-I323 HydrophobicContact CG1-CD1 4.08Å; V310-I323 HydrophobicContact CG1-CG2 3.97Å; M319-I323 HydrophobicContact SD-CG2 4.3Å; M320-I323 PolarHBondContact O-N 3.08Å; P321-I323 VanDerWaalsContact C-N 3.32Å; P321-I323 PolarHBondContact O-N 3.21Å; I323-G325 PolarHBondContact O-N 3.25Å; I323-L326 PolarHBondContact O-N 3.27Å; I323-V327 HydrophobicContact CG2-CG2 4.29Å; I323-V327 WeakPolarHBondContact O-CB 3.31Å; I323-V327 WeakPolarHBondContact O-CG2 3.41Å; I323-V327 PolarHBondContact O-N 3.34Å; I323-L356 HydrophobicContact CG2-CD1 3.78Å; I323-L356 HydrophobicContact CG2-CD2 4.22Å
324	A	98.7	Very high	98.2	Very high	23 Å²	23	52.1 Å²	52.1	19%	0.19	29%	0.291	C	S	.	.	H	α-helix	trans	-59.5	-45.7	176	0	0	0	0	0	112.1	M319 M320 P321 V327 E328	M319-A324 HydrophobicContact CG-CB 3.88Å; M319-A324 HydrophobicContact SD-CB 3.81Å; M320-A324 PolarHBondContact O-N 3.01Å; M320-A324 VanDerWaalsContact O-N 3.11Å; P321-A324 WeakPolarHBondContact O-CB 3.25Å; P321-A324 PolarHBondContact O-N 3.12Å; P321-A324 VanDerWaalsContact O-N 3.17Å; A324-V327 PolarHBondContact O-N 3.01Å; A324-E328 PolarHBondContact O-N 3.3Å; A324-E328 VanDerWaalsContact O-N 3.09Å
325	G	98.4	Very high	98.3	Very high	41 Å²	41	51.5 Å²	51.5	42%	0.423	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-45	177.6	0	0	0	0	0	112.9	P321 I323 V327 E328 E329	P321-G325 PolarHBondContact O-N 3.34Å; I323-G325 PolarHBondContact O-N 3.25Å; G325-V327 VanDerWaalsContact C-N 3.32Å; G325-V327 PolarHBondContact O-N 3.33Å; G325-E328 WeakPolarHBondContact O-CB 3.44Å; G325-E328 PolarHBondContact O-N 3.44Å; G325-E329 PolarHBondContact O-N 3.48Å
326	L	98.8	Very high	98.3	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.047	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-36	178.7	-169.7	61.1	0	0	0	112.3	F257 V290 K295 I298 L299 K322 I323 E329 M330	F257-L326 HydrophobicContact CD2-CD2 3.67Å; F257-L326 HydrophobicContact CE2-CD2 3.53Å; F257-L326 HydrophobicContact CE2-CG 4.35Å; F257-L326 HydrophobicContact CZ-CD2 4.34Å; V290-L326 HydrophobicContact CG1-CD2 3.87Å; K295-L326 HydrophobicContact CD-CD1 4.45Å; K295-L326 HydrophobicContact CG-CD1 3.86Å; I298-L326 HydrophobicContact CG2-CD2 4.13Å; L299-L326 HydrophobicContact CD1-CD1 4.31Å; L299-L326 HydrophobicContact CD2-CD1 3.8Å; L299-L326 HydrophobicContact CG-CD1 4.06Å; K322-L326 WeakPolarHBondContact O-CB 3.18Å; K322-L326 PolarHBondContact O-N 2.85Å; I323-L326 PolarHBondContact O-N 3.27Å; L326-E329 PolarHBondContact O-N 3.11Å; L326-M330 VanDerWaalsContact O-CG 3.28Å; L326-M330 WeakPolarHBondContact O-CG 3.46Å; L326-M330 PolarHBondContact O-N 3.41Å
327	V	98.8	Very high	98.4	Very high	1 Å²	1	51 Å²	51	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-68.4	-34.8	175.1	174.3	0	0	0	0	112	I323 A324 G325 M330 T331 L356 R359 L360	I323-V327 HydrophobicContact CG2-CG2 4.29Å; I323-V327 WeakPolarHBondContact O-CB 3.31Å; I323-V327 WeakPolarHBondContact O-CG2 3.41Å; I323-V327 PolarHBondContact O-N 3.34Å; A324-V327 PolarHBondContact O-N 3.01Å; G325-V327 VanDerWaalsContact C-N 3.32Å; G325-V327 PolarHBondContact O-N 3.33Å; V327-M330 HydrophobicContact CB-CE 4.27Å; V327-M330 HydrophobicContact CG2-CE 3.75Å; V327-T331 PolarHBondContact O-N 2.95Å; V327-T331 PolarHBondContact O-OG1 2.91Å; V327-L356 HydrophobicContact CG2-CD1 3.68Å; V327-R359 HydrophobicContact CG1-CB 3.65Å; V327-L360 HydrophobicContact CG2-CD2 4.13Å
328	E	98.8	Very high	98.6	Very high	128 Å²	128	46.3 Å²	46.3	60%	0.598	25%	0.254	S	S	*	.	H	α-helix	trans	-60.6	-48.4	172.1	-168.1	70.4	-170.3	0	0	110.8	A324 G325 T331 G332	A324-E328 PolarHBondContact O-N 3.3Å; A324-E328 VanDerWaalsContact O-N 3.09Å; G325-E328 WeakPolarHBondContact O-CB 3.44Å; G325-E328 PolarHBondContact O-N 3.44Å; E328-T331 VanDerWaalsContact O-CB 3.25Å; E328-T331 WeakPolarHBondContact O-CB 3.48Å; E328-T331 PolarHBondContact O-N 2.87Å; E328-T331 VanDerWaalsContact O-N 3.14Å; E328-G332 PolarHBondContact O-N 3.39Å; E328-G332 VanDerWaalsContact O-N 3.16Å
329	E	98.7	Very high	98.7	Very high	45 Å²	45	46 Å²	46	21%	0.21	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-44.1	178.3	-173.8	175	-174.3	0	0	112.5	K295 L299 G325 L326 T331 G332 L333	K295-E329 WeakPolarHBondContact CD-OE2 3.39Å; K295-E329 WeakPolarHBondContact CE-OE1 3.17Å; K295-E329 WeakPolarHBondContact CE-OE2 3.28Å; K295-E329 IonicContact NZ-OE1 3.66Å; K295-E329 PolarHBondContact NZ-OE1 2.95Å; K295-E329 IonicContact NZ-OE2 2.68Å; K295-E329 PolarHBondContact NZ-OE2 3.4Å; L299-E329 HydrophobicContact CD1-CG 4.33Å; L299-E329 WeakPolarHBondContact CD1-OE1 3.4Å; G325-E329 PolarHBondContact O-N 3.48Å; L326-E329 PolarHBondContact O-N 3.11Å; E329-T331 PolarHBondContact O-N 3Å; E329-G332 CarbonylContact O-C 3.59Å; E329-G332 WeakPolarHBondContact O-CA 3.3Å; E329-G332 PolarHBondContact O-N 3.44Å; E329-L333 HydrophobicContact CG-CD1 4.19Å; E329-L333 HydrophobicContact CG-CG 4.45Å; E329-L333 WeakPolarHBondContact O-CG 3.19Å; E329-L333 PolarHBondContact O-N 3.1Å
330	M	98.9	Very high	98.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-30.9	174.8	-70.2	-169.4	-64	0	0	112.7	F257 L299 V302 L326 V327 L333 R334 F335 L360 F365	F257-M330 HydrophobicContact CE2-CE 4.16Å; F257-M330 HydrophobicContact CZ-CE 3.73Å; F257-M330 HydrophobicContact CZ-SD 3.81Å; L299-M330 HydrophobicContact CD2-CG 3.77Å; V302-M330 HydrophobicContact CG1-SD 4.42Å; V302-M330 HydrophobicContact CG2-SD 4.5Å; L326-M330 VanDerWaalsContact O-CG 3.28Å; L326-M330 WeakPolarHBondContact O-CG 3.46Å; L326-M330 PolarHBondContact O-N 3.41Å; V327-M330 HydrophobicContact CB-CE 4.27Å; V327-M330 HydrophobicContact CG2-CE 3.75Å; M330-L333 PolarHBondContact O-N 3.41Å; M330-R334 PolarHBondContact O-N 3.43Å; M330-R334 VanDerWaalsContact O-N 3.1Å; M330-F335 HydrophobicContact CB-CD2 4.24Å; M330-F335 HydrophobicContact CB-CE2 4.24Å; M330-F335 HydrophobicContact CG-CD2 4.3Å; M330-F335 HydrophobicContact CG-CE2 3.92Å; M330-L360 HydrophobicContact CE-CD2 3.9Å; M330-F365 HydrophobicContact SD-CE2 4.34Å; M330-F365 HydrophobicContact SD-CZ 4.19Å
331	T	98.7	Very high	98.7	Very high	55 Å²	55	45 Å²	45	34%	0.337	24%	0.241	S	C	.	.	H	α-helix	trans	-65.2	-43.7	174.2	-56.8	0	0	0	0	110.4	V327 E328 E329 R334 A363	V327-T331 PolarHBondContact O-N 2.95Å; V327-T331 PolarHBondContact O-OG1 2.91Å; E328-T331 VanDerWaalsContact O-CB 3.25Å; E328-T331 WeakPolarHBondContact O-CB 3.48Å; E328-T331 PolarHBondContact O-N 2.87Å; E328-T331 VanDerWaalsContact O-N 3.14Å; E329-T331 PolarHBondContact O-N 3Å; T331-R334 WeakPolarHBondContact O-CG 3.25Å; T331-R334 PolarHBondContact O-N 2.87Å; T331-A363 WeakPolarHBondContact OG1-CB 3.42Å
332	G	98.4	Very high	98.7	Very high	50 Å²	50	41 Å²	41	52%	0.515	22%	0.215	S	C	.	.	H	α-helix	trans	-64.7	-38.6	173.7	0	0	0	0	0	113.4	P201 E328 E329 R334	P201-G332 WeakPolarHBondContact CB-O 3.28Å; E328-G332 PolarHBondContact O-N 3.39Å; E328-G332 VanDerWaalsContact O-N 3.16Å; E329-G332 CarbonylContact O-C 3.59Å; E329-G332 WeakPolarHBondContact O-CA 3.3Å; E329-G332 PolarHBondContact O-N 3.44Å; G332-R334 VanDerWaalsContact C-N 3.29Å; G332-R334 WeakPolarHBondContact O-CG 3.37Å; G332-R334 PolarHBondContact O-N 3.31Å
333	L	98.8	Very high	98.7	Very high	12 Å²	12	35.9 Å²	35.9	6%	0.063	19%	0.192	C	C	.	.	H	α-helix	trans	-72.9	-18.3	178.9	-70.1	174.3	0	0	0	114	N197 T200 P201 L299 E329 M330 F335	N197-L333 WeakPolarHBondContact O-CD2 3.33Å; T200-L333 CarbonylContact C-O 3.57Å; T200-L333 VanDerWaalsContact CG2-O 3.25Å; T200-L333 WeakPolarHBondContact CG2-O 3.33Å; P201-L333 WeakPolarHBondContact CA-O 3.37Å; P201-L333 HydrophobicContact CG-CD2 4.43Å; L299-L333 HydrophobicContact CD1-CD1 4.01Å; L299-L333 HydrophobicContact CD2-CD1 3.93Å; L299-L333 HydrophobicContact CG-CD1 4.43Å; E329-L333 HydrophobicContact CG-CD1 4.19Å; E329-L333 HydrophobicContact CG-CG 4.45Å; E329-L333 WeakPolarHBondContact O-CG 3.19Å; E329-L333 PolarHBondContact O-N 3.1Å; M330-L333 PolarHBondContact O-N 3.41Å; L333-F335 HydrophobicContact CB-CD2 4.42Å; L333-F335 HydrophobicContact CB-CE2 4Å; L333-F335 HydrophobicContact CB-CZ 4.31Å; L333-F335 HydrophobicContact CD1-CE2 4Å; L333-F335 HydrophobicContact CD1-CZ 4.01Å; L333-F335 PolarHBondContact O-N 2.78Å
334	R	98.6	Very high	98.7	Very high	134 Å²	134	35.9 Å²	35.9	51%	0.506	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	50.6	171.6	-60.4	169.9	74.6	87.6	-3	113.3	P201 M330 T331 G332 R336	P201-R334 HydrophobicContact CB-CB 4.45Å; P201-R334 HydrophobicContact CB-CG 4.47Å; M330-R334 PolarHBondContact O-N 3.43Å; M330-R334 VanDerWaalsContact O-N 3.1Å; T331-R334 WeakPolarHBondContact O-CG 3.25Å; T331-R334 PolarHBondContact O-N 2.87Å; G332-R334 VanDerWaalsContact C-N 3.29Å; G332-R334 WeakPolarHBondContact O-CG 3.37Å; G332-R334 PolarHBondContact O-N 3.31Å; R334-R336 WeakPolarHBondContact O-CG 3.36Å; R334-R336 PolarHBondContact O-NH1 2.87Å
335	F	98.8	Very high	98.7	Very high	4 Å²	4	35 Å²	35	2%	0.018	19%	0.185	C	C	.	.			trans	-53.5	144.5	170.6	-66.8	-69	0	0	0	111.5	T200 L299 V302 F303 M330 L333 K338 F365	T200-F335 HydrophobicContact CG2-CD1 3.79Å; T200-F335 HydrophobicContact CG2-CE1 3.86Å; L299-F335 HydrophobicContact CD2-CE2 4.32Å; L299-F335 HydrophobicContact CD2-CZ 4.49Å; V302-F335 HydrophobicContact CB-CE2 4.4Å; V302-F335 HydrophobicContact CB-CZ 4.22Å; V302-F335 HydrophobicContact CG1-CD1 4.22Å; V302-F335 HydrophobicContact CG1-CD2 3.8Å; V302-F335 HydrophobicContact CG1-CE1 4.09Å; V302-F335 HydrophobicContact CG1-CE2 3.65Å; V302-F335 HydrophobicContact CG1-CG 4.09Å; V302-F335 HydrophobicContact CG1-CZ 3.8Å; F303-F335 HydrophobicContact CB-CE1 3.85Å; F303-F335 HydrophobicContact CD2-CE1 4.22Å; M330-F335 HydrophobicContact CB-CD2 4.24Å; M330-F335 HydrophobicContact CB-CE2 4.24Å; M330-F335 HydrophobicContact CG-CD2 4.3Å; M330-F335 HydrophobicContact CG-CE2 3.92Å; L333-F335 HydrophobicContact CB-CD2 4.42Å; L333-F335 HydrophobicContact CB-CE2 4Å; L333-F335 HydrophobicContact CB-CZ 4.31Å; L333-F335 HydrophobicContact CD1-CE2 4Å; L333-F335 HydrophobicContact CD1-CZ 4.01Å; L333-F335 PolarHBondContact O-N 2.78Å; F335-K338 HydrophobicContact CB-CD 4.03Å; F335-K338 HydrophobicContact CD1-CD 4.29Å; F335-K338 HydrophobicContact CG-CD 4.33Å; F335-F365 HydrophobicContact CB-CZ 4.2Å; F335-F365 HydrophobicContact CD2-CZ 4.16Å; F335-F365 HydrophobicContact CG-CZ 4.48Å
336	R	98.3	Very high	98.7	Very high	73 Å²	73	35 Å²	35	28%	0.275	17%	0.174	S	C	.	.			trans	-132	151.4	-175.5	-65.7	-61.4	172.9	-108.7	8.2	111.3	D248 R334 K338	D248-R336 HydrophobicContact CB-CB 4.26Å; D248-R336 VanDerWaalsContact CG-CB 3.44Å; D248-R336 VanDerWaalsContact OD1-CB 3.24Å; D248-R336 WeakPolarHBondContact OD1-CB 3.23Å; R334-R336 WeakPolarHBondContact O-CG 3.36Å; R334-R336 PolarHBondContact O-NH1 2.87Å; R336-K338 WeakPolarHBondContact O-CG 3.26Å; R336-K338 PolarHBondContact O-N 2.75Å
337	N	98.5	Very high	98.6	Very high	110 Å²	110	35.2 Å²	35.2	59%	0.588	18%	0.178	S	C	*	.	S	Bend	trans	58.1	27.1	-178.8	-162.4	34.5	0	0	0	114.2	D248 Q250	D248-N337 HydrophobicContact CB-CB 3.97Å; Q250-N337 PolarHBondContact OE1-O 2.84Å
338	K	98.9	Very high	98.4	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.026	21%	0.208	C	C	.	.			trans	-110.5	140.6	179.7	-58.6	-168.1	-171.2	-59.7	0	111.2	Y249 V302 F303 S305 F335 R336 F365 E366	Y249-K338 PolarHBondContact O-NZ 2.75Å; V302-K338 HydrophobicContact CG1-CD 4.41Å; V302-K338 WeakPolarHBondContact O-CD 3.23Å; V302-K338 WeakPolarHBondContact O-CE 3.43Å; V302-K338 PolarHBondContact O-NZ 3.28Å; F303-K338 WeakPolarHBondContact O-CE 3.48Å; F303-K338 PolarHBondContact O-NZ 2.85Å; S305-K338 WeakPolarHBondContact O-CD 3.04Å; S305-K338 PolarHBondContact O-NZ 3.49Å; F335-K338 HydrophobicContact CB-CD 4.03Å; F335-K338 HydrophobicContact CD1-CD 4.29Å; F335-K338 HydrophobicContact CG-CD 4.33Å; R336-K338 WeakPolarHBondContact O-CG 3.26Å; R336-K338 PolarHBondContact O-N 2.75Å; K338-F365 HydrophobicContact CB-CD1 3.7Å; K338-F365 HydrophobicContact CB-CE1 3.67Å; K338-F365 HydrophobicContact CD-CE1 4.3Å; K338-F365 WeakPolarHBondContact O-CA 3.46Å; K338-E366 PolarHBondContact O-N 3.38Å
