G4VT24_SCHMA Loading...

Galactose-1-phosphate uridylyltransferase

AlphaFold DB , UniProt , Accession G4VT24, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 380 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.6	Very low	77	Confident	244 Å²	244	85.9 Å²	85.9	100%	1.202	47%	0.47	S	S	*	.				0	127.2	0	-75.5	177.1	-169.9	0	0	107.7	N3	M1-N3 PolarHBondContact O-N 3.37Å
2	T	50.8	Low	78.8	Confident	110 Å²	110	85.5 Å²	85.5	68%	0.675	46%	0.457	S	S	*	.			trans	-59.3	130.6	174.3	-18.9	0	0	0	0	108.6	L4 S7	T2-L4 PolarHBondContact O-N 3.17Å; T2-S7 WeakPolarHBondContact CG2-OG 3.47Å
3	N	67.9	Low	80.3	Confident	91 Å²	91	79.6 Å²	79.6	49%	0.487	43%	0.426	S	S	.	.			trans	-69.5	100.7	175.5	-171.4	-13.8	0	0	0	108.1	M1 L5 T6 S7	M1-N3 PolarHBondContact O-N 3.37Å; N3-L5 PolarHBondContact O-N 2.91Å; N3-L5 VanDerWaalsContact OD1-CB 3.31Å; N3-L5 WeakPolarHBondContact OD1-CB 3.39Å; N3-L5 PolarHBondContact OD1-N 3.15Å; N3-L5 VanDerWaalsContact OD1-N 3.13Å; N3-T6 PolarHBondContact O-N 3.34Å; N3-T6 VanDerWaalsContact O-N 3.13Å; N3-T6 PolarHBondContact O-OG1 3.16Å; N3-S7 PolarHBondContact O-N 3.48Å; N3-S7 PolarHBondContact O-OG 2.72Å
4	L	71.6	Confident	81.6	Confident	98 Å²	98	75.9 Å²	75.9	51%	0.513	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.5	-177.7	-66.3	171.7	0	0	0	112.2	T2 T6 H9	T2-L4 PolarHBondContact O-N 3.17Å; L4-T6 VanDerWaalsContact C-N 3.26Å; L4-T6 PolarHBondContact O-N 2.96Å; L4-H9 HydrophobicContact CD2-CB 3.57Å; L4-H9 PolarHBondContact O-CE1 2.86Å; L4-H9 PolarHBondContact O-ND1 3.06Å
5	L	71.7	Confident	82.7	Confident	89 Å²	89	71.3 Å²	71.3	47%	0.466	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.5	176.3	-61.7	170.7	0	0	0	112.5	N3 L359	N3-L5 PolarHBondContact O-N 2.91Å; N3-L5 VanDerWaalsContact OD1-CB 3.31Å; N3-L5 WeakPolarHBondContact OD1-CB 3.39Å; N3-L5 PolarHBondContact OD1-N 3.15Å; N3-L5 VanDerWaalsContact OD1-N 3.13Å; L5-L359 HydrophobicContact CD2-CD1 4.21Å
6	T	75.3	Confident	83.7	Confident	69 Å²	69	68.8 Å²	68.8	42%	0.423	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-38.4	179.1	58.6	0	0	0	0	111.8	N3 L4 H25	N3-T6 PolarHBondContact O-N 3.34Å; N3-T6 VanDerWaalsContact O-N 3.13Å; N3-T6 PolarHBondContact O-OG1 3.16Å; L4-T6 VanDerWaalsContact C-N 3.26Å; L4-T6 PolarHBondContact O-N 2.96Å; T6-H25 PolarHBondContact O-CD2 2.83Å; T6-H25 PolarHBondContact O-CE1 2.83Å; T6-H25 PolarHBondContact O-NE2 2.93Å
7	S	85.1	Confident	84.5	Confident	28 Å²	28	70.6 Å²	70.6	20%	0.196	38%	0.379	C	S	.	.	S	Bend	trans	-79.9	147.9	-179.1	57.8	0	0	0	0	113.8	T2 N3 H9	T2-S7 WeakPolarHBondContact CG2-OG 3.47Å; N3-S7 PolarHBondContact O-N 3.48Å; N3-S7 PolarHBondContact O-OG 2.72Å; S7-H9 PolarHBondContact O-N 3.21Å; S7-H9 PolarHBondContact O-ND1 2.99Å
8	G	90.5	Very high	85.2	Confident	57 Å²	57	70.2 Å²	70.2	59%	0.588	38%	0.375	S	S	*	.			trans	-61.5	132.1	171.7	0	0	0	0	0	111.1	V22	G8-V22 VanDerWaalsContact CA-O 3.27Å; G8-V22 WeakPolarHBondContact CA-O 3.08Å
9	H	95.3	Very high	85.9	Confident	24 Å²	24	72.3 Å²	72.3	11%	0.111	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	177.7	-176.8	63.5	-84.9	0	0	0	111.4	L4 S7 R11 V22	L4-H9 HydrophobicContact CD2-CB 3.57Å; L4-H9 PolarHBondContact O-CE1 2.86Å; L4-H9 PolarHBondContact O-ND1 3.06Å; S7-H9 PolarHBondContact O-N 3.21Å; S7-H9 PolarHBondContact O-ND1 2.99Å; H9-R11 PolarHBondContact NE2-NE 2.99Å; H9-R11 VanDerWaalsContact NE2-NE 3.12Å; H9-V22 PolarHBondContact N-O 3.08Å; H9-V22 PolarHBondContact O-N 3.03Å
10	R	96.2	Very high	86.5	Confident	125 Å²	125	68.8 Å²	68.8	47%	0.472	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.4	177.1	-64.1	170	71.1	-140.5	10.1	110.5	W19 I20 I21 E353	R10-W19 HydrophobicContact CB-CE3 3.66Å; R10-W19 HydrophobicContact CB-CZ3 4.25Å; R10-W19 VanDerWaalsContact NH2-CD1 3.34Å; R10-I20 CarbonylContact C-O 3.56Å; R10-I20 VanDerWaalsContact CA-O 3.26Å; R10-I20 WeakPolarHBondContact CA-O 3.45Å; R10-I21 HydrophobicContact CG-CG1 4.28Å; R10-E353 IonicContact CZ-OE1 2.77Å; R10-E353 IonicContact CZ-OE2 3.3Å; R10-E353 IonicContact NE-OE1 3.76Å; R10-E353 PolarHBondContact NE-OE1 3.13Å; R10-E353 IonicContact NE-OE2 3.22Å; R10-E353 IonicContact NH2-OE1 2.81Å; R10-E353 IonicContact NH2-OE2 2.78Å; R10-E353 PolarHBondContact NH2-OE2 3.13Å
11	R	97.3	Very high	87	Confident	10 Å²	10	67.4 Å²	67.4	4%	0.038	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.1	173.6	-67.2	-171.6	-177	-166.3	1.3	109.7	H9 W19 I20 V22 W246 E361	H9-R11 PolarHBondContact NE2-NE 2.99Å; H9-R11 VanDerWaalsContact NE2-NE 3.12Å; R11-W19 CarbonylContact O-C 3.59Å; R11-W19 WeakPolarHBondContact O-CA 3.44Å; R11-I20 PolarHBondContact N-O 3.07Å; R11-I20 PolarHBondContact O-N 3.03Å; R11-V22 HydrophobicContact CB-CG2 4.36Å; R11-V22 HydrophobicContact CG-CG2 3.87Å; R11-W246 WeakPolarHBondContact CD-O 3.49Å; R11-W246 HydrophobicContact CG-CZ2 3.84Å; R11-W246 PolarHBondContact NH1-O 3.19Å; R11-E361 IonicContact CZ-OE1 2.72Å; R11-E361 IonicContact CZ-OE2 3.63Å; R11-E361 IonicContact NH1-OE1 2.71Å; R11-E361 PolarHBondContact NH1-OE1 3.17Å; R11-E361 IonicContact NH1-OE2 2.87Å; R11-E361 PolarHBondContact NH1-OE2 3.37Å; R11-E361 IonicContact NH2-OE1 3.69Å; R11-E361 PolarHBondContact NH2-OE1 3.02Å; R11-E361 IonicContact NH2-OE2 3.66Å; R11-E361 PolarHBondContact NH2-OE2 3.38Å
12	Y	98.4	Very high	89.4	Confident	81 Å²	81	55.8 Å²	55.8	32%	0.318	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	136.5	-177.2	178.8	-114.9	0	0	0	111.5	P14 D17 E18 W19	Y12-P14 HydrophobicContact CD1-CB 4.23Å; Y12-P14 HydrophobicContact CE1-CB 3.78Å; Y12-P14 WeakPolarHBondContact O-CD 3.2Å; Y12-D17 WeakPolarHBondContact CE2-OD1 3.26Å; Y12-D17 WeakPolarHBondContact OH-CA 3.46Å; Y12-D17 PolarHBondContact OH-OD1 3.35Å; Y12-E18 WeakPolarHBondContact CD2-O 3.41Å; Y12-W19 HydrophobicContact CD2-CD2 4.21Å; Y12-W19 AromaticContact CD2-CE2 3.91Å; Y12-W19 HydrophobicContact CD2-CG 4.43Å; Y12-W19 HydrophobicContact CD2-CZ2 4.3Å; Y12-W19 AromaticContact CD2-NE1 3.89Å
13	N	98.5	Very high	91.3	Very high	9 Å²	9	51.8 Å²	51.8	5%	0.048	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	100.8	171.5	-173.6	-15.2	0	0	0	109.9	L15 L16 D17 E18 I20 W247	N13-L15 PolarHBondContact O-N 3.47Å; N13-L15 VanDerWaalsContact OD1-CB 3.3Å; N13-L15 WeakPolarHBondContact OD1-CB 3.32Å; N13-L15 PolarHBondContact OD1-N 2.88Å; N13-L16 PolarHBondContact O-N 3.25Å; N13-L16 PolarHBondContact OD1-N 3.4Å; N13-D17 WeakPolarHBondContact O-CA 3.37Å; N13-D17 PolarHBondContact O-N 2.97Å; N13-E18 WeakPolarHBondContact CB-O 3.32Å; N13-E18 PolarHBondContact N-O 3.33Å; N13-E18 PolarHBondContact O-N 2.79Å; N13-I20 HydrophobicContact CB-CD1 3.76Å; N13-W247 HydrophobicContact CB-CB 3.65Å; N13-W247 HydrophobicContact CB-CG 3.78Å; N13-W247 PolarHBondContact OD1-NE1 3.02Å
14	P	98.4	Very high	92	Very high	28 Å²	28	48.3 Å²	48.3	18%	0.182	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.1	-179.4	33.7	-37.2	0	0	0	113.2	Y12 N199 L212 W247	Y12-P14 HydrophobicContact CD1-CB 4.23Å; Y12-P14 HydrophobicContact CE1-CB 3.78Å; Y12-P14 WeakPolarHBondContact O-CD 3.2Å; P14-N199 WeakPolarHBondContact O-CB 3.27Å; P14-L212 HydrophobicContact CB-CD1 3.94Å; P14-L212 HydrophobicContact CG-CD1 4.33Å; P14-L212 HydrophobicContact CG-CD2 4.24Å; P14-W247 VanDerWaalsContact CD-CZ3 3.45Å; P14-W247 HydrophobicContact CG-CE3 3.98Å; P14-W247 HydrophobicContact CG-CH2 3.72Å; P14-W247 HydrophobicContact CG-CZ2 4.29Å; P14-W247 HydrophobicContact CG-CZ3 3.56Å
15	L	98.2	Very high	92.5	Very high	6 Å²	6	49 Å²	49	3%	0.031	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-33.4	174	-76.5	176.4	0	0	0	112.2	N13 L196 N199 Q200 L212 L213 W247 M255	N13-L15 PolarHBondContact O-N 3.47Å; N13-L15 VanDerWaalsContact OD1-CB 3.3Å; N13-L15 WeakPolarHBondContact OD1-CB 3.32Å; N13-L15 PolarHBondContact OD1-N 2.88Å; L15-L196 HydrophobicContact CB-CD2 3.7Å; L15-L196 HydrophobicContact CD1-CD2 4.37Å; L15-L196 HydrophobicContact CD2-CD2 4.24Å; L15-L196 HydrophobicContact CG-CD2 4.35Å; L15-N199 WeakPolarHBondContact O-CB 3.44Å; L15-N199 PolarHBondContact O-ND2 3.42Å; L15-Q200 HydrophobicContact CD2-CG 3.76Å; L15-L212 HydrophobicContact CD2-CD2 4.24Å; L15-L213 HydrophobicContact CD1-CD1 4.47Å; L15-L213 HydrophobicContact CD1-CD2 4Å; L15-L213 HydrophobicContact CD2-CD1 4.09Å; L15-L213 HydrophobicContact CD2-CD2 4Å; L15-L213 HydrophobicContact CD2-CG 4.06Å; L15-L213 HydrophobicContact CG-CD2 4.15Å; L15-W247 HydrophobicContact CD1-CZ2 4.19Å; L15-W247 HydrophobicContact CG-CZ2 4.32Å; L15-M255 HydrophobicContact CD1-CE 3.84Å
16	L	97.8	Very high	93	Very high	32 Å²	32	50.1 Å²	50.1	17%	0.168	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-9.6	-174.2	-62.8	-178.3	0	0	0	114.4	N13 E18 L192 R195 L196 N199	N13-L16 PolarHBondContact O-N 3.25Å; N13-L16 PolarHBondContact OD1-N 3.4Å; L16-E18 VanDerWaalsContact C-N 3.32Å; L16-E18 HydrophobicContact CB-CB 4.26Å; L16-E18 HydrophobicContact CB-CG 4.05Å; L16-L192 HydrophobicContact CD1-CD1 4.33Å; L16-L192 HydrophobicContact CD2-CD1 3.45Å; L16-L192 VanDerWaalsContact CD2-CD1 3.45Å; L16-R195 HydrophobicContact CD2-CB 4.49Å; L16-L196 HydrophobicContact CD2-CD2 3.62Å; L16-L196 HydrophobicContact CD2-CG 4.14Å; L16-L196 HydrophobicContact CG-CD2 4.41Å; L16-N199 WeakPolarHBondContact CA-ND2 3.18Å; L16-N199 PolarHBondContact O-ND2 3.3Å
17	D	97.7	Very high	93.2	Very high	100 Å²	100	49.4 Å²	49.4	54%	0.535	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	47.5	-171.3	-170.5	24.6	0	0	0	111.3	Y12 N13 N199	Y12-D17 WeakPolarHBondContact CE2-OD1 3.26Å; Y12-D17 WeakPolarHBondContact OH-CA 3.46Å; Y12-D17 PolarHBondContact OH-OD1 3.35Å; N13-D17 WeakPolarHBondContact O-CA 3.37Å; N13-D17 PolarHBondContact O-N 2.97Å; D17-N199 PolarHBondContact N-ND2 3.16Å
18	E	97.2	Very high	92.9	Very high	63 Å²	63	55.2 Å²	55.2	29%	0.294	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	159.1	-175.8	-71.1	176.4	179.7	0	0	110.7	Y12 N13 L16 R195	Y12-E18 WeakPolarHBondContact CD2-O 3.41Å; N13-E18 WeakPolarHBondContact CB-O 3.32Å; N13-E18 PolarHBondContact N-O 3.33Å; N13-E18 PolarHBondContact O-N 2.79Å; L16-E18 VanDerWaalsContact C-N 3.32Å; L16-E18 HydrophobicContact CB-CB 4.26Å; L16-E18 HydrophobicContact CB-CG 4.05Å; E18-R195 IonicContact OE1-CZ 3.26Å; E18-R195 IonicContact OE1-NH1 2.66Å; E18-R195 PolarHBondContact OE1-NH1 2.96Å; E18-R195 IonicContact OE1-NH2 2.63Å
19	W	98.2	Very high	92.4	Very high	109 Å²	109	60.2 Å²	60.2	41%	0.413	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	149.2	174.2	-66.7	81.3	0	0	0	110.6	R10 R11 Y12 E353	R10-W19 HydrophobicContact CB-CE3 3.66Å; R10-W19 HydrophobicContact CB-CZ3 4.25Å; R10-W19 VanDerWaalsContact NH2-CD1 3.34Å; R11-W19 CarbonylContact O-C 3.59Å; R11-W19 WeakPolarHBondContact O-CA 3.44Å; Y12-W19 HydrophobicContact CD2-CD2 4.21Å; Y12-W19 AromaticContact CD2-CE2 3.91Å; Y12-W19 HydrophobicContact CD2-CG 4.43Å; Y12-W19 HydrophobicContact CD2-CZ2 4.3Å; Y12-W19 AromaticContact CD2-NE1 3.89Å; W19-E353 WeakPolarHBondContact CB-OE2 3.39Å; W19-E353 WeakPolarHBondContact O-CG 3.47Å
20	I	97.9	Very high	91.6	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.1	175.8	-62.7	79.5	0	0	0	108.2	R10 R11 N13 W247 C249 R356	R10-I20 CarbonylContact C-O 3.56Å; R10-I20 VanDerWaalsContact CA-O 3.26Å; R10-I20 WeakPolarHBondContact CA-O 3.45Å; R11-I20 PolarHBondContact N-O 3.07Å; R11-I20 PolarHBondContact O-N 3.03Å; N13-I20 HydrophobicContact CB-CD1 3.76Å; I20-W247 HydrophobicContact CD1-CB 3.84Å; I20-W247 WeakPolarHBondContact CD1-O 3.43Å; I20-C249 VanDerWaalsContact CG1-SG 3.6Å; I20-R356 HydrophobicContact CG2-CG 4.11Å
21	I	96.8	Very high	90.8	Very high	40 Å²	40	63.4 Å²	63.4	21%	0.205	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	124.5	170.6	-55.3	-175.7	0	0	0	109.2	R10 F348 E353 T354 Q355 R356	R10-I21 HydrophobicContact CG-CG1 4.28Å; I21-F348 HydrophobicContact CD1-CE1 3.54Å; I21-F348 HydrophobicContact CD1-CZ 3.85Å; I21-E353 HydrophobicContact CD1-CB 4.44Å; I21-E353 HydrophobicContact CG1-CG 4.17Å; I21-E353 WeakPolarHBondContact CG1-OE1 2.98Å; I21-T354 PolarHBondContact N-O 3.33Å; I21-Q355 HydrophobicContact CB-CB 4.13Å; I21-Q355 HydrophobicContact CB-CG 4.07Å; I21-Q355 HydrophobicContact CG2-CG 4.07Å; I21-Q355 CarbonylContact O-C 3.54Å; I21-Q355 WeakPolarHBondContact O-CA 3.49Å; I21-R356 PolarHBondContact O-N 3.34Å
22	V	95.7	Very high	89.7	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.8	176.5	-174.8	0	0	0	0	108.3	G8 H9 R11 P24 R356 L359	G8-V22 VanDerWaalsContact CA-O 3.27Å; G8-V22 WeakPolarHBondContact CA-O 3.08Å; H9-V22 PolarHBondContact N-O 3.08Å; H9-V22 PolarHBondContact O-N 3.03Å; R11-V22 HydrophobicContact CB-CG2 4.36Å; R11-V22 HydrophobicContact CG-CG2 3.87Å; V22-P24 HydrophobicContact CG1-CG 4.41Å; V22-R356 HydrophobicContact CB-CG 4.39Å; V22-R356 HydrophobicContact CG1-CG 4.31Å; V22-R356 HydrophobicContact CG2-CG 4.07Å; V22-L359 HydrophobicContact CG1-CD2 3.57Å
23	S	91.9	Very high	88.9	Confident	25 Å²	25	70 Å²	70	18%	0.175	34%	0.339	C	S	.	.			trans	-129.9	80.5	-176.9	-64.3	0	0	0	0	111.2	H25 R26 R356	S23-H25 PolarHBondContact O-N 2.98Å; S23-H25 VanDerWaalsContact O-N 3.11Å; S23-R26 PolarHBondContact O-N 2.92Å; S23-R356 PolarHBondContact N-O 3.29Å
24	P	82.3	Confident	87.8	Confident	19 Å²	19	75 Å²	75	12%	0.123	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-57.8	-32	-170.4	-24.2	33.8	0	0	0	114.1	V22 R26 I27 L359	V22-P24 HydrophobicContact CG1-CG 4.41Å; P24-R26 VanDerWaalsContact C-N 3.3Å; P24-R26 PolarHBondContact O-N 3.33Å; P24-I27 WeakPolarHBondContact O-CG2 3.32Å; P24-L359 HydrophobicContact CB-CD1 4.48Å; P24-L359 HydrophobicContact CB-CG 4.32Å; P24-L359 HydrophobicContact CG-CD1 4.27Å; P24-L359 HydrophobicContact CG-CD2 4.01Å; P24-L359 HydrophobicContact CG-CG 3.98Å
25	H	82	Confident	86.5	Confident	112 Å²	112	79.6 Å²	79.6	52%	0.519	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-71.8	-18.5	-179.6	-61.2	-53.1	0	0	0	114.3	T6 S23 I27 Q28	T6-H25 PolarHBondContact O-CD2 2.83Å; T6-H25 PolarHBondContact O-CE1 2.83Å; T6-H25 PolarHBondContact O-NE2 2.93Å; S23-H25 PolarHBondContact O-N 2.98Å; S23-H25 VanDerWaalsContact O-N 3.11Å; H25-I27 PolarHBondContact O-N 2.75Å; H25-Q28 PolarHBondContact O-N 3.28Å; H25-Q28 VanDerWaalsContact O-N 3.16Å
26	R	82.7	Confident	85.5	Confident	112 Å²	112	80.8 Å²	80.8	42%	0.423	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-68.6	-20.8	-175.3	-80.7	-169.7	59	137.6	4	113.7	S23 P24 Q28 R29 R337 D357	S23-R26 PolarHBondContact O-N 2.92Å; P24-R26 VanDerWaalsContact C-N 3.3Å; P24-R26 PolarHBondContact O-N 3.33Å; R26-Q28 PolarHBondContact O-N 2.99Å; R26-Q28 VanDerWaalsContact O-N 3.17Å; R26-R29 WeakPolarHBondContact O-CB 3.28Å; R26-R29 PolarHBondContact O-N 3.37Å; R26-R29 VanDerWaalsContact O-N 3.15Å; R26-R337 PolarHBondContact O-NH2 3.5Å; R26-D357 HydrophobicContact CB-CB 4.15Å; R26-D357 WeakPolarHBondContact CB-OD1 3.34Å; R26-D357 IonicContact NE-OD1 2.65Å; R26-D357 PolarHBondContact NE-OD1 2.92Å; R26-D357 VanDerWaalsContact NE-OD1 3.1Å
27	I	78.4	Confident	84	Confident	54 Å²	54	83.5 Å²	83.5	28%	0.277	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-62.2	-21.9	175.1	-156.7	164.5	0	0	0	112.6	P24 H25 R337 L358	P24-I27 WeakPolarHBondContact O-CG2 3.32Å; H25-I27 PolarHBondContact O-N 2.75Å; I27-R337 HydrophobicContact CG1-CG 4.43Å; I27-R337 PolarHBondContact O-NE 2.9Å; I27-R337 PolarHBondContact O-NH2 3Å; I27-L358 HydrophobicContact CD1-CB 4.39Å; I27-L358 HydrophobicContact CD1-CD1 3.98Å
28	Q	79.5	Confident	82.3	Confident	151 Å²	151	80.5 Å²	80.5	71%	0.706	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-85	-8.3	-180	-61.1	176.9	-4.6	0	0	113.7	H25 R26	H25-Q28 PolarHBondContact O-N 3.28Å; H25-Q28 VanDerWaalsContact O-N 3.16Å; R26-Q28 PolarHBondContact O-N 2.99Å; R26-Q28 VanDerWaalsContact O-N 3.17Å
29	R	81	Confident	80.6	Confident	162 Å²	162	80.2 Å²	80.2	61%	0.611	40%	0.395	S	S	*	.	S	Bend	trans	-62.7	133.6	-178.9	-174.4	-177.1	175.2	-175.6	-0.9	110.6	R26 W31 R337	R26-R29 WeakPolarHBondContact O-CB 3.28Å; R26-R29 PolarHBondContact O-N 3.37Å; R26-R29 VanDerWaalsContact O-N 3.15Å; R29-W31 PolarHBondContact O-N 3.45Å; R29-R337 PolarHBondContact O-NH1 3.14Å; R29-R337 PolarHBondContact O-NH2 3.23Å
30	P	77.7	Confident	78.7	Confident	109 Å²	109	80 Å²	80	71%	0.708	39%	0.394	S	S	*	.			trans	-54.4	137.5	172.6	-24.2	33.2	0	0	0	111.8
31	W	78.7	Confident	76	Confident	106 Å²	106	87.1 Å²	87.1	40%	0.402	43%	0.425	S	S	.	.			trans	-117	117.8	177	178.4	-100.6	0	0	0	109.8	R29 Q34 V341 F344	R29-W31 PolarHBondContact O-N 3.45Å; W31-Q34 PolarHBondContact NE1-O 3.49Å; W31-V341 HydrophobicContact CD2-CG1 4.47Å; W31-V341 HydrophobicContact CG-CG1 4.22Å; W31-F344 AromaticContact CH2-CD2 3.87Å; W31-F344 HydrophobicContact CH2-CD2 3.87Å; W31-F344 AromaticContact CH2-CE2 3.73Å; W31-F344 HydrophobicContact CH2-CE2 3.73Å; W31-F344 HydrophobicContact CZ2-CD2 4.29Å; W31-F344 AromaticContact CZ2-CE2 3.71Å; W31-F344 HydrophobicContact CZ2-CE2 3.71Å
32	E	75.7	Confident	73.6	Confident	194 Å²	194	91.1 Å²	91.1	91%	0.907	45%	0.446	S	S	*	.			trans	-120.1	14.5	175.5	-63.1	179.5	173.2	0	0	111.3
33	G	80.7	Confident	70.9	Confident	36 Å²	36	95.9 Å²	95.9	37%	0.371	48%	0.476	S	S	.	.	S	Bend	trans	-83.5	-160.1	180	0	0	0	0	0	113	I35	G33-I35 PolarHBondContact O-N 2.88Å
34	Q	75.1	Confident	68.3	Low	114 Å²	114	102.9 Å²	102.9	53%	0.533	51%	0.505	S	S	.	.			trans	-55.4	139.2	180	-176.6	174.2	-10	0	0	112	W31 E36 F344	W31-Q34 PolarHBondContact NE1-O 3.49Å; Q34-E36 PolarHBondContact NE2-OE1 3.2Å; Q34-F344 HydrophobicContact CB-CZ 4.34Å
35	I	72.5	Confident	66	Low	124 Å²	124	107.4 Å²	107.4	64%	0.636	53%	0.532	S	S	*	.			trans	-112.9	117.5	173.8	-61.1	178.9	0	0	0	105.8	G33 T340	G33-I35 PolarHBondContact O-N 2.88Å; I35-T340 CarbonylContact C-O 3.6Å; I35-T340 WeakPolarHBondContact CA-O 3.18Å; I35-T340 HydrophobicContact CG2-CG2 4.08Å
36	E	76	Confident	63.8	Low	31 Å²	31	107.4 Å²	107.4	15%	0.145	54%	0.54	C	S	.	.			trans	-65.4	152.9	175.7	-56.5	-66.6	144	0	0	110.5	Q34 D38 T340 K342	Q34-E36 PolarHBondContact NE2-OE1 3.2Å; E36-D38 PolarHBondContact O-N 2.93Å; E36-T340 PolarHBondContact N-O 3.3Å; E36-T340 WeakPolarHBondContact O-CB 3.42Å; E36-T340 VanDerWaalsContact O-CG2 3.23Å; E36-T340 WeakPolarHBondContact O-CG2 3.23Å; E36-K342 HydrophobicContact CG-CD 4.27Å; E36-K342 HydrophobicContact CG-CG 4.46Å; E36-K342 VanDerWaalsContact OE1-CD 3.24Å; E36-K342 WeakPolarHBondContact OE1-CD 3.25Å; E36-K342 WeakPolarHBondContact OE1-CE 3.41Å; E36-K342 IonicContact OE1-NZ 2.7Å; E36-K342 PolarHBondContact OE1-NZ 2.91Å; E36-K342 IonicContact OE2-NZ 3.3Å
37	S	66.6	Low	61.3	Low	90 Å²	90	107.8 Å²	107.8	63%	0.629	55%	0.551	S	S	*	*			trans	-65.1	131.3	173.8	45.3	0	0	0	0	110.6	D39	S37-D39 PolarHBondContact O-N 3.19Å
38	D	62.4	Low	59.3	Low	37 Å²	37	112.1 Å²	112.1	20%	0.198	58%	0.58	C	S	.	*			trans	-79.4	99.5	175.2	-166.6	-9.3	0	0	0	109.6	E36 R40 K41 T340	E36-D38 PolarHBondContact O-N 2.93Å; D38-R40 PolarHBondContact O-N 2.88Å; D38-R40 WeakPolarHBondContact OD1-CB 3.39Å; D38-R40 WeakPolarHBondContact OD1-CG 2.94Å; D38-R40 IonicContact OD1-CZ 2.73Å; D38-R40 PolarHBondContact OD1-N 3.47Å; D38-R40 IonicContact OD1-NE 3.09Å; D38-R40 PolarHBondContact OD1-NE 2.69Å; D38-R40 IonicContact OD1-NH2 3.74Å; D38-R40 IonicContact OD2-CZ 3.06Å; D38-R40 VanDerWaalsContact OD2-CZ 3.28Å; D38-R40 IonicContact OD2-NE 3.79Å; D38-R40 PolarHBondContact OD2-NE 3.41Å; D38-R40 VanDerWaalsContact OD2-NE 3.07Å; D38-R40 IonicContact OD2-NH2 2.98Å; D38-R40 PolarHBondContact OD2-NH2 3.44Å; D38-K41 PolarHBondContact O-N 2.86Å; D38-T340 HydrophobicContact CB-CG2 4.24Å
39	D	61.7	Low	57.1	Low	56 Å²	56	109.2 Å²	109.2	30%	0.299	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.4	-16.3	-177.7	-76.2	-10.5	0	0	0	113.3	S37 K41 L42 P295	S37-D39 PolarHBondContact O-N 3.19Å; D39-K41 PolarHBondContact O-N 2.79Å; D39-K41 VanDerWaalsContact O-N 3.12Å; D39-L42 HydrophobicContact CB-CD1 4.5Å; D39-L42 WeakPolarHBondContact O-CB 3.45Å; D39-L42 PolarHBondContact O-N 2.85Å; D39-L42 WeakPolarHBondContact OD1-CD1 3.38Å; D39-P295 HydrophobicContact CB-CG 4.47Å
40	R	57.3	Low	55.3	Low	105 Å²	105	107.3 Å²	107.3	40%	0.396	58%	0.582	S	S	.	*	H	α-helix	trans	-53.5	-32.4	170.4	-71.1	-175	-75.4	-177.8	1.6	112.9	D38 L42 T43 N293	D38-R40 PolarHBondContact O-N 2.88Å; D38-R40 WeakPolarHBondContact OD1-CB 3.39Å; D38-R40 WeakPolarHBondContact OD1-CG 2.94Å; D38-R40 IonicContact OD1-CZ 2.73Å; D38-R40 PolarHBondContact OD1-N 3.47Å; D38-R40 IonicContact OD1-NE 3.09Å; D38-R40 PolarHBondContact OD1-NE 2.69Å; D38-R40 IonicContact OD1-NH2 3.74Å; D38-R40 IonicContact OD2-CZ 3.06Å; D38-R40 VanDerWaalsContact OD2-CZ 3.28Å; D38-R40 IonicContact OD2-NE 3.79Å; D38-R40 PolarHBondContact OD2-NE 3.41Å; D38-R40 VanDerWaalsContact OD2-NE 3.07Å; D38-R40 IonicContact OD2-NH2 2.98Å; D38-R40 PolarHBondContact OD2-NH2 3.44Å; R40-L42 VanDerWaalsContact C-N 3.34Å; R40-T43 PolarHBondContact O-OG1 3.22Å; R40-N293 VanDerWaalsContact CD-O 3.23Å; R40-N293 WeakPolarHBondContact CD-O 3.18Å
41	K	42.2	Very low	53.5	Low	152 Å²	152	111.7 Å²	111.7	66%	0.661	59%	0.59	S	S	*	*	H	α-helix	trans	-73.4	-24.6	178.9	-68.4	-172.7	177.8	-177	0	113.2	D38 D39 T43	D38-K41 PolarHBondContact O-N 2.86Å; D39-K41 PolarHBondContact O-N 2.79Å; D39-K41 VanDerWaalsContact O-N 3.12Å; K41-T43 VanDerWaalsContact C-N 3.33Å
42	L	44.7	Very low	51.9	Low	124 Å²	124	112.3 Å²	112.3	65%	0.649	61%	0.609	S	S	*	*	H	α-helix	trans	-72.1	-29.3	178	-76.2	159.5	0	0	0	111.7	D39 R40	D39-L42 HydrophobicContact CB-CD1 4.5Å; D39-L42 WeakPolarHBondContact O-CB 3.45Å; D39-L42 PolarHBondContact O-N 2.85Å; D39-L42 WeakPolarHBondContact OD1-CD1 3.38Å; R40-L42 VanDerWaalsContact C-N 3.34Å
43	T	40.3	Very low	51.2	Low	101 Å²	101	109.4 Å²	109.4	62%	0.62	61%	0.605	S	S	*	*	H	α-helix	trans	-76	-27.8	177.4	36.8	0	0	0	0	114.3	R40 K41	R40-T43 PolarHBondContact O-OG1 3.22Å; K41-T43 VanDerWaalsContact C-N 3.33Å
44	E	36.2	Very low	51.2	Low	172 Å²	172	112.9 Å²	112.9	80%	0.804	61%	0.61	S	S	*	*	H	α-helix	trans	-79.6	-17	179.3	-73	-174.7	167.7	0	0	113.5
45	V	34.2	Very low	51.9	Low	113 Å²	113	108.5 Å²	108.5	69%	0.685	59%	0.59	S	S	*	*			trans	-109.7	62.7	177.1	-166.2	0	0	0	0	109.9	D47	V45-D47 PolarHBondContact O-N 3.23Å
46	T	36	Very low	52.9	Low	112 Å²	112	105.3 Å²	105.3	69%	0.687	58%	0.577	S	S	*	*			trans	-94.6	66.7	156.5	45.8	0	0	0	0	108.6	V48	T46-V48 PolarHBondContact O-N 2.92Å
47	D	31.2	Very low	53.7	Low	120 Å²	120	104.5 Å²	104.5	64%	0.642	57%	0.574	S	S	*	*			trans	-64.3	120.9	160.2	-161.8	-3.1	0	0	0	107.3	V45 S49	V45-D47 PolarHBondContact O-N 3.23Å; D47-S49 PolarHBondContact O-N 3.36Å
48	V	35.4	Very low	55.1	Low	146 Å²	146	100.7 Å²	100.7	89%	0.885	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	28.9	-166.2	-177.2	0	0	0	0	111.8	T46	T46-V48 PolarHBondContact O-N 2.92Å
49	S	34.4	Very low	56.6	Low	89 Å²	89	99.6 Å²	99.6	62%	0.622	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126	-7.2	-167.9	65.1	0	0	0	0	115.4	D47 K51	D47-S49 PolarHBondContact O-N 3.36Å; S49-K51 PolarHBondContact O-N 2.79Å
50	V	41.5	Very low	58.2	Low	123 Å²	123	102.4 Å²	102.4	75%	0.745	55%	0.554	S	S	*	*	S	Bend	trans	-83.6	114.3	165.3	-174.5	0	0	0	0	107.2	C52	V50-C52 VanDerWaalsContact C-N 3.26Å; V50-C52 PolarHBondContact O-N 2.79Å
51	K	40.2	Very low	59.9	Low	200 Å²	200	97.7 Å²	97.7	87%	0.87	54%	0.536	S	S	*	.			trans	-46.6	97.1	165.1	-98.1	177.4	173.9	175.4	0	107.6	S49 T53	S49-K51 PolarHBondContact O-N 2.79Å; K51-T53 VanDerWaalsContact C-N 3.31Å; K51-T53 PolarHBondContact O-N 2.84Å
52	C	46.2	Very low	62.4	Low	120 Å²	120	94.8 Å²	94.8	81%	0.811	53%	0.531	S	S	*	.			trans	-66.8	98	179.2	-167.4	0	0	0	0	105.3	V50 K54	V50-C52 VanDerWaalsContact C-N 3.26Å; V50-C52 PolarHBondContact O-N 2.79Å; C52-K54 PolarHBondContact O-N 3.44Å
53	T	60.5	Low	64.7	Low	133 Å²	133	89.7 Å²	89.7	82%	0.816	50%	0.503	S	S	*	.			trans	-53.8	107.7	168.9	12.1	0	0	0	0	106.1	K51 N55	K51-T53 VanDerWaalsContact C-N 3.31Å; K51-T53 PolarHBondContact O-N 2.84Å; T53-N55 PolarHBondContact O-N 3.14Å; T53-N55 VanDerWaalsContact O-N 3.14Å
54	K	80.6	Confident	67	Low	108 Å²	108	88.5 Å²	88.5	47%	0.47	50%	0.504	S	S	.	.			trans	-47.4	122.7	179.6	-156.4	-179.5	-173.4	-173.7	0	107.1	C52 P59 E60 S61	C52-K54 PolarHBondContact O-N 3.44Å; K54-P59 WeakPolarHBondContact CE-O 3.39Å; K54-P59 PolarHBondContact NZ-O 3.45Å; K54-E60 IonicContact NZ-OE2 3.76Å; K54-S61 VanDerWaalsContact CD-OG 3.27Å; K54-S61 WeakPolarHBondContact CD-OG 3.47Å; K54-S61 VanDerWaalsContact CG-OG 3.28Å; K54-S61 WeakPolarHBondContact CG-OG 3.38Å
55	N	91	Very high	69.6	Low	22 Å²	22	83 Å²	83	12%	0.118	49%	0.485	C	S	.	.			trans	-54.5	133.8	-174.8	-179.3	-54.6	0	0	0	109	T53 L57 S58 S61 N176 T177 H178	T53-N55 PolarHBondContact O-N 3.14Å; T53-N55 VanDerWaalsContact O-N 3.14Å; N55-L57 PolarHBondContact O-N 3.3Å; N55-L57 PolarHBondContact OD1-N 3.28Å; N55-S58 VanDerWaalsContact O-CB 3.24Å; N55-S58 WeakPolarHBondContact O-CB 3.12Å; N55-S58 PolarHBondContact O-N 3.28Å; N55-S61 WeakPolarHBondContact O-CB 3.45Å; N55-S61 PolarHBondContact O-OG 3.42Å; N55-N176 PolarHBondContact ND2-OD1 2.75Å; N55-N176 PolarHBondContact OD1-ND2 3.39Å; N55-N176 PolarHBondContact OD1-OD1 3.39Å; N55-T177 PolarHBondContact ND2-OG1 3Å; N55-H178 PolarHBondContact ND2-N 3.34Å
56	P	91.9	Very high	72.4	Confident	57 Å²	57	80.1 Å²	80.1	37%	0.37	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-27.1	-175.4	-28.4	35.1	0	0	0	114.9	R63 T69	P56-R63 WeakPolarHBondContact O-CG 3.45Å; P56-T69 PolarHBondContact O-OG1 3.19Å
57	L	94.2	Very high	75.2	Confident	15 Å²	15	79.4 Å²	79.4	8%	0.079	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-12.9	178.5	-62.1	-175.2	0	0	0	113.6	N55 Y72 F78 V120 N176 H178 H180	N55-L57 PolarHBondContact O-N 3.3Å; N55-L57 PolarHBondContact OD1-N 3.28Å; L57-Y72 WeakPolarHBondContact O-CE1 3.38Å; L57-Y72 PolarHBondContact O-OH 2.59Å; L57-F78 HydrophobicContact CD2-CE1 4.12Å; L57-F78 HydrophobicContact CD2-CZ 3.57Å; L57-V120 HydrophobicContact CD1-CG1 4.47Å; L57-N176 WeakPolarHBondContact CD1-ND2 3.42Å; L57-N176 WeakPolarHBondContact CG-ND2 3.46Å; L57-H178 HydrophobicContact CB-CB 3.92Å; L57-H178 HydrophobicContact CD1-CB 4.19Å; L57-H180 HydrophobicContact CD1-CB 4.18Å
58	S	94.7	Very high	78.2	Confident	10 Å²	10	79.5 Å²	79.5	7%	0.07	47%	0.468	C	S	.	.	S	Bend	trans	-69	155.2	177	-66.4	0	0	0	0	112.1	N55 E60 S61 S127	N55-S58 VanDerWaalsContact O-CB 3.24Å; N55-S58 WeakPolarHBondContact O-CB 3.12Å; N55-S58 PolarHBondContact O-N 3.28Å; S58-E60 PolarHBondContact O-N 3.01Å; S58-S61 WeakPolarHBondContact O-CB 3.4Å; S58-S61 PolarHBondContact O-N 2.87Å; S58-S61 VanDerWaalsContact O-N 3.15Å; S58-S61 PolarHBondContact O-OG 2.61Å; S58-S127 PolarHBondContact OG-OG 3.43Å
59	P	95.6	Very high	81	Confident	14 Å²	14	72.5 Å²	72.5	9%	0.091	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	138.1	177.5	-29.1	35.7	0	0	0	112.9	K54 S61 P70 Y72 P125	K54-P59 WeakPolarHBondContact CE-O 3.39Å; K54-P59 PolarHBondContact NZ-O 3.45Å; P59-S61 PolarHBondContact O-N 3.47Å; P59-S61 VanDerWaalsContact O-N 3.12Å; P59-S61 PolarHBondContact O-OG 3.49Å; P59-P70 WeakPolarHBondContact CA-O 3.34Å; P59-Y72 HydrophobicContact CB-CD1 4.46Å; P59-Y72 HydrophobicContact CB-CE1 4.37Å; P59-Y72 HydrophobicContact CG-CD1 4.07Å; P59-Y72 HydrophobicContact CG-CE1 3.73Å; P59-Y72 HydrophobicContact CG-CE2 4.38Å; P59-Y72 HydrophobicContact CG-CG 4.48Å; P59-P125 WeakPolarHBondContact CD-O 3.39Å; P59-P125 HydrophobicContact CG-CB 3.53Å
60	E	94.5	Very high	84	Confident	115 Å²	115	70.9 Å²	70.9	54%	0.537	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	21.5	178	-47	174.4	137.8	0	0	114.8	K54 S58 T69 N71	K54-E60 IonicContact NZ-OE2 3.76Å; S58-E60 PolarHBondContact O-N 3.01Å; E60-T69 WeakPolarHBondContact CA-O 3.39Å; E60-T69 PolarHBondContact N-O 3.32Å; E60-N71 HydrophobicContact CG-CB 3.8Å; E60-N71 PolarHBondContact OE1-ND2 3.4Å
61	S	93.3	Very high	86.6	Confident	5 Å²	5	69.3 Å²	69.3	4%	0.035	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-95.1	155.8	175.4	-48.1	0	0	0	0	110.8	K54 N55 S58 P59 T69	K54-S61 VanDerWaalsContact CD-OG 3.27Å; K54-S61 WeakPolarHBondContact CD-OG 3.47Å; K54-S61 VanDerWaalsContact CG-OG 3.28Å; K54-S61 WeakPolarHBondContact CG-OG 3.38Å; N55-S61 WeakPolarHBondContact O-CB 3.45Å; N55-S61 PolarHBondContact O-OG 3.42Å; S58-S61 WeakPolarHBondContact O-CB 3.4Å; S58-S61 PolarHBondContact O-N 2.87Å; S58-S61 VanDerWaalsContact O-N 3.15Å; S58-S61 PolarHBondContact O-OG 2.61Å; P59-S61 PolarHBondContact O-N 3.47Å; P59-S61 VanDerWaalsContact O-N 3.12Å; P59-S61 PolarHBondContact O-OG 3.49Å; S61-T69 PolarHBondContact O-N 3.35Å
62	V	93.2	Very high	89.3	Confident	91 Å²	91	60.7 Å²	60.7	55%	0.552	36%	0.363	S	S	*	.	B	Isolated β-bridge	trans	-88.5	123.8	176.3	-177.4	0	0	0	0	108.7
63	R	93.2	Very high	91.7	Very high	17 Å²	17	61.7 Å²	61.7	6%	0.064	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-79.6	170.3	174.9	-60.7	-160.4	-56.2	-86.6	6.2	111.7	P56 S65 G66 L67 T69 F78 D81	P56-R63 WeakPolarHBondContact O-CG 3.45Å; R63-S65 PolarHBondContact O-N 3.47Å; R63-G66 WeakPolarHBondContact O-CA 3.25Å; R63-G66 PolarHBondContact O-N 3.17Å; R63-L67 PolarHBondContact N-O 3.48Å; R63-L67 VanDerWaalsContact NH2-CB 3.35Å; R63-L67 VanDerWaalsContact NH2-CD1 3.25Å; R63-T69 VanDerWaalsContact CG-OG1 3.28Å; R63-T69 WeakPolarHBondContact CG-OG1 3.46Å; R63-T69 PolarHBondContact NH1-OG1 3.2Å; R63-F78 VanDerWaalsContact CD-CE2 3.45Å; R63-F78 VanDerWaalsContact NE-CE2 3.32Å; R63-D81 VanDerWaalsContact CB-OD2 3.3Å; R63-D81 WeakPolarHBondContact CB-OD2 3.32Å; R63-D81 WeakPolarHBondContact CD-OD2 3.35Å; R63-D81 IonicContact CZ-OD1 3.17Å; R63-D81 IonicContact NE-OD1 3.39Å; R63-D81 PolarHBondContact NE-OD1 2.81Å; R63-D81 IonicContact NE-OD2 3.93Å; R63-D81 PolarHBondContact NE-OD2 2.93Å; R63-D81 IonicContact NH2-OD1 2.79Å; R63-D81 PolarHBondContact NH2-OD1 3.24Å
64	A	89.5	Confident	93.5	Very high	77 Å²	77	57.7 Å²	57.7	64%	0.636	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.3	179.4	0	0	0	0	0	113.5	G66 F82	A64-G66 PolarHBondContact O-N 3.33Å; A64-F82 HydrophobicContact CB-CE2 3.45Å; A64-F82 VanDerWaalsContact CB-CE2 3.45Å; A64-F82 HydrophobicContact CB-CZ 3.75Å
65	S	91.1	Very high	94.3	Very high	57 Å²	57	54 Å²	54	40%	0.399	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-7.9	171.6	54.5	0	0	0	0	114.4	R63 L67 D81	R63-S65 PolarHBondContact O-N 3.47Å; S65-L67 PolarHBondContact O-N 3.31Å; S65-L67 WeakPolarHBondContact OG-CB 3.46Å; S65-L67 WeakPolarHBondContact OG-CG 3.45Å; S65-L67 PolarHBondContact OG-N 2.99Å; S65-D81 VanDerWaalsContact CB-OD1 3.22Å; S65-D81 WeakPolarHBondContact CB-OD1 3.22Å; S65-D81 PolarHBondContact OG-OD1 3.29Å; S65-D81 PolarHBondContact OG-OD2 3.21Å
66	G	93.2	Very high	94.7	Very high	51 Å²	51	55.5 Å²	55.5	53%	0.526	32%	0.324	S	S	.	.	S	Bend	trans	82.4	-4.9	-169.5	0	0	0	0	0	114.1	R63 A64	R63-G66 WeakPolarHBondContact O-CA 3.25Å; R63-G66 PolarHBondContact O-N 3.17Å; A64-G66 PolarHBondContact O-N 3.33Å
67	L	94.2	Very high	95	Very high	97 Å²	97	54.1 Å²	54.1	51%	0.508	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-70.9	144.2	174.9	-65	175.4	0	0	0	111.1	R63 S65	R63-L67 PolarHBondContact N-O 3.48Å; R63-L67 VanDerWaalsContact NH2-CB 3.35Å; R63-L67 VanDerWaalsContact NH2-CD1 3.25Å; S65-L67 PolarHBondContact O-N 3.31Å; S65-L67 WeakPolarHBondContact OG-CB 3.46Å; S65-L67 WeakPolarHBondContact OG-CG 3.45Å; S65-L67 PolarHBondContact OG-N 2.99Å
68	I	94.4	Very high	95.1	Very high	122 Å²	122	54.1 Å²	54.1	63%	0.626	31%	0.314	S	S	*	.	B	Isolated β-bridge	trans	-88.7	126.8	177.2	-60.7	173.1	0	0	0	109
69	T	94.6	Very high	95.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-68.7	128.3	171.1	-61.3	0	0	0	0	109	P56 E60 S61 R63 Y72 Y76	P56-T69 PolarHBondContact O-OG1 3.19Å; E60-T69 WeakPolarHBondContact CA-O 3.39Å; E60-T69 PolarHBondContact N-O 3.32Å; S61-T69 PolarHBondContact O-N 3.35Å; R63-T69 VanDerWaalsContact CG-OG1 3.28Å; R63-T69 WeakPolarHBondContact CG-OG1 3.46Å; R63-T69 PolarHBondContact NH1-OG1 3.2Å; T69-Y72 HydrophobicContact CG2-CD1 3.8Å; T69-Y72 HydrophobicContact CG2-CE1 3.53Å; T69-Y76 HydrophobicContact CG2-CD1 4.08Å; T69-Y76 HydrophobicContact CG2-CE1 3.98Å
70	P	95.8	Very high	95.2	Very high	55 Å²	55	59.2 Å²	59.2	36%	0.357	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-62.3	164.3	-179.4	26.9	-34.5	0	0	0	111.5	P59 Y72 Y76	P59-P70 WeakPolarHBondContact CA-O 3.34Å; P70-Y72 VanDerWaalsContact O-CD1 3.3Å; P70-Y72 WeakPolarHBondContact O-CD1 3.32Å; P70-Y72 PolarHBondContact O-N 3.23Å; P70-Y76 WeakPolarHBondContact CD-OH 2.96Å; P70-Y76 HydrophobicContact CG-CD1 4.34Å; P70-Y76 HydrophobicContact CG-CD2 3.91Å; P70-Y76 HydrophobicContact CG-CE1 3.93Å; P70-Y76 HydrophobicContact CG-CE2 3.47Å; P70-Y76 VanDerWaalsContact CG-CE2 3.47Å; P70-Y76 HydrophobicContact CG-CG 4.33Å; P70-Y76 VanDerWaalsContact CG-CZ 3.47Å
71	N	96.6	Very high	95.2	Very high	90 Å²	90	55.7 Å²	55.7	48%	0.481	32%	0.321	S	S	.	.			trans	-76.6	62.9	174	-168.3	3.1	0	0	0	111.8	E60 Q73	E60-N71 HydrophobicContact CG-CB 3.8Å; E60-N71 PolarHBondContact OE1-ND2 3.4Å; N71-Q73 PolarHBondContact O-NE2 2.97Å; N71-Q73 PolarHBondContact OD1-NE2 2.95Å
72	Y	97.4	Very high	95.3	Very high	18 Å²	18	62.4 Å²	62.4	7%	0.071	35%	0.35	C	S	.	.			trans	-73.5	143.7	-177.7	70	-90.4	0	0	0	111.3	L57 P59 T69 P70 S74 Y76 C122 H124 P125 H178	L57-Y72 WeakPolarHBondContact O-CE1 3.38Å; L57-Y72 PolarHBondContact O-OH 2.59Å; P59-Y72 HydrophobicContact CB-CD1 4.46Å; P59-Y72 HydrophobicContact CB-CE1 4.37Å; P59-Y72 HydrophobicContact CG-CD1 4.07Å; P59-Y72 HydrophobicContact CG-CE1 3.73Å; P59-Y72 HydrophobicContact CG-CE2 4.38Å; P59-Y72 HydrophobicContact CG-CG 4.48Å; T69-Y72 HydrophobicContact CG2-CD1 3.8Å; T69-Y72 HydrophobicContact CG2-CE1 3.53Å; P70-Y72 VanDerWaalsContact O-CD1 3.3Å; P70-Y72 WeakPolarHBondContact O-CD1 3.32Å; P70-Y72 PolarHBondContact O-N 3.23Å; Y72-S74 WeakPolarHBondContact CD2-O 3.5Å; Y72-S74 VanDerWaalsContact CE2-O 3.26Å; Y72-S74 WeakPolarHBondContact CE2-O 3.48Å; Y72-Y76 AromaticContact CD1-CD1 3.96Å; Y72-Y76 HydrophobicContact CD1-CD1 3.96Å; Y72-Y76 AromaticContact CD1-CG 3.97Å; Y72-Y76 HydrophobicContact CD1-CG 3.97Å; Y72-Y76 HydrophobicContact CE1-CD1 4.23Å; Y72-Y76 VanDerWaalsContact CG-CB 3.49Å; Y72-Y76 HydrophobicContact CG-CG 4.11Å; Y72-C122 HydrophobicContact CE2-CB 4.19Å; Y72-H124 PolarHBondContact OH-O 3.01Å; Y72-P125 HydrophobicContact CD2-CB 4.4Å; Y72-P125 HydrophobicContact CE2-CB 4Å; Y72-H178 PolarHBondContact OH-CE1 3.01Å; Y72-H178 PolarHBondContact OH-NE2 2.95Å
73	Q	97	Very high	95.3	Very high	141 Å²	141	61.5 Å²	61.5	66%	0.659	35%	0.346	S	S	*	.	S	Bend	trans	-106.1	-5.2	-175	-57.1	-56.4	-54.7	0	0	113.6	N71	N71-Q73 PolarHBondContact O-NE2 2.97Å; N71-Q73 PolarHBondContact OD1-NE2 2.95Å
74	S	97.5	Very high	95.4	Very high	49 Å²	49	63.7 Å²	63.7	34%	0.343	37%	0.368	S	S	.	.	S	Bend	trans	-148.3	-123.3	-177	-177.8	0	0	0	0	109.6	Y72 P141	Y72-S74 WeakPolarHBondContact CD2-O 3.5Å; Y72-S74 VanDerWaalsContact CE2-O 3.26Å; Y72-S74 WeakPolarHBondContact CE2-O 3.48Å; S74-P141 WeakPolarHBondContact OG-CB 3.43Å
75	V	98.3	Very high	95.6	Very high	31 Å²	31	60.7 Å²	60.7	19%	0.188	34%	0.341	C	S	.	.			trans	-82.3	139.7	177.5	-179.9	0	0	0	0	110.3	T121 C122 P141 V142 E145	V75-T121 HydrophobicContact CG1-CG2 3.56Å; V75-C122 VanDerWaalsContact CA-O 3.32Å; V75-C122 WeakPolarHBondContact CA-O 3.43Å; V75-C122 WeakPolarHBondContact CG1-O 3.33Å; V75-P141 HydrophobicContact CG2-CB 3.75Å; V75-V142 HydrophobicContact CG2-CB 4.36Å; V75-V142 HydrophobicContact CG2-CG2 3.7Å; V75-E145 HydrophobicContact CG1-CB 3.71Å; V75-E145 HydrophobicContact CG1-CG 3.66Å
76	Y	98.3	Very high	95.5	Very high	54 Å²	54	62.4 Å²	62.4	21%	0.212	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	122.9	175.7	174.5	-120.6	0	0	0	110.8	T69 P70 Y72 F78 T121 C122	T69-Y76 HydrophobicContact CG2-CD1 4.08Å; T69-Y76 HydrophobicContact CG2-CE1 3.98Å; P70-Y76 WeakPolarHBondContact CD-OH 2.96Å; P70-Y76 HydrophobicContact CG-CD1 4.34Å; P70-Y76 HydrophobicContact CG-CD2 3.91Å; P70-Y76 HydrophobicContact CG-CE1 3.93Å; P70-Y76 HydrophobicContact CG-CE2 3.47Å; P70-Y76 VanDerWaalsContact CG-CE2 3.47Å; P70-Y76 HydrophobicContact CG-CG 4.33Å; P70-Y76 VanDerWaalsContact CG-CZ 3.47Å; Y72-Y76 AromaticContact CD1-CD1 3.96Å; Y72-Y76 HydrophobicContact CD1-CD1 3.96Å; Y72-Y76 AromaticContact CD1-CG 3.97Å; Y72-Y76 HydrophobicContact CD1-CG 3.97Å; Y72-Y76 HydrophobicContact CE1-CD1 4.23Å; Y72-Y76 VanDerWaalsContact CG-CB 3.49Å; Y72-Y76 HydrophobicContact CG-CG 4.11Å; Y76-F78 AromaticContact CD1-CD1 3.68Å; Y76-F78 HydrophobicContact CD1-CD1 3.68Å; Y76-F78 HydrophobicContact CD1-CE1 4.23Å; Y76-F78 HydrophobicContact CE1-CB 3.97Å; Y76-F78 AromaticContact CE1-CD1 3.31Å; Y76-F78 HydrophobicContact CE1-CD1 3.31Å; Y76-F78 HydrophobicContact CE1-CE1 4.06Å; Y76-F78 AromaticContact CE1-CG 3.83Å; Y76-F78 HydrophobicContact CE1-CG 3.83Å; Y76-F78 HydrophobicContact CE2-CB 4.45Å; Y76-T121 CarbonylContact O-C 3.48Å; Y76-T121 WeakPolarHBondContact O-CA 3.34Å; Y76-C122 PolarHBondContact N-O 3.09Å; Y76-C122 PolarHBondContact O-N 3.27Å
77	T	98.3	Very high	94.9	Very high	27 Å²	27	63.7 Å²	63.7	17%	0.166	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136	176.2	-57.4	0	0	0	0	110.9	L119 V120 T121 E145 I149	T77-L119 HydrophobicContact CG2-CB 3.89Å; T77-L119 HydrophobicContact CG2-CD1 3.91Å; T77-L119 HydrophobicContact CG2-CG 4.41Å; T77-V120 VanDerWaalsContact CA-O 3.27Å; T77-V120 WeakPolarHBondContact CA-O 3.4Å; T77-T121 WeakPolarHBondContact OG1-CG2 3.29Å; T77-T121 PolarHBondContact OG1-OG1 2.93Å; T77-E145 WeakPolarHBondContact CB-OE1 3.19Å; T77-E145 WeakPolarHBondContact OG1-CG 3.33Å; T77-E145 PolarHBondContact OG1-OE1 3.08Å; T77-I149 HydrophobicContact CG2-CD1 3.73Å
78	F	97.1	Very high	93.6	Very high	15 Å²	15	61.5 Å²	61.5	7%	0.066	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	164.7	177	63.3	-78.6	0	0	0	110.9	L57 R63 Y76 L119 V120	L57-F78 HydrophobicContact CD2-CE1 4.12Å; L57-F78 HydrophobicContact CD2-CZ 3.57Å; R63-F78 VanDerWaalsContact CD-CE2 3.45Å; R63-F78 VanDerWaalsContact NE-CE2 3.32Å; Y76-F78 AromaticContact CD1-CD1 3.68Å; Y76-F78 HydrophobicContact CD1-CD1 3.68Å; Y76-F78 HydrophobicContact CD1-CE1 4.23Å; Y76-F78 HydrophobicContact CE1-CB 3.97Å; Y76-F78 AromaticContact CE1-CD1 3.31Å; Y76-F78 HydrophobicContact CE1-CD1 3.31Å; Y76-F78 HydrophobicContact CE1-CE1 4.06Å; Y76-F78 AromaticContact CE1-CG 3.83Å; Y76-F78 HydrophobicContact CE1-CG 3.83Å; Y76-F78 HydrophobicContact CE2-CB 4.45Å; F78-L119 CarbonylContact O-C 3.51Å; F78-L119 VanDerWaalsContact O-CA 3.28Å; F78-L119 WeakPolarHBondContact O-CA 3.41Å; F78-V120 HydrophobicContact CD1-CB 4.37Å; F78-V120 HydrophobicContact CE1-CB 3.76Å; F78-V120 HydrophobicContact CE1-CG1 3.71Å; F78-V120 HydrophobicContact CE2-CB 4.1Å; F78-V120 HydrophobicContact CE2-CG2 4.44Å; F78-V120 HydrophobicContact CZ-CB 3.58Å; F78-V120 HydrophobicContact CZ-CG1 3.66Å; F78-V120 HydrophobicContact CZ-CG2 4.22Å; F78-V120 PolarHBondContact N-O 2.83Å; F78-V120 PolarHBondContact O-N 3.24Å