339	R	98.9	Very high	98.2	Very high	62 Å²	62	41.3 Å²	41.3	23%	0.234	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	155.8	175.7	-50.3	-174.8	82.6	-175.2	1.1	110.9	K306 G307 V308 E366 Q395 W396	K306-R339 PolarHBondContact O-N 3.34Å; K306-R339 VanDerWaalsContact O-N 3.15Å; G307-R339 CarbonylContact C-O 3.51Å; G307-R339 WeakPolarHBondContact CA-O 3.25Å; V308-R339 PolarHBondContact N-O 3.15Å; R339-E366 CarbonylContact C-O 3.57Å; R339-E366 VanDerWaalsContact CA-O 3.28Å; R339-E366 WeakPolarHBondContact CA-O 3.27Å; R339-E366 HydrophobicContact CG-CB 4.36Å; R339-E366 IonicContact CZ-OE1 3.11Å; R339-E366 IonicContact NE-OE1 3.53Å; R339-E366 PolarHBondContact NE-OE1 3.21Å; R339-E366 VanDerWaalsContact NE-OE1 3.11Å; R339-E366 IonicContact NE-OE2 3.76Å; R339-E366 IonicContact NH2-OE1 3.7Å; R339-E366 PolarHBondContact NH2-OE1 2.79Å; R339-Q395 PolarHBondContact NH1-O 2.71Å; R339-W396 HydrophobicContact CB-CD2 3.99Å; R339-W396 HydrophobicContact CB-CE3 4.47Å; R339-W396 HydrophobicContact CB-CH2 4.25Å; R339-W396 HydrophobicContact CB-CZ2 3.71Å; R339-W396 VanDerWaalsContact CZ-CD1 3.44Å
340	A	98.9	Very high	98.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.3	175.6	0	0	0	0	0	114.1	V308 L360 F365 E366 M367 S368	V308-A340 HydrophobicContact CG2-CB 3.81Å; V308-A340 VanDerWaalsContact O-CA 3.22Å; V308-A340 WeakPolarHBondContact O-CA 3.22Å; A340-L360 HydrophobicContact CB-CD1 4.3Å; A340-F365 HydrophobicContact CB-CB 3.61Å; A340-F365 HydrophobicContact CB-CD1 3.86Å; A340-F365 HydrophobicContact CB-CG 3.86Å; A340-E366 PolarHBondContact N-O 3.46Å; A340-M367 HydrophobicContact CB-CE 3.97Å; A340-M367 HydrophobicContact CB-SD 3.77Å; A340-M367 WeakPolarHBondContact O-CA 3.46Å; A340-S368 PolarHBondContact O-N 2.64Å
341	S	99	Very high	97.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	128.2	168.8	175.2	0	0	0	0	109.6	V308 L309 V310 L369 H388	V308-S341 PolarHBondContact O-N 3.39Å; L309-S341 VanDerWaalsContact CA-O 3.27Å; L309-S341 WeakPolarHBondContact CA-O 3.42Å; V310-S341 PolarHBondContact N-O 2.98Å; S341-L369 PolarHBondContact OG-O 3.16Å; S341-H388 PolarHBondContact OG-CE1 3.25Å; S341-H388 PolarHBondContact OG-NE2 3.32Å
342	A	98.9	Very high	97.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	142.9	176.6	0	0	0	0	0	110.5	V310 V353 L356 L360 S370 L371	V310-A342 WeakPolarHBondContact O-CA 3.43Å; A342-V353 HydrophobicContact CB-CG1 3.94Å; A342-L356 HydrophobicContact CB-CB 4.41Å; A342-L356 HydrophobicContact CB-CD2 4.04Å; A342-L356 HydrophobicContact CB-CG 4.02Å; A342-L360 HydrophobicContact CB-CD1 4.39Å; A342-S370 CarbonylContact O-C 3.57Å; A342-S370 WeakPolarHBondContact O-CA 3.35Å; A342-S370 WeakPolarHBondContact O-CB 3.18Å; A342-L371 PolarHBondContact O-N 2.92Å
343	F	99	Very high	97.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	163.5	175.3	71.7	-81.5	0	0	0	113.6	I256 Y258 T265 M268 A269 I272 L309 V310 G311 T312 L371	I256-F343 HydrophobicContact CG2-CE1 3.92Å; I256-F343 HydrophobicContact CG2-CZ 3.88Å; Y258-F343 HydrophobicContact CD1-CZ 4.31Å; T265-F343 HydrophobicContact CG2-CD2 4.01Å; T265-F343 HydrophobicContact CG2-CE2 3.59Å; T265-F343 HydrophobicContact CG2-CZ 4.39Å; T265-F343 WeakPolarHBondContact O-CE2 3.39Å; M268-F343 HydrophobicContact CB-CD2 3.92Å; M268-F343 HydrophobicContact CB-CE2 4.12Å; M268-F343 HydrophobicContact CE-CB 4.38Å; M268-F343 HydrophobicContact CE-CD2 4.3Å; A269-F343 HydrophobicContact CB-CE2 3.8Å; A269-F343 HydrophobicContact CB-CZ 3.66Å; I272-F343 HydrophobicContact CD1-CB 4.29Å; I272-F343 HydrophobicContact CD1-CD1 4.11Å; I272-F343 HydrophobicContact CD1-CD2 3.93Å; I272-F343 HydrophobicContact CD1-CE1 4.42Å; I272-F343 HydrophobicContact CD1-CE2 4.26Å; I272-F343 HydrophobicContact CD1-CG 3.86Å; I272-F343 HydrophobicContact CD1-CZ 4.49Å; L309-F343 HydrophobicContact CB-CD1 4.11Å; L309-F343 HydrophobicContact CB-CE1 3.96Å; V310-F343 VanDerWaalsContact C-CE1 3.44Å; V310-F343 WeakPolarHBondContact O-CD1 3.34Å; V310-F343 PolarHBondContact O-N 2.94Å; G311-F343 CarbonylContact C-O 3.58Å; G311-F343 VanDerWaalsContact CA-CE1 3.44Å; G311-F343 VanDerWaalsContact CA-CZ 3.47Å; G311-F343 VanDerWaalsContact CA-O 3.26Å; G311-F343 WeakPolarHBondContact CA-O 3.47Å; G311-F343 VanDerWaalsContact N-CE1 3.28Å; T312-F343 PolarHBondContact N-O 2.92Å; F343-L371 CarbonylContact C-O 3.56Å; F343-L371 WeakPolarHBondContact CA-O 3.48Å; F343-L371 HydrophobicContact CB-CB 3.88Å; F343-L371 HydrophobicContact CB-CD2 4.5Å
344	G	98.9	Very high	97.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.8	165	172.6	0	0	0	0	0	117.4	T312 L371 A373	T312-G344 WeakPolarHBondContact O-CA 3.39Å; G344-L371 PolarHBondContact N-O 3.49Å; G344-A373 PolarHBondContact O-N 3.4Å; G344-A373 VanDerWaalsContact O-N 3.11Å
345	S	98.7	Very high	97.8	Very high	6 Å²	6	39 Å²	39	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	149.5	174.9	173.9	0	0	0	0	112.3	N264 T265 S313 T314 A373 W375	N264-S345 WeakPolarHBondContact CB-OG 3.2Å; T265-S345 PolarHBondContact OG1-N 3.04Å; S313-S345 WeakPolarHBondContact CA-O 3.41Å; S313-S345 WeakPolarHBondContact CB-O 3.48Å; T314-S345 PolarHBondContact N-O 3.16Å; S345-A373 CarbonylContact C-O 3.58Å; S345-A373 VanDerWaalsContact CA-O 3.26Å; S345-A373 WeakPolarHBondContact CA-O 3.34Å; S345-W375 PolarHBondContact OG-O 3.3Å
346	H	98.4	Very high	97.8	Very high	41 Å²	41	38.8 Å²	38.8	19%	0.19	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	157.1	172.3	65.3	-72.9	0	0	0	112.3	W348 A373 K374 W375	H346-W348 PolarHBondContact CD2-O 3.24Å; H346-W348 VanDerWaalsContact CD2-O 3.28Å; H346-A373 PolarHBondContact CE1-O 3.44Å; H346-A373 PolarHBondContact N-O 2.94Å; H346-A373 PolarHBondContact ND1-O 3.5Å; H346-K374 CarbonylContact O-C 3.6Å; H346-K374 WeakPolarHBondContact O-CA 3.4Å; H346-W375 PolarHBondContact O-N 2.96Å
347	G	96.8	Very high	97.8	Very high	12 Å²	12	36.3 Å²	36.3	12%	0.124	19%	0.189	C	C	.	.	S	Bend	trans	-85.8	-50.6	177.2	0	0	0	0	0	113.9	K374 W375	G347-K374 WeakPolarHBondContact O-CE 3.28Å; G347-W375 VanDerWaalsContact CA-CH2 3.45Å; G347-W375 VanDerWaalsContact O-CE2 3.23Å; G347-W375 WeakPolarHBondContact O-CZ2 3.44Å; G347-W375 PolarHBondContact O-NE1 2.83Å
348	W	94	Very high	97.8	Very high	172 Å²	172	34.8 Å²	34.8	65%	0.652	19%	0.185	S	C	*	.	S	Bend	trans	-128.6	-85.9	-174.6	54.2	96.8	0	0	0	113.2	H346	H346-W348 PolarHBondContact CD2-O 3.24Å; H346-W348 VanDerWaalsContact CD2-O 3.28Å
349	S	94.9	Very high	97.8	Very high	85 Å²	85	38.3 Å²	38.3	59%	0.594	20%	0.197	S	C	*	.	S	Bend	trans	-89.3	-14.6	-171.6	54	0	0	0	0	113.9
350	G	95.5	Very high	97.8	Very high	10 Å²	10	35.3 Å²	35.3	10%	0.103	19%	0.186	C	C	.	.			trans	69.6	-131.4	177.1	0	0	0	0	0	113.2	T314	T314-G350 WeakPolarHBondContact CG2-O 3.45Å; T314-G350 VanDerWaalsContact OG1-CA 3.29Å; T314-G350 WeakPolarHBondContact OG1-CA 3.39Å; T314-G350 PolarHBondContact OG1-O 3.14Å
351	G	94.6	Very high	97.8	Very high	38 Å²	38	41 Å²	41	39%	0.392	21%	0.213	S	C	.	.			trans	94.7	-25.1	177.8	0	0	0	0	0	116.2	R355	G351-R355 WeakPolarHBondContact O-CB 3.27Å; G351-R355 PolarHBondContact O-N 2.86Å; G351-R355 VanDerWaalsContact O-N 3.13Å
352	A	98.2	Very high	97.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-69.3	-37.5	-177.3	0	0	0	0	0	113.5	T312 T314 M319 R355 L356	T312-A352 HydrophobicContact CG2-CB 4.11Å; T314-A352 WeakPolarHBondContact OG1-CB 3.41Å; T314-A352 PolarHBondContact OG1-N 3.04Å; M319-A352 HydrophobicContact CB-CB 4.25Å; A352-R355 PolarHBondContact O-N 3.07Å; A352-L356 WeakPolarHBondContact O-CB 3.46Å; A352-L356 PolarHBondContact O-N 3.34Å
353	V	98.8	Very high	97.7	Very high	8 Å²	8	46.5 Å²	46.5	5%	0.048	24%	0.243	C	C	.	.	H	α-helix	trans	-65.4	-44.1	179.6	179.9	0	0	0	0	111.2	A342 L356 S357 K372	A342-V353 HydrophobicContact CB-CG1 3.94Å; V353-L356 PolarHBondContact O-N 3.17Å; V353-S357 WeakPolarHBondContact O-CB 3.34Å; V353-S357 PolarHBondContact O-N 3.17Å; V353-K372 HydrophobicContact CB-CG 4.19Å; V353-K372 HydrophobicContact CG1-CG 4.1Å; V353-K372 HydrophobicContact CG2-CG 4.33Å
354	D	97.7	Very high	97.7	Very high	75 Å²	75	48.3 Å²	48.3	40%	0.401	26%	0.261	S	S	.	.	H	α-helix	trans	-64.9	-43.8	176.8	-63	-44.6	0	0	0	111	L356 S357 T358 K372	D354-L356 VanDerWaalsContact C-N 3.28Å; D354-L356 PolarHBondContact O-N 3.44Å; D354-S357 WeakPolarHBondContact O-CB 3.3Å; D354-S357 PolarHBondContact O-N 2.73Å; D354-T358 PolarHBondContact O-N 3.06Å; D354-T358 PolarHBondContact O-OG1 3.11Å; D354-K372 WeakPolarHBondContact OD1-CE 3.36Å; D354-K372 IonicContact OD1-NZ 2.69Å; D354-K372 PolarHBondContact OD1-NZ 3.21Å; D354-K372 IonicContact OD2-NZ 3.48Å; D354-K372 PolarHBondContact OD2-NZ 3.38Å
355	R	98.1	Very high	97.7	Very high	116 Å²	116	48.6 Å²	48.6	44%	0.438	26%	0.263	S	S	.	.	H	α-helix	trans	-59.4	-39.5	175.7	-169.9	-177.5	-179.7	84	-0.1	112.1	M319 G351 A352 R359	M319-R355 HydrophobicContact CE-CB 4.09Å; M319-R355 HydrophobicContact CE-CG 3.72Å; G351-R355 WeakPolarHBondContact O-CB 3.27Å; G351-R355 PolarHBondContact O-N 2.86Å; G351-R355 VanDerWaalsContact O-N 3.13Å; A352-R355 PolarHBondContact O-N 3.07Å; R355-R359 PolarHBondContact O-N 2.88Å
356	L	98.8	Very high	97.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.7	-46.6	175.2	172.7	60.8	0	0	0	111.2	V310 T312 M319 I323 V327 A342 A352 V353 D354 T358 R359 L360	V310-L356 HydrophobicContact CB-CD1 4.5Å; V310-L356 HydrophobicContact CB-CD2 3.98Å; V310-L356 HydrophobicContact CG1-CD1 4.06Å; V310-L356 HydrophobicContact CG1-CD2 3.82Å; V310-L356 HydrophobicContact CG1-CG 4.47Å; V310-L356 VanDerWaalsContact O-CD2 3.3Å; V310-L356 WeakPolarHBondContact O-CD2 3.45Å; T312-L356 HydrophobicContact CG2-CB 4.22Å; T312-L356 HydrophobicContact CG2-CD2 3.66Å; M319-L356 HydrophobicContact CE-CB 4.02Å; M319-L356 HydrophobicContact SD-CD1 4.44Å; I323-L356 HydrophobicContact CG2-CD1 3.78Å; I323-L356 HydrophobicContact CG2-CD2 4.22Å; V327-L356 HydrophobicContact CG2-CD1 3.68Å; A342-L356 HydrophobicContact CB-CB 4.41Å; A342-L356 HydrophobicContact CB-CD2 4.04Å; A342-L356 HydrophobicContact CB-CG 4.02Å; A352-L356 WeakPolarHBondContact O-CB 3.46Å; A352-L356 PolarHBondContact O-N 3.34Å; V353-L356 PolarHBondContact O-N 3.17Å; D354-L356 VanDerWaalsContact C-N 3.28Å; D354-L356 PolarHBondContact O-N 3.44Å; L356-T358 VanDerWaalsContact C-N 3.29Å; L356-T358 PolarHBondContact O-N 3Å; L356-R359 PolarHBondContact O-N 3.42Å; L356-R359 VanDerWaalsContact O-N 3.12Å; L356-L360 HydrophobicContact CD1-CD1 4.02Å; L356-L360 HydrophobicContact CD1-CG 4Å; L356-L360 HydrophobicContact CG-CD1 3.98Å; L356-L360 HydrophobicContact CG-CG 4.41Å; L356-L360 WeakPolarHBondContact O-CG 3.42Å; L356-L360 PolarHBondContact O-N 3.2Å
357	S	98.7	Very high	97.7	Very high	21 Å²	21	53.4 Å²	53.4	15%	0.147	29%	0.285	C	S	.	.	H	α-helix	trans	-55.9	-43.6	178.1	-171.1	0	0	0	0	111.9	V353 D354 L360 Q361 M367	V353-S357 WeakPolarHBondContact O-CB 3.34Å; V353-S357 PolarHBondContact O-N 3.17Å; D354-S357 WeakPolarHBondContact O-CB 3.3Å; D354-S357 PolarHBondContact O-N 2.73Å; S357-L360 PolarHBondContact O-N 3.03Å; S357-Q361 PolarHBondContact O-N 2.96Å; S357-Q361 VanDerWaalsContact O-N 3.12Å; S357-M367 WeakPolarHBondContact OG-CE 3.38Å