79	H	96	Very high	91.9	Very high	98 Å²	98	63.2 Å²	63.2	45%	0.454	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	136.1	173.9	-66.4	-89.5	0	0	0	110.3	D81 D117 L119	H79-D81 PolarHBondContact O-N 2.7Å; H79-D117 IonicContact CE1-OD1 3.96Å; H79-D117 PolarHBondContact CE1-OD1 3.42Å; H79-D117 IonicContact CE1-OD2 3.6Å; H79-D117 PolarHBondContact CE1-OD2 2.9Å; H79-D117 IonicContact ND1-OD1 3.1Å; H79-D117 PolarHBondContact ND1-OD1 3.35Å; H79-D117 IonicContact ND1-OD2 3.44Å; H79-D117 PolarHBondContact ND1-OD2 3.18Å; H79-L119 HydrophobicContact CB-CD2 4.43Å; H79-L119 WeakPolarHBondContact ND1-CD2 3.48Å
80	N	95.8	Very high	90.1	Very high	33 Å²	33	65.3 Å²	65.3	18%	0.176	37%	0.366	C	S	.	.			trans	-58.9	131.2	177.5	-166.2	-38.9	0	0	0	109.3	F82 P83 C118 V120 Q182	N80-F82 PolarHBondContact O-N 3.35Å; N80-F82 PolarHBondContact OD1-N 2.83Å; N80-F82 PolarHBondContact OD1-O 3.38Å; N80-P83 WeakPolarHBondContact O-CD 3.36Å; N80-C118 HydrophobicContact CB-CB 3.91Å; N80-C118 WeakPolarHBondContact CB-O 3.38Å; N80-C118 PolarHBondContact N-O 3.43Å; N80-V120 HydrophobicContact CB-CG2 3.96Å; N80-Q182 PolarHBondContact ND2-OE1 2.75Å
81	D	94.6	Very high	87.9	Confident	41 Å²	41	71.3 Å²	71.3	22%	0.219	40%	0.395	C	S	.	.	S	Bend	trans	-64.4	-21.8	179.4	-63.5	-48.4	0	0	0	112.1	R63 S65 H79	R63-D81 VanDerWaalsContact CB-OD2 3.3Å; R63-D81 WeakPolarHBondContact CB-OD2 3.32Å; R63-D81 WeakPolarHBondContact CD-OD2 3.35Å; R63-D81 IonicContact CZ-OD1 3.17Å; R63-D81 IonicContact NE-OD1 3.39Å; R63-D81 PolarHBondContact NE-OD1 2.81Å; R63-D81 IonicContact NE-OD2 3.93Å; R63-D81 PolarHBondContact NE-OD2 2.93Å; R63-D81 IonicContact NH2-OD1 2.79Å; R63-D81 PolarHBondContact NH2-OD1 3.24Å; S65-D81 VanDerWaalsContact CB-OD1 3.22Å; S65-D81 WeakPolarHBondContact CB-OD1 3.22Å; S65-D81 PolarHBondContact OG-OD1 3.29Å; S65-D81 PolarHBondContact OG-OD2 3.21Å; H79-D81 PolarHBondContact O-N 2.7Å
82	F	94.2	Very high	85.8	Confident	147 Å²	147	69.8 Å²	69.8	65%	0.645	39%	0.391	S	S	*	.	S	Bend	trans	-131.1	76.1	176	-52.8	-74.2	0	0	0	110.3	A64 N80	A64-F82 HydrophobicContact CB-CE2 3.45Å; A64-F82 VanDerWaalsContact CB-CE2 3.45Å; A64-F82 HydrophobicContact CB-CZ 3.75Å; N80-F82 PolarHBondContact O-N 3.35Å; N80-F82 PolarHBondContact OD1-N 2.83Å; N80-F82 PolarHBondContact OD1-O 3.38Å
83	P	94.8	Very high	84	Confident	72 Å²	72	73.8 Å²	73.8	47%	0.468	41%	0.41	S	S	.	.			trans	-68.9	138.7	-175.4	30	-34.7	0	0	0	111.4	N80 C118	N80-P83 WeakPolarHBondContact O-CD 3.36Å; P83-C118 HydrophobicContact CB-CB 3.86Å
84	A	95.3	Very high	82.7	Confident	63 Å²	63	69 Å²	69	52%	0.521	39%	0.392	S	S	.	.	S	Bend	trans	-80.2	-20.1	175.1	0	0	0	0	0	112.8	C118 W184	A84-C118 PolarHBondContact N-SG 3.42Å; A84-C118 VanDerWaalsContact N-SG 3.44Å; A84-W184 HydrophobicContact CB-CH2 3.75Å; A84-W184 HydrophobicContact CB-CZ2 3.95Å; A84-W184 HydrophobicContact CB-CZ3 4.12Å
85	L	94.1	Very high	81.5	Confident	14 Å²	14	66.9 Å²	66.9	7%	0.073	38%	0.377	C	S	.	.	S	Bend	trans	-110.1	144.9	-179.4	-57.3	176.1	0	0	0	109.9	N87 A114 W184 A185 F188	L85-N87 PolarHBondContact O-N 3.49Å; L85-A114 HydrophobicContact CD2-CB 4.1Å; L85-W184 HydrophobicContact CD1-CB 4.23Å; L85-A185 WeakPolarHBondContact CD1-O 3.41Å; L85-F188 HydrophobicContact CD2-CE1 4.19Å; L85-F188 HydrophobicContact CD2-CZ 4.2Å
86	V	88.1	Confident	80.3	Confident	93 Å²	93	66.6 Å²	66.6	56%	0.564	38%	0.377	S	S	*	.	B	Isolated β-bridge	trans	-77.5	115.8	178.3	-177.5	0	0	0	0	108.7	V88 A114 Q115 G116	V86-V88 HydrophobicContact CG1-CG2 4.39Å; V86-V88 PolarHBondContact O-N 2.83Å; V86-A114 PolarHBondContact N-O 2.83Å; V86-Q115 WeakPolarHBondContact O-CA 3.33Å; V86-G116 CarbonylContact C-O 3.49Å; V86-G116 PolarHBondContact O-N 3.42Å
87	N	80.7	Confident	79.3	Confident	77 Å²	77	68 Å²	68	41%	0.412	39%	0.388	S	S	.	.			trans	-70.1	122.8	174.1	-168.1	-43	0	0	0	109.2	L85 N89 G116	L85-N87 PolarHBondContact O-N 3.49Å; N87-N89 PolarHBondContact OD1-OD1 2.89Å; N87-G116 VanDerWaalsContact CA-O 3.28Å; N87-G116 WeakPolarHBondContact CA-O 3.43Å; N87-G116 PolarHBondContact N-O 2.9Å
88	V	66.8	Low	78.4	Confident	51 Å²	51	68.7 Å²	68.7	31%	0.309	39%	0.392	S	S	.	.			trans	-116.8	111.6	174.4	-162.3	0	0	0	0	108.5	V86 G90 Q115	V86-V88 HydrophobicContact CG1-CG2 4.39Å; V86-V88 PolarHBondContact O-N 2.83Å; V88-G90 PolarHBondContact O-N 3.18Å; V88-Q115 HydrophobicContact CG2-CB 3.99Å; V88-Q115 HydrophobicContact CG2-CG 3.58Å
89	N	58.7	Low	77.9	Confident	158 Å²	158	70 Å²	70	85%	0.845	40%	0.402	S	S	*	.			trans	-79.6	99.3	169.1	-71	-33.6	0	0	0	108.1	N87	N87-N89 PolarHBondContact OD1-OD1 2.89Å
90	G	56.1	Low	77.4	Confident	45 Å²	45	72.1 Å²	72.1	46%	0.464	41%	0.411	S	S	.	.	S	Bend	trans	137.1	-174.6	169.7	0	0	0	0	0	115	V88 C92	V88-G90 PolarHBondContact O-N 3.18Å; G90-C92 PolarHBondContact O-N 2.97Å
91	D	51.2	Low	77.1	Confident	181 Å²	181	76.1 Å²	76.1	97%	0.968	42%	0.423	S	S	*	.			trans	-63	99.6	176	-63.9	-30.3	0	0	0	109.2
92	C	51.7	Low	77	Confident	57 Å²	57	75.2 Å²	75.2	39%	0.385	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-95.3	132.1	167.6	-121.3	0	0	0	0	109.3	G90 S94 Q115	G90-C92 PolarHBondContact O-N 2.97Å; C92-S94 PolarHBondContact O-N 3.31Å; C92-Q115 VanDerWaalsContact CB-OE1 3.27Å; C92-Q115 PolarHBondContact SG-NE2 3.31Å; C92-Q115 PolarHBondContact SG-OE1 3Å
93	E	59.6	Low	76.9	Confident	102 Å²	102	71.8 Å²	71.8	48%	0.477	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-49.8	135	165.3	-154.2	180	-162.4	0	0	107.5	V95 R101	E93-V95 PolarHBondContact O-N 3.06Å; E93-R101 IonicContact OE1-CZ 3.36Å; E93-R101 IonicContact OE1-NH1 2.72Å; E93-R101 PolarHBondContact OE1-NH1 2.98Å; E93-R101 IonicContact OE1-NH2 3.16Å; E93-R101 PolarHBondContact OE1-NH2 3.38Å; E93-R101 VanDerWaalsContact OE1-NH2 3.16Å; E93-R101 IonicContact OE2-NH1 3.48Å; E93-R101 PolarHBondContact OE2-NH1 3.19Å
94	S	69.4	Low	76.9	Confident	41 Å²	41	76.3 Å²	76.3	29%	0.287	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-49.1	116.9	-176.7	165.2	0	0	0	0	109.8	C92 S96 L97 T98	C92-S94 PolarHBondContact O-N 3.31Å; S94-S96 PolarHBondContact O-N 3.46Å; S94-L97 WeakPolarHBondContact O-CA 3.39Å; S94-L97 WeakPolarHBondContact O-CB 3.33Å; S94-L97 PolarHBondContact O-N 3.34Å; S94-T98 PolarHBondContact O-N 2.9Å; S94-T98 VanDerWaalsContact O-N 3.16Å; S94-T98 PolarHBondContact O-OG1 3.21Å
95	V	72.1	Confident	76.9	Confident	5 Å²	5	81.1 Å²	81.1	3%	0.03	44%	0.438	C	S	.	.	H	α-helix	trans	-53.2	-32.4	-179.1	178.1	0	0	0	0	111	E93 T98 S99 P113 Q115 F188	E93-V95 PolarHBondContact O-N 3.06Å; V95-T98 PolarHBondContact O-N 3.26Å; V95-S99 WeakPolarHBondContact O-CB 3.28Å; V95-S99 PolarHBondContact O-N 2.87Å; V95-S99 PolarHBondContact O-OG 2.91Å; V95-P113 WeakPolarHBondContact CG1-O 3.36Å; V95-Q115 HydrophobicContact CG2-CB 3.88Å; V95-Q115 HydrophobicContact CG2-CG 4.08Å; V95-F188 HydrophobicContact CB-CB 4.21Å; V95-F188 HydrophobicContact CG1-CB 3.91Å; V95-F188 HydrophobicContact CG1-CD1 4.02Å; V95-F188 HydrophobicContact CG1-CG 4.34Å
96	S	72.8	Confident	77	Confident	24 Å²	24	83.8 Å²	83.8	17%	0.168	45%	0.452	C	S	.	.	H	α-helix	trans	-62	-43.7	174.6	-61.6	0	0	0	0	111.6	S94 S99 F100 Q160	S94-S96 PolarHBondContact O-N 3.46Å; S96-S99 WeakPolarHBondContact O-CB 3.31Å; S96-S99 PolarHBondContact O-N 2.94Å; S96-F100 WeakPolarHBondContact O-CD2 3.18Å; S96-F100 PolarHBondContact O-N 3.47Å; S96-Q160 VanDerWaalsContact OG-CD 3.3Å; S96-Q160 PolarHBondContact OG-NE2 3.02Å; S96-Q160 PolarHBondContact OG-OE1 3.47Å
97	L	77.7	Confident	77.4	Confident	85 Å²	85	84 Å²	84	45%	0.445	46%	0.455	S	S	.	.	H	α-helix	trans	-62.7	-43.7	175.4	-66.8	175.1	0	0	0	111.5	S94 S99 F100 R101	S94-L97 WeakPolarHBondContact O-CA 3.39Å; S94-L97 WeakPolarHBondContact O-CB 3.33Å; S94-L97 PolarHBondContact O-N 3.34Å; L97-S99 VanDerWaalsContact C-N 3.28Å; L97-S99 PolarHBondContact O-N 2.79Å; L97-F100 PolarHBondContact O-N 3.45Å; L97-R101 WeakPolarHBondContact O-CG 3.34Å; L97-R101 PolarHBondContact O-N 3.49Å
98	T	80.9	Confident	78.1	Confident	41 Å²	41	87.3 Å²	87.3	25%	0.252	47%	0.472	S	S	.	.	H	α-helix	trans	-60.5	-40.4	175.8	-32.4	0	0	0	0	111.3	S94 V95 S102	S94-T98 PolarHBondContact O-N 2.9Å; S94-T98 VanDerWaalsContact O-N 3.16Å; S94-T98 PolarHBondContact O-OG1 3.21Å; V95-T98 PolarHBondContact O-N 3.26Å; T98-S102 WeakPolarHBondContact O-CB 3.49Å; T98-S102 PolarHBondContact O-N 2.95Å
99	S	84.7	Confident	79.5	Confident	41 Å²	41	92.4 Å²	92.4	29%	0.287	49%	0.491	S	S	.	.	H	α-helix	trans	-62.6	-46.3	176.5	-55.2	0	0	0	0	111.9	V95 S96 L97 S102 V103 A112	V95-S99 WeakPolarHBondContact O-CB 3.28Å; V95-S99 PolarHBondContact O-N 2.87Å; V95-S99 PolarHBondContact O-OG 2.91Å; S96-S99 WeakPolarHBondContact O-CB 3.31Å; S96-S99 PolarHBondContact O-N 2.94Å; L97-S99 VanDerWaalsContact C-N 3.28Å; L97-S99 PolarHBondContact O-N 2.79Å; S99-S102 PolarHBondContact O-N 3.48Å; S99-V103 WeakPolarHBondContact O-CG2 3.39Å; S99-V103 PolarHBondContact O-N 2.87Å; S99-A112 VanDerWaalsContact OG-CB 3.26Å; S99-A112 WeakPolarHBondContact OG-CB 3.37Å
100	F	85.8	Confident	81.3	Confident	144 Å²	144	86.9 Å²	86.9	63%	0.632	47%	0.467	S	S	*	.	H	α-helix	trans	-62.4	-47.1	178.2	-75	-64	0	0	0	112.1	S96 L97 S102 V103 E104	S96-F100 WeakPolarHBondContact O-CD2 3.18Å; S96-F100 PolarHBondContact O-N 3.47Å; L97-F100 PolarHBondContact O-N 3.45Å; F100-S102 VanDerWaalsContact C-N 3.31Å; F100-S102 PolarHBondContact O-N 2.88Å; F100-V103 PolarHBondContact O-N 3.48Å; F100-E104 PolarHBondContact O-N 3.3Å
101	R	90.1	Very high	83.1	Confident	116 Å²	116	89.7 Å²	89.7	44%	0.438	48%	0.478	S	S	.	.	H	α-helix	trans	-59.8	-41.9	177.5	-71	-177.6	-172.5	156.4	7.4	112	E93 L97 V103 E104 E105	E93-R101 IonicContact OE1-CZ 3.36Å; E93-R101 IonicContact OE1-NH1 2.72Å; E93-R101 PolarHBondContact OE1-NH1 2.98Å; E93-R101 IonicContact OE1-NH2 3.16Å; E93-R101 PolarHBondContact OE1-NH2 3.38Å; E93-R101 VanDerWaalsContact OE1-NH2 3.16Å; E93-R101 IonicContact OE2-NH1 3.48Å; E93-R101 PolarHBondContact OE2-NH1 3.19Å; L97-R101 WeakPolarHBondContact O-CG 3.34Å; L97-R101 PolarHBondContact O-N 3.49Å; R101-V103 VanDerWaalsContact C-N 3.28Å; R101-V103 PolarHBondContact O-N 3.05Å; R101-E104 PolarHBondContact O-N 3Å; R101-E104 VanDerWaalsContact O-N 3.15Å; R101-E105 WeakPolarHBondContact O-CG 3.28Å; R101-E105 PolarHBondContact O-N 2.7Å
102	S	91.6	Very high	84.9	Confident	22 Å²	22	82.6 Å²	82.6	15%	0.154	45%	0.445	C	S	.	.	H	α-helix	trans	-62.4	-35.7	178.8	-170	0	0	0	0	112.7	T98 S99 F100 N106 A110 C111	T98-S102 WeakPolarHBondContact O-CB 3.49Å; T98-S102 PolarHBondContact O-N 2.95Å; S99-S102 PolarHBondContact O-N 3.48Å; F100-S102 VanDerWaalsContact C-N 3.31Å; F100-S102 PolarHBondContact O-N 2.88Å; S102-N106 PolarHBondContact O-N 2.66Å; S102-A110 WeakPolarHBondContact OG-CA 3.36Å; S102-C111 WeakPolarHBondContact CB-O 3.3Å; S102-C111 PolarHBondContact OG-N 2.95Å; S102-C111 PolarHBondContact OG-O 2.87Å
103	V	93.3	Very high	86.7	Confident	76 Å²	76	82.9 Å²	82.9	46%	0.461	45%	0.446	S	S	.	.	H	α-helix	trans	-68.5	-40.2	174.1	175.5	0	0	0	0	111.8	S99 F100 R101 N106 P107 A110	S99-V103 WeakPolarHBondContact O-CG2 3.39Å; S99-V103 PolarHBondContact O-N 2.87Å; F100-V103 PolarHBondContact O-N 3.48Å; R101-V103 VanDerWaalsContact C-N 3.28Å; R101-V103 PolarHBondContact O-N 3.05Å; V103-N106 CarbonylContact O-C 3.55Å; V103-P107 WeakPolarHBondContact O-CA 3.47Å; V103-P107 WeakPolarHBondContact O-CB 3.48Å; V103-P107 WeakPolarHBondContact O-CD 3.45Å; V103-P107 VanDerWaalsContact O-N 3.11Å; V103-A110 HydrophobicContact CB-CB 4.25Å; V103-A110 HydrophobicContact CG2-CB 3.6Å
104	E	94.8	Very high	88.2	Confident	166 Å²	166	80.2 Å²	80.2	78%	0.776	44%	0.441	S	S	*	.	H	α-helix	trans	-65.7	-40.5	176.4	-70.5	-176.3	164.3	0	0	112.3	F100 R101	F100-E104 PolarHBondContact O-N 3.3Å; R101-E104 PolarHBondContact O-N 3Å; R101-E104 VanDerWaalsContact O-N 3.15Å
105	E	95.7	Very high	89.2	Confident	164 Å²	164	79.8 Å²	79.8	77%	0.766	44%	0.435	S	S	*	.	H	α-helix	trans	-70.8	-41.6	178.4	-71.9	175.8	-177.3	0	0	112.5	R101	R101-E105 WeakPolarHBondContact O-CG 3.28Å; R101-E105 PolarHBondContact O-N 2.7Å
106	N	95.9	Very high	90.2	Very high	70 Å²	70	79.8 Å²	79.8	37%	0.374	44%	0.436	S	S	.	.			trans	-147.2	90.5	178.8	-167.5	-25.1	0	0	0	112	S102 V103 L108 F109 A110	S102-N106 PolarHBondContact O-N 2.66Å; V103-N106 CarbonylContact O-C 3.55Å; N106-L108 PolarHBondContact O-N 3.43Å; N106-L108 PolarHBondContact OD1-N 3.25Å; N106-F109 PolarHBondContact O-N 3.25Å; N106-F109 PolarHBondContact OD1-N 2.65Å; N106-A110 PolarHBondContact O-N 3.34Å
107	P	95.1	Very high	91.2	Very high	98 Å²	98	79.3 Å²	79.3	64%	0.636	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-15.3	-172.3	24.6	-34.6	0	0	0	114.6	V103	V103-P107 WeakPolarHBondContact O-CA 3.47Å; V103-P107 WeakPolarHBondContact O-CB 3.48Å; V103-P107 WeakPolarHBondContact O-CD 3.45Å; V103-P107 VanDerWaalsContact O-N 3.11Å
108	L	97	Very high	92.1	Very high	146 Å²	146	75.3 Å²	75.3	76%	0.764	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-23.7	179.1	-63.7	179.7	0	0	0	113.4	N106	N106-L108 PolarHBondContact O-N 3.43Å; N106-L108 PolarHBondContact OD1-N 3.25Å
109	F	96.5	Very high	92.9	Very high	159 Å²	159	73.7 Å²	73.7	70%	0.697	40%	0.4	S	S	*	.	S	Bend	trans	-133.7	31.8	-173.9	-57.2	-81.1	0	0	0	112.5	N106	N106-F109 PolarHBondContact O-N 3.25Å; N106-F109 PolarHBondContact OD1-N 2.65Å
110	A	95.5	Very high	93.6	Very high	42 Å²	42	72.2 Å²	72.2	35%	0.347	39%	0.389	S	S	.	.			trans	-61.2	140.1	176.3	0	0	0	0	0	111.4	S102 V103 N106	S102-A110 WeakPolarHBondContact OG-CA 3.36Å; V103-A110 HydrophobicContact CB-CB 4.25Å; V103-A110 HydrophobicContact CG2-CB 3.6Å; N106-A110 PolarHBondContact O-N 3.34Å
111	C	93.4	Very high	94.2	Very high	103 Å²	103	65.4 Å²	65.4	70%	0.696	36%	0.359	S	S	*	.			trans	-147.2	140.1	178.3	-174.7	0	0	0	0	109.7	S102	S102-C111 WeakPolarHBondContact CB-O 3.3Å; S102-C111 PolarHBondContact OG-N 2.95Å; S102-C111 PolarHBondContact OG-O 2.87Å
112	A	90.4	Very high	94.6	Very high	32 Å²	32	59.9 Å²	59.9	26%	0.264	34%	0.338	S	S	.	.			trans	-138.1	153.3	175.9	0	0	0	0	0	110.8	S99 A114	S99-A112 VanDerWaalsContact OG-CB 3.26Å; S99-A112 WeakPolarHBondContact OG-CB 3.37Å; A112-A114 PolarHBondContact O-N 3.47Å
113	P	88.9	Confident	94.9	Very high	64 Å²	64	58.9 Å²	58.9	42%	0.416	33%	0.332	S	S	.	.			trans	-59.8	133.9	176	-23.8	34.8	0	0	0	112.5	V95 Q115	V95-P113 WeakPolarHBondContact CG1-O 3.36Å; P113-Q115 HydrophobicContact CB-CG 3.89Å; P113-Q115 PolarHBondContact O-N 3.44Å
114	A	91.1	Very high	95.1	Very high	45 Å²	45	56.3 Å²	56.3	37%	0.372	31%	0.314	S	S	.	.			trans	-89.8	83.1	169.9	0	0	0	0	0	109.8	L85 V86 A112 F188	L85-A114 HydrophobicContact CD2-CB 4.1Å; V86-A114 PolarHBondContact N-O 2.83Å; A112-A114 PolarHBondContact O-N 3.47Å; A114-F188 HydrophobicContact CB-CE1 4.2Å
115	Q	90.5	Very high	95.2	Very high	33 Å²	33	49.8 Å²	49.8	15%	0.154	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-91.1	143.6	-178.1	-60.2	173.3	-9.8	0	0	111.7	V86 V88 C92 V95 P113 G187	V86-Q115 WeakPolarHBondContact O-CA 3.33Å; V88-Q115 HydrophobicContact CG2-CB 3.99Å; V88-Q115 HydrophobicContact CG2-CG 3.58Å; C92-Q115 VanDerWaalsContact CB-OE1 3.27Å; C92-Q115 PolarHBondContact SG-NE2 3.31Å; C92-Q115 PolarHBondContact SG-OE1 3Å; V95-Q115 HydrophobicContact CG2-CB 3.88Å; V95-Q115 HydrophobicContact CG2-CG 4.08Å; P113-Q115 HydrophobicContact CB-CG 3.89Å; P113-Q115 PolarHBondContact O-N 3.44Å; Q115-G187 PolarHBondContact O-N 2.97Å
116	G	92.5	Very high	95.1	Very high	5 Å²	5	45 Å²	45	5%	0.052	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-172.8	-177.5	0	0	0	0	0	114.2	V86 N87 A185	V86-G116 CarbonylContact C-O 3.49Å; V86-G116 PolarHBondContact O-N 3.42Å; N87-G116 VanDerWaalsContact CA-O 3.28Å; N87-G116 WeakPolarHBondContact CA-O 3.43Å; N87-G116 PolarHBondContact N-O 2.9Å; G116-A185 CarbonylContact C-O 3.44Å; G116-A185 WeakPolarHBondContact CA-O 3.48Å
117	D	94.4	Very high	95	Very high	14 Å²	14	42.9 Å²	42.9	8%	0.075	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143	172.9	-161.7	-1.9	0	0	0	109.7	H79 Y153 F159 W184 A185	H79-D117 IonicContact CE1-OD1 3.96Å; H79-D117 PolarHBondContact CE1-OD1 3.42Å; H79-D117 IonicContact CE1-OD2 3.6Å; H79-D117 PolarHBondContact CE1-OD2 2.9Å; H79-D117 IonicContact ND1-OD1 3.1Å; H79-D117 PolarHBondContact ND1-OD1 3.35Å; H79-D117 IonicContact ND1-OD2 3.44Å; H79-D117 PolarHBondContact ND1-OD2 3.18Å; D117-Y153 HydrophobicContact CB-CE1 4.11Å; D117-Y153 WeakPolarHBondContact CB-OH 3.26Å; D117-Y153 VanDerWaalsContact CG-OH 3.25Å; D117-Y153 PolarHBondContact OD2-OH 2.94Å; D117-F159 HydrophobicContact CB-CE1 4.23Å; D117-F159 HydrophobicContact CB-CZ 4.15Å; D117-W184 CarbonylContact O-C 3.54Å; D117-W184 WeakPolarHBondContact O-CA 3.32Å; D117-A185 HydrophobicContact CB-CB 4.35Å; D117-A185 PolarHBondContact N-O 2.85Å; D117-A185 PolarHBondContact O-N 3.04Å
118	C	97.1	Very high	94.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118.5	-179.6	-64.8	0	0	0	0	108.6	N80 P83 A84	N80-C118 HydrophobicContact CB-CB 3.91Å; N80-C118 WeakPolarHBondContact CB-O 3.38Å; N80-C118 PolarHBondContact N-O 3.43Å; P83-C118 HydrophobicContact CB-CB 3.86Å; A84-C118 PolarHBondContact N-SG 3.42Å; A84-C118 VanDerWaalsContact N-SG 3.44Å
119	L	97.7	Very high	94.5	Very high	8 Å²	8	40.2 Å²	40.2	4%	0.042	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	152.1	176.7	-50.8	179.4	0	0	0	110.9	T77 F78 H79 I149 Y153 Q182 I183	T77-L119 HydrophobicContact CG2-CB 3.89Å; T77-L119 HydrophobicContact CG2-CD1 3.91Å; T77-L119 HydrophobicContact CG2-CG 4.41Å; F78-L119 CarbonylContact O-C 3.51Å; F78-L119 VanDerWaalsContact O-CA 3.28Å; F78-L119 WeakPolarHBondContact O-CA 3.41Å; H79-L119 HydrophobicContact CB-CD2 4.43Å; H79-L119 WeakPolarHBondContact ND1-CD2 3.48Å; L119-I149 HydrophobicContact CD1-CD1 4.35Å; L119-I149 HydrophobicContact CD1-CG2 4.25Å; L119-Y153 HydrophobicContact CD1-CE2 3.76Å; L119-Y153 WeakPolarHBondContact CD1-OH 3.39Å; L119-Q182 WeakPolarHBondContact O-CA 3.34Å; L119-I183 HydrophobicContact CB-CB 4.23Å; L119-I183 PolarHBondContact N-O 3.12Å; L119-I183 PolarHBondContact O-N 3.41Å
120	V	97.9	Very high	94.3	Very high	10 Å²	10	34.3 Å²	34.3	6%	0.061	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.6	166.9	177	0	0	0	0	107.8	L57 T77 F78 N80 H180	L57-V120 HydrophobicContact CD1-CG1 4.47Å; T77-V120 VanDerWaalsContact CA-O 3.27Å; T77-V120 WeakPolarHBondContact CA-O 3.4Å; F78-V120 HydrophobicContact CD1-CB 4.37Å; F78-V120 HydrophobicContact CE1-CB 3.76Å; F78-V120 HydrophobicContact CE1-CG1 3.71Å; F78-V120 HydrophobicContact CE2-CB 4.1Å; F78-V120 HydrophobicContact CE2-CG2 4.44Å; F78-V120 HydrophobicContact CZ-CB 3.58Å; F78-V120 HydrophobicContact CZ-CG1 3.66Å; F78-V120 HydrophobicContact CZ-CG2 4.22Å; F78-V120 PolarHBondContact N-O 2.83Å; F78-V120 PolarHBondContact O-N 3.24Å; N80-V120 HydrophobicContact CB-CG2 3.96Å; V120-H180 HydrophobicContact CG1-CB 4.45Å
121	T	98.4	Very high	94.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	106.8	177.9	-62.2	0	0	0	0	109.4	V75 Y76 T77 F123 E145 H180 G181	V75-T121 HydrophobicContact CG1-CG2 3.56Å; Y76-T121 CarbonylContact O-C 3.48Å; Y76-T121 WeakPolarHBondContact O-CA 3.34Å; T77-T121 WeakPolarHBondContact OG1-CG2 3.29Å; T77-T121 PolarHBondContact OG1-OG1 2.93Å; T121-F123 HydrophobicContact CG2-CD1 4.21Å; T121-F123 HydrophobicContact CG2-CE1 4.27Å; T121-E145 HydrophobicContact CG2-CG 4.09Å; T121-H180 CarbonylContact O-C 3.59Å; T121-H180 WeakPolarHBondContact O-CA 3.5Å; T121-H180 WeakPolarHBondContact O-CB 3.49Å; T121-G181 PolarHBondContact N-O 2.75Å; T121-G181 PolarHBondContact O-N 3.18Å
122	C	98.2	Very high	94.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128.5	169.6	-58.4	0	0	0	0	109.4	Y72 V75 Y76	Y72-C122 HydrophobicContact CE2-CB 4.19Å; V75-C122 VanDerWaalsContact CA-O 3.32Å; V75-C122 WeakPolarHBondContact CA-O 3.43Å; V75-C122 WeakPolarHBondContact CG1-O 3.33Å; Y76-C122 PolarHBondContact N-O 3.09Å; Y76-C122 PolarHBondContact O-N 3.27Å
123	F	98.3	Very high	94.8	Very high	2 Å²	2	28 Å²	28	1%	0.009	16%	0.162	C	C	.	.			trans	-83.3	-30.1	-175.5	-57.7	-32.2	0	0	0	113.3	T121 L131 M134 V142 W146 E166 P179 H180	T121-F123 HydrophobicContact CG2-CD1 4.21Å; T121-F123 HydrophobicContact CG2-CE1 4.27Å; F123-L131 HydrophobicContact CD2-CD1 4.11Å; F123-L131 HydrophobicContact CD2-CD2 4.13Å; F123-L131 HydrophobicContact CD2-CG 3.93Å; F123-L131 HydrophobicContact CE2-CD1 3.87Å; F123-L131 HydrophobicContact CE2-CG 4.21Å; F123-L131 HydrophobicContact CG-CD2 4.41Å; F123-M134 HydrophobicContact CB-CE 4.43Å; F123-M134 HydrophobicContact CB-SD 4.3Å; F123-M134 WeakPolarHBondContact O-CE 3.34Å; F123-V142 HydrophobicContact CB-CG2 3.81Å; F123-V142 HydrophobicContact CD1-CB 4.4Å; F123-V142 HydrophobicContact CD1-CG1 3.49Å; F123-V142 VanDerWaalsContact CD1-CG1 3.49Å; F123-V142 HydrophobicContact CD1-CG2 3.99Å; F123-V142 HydrophobicContact CE1-CG1 3.68Å; F123-V142 HydrophobicContact CG-CG1 4.23Å; F123-V142 HydrophobicContact CG-CG2 4.12Å; F123-W146 HydrophobicContact CE1-CZ2 4.13Å; F123-W146 HydrophobicContact CZ-CZ2 4.2Å; F123-E166 HydrophobicContact CE2-CG 4.25Å; F123-E166 HydrophobicContact CZ-CB 4.37Å; F123-P179 HydrophobicContact CB-CB 4.24Å; F123-P179 HydrophobicContact CD2-CB 4.16Å; F123-P179 PolarHBondContact N-O 2.89Å; F123-H180 VanDerWaalsContact CE2-C 3.43Å; F123-H180 VanDerWaalsContact CZ-C 3.42Å
124	H	97.6	Very high	95.2	Very high	21 Å²	21	25 Å²	25	10%	0.097	14%	0.142	C	C	.	.			trans	-155	149.2	-174.6	-170.2	-87.4	0	0	0	110.7	Y72 D126 K129 M134 E138 H178 P179	Y72-H124 PolarHBondContact OH-O 3.01Å; H124-D126 VanDerWaalsContact CE1-CB 3.41Å; H124-D126 WeakPolarHBondContact CE1-CB 3.25Å; H124-D126 VanDerWaalsContact ND1-CB 3.25Å; H124-D126 WeakPolarHBondContact ND1-CB 3.34Å; H124-D126 PolarHBondContact ND1-N 3.48Å; H124-D126 PolarHBondContact O-N 3.39Å; H124-K129 PolarHBondContact NE2-NZ 3.07Å; H124-M134 HydrophobicContact CB-CE 3.9Å; H124-M134 HydrophobicContact CB-SD 4.05Å; H124-E138 IonicContact CD2-OE1 3.71Å; H124-E138 IonicContact NE2-OE1 3.55Å; H124-E138 PolarHBondContact NE2-OE1 2.91Å; H124-H178 PolarHBondContact O-CE1 2.83Å; H124-H178 PolarHBondContact O-NE2 3.41Å; H124-P179 HydrophobicContact CB-CG 4.14Å
125	P	96.5	Very high	95.4	Very high	29 Å²	29	26.8 Å²	26.8	19%	0.188	14%	0.143	C	C	.	.	S	Bend	trans	-67	-31.1	178.3	23.7	-35.2	0	0	0	114.6	P59 Y72	P59-P125 WeakPolarHBondContact CD-O 3.39Å; P59-P125 HydrophobicContact CG-CB 3.53Å; Y72-P125 HydrophobicContact CD2-CB 4.4Å; Y72-P125 HydrophobicContact CE2-CB 4Å
126	D	94.5	Very high	95.6	Very high	64 Å²	64	29.6 Å²	29.6	34%	0.342	16%	0.156	S	C	.	.			trans	-79.2	118.7	175.7	-173.6	-5	0	0	0	111.6	H124 N128 K129	H124-D126 VanDerWaalsContact CE1-CB 3.41Å; H124-D126 WeakPolarHBondContact CE1-CB 3.25Å; H124-D126 VanDerWaalsContact ND1-CB 3.25Å; H124-D126 WeakPolarHBondContact ND1-CB 3.34Å; H124-D126 PolarHBondContact ND1-N 3.48Å; H124-D126 PolarHBondContact O-N 3.39Å; D126-N128 PolarHBondContact O-N 2.93Å; D126-N128 WeakPolarHBondContact OD1-CB 3.47Å; D126-N128 PolarHBondContact OD1-N 2.98Å; D126-N128 PolarHBondContact OD1-ND2 3.21Å; D126-K129 HydrophobicContact CB-CB 4.45Å; D126-K129 HydrophobicContact CB-CG 4.18Å; D126-K129 PolarHBondContact O-N 2.97Å
127	S	93.3	Very high	95.8	Very high	26 Å²	26	38.1 Å²	38.1	18%	0.182	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.2	177.2	-66.6	0	0	0	0	114.2	S58 H178	S58-S127 PolarHBondContact OG-OG 3.43Å; S127-H178 PolarHBondContact OG-ND1 2.81Å
128	N	89.9	Confident	96	Very high	132 Å²	132	39 Å²	39	71%	0.706	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-6.5	-179	-59.6	-48.4	0	0	0	113.4	D126	D126-N128 PolarHBondContact O-N 2.93Å; D126-N128 WeakPolarHBondContact OD1-CB 3.47Å; D126-N128 PolarHBondContact OD1-N 2.98Å; D126-N128 PolarHBondContact OD1-ND2 3.21Å
129	K	91.4	Very high	96.1	Very high	55 Å²	55	39 Å²	39	24%	0.239	19%	0.19	C	C	.	.			trans	-95.3	98.4	179.9	-75.8	-159	-168.7	172.3	0	112.1	H124 D126 M134 E138 P179	H124-K129 PolarHBondContact NE2-NZ 3.07Å; D126-K129 HydrophobicContact CB-CB 4.45Å; D126-K129 HydrophobicContact CB-CG 4.18Å; D126-K129 PolarHBondContact O-N 2.97Å; K129-M134 HydrophobicContact CB-CG 4.06Å; K129-M134 HydrophobicContact CD-CG 4.39Å; K129-E138 VanDerWaalsContact NZ-CD 3.34Å; K129-E138 IonicContact NZ-OE1 3.56Å; K129-E138 PolarHBondContact NZ-OE1 3.01Å; K129-E138 IonicContact NZ-OE2 2.76Å; K129-E138 PolarHBondContact NZ-OE2 3.04Å; K129-P179 WeakPolarHBondContact O-CB 3.47Å; K129-P179 VanDerWaalsContact O-CG 3.22Å; K129-P179 WeakPolarHBondContact O-CG 3.43Å
130	T	94.1	Very high	96.1	Very high	35 Å²	35	39.3 Å²	39.3	22%	0.215	19%	0.192	C	C	.	.			trans	-71.7	161.7	166.2	67.3	0	0	0	0	110.8	A132 L133 M134 R168	T130-A132 PolarHBondContact O-N 2.91Å; T130-A132 VanDerWaalsContact O-N 3.1Å; T130-L133 WeakPolarHBondContact O-CA 3.28Å; T130-L133 PolarHBondContact O-N 2.95Å; T130-M134 WeakPolarHBondContact O-CG 3.44Å; T130-M134 PolarHBondContact O-N 2.87Å; T130-R168 PolarHBondContact OG1-NH2 3.16Å
131	L	96.5	Very high	96.1	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-30.5	174.7	-74	171	0	0	0	112.9	F123 L133 M134 I139 V142 E166 M281 L285	F123-L131 HydrophobicContact CD2-CD1 4.11Å; F123-L131 HydrophobicContact CD2-CD2 4.13Å; F123-L131 HydrophobicContact CD2-CG 3.93Å; F123-L131 HydrophobicContact CE2-CD1 3.87Å; F123-L131 HydrophobicContact CE2-CG 4.21Å; F123-L131 HydrophobicContact CG-CD2 4.41Å; L131-L133 VanDerWaalsContact C-N 3.31Å; L131-L133 PolarHBondContact O-N 2.9Å; L131-M134 HydrophobicContact CD2-SD 3.88Å; L131-I139 HydrophobicContact CD2-CG1 4.3Å; L131-I139 HydrophobicContact CD2-CG2 4.5Å; L131-I139 WeakPolarHBondContact O-CD1 3.06Å; L131-V142 HydrophobicContact CD2-CG2 4.33Å; L131-E166 WeakPolarHBondContact CD1-OE2 3.5Å; L131-M281 HydrophobicContact CD1-CE 4.31Å; L131-L285 HydrophobicContact CB-CD1 3.35Å; L131-L285 HydrophobicContact CD1-CD1 4.07Å; L131-L285 HydrophobicContact CG-CD1 4.37Å
132	A	96.2	Very high	96.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.008	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-29.5	174.8	0	0	0	0	0	113.4	T130 L285 V286 D289	T130-A132 PolarHBondContact O-N 2.91Å; T130-A132 VanDerWaalsContact O-N 3.1Å; A132-L285 HydrophobicContact CB-CB 3.84Å; A132-V286 HydrophobicContact CB-CG2 4.31Å; A132-V286 WeakPolarHBondContact O-CG2 3.23Å; A132-D289 WeakPolarHBondContact CB-OD2 3.41Å
133	L	96.2	Very high	96.2	Very high	43 Å²	43	40.5 Å²	40.5	23%	0.225	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-24.5	-176.7	-66.1	178.4	0	0	0	113.3	T130 L131 H374 K377	T130-L133 WeakPolarHBondContact O-CA 3.28Å; T130-L133 PolarHBondContact O-N 2.95Å; L131-L133 VanDerWaalsContact C-N 3.31Å; L131-L133 PolarHBondContact O-N 2.9Å; L133-H374 HydrophobicContact CD2-CB 4.39Å; L133-K377 PolarHBondContact O-NZ 2.83Å
134	M	96.5	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-58.6	146.2	172.6	-73.1	172.7	75.6	0	0	111.2	F123 H124 K129 T130 L131 E138 I139 V142 Q282	F123-M134 HydrophobicContact CB-CE 4.43Å; F123-M134 HydrophobicContact CB-SD 4.3Å; F123-M134 WeakPolarHBondContact O-CE 3.34Å; H124-M134 HydrophobicContact CB-CE 3.9Å; H124-M134 HydrophobicContact CB-SD 4.05Å; K129-M134 HydrophobicContact CB-CG 4.06Å; K129-M134 HydrophobicContact CD-CG 4.39Å; T130-M134 WeakPolarHBondContact O-CG 3.44Å; T130-M134 PolarHBondContact O-N 2.87Å; L131-M134 HydrophobicContact CD2-SD 3.88Å; M134-E138 WeakPolarHBondContact CA-OE2 3.46Å; M134-E138 HydrophobicContact CB-CB 4.11Å; M134-E138 HydrophobicContact CE-CB 3.66Å; M134-E138 WeakPolarHBondContact CE-O 3.44Å; M134-E138 HydrophobicContact CG-CB 4.44Å; M134-I139 HydrophobicContact CB-CD1 4.36Å; M134-I139 HydrophobicContact CB-CG1 3.82Å; M134-V142 HydrophobicContact CE-CG2 4.26Å; M134-Q282 PolarHBondContact O-NE2 3.22Å
135	E	95.5	Very high	96.3	Very high	83 Å²	83	43.3 Å²	43.3	39%	0.388	21%	0.214	S	C	.	.			trans	-77.1	159.6	171.1	-63.7	177.8	175.1	0	0	111	R137 E138 I139	E135-R137 HydrophobicContact CB-CG 4.15Å; E135-R137 PolarHBondContact O-N 2.93Å; E135-R137 IonicContact OE1-NH2 3.54Å; E135-R137 IonicContact OE2-CZ 2.62Å; E135-R137 IonicContact OE2-NE 3.51Å; E135-R137 PolarHBondContact OE2-NE 3.24Å; E135-R137 IonicContact OE2-NH2 3.41Å; E135-R137 PolarHBondContact OE2-NH2 2.75Å; E135-E138 HydrophobicContact CB-CG 4.2Å; E135-E138 PolarHBondContact N-OE2 2.98Å; E135-E138 WeakPolarHBondContact O-CA 3.15Å; E135-E138 WeakPolarHBondContact O-CB 3.1Å; E135-E138 PolarHBondContact O-N 3.39Å; E135-I139 PolarHBondContact O-N 2.8Å
136	Q	95.3	Very high	96.4	Very high	92 Å²	92	42.1 Å²	42.1	43%	0.43	21%	0.206	S	C	.	.	H	α-helix	trans	-56.3	-38.3	-179.6	-65.9	-178	2.6	0	0	112.7	E138 I139 L140 S279	Q136-E138 PolarHBondContact O-N 2.96Å; Q136-I139 PolarHBondContact O-N 2.93Å; Q136-L140 PolarHBondContact O-N 2.64Å; Q136-S279 PolarHBondContact NE2-OG 2.95Å
137	R	97	Very high	96.6	Very high	184 Å²	184	39.4 Å²	39.4	69%	0.694	19%	0.192	S	C	*	.	H	α-helix	trans	-64.5	-19.5	175.1	67	175.3	172.2	177.3	-5.5	114	E135 P141	E135-R137 HydrophobicContact CB-CG 4.15Å; E135-R137 PolarHBondContact O-N 2.93Å; E135-R137 IonicContact OE1-NH2 3.54Å; E135-R137 IonicContact OE2-CZ 2.62Å; E135-R137 IonicContact OE2-NE 3.51Å; E135-R137 PolarHBondContact OE2-NE 3.24Å; E135-R137 IonicContact OE2-NH2 3.41Å; E135-R137 PolarHBondContact OE2-NH2 2.75Å; R137-P141 WeakPolarHBondContact O-CD 3.45Å; R137-P141 WeakPolarHBondContact O-CG 3.33Å
138	E	97.9	Very high	96.8	Very high	32 Å²	32	44 Å²	44	15%	0.15	21%	0.205	C	C	.	.	H	α-helix	trans	-92.2	-31	177.4	-56.7	178	137.3	0	0	111	H124 K129 M134 E135 Q136 P141	H124-E138 IonicContact CD2-OE1 3.71Å; H124-E138 IonicContact NE2-OE1 3.55Å; H124-E138 PolarHBondContact NE2-OE1 2.91Å; K129-E138 VanDerWaalsContact NZ-CD 3.34Å; K129-E138 IonicContact NZ-OE1 3.56Å; K129-E138 PolarHBondContact NZ-OE1 3.01Å; K129-E138 IonicContact NZ-OE2 2.76Å; K129-E138 PolarHBondContact NZ-OE2 3.04Å; M134-E138 WeakPolarHBondContact CA-OE2 3.46Å; M134-E138 HydrophobicContact CB-CB 4.11Å; M134-E138 HydrophobicContact CE-CB 3.66Å; M134-E138 WeakPolarHBondContact CE-O 3.44Å; M134-E138 HydrophobicContact CG-CB 4.44Å; E135-E138 HydrophobicContact CB-CG 4.2Å; E135-E138 PolarHBondContact N-OE2 2.98Å; E135-E138 WeakPolarHBondContact O-CA 3.15Å; E135-E138 WeakPolarHBondContact O-CB 3.1Å; E135-E138 PolarHBondContact O-N 3.39Å; Q136-E138 PolarHBondContact O-N 2.96Å; E138-P141 WeakPolarHBondContact O-CD 3.45Å
139	I	98.5	Very high	97.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-75.2	-37.6	176.3	-61.6	168.5	0	0	0	111.4	L131 M134 E135 Q136 V142 I143 A278 Q282	L131-I139 HydrophobicContact CD2-CG1 4.3Å; L131-I139 HydrophobicContact CD2-CG2 4.5Å; L131-I139 WeakPolarHBondContact O-CD1 3.06Å; M134-I139 HydrophobicContact CB-CD1 4.36Å; M134-I139 HydrophobicContact CB-CG1 3.82Å; E135-I139 PolarHBondContact O-N 2.8Å; Q136-I139 PolarHBondContact O-N 2.93Å; I139-V142 WeakPolarHBondContact O-CA 3.49Å; I139-V142 VanDerWaalsContact O-CB 3.25Å; I139-V142 WeakPolarHBondContact O-CB 3.47Å; I139-V142 PolarHBondContact O-N 2.94Å; I139-I143 HydrophobicContact CG2-CD1 4.14Å; I139-I143 PolarHBondContact O-N 2.88Å; I139-A278 HydrophobicContact CB-CB 4.13Å; I139-A278 HydrophobicContact CG2-CB 3.85Å; I139-Q282 HydrophobicContact CD1-CB 3.6Å; I139-Q282 HydrophobicContact CD1-CG 3.83Å
140	L	98.6	Very high	97.6	Very high	14 Å²	14	35.1 Å²	35.1	7%	0.073	16%	0.16	C	C	.	.	H	α-helix	trans	-55	-44.9	-179.4	177.6	72.8	0	0	0	113.4	Q136 V142 I143 N144 K274 Y275	Q136-L140 PolarHBondContact O-N 2.64Å; L140-V142 PolarHBondContact O-N 3.24Å; L140-I143 PolarHBondContact O-N 3.41Å; L140-I143 VanDerWaalsContact O-N 3.16Å; L140-N144 PolarHBondContact O-N 2.85Å; L140-K274 HydrophobicContact CD1-CB 3.71Å; L140-Y275 HydrophobicContact CD1-CD1 4.42Å; L140-Y275 HydrophobicContact CD1-CG 4.39Å; L140-Y275 HydrophobicContact CD2-CD1 3.87Å; L140-Y275 HydrophobicContact CD2-CE1 3.3Å; L140-Y275 HydrophobicContact CD2-CE2 3.97Å; L140-Y275 HydrophobicContact CD2-CG 4.44Å; L140-Y275 WeakPolarHBondContact CD2-OH 3.28Å; L140-Y275 HydrophobicContact CG-CE1 4.47Å
141	P	98.7	Very high	97.7	Very high	35 Å²	35	37.3 Å²	37.3	23%	0.227	17%	0.168	C	C	.	.	H	α-helix	trans	-52.4	-34.8	170.4	-31.6	36.2	0	0	0	115	S74 V75 R137 E138 N144 E145	S74-P141 WeakPolarHBondContact OG-CB 3.43Å; V75-P141 HydrophobicContact CG2-CB 3.75Å; R137-P141 WeakPolarHBondContact O-CD 3.45Å; R137-P141 WeakPolarHBondContact O-CG 3.33Å; E138-P141 WeakPolarHBondContact O-CD 3.45Å; P141-N144 PolarHBondContact O-N 3.42Å; P141-E145 WeakPolarHBondContact O-CB 3.45Å; P141-E145 PolarHBondContact O-N 3.33Å
142	V	98.8	Very high	97.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-46.5	177.6	-178.7	0	0	0	0	110.2	V75 F123 L131 M134 I139 L140 N144 E145 W146	V75-V142 HydrophobicContact CG2-CB 4.36Å; V75-V142 HydrophobicContact CG2-CG2 3.7Å; F123-V142 HydrophobicContact CB-CG2 3.81Å; F123-V142 HydrophobicContact CD1-CB 4.4Å; F123-V142 HydrophobicContact CD1-CG1 3.49Å; F123-V142 VanDerWaalsContact CD1-CG1 3.49Å; F123-V142 HydrophobicContact CD1-CG2 3.99Å; F123-V142 HydrophobicContact CE1-CG1 3.68Å; F123-V142 HydrophobicContact CG-CG1 4.23Å; F123-V142 HydrophobicContact CG-CG2 4.12Å; L131-V142 HydrophobicContact CD2-CG2 4.33Å; M134-V142 HydrophobicContact CE-CG2 4.26Å; I139-V142 WeakPolarHBondContact O-CA 3.49Å; I139-V142 VanDerWaalsContact O-CB 3.25Å; I139-V142 WeakPolarHBondContact O-CB 3.47Å; I139-V142 PolarHBondContact O-N 2.94Å; L140-V142 PolarHBondContact O-N 3.24Å; V142-N144 VanDerWaalsContact C-N 3.34Å; V142-N144 PolarHBondContact O-N 2.93Å; V142-E145 PolarHBondContact O-N 3.22Å; V142-W146 HydrophobicContact CG1-CD2 4.19Å; V142-W146 HydrophobicContact CG1-CH2 4.03Å; V142-W146 HydrophobicContact CG1-CZ2 3.58Å; V142-W146 HydrophobicContact CG1-CZ3 4.49Å; V142-W146 PolarHBondContact O-N 3.43Å
143	I	98.8	Very high	97.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-42.3	176.9	-64.3	162.8	0	0	0	110.6	I139 L140 E145 W146 C147 K274 L277 A278 M281	I139-I143 HydrophobicContact CG2-CD1 4.14Å; I139-I143 PolarHBondContact O-N 2.88Å; L140-I143 PolarHBondContact O-N 3.41Å; L140-I143 VanDerWaalsContact O-N 3.16Å; I143-E145 VanDerWaalsContact C-N 3.29Å; I143-E145 PolarHBondContact O-N 2.84Å; I143-W146 HydrophobicContact CG1-CE3 4.2Å; I143-W146 HydrophobicContact CG1-CZ3 4.21Å; I143-W146 PolarHBondContact O-N 3.15Å; I143-C147 PolarHBondContact O-N 3.12Å; I143-C147 PolarHBondContact O-SG 3.29Å; I143-K274 HydrophobicContact CG2-CB 3.99Å; I143-K274 HydrophobicContact CG2-CD 4.46Å; I143-K274 HydrophobicContact CG2-CG 3.88Å; I143-L277 HydrophobicContact CD1-CB 3.97Å; I143-L277 HydrophobicContact CD1-CD2 3.95Å; I143-L277 HydrophobicContact CD1-CG 3.77Å; I143-L277 HydrophobicContact CG1-CD2 4.13Å; I143-L277 HydrophobicContact CG1-CG 4.42Å; I143-L277 HydrophobicContact CG2-CD2 3.99Å; I143-A278 HydrophobicContact CD1-CB 3.77Å; I143-M281 HydrophobicContact CD1-SD 4.14Å; I143-M281 HydrophobicContact CG1-SD 4.24Å
144	N	98.8	Very high	97.3	Very high	54 Å²	54	40.1 Å²	40.1	29%	0.289	18%	0.178	S	C	.	.	H	α-helix	trans	-60.1	-40.1	175.4	-78.1	-26	0	0	0	111.9	L140 P141 V142 C147 R148 K274	L140-N144 PolarHBondContact O-N 2.85Å; P141-N144 PolarHBondContact O-N 3.42Å; V142-N144 VanDerWaalsContact C-N 3.34Å; V142-N144 PolarHBondContact O-N 2.93Å; N144-C147 PolarHBondContact O-N 3.45Å; N144-R148 WeakPolarHBondContact O-CB 3.46Å; N144-R148 PolarHBondContact O-N 2.94Å; N144-K274 VanDerWaalsContact OD1-CD 3.3Å; N144-K274 WeakPolarHBondContact OD1-CD 3.41Å
145	E	98.8	Very high	97.1	Very high	28 Å²	28	46.5 Å²	46.5	13%	0.131	21%	0.206	C	C	.	.	H	α-helix	trans	-66.6	-42	176.4	-177.2	66.1	175.3	0	0	111.8	V75 T77 T121 P141 V142 I143 C147 R148 I149	V75-E145 HydrophobicContact CG1-CB 3.71Å; V75-E145 HydrophobicContact CG1-CG 3.66Å; T77-E145 WeakPolarHBondContact CB-OE1 3.19Å; T77-E145 WeakPolarHBondContact OG1-CG 3.33Å; T77-E145 PolarHBondContact OG1-OE1 3.08Å; T121-E145 HydrophobicContact CG2-CG 4.09Å; P141-E145 WeakPolarHBondContact O-CB 3.45Å; P141-E145 PolarHBondContact O-N 3.33Å; V142-E145 PolarHBondContact O-N 3.22Å; I143-E145 VanDerWaalsContact C-N 3.29Å; I143-E145 PolarHBondContact O-N 2.84Å; E145-C147 VanDerWaalsContact C-N 3.32Å; E145-C147 PolarHBondContact O-N 2.82Å; E145-R148 VanDerWaalsContact CD-NH2 3.34Å; E145-R148 PolarHBondContact O-N 2.73Å; E145-R148 IonicContact OE1-CZ 3.47Å; E145-R148 IonicContact OE1-NE 3.48Å; E145-R148 IonicContact OE1-NH2 3.33Å; E145-R148 PolarHBondContact OE1-NH2 2.85Å; E145-R148 IonicContact OE2-CZ 3.87Å; E145-R148 IonicContact OE2-NE 3.44Å; E145-R148 PolarHBondContact OE2-NE 3.03Å; E145-R148 IonicContact OE2-NH2 2.84Å; E145-R148 PolarHBondContact OE2-NH2 3.02Å; E145-I149 HydrophobicContact CG-CD1 3.8Å; E145-I149 HydrophobicContact CG-CG1 4.4Å; E145-I149 WeakPolarHBondContact O-CB 3.34Å; E145-I149 VanDerWaalsContact O-CG1 3.26Å; E145-I149 WeakPolarHBondContact O-CG1 3.07Å; E145-I149 PolarHBondContact O-N 3.45Å
146	W	98.9	Very high	96.8	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.011	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-41.9	172.6	-65.8	-21.6	0	0	0	112.5	F123 V142 I143 T150 I164 L266 M281 M300 W302	F123-W146 HydrophobicContact CE1-CZ2 4.13Å; F123-W146 HydrophobicContact CZ-CZ2 4.2Å; V142-W146 HydrophobicContact CG1-CD2 4.19Å; V142-W146 HydrophobicContact CG1-CH2 4.03Å; V142-W146 HydrophobicContact CG1-CZ2 3.58Å; V142-W146 HydrophobicContact CG1-CZ3 4.49Å; V142-W146 PolarHBondContact O-N 3.43Å; I143-W146 HydrophobicContact CG1-CE3 4.2Å; I143-W146 HydrophobicContact CG1-CZ3 4.21Å; I143-W146 PolarHBondContact O-N 3.15Å; W146-T150 WeakPolarHBondContact O-CB 3.43Å; W146-T150 PolarHBondContact O-N 3.35Å; W146-T150 PolarHBondContact O-OG1 3.31Å; W146-I164 HydrophobicContact CB-CD1 3.73Å; W146-I164 HydrophobicContact CD2-CG2 4.09Å; W146-I164 HydrophobicContact CG-CD1 3.96Å; W146-I164 HydrophobicContact CG-CG2 3.97Å; W146-I164 HydrophobicContact CZ2-CG2 4.44Å; W146-L266 HydrophobicContact CB-CD1 4.33Å; W146-M281 HydrophobicContact CH2-CE 3.54Å; W146-M281 HydrophobicContact CH2-SD 4.45Å; W146-M281 HydrophobicContact CZ3-CE 3.66Å; W146-M281 HydrophobicContact CZ3-SD 3.96Å; W146-M300 HydrophobicContact CH2-CE 4.38Å; W146-W302 AromaticContact CE3-NE1 3.39Å; W146-W302 AromaticContact CH2-NE1 3.83Å; W146-W302 HydrophobicContact CZ3-CZ2 4.3Å; W146-W302 AromaticContact CZ3-NE1 3.22Å