358	T	98.1	Very high	97.8	Very high	79 Å²	79	53.4 Å²	53.4	49%	0.485	28%	0.283	S	S	.	.	H	α-helix	trans	-60.9	-47.8	175.6	-56.5	0	0	0	0	111.6	D354 L356 L360 Q361 D362	D354-T358 PolarHBondContact O-N 3.06Å; D354-T358 PolarHBondContact O-OG1 3.11Å; L356-T358 VanDerWaalsContact C-N 3.29Å; L356-T358 PolarHBondContact O-N 3Å; T358-L360 VanDerWaalsContact C-N 3.34Å; T358-L360 PolarHBondContact O-N 2.75Å; T358-Q361 WeakPolarHBondContact O-CB 3.47Å; T358-Q361 PolarHBondContact O-N 3.45Å; T358-Q361 VanDerWaalsContact O-N 3.16Å; T358-D362 VanDerWaalsContact O-CG 3.25Å; T358-D362 PolarHBondContact O-N 2.79Å
359	R	98.6	Very high	98	Very high	79 Å²	79	49.7 Å²	49.7	30%	0.298	28%	0.276	S	S	.	.	H	α-helix	trans	-67	-33.2	-178.8	-69	-170.1	177.7	-160.2	-9.4	113.6	V327 R355 L356 Q361 D362 A363	V327-R359 HydrophobicContact CG1-CB 3.65Å; R355-R359 PolarHBondContact O-N 2.88Å; L356-R359 PolarHBondContact O-N 3.42Å; L356-R359 VanDerWaalsContact O-N 3.12Å; R359-Q361 VanDerWaalsContact C-N 3.34Å; R359-D362 PolarHBondContact O-N 3.06Å; R359-A363 WeakPolarHBondContact O-CB 3.44Å; R359-A363 PolarHBondContact O-N 3.4Å
360	L	98.8	Very high	98.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-39.8	172.9	-70.6	170.6	0	0	0	111.3	V310 V327 M330 A340 A342 L356 S357 T358 D362 A363 G364 F365 M367	V310-L360 HydrophobicContact CB-CD1 3.99Å; V310-L360 HydrophobicContact CG2-CD1 3.86Å; V310-L360 HydrophobicContact CG2-CD2 4.01Å; V327-L360 HydrophobicContact CG2-CD2 4.13Å; M330-L360 HydrophobicContact CE-CD2 3.9Å; A340-L360 HydrophobicContact CB-CD1 4.3Å; A342-L360 HydrophobicContact CB-CD1 4.39Å; L356-L360 HydrophobicContact CD1-CD1 4.02Å; L356-L360 HydrophobicContact CD1-CG 4Å; L356-L360 HydrophobicContact CG-CD1 3.98Å; L356-L360 HydrophobicContact CG-CG 4.41Å; L356-L360 WeakPolarHBondContact O-CG 3.42Å; L356-L360 PolarHBondContact O-N 3.2Å; S357-L360 PolarHBondContact O-N 3.03Å; T358-L360 VanDerWaalsContact C-N 3.34Å; T358-L360 PolarHBondContact O-N 2.75Å; L360-D362 VanDerWaalsContact C-N 3.34Å; L360-A363 PolarHBondContact O-N 3.31Å; L360-G364 PolarHBondContact O-N 2.91Å; L360-F365 HydrophobicContact CB-CD2 4.49Å; L360-F365 HydrophobicContact CD2-CD2 4.26Å; L360-F365 HydrophobicContact CD2-CE2 4.37Å; L360-F365 WeakPolarHBondContact O-CB 3.22Å; L360-F365 WeakPolarHBondContact O-CD2 3.28Å; L360-F365 PolarHBondContact O-N 2.73Å; L360-F365 VanDerWaalsContact O-N 3.12Å; L360-M367 HydrophobicContact CB-CE 4.02Å; L360-M367 HydrophobicContact CB-SD 3.56Å; L360-M367 VanDerWaalsContact CB-SD 3.56Å; L360-M367 HydrophobicContact CD1-CE 4.07Å
361	Q	98.6	Very high	98.3	Very high	118 Å²	118	47.8 Å²	47.8	55%	0.551	26%	0.259	S	S	*	.	H	α-helix	trans	-61.2	-44.9	172.8	-165	-178.2	-75.4	0	0	111.2	S357 T358 R359 A363 G364 M367	S357-Q361 PolarHBondContact O-N 2.96Å; S357-Q361 VanDerWaalsContact O-N 3.12Å; T358-Q361 WeakPolarHBondContact O-CB 3.47Å; T358-Q361 PolarHBondContact O-N 3.45Å; T358-Q361 VanDerWaalsContact O-N 3.16Å; R359-Q361 VanDerWaalsContact C-N 3.34Å; Q361-A363 VanDerWaalsContact C-N 3.27Å; Q361-A363 PolarHBondContact O-N 3.48Å; Q361-G364 WeakPolarHBondContact O-CA 3.48Å; Q361-G364 PolarHBondContact O-N 2.77Å; Q361-M367 HydrophobicContact CB-CG 3.69Å; Q361-M367 HydrophobicContact CB-SD 4.45Å; Q361-M367 HydrophobicContact CG-CG 4.1Å
362	D	98.2	Very high	98.5	Very high	113 Å²	113	50.8 Å²	50.8	60%	0.604	26%	0.261	S	S	*	.	H	α-helix	trans	-63.2	-32.6	178	-62	-24.8	0	0	0	112.2	T358 R359 L360 G364	T358-D362 VanDerWaalsContact O-CG 3.25Å; T358-D362 PolarHBondContact O-N 2.79Å; R359-D362 PolarHBondContact O-N 3.06Å; L360-D362 VanDerWaalsContact C-N 3.34Å; D362-G364 PolarHBondContact O-N 3.42Å
363	A	98.4	Very high	98.5	Very high	4 Å²	4	51.3 Å²	51.3	3%	0.033	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.2	173.3	0	0	0	0	0	113.7	T331 R359 L360 Q361 F365	T331-A363 WeakPolarHBondContact OG1-CB 3.42Å; R359-A363 WeakPolarHBondContact O-CB 3.44Å; R359-A363 PolarHBondContact O-N 3.4Å; L360-A363 PolarHBondContact O-N 3.31Å; Q361-A363 VanDerWaalsContact C-N 3.27Å; Q361-A363 PolarHBondContact O-N 3.48Å; A363-F365 HydrophobicContact CB-CD2 4.11Å; A363-F365 HydrophobicContact CB-CE2 4.25Å
364	G	98.1	Very high	98.5	Very high	37 Å²	37	56.8 Å²	56.8	38%	0.381	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.6	11.8	175.6	0	0	0	0	0	115.3	L360 Q361 D362	L360-G364 PolarHBondContact O-N 2.91Å; Q361-G364 WeakPolarHBondContact O-CA 3.48Å; Q361-G364 PolarHBondContact O-N 2.77Å; D362-G364 PolarHBondContact O-N 3.42Å
365	F	98.8	Very high	98.5	Very high	7 Å²	7	60.2 Å²	60.2	3%	0.031	30%	0.296	C	S	.	.			trans	-80.2	142	174.4	-67.5	-93	0	0	0	111.8	V302 V308 M330 F335 K338 A340 L360 A363 M367	V302-F365 HydrophobicContact CG1-CZ 4.25Å; V308-F365 HydrophobicContact CG1-CE1 4.4Å; V308-F365 HydrophobicContact CG2-CD1 3.94Å; V308-F365 HydrophobicContact CG2-CE1 3.57Å; V308-F365 HydrophobicContact CG2-CZ 4.13Å; M330-F365 HydrophobicContact SD-CE2 4.34Å; M330-F365 HydrophobicContact SD-CZ 4.19Å; F335-F365 HydrophobicContact CB-CZ 4.2Å; F335-F365 HydrophobicContact CD2-CZ 4.16Å; F335-F365 HydrophobicContact CG-CZ 4.48Å; K338-F365 HydrophobicContact CB-CD1 3.7Å; K338-F365 HydrophobicContact CB-CE1 3.67Å; K338-F365 HydrophobicContact CD-CE1 4.3Å; K338-F365 WeakPolarHBondContact O-CA 3.46Å; A340-F365 HydrophobicContact CB-CB 3.61Å; A340-F365 HydrophobicContact CB-CD1 3.86Å; A340-F365 HydrophobicContact CB-CG 3.86Å; L360-F365 HydrophobicContact CB-CD2 4.49Å; L360-F365 HydrophobicContact CD2-CD2 4.26Å; L360-F365 HydrophobicContact CD2-CE2 4.37Å; L360-F365 WeakPolarHBondContact O-CB 3.22Å; L360-F365 WeakPolarHBondContact O-CD2 3.28Å; L360-F365 PolarHBondContact O-N 2.73Å; L360-F365 VanDerWaalsContact O-N 3.12Å; A363-F365 HydrophobicContact CB-CD2 4.11Å; A363-F365 HydrophobicContact CB-CE2 4.25Å; F365-M367 HydrophobicContact CB-SD 4.19Å; F365-M367 PolarHBondContact O-N 3.07Å
366	E	98.8	Very high	98.5	Very high	107 Å²	107	62.9 Å²	62.9	50%	0.5	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	113.4	168.5	-172.4	-159.2	132.7	0	0	109.8	K338 R339 A340	K338-E366 PolarHBondContact O-N 3.38Å; R339-E366 CarbonylContact C-O 3.57Å; R339-E366 VanDerWaalsContact CA-O 3.28Å; R339-E366 WeakPolarHBondContact CA-O 3.27Å; R339-E366 HydrophobicContact CG-CB 4.36Å; R339-E366 IonicContact CZ-OE1 3.11Å; R339-E366 IonicContact NE-OE1 3.53Å; R339-E366 PolarHBondContact NE-OE1 3.21Å; R339-E366 VanDerWaalsContact NE-OE1 3.11Å; R339-E366 IonicContact NE-OE2 3.76Å; R339-E366 IonicContact NH2-OE1 3.7Å; R339-E366 PolarHBondContact NH2-OE1 2.79Å; A340-E366 PolarHBondContact N-O 3.46Å
367	M	98.7	Very high	98.4	Very high	40 Å²	40	63.1 Å²	63.1	20%	0.197	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	127.6	-173.1	-61.2	-51	-56.9	0	0	113	A340 S357 L360 Q361 F365	A340-M367 HydrophobicContact CB-CE 3.97Å; A340-M367 HydrophobicContact CB-SD 3.77Å; A340-M367 WeakPolarHBondContact O-CA 3.46Å; S357-M367 WeakPolarHBondContact OG-CE 3.38Å; L360-M367 HydrophobicContact CB-CE 4.02Å; L360-M367 HydrophobicContact CB-SD 3.56Å; L360-M367 VanDerWaalsContact CB-SD 3.56Å; L360-M367 HydrophobicContact CD1-CE 4.07Å; Q361-M367 HydrophobicContact CB-CG 3.69Å; Q361-M367 HydrophobicContact CB-SD 4.45Å; Q361-M367 HydrophobicContact CG-CG 4.1Å; F365-M367 HydrophobicContact CB-SD 4.19Å; F365-M367 PolarHBondContact O-N 3.07Å
368	S	98.6	Very high	98.3	Very high	13 Å²	13	66.9 Å²	66.9	9%	0.091	33%	0.326	C	S	.	.			trans	-91	175.3	161.2	-57.9	0	0	0	0	110.4	A340 W396	A340-S368 PolarHBondContact O-N 2.64Å; S368-W396 PolarHBondContact OG-NE1 2.71Å
369	L	98.1	Very high	98.2	Very high	94 Å²	94	68.4 Å²	68.4	49%	0.492	33%	0.328	S	S	.	.			trans	-56.4	148.5	179	72.6	146.1	0	0	0	112	S341 H388	S341-L369 PolarHBondContact OG-O 3.16Å; L369-H388 PolarHBondContact O-CE1 3.37Å
370	S	98.6	Very high	98.1	Very high	33 Å²	33	70.8 Å²	70.8	23%	0.231	35%	0.346	C	S	.	.			trans	-90.4	152.5	175.2	-66.9	0	0	0	0	111.7	A342	A342-S370 CarbonylContact O-C 3.57Å; A342-S370 WeakPolarHBondContact O-CA 3.35Å; A342-S370 WeakPolarHBondContact O-CB 3.18Å
371	L	98.7	Very high	98.1	Very high	21 Å²	21	71.8 Å²	71.8	11%	0.11	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.9	176.6	179.4	69.9	0	0	0	111.7	M268 I272 A342 F343 G344 C385 H388	M268-L371 HydrophobicContact CE-CD2 3.83Å; M268-L371 HydrophobicContact CE-CG 3.81Å; I272-L371 HydrophobicContact CD1-CD2 3.83Å; I272-L371 HydrophobicContact CG1-CD2 4.05Å; A342-L371 PolarHBondContact O-N 2.92Å; F343-L371 CarbonylContact C-O 3.56Å; F343-L371 WeakPolarHBondContact CA-O 3.48Å; F343-L371 HydrophobicContact CB-CB 3.88Å; F343-L371 HydrophobicContact CB-CD2 4.5Å; G344-L371 PolarHBondContact N-O 3.49Å; L371-C385 HydrophobicContact CD2-CB 4.04Å; L371-H388 HydrophobicContact CD1-CB 4.15Å; L371-H388 HydrophobicContact CD2-CB 3.99Å; L371-H388 HydrophobicContact CG-CB 4.49Å
372	K	98.7	Very high	98	Very high	101 Å²	101	67.4 Å²	67.4	44%	0.439	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.3	-178.7	-59	175.1	-167.7	172.7	0	110.3	V353 D354	V353-K372 HydrophobicContact CB-CG 4.19Å; V353-K372 HydrophobicContact CG1-CG 4.1Å; V353-K372 HydrophobicContact CG2-CG 4.33Å; D354-K372 WeakPolarHBondContact OD1-CE 3.36Å; D354-K372 IonicContact OD1-NZ 2.69Å; D354-K372 PolarHBondContact OD1-NZ 3.21Å; D354-K372 IonicContact OD2-NZ 3.48Å; D354-K372 PolarHBondContact OD2-NZ 3.38Å
373	A	98	Very high	98.1	Very high	11 Å²	11	65.6 Å²	65.6	9%	0.091	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	152.3	170.3	0	0	0	0	0	110.2	M268 G344 S345 H346 P377	M268-A373 HydrophobicContact CE-CB 3.79Å; M268-A373 HydrophobicContact CG-CB 4.42Å; M268-A373 HydrophobicContact SD-CB 3.74Å; G344-A373 PolarHBondContact O-N 3.4Å; G344-A373 VanDerWaalsContact O-N 3.11Å; S345-A373 CarbonylContact C-O 3.58Å; S345-A373 VanDerWaalsContact CA-O 3.26Å; S345-A373 WeakPolarHBondContact CA-O 3.34Å; H346-A373 PolarHBondContact CE1-O 3.44Å; H346-A373 PolarHBondContact N-O 2.94Å; H346-A373 PolarHBondContact ND1-O 3.5Å; A373-P377 HydrophobicContact CB-CG 4.29Å
374	K	98.4	Very high	98.1	Very high	123 Å²	123	71.1 Å²	71.1	54%	0.535	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.1	175.6	-164.7	-177.7	-177.6	178.5	0	109.2	H346 G347	H346-K374 CarbonylContact O-C 3.6Å; H346-K374 WeakPolarHBondContact O-CA 3.4Å; G347-K374 WeakPolarHBondContact O-CE 3.28Å
375	W	97.9	Very high	98.1	Very high	148 Å²	148	69.4 Å²	69.4	56%	0.561	33%	0.333	S	S	*	.	S	Bend	trans	53.3	-143.4	-177.4	-56	120.5	0	0	0	113	N264 S345 H346 G347	N264-W375 WeakPolarHBondContact CB-O 3.34Å; N264-W375 PolarHBondContact ND2-O 3.17Å; S345-W375 PolarHBondContact OG-O 3.3Å; H346-W375 PolarHBondContact O-N 2.96Å; G347-W375 VanDerWaalsContact CA-CH2 3.45Å; G347-W375 VanDerWaalsContact O-CE2 3.23Å; G347-W375 WeakPolarHBondContact O-CZ2 3.44Å; G347-W375 PolarHBondContact O-NE1 2.83Å
376	R	98.3	Very high	98.1	Very high	171 Å²	171	70.3 Å²	70.3	65%	0.645	34%	0.336	S	S	*	.	S	Bend	trans	-79	125	174.8	-176.6	171.2	-68.4	167.3	-2.3	109	N264 M267 D378	N264-R376 WeakPolarHBondContact OD1-CA 3.42Å; N264-R376 WeakPolarHBondContact OD1-CB 3.44Å; M267-R376 HydrophobicContact CE-CG 3.88Å; M267-R376 HydrophobicContact SD-CG 3.75Å; R376-D378 PolarHBondContact O-N 3.05Å
377	P	97.3	Very high	98.1	Very high	5 Å²	5	68.7 Å²	68.7	3%	0.032	33%	0.329	C	S	.	.			trans	-58.6	125.5	173	-22	33.2	0	0	0	110.6	M267 M268 A373 A381 L382	M267-P377 HydrophobicContact CB-CG 4.46Å; M267-P377 WeakPolarHBondContact CE-O 3.48Å; M268-P377 HydrophobicContact CG-CG 3.76Å; A373-P377 HydrophobicContact CB-CG 4.29Å; P377-A381 HydrophobicContact CB-CB 3.81Å; P377-L382 HydrophobicContact CB-CD2 3.83Å; P377-L382 HydrophobicContact CB-CG 3.92Å; P377-L382 HydrophobicContact CG-CD2 4.5Å
378	D	96.1	Very high	98.1	Very high	101 Å²	101	67.3 Å²	67.3	54%	0.54	32%	0.322	S	S	.	.			trans	-81	-173.5	163.9	57.4	18.2	0	0	0	110.2	R376 D380 A381 L382	R376-D378 PolarHBondContact O-N 3.05Å; D378-D380 VanDerWaalsContact C-N 3.34Å; D378-D380 PolarHBondContact O-N 2.71Å; D378-D380 PolarHBondContact OD1-N 2.75Å; D378-A381 PolarHBondContact O-N 3.32Å; D378-A381 VanDerWaalsContact OD1-CB 3.27Å; D378-A381 WeakPolarHBondContact OD1-CB 3.43Å; D378-A381 PolarHBondContact OD1-N 2.93Å; D378-L382 WeakPolarHBondContact O-CB 3.43Å; D378-L382 VanDerWaalsContact O-CG 3.28Å; D378-L382 WeakPolarHBondContact O-CG 3.38Å; D378-L382 PolarHBondContact O-N 3.41Å
379	Q	96.1	Very high	98.1	Very high	111 Å²	111	66.7 Å²	66.7	52%	0.519	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-40.3	-177.1	-68.7	-61.2	-16.9	0	0	113.1	L382 E383	Q379-L382 PolarHBondContact O-N 3.07Å; Q379-E383 PolarHBondContact O-N 2.91Å
380	D	97.6	Very high	98.1	Very high	128 Å²	128	64.2 Å²	64.2	68%	0.684	30%	0.302	S	S	*	.	H	α-helix	trans	-66.4	-44.1	178.3	-65.8	-25	0	0	0	110.6	D378 L382 E383 L384	D378-D380 VanDerWaalsContact C-N 3.34Å; D378-D380 PolarHBondContact O-N 2.71Å; D378-D380 PolarHBondContact OD1-N 2.75Å; D380-L382 VanDerWaalsContact C-N 3.33Å; D380-L382 PolarHBondContact O-N 3.1Å; D380-E383 PolarHBondContact O-N 3.07Å; D380-L384 PolarHBondContact O-N 3.12Å; D380-L384 VanDerWaalsContact O-N 3.09Å
381	A	97.1	Very high	98.1	Very high	22 Å²	22	65.5 Å²	65.5	18%	0.182	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-34.7	176.1	0	0	0	0	0	112.5	P377 D378 L384 C385	P377-A381 HydrophobicContact CB-CB 3.81Å; D378-A381 PolarHBondContact O-N 3.32Å; D378-A381 VanDerWaalsContact OD1-CB 3.27Å; D378-A381 WeakPolarHBondContact OD1-CB 3.43Å; D378-A381 PolarHBondContact OD1-N 2.93Å; A381-L384 PolarHBondContact O-N 3.01Å; A381-C385 PolarHBondContact O-N 3.22Å; A381-C385 PolarHBondContact O-SG 2.88Å
382	L	98.4	Very high	98.1	Very high	25 Å²	25	64.5 Å²	64.5	13%	0.131	30%	0.299	C	S	.	.	H	α-helix	trans	-67.3	-37	173.6	-73.1	173.8	0	0	0	112.1	M267 A271 P377 D378 Q379 D380 L384 C385 R386	M267-L382 HydrophobicContact CB-CD2 4.13Å; M267-L382 HydrophobicContact CE-CD1 4.3Å; M267-L382 HydrophobicContact CE-CD2 4.45Å; A271-L382 HydrophobicContact CB-CD2 4.03Å; P377-L382 HydrophobicContact CB-CD2 3.83Å; P377-L382 HydrophobicContact CB-CG 3.92Å; P377-L382 HydrophobicContact CG-CD2 4.5Å; D378-L382 WeakPolarHBondContact O-CB 3.43Å; D378-L382 VanDerWaalsContact O-CG 3.28Å; D378-L382 WeakPolarHBondContact O-CG 3.38Å; D378-L382 PolarHBondContact O-N 3.41Å; Q379-L382 PolarHBondContact O-N 3.07Å; D380-L382 VanDerWaalsContact C-N 3.33Å; D380-L382 PolarHBondContact O-N 3.1Å; L382-L384 VanDerWaalsContact C-N 3.33Å; L382-C385 WeakPolarHBondContact O-CB 3.18Å; L382-C385 PolarHBondContact O-N 3.2Å; L382-C385 VanDerWaalsContact O-N 3.12Å; L382-R386 PolarHBondContact O-N 2.93Å
383	E	98.6	Very high	98.1	Very high	75 Å²	75	59.7 Å²	59.7	35%	0.35	28%	0.278	S	S	.	.	H	α-helix	trans	-64.7	-39.3	173.8	-174	55.2	-142	0	0	111.6	Q379 D380 C385 R386 E387 R390	Q379-E383 PolarHBondContact O-N 2.91Å; D380-E383 PolarHBondContact O-N 3.07Å; E383-C385 VanDerWaalsContact C-N 3.26Å; E383-C385 PolarHBondContact O-N 3.06Å; E383-R386 PolarHBondContact O-N 3.37Å; E383-R386 IonicContact OE2-CZ 3.7Å; E383-R386 IonicContact OE2-NE 3.91Å; E383-R386 PolarHBondContact OE2-NE 3Å; E383-R386 IonicContact OE2-NH2 2.72Å; E383-R386 PolarHBondContact OE2-NH2 3.04Å; E383-E387 WeakPolarHBondContact O-CB 3.37Å; E383-E387 PolarHBondContact O-N 2.85Å; E383-R390 IonicContact OE1-CZ 3.79Å; E383-R390 IonicContact OE1-NH1 3.22Å; E383-R390 PolarHBondContact OE1-NH1 2.76Å; E383-R390 IonicContact OE1-NH2 3.36Å; E383-R390 PolarHBondContact OE1-NH2 3.3Å; E383-R390 VanDerWaalsContact OE1-NH2 3.07Å
384	L	98.6	Very high	98.1	Very high	120 Å²	120	64.2 Å²	64.2	63%	0.628	29%	0.293	S	S	*	.	H	α-helix	trans	-61.6	-35.2	171.6	-66.7	174.5	0	0	0	112.2	D380 A381 L382 H388	D380-L384 PolarHBondContact O-N 3.12Å; D380-L384 VanDerWaalsContact O-N 3.09Å; A381-L384 PolarHBondContact O-N 3.01Å; L382-L384 VanDerWaalsContact C-N 3.33Å; L384-H388 WeakPolarHBondContact O-CB 3.27Å; L384-H388 PolarHBondContact O-N 3.35Å
385	C	98.7	Very high	98.1	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.007	28%	0.283	C	S	.	.	H	α-helix	trans	-68.4	-42	174.5	-61.4	0	0	0	0	112	A271 I272 L371 A381 L382 E383 H388 G389	A271-C385 HydrophobicContact CB-CB 3.58Å; I272-C385 HydrophobicContact CG1-CB 4.39Å; I272-C385 WeakPolarHBondContact CG1-O 3.32Å; L371-C385 HydrophobicContact CD2-CB 4.04Å; A381-C385 PolarHBondContact O-N 3.22Å; A381-C385 PolarHBondContact O-SG 2.88Å; L382-C385 WeakPolarHBondContact O-CB 3.18Å; L382-C385 PolarHBondContact O-N 3.2Å; L382-C385 VanDerWaalsContact O-N 3.12Å; E383-C385 VanDerWaalsContact C-N 3.26Å; E383-C385 PolarHBondContact O-N 3.06Å; C385-H388 WeakPolarHBondContact O-CB 3.45Å; C385-H388 PolarHBondContact O-N 3.48Å; C385-G389 PolarHBondContact O-N 3.12Å; C385-G389 VanDerWaalsContact O-N 3.1Å
386	R	98.8	Very high	98.2	Very high	26 Å²	26	55 Å²	55	10%	0.098	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-49.2	173.2	-77.1	-173.8	-69.9	-90.9	0.4	110.8	A271 Q274 G275 L382 E383 H388 G389 R390	A271-R386 HydrophobicContact CB-CG 4.05Å; A271-R386 WeakPolarHBondContact O-CA 3.39Å; A271-R386 WeakPolarHBondContact O-CG 3.46Å; Q274-R386 HydrophobicContact CB-CG 4.34Å; G275-R386 WeakPolarHBondContact CA-O 3.35Å; L382-R386 PolarHBondContact O-N 2.93Å; E383-R386 PolarHBondContact O-N 3.37Å; E383-R386 IonicContact OE2-CZ 3.7Å; E383-R386 IonicContact OE2-NE 3.91Å; E383-R386 PolarHBondContact OE2-NE 3Å; E383-R386 IonicContact OE2-NH2 2.72Å; E383-R386 PolarHBondContact OE2-NH2 3.04Å; R386-H388 VanDerWaalsContact C-N 3.28Å; R386-H388 PolarHBondContact O-N 3.13Å; R386-G389 CarbonylContact O-C 3.53Å; R386-G389 VanDerWaalsContact O-CA 3.3Å; R386-G389 WeakPolarHBondContact O-CA 3.43Å; R386-G389 PolarHBondContact O-N 3.01Å; R386-R390 WeakPolarHBondContact O-CG 3.47Å; R386-R390 PolarHBondContact O-N 3.45Å
387	E	98.8	Very high	98.2	Very high	73 Å²	73	48.1 Å²	48.1	34%	0.341	24%	0.237	S	C	.	.	H	α-helix	trans	-60.5	-37.8	179.1	-176.9	55.6	-158.1	0	0	112.3	E383 G389 R390 E391 R394	E383-E387 WeakPolarHBondContact O-CB 3.37Å; E383-E387 PolarHBondContact O-N 2.85Å; E387-G389 VanDerWaalsContact C-N 3.32Å; E387-G389 PolarHBondContact O-N 3.31Å; E387-R390 WeakPolarHBondContact O-CB 3.44Å; E387-R390 PolarHBondContact O-N 3.07Å; E387-R390 VanDerWaalsContact O-N 3.16Å; E387-R390 WeakPolarHBondContact OE2-CD 3.26Å; E387-R390 IonicContact OE2-CZ 3.5Å; E387-R390 IonicContact OE2-NE 3.98Å; E387-R390 IonicContact OE2-NH1 3.75Å; E387-R390 PolarHBondContact OE2-NH1 3.1Å; E387-E391 PolarHBondContact O-N 2.97Å; E387-R394 IonicContact OE1-CZ 3.22Å; E387-R394 IonicContact OE1-NH1 2.86Å; E387-R394 IonicContact OE1-NH2 3.71Å; E387-R394 PolarHBondContact OE1-NH2 2.92Å; E387-R394 IonicContact OE2-NH2 2.62Å
388	H	98.8	Very high	98	Very high	12 Å²	12	52.7 Å²	52.7	6%	0.056	26%	0.261	C	S	.	.	H	α-helix	trans	-59	-43.7	170.8	-172.1	87.5	0	0	0	111.8	S341 L369 L371 L384 C385 R386 R390 E391 I392	S341-H388 PolarHBondContact OG-CE1 3.25Å; S341-H388 PolarHBondContact OG-NE2 3.32Å; L369-H388 PolarHBondContact O-CE1 3.37Å; L371-H388 HydrophobicContact CD1-CB 4.15Å; L371-H388 HydrophobicContact CD2-CB 3.99Å; L371-H388 HydrophobicContact CG-CB 4.49Å; L384-H388 WeakPolarHBondContact O-CB 3.27Å; L384-H388 PolarHBondContact O-N 3.35Å; C385-H388 WeakPolarHBondContact O-CB 3.45Å; C385-H388 PolarHBondContact O-N 3.48Å; R386-H388 VanDerWaalsContact C-N 3.28Å; R386-H388 PolarHBondContact O-N 3.13Å; H388-R390 VanDerWaalsContact C-N 3.35Å; H388-R390 PolarHBondContact O-N 2.96Å; H388-E391 PolarHBondContact O-N 3.39Å; H388-I392 WeakPolarHBondContact O-CB 3.3Å; H388-I392 WeakPolarHBondContact O-CG1 3.42Å; H388-I392 PolarHBondContact O-N 3Å
389	G	98.8	Very high	97.9	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.5	-44.5	172	0	0	0	0	0	113	I272 I276 C385 R386 E387 I392 A393	I272-G389 WeakPolarHBondContact O-CA 3.32Å; I276-G389 WeakPolarHBondContact CG1-O 3.24Å; C385-G389 PolarHBondContact O-N 3.12Å; C385-G389 VanDerWaalsContact O-N 3.1Å; R386-G389 CarbonylContact O-C 3.53Å; R386-G389 VanDerWaalsContact O-CA 3.3Å; R386-G389 WeakPolarHBondContact O-CA 3.43Å; R386-G389 PolarHBondContact O-N 3.01Å; E387-G389 VanDerWaalsContact C-N 3.32Å; E387-G389 PolarHBondContact O-N 3.31Å; G389-I392 PolarHBondContact O-N 2.95Å; G389-A393 WeakPolarHBondContact O-CB 3.22Å; G389-A393 PolarHBondContact O-N 3.16Å
390	R	98.7	Very high	97.7	Very high	42 Å²	42	50.8 Å²	50.8	16%	0.158	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-44.3	177	-54.2	-166.5	-169.6	94.3	8.5	112.2	E278 T279 E383 R386 E387 H388 A393 R394	E278-R390 IonicContact OE1-CZ 3.37Å; E278-R390 IonicContact OE1-NE 2.78Å; E278-R390 PolarHBondContact OE1-NE 3.19Å; E278-R390 IonicContact OE1-NH2 3.52Å; E278-R390 PolarHBondContact OE1-NH2 3.11Å; T279-R390 HydrophobicContact CG2-CB 4.48Å; T279-R390 WeakPolarHBondContact OG1-CA 3.37Å; T279-R390 VanDerWaalsContact OG1-CB 3.26Å; T279-R390 WeakPolarHBondContact OG1-CB 3.34Å; T279-R390 VanDerWaalsContact OG1-CG 3.23Å; T279-R390 WeakPolarHBondContact OG1-CG 3.44Å; E383-R390 IonicContact OE1-CZ 3.79Å; E383-R390 IonicContact OE1-NH1 3.22Å; E383-R390 PolarHBondContact OE1-NH1 2.76Å; E383-R390 IonicContact OE1-NH2 3.36Å; E383-R390 PolarHBondContact OE1-NH2 3.3Å; E383-R390 VanDerWaalsContact OE1-NH2 3.07Å; R386-R390 WeakPolarHBondContact O-CG 3.47Å; R386-R390 PolarHBondContact O-N 3.45Å; E387-R390 WeakPolarHBondContact O-CB 3.44Å; E387-R390 PolarHBondContact O-N 3.07Å; E387-R390 VanDerWaalsContact O-N 3.16Å; E387-R390 WeakPolarHBondContact OE2-CD 3.26Å; E387-R390 IonicContact OE2-CZ 3.5Å; E387-R390 IonicContact OE2-NE 3.98Å; E387-R390 IonicContact OE2-NH1 3.75Å; E387-R390 PolarHBondContact OE2-NH1 3.1Å; H388-R390 VanDerWaalsContact C-N 3.35Å; H388-R390 PolarHBondContact O-N 2.96Å; R390-A393 PolarHBondContact O-N 3.3Å; R390-R394 WeakPolarHBondContact O-CG 3.47Å; R390-R394 PolarHBondContact O-N 3.11Å; R390-R394 PolarHBondContact O-NE 3.32Å
391	E	98.7	Very high	97.3	Very high	60 Å²	60	46.8 Å²	46.8	28%	0.28	25%	0.246	S	C	.	.	H	α-helix	trans	-66.6	-41.5	179.9	-178.6	56.7	-160.1	0	0	111.2	E387 H388 A393 R394 Q395	E387-E391 PolarHBondContact O-N 2.97Å; H388-E391 PolarHBondContact O-N 3.39Å; E391-A393 PolarHBondContact O-N 3.02Å; E391-R394 PolarHBondContact O-N 3.17Å; E391-R394 IonicContact OE2-CZ 3.25Å; E391-R394 VanDerWaalsContact OE2-CZ 3.31Å; E391-R394 IonicContact OE2-NE 3.48Å; E391-R394 IonicContact OE2-NH1 3.29Å; E391-R394 PolarHBondContact OE2-NH1 3.09Å; E391-Q395 HydrophobicContact CG-CG 4.42Å; E391-Q395 WeakPolarHBondContact O-CB 3.38Å; E391-Q395 VanDerWaalsContact O-CG 3.28Å; E391-Q395 WeakPolarHBondContact O-CG 3.35Å; E391-Q395 PolarHBondContact O-N 2.78Å; E391-Q395 WeakPolarHBondContact OE1-CG 3.43Å; E391-Q395 PolarHBondContact OE1-NE2 3.37Å