147	C	98.8	Very high	96.1	Very high	7 Å²	7	44.4 Å²	44.4	5%	0.047	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-48.9	175.1	-64.1	0	0	0	0	111.2	I143 N144 E145 I149 T150 E151 L266 H267	I143-C147 PolarHBondContact O-N 3.12Å; I143-C147 PolarHBondContact O-SG 3.29Å; N144-C147 PolarHBondContact O-N 3.45Å; E145-C147 VanDerWaalsContact C-N 3.32Å; E145-C147 PolarHBondContact O-N 2.82Å; C147-I149 VanDerWaalsContact C-N 3.33Å; C147-I149 PolarHBondContact O-N 2.88Å; C147-T150 PolarHBondContact O-N 3.48Å; C147-E151 PolarHBondContact O-N 3.37Å; C147-L266 PolarHBondContact SG-O 3.34Å; C147-H267 WeakPolarHBondContact O-CB 3.22Å
148	R	98.6	Very high	95.5	Very high	122 Å²	122	38.9 Å²	38.9	46%	0.46	18%	0.181	S	C	.	.	H	α-helix	trans	-59.9	-42.9	179.9	-170.8	-166.3	68.3	75.5	-0.6	111.8	N144 E145 E151 K152	N144-R148 WeakPolarHBondContact O-CB 3.46Å; N144-R148 PolarHBondContact O-N 2.94Å; E145-R148 VanDerWaalsContact CD-NH2 3.34Å; E145-R148 PolarHBondContact O-N 2.73Å; E145-R148 IonicContact OE1-CZ 3.47Å; E145-R148 IonicContact OE1-NE 3.48Å; E145-R148 IonicContact OE1-NH2 3.33Å; E145-R148 PolarHBondContact OE1-NH2 2.85Å; E145-R148 IonicContact OE2-CZ 3.87Å; E145-R148 IonicContact OE2-NE 3.44Å; E145-R148 PolarHBondContact OE2-NE 3.03Å; E145-R148 IonicContact OE2-NH2 2.84Å; E145-R148 PolarHBondContact OE2-NH2 3.02Å; R148-E151 PolarHBondContact O-N 2.88Å; R148-K152 WeakPolarHBondContact O-CB 3.37Å; R148-K152 PolarHBondContact O-N 2.69Å
149	I	98.2	Very high	95.2	Very high	1 Å²	1	38 Å²	38	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-67.8	-44.8	177.9	-69.6	173.3	0	0	0	110.2	T77 L119 E145 C147 E151 K152 Y153 L162 I183	T77-I149 HydrophobicContact CG2-CD1 3.73Å; L119-I149 HydrophobicContact CD1-CD1 4.35Å; L119-I149 HydrophobicContact CD1-CG2 4.25Å; E145-I149 HydrophobicContact CG-CD1 3.8Å; E145-I149 HydrophobicContact CG-CG1 4.4Å; E145-I149 WeakPolarHBondContact O-CB 3.34Å; E145-I149 VanDerWaalsContact O-CG1 3.26Å; E145-I149 WeakPolarHBondContact O-CG1 3.07Å; E145-I149 PolarHBondContact O-N 3.45Å; C147-I149 VanDerWaalsContact C-N 3.33Å; C147-I149 PolarHBondContact O-N 2.88Å; I149-E151 VanDerWaalsContact C-N 3.31Å; I149-E151 PolarHBondContact O-N 2.83Å; I149-K152 WeakPolarHBondContact O-CB 3.44Å; I149-K152 PolarHBondContact O-N 2.77Å; I149-Y153 HydrophobicContact CG2-CD2 3.58Å; I149-Y153 HydrophobicContact CG2-CE2 3.66Å; I149-Y153 VanDerWaalsContact O-CD2 3.31Å; I149-Y153 WeakPolarHBondContact O-CD2 3.15Å; I149-Y153 PolarHBondContact O-N 3.41Å; I149-L162 HydrophobicContact CG2-CD2 4.2Å; I149-I183 HydrophobicContact CB-CD1 4.25Å; I149-I183 HydrophobicContact CD1-CD1 3.33Å; I149-I183 HydrophobicContact CG1-CD1 4.38Å; I149-I183 HydrophobicContact CG2-CD1 3.9Å; I149-I183 HydrophobicContact CG2-CG2 4.02Å
150	T	98	Very high	94.8	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-56	-47.5	174.9	-59	0	0	0	0	111.1	W146 C147 K152 Y153 F154 L162 W265 L266 H267 M307	W146-T150 WeakPolarHBondContact O-CB 3.43Å; W146-T150 PolarHBondContact O-N 3.35Å; W146-T150 PolarHBondContact O-OG1 3.31Å; C147-T150 PolarHBondContact O-N 3.48Å; T150-K152 PolarHBondContact O-N 2.76Å; T150-Y153 PolarHBondContact O-N 2.95Å; T150-F154 WeakPolarHBondContact O-CB 3.43Å; T150-F154 PolarHBondContact O-N 2.91Å; T150-L162 HydrophobicContact CG2-CD2 4.5Å; T150-W265 HydrophobicContact CG2-CB 4.26Å; T150-L266 HydrophobicContact CG2-CB 4.35Å; T150-H267 HydrophobicContact CG2-CB 4.35Å; T150-H267 WeakPolarHBondContact CG2-ND1 3.27Å; T150-M307 HydrophobicContact CG2-CE 4.34Å
151	E	96.8	Very high	94.7	Very high	82 Å²	82	38.4 Å²	38.4	38%	0.383	18%	0.178	S	C	.	.	H	α-helix	trans	-62.2	-43	177.7	-167	-173.3	-177	0	0	112.2	C147 R148 I149 F154 K155 H267	C147-E151 PolarHBondContact O-N 3.37Å; R148-E151 PolarHBondContact O-N 2.88Å; I149-E151 VanDerWaalsContact C-N 3.31Å; I149-E151 PolarHBondContact O-N 2.83Å; E151-F154 PolarHBondContact O-N 3.25Å; E151-K155 HydrophobicContact CG-CD 4.44Å; E151-K155 WeakPolarHBondContact O-CG 3.27Å; E151-K155 PolarHBondContact O-N 3.4Å; E151-K155 VanDerWaalsContact O-N 3.17Å; E151-K155 WeakPolarHBondContact OE1-CE 3.28Å; E151-K155 IonicContact OE1-NZ 3.31Å; E151-K155 PolarHBondContact OE1-NZ 2.96Å; E151-H267 HydrophobicContact CB-CB 3.81Å
152	K	95.6	Very high	94.6	Very high	87 Å²	87	36.8 Å²	36.8	38%	0.378	17%	0.168	S	C	.	.	H	α-helix	trans	-56.3	-55.6	176.6	178.5	-169.8	171.8	-167.9	0	110.7	R148 I149 T150 K155 M156	R148-K152 WeakPolarHBondContact O-CB 3.37Å; R148-K152 PolarHBondContact O-N 2.69Å; I149-K152 WeakPolarHBondContact O-CB 3.44Å; I149-K152 PolarHBondContact O-N 2.77Å; T150-K152 PolarHBondContact O-N 2.76Å; K152-K155 PolarHBondContact O-N 3.29Å; K152-M156 HydrophobicContact CG-SD 4.39Å; K152-M156 WeakPolarHBondContact O-CG 3.17Å; K152-M156 PolarHBondContact O-N 3.28Å
153	Y	93.4	Very high	94.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.7	-33.3	-176.2	-80.1	-81.8	0	0	0	112.6	D117 L119 I149 T150 K155 M156 F159 L162 A185	D117-Y153 HydrophobicContact CB-CE1 4.11Å; D117-Y153 WeakPolarHBondContact CB-OH 3.26Å; D117-Y153 VanDerWaalsContact CG-OH 3.25Å; D117-Y153 PolarHBondContact OD2-OH 2.94Å; L119-Y153 HydrophobicContact CD1-CE2 3.76Å; L119-Y153 WeakPolarHBondContact CD1-OH 3.39Å; I149-Y153 HydrophobicContact CG2-CD2 3.58Å; I149-Y153 HydrophobicContact CG2-CE2 3.66Å; I149-Y153 VanDerWaalsContact O-CD2 3.31Å; I149-Y153 WeakPolarHBondContact O-CD2 3.15Å; I149-Y153 PolarHBondContact O-N 3.41Å; T150-Y153 PolarHBondContact O-N 2.95Å; Y153-K155 PolarHBondContact O-N 2.77Å; Y153-M156 HydrophobicContact CD1-SD 4.14Å; Y153-M156 HydrophobicContact CE1-SD 4.3Å; Y153-M156 PolarHBondContact O-N 3.43Å; Y153-M156 VanDerWaalsContact O-N 3.14Å; Y153-F159 AromaticContact CD1-CD2 3.43Å; Y153-F159 HydrophobicContact CD1-CD2 3.43Å; Y153-F159 VanDerWaalsContact CD1-CD2 3.43Å; Y153-F159 AromaticContact CD1-CE2 3.4Å; Y153-F159 HydrophobicContact CD1-CE2 3.4Å; Y153-F159 VanDerWaalsContact CD1-CE2 3.4Å; Y153-F159 HydrophobicContact CD1-CG 4.03Å; Y153-F159 HydrophobicContact CD1-CZ 4.01Å; Y153-F159 AromaticContact CE1-CD2 3.98Å; Y153-F159 HydrophobicContact CE1-CD2 3.98Å; Y153-F159 HydrophobicContact CE1-CE1 4.26Å; Y153-F159 AromaticContact CE1-CE2 3.49Å; Y153-F159 HydrophobicContact CE1-CE2 3.49Å; Y153-F159 VanDerWaalsContact CE1-CE2 3.49Å; Y153-F159 AromaticContact CE1-CZ 3.66Å; Y153-F159 HydrophobicContact CE1-CZ 3.66Å; Y153-L162 HydrophobicContact CD1-CD1 4.44Å; Y153-L162 HydrophobicContact CD2-CD1 3.75Å; Y153-L162 HydrophobicContact CE2-CD1 4.2Å; Y153-L162 HydrophobicContact CG-CD1 3.88Å; Y153-A185 HydrophobicContact CD1-CB 3.49Å; Y153-A185 VanDerWaalsContact CD1-CB 3.49Å; Y153-A185 HydrophobicContact CE1-CB 3.31Å; Y153-A185 HydrophobicContact CG-CB 4.2Å
154	F	92.7	Very high	94.6	Very high	17 Å²	17	38.4 Å²	38.4	8%	0.075	18%	0.175	C	C	.	.	H	α-helix	trans	-59.2	-33.5	173	-172.7	-90.5	0	0	0	112.4	T150 E151 W265 H267 L315 L318	T150-F154 WeakPolarHBondContact O-CB 3.43Å; T150-F154 PolarHBondContact O-N 2.91Å; E151-F154 PolarHBondContact O-N 3.25Å; F154-W265 HydrophobicContact CD2-CD2 4.37Å; F154-W265 AromaticContact CE2-CD2 3.9Å; F154-W265 HydrophobicContact CE2-CD2 3.9Å; F154-W265 AromaticContact CE2-CE2 3.56Å; F154-W265 HydrophobicContact CE2-CE3 4.25Å; F154-W265 HydrophobicContact CE2-CH2 4.08Å; F154-W265 AromaticContact CE2-CZ2 3.68Å; F154-W265 HydrophobicContact CE2-CZ2 3.68Å; F154-W265 HydrophobicContact CE2-CZ3 4.33Å; F154-W265 AromaticContact CE2-NE1 3.94Å; F154-W265 HydrophobicContact CZ-CH2 4.32Å; F154-W265 HydrophobicContact CZ-CZ2 4.36Å; F154-W265 HydrophobicContact CZ-CZ3 4.43Å; F154-H267 AromaticContact CD2-CE1 3.94Å; F154-H267 AromaticContact CG-CE1 3.85Å; F154-L315 HydrophobicContact CE1-CD1 4.07Å; F154-L315 HydrophobicContact CZ-CD1 3.85Å; F154-L318 HydrophobicContact CE1-CD1 4.42Å; F154-L318 HydrophobicContact CE2-CD1 4.32Å; F154-L318 HydrophobicContact CZ-CD1 3.68Å
155	K	91.3	Very high	94.6	Very high	134 Å²	134	37.3 Å²	37.3	58%	0.583	17%	0.168	S	C	*	.	H	α-helix	trans	-81.6	-19.6	177	-70.4	174.2	-175	170.2	0	114.3	E151 K152 Y153 K157	E151-K155 HydrophobicContact CG-CD 4.44Å; E151-K155 WeakPolarHBondContact O-CG 3.27Å; E151-K155 PolarHBondContact O-N 3.4Å; E151-K155 VanDerWaalsContact O-N 3.17Å; E151-K155 WeakPolarHBondContact OE1-CE 3.28Å; E151-K155 IonicContact OE1-NZ 3.31Å; E151-K155 PolarHBondContact OE1-NZ 2.96Å; K152-K155 PolarHBondContact O-N 3.29Å; Y153-K155 PolarHBondContact O-N 2.77Å; K155-K157 VanDerWaalsContact C-N 3.34Å
156	M	88.6	Confident	94.6	Very high	86 Å²	86	36.3 Å²	36.3	42%	0.424	16%	0.163	S	C	.	.	H	α-helix	trans	-77.5	-19.3	-178.2	-68.5	178.4	67.2	0	0	113.4	K152 Y153 N158 F159	K152-M156 HydrophobicContact CG-SD 4.39Å; K152-M156 WeakPolarHBondContact O-CG 3.17Å; K152-M156 PolarHBondContact O-N 3.28Å; Y153-M156 HydrophobicContact CD1-SD 4.14Å; Y153-M156 HydrophobicContact CE1-SD 4.3Å; Y153-M156 PolarHBondContact O-N 3.43Å; Y153-M156 VanDerWaalsContact O-N 3.14Å; M156-N158 WeakPolarHBondContact CB-OD1 3.2Å; M156-N158 PolarHBondContact O-N 3.4Å; M156-N158 PolarHBondContact O-OD1 3.25Å; M156-F159 HydrophobicContact CB-CD2 4.37Å; M156-F159 HydrophobicContact CB-CE2 4.37Å; M156-F159 HydrophobicContact CE-CE2 3.82Å; M156-F159 HydrophobicContact SD-CE2 4.11Å
157	K	81.5	Confident	94.5	Very high	46 Å²	46	38.5 Å²	38.5	20%	0.2	18%	0.175	C	C	.	.			trans	60.2	-0.2	171.8	-56.2	-63.1	-170.1	171.3	0	117.2	K155 C308 S309	K155-K157 VanDerWaalsContact C-N 3.34Å; K157-C308 CarbonylContact C-O 3.47Å; K157-C308 WeakPolarHBondContact CA-O 3.44Å; K157-C308 HydrophobicContact CD-CB 3.61Å; K157-C308 VanDerWaalsContact NZ-CB 3.29Å; K157-C308 PolarHBondContact NZ-SG 3.48Å; K157-S309 CarbonylContact O-C 3.55Å; K157-S309 WeakPolarHBondContact O-CA 3.27Å
158	N	84.8	Confident	94.3	Very high	67 Å²	67	39.2 Å²	39.2	36%	0.358	18%	0.177	S	C	.	.	S	Bend	trans	-99.3	0.5	178.1	63.9	-34.4	0	0	0	113.8	M156	M156-N158 WeakPolarHBondContact CB-OD1 3.2Å; M156-N158 PolarHBondContact O-N 3.4Å; M156-N158 PolarHBondContact O-OD1 3.25Å
159	F	89.9	Confident	94	Very high	13 Å²	13	34.7 Å²	34.7	6%	0.057	17%	0.169	C	C	.	.			trans	-116.5	141.4	177.8	-58.1	-85	0	0	0	110.4	D117 Y153 M156 A185 M307	D117-F159 HydrophobicContact CB-CE1 4.23Å; D117-F159 HydrophobicContact CB-CZ 4.15Å; Y153-F159 AromaticContact CD1-CD2 3.43Å; Y153-F159 HydrophobicContact CD1-CD2 3.43Å; Y153-F159 VanDerWaalsContact CD1-CD2 3.43Å; Y153-F159 AromaticContact CD1-CE2 3.4Å; Y153-F159 HydrophobicContact CD1-CE2 3.4Å; Y153-F159 VanDerWaalsContact CD1-CE2 3.4Å; Y153-F159 HydrophobicContact CD1-CG 4.03Å; Y153-F159 HydrophobicContact CD1-CZ 4.01Å; Y153-F159 AromaticContact CE1-CD2 3.98Å; Y153-F159 HydrophobicContact CE1-CD2 3.98Å; Y153-F159 HydrophobicContact CE1-CE1 4.26Å; Y153-F159 AromaticContact CE1-CE2 3.49Å; Y153-F159 HydrophobicContact CE1-CE2 3.49Å; Y153-F159 VanDerWaalsContact CE1-CE2 3.49Å; Y153-F159 AromaticContact CE1-CZ 3.66Å; Y153-F159 HydrophobicContact CE1-CZ 3.66Å; M156-F159 HydrophobicContact CB-CD2 4.37Å; M156-F159 HydrophobicContact CB-CE2 4.37Å; M156-F159 HydrophobicContact CE-CE2 3.82Å; M156-F159 HydrophobicContact SD-CE2 4.11Å; F159-A185 HydrophobicContact CB-CB 4.48Å; F159-A185 HydrophobicContact CD1-CB 3.48Å; F159-A185 VanDerWaalsContact CD1-CB 3.48Å; F159-A185 HydrophobicContact CD2-CB 4.44Å; F159-A185 HydrophobicContact CE1-CB 3.67Å; F159-A185 HydrophobicContact CG-CB 3.89Å; F159-A185 HydrophobicContact CZ-CB 4.24Å; F159-M307 HydrophobicContact CB-SD 4.34Å; F159-M307 WeakPolarHBondContact O-CB 3.36Å
160	Q	92	Very high	93.5	Very high	24 Å²	24	38.6 Å²	38.6	11%	0.112	20%	0.201	C	C	.	.	S	Bend	trans	-98.3	-26.6	177.1	-67.1	-179.2	45.1	0	0	111.9	S96 C186 G187 M189 M307	S96-Q160 VanDerWaalsContact OG-CD 3.3Å; S96-Q160 PolarHBondContact OG-NE2 3.02Å; S96-Q160 PolarHBondContact OG-OE1 3.47Å; Q160-C186 PolarHBondContact N-O 2.86Å; Q160-G187 PolarHBondContact NE2-O 2.82Å; Q160-M189 HydrophobicContact CB-CG 4.12Å; Q160-M189 HydrophobicContact CB-SD 4.21Å; Q160-M307 PolarHBondContact O-N 2.9Å
161	W	95.6	Very high	93.1	Very high	1 Å²	1	40 Å²	40	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	144.6	-178.1	-171.8	-108.2	0	0	0	112	A185 C186 M189 P190 V193 Y303 Q304 W325	W161-A185 CarbonylContact O-C 3.57Å; W161-A185 WeakPolarHBondContact O-CA 3.3Å; W161-C186 HydrophobicContact CB-CB 4.29Å; W161-C186 PolarHBondContact N-O 2.79Å; W161-C186 PolarHBondContact O-N 3.14Å; W161-M189 HydrophobicContact CB-SD 4.23Å; W161-M189 HydrophobicContact CE3-CE 4.35Å; W161-M189 HydrophobicContact CE3-SD 4.15Å; W161-P190 HydrophobicContact CB-CG 4.41Å; W161-P190 HydrophobicContact CG-CG 4.09Å; W161-V193 HydrophobicContact CD2-CB 4.36Å; W161-V193 HydrophobicContact CD2-CG1 3.74Å; W161-V193 HydrophobicContact CD2-CG2 3.88Å; W161-V193 VanDerWaalsContact CE2-CG2 3.42Å; W161-V193 HydrophobicContact CE3-CB 4.46Å; W161-V193 HydrophobicContact CE3-CG1 3.4Å; W161-V193 HydrophobicContact CE3-CG2 4.4Å; W161-V193 HydrophobicContact CG-CG2 4.38Å; W161-V193 HydrophobicContact CH2-CB 4.45Å; W161-V193 HydrophobicContact CH2-CG1 3.48Å; W161-V193 VanDerWaalsContact CH2-CG1 3.48Å; W161-V193 HydrophobicContact CH2-CG2 4.09Å; W161-V193 HydrophobicContact CZ2-CB 4.38Å; W161-V193 HydrophobicContact CZ2-CG1 3.84Å; W161-V193 HydrophobicContact CZ2-CG2 3.55Å; W161-V193 HydrophobicContact CZ3-CB 4.49Å; W161-V193 HydrophobicContact CZ3-CG1 3.24Å; W161-V193 HydrophobicContact CZ3-CG2 4.47Å; W161-Y303 HydrophobicContact CH2-CD1 4.18Å; W161-Y303 AromaticContact CZ2-CD1 3.83Å; W161-Y303 HydrophobicContact CZ2-CD1 3.83Å; W161-Y303 HydrophobicContact CZ2-CE1 4.48Å; W161-Q304 WeakPolarHBondContact CH2-O 3.24Å; W161-Q304 WeakPolarHBondContact CZ3-O 3.49Å; W161-W325 AromaticContact CH2-CH2 3.72Å; W161-W325 HydrophobicContact CH2-CH2 3.72Å; W161-W325 AromaticContact CH2-CZ3 3.98Å; W161-W325 HydrophobicContact CH2-CZ3 3.98Å; W161-W325 AromaticContact CZ3-CH2 3.87Å; W161-W325 HydrophobicContact CZ3-CH2 3.87Å; W161-W325 HydrophobicContact CZ3-CZ2 4.31Å; W161-W325 HydrophobicContact CZ3-CZ3 4.35Å
162	L	97.2	Very high	92.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	106.3	171.1	-175.1	78.3	0	0	0	109.4	I149 T150 Y153 I164 I183 A185 M307	I149-L162 HydrophobicContact CG2-CD2 4.2Å; T150-L162 HydrophobicContact CG2-CD2 4.5Å; Y153-L162 HydrophobicContact CD1-CD1 4.44Å; Y153-L162 HydrophobicContact CD2-CD1 3.75Å; Y153-L162 HydrophobicContact CE2-CD1 4.2Å; Y153-L162 HydrophobicContact CG-CD1 3.88Å; L162-I164 HydrophobicContact CD2-CD1 4.43Å; L162-I164 HydrophobicContact CD2-CG1 4.38Å; L162-I164 HydrophobicContact CG-CG1 4.49Å; L162-I183 HydrophobicContact CD1-CG2 3.41Å; L162-I183 VanDerWaalsContact CD1-CG2 3.41Å; L162-I183 HydrophobicContact CD2-CG2 4.29Å; L162-I183 HydrophobicContact CG-CG2 3.83Å; L162-A185 HydrophobicContact CD1-CB 3.63Å; L162-M307 HydrophobicContact CB-CE 3.26Å; L162-M307 HydrophobicContact CB-SD 3.9Å; L162-M307 HydrophobicContact CD2-CE 3.64Å; L162-M307 HydrophobicContact CG-CE 3.97Å
163	Q	98.7	Very high	92	Very high	33 Å²	33	36.6 Å²	36.6	15%	0.154	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	108.9	177.5	-170	58.6	61.9	0	0	110.3	F165 I183 W184 W302	Q163-F165 HydrophobicContact CG-CD1 3.99Å; Q163-I183 CarbonylContact O-C 3.41Å; Q163-I183 VanDerWaalsContact O-CA 3.28Å; Q163-I183 WeakPolarHBondContact O-CA 3.3Å; Q163-W184 PolarHBondContact N-O 2.87Å; Q163-W184 PolarHBondContact O-N 3.03Å; Q163-W302 PolarHBondContact NE2-O 2.78Å
164	I	98.8	Very high	91.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.2	167.7	-54.8	-175.5	0	0	0	107.7	W146 L162 I183 L266 G301 W302	W146-I164 HydrophobicContact CB-CD1 3.73Å; W146-I164 HydrophobicContact CD2-CG2 4.09Å; W146-I164 HydrophobicContact CG-CD1 3.96Å; W146-I164 HydrophobicContact CG-CG2 3.97Å; W146-I164 HydrophobicContact CZ2-CG2 4.44Å; L162-I164 HydrophobicContact CD2-CD1 4.43Å; L162-I164 HydrophobicContact CD2-CG1 4.38Å; L162-I164 HydrophobicContact CG-CG1 4.49Å; I164-I183 HydrophobicContact CB-CG1 4.34Å; I164-I183 HydrophobicContact CD1-CD1 4.43Å; I164-I183 HydrophobicContact CG1-CD1 4.27Å; I164-I183 HydrophobicContact CG1-CG1 4.01Å; I164-I183 HydrophobicContact CG1-CG2 4.03Å; I164-I183 HydrophobicContact CG2-CG1 4.13Å; I164-L266 HydrophobicContact CD1-CD1 3.6Å; I164-G301 CarbonylContact O-C 3.51Å; I164-G301 WeakPolarHBondContact O-CA 3.35Å; I164-W302 HydrophobicContact CB-CB 4.37Å; I164-W302 PolarHBondContact O-N 3.44Å
165	F	98.7	Very high	90.9	Very high	30 Å²	30	42.9 Å²	42.9	13%	0.132	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	159.5	-178.8	68.9	-82.7	0	0	0	113.3	Q163 G181 Q182 W184 M300	Q163-F165 HydrophobicContact CG-CD1 3.99Å; F165-G181 CarbonylContact O-C 3.52Å; F165-G181 WeakPolarHBondContact O-CA 2.99Å; F165-Q182 HydrophobicContact CD1-CB 4.14Å; F165-Q182 HydrophobicContact CD2-CB 4.33Å; F165-Q182 HydrophobicContact CE1-CB 3.58Å; F165-Q182 HydrophobicContact CE2-CB 3.79Å; F165-Q182 HydrophobicContact CE2-CG 4.35Å; F165-Q182 HydrophobicContact CG-CB 4.5Å; F165-Q182 HydrophobicContact CZ-CB 3.4Å; F165-Q182 HydrophobicContact CZ-CG 4.18Å; F165-Q182 PolarHBondContact N-O 3.33Å; F165-Q182 PolarHBondContact O-N 3.44Å; F165-Q182 VanDerWaalsContact O-O 3.12Å; F165-W184 HydrophobicContact CE1-CB 4.49Å; F165-W184 AromaticContact CE1-CD1 3.77Å; F165-W184 AromaticContact CE1-CD2 3.9Å; F165-W184 HydrophobicContact CE1-CD2 3.9Å; F165-W184 AromaticContact CE1-CE2 3.91Å; F165-W184 AromaticContact CE1-CG 3.82Å; F165-W184 HydrophobicContact CE1-CG 3.82Å; F165-W184 AromaticContact CE1-NE1 3.79Å; F165-W184 HydrophobicContact CZ-CD2 4.09Å; F165-W184 AromaticContact CZ-CE2 3.66Å; F165-W184 HydrophobicContact CZ-CG 4.39Å; F165-W184 AromaticContact CZ-CZ2 3.97Å; F165-W184 HydrophobicContact CZ-CZ2 3.97Å; F165-W184 AromaticContact CZ-NE1 3.69Å; F165-M300 CarbonylContact C-O 3.44Å; F165-M300 WeakPolarHBondContact CA-O 3.43Å; F165-M300 WeakPolarHBondContact CB-O 3.14Å
166	E	98.2	Very high	90.6	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.037	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.6	172.3	166	-171.2	-155.6	0	0	109	F123 L131 R168 Y298 S299 M300	F123-E166 HydrophobicContact CE2-CG 4.25Å; F123-E166 HydrophobicContact CZ-CB 4.37Å; L131-E166 WeakPolarHBondContact CD1-OE2 3.5Å; E166-R168 HydrophobicContact CG-CB 4.34Å; E166-Y298 VanDerWaalsContact CD-OH 3.28Å; E166-Y298 HydrophobicContact CG-CE2 4.16Å; E166-Y298 PolarHBondContact OE1-OH 3.29Å; E166-Y298 WeakPolarHBondContact OE2-CE2 3.24Å; E166-Y298 PolarHBondContact OE2-OH 3.32Å; E166-S299 CarbonylContact O-C 3.56Å; E166-S299 WeakPolarHBondContact O-CA 3.47Å; E166-M300 HydrophobicContact CB-CG 3.83Å; E166-M300 HydrophobicContact CB-SD 4.02Å; E166-M300 PolarHBondContact N-O 3.46Å; E166-M300 PolarHBondContact O-N 2.89Å
167	N	97.1	Very high	90.6	Very high	49 Å²	49	39.7 Å²	39.7	26%	0.262	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	108.3	166.5	-69.1	-32.6	0	0	0	108.1	V172 S174 S299	N167-V172 HydrophobicContact CB-CG2 4.29Å; N167-S174 WeakPolarHBondContact O-CB 3.15Å; N167-S174 PolarHBondContact O-OG 2.72Å; N167-S299 WeakPolarHBondContact OD1-CB 3.37Å; N167-S299 PolarHBondContact OD1-OG 2.81Å