392	I	98.7	Very high	96.3	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-45.2	173.8	-70.7	-70.2	0	0	0	111.1	I254 L309 H388 G389 R394 Q395 W396	I254-I392 HydrophobicContact CD1-CG2 4.4Å; L309-I392 HydrophobicContact CD1-CG2 4.27Å; L309-I392 HydrophobicContact CD2-CG1 4.24Å; L309-I392 HydrophobicContact CD2-CG2 4.43Å; H388-I392 WeakPolarHBondContact O-CB 3.3Å; H388-I392 WeakPolarHBondContact O-CG1 3.42Å; H388-I392 PolarHBondContact O-N 3Å; G389-I392 PolarHBondContact O-N 2.95Å; I392-R394 VanDerWaalsContact C-N 3.35Å; I392-R394 PolarHBondContact O-N 3.46Å; I392-Q395 PolarHBondContact O-N 2.84Å; I392-W396 HydrophobicContact CD1-CH2 4.37Å; I392-W396 HydrophobicContact CD1-CZ2 3.78Å; I392-W396 HydrophobicContact CG2-CD2 3.68Å; I392-W396 HydrophobicContact CG2-CE3 3.59Å; I392-W396 HydrophobicContact CG2-CG 4.28Å; I392-W396 HydrophobicContact CG2-CH2 3.96Å; I392-W396 HydrophobicContact CG2-CZ2 4.07Å; I392-W396 HydrophobicContact CG2-CZ3 3.72Å; I392-W396 VanDerWaalsContact O-CB 3.27Å; I392-W396 WeakPolarHBondContact O-CB 3.45Å; I392-W396 PolarHBondContact O-N 2.83Å
393	A	98.5	Very high	94.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.7	-42.9	176.7	0	0	0	0	0	112.3	I276 T279 D280 G389 R390 E391 W396 A397	I276-A393 HydrophobicContact CB-CB 4.46Å; I276-A393 HydrophobicContact CG1-CB 4.45Å; I276-A393 HydrophobicContact CG2-CB 4.3Å; T279-A393 HydrophobicContact CG2-CB 3.86Å; D280-A393 HydrophobicContact CB-CB 4.23Å; G389-A393 WeakPolarHBondContact O-CB 3.22Å; G389-A393 PolarHBondContact O-N 3.16Å; R390-A393 PolarHBondContact O-N 3.3Å; E391-A393 PolarHBondContact O-N 3.02Å; A393-W396 PolarHBondContact O-N 3.21Å; A393-A397 PolarHBondContact O-N 3.21Å
394	R	98.3	Very high	92.5	Very high	106 Å²	106	59.7 Å²	59.7	40%	0.4	32%	0.322	S	S	.	.	H	α-helix	trans	-60.1	-50.5	173.7	-81.2	175.4	-94.1	161.8	-20	112.2	T279 E387 R390 E391 I392 W396 L401	T279-R394 HydrophobicContact CG2-CG 3.97Å; E387-R394 IonicContact OE1-CZ 3.22Å; E387-R394 IonicContact OE1-NH1 2.86Å; E387-R394 IonicContact OE1-NH2 3.71Å; E387-R394 PolarHBondContact OE1-NH2 2.92Å; E387-R394 IonicContact OE2-NH2 2.62Å; R390-R394 WeakPolarHBondContact O-CG 3.47Å; R390-R394 PolarHBondContact O-N 3.11Å; R390-R394 PolarHBondContact O-NE 3.32Å; E391-R394 PolarHBondContact O-N 3.17Å; E391-R394 IonicContact OE2-CZ 3.25Å; E391-R394 VanDerWaalsContact OE2-CZ 3.31Å; E391-R394 IonicContact OE2-NE 3.48Å; E391-R394 IonicContact OE2-NH1 3.29Å; E391-R394 PolarHBondContact OE2-NH1 3.09Å; I392-R394 VanDerWaalsContact C-N 3.35Å; I392-R394 PolarHBondContact O-N 3.46Å; R394-W396 VanDerWaalsContact C-N 3.29Å; R394-W396 PolarHBondContact O-N 2.68Å; R394-L401 HydrophobicContact CB-CD1 4.42Å; R394-L401 HydrophobicContact CG-CD1 3.82Å
395	Q	98.3	Very high	89.5	Confident	69 Å²	69	59.6 Å²	59.6	32%	0.322	33%	0.326	S	S	.	.	H	α-helix	trans	-64.9	-34.7	-177.8	-72.5	-180	11.3	0	0	112.2	R339 E391 I392	R339-Q395 PolarHBondContact NH1-O 2.71Å; E391-Q395 HydrophobicContact CG-CG 4.42Å; E391-Q395 WeakPolarHBondContact O-CB 3.38Å; E391-Q395 VanDerWaalsContact O-CG 3.28Å; E391-Q395 WeakPolarHBondContact O-CG 3.35Å; E391-Q395 PolarHBondContact O-N 2.78Å; E391-Q395 WeakPolarHBondContact OE1-CG 3.43Å; E391-Q395 PolarHBondContact OE1-NE2 3.37Å; I392-Q395 PolarHBondContact O-N 2.84Å
396	W	98.6	Very high	86.6	Confident	8 Å²	8	65.1 Å²	65.1	3%	0.03	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	8.4	-171.5	-60	10.7	0	0	0	113	I254 K306 V308 L309 R339 S368 I392 A393 R394 L398	I254-W396 HydrophobicContact CD1-CE3 3.72Å; I254-W396 HydrophobicContact CD1-CZ3 4.19Å; I254-W396 HydrophobicContact CG1-CE3 4.17Å; I254-W396 HydrophobicContact CG1-CZ3 4.44Å; K306-W396 WeakPolarHBondContact CD-O 3.45Å; K306-W396 VanDerWaalsContact CE-O 3.22Å; K306-W396 WeakPolarHBondContact CE-O 3.46Å; K306-W396 PolarHBondContact NZ-O 3.32Å; V308-W396 WeakPolarHBondContact O-CH2 3.43Å; L309-W396 HydrophobicContact CD1-CH2 4.19Å; L309-W396 HydrophobicContact CD1-CZ3 3.94Å; L309-W396 HydrophobicContact CG-CH2 4.35Å; R339-W396 HydrophobicContact CB-CD2 3.99Å; R339-W396 HydrophobicContact CB-CE3 4.47Å; R339-W396 HydrophobicContact CB-CH2 4.25Å; R339-W396 HydrophobicContact CB-CZ2 3.71Å; R339-W396 VanDerWaalsContact CZ-CD1 3.44Å; S368-W396 PolarHBondContact OG-NE1 2.71Å; I392-W396 HydrophobicContact CD1-CH2 4.37Å; I392-W396 HydrophobicContact CD1-CZ2 3.78Å; I392-W396 HydrophobicContact CG2-CD2 3.68Å; I392-W396 HydrophobicContact CG2-CE3 3.59Å; I392-W396 HydrophobicContact CG2-CG 4.28Å; I392-W396 HydrophobicContact CG2-CH2 3.96Å; I392-W396 HydrophobicContact CG2-CZ2 4.07Å; I392-W396 HydrophobicContact CG2-CZ3 3.72Å; I392-W396 VanDerWaalsContact O-CB 3.27Å; I392-W396 WeakPolarHBondContact O-CB 3.45Å; I392-W396 PolarHBondContact O-N 2.83Å; A393-W396 PolarHBondContact O-N 3.21Å; R394-W396 VanDerWaalsContact C-N 3.29Å; R394-W396 PolarHBondContact O-N 2.68Å; W396-L398 PolarHBondContact O-N 3.33Å
397	A	97.9	Very high	83.5	Confident	26 Å²	26	70 Å²	70	22%	0.215	39%	0.388	C	S	.	.			trans	-60.7	127	176.5	0	0	0	0	0	110.8	A393 A399 L401	A393-A397 PolarHBondContact O-N 3.21Å; A397-A399 VanDerWaalsContact C-N 3.29Å; A397-A399 PolarHBondContact O-N 2.87Å; A397-L401 HydrophobicContact CB-CD1 4.39Å; A397-L401 HydrophobicContact CB-CD2 4.23Å; A397-L401 HydrophobicContact CB-CG 3.98Å
398	L	94.6	Very high	80.3	Confident	101 Å²	101	71.2 Å²	71.2	53%	0.529	41%	0.405	S	S	.	.	S	Bend	trans	-72	-28.1	179.9	-62.2	-177.8	0	0	0	112.2	D252 K306 W396	D252-L398 HydrophobicContact CB-CD1 3.81Å; K306-L398 HydrophobicContact CB-CD2 4.5Å; K306-L398 HydrophobicContact CD-CD1 4.42Å; K306-L398 HydrophobicContact CD-CD2 3.85Å; K306-L398 HydrophobicContact CD-CG 3.95Å; W396-L398 PolarHBondContact O-N 3.33Å
399	A	92.7	Very high	77.1	Confident	46 Å²	46	76.8 Å²	76.8	38%	0.38	44%	0.439	S	S	.	.	S	Bend	trans	-137	154.5	174.9	0	0	0	0	0	109.1	R282 A397 L401	R282-A399 PolarHBondContact NH1-O 2.88Å; R282-A399 PolarHBondContact NH2-O 2.74Å; A397-A399 VanDerWaalsContact C-N 3.29Å; A397-A399 PolarHBondContact O-N 2.87Å; A399-L401 PolarHBondContact O-N 2.85Å
400	P	91.8	Very high	73.8	Confident	126 Å²	126	82.2 Å²	82.2	82%	0.818	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-46.7	133.4	-180	-28.4	34.7	0	0	0	112.1
401	L	89.7	Confident	70.5	Confident	44 Å²	44	89.6 Å²	89.6	23%	0.23	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-70.4	146.2	174.6	-68	170.6	0	0	0	109.5	T279 D280 R282 R394 A397 A399 Q403	T279-L401 HydrophobicContact CG2-CD1 3.95Å; D280-L401 HydrophobicContact CB-CD2 3.59Å; D280-L401 WeakPolarHBondContact OD2-CD2 3.46Å; R282-L401 VanDerWaalsContact NH2-CD2 3.32Å; R394-L401 HydrophobicContact CB-CD1 4.42Å; R394-L401 HydrophobicContact CG-CD1 3.82Å; A397-L401 HydrophobicContact CB-CD1 4.39Å; A397-L401 HydrophobicContact CB-CD2 4.23Å; A397-L401 HydrophobicContact CB-CG 3.98Å; A399-L401 PolarHBondContact O-N 2.85Å; L401-Q403 PolarHBondContact O-N 3.45Å
402	P	76.6	Confident	66.9	Low	110 Å²	110	94.6 Å²	94.6	71%	0.714	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-54.1	128.1	169	-14.8	26.4	0	0	0	108.1	S404	P402-S404 PolarHBondContact O-N 2.87Å
403	Q	62.2	Low	63.4	Low	186 Å²	186	104 Å²	104	87%	0.869	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-58.1	119.9	171.6	-78.5	-176.4	-13.6	0	0	107.1	L401 T405	L401-Q403 PolarHBondContact O-N 3.45Å; Q403-T405 VanDerWaalsContact C-N 3.35Å; Q403-T405 PolarHBondContact O-N 2.93Å
404	S	55.2	Low	60.1	Low	97 Å²	97	109.8 Å²	109.8	68%	0.678	61%	0.608	S	S	*	*			trans	-50.8	108.1	161	160.9	0	0	0	0	106.1	P402 V406	P402-S404 PolarHBondContact O-N 2.87Å; S404-V406 PolarHBondContact O-N 3.36Å
405	T	35.2	Very low	56.8	Low	118 Å²	118	109.2 Å²	109.2	72%	0.724	62%	0.62	S	S	*	*			trans	-62.6	92.7	161	41.5	0	0	0	0	104.5	Q403 N407	Q403-T405 VanDerWaalsContact C-N 3.35Å; Q403-T405 PolarHBondContact O-N 2.93Å; T405-N407 PolarHBondContact O-N 2.8Å
406	V	36.9	Very low	53.6	Low	117 Å²	117	111 Å²	111	71%	0.709	65%	0.646	S	S	*	*			trans	-61.6	86.1	157.1	-175.3	0	0	0	0	103.8	S404 S408	S404-V406 PolarHBondContact O-N 3.36Å; V406-S408 PolarHBondContact O-N 3.11Å
407	N	34.9	Very low	50.2	Low	129 Å²	129	116 Å²	116	69%	0.69	68%	0.678	S	S	*	*			trans	-54.9	101	151	-83.2	-21	0	0	0	103	T405 V409	T405-N407 PolarHBondContact O-N 2.8Å; N407-V409 PolarHBondContact O-N 3.09Å
408	S	31.2	Very low	47.2	Very low	99 Å²	99	120.9 Å²	120.9	69%	0.692	71%	0.705	S	S	*	*			trans	-60	84.7	162.5	33.6	0	0	0	0	104.8	V406 V410	V406-S408 PolarHBondContact O-N 3.11Å; S408-V410 PolarHBondContact O-N 3.41Å
409	V	31.3	Very low	44.7	Very low	128 Å²	128	123.2 Å²	123.2	78%	0.776	72%	0.724	S	S	*	*			trans	-63.2	96.4	158.3	-179.1	0	0	0	0	102.8	N407 K411	N407-V409 PolarHBondContact O-N 3.09Å; V409-K411 PolarHBondContact O-N 2.82Å
410	V	29	Very low	43	Very low	115 Å²	115	124.4 Å²	124.4	70%	0.697	73%	0.734	S	S	*	*			trans	-44.8	114.3	162.2	174.9	0	0	0	0	104.7	S408 E412	S408-V410 PolarHBondContact O-N 3.41Å; V410-E412 PolarHBondContact O-N 3.37Å
411	K	29.1	Very low	42.1	Very low	196 Å²	196	125.8 Å²	125.8	85%	0.852	74%	0.735	S	S	*	*			trans	-59.4	93.6	165	-86.6	-179.8	171.6	179.1	0	105.6	V409 E413	V409-K411 PolarHBondContact O-N 2.82Å; K411-E413 PolarHBondContact O-N 2.97Å
412	E	25	Very low	41.7	Very low	166 Å²	166	126.4 Å²	126.4	78%	0.776	74%	0.738	S	S	*	*			trans	-62.6	112.6	157.7	-91.5	-177.6	155.8	0	0	106	V410 T414	V410-E412 PolarHBondContact O-N 3.37Å; E412-T414 PolarHBondContact O-N 2.96Å
413	E	24.8	Very low	42.1	Very low	196 Å²	196	123 Å²	123	92%	0.916	72%	0.723	S	S	*	*			trans	-61	87.5	162.8	-72.3	179.2	150.9	0	0	107.6	K411 S415	K411-E413 PolarHBondContact O-N 2.97Å; E413-S415 PolarHBondContact O-N 3.32Å
414	T	29.7	Very low	43.4	Very low	123 Å²	123	116.6 Å²	116.6	76%	0.755	70%	0.698	S	S	*	*			trans	-74.8	108.2	167.4	44.4	0	0	0	0	108.5	E412	E412-T414 PolarHBondContact O-N 2.96Å
415	S	28.7	Very low	45.3	Very low	94 Å²	94	116.9 Å²	116.9	66%	0.657	68%	0.684	S	S	*	*			trans	-39.3	134.7	169.6	55.3	0	0	0	0	113.6	E413 T417	E413-S415 PolarHBondContact O-N 3.32Å; S415-T417 PolarHBondContact O-N 3.48Å; S415-T417 VanDerWaalsContact O-N 3.13Å; S415-T417 PolarHBondContact O-OG1 2.68Å
416	A	29.7	Very low	48.1	Very low	105 Å²	105	111.7 Å²	111.7	87%	0.868	65%	0.651	S	S	*	*			trans	-41.3	115.3	165.7	0	0	0	0	0	111.9
417	T	28.8	Very low	50.9	Low	113 Å²	113	108.6 Å²	108.6	69%	0.693	63%	0.629	S	S	*	*			trans	-146.2	117	165.3	17.4	0	0	0	0	110.3	S415	S415-T417 PolarHBondContact O-N 3.48Å; S415-T417 VanDerWaalsContact O-N 3.13Å; S415-T417 PolarHBondContact O-OG1 2.68Å
418	T	34	Very low	53.8	Low	129 Å²	129	102.4 Å²	102.4	79%	0.791	60%	0.596	S	S	*	*			trans	58.6	113.2	155.5	52.3	0	0	0	0	118.8	A420	T418-A420 PolarHBondContact O-N 2.8Å
419	T	41.9	Very low	56.7	Low	150 Å²	150	100.5 Å²	100.5	92%	0.92	58%	0.583	S	S	*	*			trans	-54.2	92.9	161.6	47.7	0	0	0	0	110.2
420	A	56.5	Low	59.6	Low	72 Å²	72	98.6 Å²	98.6	60%	0.595	57%	0.571	S	S	*	*			trans	-73.1	134.9	164.5	0	0	0	0	0	108.3	T418 L422	T418-A420 PolarHBondContact O-N 2.8Å; A420-L422 PolarHBondContact O-N 3.41Å; A420-L422 VanDerWaalsContact O-N 3.17Å
421	D	73.2	Confident	62.6	Low	155 Å²	155	95.4 Å²	95.4	83%	0.829	55%	0.553	S	S	*	*			trans	-68.2	107.4	173.3	-176.3	4.2	0	0	0	108.6	G423	D421-G423 PolarHBondContact O-N 3.4Å; D421-G423 PolarHBondContact OD1-N 3.4Å
422	L	82	Confident	65.6	Low	56 Å²	56	91.2 Å²	91.2	29%	0.293	54%	0.537	S	S	.	.			trans	-82.6	7.4	-175.7	-61.1	176.5	0	0	0	113.1	A420 P437 A438 G449	A420-L422 PolarHBondContact O-N 3.41Å; A420-L422 VanDerWaalsContact O-N 3.17Å; L422-P437 HydrophobicContact CB-CB 3.6Å; L422-P437 HydrophobicContact CB-CG 4.44Å; L422-P437 HydrophobicContact CD1-CB 4.27Å; L422-A438 HydrophobicContact CD1-CB 4.18Å; L422-G449 WeakPolarHBondContact CD2-O 3.34Å
423	G	85	Confident	68.9	Low	38 Å²	38	85.8 Å²	85.8	39%	0.392	51%	0.509	S	S	.	.			trans	78.9	-176	-177.5	0	0	0	0	0	113.6	D421	D421-G423 PolarHBondContact O-N 3.4Å; D421-G423 PolarHBondContact OD1-N 3.4Å
424	P	89.5	Confident	72.2	Confident	53 Å²	53	79 Å²	79	34%	0.344	48%	0.479	S	S	.	.			trans	-70.5	151.6	-175.2	29.2	-34.2	0	0	0	111.9	M426 E473	P424-M426 HydrophobicContact CG-SD 4.34Å; P424-E473 HydrophobicContact CB-CG 4.26Å; P424-E473 HydrophobicContact CG-CG 3.91Å
425	R	94	Very high	75.4	Confident	102 Å²	102	73.1 Å²	73.1	39%	0.385	44%	0.443	S	S	.	.			trans	-72.2	144.1	162	-64	-176.5	70.3	-179.8	1.5	108.2	I434 Y435 D436 L474	R425-I434 HydrophobicContact CB-CG2 3.92Å; R425-Y435 WeakPolarHBondContact CA-O 3.22Å; R425-Y435 WeakPolarHBondContact CB-O 3.47Å; R425-D436 IonicContact CZ-OD2 3.69Å; R425-D436 IonicContact NE-OD2 2.64Å; R425-D436 IonicContact NH1-OD2 3.68Å; R425-D436 IonicContact NH2-OD2 3.95Å; R425-L474 HydrophobicContact CB-CB 4.28Å; R425-L474 HydrophobicContact CB-CD2 4.14Å; R425-L474 VanDerWaalsContact O-CB 3.22Å; R425-L474 WeakPolarHBondContact O-CB 3.39Å; R425-L474 PolarHBondContact O-N 3.28Å
426	M	95.5	Very high	78.5	Confident	9 Å²	9	70.1 Å²	70.1	4%	0.044	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.2	-177.4	-57.1	-75.6	-55.5	0	0	109.4	P424 I434 Y435 W452 F471 D472 E473	P424-M426 HydrophobicContact CG-SD 4.34Å; M426-I434 CarbonylContact O-C 3.38Å; M426-I434 VanDerWaalsContact O-CA 3.25Å; M426-I434 WeakPolarHBondContact O-CA 3.28Å; M426-Y435 PolarHBondContact N-O 3.07Å; M426-Y435 VanDerWaalsContact N-O 3.12Å; M426-Y435 PolarHBondContact O-N 2.97Å; M426-W452 HydrophobicContact CB-CD2 4.09Å; M426-W452 HydrophobicContact CB-CE3 4.04Å; M426-W452 HydrophobicContact CB-CH2 4.41Å; M426-W452 HydrophobicContact CB-CZ2 4.46Å; M426-W452 HydrophobicContact CB-CZ3 4.2Å; M426-W452 HydrophobicContact CE-CD2 4.27Å; M426-W452 HydrophobicContact CE-CG 4.18Å; M426-W452 HydrophobicContact CE-CZ2 4.33Å; M426-W452 HydrophobicContact CG-CB 3.82Å; M426-W452 HydrophobicContact CG-CD2 3.43Å; M426-W452 VanDerWaalsContact CG-CD2 3.43Å; M426-W452 HydrophobicContact CG-CE3 3.73Å; M426-W452 HydrophobicContact CG-CG 3.46Å; M426-W452 VanDerWaalsContact CG-CG 3.46Å; M426-W452 HydrophobicContact CG-CZ3 4.38Å; M426-W452 HydrophobicContact SD-CB 4.31Å; M426-W452 HydrophobicContact SD-CD2 4.31Å; M426-W452 HydrophobicContact SD-CG 3.9Å; M426-F471 HydrophobicContact CB-CB 4.29Å; M426-F471 HydrophobicContact CB-CD1 3.89Å; M426-F471 HydrophobicContact CE-CB 3.99Å; M426-F471 WeakPolarHBondContact CE-O 3.42Å; M426-D472 CarbonylContact C-O 3.15Å; M426-D472 WeakPolarHBondContact CA-O 3.15Å; M426-E473 HydrophobicContact CE-CG 4.3Å; M426-E473 HydrophobicContact SD-CB 4.35Å; M426-E473 HydrophobicContact SD-CG 3.68Å
427	Q	95.2	Very high	81.6	Confident	52 Å²	52	65.2 Å²	65.2	24%	0.243	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.6	-179.3	-173.1	172.4	24.2	0	0	110	S429 W433 I434 F471 D472 L474	Q427-S429 PolarHBondContact O-N 3.12Å; Q427-W433 WeakPolarHBondContact CA-O 3.36Å; Q427-I434 HydrophobicContact CB-CG1 4.4Å; Q427-I434 HydrophobicContact CG-CG1 4.17Å; Q427-F471 WeakPolarHBondContact O-CA 3.4Å; Q427-D472 PolarHBondContact N-O 3Å; Q427-D472 PolarHBondContact O-N 3.22Å; Q427-L474 HydrophobicContact CB-CB 4.43Å; Q427-L474 HydrophobicContact CB-CD1 3.93Å; Q427-L474 HydrophobicContact CG-CD1 4.31Å
428	C	95	Very high	84.6	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	117.4	170.7	177.9	0	0	0	0	109.2	V430 C431 Q432 W433 C464 F471	C428-V430 PolarHBondContact O-N 3.33Å; C428-C431 VanDerWaalsContact SG-SG 3.67Å; C428-Q432 WeakPolarHBondContact O-CA 3.41Å; C428-Q432 PolarHBondContact O-N 2.85Å; C428-Q432 PolarHBondContact O-OE1 3.26Å; C428-W433 HydrophobicContact CB-CB 4.5Å; C428-W433 PolarHBondContact N-O 3.11Å; C428-C464 VanDerWaalsContact SG-SG 3.64Å; C428-F471 HydrophobicContact CB-CD1 4.23Å; C428-F471 HydrophobicContact CB-CE1 3.81Å; C428-F471 HydrophobicContact CB-CE2 4.18Å; C428-F471 HydrophobicContact CB-CZ 3.77Å
429	S	92.8	Very high	87.4	Confident	59 Å²	59	63.4 Å²	63.4	41%	0.413	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.3	179.9	59.4	0	0	0	0	114.3	Q427 V470 D472	Q427-S429 PolarHBondContact O-N 3.12Å; S429-V470 WeakPolarHBondContact CB-O 3.29Å; S429-V470 PolarHBondContact N-O 3.13Å; S429-V470 PolarHBondContact OG-O 3.41Å; S429-D472 WeakPolarHBondContact CB-OD2 3Å
430	V	92.1	Very high	89.8	Confident	87 Å²	87	56.5 Å²	56.5	53%	0.527	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-51.2	-175.9	-179.3	0	0	0	0	112.7	C428 L466 V470	C428-V430 PolarHBondContact O-N 3.33Å; V430-L466 HydrophobicContact CB-CD1 4.05Å; V430-L466 HydrophobicContact CG1-CD1 3.95Å; V430-L466 HydrophobicContact CG2-CD1 3.62Å; V430-V470 HydrophobicContact CG2-CB 4.43Å; V430-V470 HydrophobicContact CG2-CG2 4.49Å
431	C	92	Very high	91.6	Very high	48 Å²	48	54.3 Å²	54.3	32%	0.324	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	1.2	-174.7	72.8	0	0	0	0	113.8	C428 W433 C461 E463 C464	C428-C431 VanDerWaalsContact SG-SG 3.67Å; C431-W433 PolarHBondContact O-N 3.46Å; C431-C461 PolarHBondContact SG-SG 3Å; C431-E463 HydrophobicContact CB-CB 4.34Å; C431-E463 VanDerWaalsContact SG-CB 3.55Å; C431-C464 HydrophobicContact CB-CB 3.98Å
432	Q	93	Very high	92.4	Very high	108 Å²	108	50.7 Å²	50.7	51%	0.505	28%	0.283	S	S	.	.			trans	64.6	15.6	177.4	-50.7	-65.3	18	0	0	115.6	C428	C428-Q432 WeakPolarHBondContact O-CA 3.41Å; C428-Q432 PolarHBondContact O-N 2.85Å; C428-Q432 PolarHBondContact O-OE1 3.26Å
433	W	93.5	Very high	92.5	Very high	52 Å²	52	53.3 Å²	53.3	20%	0.197	30%	0.295	C	S	.	.			trans	-66.2	139.2	171.7	-175.2	89.8	0	0	0	110.4	Q427 C428 C431 Y435 E441 F459 P462 E463 F471	Q427-W433 WeakPolarHBondContact CA-O 3.36Å; C428-W433 HydrophobicContact CB-CB 4.5Å; C428-W433 PolarHBondContact N-O 3.11Å; C431-W433 PolarHBondContact O-N 3.46Å; W433-Y435 HydrophobicContact CH2-CD2 4.04Å; W433-Y435 HydrophobicContact CZ3-CD2 4.2Å; W433-Y435 HydrophobicContact CZ3-CG 4.47Å; W433-E441 WeakPolarHBondContact CZ2-OE2 3.41Å; W433-F459 HydrophobicContact CH2-CZ 4.27Å; W433-F459 AromaticContact CZ3-CZ 3.97Å; W433-F459 HydrophobicContact CZ3-CZ 3.97Å; W433-P462 HydrophobicContact CD2-CG 4.33Å; W433-P462 HydrophobicContact CE3-CG 4.46Å; W433-P462 HydrophobicContact CH2-CG 3.9Å; W433-P462 HydrophobicContact CZ2-CG 3.74Å; W433-P462 HydrophobicContact CZ3-CG 4.25Å; W433-E463 HydrophobicContact CB-CB 4.28Å; W433-E463 HydrophobicContact CB-CG 3.88Å; W433-E463 VanDerWaalsContact CD1-CG 3.49Å; W433-E463 HydrophobicContact CG-CG 3.9Å; W433-F471 AromaticContact CE3-CE1 3.77Å; W433-F471 HydrophobicContact CE3-CE1 3.77Å; W433-F471 AromaticContact CE3-CZ 3.92Å; W433-F471 HydrophobicContact CE3-CZ 3.92Å; W433-F471 AromaticContact CZ3-CE1 3.99Å; W433-F471 HydrophobicContact CZ3-CE1 3.99Å; W433-F471 HydrophobicContact CZ3-CZ 4.13Å
434	I	95.2	Very high	92.8	Very high	54 Å²	54	54.1 Å²	54.1	28%	0.277	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.6	-174.4	-60.4	168.9	0	0	0	110	R425 M426 Q427 D436 L474	R425-I434 HydrophobicContact CB-CG2 3.92Å; M426-I434 CarbonylContact O-C 3.38Å; M426-I434 VanDerWaalsContact O-CA 3.25Å; M426-I434 WeakPolarHBondContact O-CA 3.28Å; Q427-I434 HydrophobicContact CB-CG1 4.4Å; Q427-I434 HydrophobicContact CG-CG1 4.17Å; I434-D436 PolarHBondContact O-N 3.31Å; I434-L474 HydrophobicContact CD1-CD1 4.31Å; I434-L474 HydrophobicContact CD1-CD2 3.94Å; I434-L474 HydrophobicContact CG1-CD2 4.45Å; I434-L474 HydrophobicContact CG2-CD2 4.08Å
435	Y	95.3	Very high	92.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	124.6	163.9	-178	-102.8	0	0	0	109.9	R425 M426 W433 P437 V446 T450 W452 V455 F459	R425-Y435 WeakPolarHBondContact CA-O 3.22Å; R425-Y435 WeakPolarHBondContact CB-O 3.47Å; M426-Y435 PolarHBondContact N-O 3.07Å; M426-Y435 VanDerWaalsContact N-O 3.12Å; M426-Y435 PolarHBondContact O-N 2.97Å; W433-Y435 HydrophobicContact CH2-CD2 4.04Å; W433-Y435 HydrophobicContact CZ3-CD2 4.2Å; W433-Y435 HydrophobicContact CZ3-CG 4.47Å; Y435-P437 HydrophobicContact CD1-CG 4.18Å; Y435-P437 HydrophobicContact CE1-CB 4.23Å; Y435-P437 HydrophobicContact CE1-CG 3.85Å; Y435-V446 HydrophobicContact CE2-CG1 4Å; Y435-V446 VanDerWaalsContact OH-CG1 3.29Å; Y435-V446 WeakPolarHBondContact OH-CG1 3.37Å; Y435-T450 PolarHBondContact OH-O 2.87Å; Y435-W452 AromaticContact CD1-CE3 3.4Å; Y435-W452 HydrophobicContact CD1-CE3 3.4Å; Y435-W452 VanDerWaalsContact CD1-CE3 3.4Å; Y435-W452 AromaticContact CD1-CZ3 3.85Å; Y435-W452 HydrophobicContact CD1-CZ3 3.85Å; Y435-W452 HydrophobicContact CD2-CE3 4.34Å; Y435-W452 HydrophobicContact CD2-CZ3 4.05Å; Y435-W452 AromaticContact CE1-CE3 3.82Å; Y435-W452 HydrophobicContact CE1-CE3 3.82Å; Y435-W452 HydrophobicContact CE1-CZ3 4.47Å; Y435-W452 AromaticContact CG-CE3 3.69Å; Y435-W452 HydrophobicContact CG-CE3 3.69Å; Y435-W452 AromaticContact CG-CZ3 3.6Å; Y435-W452 HydrophobicContact CG-CZ3 3.6Å; Y435-V455 HydrophobicContact CE1-CG2 3.98Å; Y435-V455 HydrophobicContact CE2-CG2 4.07Å; Y435-V455 WeakPolarHBondContact OH-CG2 3.37Å; Y435-F459 HydrophobicContact CD2-CZ 4.46Å
436	D	94.9	Very high	92.7	Very high	31 Å²	31	54.4 Å²	54.4	17%	0.166	30%	0.295	C	S	.	.			trans	-113	110.3	173.9	-173.1	-16	0	0	0	108.5	R425 I434 A438 K439 G440	R425-D436 IonicContact CZ-OD2 3.69Å; R425-D436 IonicContact NE-OD2 2.64Å; R425-D436 IonicContact NH1-OD2 3.68Å; R425-D436 IonicContact NH2-OD2 3.95Å; I434-D436 PolarHBondContact O-N 3.31Å; D436-A438 PolarHBondContact O-N 2.88Å; D436-A438 VanDerWaalsContact O-N 3.07Å; D436-A438 WeakPolarHBondContact OD1-CB 3.27Å; D436-A438 PolarHBondContact OD1-N 3.05Å; D436-K439 HydrophobicContact CB-CB 4.23Å; D436-K439 HydrophobicContact CB-CD 4.21Å; D436-K439 HydrophobicContact CB-CG 4.11Å; D436-K439 WeakPolarHBondContact O-CA 3.14Å; D436-K439 PolarHBondContact O-N 2.95Å; D436-G440 PolarHBondContact O-N 3.16Å
437	P	94.2	Very high	92.6	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.013	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-31.1	178.2	-28.2	34.8	0	0	0	113.3	L422 Y435 K439 G449 T450	L422-P437 HydrophobicContact CB-CB 3.6Å; L422-P437 HydrophobicContact CB-CG 4.44Å; L422-P437 HydrophobicContact CD1-CB 4.27Å; Y435-P437 HydrophobicContact CD1-CG 4.18Å; Y435-P437 HydrophobicContact CE1-CB 4.23Å; Y435-P437 HydrophobicContact CE1-CG 3.85Å; P437-K439 PolarHBondContact O-N 2.92Å; P437-G449 CarbonylContact O-C 3.58Å; P437-G449 WeakPolarHBondContact O-CA 3.34Å; P437-G449 PolarHBondContact O-N 3.32Å; P437-T450 PolarHBondContact O-N 3.11Å
438	A	92.3	Very high	92.5	Very high	61 Å²	61	58.4 Å²	58.4	50%	0.504	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.1	177.3	0	0	0	0	0	113.1	L422 D436	L422-A438 HydrophobicContact CD1-CB 4.18Å; D436-A438 PolarHBondContact O-N 2.88Å; D436-A438 VanDerWaalsContact O-N 3.07Å; D436-A438 WeakPolarHBondContact OD1-CB 3.27Å; D436-A438 PolarHBondContact OD1-N 3.05Å
439	K	92.4	Very high	92.4	Very high	142 Å²	142	59.9 Å²	59.9	62%	0.617	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-30.9	177.7	-61.1	-174.7	-177.4	-176.2	0	113	D436 P437 P448	D436-K439 HydrophobicContact CB-CB 4.23Å; D436-K439 HydrophobicContact CB-CD 4.21Å; D436-K439 HydrophobicContact CB-CG 4.11Å; D436-K439 WeakPolarHBondContact O-CA 3.14Å; D436-K439 PolarHBondContact O-N 2.95Å; P437-K439 PolarHBondContact O-N 2.92Å; K439-P448 WeakPolarHBondContact O-CG 3.46Å
440	G	92.9	Very high	92.5	Very high	6 Å²	6	58.2 Å²	58.2	6%	0.062	33%	0.333	C	S	.	.			trans	64	-157.4	-169.5	0	0	0	0	0	112	D436	D436-G440 PolarHBondContact O-N 3.16Å