168	R	95.1	Very high	91.1	Very high	21 Å²	21	37.7 Å²	37.7	8%	0.079	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.4	-179.4	-175.2	-172.2	175.6	-156.9	0.3	110.3	T130 E166 V172 D289 F296 P297 Y298	T130-R168 PolarHBondContact OG1-NH2 3.16Å; E166-R168 HydrophobicContact CG-CB 4.34Å; R168-V172 WeakPolarHBondContact O-CG2 3.42Å; R168-D289 IonicContact CZ-OD1 2.78Å; R168-D289 IonicContact CZ-OD2 3.39Å; R168-D289 IonicContact NH1-OD1 2.77Å; R168-D289 PolarHBondContact NH1-OD1 3.06Å; R168-D289 IonicContact NH1-OD2 2.73Å; R168-D289 PolarHBondContact NH1-OD2 3.08Å; R168-D289 IonicContact NH2-OD1 3.52Å; R168-D289 PolarHBondContact NH2-OD1 2.99Å; R168-D289 IonicContact NH2-OD2 3.7Å; R168-D289 PolarHBondContact NH2-OD2 2.74Å; R168-F296 PolarHBondContact NH1-O 2.94Å; R168-P297 WeakPolarHBondContact O-CA 3.3Å; R168-P297 WeakPolarHBondContact O-CB 3.33Å; R168-Y298 HydrophobicContact CB-CD1 4.37Å; R168-Y298 HydrophobicContact CB-CD2 4.32Å; R168-Y298 HydrophobicContact CB-CE1 4.08Å; R168-Y298 HydrophobicContact CB-CE2 3.99Å; R168-Y298 HydrophobicContact CB-CG 4.49Å; R168-Y298 HydrophobicContact CG-CE1 4.34Å; R168-Y298 PolarHBondContact N-O 3.41Å; R168-Y298 PolarHBondContact O-N 3.4Å; R168-Y298 VanDerWaalsContact O-N 3.07Å
169	G	91.3	Very high	91.7	Very high	28 Å²	28	35 Å²	35	29%	0.289	24%	0.236	S	C	.	.	S	Bend	trans	90.5	155	173.8	0	0	0	0	0	114.6	A171 V172 S174	G169-A171 VanDerWaalsContact C-N 3.27Å; G169-A171 PolarHBondContact O-N 2.98Å; G169-V172 WeakPolarHBondContact O-CG2 3.11Å; G169-V172 PolarHBondContact O-N 3.25Å; G169-S174 VanDerWaalsContact O-CB 3.3Å; G169-S174 WeakPolarHBondContact O-CB 3.41Å; G169-S174 PolarHBondContact O-N 3.07Å
170	A	88.1	Confident	92	Very high	82 Å²	82	35.5 Å²	35.5	68%	0.678	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-64.6	-31	-174.2	0	0	0	0	0	113.1	V172 G173	A170-V172 PolarHBondContact O-N 3.32Å; A170-G173 PolarHBondContact O-N 3.31Å
171	A	88.8	Confident	92.3	Very high	31 Å²	31	34.5 Å²	34.5	26%	0.256	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-62.1	-17.5	-179	0	0	0	0	0	114.2	G169 P297 P334	G169-A171 VanDerWaalsContact C-N 3.27Å; G169-A171 PolarHBondContact O-N 2.98Å; A171-P297 HydrophobicContact CB-CB 3.94Å; A171-P297 HydrophobicContact CB-CG 3.94Å; A171-P334 HydrophobicContact CB-CG 4.14Å
172	V	88.7	Confident	92.4	Very high	31 Å²	31	36.2 Å²	36.2	19%	0.188	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-115.4	18.4	176.2	-61.7	0	0	0	0	112.6	N167 R168 G169 A170 Y298 P334	N167-V172 HydrophobicContact CB-CG2 4.29Å; R168-V172 WeakPolarHBondContact O-CG2 3.42Å; G169-V172 WeakPolarHBondContact O-CG2 3.11Å; G169-V172 PolarHBondContact O-N 3.25Å; A170-V172 PolarHBondContact O-N 3.32Å; V172-Y298 WeakPolarHBondContact CG2-O 3.24Å; V172-P334 HydrophobicContact CG1-CG 3.87Å
173	G	82.5	Confident	92.5	Very high	65 Å²	65	36.2 Å²	36.2	67%	0.67	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	14.2	173.5	0	0	0	0	0	115.5	A170 S175	A170-G173 PolarHBondContact O-N 3.31Å; G173-S175 PolarHBondContact O-N 2.88Å
174	S	83.1	Confident	92.4	Very high	21 Å²	21	38.5 Å²	38.5	15%	0.147	25%	0.25	C	S	.	.			trans	-77.5	117.6	171.3	-163	0	0	0	0	110.5	N167 G169 N176	N167-S174 WeakPolarHBondContact O-CB 3.15Å; N167-S174 PolarHBondContact O-OG 2.72Å; G169-S174 VanDerWaalsContact O-CB 3.3Å; G169-S174 WeakPolarHBondContact O-CB 3.41Å; G169-S174 PolarHBondContact O-N 3.07Å; S174-N176 PolarHBondContact OG-O 2.91Å
175	S	78.1	Confident	92.2	Very high	128 Å²	128	38.4 Å²	38.4	90%	0.895	25%	0.25	S	S	*	.			trans	-94.6	-12.1	177.3	63.8	0	0	0	0	113.5	G173	G173-S175 PolarHBondContact O-N 2.88Å
176	N	86	Confident	92	Very high	35 Å²	35	37.3 Å²	37.3	19%	0.187	25%	0.246	C	C	.	.			trans	-115.7	124.7	-177.1	-172.1	-41.5	0	0	0	109.9	N55 L57 S174 H178	N55-N176 PolarHBondContact ND2-OD1 2.75Å; N55-N176 PolarHBondContact OD1-ND2 3.39Å; N55-N176 PolarHBondContact OD1-OD1 3.39Å; L57-N176 WeakPolarHBondContact CD1-ND2 3.42Å; L57-N176 WeakPolarHBondContact CG-ND2 3.46Å; S174-N176 PolarHBondContact OG-O 2.91Å; N176-H178 VanDerWaalsContact C-N 3.34Å; N176-H178 PolarHBondContact O-N 2.95Å; N176-H178 WeakPolarHBondContact OD1-CB 3.34Å; N176-H178 PolarHBondContact OD1-N 2.78Å
177	T	88	Confident	91.6	Very high	118 Å²	118	37.3 Å²	37.3	72%	0.724	25%	0.248	S	C	*	.			trans	-79.8	-10.4	-175.3	54.4	0	0	0	0	114.7	N55	N55-T177 PolarHBondContact ND2-OG1 3Å
178	H	93.6	Very high	91.3	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.019	25%	0.246	C	C	.	.	S	Bend	trans	-66	141.2	178.1	-166.3	75.6	0	0	0	110.3	N55 L57 Y72 H124 S127 N176 H180	N55-H178 PolarHBondContact ND2-N 3.34Å; L57-H178 HydrophobicContact CB-CB 3.92Å; L57-H178 HydrophobicContact CD1-CB 4.19Å; Y72-H178 PolarHBondContact OH-CE1 3.01Å; Y72-H178 PolarHBondContact OH-NE2 2.95Å; H124-H178 PolarHBondContact O-CE1 2.83Å; H124-H178 PolarHBondContact O-NE2 3.41Å; S127-H178 PolarHBondContact OG-ND1 2.81Å; N176-H178 VanDerWaalsContact C-N 3.34Å; N176-H178 PolarHBondContact O-N 2.95Å; N176-H178 WeakPolarHBondContact OD1-CB 3.34Å; N176-H178 PolarHBondContact OD1-N 2.78Å; H178-H180 PolarHBondContact O-N 3.49Å; H178-H180 PolarHBondContact O-ND1 3.39Å
179	P	95.6	Very high	91.2	Very high	10 Å²	10	37.7 Å²	37.7	7%	0.065	25%	0.249	C	C	.	.	S	Bend	trans	-68.7	105.9	178.6	30.8	-38.1	0	0	0	110	F123 H124 K129	F123-P179 HydrophobicContact CB-CB 4.24Å; F123-P179 HydrophobicContact CD2-CB 4.16Å; F123-P179 PolarHBondContact N-O 2.89Å; H124-P179 HydrophobicContact CB-CG 4.14Å; K129-P179 WeakPolarHBondContact O-CB 3.47Å; K129-P179 VanDerWaalsContact O-CG 3.22Å; K129-P179 WeakPolarHBondContact O-CG 3.43Å
180	H	97.1	Very high	91.4	Very high	25 Å²	25	38 Å²	38	12%	0.116	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	155.8	-178	72.1	-70.9	0	0	0	112.2	L57 V120 T121 F123 H178	L57-H180 HydrophobicContact CD1-CB 4.18Å; V120-H180 HydrophobicContact CG1-CB 4.45Å; T121-H180 CarbonylContact O-C 3.59Å; T121-H180 WeakPolarHBondContact O-CA 3.5Å; T121-H180 WeakPolarHBondContact O-CB 3.49Å; F123-H180 VanDerWaalsContact CE2-C 3.43Å; F123-H180 VanDerWaalsContact CZ-C 3.42Å; H178-H180 PolarHBondContact O-N 3.49Å; H178-H180 PolarHBondContact O-ND1 3.39Å
181	G	97.7	Very high	91.7	Very high	3 Å²	3	38.7 Å²	38.7	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	-179.3	168	0	0	0	0	0	111	T121 F165	T121-G181 PolarHBondContact N-O 2.75Å; T121-G181 PolarHBondContact O-N 3.18Å; F165-G181 CarbonylContact O-C 3.52Å; F165-G181 WeakPolarHBondContact O-CA 2.99Å
182	Q	98.2	Very high	92.1	Very high	37 Å²	37	40.2 Å²	40.2	17%	0.173	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	152.9	176.6	-69	-171.7	64	0	0	110.4	N80 L119 F165 W184	N80-Q182 PolarHBondContact ND2-OE1 2.75Å; L119-Q182 WeakPolarHBondContact O-CA 3.34Å; F165-Q182 HydrophobicContact CD1-CB 4.14Å; F165-Q182 HydrophobicContact CD2-CB 4.33Å; F165-Q182 HydrophobicContact CE1-CB 3.58Å; F165-Q182 HydrophobicContact CE2-CB 3.79Å; F165-Q182 HydrophobicContact CE2-CG 4.35Å; F165-Q182 HydrophobicContact CG-CB 4.5Å; F165-Q182 HydrophobicContact CZ-CB 3.4Å; F165-Q182 HydrophobicContact CZ-CG 4.18Å; F165-Q182 PolarHBondContact N-O 3.33Å; F165-Q182 PolarHBondContact O-N 3.44Å; F165-Q182 VanDerWaalsContact O-O 3.12Å; Q182-W184 VanDerWaalsContact OE1-NE1 3.13Å
183	I	98.5	Very high	92.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	115.8	177.8	-55.3	173.6	0	0	0	108.6	L119 I149 L162 Q163 I164	L119-I183 HydrophobicContact CB-CB 4.23Å; L119-I183 PolarHBondContact N-O 3.12Å; L119-I183 PolarHBondContact O-N 3.41Å; I149-I183 HydrophobicContact CB-CD1 4.25Å; I149-I183 HydrophobicContact CD1-CD1 3.33Å; I149-I183 HydrophobicContact CG1-CD1 4.38Å; I149-I183 HydrophobicContact CG2-CD1 3.9Å; I149-I183 HydrophobicContact CG2-CG2 4.02Å; L162-I183 HydrophobicContact CD1-CG2 3.41Å; L162-I183 VanDerWaalsContact CD1-CG2 3.41Å; L162-I183 HydrophobicContact CD2-CG2 4.29Å; L162-I183 HydrophobicContact CG-CG2 3.83Å; Q163-I183 CarbonylContact O-C 3.41Å; Q163-I183 VanDerWaalsContact O-CA 3.28Å; Q163-I183 WeakPolarHBondContact O-CA 3.3Å; I164-I183 HydrophobicContact CB-CG1 4.34Å; I164-I183 HydrophobicContact CD1-CD1 4.43Å; I164-I183 HydrophobicContact CG1-CD1 4.27Å; I164-I183 HydrophobicContact CG1-CG1 4.01Å; I164-I183 HydrophobicContact CG1-CG2 4.03Å; I164-I183 HydrophobicContact CG2-CG1 4.13Å
184	W	97.6	Very high	93.2	Very high	81 Å²	81	39.9 Å²	39.9	31%	0.307	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	116	178.1	-65.4	5.8	0	0	0	109.2	A84 L85 D117 Q163 F165 Q182	A84-W184 HydrophobicContact CB-CH2 3.75Å; A84-W184 HydrophobicContact CB-CZ2 3.95Å; A84-W184 HydrophobicContact CB-CZ3 4.12Å; L85-W184 HydrophobicContact CD1-CB 4.23Å; D117-W184 CarbonylContact O-C 3.54Å; D117-W184 WeakPolarHBondContact O-CA 3.32Å; Q163-W184 PolarHBondContact N-O 2.87Å; Q163-W184 PolarHBondContact O-N 3.03Å; F165-W184 HydrophobicContact CE1-CB 4.49Å; F165-W184 AromaticContact CE1-CD1 3.77Å; F165-W184 AromaticContact CE1-CD2 3.9Å; F165-W184 HydrophobicContact CE1-CD2 3.9Å; F165-W184 AromaticContact CE1-CE2 3.91Å; F165-W184 AromaticContact CE1-CG 3.82Å; F165-W184 HydrophobicContact CE1-CG 3.82Å; F165-W184 AromaticContact CE1-NE1 3.79Å; F165-W184 HydrophobicContact CZ-CD2 4.09Å; F165-W184 AromaticContact CZ-CE2 3.66Å; F165-W184 HydrophobicContact CZ-CG 4.39Å; F165-W184 AromaticContact CZ-CZ2 3.97Å; F165-W184 HydrophobicContact CZ-CZ2 3.97Å; F165-W184 AromaticContact CZ-NE1 3.69Å; Q182-W184 VanDerWaalsContact OE1-NE1 3.13Å
185	A	95.3	Very high	94	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	119.1	173	0	0	0	0	0	108.6	L85 G116 D117 Y153 F159 W161 L162	L85-A185 WeakPolarHBondContact CD1-O 3.41Å; G116-A185 CarbonylContact C-O 3.44Å; G116-A185 WeakPolarHBondContact CA-O 3.48Å; D117-A185 HydrophobicContact CB-CB 4.35Å; D117-A185 PolarHBondContact N-O 2.85Å; D117-A185 PolarHBondContact O-N 3.04Å; Y153-A185 HydrophobicContact CD1-CB 3.49Å; Y153-A185 VanDerWaalsContact CD1-CB 3.49Å; Y153-A185 HydrophobicContact CE1-CB 3.31Å; Y153-A185 HydrophobicContact CG-CB 4.2Å; F159-A185 HydrophobicContact CB-CB 4.48Å; F159-A185 HydrophobicContact CD1-CB 3.48Å; F159-A185 VanDerWaalsContact CD1-CB 3.48Å; F159-A185 HydrophobicContact CD2-CB 4.44Å; F159-A185 HydrophobicContact CE1-CB 3.67Å; F159-A185 HydrophobicContact CG-CB 3.89Å; F159-A185 HydrophobicContact CZ-CB 4.24Å; W161-A185 CarbonylContact O-C 3.57Å; W161-A185 WeakPolarHBondContact O-CA 3.3Å; L162-A185 HydrophobicContact CD1-CB 3.63Å
186	C	93.6	Very high	94.9	Very high	7 Å²	7	38 Å²	38	5%	0.047	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.4	-175.5	-54.9	0	0	0	0	110.7	Q160 W161 F188	Q160-C186 PolarHBondContact N-O 2.86Å; W161-C186 HydrophobicContact CB-CB 4.29Å; W161-C186 PolarHBondContact N-O 2.79Å; W161-C186 PolarHBondContact O-N 3.14Å; C186-F188 HydrophobicContact CB-CD1 4.16Å; C186-F188 HydrophobicContact CB-CD2 4.44Å; C186-F188 HydrophobicContact CB-CE1 4.03Å; C186-F188 HydrophobicContact CB-CE2 4.32Å; C186-F188 HydrophobicContact CB-CG 4.36Å; C186-F188 HydrophobicContact CB-CZ 4.12Å; C186-F188 VanDerWaalsContact CB-O 3.23Å; C186-F188 WeakPolarHBondContact CB-O 3.28Å; C186-F188 PolarHBondContact O-N 2.96Å
187	G	90.2	Very high	95.5	Very high	8 Å²	8	37.8 Å²	37.8	8%	0.082	20%	0.2	C	C	.	.	S	Bend	trans	-70.6	0.1	169.2	0	0	0	0	0	114	Q115 Q160	Q115-G187 PolarHBondContact O-N 2.97Å; Q160-G187 PolarHBondContact NE2-O 2.82Å
188	F	90.8	Very high	96	Very high	50 Å²	50	38.2 Å²	38.2	22%	0.219	19%	0.192	C	C	.	.	S	Bend	trans	-137	162.8	-177.9	58.2	-87.2	0	0	0	110.3	L85 V95 A114 C186 P190	L85-F188 HydrophobicContact CD2-CE1 4.19Å; L85-F188 HydrophobicContact CD2-CZ 4.2Å; V95-F188 HydrophobicContact CB-CB 4.21Å; V95-F188 HydrophobicContact CG1-CB 3.91Å; V95-F188 HydrophobicContact CG1-CD1 4.02Å; V95-F188 HydrophobicContact CG1-CG 4.34Å; A114-F188 HydrophobicContact CB-CE1 4.2Å; C186-F188 HydrophobicContact CB-CD1 4.16Å; C186-F188 HydrophobicContact CB-CD2 4.44Å; C186-F188 HydrophobicContact CB-CE1 4.03Å; C186-F188 HydrophobicContact CB-CE2 4.32Å; C186-F188 HydrophobicContact CB-CG 4.36Å; C186-F188 HydrophobicContact CB-CZ 4.12Å; C186-F188 VanDerWaalsContact CB-O 3.23Å; C186-F188 WeakPolarHBondContact CB-O 3.28Å; C186-F188 PolarHBondContact O-N 2.96Å; F188-P190 HydrophobicContact CE2-CG 4.48Å; F188-P190 WeakPolarHBondContact O-CD 3.3Å
189	M	93	Very high	96.2	Very high	28 Å²	28	38.9 Å²	38.9	14%	0.138	20%	0.196	C	C	.	.			trans	-85.9	118.2	172.2	-72.7	-68.2	-76.3	0	0	110.6	Q160 W161 V193 L194 P306	Q160-M189 HydrophobicContact CB-CG 4.12Å; Q160-M189 HydrophobicContact CB-SD 4.21Å; W161-M189 HydrophobicContact CB-SD 4.23Å; W161-M189 HydrophobicContact CE3-CE 4.35Å; W161-M189 HydrophobicContact CE3-SD 4.15Å; M189-V193 HydrophobicContact CE-CB 4.29Å; M189-V193 HydrophobicContact CE-CG1 3.37Å; M189-V193 HydrophobicContact SD-CG1 4.3Å; M189-L194 HydrophobicContact CB-CD1 4.38Å; M189-L194 HydrophobicContact CB-CD2 3.65Å; M189-L194 HydrophobicContact CB-CG 3.78Å; M189-L194 HydrophobicContact CG-CD2 4.32Å; M189-P306 HydrophobicContact CE-CB 3.97Å; M189-P306 HydrophobicContact CE-CG 3.54Å; M189-P306 HydrophobicContact SD-CB 3.88Å; M189-P306 HydrophobicContact SD-CG 4.15Å
190	P	95.5	Very high	96.4	Very high	33 Å²	33	38.4 Å²	38.4	21%	0.214	19%	0.193	C	C	.	.			trans	-62	150.5	176.8	-21.9	33	0	0	0	112.3	W161 F188 L192 V193 L194	W161-P190 HydrophobicContact CB-CG 4.41Å; W161-P190 HydrophobicContact CG-CG 4.09Å; F188-P190 HydrophobicContact CE2-CG 4.48Å; F188-P190 WeakPolarHBondContact O-CD 3.3Å; P190-L192 VanDerWaalsContact C-N 3.31Å; P190-L192 PolarHBondContact O-N 3.05Å; P190-V193 HydrophobicContact CB-CB 4.44Å; P190-V193 HydrophobicContact CB-CG2 3.97Å; P190-V193 HydrophobicContact CG-CG2 4.02Å; P190-V193 WeakPolarHBondContact O-CA 3.4Å; P190-V193 WeakPolarHBondContact O-CB 3.47Å; P190-V193 PolarHBondContact O-N 3.24Å; P190-L194 PolarHBondContact O-N 2.82Å
191	S	95	Very high	96.5	Very high	98 Å²	98	41.2 Å²	41.2	69%	0.685	21%	0.206	S	C	*	.	H	α-helix	trans	-57.9	-39.2	-174.5	-47	0	0	0	0	113.9	V193 L194 R195	S191-V193 VanDerWaalsContact C-N 3.33Å; S191-L194 PolarHBondContact O-N 3.07Å; S191-R195 PolarHBondContact O-N 3.15Å
192	L	97.1	Very high	96.5	Very high	63 Å²	63	44 Å²	44	33%	0.33	22%	0.22	S	C	.	.	H	α-helix	trans	-61.4	-45.1	175.3	179.1	60.8	0	0	0	111.1	L16 P190 R195 L196 Y303	L16-L192 HydrophobicContact CD1-CD1 4.33Å; L16-L192 HydrophobicContact CD2-CD1 3.45Å; L16-L192 VanDerWaalsContact CD2-CD1 3.45Å; P190-L192 VanDerWaalsContact C-N 3.31Å; P190-L192 PolarHBondContact O-N 3.05Å; L192-R195 PolarHBondContact O-N 3.22Å; L192-L196 HydrophobicContact CG-CD1 4.39Å; L192-L196 WeakPolarHBondContact O-CG 3.21Å; L192-L196 PolarHBondContact O-N 2.91Å; L192-L196 VanDerWaalsContact O-N 3.09Å; L192-Y303 HydrophobicContact CD2-CE1 4.4Å; L192-Y303 VanDerWaalsContact CD2-OH 3.29Å; L192-Y303 WeakPolarHBondContact CD2-OH 3.17Å
193	V	97.7	Very high	96.5	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-66.7	-39.2	-178	-176.8	0	0	0	0	111.1	W161 M189 P190 S191 R195 L196 D197 W325	W161-V193 HydrophobicContact CD2-CB 4.36Å; W161-V193 HydrophobicContact CD2-CG1 3.74Å; W161-V193 HydrophobicContact CD2-CG2 3.88Å; W161-V193 VanDerWaalsContact CE2-CG2 3.42Å; W161-V193 HydrophobicContact CE3-CB 4.46Å; W161-V193 HydrophobicContact CE3-CG1 3.4Å; W161-V193 HydrophobicContact CE3-CG2 4.4Å; W161-V193 HydrophobicContact CG-CG2 4.38Å; W161-V193 HydrophobicContact CH2-CB 4.45Å; W161-V193 HydrophobicContact CH2-CG1 3.48Å; W161-V193 VanDerWaalsContact CH2-CG1 3.48Å; W161-V193 HydrophobicContact CH2-CG2 4.09Å; W161-V193 HydrophobicContact CZ2-CB 4.38Å; W161-V193 HydrophobicContact CZ2-CG1 3.84Å; W161-V193 HydrophobicContact CZ2-CG2 3.55Å; W161-V193 HydrophobicContact CZ3-CB 4.49Å; W161-V193 HydrophobicContact CZ3-CG1 3.24Å; W161-V193 HydrophobicContact CZ3-CG2 4.47Å; M189-V193 HydrophobicContact CE-CB 4.29Å; M189-V193 HydrophobicContact CE-CG1 3.37Å; M189-V193 HydrophobicContact SD-CG1 4.3Å; P190-V193 HydrophobicContact CB-CB 4.44Å; P190-V193 HydrophobicContact CB-CG2 3.97Å; P190-V193 HydrophobicContact CG-CG2 4.02Å; P190-V193 WeakPolarHBondContact O-CA 3.4Å; P190-V193 WeakPolarHBondContact O-CB 3.47Å; P190-V193 PolarHBondContact O-N 3.24Å; S191-V193 VanDerWaalsContact C-N 3.33Å; V193-R195 PolarHBondContact O-N 2.91Å; V193-L196 WeakPolarHBondContact O-CB 3.3Å; V193-L196 PolarHBondContact O-N 3.25Å; V193-D197 WeakPolarHBondContact O-CB 3.38Å; V193-D197 PolarHBondContact O-N 3Å; V193-W325 HydrophobicContact CG1-CH2 3.99Å; V193-W325 HydrophobicContact CG1-CZ2 4.2Å
194	L	96.6	Very high	96.5	Very high	87 Å²	87	44.5 Å²	44.5	46%	0.455	22%	0.222	S	C	.	.	H	α-helix	trans	-57.3	-38.4	173.7	-76	170.5	0	0	0	112.3	M189 P190 S191 K198	M189-L194 HydrophobicContact CB-CD1 4.38Å; M189-L194 HydrophobicContact CB-CD2 3.65Å; M189-L194 HydrophobicContact CB-CG 3.78Å; M189-L194 HydrophobicContact CG-CD2 4.32Å; P190-L194 PolarHBondContact O-N 2.82Å; S191-L194 PolarHBondContact O-N 3.07Å; L194-K198 VanDerWaalsContact O-CB 3.32Å; L194-K198 WeakPolarHBondContact O-CB 3.36Å; L194-K198 PolarHBondContact O-N 3.41Å; L194-K198 VanDerWaalsContact O-N 3.08Å
195	R	98	Very high	96.5	Very high	101 Å²	101	47 Å²	47	38%	0.381	24%	0.241	S	C	.	.	H	α-helix	trans	-69.6	-44	175.9	-63.8	-173.1	-62.3	165.2	5.8	111.7	L16 E18 S191 L192 V193 D197 K198 N199	L16-R195 HydrophobicContact CD2-CB 4.49Å; E18-R195 IonicContact OE1-CZ 3.26Å; E18-R195 IonicContact OE1-NH1 2.66Å; E18-R195 PolarHBondContact OE1-NH1 2.96Å; E18-R195 IonicContact OE1-NH2 2.63Å; S191-R195 PolarHBondContact O-N 3.15Å; L192-R195 PolarHBondContact O-N 3.22Å; V193-R195 PolarHBondContact O-N 2.91Å; R195-D197 VanDerWaalsContact C-N 3.34Å; R195-D197 PolarHBondContact O-N 3.5Å; R195-K198 PolarHBondContact O-N 2.89Å; R195-N199 WeakPolarHBondContact O-CB 3.34Å; R195-N199 VanDerWaalsContact O-CG 3.32Å; R195-N199 PolarHBondContact O-N 3.44Å; R195-N199 PolarHBondContact O-ND2 3.48Å
196	L	98.4	Very high	96.7	Very high	7 Å²	7	54 Å²	54	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-58.9	-45.1	175.4	-65.4	174.4	0	0	0	111.8	L15 L16 L192 V193 Q200 Y303 W325	L15-L196 HydrophobicContact CB-CD2 3.7Å; L15-L196 HydrophobicContact CD1-CD2 4.37Å; L15-L196 HydrophobicContact CD2-CD2 4.24Å; L15-L196 HydrophobicContact CG-CD2 4.35Å; L16-L196 HydrophobicContact CD2-CD2 3.62Å; L16-L196 HydrophobicContact CD2-CG 4.14Å; L16-L196 HydrophobicContact CG-CD2 4.41Å; L192-L196 HydrophobicContact CG-CD1 4.39Å; L192-L196 WeakPolarHBondContact O-CG 3.21Å; L192-L196 PolarHBondContact O-N 2.91Å; L192-L196 VanDerWaalsContact O-N 3.09Å; V193-L196 WeakPolarHBondContact O-CB 3.3Å; V193-L196 PolarHBondContact O-N 3.25Å; L196-Q200 WeakPolarHBondContact O-CB 3.32Å; L196-Q200 VanDerWaalsContact O-CG 3.25Å; L196-Q200 WeakPolarHBondContact O-CG 3.07Å; L196-Q200 PolarHBondContact O-N 2.72Å; L196-Q200 PolarHBondContact O-NE2 2.87Å; L196-Y303 HydrophobicContact CD1-CD1 3.41Å; L196-Y303 VanDerWaalsContact CD1-CD1 3.41Å; L196-Y303 HydrophobicContact CD1-CE1 3.42Å; L196-Y303 VanDerWaalsContact CD1-CE1 3.42Å; L196-Y303 HydrophobicContact CD1-CG 4.14Å; L196-W325 HydrophobicContact CB-CH2 4.05Å
197	D	98.3	Very high	96.9	Very high	32 Å²	32	57.2 Å²	57.2	17%	0.171	29%	0.287	C	S	.	.	H	α-helix	trans	-59.5	-55.8	177.7	-177.2	61.8	0	0	0	110.7	V193 R195 N199 Q200 Q201 H324 W325	V193-D197 WeakPolarHBondContact O-CB 3.38Å; V193-D197 PolarHBondContact O-N 3Å; R195-D197 VanDerWaalsContact C-N 3.34Å; R195-D197 PolarHBondContact O-N 3.5Å; D197-N199 VanDerWaalsContact C-N 3.34Å; D197-N199 PolarHBondContact O-N 3.12Å; D197-Q200 PolarHBondContact O-N 2.98Å; D197-Q201 WeakPolarHBondContact O-CB 3.36Å; D197-Q201 PolarHBondContact O-N 3.15Å; D197-H324 IonicContact OD1-CD2 2.75Å; D197-H324 IonicContact OD1-CE1 3.63Å; D197-H324 IonicContact OD1-NE2 3.49Å; D197-H324 PolarHBondContact OD1-NE2 3.16Å; D197-W325 HydrophobicContact CB-CZ2 3.78Å; D197-W325 PolarHBondContact OD1-NE1 3.28Å