441	E	94.4	Very high	92.6	Very high	26 Å²	26	55.4 Å²	55.4	12%	0.121	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-143.7	79.4	169.2	-177.9	48.4	-99.7	0	0	109.8	W433 M443 Q444 V446 F459 P462	W433-E441 WeakPolarHBondContact CZ2-OE2 3.41Å; E441-M443 PolarHBondContact O-N 3.12Å; E441-M443 VanDerWaalsContact O-N 3.12Å; E441-M443 WeakPolarHBondContact OE1-CB 3.32Å; E441-M443 PolarHBondContact OE1-N 3.28Å; E441-Q444 HydrophobicContact CG-CB 4.26Å; E441-Q444 HydrophobicContact CG-CG 4.4Å; E441-Q444 CarbonylContact O-C 3.59Å; E441-Q444 PolarHBondContact O-N 3.41Å; E441-V446 CarbonylContact C-O 3.5Å; E441-V446 HydrophobicContact CB-CB 4.15Å; E441-V446 PolarHBondContact N-O 2.94Å; E441-V446 WeakPolarHBondContact O-CB 3.16Å; E441-V446 PolarHBondContact O-N 3.37Å; E441-V446 VanDerWaalsContact O-N 3.08Å; E441-F459 HydrophobicContact CB-CE2 3.73Å; E441-F459 HydrophobicContact CB-CZ 4.42Å; E441-F459 HydrophobicContact CG-CE2 3.79Å; E441-F459 HydrophobicContact CG-CZ 4.44Å; E441-P462 HydrophobicContact CG-CG 3.94Å; E441-P462 VanDerWaalsContact OE2-CG 3.25Å; E441-P462 WeakPolarHBondContact OE2-CG 3.49Å
442	P	88.6	Confident	92.7	Very high	79 Å²	79	54.8 Å²	54.8	51%	0.513	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-61.9	-21.6	-172.6	-25.6	35.7	0	0	0	114.5	Q444 D445	P442-Q444 PolarHBondContact O-N 3.47Å; P442-D445 PolarHBondContact O-N 2.95Å
443	M	85.2	Confident	92.6	Very high	111 Å²	111	54.5 Å²	54.5	55%	0.547	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-70.7	-11.3	176.4	-59.8	-165.4	82.9	0	0	113.1	E441	E441-M443 PolarHBondContact O-N 3.12Å; E441-M443 VanDerWaalsContact O-N 3.12Å; E441-M443 WeakPolarHBondContact OE1-CB 3.32Å; E441-M443 PolarHBondContact OE1-N 3.28Å
444	Q	91.3	Very high	92.6	Very high	55 Å²	55	58.6 Å²	58.6	26%	0.257	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-123.1	29.9	173.8	-66.1	-177.1	65	0	0	111.2	E441 P442 V446 F459 L460	E441-Q444 HydrophobicContact CG-CB 4.26Å; E441-Q444 HydrophobicContact CG-CG 4.4Å; E441-Q444 CarbonylContact O-C 3.59Å; E441-Q444 PolarHBondContact O-N 3.41Å; P442-Q444 PolarHBondContact O-N 3.47Å; Q444-V446 PolarHBondContact O-N 2.94Å; Q444-F459 HydrophobicContact CB-CD2 4.36Å; Q444-L460 PolarHBondContact NE2-O 2.92Å; Q444-L460 PolarHBondContact OE1-O 3.23Å
445	D	89.8	Confident	92.6	Very high	157 Å²	157	56.2 Å²	56.2	84%	0.84	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	26.9	177.9	-58.7	-47.9	0	0	0	114.5	P442	P442-D445 PolarHBondContact O-N 2.95Å
446	V	92	Very high	92.5	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.018	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-101.8	105.8	174.1	-177.7	0	0	0	0	109.7	Y435 E441 Q444 T450 V455 F459	Y435-V446 HydrophobicContact CE2-CG1 4Å; Y435-V446 VanDerWaalsContact OH-CG1 3.29Å; Y435-V446 WeakPolarHBondContact OH-CG1 3.37Å; E441-V446 CarbonylContact C-O 3.5Å; E441-V446 HydrophobicContact CB-CB 4.15Å; E441-V446 PolarHBondContact N-O 2.94Å; E441-V446 WeakPolarHBondContact O-CB 3.16Å; E441-V446 PolarHBondContact O-N 3.37Å; E441-V446 VanDerWaalsContact O-N 3.08Å; Q444-V446 PolarHBondContact O-N 2.94Å; V446-T450 HydrophobicContact CG1-CG2 3.99Å; V446-V455 HydrophobicContact CG1-CG2 4.01Å; V446-V455 HydrophobicContact CG2-CG1 4.19Å; V446-F459 HydrophobicContact CG2-CD2 4.13Å
447	A	92	Very high	92.3	Very high	56 Å²	56	64.4 Å²	64.4	46%	0.463	37%	0.374	S	S	.	.			trans	-69	152.7	-176.5	0	0	0	0	0	113.2	G449 T450	A447-G449 PolarHBondContact O-N 3.49Å; A447-T450 PolarHBondContact N-OG1 3.19Å; A447-T450 WeakPolarHBondContact O-CB 3.45Å; A447-T450 PolarHBondContact O-N 3.35Å; A447-T450 PolarHBondContact O-OG1 3.34Å
448	P	94.3	Very high	92.2	Very high	90 Å²	90	70.6 Å²	70.6	58%	0.584	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	134.5	167.7	-20.4	30.6	0	0	0	111.2	K439	K439-P448 WeakPolarHBondContact O-CG 3.46Å
449	G	92.8	Very high	92.3	Very high	31 Å²	31	67.8 Å²	67.8	32%	0.32	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	1.5	-174.3	0	0	0	0	0	114.9	L422 P437 A447 P451	L422-G449 WeakPolarHBondContact CD2-O 3.34Å; P437-G449 CarbonylContact O-C 3.58Å; P437-G449 WeakPolarHBondContact O-CA 3.34Å; P437-G449 PolarHBondContact O-N 3.32Å; A447-G449 PolarHBondContact O-N 3.49Å; G449-P451 WeakPolarHBondContact O-CD 3.33Å
450	T	93.2	Very high	92.4	Very high	23 Å²	23	64.7 Å²	64.7	14%	0.141	37%	0.373	C	S	.	.			trans	-79.9	116.3	-179.8	-52.8	0	0	0	0	110.8	Y435 P437 V446 A447 E454 V455	Y435-T450 PolarHBondContact OH-O 2.87Å; P437-T450 PolarHBondContact O-N 3.11Å; V446-T450 HydrophobicContact CG1-CG2 3.99Å; A447-T450 PolarHBondContact N-OG1 3.19Å; A447-T450 WeakPolarHBondContact O-CB 3.45Å; A447-T450 PolarHBondContact O-N 3.35Å; A447-T450 PolarHBondContact O-OG1 3.34Å; T450-E454 HydrophobicContact CG2-CB 3.72Å; T450-V455 HydrophobicContact CG2-CG2 4.3Å
451	P	94.6	Very high	92.5	Very high	28 Å²	28	64.4 Å²	64.4	18%	0.182	37%	0.37	C	S	.	.			trans	-66.8	153.7	174.4	28.1	-33.5	0	0	0	111	G449 S453 E454 V455	G449-P451 WeakPolarHBondContact O-CD 3.33Å; P451-S453 PolarHBondContact O-N 3.12Å; P451-S453 VanDerWaalsContact O-N 3.08Å; P451-E454 HydrophobicContact CG-CB 4.1Å; P451-E454 HydrophobicContact CG-CG 3.87Å; P451-E454 PolarHBondContact O-N 3.29Å; P451-V455 PolarHBondContact O-N 2.87Å
452	W	94.7	Very high	92.4	Very high	36 Å²	36	65.7 Å²	65.7	14%	0.136	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-56.9	-31.1	-175.9	-174.7	-111.3	0	0	0	114.1	M426 Y435 E454 V455 F459 K468 F471	M426-W452 HydrophobicContact CB-CD2 4.09Å; M426-W452 HydrophobicContact CB-CE3 4.04Å; M426-W452 HydrophobicContact CB-CH2 4.41Å; M426-W452 HydrophobicContact CB-CZ2 4.46Å; M426-W452 HydrophobicContact CB-CZ3 4.2Å; M426-W452 HydrophobicContact CE-CD2 4.27Å; M426-W452 HydrophobicContact CE-CG 4.18Å; M426-W452 HydrophobicContact CE-CZ2 4.33Å; M426-W452 HydrophobicContact CG-CB 3.82Å; M426-W452 HydrophobicContact CG-CD2 3.43Å; M426-W452 VanDerWaalsContact CG-CD2 3.43Å; M426-W452 HydrophobicContact CG-CE3 3.73Å; M426-W452 HydrophobicContact CG-CG 3.46Å; M426-W452 VanDerWaalsContact CG-CG 3.46Å; M426-W452 HydrophobicContact CG-CZ3 4.38Å; M426-W452 HydrophobicContact SD-CB 4.31Å; M426-W452 HydrophobicContact SD-CD2 4.31Å; M426-W452 HydrophobicContact SD-CG 3.9Å; Y435-W452 AromaticContact CD1-CE3 3.4Å; Y435-W452 HydrophobicContact CD1-CE3 3.4Å; Y435-W452 VanDerWaalsContact CD1-CE3 3.4Å; Y435-W452 AromaticContact CD1-CZ3 3.85Å; Y435-W452 HydrophobicContact CD1-CZ3 3.85Å; Y435-W452 HydrophobicContact CD2-CE3 4.34Å; Y435-W452 HydrophobicContact CD2-CZ3 4.05Å; Y435-W452 AromaticContact CE1-CE3 3.82Å; Y435-W452 HydrophobicContact CE1-CE3 3.82Å; Y435-W452 HydrophobicContact CE1-CZ3 4.47Å; Y435-W452 AromaticContact CG-CE3 3.69Å; Y435-W452 HydrophobicContact CG-CE3 3.69Å; Y435-W452 AromaticContact CG-CZ3 3.6Å; Y435-W452 HydrophobicContact CG-CZ3 3.6Å; W452-E454 PolarHBondContact O-N 3.36Å; W452-V455 HydrophobicContact CE3-CB 4.3Å; W452-V455 HydrophobicContact CE3-CG2 3.88Å; W452-V455 HydrophobicContact CZ3-CG1 4.4Å; W452-V455 HydrophobicContact CZ3-CG2 4.41Å; W452-V455 PolarHBondContact O-N 3.3Å; W452-F459 AromaticContact CH2-CD1 3.97Å; W452-F459 HydrophobicContact CH2-CD1 3.97Å; W452-F459 AromaticContact CH2-CE1 3.85Å; W452-F459 HydrophobicContact CH2-CE1 3.85Å; W452-F459 HydrophobicContact CZ3-CD1 4.3Å; W452-F459 HydrophobicContact CZ3-CE1 4Å; W452-K468 HydrophobicContact CH2-CG 3.87Å; W452-K468 HydrophobicContact CZ2-CB 4.44Å; W452-K468 HydrophobicContact CZ2-CD 4.21Å; W452-K468 HydrophobicContact CZ2-CG 3.29Å; W452-K468 WeakPolarHBondContact O-CE 3.39Å; W452-K468 PolarHBondContact O-NZ 3.39Å; W452-F471 HydrophobicContact CH2-CB 3.76Å; W452-F471 AromaticContact CH2-CD1 3.56Å; W452-F471 HydrophobicContact CH2-CD1 3.56Å; W452-F471 AromaticContact CH2-CD2 3.64Å; W452-F471 HydrophobicContact CH2-CD2 3.64Å; W452-F471 AromaticContact CH2-CE1 3.99Å; W452-F471 HydrophobicContact CH2-CE1 3.99Å; W452-F471 HydrophobicContact CH2-CE2 4.06Å; W452-F471 AromaticContact CH2-CG 3.37Å; W452-F471 HydrophobicContact CH2-CG 3.37Å; W452-F471 HydrophobicContact CH2-CZ 4.23Å; W452-F471 HydrophobicContact CZ2-CB 3.37Å; W452-F471 HydrophobicContact CZ2-CD1 4.1Å; W452-F471 AromaticContact CZ2-CD2 3.93Å; W452-F471 HydrophobicContact CZ2-CD2 3.93Å; W452-F471 AromaticContact CZ2-CG 3.55Å; W452-F471 HydrophobicContact CZ2-CG 3.55Å; W452-F471 HydrophobicContact CZ3-CD1 4.21Å; W452-F471 HydrophobicContact CZ3-CE1 4.45Å; W452-F471 HydrophobicContact CZ3-CG 4.42Å
453	S	91.7	Very high	92.5	Very high	102 Å²	102	68.4 Å²	68.4	71%	0.713	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-62.7	-23.2	174.8	53.2	0	0	0	0	113.8	P451	P451-S453 PolarHBondContact O-N 3.12Å; P451-S453 VanDerWaalsContact O-N 3.08Å
454	E	93.4	Very high	92.9	Very high	138 Å²	138	64.9 Å²	64.9	65%	0.645	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-102.4	-5.9	-179.4	-69	-178.2	-165.4	0	0	113.3	T450 P451 W452	T450-E454 HydrophobicContact CG2-CB 3.72Å; P451-E454 HydrophobicContact CG-CB 4.1Å; P451-E454 HydrophobicContact CG-CG 3.87Å; P451-E454 PolarHBondContact O-N 3.29Å; W452-E454 PolarHBondContact O-N 3.36Å
455	V	94.1	Very high	92.9	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.018	39%	0.388	C	S	.	.	S	Bend	trans	-63.7	130.4	171.7	175.1	0	0	0	0	109.2	Y435 V446 T450 P451 W452 F459 K468	Y435-V455 HydrophobicContact CE1-CG2 3.98Å; Y435-V455 HydrophobicContact CE2-CG2 4.07Å; Y435-V455 WeakPolarHBondContact OH-CG2 3.37Å; V446-V455 HydrophobicContact CG1-CG2 4.01Å; V446-V455 HydrophobicContact CG2-CG1 4.19Å; T450-V455 HydrophobicContact CG2-CG2 4.3Å; P451-V455 PolarHBondContact O-N 2.87Å; W452-V455 HydrophobicContact CE3-CB 4.3Å; W452-V455 HydrophobicContact CE3-CG2 3.88Å; W452-V455 HydrophobicContact CZ3-CG1 4.4Å; W452-V455 HydrophobicContact CZ3-CG2 4.41Å; W452-V455 PolarHBondContact O-N 3.3Å; V455-F459 HydrophobicContact CG1-CB 3.52Å; V455-F459 HydrophobicContact CG1-CD1 4.11Å; V455-F459 HydrophobicContact CG1-CD2 3.77Å; V455-F459 HydrophobicContact CG1-CG 3.52Å; V455-K468 HydrophobicContact CG1-CD 4.34Å; V455-K468 PolarHBondContact O-NZ 3.26Å
456	P	93	Very high	93	Very high	56 Å²	56	62.4 Å²	62.4	36%	0.364	37%	0.367	S	S	.	.			trans	-58.1	148.5	179.3	-28.4	37.5	0	0	0	114.3	N458 F459	P456-N458 WeakPolarHBondContact CB-OD1 3.32Å; P456-N458 PolarHBondContact O-N 3.26Å; P456-F459 WeakPolarHBondContact O-CB 3.18Å; P456-F459 PolarHBondContact O-N 2.66Å
457	D	92.2	Very high	93	Very high	147 Å²	147	63.2 Å²	63.2	79%	0.786	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.7	-179.7	-69.9	-25.2	0	0	0	113.7	F459	D457-F459 PolarHBondContact O-N 3.27Å
458	N	91.5	Very high	93	Very high	132 Å²	132	62 Å²	62	71%	0.706	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	5.2	173.5	68.4	-26.9	0	0	0	113.3	P456 L460	P456-N458 WeakPolarHBondContact CB-OD1 3.32Å; P456-N458 PolarHBondContact O-N 3.26Å; N458-L460 PolarHBondContact O-N 3.27Å
459	F	94.7	Very high	93	Very high	3 Å²	3	64.5 Å²	64.5	1%	0.013	37%	0.368	C	S	.	.			trans	-59.7	131.5	173.5	177.8	-96.6	0	0	0	111	W433 Y435 E441 Q444 V446 W452 V455 P456 D457 G467 K468 F471	W433-F459 HydrophobicContact CH2-CZ 4.27Å; W433-F459 AromaticContact CZ3-CZ 3.97Å; W433-F459 HydrophobicContact CZ3-CZ 3.97Å; Y435-F459 HydrophobicContact CD2-CZ 4.46Å; E441-F459 HydrophobicContact CB-CE2 3.73Å; E441-F459 HydrophobicContact CB-CZ 4.42Å; E441-F459 HydrophobicContact CG-CE2 3.79Å; E441-F459 HydrophobicContact CG-CZ 4.44Å; Q444-F459 HydrophobicContact CB-CD2 4.36Å; V446-F459 HydrophobicContact CG2-CD2 4.13Å; W452-F459 AromaticContact CH2-CD1 3.97Å; W452-F459 HydrophobicContact CH2-CD1 3.97Å; W452-F459 AromaticContact CH2-CE1 3.85Å; W452-F459 HydrophobicContact CH2-CE1 3.85Å; W452-F459 HydrophobicContact CZ3-CD1 4.3Å; W452-F459 HydrophobicContact CZ3-CE1 4Å; V455-F459 HydrophobicContact CG1-CB 3.52Å; V455-F459 HydrophobicContact CG1-CD1 4.11Å; V455-F459 HydrophobicContact CG1-CD2 3.77Å; V455-F459 HydrophobicContact CG1-CG 3.52Å; P456-F459 WeakPolarHBondContact O-CB 3.18Å; P456-F459 PolarHBondContact O-N 2.66Å; D457-F459 PolarHBondContact O-N 3.27Å; F459-G467 CarbonylContact O-C 3.53Å; F459-K468 HydrophobicContact CB-CB 4.49Å; F459-K468 PolarHBondContact O-N 3.28Å; F459-K468 VanDerWaalsContact O-N 3.09Å; F459-F471 HydrophobicContact CD1-CE2 4.37Å; F459-F471 HydrophobicContact CE1-CE1 4.47Å; F459-F471 AromaticContact CE1-CE2 3.84Å; F459-F471 HydrophobicContact CE1-CE2 3.84Å; F459-F471 AromaticContact CE1-CZ 3.72Å; F459-F471 HydrophobicContact CE1-CZ 3.72Å