198	K	98.4	Very high	97.2	Very high	126 Å²	126	64.6 Å²	64.6	55%	0.548	33%	0.325	S	S	.	.	H	α-helix	trans	-55.9	-47.2	-179	179.7	-177.2	176.3	-172.7	0	112	L194 R195 Q201 N202	L194-K198 VanDerWaalsContact O-CB 3.32Å; L194-K198 WeakPolarHBondContact O-CB 3.36Å; L194-K198 PolarHBondContact O-N 3.41Å; L194-K198 VanDerWaalsContact O-N 3.08Å; R195-K198 PolarHBondContact O-N 2.89Å; K198-Q201 PolarHBondContact O-N 3.23Å; K198-N202 WeakPolarHBondContact O-CB 3.18Å; K198-N202 PolarHBondContact O-N 3.12Å; K198-N202 PolarHBondContact O-ND2 2.93Å
199	N	98.7	Very high	97.4	Very high	19 Å²	19	63.6 Å²	63.6	10%	0.102	33%	0.329	C	S	.	.	H	α-helix	trans	-74.2	-37.2	-174.4	-70.1	-25.4	0	0	0	112.7	P14 L15 L16 D17 R195 D197 Q201 N202 Y203	P14-N199 WeakPolarHBondContact O-CB 3.27Å; L15-N199 WeakPolarHBondContact O-CB 3.44Å; L15-N199 PolarHBondContact O-ND2 3.42Å; L16-N199 WeakPolarHBondContact CA-ND2 3.18Å; L16-N199 PolarHBondContact O-ND2 3.3Å; D17-N199 PolarHBondContact N-ND2 3.16Å; R195-N199 WeakPolarHBondContact O-CB 3.34Å; R195-N199 VanDerWaalsContact O-CG 3.32Å; R195-N199 PolarHBondContact O-N 3.44Å; R195-N199 PolarHBondContact O-ND2 3.48Å; D197-N199 VanDerWaalsContact C-N 3.34Å; D197-N199 PolarHBondContact O-N 3.12Å; N199-Q201 VanDerWaalsContact C-N 3.35Å; N199-N202 PolarHBondContact O-N 3.48Å; N199-Y203 PolarHBondContact O-N 2.89Å
200	Q	98.7	Very high	97.7	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-63.9	-41.7	171.4	-73.5	176.4	102.6	0	0	111.4	L15 L196 D197 Y203 A204 L212	L15-Q200 HydrophobicContact CD2-CG 3.76Å; L196-Q200 WeakPolarHBondContact O-CB 3.32Å; L196-Q200 VanDerWaalsContact O-CG 3.25Å; L196-Q200 WeakPolarHBondContact O-CG 3.07Å; L196-Q200 PolarHBondContact O-N 2.72Å; L196-Q200 PolarHBondContact O-NE2 2.87Å; D197-Q200 PolarHBondContact O-N 2.98Å; Q200-Y203 PolarHBondContact O-N 2.75Å; Q200-A204 WeakPolarHBondContact O-CB 3.44Å; Q200-A204 PolarHBondContact O-N 2.87Å; Q200-L212 HydrophobicContact CG-CB 4.39Å
201	Q	98.5	Very high	97.8	Very high	83 Å²	83	65 Å²	65	39%	0.388	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-47.2	175.5	-171.2	-179.4	45.9	0	0	111.4	D197 K198 N199 Y203 A204 L205 H324	D197-Q201 WeakPolarHBondContact O-CB 3.36Å; D197-Q201 PolarHBondContact O-N 3.15Å; K198-Q201 PolarHBondContact O-N 3.23Å; N199-Q201 VanDerWaalsContact C-N 3.35Å; Q201-Y203 VanDerWaalsContact C-N 3.35Å; Q201-Y203 PolarHBondContact O-N 3.38Å; Q201-A204 PolarHBondContact O-N 2.79Å; Q201-L205 HydrophobicContact CG-CD1 4.24Å; Q201-L205 WeakPolarHBondContact O-CG 3.12Å; Q201-L205 PolarHBondContact O-N 2.71Å; Q201-H324 PolarHBondContact N-CD2 2.96Å
202	N	98.5	Very high	98	Very high	61 Å²	61	60.5 Å²	60.5	33%	0.326	30%	0.303	S	S	.	.	H	α-helix	trans	-58.8	-44.8	177.9	-74.2	-20.8	0	0	0	112	K198 N199 L205 Q206	K198-N202 WeakPolarHBondContact O-CB 3.18Å; K198-N202 PolarHBondContact O-N 3.12Å; K198-N202 PolarHBondContact O-ND2 2.93Å; N199-N202 PolarHBondContact O-N 3.48Å; N202-L205 PolarHBondContact O-N 3.3Å; N202-Q206 VanDerWaalsContact O-CG 3.32Å; N202-Q206 WeakPolarHBondContact O-CG 3.35Å; N202-Q206 PolarHBondContact O-N 2.8Å; N202-Q206 VanDerWaalsContact O-N 3.12Å
203	Y	98.7	Very high	98.1	Very high	43 Å²	43	57.5 Å²	57.5	17%	0.169	29%	0.287	C	S	.	.	H	α-helix	trans	-59.9	-51	175	-174	-83.8	0	0	0	111.1	N199 Q200 Q201 L205 Q206 H207 L212 D215	N199-Y203 PolarHBondContact O-N 2.89Å; Q200-Y203 PolarHBondContact O-N 2.75Å; Q201-Y203 VanDerWaalsContact C-N 3.35Å; Q201-Y203 PolarHBondContact O-N 3.38Å; Y203-L205 VanDerWaalsContact C-N 3.27Å; Y203-L205 PolarHBondContact O-N 3.27Å; Y203-Q206 PolarHBondContact O-N 2.57Å; Y203-H207 HydrophobicContact CD1-CB 4.1Å; Y203-H207 AromaticContact CD1-CD2 3.86Å; Y203-H207 AromaticContact CD2-CD2 3.68Å; Y203-H207 AromaticContact CD2-NE2 3.91Å; Y203-H207 HydrophobicContact CE1-CB 3.78Å; Y203-H207 AromaticContact CE1-CD2 3.74Å; Y203-H207 AromaticContact CE1-CG 3.67Å; Y203-H207 AromaticContact CE2-CD2 3.56Å; Y203-H207 AromaticContact CE2-NE2 3.52Å; Y203-H207 AromaticContact CG-CD2 3.84Å; Y203-H207 AromaticContact CZ-CD2 3.58Å; Y203-H207 AromaticContact CZ-CE1 3.98Å; Y203-H207 AromaticContact CZ-CG 3.7Å; Y203-H207 AromaticContact CZ-ND1 3.94Å; Y203-H207 AromaticContact CZ-NE2 3.8Å; Y203-H207 WeakPolarHBondContact O-CB 3.26Å; Y203-H207 PolarHBondContact O-CD2 2.72Å; Y203-H207 VanDerWaalsContact O-CD2 3.25Å; Y203-H207 PolarHBondContact O-N 3.48Å; Y203-L212 VanDerWaalsContact CD1-CA 3.43Å; Y203-L212 HydrophobicContact CD1-CB 3.66Å; Y203-L212 HydrophobicContact CD1-CG 4.1Å; Y203-L212 HydrophobicContact CD2-CB 4.36Å; Y203-L212 HydrophobicContact CD2-CD1 3.9Å; Y203-L212 HydrophobicContact CD2-CG 3.89Å; Y203-L212 HydrophobicContact CE1-CB 4.28Å; Y203-L212 HydrophobicContact CE2-CG 4.35Å; Y203-L212 HydrophobicContact CG-CB 3.71Å; Y203-L212 HydrophobicContact CG-CD1 3.81Å; Y203-L212 HydrophobicContact CG-CG 3.74Å; Y203-D215 HydrophobicContact CE1-CB 4.3Å; Y203-D215 PolarHBondContact OH-OD2 3.41Å
204	A	98.4	Very high	98.1	Very high	6 Å²	6	58.3 Å²	58.3	5%	0.05	29%	0.292	C	S	.	.	H	α-helix	trans	-58.6	-40	-179.3	0	0	0	0	0	111.9	Q200 Q201 Q206 H207 N208 G209 I210 H324	Q200-A204 WeakPolarHBondContact O-CB 3.44Å; Q200-A204 PolarHBondContact O-N 2.87Å; Q201-A204 PolarHBondContact O-N 2.79Å; A204-Q206 VanDerWaalsContact C-N 3.33Å; A204-Q206 PolarHBondContact O-N 3.47Å; A204-H207 CarbonylContact O-C 3.55Å; A204-H207 PolarHBondContact O-N 2.9Å; A204-N208 PolarHBondContact O-N 3.43Å; A204-G209 VanDerWaalsContact O-CA 3.28Å; A204-G209 WeakPolarHBondContact O-CA 3.19Å; A204-G209 PolarHBondContact O-N 3.08Å; A204-I210 WeakPolarHBondContact CA-O 3.23Å; A204-H324 HydrophobicContact CB-CB 3.7Å
205	L	98	Very high	98.1	Very high	133 Å²	133	55.6 Å²	55.6	70%	0.696	28%	0.278	S	S	*	.	H	α-helix	trans	-62.5	-38.2	175.4	-71.8	171.5	0	0	0	112.8	Q201 N202 Y203	Q201-L205 HydrophobicContact CG-CD1 4.24Å; Q201-L205 WeakPolarHBondContact O-CG 3.12Å; Q201-L205 PolarHBondContact O-N 2.71Å; N202-L205 PolarHBondContact O-N 3.3Å; Y203-L205 VanDerWaalsContact C-N 3.27Å; Y203-L205 PolarHBondContact O-N 3.27Å
206	Q	98	Very high	98.2	Very high	147 Å²	147	52 Å²	52	69%	0.687	26%	0.264	S	S	*	.	H	α-helix	trans	-78.6	-22.6	179.5	-68.5	172.5	4.8	0	0	113.2	N202 Y203 A204	N202-Q206 VanDerWaalsContact O-CG 3.32Å; N202-Q206 WeakPolarHBondContact O-CG 3.35Å; N202-Q206 PolarHBondContact O-N 2.8Å; N202-Q206 VanDerWaalsContact O-N 3.12Å; Y203-Q206 PolarHBondContact O-N 2.57Å; A204-Q206 VanDerWaalsContact C-N 3.33Å; A204-Q206 PolarHBondContact O-N 3.47Å
207	H	97.9	Very high	98.2	Very high	74 Å²	74	51.7 Å²	51.7	34%	0.343	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	41.3	-173.1	-68.1	-92.9	0	0	0	112.7	Y203 A204 G209 I210	Y203-H207 HydrophobicContact CD1-CB 4.1Å; Y203-H207 AromaticContact CD1-CD2 3.86Å; Y203-H207 AromaticContact CD2-CD2 3.68Å; Y203-H207 AromaticContact CD2-NE2 3.91Å; Y203-H207 HydrophobicContact CE1-CB 3.78Å; Y203-H207 AromaticContact CE1-CD2 3.74Å; Y203-H207 AromaticContact CE1-CG 3.67Å; Y203-H207 AromaticContact CE2-CD2 3.56Å; Y203-H207 AromaticContact CE2-NE2 3.52Å; Y203-H207 AromaticContact CG-CD2 3.84Å; Y203-H207 AromaticContact CZ-CD2 3.58Å; Y203-H207 AromaticContact CZ-CE1 3.98Å; Y203-H207 AromaticContact CZ-CG 3.7Å; Y203-H207 AromaticContact CZ-ND1 3.94Å; Y203-H207 AromaticContact CZ-NE2 3.8Å; Y203-H207 WeakPolarHBondContact O-CB 3.26Å; Y203-H207 PolarHBondContact O-CD2 2.72Å; Y203-H207 VanDerWaalsContact O-CD2 3.25Å; Y203-H207 PolarHBondContact O-N 3.48Å; A204-H207 CarbonylContact O-C 3.55Å; A204-H207 PolarHBondContact O-N 2.9Å; H207-G209 VanDerWaalsContact C-N 3.25Å; H207-G209 PolarHBondContact O-N 3.11Å; H207-G209 VanDerWaalsContact O-N 3.16Å; H207-I210 WeakPolarHBondContact O-CB 3.21Å; H207-I210 VanDerWaalsContact O-CG1 3.3Å; H207-I210 WeakPolarHBondContact O-CG1 3.4Å; H207-I210 PolarHBondContact O-N 2.79Å; H207-I210 VanDerWaalsContact O-N 3.08Å
208	N	96.7	Very high	98.1	Very high	163 Å²	163	54.4 Å²	54.4	87%	0.872	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	35.2	173.3	-61.2	-31.8	0	0	0	114.7	A204 I210	A204-N208 PolarHBondContact O-N 3.43Å; N208-I210 VanDerWaalsContact C-N 3.34Å
209	G	96.3	Very high	98	Very high	29 Å²	29	53 Å²	53	30%	0.299	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	3.2	178.5	0	0	0	0	0	115.1	A204 H207	A204-G209 VanDerWaalsContact O-CA 3.28Å; A204-G209 WeakPolarHBondContact O-CA 3.19Å; A204-G209 PolarHBondContact O-N 3.08Å; H207-G209 VanDerWaalsContact C-N 3.25Å; H207-G209 PolarHBondContact O-N 3.11Å; H207-G209 VanDerWaalsContact O-N 3.16Å
210	I	97.6	Very high	98	Very high	80 Å²	80	52.1 Å²	52.1	41%	0.41	27%	0.266	S	S	.	.			trans	-69.4	126.4	178.4	-60.6	172	0	0	0	109.4	A204 H207 N208 L212 D215	A204-I210 WeakPolarHBondContact CA-O 3.23Å; H207-I210 WeakPolarHBondContact O-CB 3.21Å; H207-I210 VanDerWaalsContact O-CG1 3.3Å; H207-I210 WeakPolarHBondContact O-CG1 3.4Å; H207-I210 PolarHBondContact O-N 2.79Å; H207-I210 VanDerWaalsContact O-N 3.08Å; N208-I210 VanDerWaalsContact C-N 3.34Å; I210-L212 PolarHBondContact O-N 3.07Å; I210-D215 HydrophobicContact CG2-CB 3.83Å
211	P	98.5	Very high	97.8	Very high	11 Å²	11	54.4 Å²	54.4	7%	0.071	28%	0.276	C	S	.	.			trans	-65	132.6	176.6	-17.9	29.7	0	0	0	111.3	L213 L214 D215 K323	P211-L213 PolarHBondContact O-N 2.95Å; P211-L214 HydrophobicContact CB-CB 4.07Å; P211-L214 HydrophobicContact CG-CB 4.36Å; P211-L214 HydrophobicContact CG-CD2 4.43Å; P211-L214 PolarHBondContact O-N 2.89Å; P211-L214 VanDerWaalsContact O-N 3.11Å; P211-D215 PolarHBondContact O-N 2.88Å; P211-D215 VanDerWaalsContact O-N 3.08Å; P211-K323 WeakPolarHBondContact CG-O 3.49Å
212	L	98.7	Very high	97.7	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-49.7	-52.5	-176.3	-173.5	160	0	0	0	112.7	P14 L15 Q200 Y203 I210 L214 D215 Y216	P14-L212 HydrophobicContact CB-CD1 3.94Å; P14-L212 HydrophobicContact CG-CD1 4.33Å; P14-L212 HydrophobicContact CG-CD2 4.24Å; L15-L212 HydrophobicContact CD2-CD2 4.24Å; Q200-L212 HydrophobicContact CG-CB 4.39Å; Y203-L212 VanDerWaalsContact CD1-CA 3.43Å; Y203-L212 HydrophobicContact CD1-CB 3.66Å; Y203-L212 HydrophobicContact CD1-CG 4.1Å; Y203-L212 HydrophobicContact CD2-CB 4.36Å; Y203-L212 HydrophobicContact CD2-CD1 3.9Å; Y203-L212 HydrophobicContact CD2-CG 3.89Å; Y203-L212 HydrophobicContact CE1-CB 4.28Å; Y203-L212 HydrophobicContact CE2-CG 4.35Å; Y203-L212 HydrophobicContact CG-CB 3.71Å; Y203-L212 HydrophobicContact CG-CD1 3.81Å; Y203-L212 HydrophobicContact CG-CG 3.74Å; I210-L212 PolarHBondContact O-N 3.07Å; L212-L214 VanDerWaalsContact C-N 3.33Å; L212-L214 PolarHBondContact O-N 3.11Å; L212-D215 PolarHBondContact O-N 2.84Å; L212-Y216 WeakPolarHBondContact O-CB 3.44Å; L212-Y216 PolarHBondContact O-N 3.03Å
213	L	98.8	Very high	97.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-76.4	-22.2	-174.3	-64.2	175.8	0	0	0	113.4	L15 P211 Y216 A217 W247 M255 L257 Q326 H328	L15-L213 HydrophobicContact CD1-CD1 4.47Å; L15-L213 HydrophobicContact CD1-CD2 4Å; L15-L213 HydrophobicContact CD2-CD1 4.09Å; L15-L213 HydrophobicContact CD2-CD2 4Å; L15-L213 HydrophobicContact CD2-CG 4.06Å; L15-L213 HydrophobicContact CG-CD2 4.15Å; P211-L213 PolarHBondContact O-N 2.95Å; L213-Y216 HydrophobicContact CD2-CD1 4.24Å; L213-A217 VanDerWaalsContact O-CB 3.27Å; L213-A217 WeakPolarHBondContact O-CB 3.36Å; L213-A217 PolarHBondContact O-N 3.45Å; L213-W247 HydrophobicContact CD2-CZ2 4.39Å; L213-M255 HydrophobicContact CD2-CE 4.15Å; L213-M255 HydrophobicContact CD2-SD 4.06Å; L213-L257 HydrophobicContact CB-CD1 4.11Å; L213-L257 WeakPolarHBondContact O-CD1 3.21Å; L213-Q326 HydrophobicContact CB-CB 3.95Å; L213-Q326 HydrophobicContact CB-CG 3.95Å; L213-H328 HydrophobicContact CD1-CB 4.27Å; L213-H328 WeakPolarHBondContact CD1-CE1 3.4Å; L213-H328 WeakPolarHBondContact CD1-ND1 3.33Å
214	L	97.7	Very high	97.3	Very high	19 Å²	19	55.6 Å²	55.6	10%	0.099	29%	0.285	C	S	.	.	H	α-helix	trans	-71.9	-44.1	173.3	-173.4	61.4	0	0	0	110.3	P211 L212 A217 M218 H262	P211-L214 HydrophobicContact CB-CB 4.07Å; P211-L214 HydrophobicContact CG-CB 4.36Å; P211-L214 HydrophobicContact CG-CD2 4.43Å; P211-L214 PolarHBondContact O-N 2.89Å; P211-L214 VanDerWaalsContact O-N 3.11Å; L212-L214 VanDerWaalsContact C-N 3.33Å; L212-L214 PolarHBondContact O-N 3.11Å; L214-A217 PolarHBondContact O-N 2.74Å; L214-M218 HydrophobicContact CD1-CE 4.08Å; L214-M218 HydrophobicContact CD2-CE 4.38Å; L214-M218 HydrophobicContact CG-CE 3.93Å; L214-M218 WeakPolarHBondContact O-CG 3.47Å; L214-M218 PolarHBondContact O-N 3.38Å; L214-M218 VanDerWaalsContact O-N 3.1Å; L214-H262 HydrophobicContact CD2-CB 4.22Å
215	D	98.1	Very high	97.1	Very high	30 Å²	30	60.4 Å²	60.4	16%	0.16	31%	0.309	C	S	.	.	H	α-helix	trans	-61	-47.6	172.4	-166.5	-5	0	0	0	111.1	Y203 I210 P211 L212 A217 M218 Q219	Y203-D215 HydrophobicContact CE1-CB 4.3Å; Y203-D215 PolarHBondContact OH-OD2 3.41Å; I210-D215 HydrophobicContact CG2-CB 3.83Å; P211-D215 PolarHBondContact O-N 2.88Å; P211-D215 VanDerWaalsContact O-N 3.08Å; L212-D215 PolarHBondContact O-N 2.84Å; D215-A217 PolarHBondContact O-N 2.63Å; D215-M218 WeakPolarHBondContact O-CB 3.32Å; D215-M218 PolarHBondContact O-N 2.7Å; D215-M218 VanDerWaalsContact O-N 3.13Å; D215-Q219 WeakPolarHBondContact O-CG 3.25Å; D215-Q219 PolarHBondContact O-N 3.21Å; D215-Q219 PolarHBondContact OD1-NE2 3.38Å
216	Y	98.5	Very high	96.8	Very high	25 Å²	25	60.1 Å²	60.1	10%	0.098	31%	0.308	C	S	.	.	H	α-helix	trans	-58.9	-44	177.6	-177.8	-124.4	0	0	0	112.8	L212 L213 M218 Q219 E220 I243 P245 W246 W247	L212-Y216 WeakPolarHBondContact O-CB 3.44Å; L212-Y216 PolarHBondContact O-N 3.03Å; L213-Y216 HydrophobicContact CD2-CD1 4.24Å; Y216-M218 VanDerWaalsContact C-N 3.33Å; Y216-M218 PolarHBondContact O-N 3.34Å; Y216-Q219 PolarHBondContact O-N 2.82Å; Y216-E220 HydrophobicContact CD2-CG 4.16Å; Y216-E220 HydrophobicContact CE1-CG 4.2Å; Y216-E220 HydrophobicContact CE2-CG 3.65Å; Y216-E220 VanDerWaalsContact CE2-OE1 3.31Å; Y216-E220 WeakPolarHBondContact CE2-OE1 3.34Å; Y216-E220 WeakPolarHBondContact O-CG 3.41Å; Y216-E220 PolarHBondContact O-N 2.98Å; Y216-E220 PolarHBondContact OH-OE1 3.21Å; Y216-I243 HydrophobicContact CD1-CD1 4.07Å; Y216-I243 HydrophobicContact CE1-CD1 3.37Å; Y216-P245 WeakPolarHBondContact OH-CA 3.5Å; Y216-W246 HydrophobicContact CE2-CB 4.47Å; Y216-W246 PolarHBondContact OH-N 2.81Å; Y216-W247 AromaticContact CD1-CH2 3.45Å; Y216-W247 HydrophobicContact CD1-CH2 3.45Å; Y216-W247 VanDerWaalsContact CD1-CH2 3.45Å; Y216-W247 AromaticContact CD1-CZ2 3.99Å; Y216-W247 HydrophobicContact CD1-CZ2 3.99Å; Y216-W247 HydrophobicContact CD1-CZ3 4.32Å; Y216-W247 AromaticContact CD2-CH2 3.83Å; Y216-W247 HydrophobicContact CD2-CH2 3.83Å; Y216-W247 AromaticContact CD2-CZ3 3.97Å; Y216-W247 HydrophobicContact CD2-CZ3 3.97Å; Y216-W247 AromaticContact CE1-CH2 3.32Å; Y216-W247 HydrophobicContact CE1-CH2 3.32Å; Y216-W247 AromaticContact CE1-CZ2 3.72Å; Y216-W247 HydrophobicContact CE1-CZ2 3.72Å; Y216-W247 AromaticContact CE1-CZ3 3.97Å; Y216-W247 HydrophobicContact CE1-CZ3 3.97Å; Y216-W247 AromaticContact CE2-CH2 3.78Å; Y216-W247 HydrophobicContact CE2-CH2 3.78Å; Y216-W247 AromaticContact CE2-CZ3 3.66Å; Y216-W247 HydrophobicContact CE2-CZ3 3.66Å; Y216-W247 AromaticContact CG-CH2 3.7Å; Y216-W247 HydrophobicContact CG-CH2 3.7Å; Y216-W247 HydrophobicContact CG-CZ3 4.32Å; Y216-W247 AromaticContact CZ-CH2 3.53Å; Y216-W247 AromaticContact CZ-CZ3 3.66Å
217	A	98.3	Very high	96.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-41.7	175.6	0	0	0	0	0	112.2	L213 L214 D215 K221 L241 L257 H259	L213-A217 VanDerWaalsContact O-CB 3.27Å; L213-A217 WeakPolarHBondContact O-CB 3.36Å; L213-A217 PolarHBondContact O-N 3.45Å; L214-A217 PolarHBondContact O-N 2.74Å; D215-A217 PolarHBondContact O-N 2.63Å; A217-K221 VanDerWaalsContact O-CB 3.3Å; A217-K221 WeakPolarHBondContact O-CB 3.43Å; A217-K221 PolarHBondContact O-N 2.75Å; A217-L241 HydrophobicContact CB-CD2 4.33Å; A217-L257 HydrophobicContact CB-CD1 3.74Å; A217-L257 HydrophobicContact CB-CG 4.08Å; A217-H259 HydrophobicContact CB-CB 4.05Å
218	M	96.7	Very high	95.4	Very high	89 Å²	89	55.6 Å²	55.6	44%	0.438	31%	0.305	S	S	.	.	H	α-helix	trans	-63.5	-44.8	176.7	-70.8	178.6	-174.8	0	0	111.2	L214 D215 Y216 K221 M222	L214-M218 HydrophobicContact CD1-CE 4.08Å; L214-M218 HydrophobicContact CD2-CE 4.38Å; L214-M218 HydrophobicContact CG-CE 3.93Å; L214-M218 WeakPolarHBondContact O-CG 3.47Å; L214-M218 PolarHBondContact O-N 3.38Å; L214-M218 VanDerWaalsContact O-N 3.1Å; D215-M218 WeakPolarHBondContact O-CB 3.32Å; D215-M218 PolarHBondContact O-N 2.7Å; D215-M218 VanDerWaalsContact O-N 3.13Å; Y216-M218 VanDerWaalsContact C-N 3.33Å; Y216-M218 PolarHBondContact O-N 3.34Å; M218-K221 PolarHBondContact O-N 2.87Å; M218-M222 WeakPolarHBondContact O-CG 3.07Å; M218-M222 PolarHBondContact O-N 3.41Å
219	Q	96.8	Very high	94.7	Very high	97 Å²	97	51.5 Å²	51.5	45%	0.453	29%	0.289	S	S	.	.	H	α-helix	trans	-65.2	-43.9	178.2	-69	-176.3	46	0	0	112.4	D215 Y216 K221 M222 N223	D215-Q219 WeakPolarHBondContact O-CG 3.25Å; D215-Q219 PolarHBondContact O-N 3.21Å; D215-Q219 PolarHBondContact OD1-NE2 3.38Å; Y216-Q219 PolarHBondContact O-N 2.82Å; Q219-K221 VanDerWaalsContact C-N 3.3Å; Q219-K221 PolarHBondContact O-N 3.3Å; Q219-M222 PolarHBondContact O-N 3.06Å; Q219-N223 WeakPolarHBondContact O-CB 3.48Å; Q219-N223 PolarHBondContact O-N 3.03Å; Q219-N223 PolarHBondContact O-ND2 2.93Å
220	E	97.9	Very high	94.3	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-60.6	-41.2	175.4	-75	-68.4	-176.7	0	0	112	Y216 N223 M224 R232 V233 L241 I243	Y216-E220 HydrophobicContact CD2-CG 4.16Å; Y216-E220 HydrophobicContact CE1-CG 4.2Å; Y216-E220 HydrophobicContact CE2-CG 3.65Å; Y216-E220 VanDerWaalsContact CE2-OE1 3.31Å; Y216-E220 WeakPolarHBondContact CE2-OE1 3.34Å; Y216-E220 WeakPolarHBondContact O-CG 3.41Å; Y216-E220 PolarHBondContact O-N 2.98Å; Y216-E220 PolarHBondContact OH-OE1 3.21Å; E220-N223 PolarHBondContact O-N 2.91Å; E220-M224 PolarHBondContact O-N 3.28Å; E220-R232 IonicContact OE1-CZ 3.67Å; E220-R232 IonicContact OE1-NE 3.57Å; E220-R232 PolarHBondContact OE1-NE 3.49Å; E220-R232 IonicContact OE1-NH2 3.56Å; E220-R232 PolarHBondContact OE1-NH2 2.96Å; E220-R232 IonicContact OE2-CZ 3.3Å; E220-R232 IonicContact OE2-NE 3.86Å; E220-R232 IonicContact OE2-NH2 2.72Å; E220-R232 PolarHBondContact OE2-NH2 2.73Å; E220-V233 HydrophobicContact CB-CG2 4.26Å; E220-L241 HydrophobicContact CB-CD2 4.15Å; E220-I243 HydrophobicContact CB-CG2 4.18Å; E220-I243 HydrophobicContact CG-CD1 4.07Å; E220-I243 HydrophobicContact CG-CG2 4.35Å
221	K	96.1	Very high	94.2	Very high	47 Å²	47	50.4 Å²	50.4	20%	0.204	28%	0.277	C	S	.	.	H	α-helix	trans	-65.1	-41.7	175.6	-174.9	-179.6	179.4	-177.2	0	112.2	A217 M218 Q219 M224 I225 H259	A217-K221 VanDerWaalsContact O-CB 3.3Å; A217-K221 WeakPolarHBondContact O-CB 3.43Å; A217-K221 PolarHBondContact O-N 2.75Å; M218-K221 PolarHBondContact O-N 2.87Å; Q219-K221 VanDerWaalsContact C-N 3.3Å; Q219-K221 PolarHBondContact O-N 3.3Å; K221-M224 HydrophobicContact CG-CE 4.46Å; K221-M224 WeakPolarHBondContact O-CB 3.09Å; K221-M224 PolarHBondContact O-N 3.42Å; K221-I225 HydrophobicContact CG-CD1 4.47Å; K221-I225 WeakPolarHBondContact O-CG1 3.26Å; K221-I225 PolarHBondContact O-N 2.99Å; K221-H259 PolarHBondContact NZ-CE1 3.1Å; K221-H259 VanDerWaalsContact NZ-CE1 3.32Å; K221-H259 PolarHBondContact NZ-ND1 3.02Å