460	L	94.8	Very high	93	Very high	76 Å²	76	64.3 Å²	64.3	40%	0.398	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-111.9	142.7	174.8	-59	-179.3	0	0	0	109.6	Q444 N458 P462 L466	Q444-L460 PolarHBondContact NE2-O 2.92Å; Q444-L460 PolarHBondContact OE1-O 3.23Å; N458-L460 PolarHBondContact O-N 3.27Å; L460-P462 WeakPolarHBondContact O-CD 3.47Å; L460-L466 CarbonylContact C-O 3.47Å; L460-L466 WeakPolarHBondContact CA-O 3.15Å
461	C	94.6	Very high	93.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.357	C	S	.	.			trans	-58	124.3	170.6	-179.6	0	0	0	0	109.7	C431 E463 C464 S465 L466 F471	C431-C461 PolarHBondContact SG-SG 3Å; C461-E463 PolarHBondContact O-N 2.99Å; C461-E463 VanDerWaalsContact O-N 3.13Å; C461-C464 VanDerWaalsContact CB-SG 3.53Å; C461-C464 PolarHBondContact O-N 3.18Å; C461-C464 VanDerWaalsContact SG-SG 3.65Å; C461-S465 VanDerWaalsContact O-CA 3.28Å; C461-S465 WeakPolarHBondContact O-CA 3.26Å; C461-S465 PolarHBondContact O-N 3.13Å; C461-L466 PolarHBondContact N-O 2.85Å; C461-F471 HydrophobicContact CB-CE2 3.76Å; C461-F471 HydrophobicContact CB-CZ 3.76Å
462	P	91.6	Very high	93.1	Very high	53 Å²	53	67.2 Å²	67.2	34%	0.344	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.3	-176.1	-25.6	34	0	0	0	114.3	W433 E441 L460	W433-P462 HydrophobicContact CD2-CG 4.33Å; W433-P462 HydrophobicContact CE3-CG 4.46Å; W433-P462 HydrophobicContact CH2-CG 3.9Å; W433-P462 HydrophobicContact CZ2-CG 3.74Å; W433-P462 HydrophobicContact CZ3-CG 4.25Å; E441-P462 HydrophobicContact CG-CG 3.94Å; E441-P462 VanDerWaalsContact OE2-CG 3.25Å; E441-P462 WeakPolarHBondContact OE2-CG 3.49Å; L460-P462 WeakPolarHBondContact O-CD 3.47Å
463	E	91.2	Very high	93	Very high	137 Å²	137	72.3 Å²	72.3	64%	0.64	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-36.9	-178.5	-70.6	-69.1	165	0	0	114.2	C431 W433 C461	C431-E463 HydrophobicContact CB-CB 4.34Å; C431-E463 VanDerWaalsContact SG-CB 3.55Å; W433-E463 HydrophobicContact CB-CB 4.28Å; W433-E463 HydrophobicContact CB-CG 3.88Å; W433-E463 VanDerWaalsContact CD1-CG 3.49Å; W433-E463 HydrophobicContact CG-CG 3.9Å; C461-E463 PolarHBondContact O-N 2.99Å; C461-E463 VanDerWaalsContact O-N 3.13Å
464	C	92.6	Very high	92.8	Very high	37 Å²	37	70 Å²	70	25%	0.25	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-5.2	-172.5	72.1	0	0	0	0	115.4	C428 C431 C461 L466	C428-C464 VanDerWaalsContact SG-SG 3.64Å; C431-C464 HydrophobicContact CB-CB 3.98Å; C461-C464 VanDerWaalsContact CB-SG 3.53Å; C461-C464 PolarHBondContact O-N 3.18Å; C461-C464 VanDerWaalsContact SG-SG 3.65Å; C464-L466 PolarHBondContact O-N 3.17Å
465	S	91.7	Very high	91.7	Very high	83 Å²	83	67.8 Å²	67.8	58%	0.58	38%	0.383	S	S	*	.			trans	61.2	18.4	177.3	-47	0	0	0	0	115.8	C461	C461-S465 VanDerWaalsContact O-CA 3.28Å; C461-S465 WeakPolarHBondContact O-CA 3.26Å; C461-S465 PolarHBondContact O-N 3.13Å
466	L	91.5	Very high	90.1	Very high	77 Å²	77	73 Å²	73	40%	0.403	42%	0.42	S	S	.	.			trans	-84.4	154	170.4	-67.8	173.6	0	0	0	111.2	V430 L460 C461 C464 V470	V430-L466 HydrophobicContact CB-CD1 4.05Å; V430-L466 HydrophobicContact CG1-CD1 3.95Å; V430-L466 HydrophobicContact CG2-CD1 3.62Å; L460-L466 CarbonylContact C-O 3.47Å; L460-L466 WeakPolarHBondContact CA-O 3.15Å; C461-L466 PolarHBondContact N-O 2.85Å; C464-L466 PolarHBondContact O-N 3.17Å; L466-V470 HydrophobicContact CB-CG1 4.33Å; L466-V470 HydrophobicContact CB-CG2 3.8Å
467	G	92.9	Very high	87.9	Confident	19 Å²	19	79.5 Å²	79.5	20%	0.196	45%	0.445	C	S	.	.	B	Isolated β-bridge	trans	-66.8	173.4	-173.4	0	0	0	0	0	115.1	F459 D469 V470	F459-G467 CarbonylContact O-C 3.53Å; G467-D469 VanDerWaalsContact C-OD1 3.23Å; G467-D469 WeakPolarHBondContact CA-OD1 3.18Å; G467-D469 PolarHBondContact O-N 2.9Å; G467-D469 VanDerWaalsContact O-N 3.1Å; G467-V470 WeakPolarHBondContact O-CG2 3.2Å; G467-V470 PolarHBondContact O-N 3.05Å
468	K	92.4	Very high	85.3	Confident	32 Å²	32	77.2 Å²	77.2	14%	0.139	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-57.1	-22.6	177.8	-164.3	-177.3	175.2	-172.5	0	113.8	W452 V455 F459 V470 F471	W452-K468 HydrophobicContact CH2-CG 3.87Å; W452-K468 HydrophobicContact CZ2-CB 4.44Å; W452-K468 HydrophobicContact CZ2-CD 4.21Å; W452-K468 HydrophobicContact CZ2-CG 3.29Å; W452-K468 WeakPolarHBondContact O-CE 3.39Å; W452-K468 PolarHBondContact O-NZ 3.39Å; V455-K468 HydrophobicContact CG1-CD 4.34Å; V455-K468 PolarHBondContact O-NZ 3.26Å; F459-K468 HydrophobicContact CB-CB 4.49Å; F459-K468 PolarHBondContact O-N 3.28Å; F459-K468 VanDerWaalsContact O-N 3.09Å; K468-V470 VanDerWaalsContact C-N 3.27Å; K468-V470 PolarHBondContact O-N 2.64Å; K468-F471 PolarHBondContact O-N 2.72Å
469	D	93.1	Very high	82.5	Confident	141 Å²	141	84.2 Å²	84.2	75%	0.754	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-68.4	-17.8	-177.5	61.9	-47.4	0	0	0	114.7	G467	G467-D469 VanDerWaalsContact C-OD1 3.23Å; G467-D469 WeakPolarHBondContact CA-OD1 3.18Å; G467-D469 PolarHBondContact O-N 2.9Å; G467-D469 VanDerWaalsContact O-N 3.1Å
470	V	93	Very high	81.9	Confident	27 Å²	27	88.3 Å²	88.3	16%	0.164	49%	0.494	C	S	.	.	G	3₁₀ helix	trans	-92.8	9.3	-179.9	-54.8	0	0	0	0	114.2	S429 V430 L466 G467 K468	S429-V470 WeakPolarHBondContact CB-O 3.29Å; S429-V470 PolarHBondContact N-O 3.13Å; S429-V470 PolarHBondContact OG-O 3.41Å; V430-V470 HydrophobicContact CG2-CB 4.43Å; V430-V470 HydrophobicContact CG2-CG2 4.49Å; L466-V470 HydrophobicContact CB-CG1 4.33Å; L466-V470 HydrophobicContact CB-CG2 3.8Å; G467-V470 WeakPolarHBondContact O-CG2 3.2Å; G467-V470 PolarHBondContact O-N 3.05Å; K468-V470 VanDerWaalsContact C-N 3.27Å; K468-V470 PolarHBondContact O-N 2.64Å
471	F	95.6	Very high	81.2	Confident	14 Å²	14	88.9 Å²	88.9	6%	0.061	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.2	-178.1	-80.4	-101.9	0	0	0	112.3	M426 Q427 C428 W433 W452 F459 C461 K468	M426-F471 HydrophobicContact CB-CB 4.29Å; M426-F471 HydrophobicContact CB-CD1 3.89Å; M426-F471 HydrophobicContact CE-CB 3.99Å; M426-F471 WeakPolarHBondContact CE-O 3.42Å; Q427-F471 WeakPolarHBondContact O-CA 3.4Å; C428-F471 HydrophobicContact CB-CD1 4.23Å; C428-F471 HydrophobicContact CB-CE1 3.81Å; C428-F471 HydrophobicContact CB-CE2 4.18Å; C428-F471 HydrophobicContact CB-CZ 3.77Å; W433-F471 AromaticContact CE3-CE1 3.77Å; W433-F471 HydrophobicContact CE3-CE1 3.77Å; W433-F471 AromaticContact CE3-CZ 3.92Å; W433-F471 HydrophobicContact CE3-CZ 3.92Å; W433-F471 AromaticContact CZ3-CE1 3.99Å; W433-F471 HydrophobicContact CZ3-CE1 3.99Å; W433-F471 HydrophobicContact CZ3-CZ 4.13Å; W452-F471 HydrophobicContact CH2-CB 3.76Å; W452-F471 AromaticContact CH2-CD1 3.56Å; W452-F471 HydrophobicContact CH2-CD1 3.56Å; W452-F471 AromaticContact CH2-CD2 3.64Å; W452-F471 HydrophobicContact CH2-CD2 3.64Å; W452-F471 AromaticContact CH2-CE1 3.99Å; W452-F471 HydrophobicContact CH2-CE1 3.99Å; W452-F471 HydrophobicContact CH2-CE2 4.06Å; W452-F471 AromaticContact CH2-CG 3.37Å; W452-F471 HydrophobicContact CH2-CG 3.37Å; W452-F471 HydrophobicContact CH2-CZ 4.23Å; W452-F471 HydrophobicContact CZ2-CB 3.37Å; W452-F471 HydrophobicContact CZ2-CD1 4.1Å; W452-F471 AromaticContact CZ2-CD2 3.93Å; W452-F471 HydrophobicContact CZ2-CD2 3.93Å; W452-F471 AromaticContact CZ2-CG 3.55Å; W452-F471 HydrophobicContact CZ2-CG 3.55Å; W452-F471 HydrophobicContact CZ3-CD1 4.21Å; W452-F471 HydrophobicContact CZ3-CE1 4.45Å; W452-F471 HydrophobicContact CZ3-CG 4.42Å; F459-F471 HydrophobicContact CD1-CE2 4.37Å; F459-F471 HydrophobicContact CE1-CE1 4.47Å; F459-F471 AromaticContact CE1-CE2 3.84Å; F459-F471 HydrophobicContact CE1-CE2 3.84Å; F459-F471 AromaticContact CE1-CZ 3.72Å; F459-F471 HydrophobicContact CE1-CZ 3.72Å; C461-F471 HydrophobicContact CB-CE2 3.76Å; C461-F471 HydrophobicContact CB-CZ 3.76Å; K468-F471 PolarHBondContact O-N 2.72Å
472	D	94.1	Very high	80.5	Confident	99 Å²	99	93.9 Å²	93.9	53%	0.529	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	152.3	175.7	-63.6	-51.7	0	0	0	110.7	M426 Q427 S429 L474	M426-D472 CarbonylContact C-O 3.15Å; M426-D472 WeakPolarHBondContact CA-O 3.15Å; Q427-D472 PolarHBondContact N-O 3Å; Q427-D472 PolarHBondContact O-N 3.22Å; S429-D472 WeakPolarHBondContact CB-OD2 3Å; D472-L474 PolarHBondContact O-N 3.31Å
473	E	93.7	Very high	79.8	Confident	143 Å²	143	96.3 Å²	96.3	67%	0.668	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	126.1	172.5	-71.3	-177	179.3	0	0	110.2	P424 M426 A475	P424-E473 HydrophobicContact CB-CG 4.26Å; P424-E473 HydrophobicContact CG-CG 3.91Å; M426-E473 HydrophobicContact CE-CG 4.3Å; M426-E473 HydrophobicContact SD-CB 4.35Å; M426-E473 HydrophobicContact SD-CG 3.68Å; E473-A475 PolarHBondContact O-N 2.87Å; E473-A475 VanDerWaalsContact O-N 3.11Å
474	L	86.8	Confident	79.1	Confident	54 Å²	54	93.8 Å²	93.8	28%	0.283	53%	0.531	S	S	.	.			trans	-71.1	107.9	177.3	-174.2	74.5	0	0	0	108.6	R425 Q427 I434 D472 S476	R425-L474 HydrophobicContact CB-CB 4.28Å; R425-L474 HydrophobicContact CB-CD2 4.14Å; R425-L474 VanDerWaalsContact O-CB 3.22Å; R425-L474 WeakPolarHBondContact O-CB 3.39Å; R425-L474 PolarHBondContact O-N 3.28Å; Q427-L474 HydrophobicContact CB-CB 4.43Å; Q427-L474 HydrophobicContact CB-CD1 3.93Å; Q427-L474 HydrophobicContact CG-CD1 4.31Å; I434-L474 HydrophobicContact CD1-CD1 4.31Å; I434-L474 HydrophobicContact CD1-CD2 3.94Å; I434-L474 HydrophobicContact CG1-CD2 4.45Å; I434-L474 HydrophobicContact CG2-CD2 4.08Å; D472-L474 PolarHBondContact O-N 3.31Å; L474-S476 PolarHBondContact O-N 3.5Å; L474-S476 VanDerWaalsContact O-N 3.11Å
475	A	71.5	Confident	78.2	Confident	91 Å²	91	97.5 Å²	97.5	75%	0.752	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-53.6	118.3	-179.2	0	0	0	0	0	111.1	E473 E477	E473-A475 PolarHBondContact O-N 2.87Å; E473-A475 VanDerWaalsContact O-N 3.11Å; A475-E477 PolarHBondContact O-N 2.96Å
476	S	59.4	Low	77.2	Confident	113 Å²	113	98.6 Å²	98.6	79%	0.79	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-66.6	121.5	173.6	60.4	0	0	0	0	109.2	L474 A478	L474-S476 PolarHBondContact O-N 3.5Å; L474-S476 VanDerWaalsContact O-N 3.11Å; S476-A478 PolarHBondContact O-N 3.23Å; S476-A478 VanDerWaalsContact O-N 3.1Å
477	E	46.4	Very low	76.2	Confident	191 Å²	191	100.2 Å²	100.2	89%	0.893	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-54.6	119.5	171.1	-71.6	-177.7	159.4	0	0	109.2	A475 K479	A475-E477 PolarHBondContact O-N 2.96Å; E477-K479 PolarHBondContact O-N 2.69Å
478	A	37.3	Very low	74.8	Confident	99 Å²	99	107 Å²	107	82%	0.818	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-60.3	123.1	172.7	0	0	0	0	0	108.8	S476	S476-A478 PolarHBondContact O-N 3.23Å; S476-A478 VanDerWaalsContact O-N 3.1Å
479	K	33.8	Very low	73.2	Confident	280 Å²	280	113.8 Å²	113.8	100%	1.217	63%	0.63	S	S	*	*			trans	-60.1	0	176	-87.3	-176.4	176	175.8	0	113.4	E477	E477-K479 PolarHBondContact O-N 2.69Å

Retrieved 479 of 479 residues in 475.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).