222	M	95.3	Very high	94.2	Very high	90 Å²	90	50.8 Å²	50.8	44%	0.443	28%	0.277	S	S	.	.	H	α-helix	trans	-65.3	-40.8	174.8	-70.9	-58.2	106	0	0	111.5	M218 Q219 M224 I225 N226	M218-M222 WeakPolarHBondContact O-CG 3.07Å; M218-M222 PolarHBondContact O-N 3.41Å; Q219-M222 PolarHBondContact O-N 3.06Å; M222-M224 VanDerWaalsContact C-N 3.34Å; M222-M224 PolarHBondContact O-N 3.43Å; M222-I225 HydrophobicContact CE-CD1 3.69Å; M222-I225 PolarHBondContact O-N 3.1Å; M222-I225 VanDerWaalsContact O-N 3.14Å; M222-N226 WeakPolarHBondContact O-CB 3.2Å; M222-N226 VanDerWaalsContact O-CG 3.26Å; M222-N226 PolarHBondContact O-N 3Å; M222-N226 PolarHBondContact O-ND2 2.78Å
223	N	94	Very high	94.2	Very high	70 Å²	70	50.8 Å²	50.8	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-61	-42.4	175.7	-71.7	-24.4	0	0	0	111.6	Q219 E220 I225 N226 C227	Q219-N223 WeakPolarHBondContact O-CB 3.48Å; Q219-N223 PolarHBondContact O-N 3.03Å; Q219-N223 PolarHBondContact O-ND2 2.93Å; E220-N223 PolarHBondContact O-N 2.91Å; N223-I225 VanDerWaalsContact C-N 3.3Å; N223-I225 PolarHBondContact O-N 3Å; N223-N226 PolarHBondContact O-N 3.44Å; N223-C227 CarbonylContact O-C 3.56Å; N223-C227 PolarHBondContact O-N 2.7Å
224	M	95.1	Very high	94.1	Very high	53 Å²	53	51.4 Å²	51.4	26%	0.261	28%	0.28	S	S	.	.	H	α-helix	trans	-57.1	-42.1	173.3	-178.3	-169.5	67.7	0	0	112.5	E220 K221 M222 S231 V233 C236	E220-M224 PolarHBondContact O-N 3.28Å; K221-M224 HydrophobicContact CG-CE 4.46Å; K221-M224 WeakPolarHBondContact O-CB 3.09Å; K221-M224 PolarHBondContact O-N 3.42Å; M222-M224 VanDerWaalsContact C-N 3.34Å; M222-M224 PolarHBondContact O-N 3.43Å; M224-S231 WeakPolarHBondContact CA-OG 3.32Å; M224-S231 WeakPolarHBondContact CB-OG 3.4Å; M224-V233 HydrophobicContact CB-CB 4.2Å; M224-V233 HydrophobicContact CB-CG2 3.9Å; M224-V233 HydrophobicContact CG-CB 4.14Å; M224-V233 HydrophobicContact CG-CG2 4.37Å; M224-V233 HydrophobicContact SD-CB 3.69Å; M224-V233 HydrophobicContact SD-CG1 3.5Å; M224-V233 WeakPolarHBondContact SD-CG1 3.47Å; M224-V233 HydrophobicContact SD-CG2 4.14Å; M224-C236 HydrophobicContact CE-CB 4.04Å; M224-C236 HydrophobicContact SD-CB 4.2Å
225	I	93.3	Very high	94.2	Very high	106 Å²	106	51.3 Å²	51.3	54%	0.544	28%	0.28	S	S	.	.	H	α-helix	trans	-69.9	-38.6	179.7	-66.4	165.9	0	0	0	111.2	K221 M222 N223	K221-I225 HydrophobicContact CG-CD1 4.47Å; K221-I225 WeakPolarHBondContact O-CG1 3.26Å; K221-I225 PolarHBondContact O-N 2.99Å; M222-I225 HydrophobicContact CE-CD1 3.69Å; M222-I225 PolarHBondContact O-N 3.1Å; M222-I225 VanDerWaalsContact O-N 3.14Å; N223-I225 VanDerWaalsContact C-N 3.3Å; N223-I225 PolarHBondContact O-N 3Å
226	N	91.8	Very high	94.1	Very high	128 Å²	128	52.5 Å²	52.5	68%	0.684	29%	0.29	S	S	*	.	H	α-helix	trans	-88	-33.5	-172.3	-66.4	-26.8	0	0	0	114	M222 N223	M222-N226 WeakPolarHBondContact O-CB 3.2Å; M222-N226 VanDerWaalsContact O-CG 3.26Å; M222-N226 PolarHBondContact O-N 3Å; M222-N226 PolarHBondContact O-ND2 2.78Å; N223-N226 PolarHBondContact O-N 3.44Å
227	C	84.6	Confident	94.1	Very high	52 Å²	52	52.4 Å²	52.4	35%	0.351	29%	0.293	S	S	.	.			trans	-145.8	83.6	-175.7	-168.1	0	0	0	0	110.6	N223 S229 D230 S231	N223-C227 CarbonylContact O-C 3.56Å; N223-C227 PolarHBondContact O-N 2.7Å; C227-S229 VanDerWaalsContact C-N 3.28Å; C227-S229 PolarHBondContact O-N 2.88Å; C227-D230 PolarHBondContact O-N 3.46Å; C227-S231 PolarHBondContact O-N 2.87Å
228	A	82.3	Confident	94.1	Very high	74 Å²	74	56.3 Å²	56.3	61%	0.612	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-61.8	-32.3	-174.9	0	0	0	0	0	113.8	D230 S231	A228-D230 VanDerWaalsContact C-N 3.26Å; A228-D230 PolarHBondContact O-N 3.41Å; A228-S231 WeakPolarHBondContact O-CB 3.42Å; A228-S231 PolarHBondContact O-N 2.84Å
229	S	83.2	Confident	94.1	Very high	77 Å²	77	54.2 Å²	54.2	54%	0.538	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-66	-26.6	-179	59.9	0	0	0	0	113.8	C227	C227-S229 VanDerWaalsContact C-N 3.28Å; C227-S229 PolarHBondContact O-N 2.88Å
230	D	88	Confident	94.2	Very high	83 Å²	83	49.6 Å²	49.6	44%	0.444	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-106.7	8.7	-176.7	-60.6	-1.5	0	0	0	111	C227 A228	C227-D230 PolarHBondContact O-N 3.46Å; A228-D230 VanDerWaalsContact C-N 3.26Å; A228-D230 PolarHBondContact O-N 3.41Å
231	S	95	Very high	94.3	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.014	28%	0.284	C	S	.	.			trans	-71.1	135.4	-175.6	-172.8	0	0	0	0	111	M224 C227 A228 V233 R368	M224-S231 WeakPolarHBondContact CA-OG 3.32Å; M224-S231 WeakPolarHBondContact CB-OG 3.4Å; C227-S231 PolarHBondContact O-N 2.87Å; A228-S231 WeakPolarHBondContact O-CB 3.42Å; A228-S231 PolarHBondContact O-N 2.84Å; S231-V233 PolarHBondContact OG-N 2.91Å; S231-V233 VanDerWaalsContact OG-N 3.16Å; S231-R368 VanDerWaalsContact O-CZ 3.29Å; S231-R368 PolarHBondContact O-NH1 3.3Å; S231-R368 PolarHBondContact O-NH2 3.42Å
232	R	97.8	Very high	94.4	Very high	20 Å²	20	47.3 Å²	47.3	8%	0.075	27%	0.274	C	S	.	.			trans	-94.2	-0.3	169.8	-74	173.4	-60	-74.9	-11.3	113.4	E220 I243 V244 P360 E361	E220-R232 IonicContact OE1-CZ 3.67Å; E220-R232 IonicContact OE1-NE 3.57Å; E220-R232 PolarHBondContact OE1-NE 3.49Å; E220-R232 IonicContact OE1-NH2 3.56Å; E220-R232 PolarHBondContact OE1-NH2 2.96Å; E220-R232 IonicContact OE2-CZ 3.3Å; E220-R232 IonicContact OE2-NE 3.86Å; E220-R232 IonicContact OE2-NH2 2.72Å; E220-R232 PolarHBondContact OE2-NH2 2.73Å; R232-I243 CarbonylContact O-C 3.53Å; R232-I243 WeakPolarHBondContact O-CA 3.42Å; R232-V244 WeakPolarHBondContact CB-O 3.24Å; R232-V244 VanDerWaalsContact CD-O 3.26Å; R232-V244 WeakPolarHBondContact CD-O 3.45Å; R232-V244 WeakPolarHBondContact CG-O 3.22Å; R232-V244 PolarHBondContact O-N 3.47Å; R232-P360 HydrophobicContact CG-CB 4.28Å; R232-E361 WeakPolarHBondContact CD-OE1 3.44Å; R232-E361 HydrophobicContact CG-CG 4.18Å; R232-E361 IonicContact CZ-OE1 3.07Å; R232-E361 IonicContact NE-OE1 3.87Å; R232-E361 IonicContact NH1-OE1 3.87Å; R232-E361 PolarHBondContact NH1-OE1 2.92Å
233	V	98.3	Very high	94.6	Very high	4 Å²	4	43 Å²	43	2%	0.024	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	120.8	-179.9	-179.4	0	0	0	0	110.7	E220 M224 S231 C236 L241 I243 R368	E220-V233 HydrophobicContact CB-CG2 4.26Å; M224-V233 HydrophobicContact CB-CB 4.2Å; M224-V233 HydrophobicContact CB-CG2 3.9Å; M224-V233 HydrophobicContact CG-CB 4.14Å; M224-V233 HydrophobicContact CG-CG2 4.37Å; M224-V233 HydrophobicContact SD-CB 3.69Å; M224-V233 HydrophobicContact SD-CG1 3.5Å; M224-V233 WeakPolarHBondContact SD-CG1 3.47Å; M224-V233 HydrophobicContact SD-CG2 4.14Å; S231-V233 PolarHBondContact OG-N 2.91Å; S231-V233 VanDerWaalsContact OG-N 3.16Å; V233-C236 HydrophobicContact CG1-CB 4.11Å; V233-L241 HydrophobicContact CB-CD1 4.42Å; V233-L241 HydrophobicContact CG1-CD1 3.49Å; V233-L241 VanDerWaalsContact CG1-CD1 3.49Å; V233-L241 HydrophobicContact CG1-CG 4.27Å; V233-L241 HydrophobicContact CG2-CD1 3.99Å; V233-L241 HydrophobicContact CG2-CD2 4.34Å; V233-L241 HydrophobicContact CG2-CG 4.41Å; V233-I243 HydrophobicContact CB-CG2 4.18Å; V233-I243 HydrophobicContact CG2-CG2 3.65Å; V233-R368 WeakPolarHBondContact O-CD 3.37Å; V233-R368 PolarHBondContact O-NH1 2.98Å
234	I	98.1	Very high	94.8	Very high	12 Å²	12	39.7 Å²	39.7	6%	0.062	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-43.8	176.9	-54	155.2	0	0	0	110.1	V242 V244 T254 A364 L367 R368	I234-V242 HydrophobicContact CB-CG1 4.45Å; I234-V242 HydrophobicContact CD1-CG1 4.12Å; I234-V242 PolarHBondContact N-O 2.87Å; I234-V244 HydrophobicContact CD1-CG2 3.79Å; I234-V244 HydrophobicContact CG1-CG2 4.32Å; I234-T254 HydrophobicContact CD1-CG2 3.33Å; I234-A364 HydrophobicContact CG1-CB 4.27Å; I234-L367 HydrophobicContact CD1-CB 4.3Å; I234-L367 HydrophobicContact CD1-CD1 3.54Å; I234-L367 HydrophobicContact CG1-CB 4.23Å; I234-L367 HydrophobicContact CG1-CD1 4.3Å; I234-L367 HydrophobicContact CG2-CB 3.97Å; I234-R368 HydrophobicContact CG2-CG 4.4Å
235	I	98.2	Very high	95	Very high	17 Å²	17	37.2 Å²	37.2	9%	0.087	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	130.7	-178.9	-55.2	165.6	0	0	0	108.1	L241 V242 V280 N283 L284	I235-L241 CarbonylContact O-C 3.48Å; I235-L241 WeakPolarHBondContact O-CA 2.98Å; I235-V242 HydrophobicContact CB-CB 3.91Å; I235-V242 HydrophobicContact CB-CG2 3.9Å; I235-V242 HydrophobicContact CD1-CB 4.32Å; I235-V242 HydrophobicContact CD1-CG2 4.05Å; I235-V242 HydrophobicContact CG1-CB 4.32Å; I235-V242 HydrophobicContact CG1-CG2 4.4Å; I235-V242 PolarHBondContact N-O 2.85Å; I235-V242 PolarHBondContact O-N 2.87Å; I235-V280 HydrophobicContact CG2-CG1 4.49Å; I235-V280 HydrophobicContact CG2-CG2 4.22Å; I235-N283 HydrophobicContact CD1-CB 3.82Å; I235-N283 WeakPolarHBondContact CD1-OD1 3.47Å; I235-L284 HydrophobicContact CD1-CB 4.08Å
236	C	97.7	Very high	95.2	Very high	55 Å²	55	36.7 Å²	36.7	37%	0.372	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	100.6	168.2	-179.7	0	0	0	0	108	M224 V233 L241	M224-C236 HydrophobicContact CE-CB 4.04Å; M224-C236 HydrophobicContact SD-CB 4.2Å; V233-C236 HydrophobicContact CG1-CB 4.11Å; C236-L241 HydrophobicContact CB-CD1 3.88Å
237	S	97.7	Very high	95.5	Very high	23 Å²	23	31 Å²	31	16%	0.161	18%	0.184	C	C	.	.			trans	-95.5	-170.9	176.9	76.8	0	0	0	0	111.2	H239 W240 H259 D276 V280	S237-H239 VanDerWaalsContact C-N 3.35Å; S237-H239 PolarHBondContact O-N 2.81Å; S237-W240 PolarHBondContact N-O 3.2Å; S237-W240 PolarHBondContact OG-N 2.63Å; S237-W240 PolarHBondContact OG-O 3.27Å; S237-H259 PolarHBondContact O-NE2 3.44Å; S237-D276 VanDerWaalsContact CB-OD1 3.28Å; S237-D276 WeakPolarHBondContact CB-OD1 3.49Å; S237-D276 WeakPolarHBondContact CB-OD2 3.18Å; S237-D276 VanDerWaalsContact OG-CG 3.26Å; S237-D276 PolarHBondContact OG-OD1 3.33Å; S237-D276 PolarHBondContact OG-OD2 2.79Å; S237-V280 VanDerWaalsContact CB-CG2 3.5Å; S237-V280 WeakPolarHBondContact OG-CG2 3.06Å
238	T	97.8	Very high	96.1	Very high	83 Å²	83	28.6 Å²	28.6	51%	0.509	17%	0.167	S	C	.	.	S	Bend	trans	-60.5	-44.1	179.7	-58	0	0	0	0	111.8	K260 D276	T238-K260 WeakPolarHBondContact O-CD 3.38Å; T238-K260 WeakPolarHBondContact O-CE 3.42Å; T238-K260 PolarHBondContact O-NZ 2.77Å; T238-D276 PolarHBondContact N-OD2 3.28Å
239	H	98.4	Very high	96.8	Very high	44 Å²	44	26 Å²	26	20%	0.204	14%	0.144	C	C	.	.	S	Bend	trans	-114.8	-26.3	-174.1	-61.3	-83.3	0	0	0	113.6	S237 P258 H259 E273 D276	S237-H239 VanDerWaalsContact C-N 3.35Å; S237-H239 PolarHBondContact O-N 2.81Å; H239-P258 WeakPolarHBondContact O-CA 3.05Å; H239-H259 PolarHBondContact O-CD2 3.01Å; H239-H259 VanDerWaalsContact O-CD2 3.27Å; H239-H259 PolarHBondContact O-N 2.73Å; H239-E273 HydrophobicContact CB-CG 3.91Å; H239-E273 WeakPolarHBondContact ND1-CG 3.47Å; H239-E273 IonicContact ND1-OE1 3.5Å; H239-D276 WeakPolarHBondContact CB-OD2 3.27Å; H239-D276 IonicContact CD2-OD2 2.7Å; H239-D276 IonicContact CG-OD2 3.28Å; H239-D276 PolarHBondContact N-OD2 3.45Å
240	W	98.7	Very high	97.4	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	149.9	-170.4	-57.8	91.7	0	0	0	113.1	S237 I256 P258 H259 L269 E273 L277 V280 W302 L327	S237-W240 PolarHBondContact N-O 3.2Å; S237-W240 PolarHBondContact OG-N 2.63Å; S237-W240 PolarHBondContact OG-O 3.27Å; W240-I256 HydrophobicContact CB-CG2 4.45Å; W240-I256 HydrophobicContact CD2-CG2 4.35Å; W240-I256 HydrophobicContact CE3-CG2 3.68Å; W240-I256 HydrophobicContact CZ3-CG2 4.28Å; W240-P258 HydrophobicContact CE3-CG 4Å; W240-P258 HydrophobicContact CH2-CG 4.04Å; W240-P258 HydrophobicContact CZ3-CG 3.64Å; W240-H259 PolarHBondContact O-CD2 2.85Å; W240-H259 PolarHBondContact O-NE2 2.95Å; W240-L269 HydrophobicContact CH2-CD1 4.26Å; W240-L269 HydrophobicContact CH2-CD2 3.88Å; W240-L269 HydrophobicContact CZ2-CD1 4.01Å; W240-L269 HydrophobicContact CZ2-CD2 3.64Å; W240-E273 PolarHBondContact NE1-O 3.07Å; W240-L277 HydrophobicContact CD2-CB 4.46Å; W240-L277 HydrophobicContact CD2-CD1 3.95Å; W240-L277 HydrophobicContact CE3-CD1 4.16Å; W240-L277 HydrophobicContact CG-CD1 4.47Å; W240-L277 HydrophobicContact CH2-CD1 4.16Å; W240-L277 HydrophobicContact CH2-CD2 4.01Å; W240-L277 HydrophobicContact CZ2-CB 3.86Å; W240-L277 HydrophobicContact CZ2-CD1 3.99Å; W240-L277 HydrophobicContact CZ2-CD2 3.75Å; W240-L277 HydrophobicContact CZ2-CG 4.07Å; W240-L277 HydrophobicContact CZ3-CD1 4.24Å; W240-V280 HydrophobicContact CB-CG1 4.26Å; W240-V280 HydrophobicContact CB-CG2 4.15Å; W240-W302 AromaticContact CH2-CH2 3.96Å; W240-W302 HydrophobicContact CH2-CH2 3.96Å; W240-W302 HydrophobicContact CH2-CZ3 4.12Å; W240-W302 AromaticContact CZ3-CH2 3.94Å; W240-W302 HydrophobicContact CZ3-CH2 3.94Å; W240-W302 AromaticContact CZ3-CZ3 3.97Å; W240-W302 HydrophobicContact CZ3-CZ3 3.97Å; W240-L327 HydrophobicContact CH2-CD2 4.05Å
241	L	98.6	Very high	97.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.8	171.7	-165.4	73.3	0	0	0	107.8	A217 E220 V233 I235 C236 I243 I256 L257 H259	A217-L241 HydrophobicContact CB-CD2 4.33Å; E220-L241 HydrophobicContact CB-CD2 4.15Å; V233-L241 HydrophobicContact CB-CD1 4.42Å; V233-L241 HydrophobicContact CG1-CD1 3.49Å; V233-L241 VanDerWaalsContact CG1-CD1 3.49Å; V233-L241 HydrophobicContact CG1-CG 4.27Å; V233-L241 HydrophobicContact CG2-CD1 3.99Å; V233-L241 HydrophobicContact CG2-CD2 4.34Å; V233-L241 HydrophobicContact CG2-CG 4.41Å; I235-L241 CarbonylContact O-C 3.48Å; I235-L241 WeakPolarHBondContact O-CA 2.98Å; C236-L241 HydrophobicContact CB-CD1 3.88Å; L241-I243 HydrophobicContact CD2-CG2 3.72Å; L241-I243 HydrophobicContact CG-CG2 3.89Å; L241-I256 WeakPolarHBondContact O-CA 3.35Å; L241-L257 HydrophobicContact CB-CD2 4.2Å; L241-L257 PolarHBondContact N-O 3.19Å; L241-L257 PolarHBondContact O-N 3.13Å; L241-H259 HydrophobicContact CB-CB 4.11Å
242	V	98.9	Very high	98	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.9	169.7	-173.1	0	0	0	0	107.9	I234 I235 T254 M255 I256 V280 L284	I234-V242 HydrophobicContact CB-CG1 4.45Å; I234-V242 HydrophobicContact CD1-CG1 4.12Å; I234-V242 PolarHBondContact N-O 2.87Å; I235-V242 HydrophobicContact CB-CB 3.91Å; I235-V242 HydrophobicContact CB-CG2 3.9Å; I235-V242 HydrophobicContact CD1-CB 4.32Å; I235-V242 HydrophobicContact CD1-CG2 4.05Å; I235-V242 HydrophobicContact CG1-CB 4.32Å; I235-V242 HydrophobicContact CG1-CG2 4.4Å; I235-V242 PolarHBondContact N-O 2.85Å; I235-V242 PolarHBondContact O-N 2.87Å; V242-T254 HydrophobicContact CG1-CG2 4.41Å; V242-M255 WeakPolarHBondContact CA-O 3.21Å; V242-I256 HydrophobicContact CG1-CG1 4.33Å; V242-I256 HydrophobicContact CG2-CD1 4.38Å; V242-I256 HydrophobicContact CG2-CG1 3.98Å; V242-I256 HydrophobicContact CG2-CG2 4.33Å; V242-V280 HydrophobicContact CG2-CG1 3.23Å; V242-L284 HydrophobicContact CG1-CD1 4Å; V242-L284 HydrophobicContact CG1-CD2 3.98Å; V242-L284 HydrophobicContact CG1-CG 4.42Å
243	I	98.7	Very high	98	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	154.3	-176.4	51.6	174.5	0	0	0	110.7	Y216 E220 R232 V233 L241 P245 T254 M255 L257	Y216-I243 HydrophobicContact CD1-CD1 4.07Å; Y216-I243 HydrophobicContact CE1-CD1 3.37Å; E220-I243 HydrophobicContact CB-CG2 4.18Å; E220-I243 HydrophobicContact CG-CD1 4.07Å; E220-I243 HydrophobicContact CG-CG2 4.35Å; R232-I243 CarbonylContact O-C 3.53Å; R232-I243 WeakPolarHBondContact O-CA 3.42Å; V233-I243 HydrophobicContact CB-CG2 4.18Å; V233-I243 HydrophobicContact CG2-CG2 3.65Å; L241-I243 HydrophobicContact CD2-CG2 3.72Å; L241-I243 HydrophobicContact CG-CG2 3.89Å; I243-P245 WeakPolarHBondContact O-CD 3.5Å; I243-T254 CarbonylContact O-C 3.53Å; I243-T254 WeakPolarHBondContact O-CA 3.43Å; I243-T254 WeakPolarHBondContact O-CB 3.27Å; I243-M255 HydrophobicContact CD1-SD 4.49Å; I243-M255 HydrophobicContact CG1-CB 4.05Å; I243-M255 PolarHBondContact N-O 2.93Å; I243-M255 PolarHBondContact O-N 3.29Å; I243-L257 HydrophobicContact CD1-CD2 3.92Å; I243-L257 HydrophobicContact CG1-CD2 3.99Å
244	V	98.7	Very high	98	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.			trans	-84.7	112	155.4	-176.8	0	0	0	0	107.3	R232 I234 A248 E253 T254 P360 A363 A364 L367	R232-V244 WeakPolarHBondContact CB-O 3.24Å; R232-V244 VanDerWaalsContact CD-O 3.26Å; R232-V244 WeakPolarHBondContact CD-O 3.45Å; R232-V244 WeakPolarHBondContact CG-O 3.22Å; R232-V244 PolarHBondContact O-N 3.47Å; I234-V244 HydrophobicContact CD1-CG2 3.79Å; I234-V244 HydrophobicContact CG1-CG2 4.32Å; V244-A248 HydrophobicContact CG1-CB 3.82Å; V244-E253 WeakPolarHBondContact CA-O 3.24Å; V244-E253 WeakPolarHBondContact CG1-O 3.25Å; V244-T254 HydrophobicContact CG2-CG2 4.33Å; V244-P360 HydrophobicContact CG1-CB 3.75Å; V244-A363 HydrophobicContact CG1-CB 4.31Å; V244-A363 HydrophobicContact CG2-CB 4.28Å; V244-A364 HydrophobicContact CB-CB 4.28Å; V244-A364 HydrophobicContact CG2-CB 3.76Å; V244-L367 HydrophobicContact CG2-CD1 4.3Å
245	P	98.5	Very high	98.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.104	C	C	.	.			trans	-56.8	148	-175.7	-25.7	34.1	0	0	0	112.7	Y216 I243 W247 A248 M255 M330	Y216-P245 WeakPolarHBondContact OH-CA 3.5Å; I243-P245 WeakPolarHBondContact O-CD 3.5Å; P245-W247 HydrophobicContact CB-CD2 4.3Å; P245-W247 HydrophobicContact CB-CG 4.32Å; P245-W247 PolarHBondContact O-N 2.92Å; P245-W247 VanDerWaalsContact O-N 3.07Å; P245-A248 HydrophobicContact CB-CB 4.44Å; P245-A248 WeakPolarHBondContact O-CB 3.13Å; P245-A248 PolarHBondContact O-N 2.85Å; P245-M255 HydrophobicContact CG-CB 3.79Å; P245-M255 HydrophobicContact CG-CE 4.22Å; P245-M330 HydrophobicContact CG-CE 4.25Å
246	W	97.8	Very high	98.1	Very high	95 Å²	95	19.5 Å²	19.5	36%	0.36	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-36.2	174.1	170.4	-100.4	0	0	0	112	R11 Y216	R11-W246 WeakPolarHBondContact CD-O 3.49Å; R11-W246 HydrophobicContact CG-CZ2 3.84Å; R11-W246 PolarHBondContact NH1-O 3.19Å; Y216-W246 HydrophobicContact CE2-CB 4.47Å; Y216-W246 PolarHBondContact OH-N 2.81Å
247	W	98.1	Very high	98.2	Very high	10 Å²	10	16.9 Å²	16.9	4%	0.038	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	20.9	-178.5	54.4	79.3	0	0	0	113.9	N13 P14 L15 I20 L213 Y216 P245 C249 M255	N13-W247 HydrophobicContact CB-CB 3.65Å; N13-W247 HydrophobicContact CB-CG 3.78Å; N13-W247 PolarHBondContact OD1-NE1 3.02Å; P14-W247 VanDerWaalsContact CD-CZ3 3.45Å; P14-W247 HydrophobicContact CG-CE3 3.98Å; P14-W247 HydrophobicContact CG-CH2 3.72Å; P14-W247 HydrophobicContact CG-CZ2 4.29Å; P14-W247 HydrophobicContact CG-CZ3 3.56Å; L15-W247 HydrophobicContact CD1-CZ2 4.19Å; L15-W247 HydrophobicContact CG-CZ2 4.32Å; I20-W247 HydrophobicContact CD1-CB 3.84Å; I20-W247 WeakPolarHBondContact CD1-O 3.43Å; L213-W247 HydrophobicContact CD2-CZ2 4.39Å; Y216-W247 AromaticContact CD1-CH2 3.45Å; Y216-W247 HydrophobicContact CD1-CH2 3.45Å; Y216-W247 VanDerWaalsContact CD1-CH2 3.45Å; Y216-W247 AromaticContact CD1-CZ2 3.99Å; Y216-W247 HydrophobicContact CD1-CZ2 3.99Å; Y216-W247 HydrophobicContact CD1-CZ3 4.32Å; Y216-W247 AromaticContact CD2-CH2 3.83Å; Y216-W247 HydrophobicContact CD2-CH2 3.83Å; Y216-W247 AromaticContact CD2-CZ3 3.97Å; Y216-W247 HydrophobicContact CD2-CZ3 3.97Å; Y216-W247 AromaticContact CE1-CH2 3.32Å; Y216-W247 HydrophobicContact CE1-CH2 3.32Å; Y216-W247 AromaticContact CE1-CZ2 3.72Å; Y216-W247 HydrophobicContact CE1-CZ2 3.72Å; Y216-W247 AromaticContact CE1-CZ3 3.97Å; Y216-W247 HydrophobicContact CE1-CZ3 3.97Å; Y216-W247 AromaticContact CE2-CH2 3.78Å; Y216-W247 HydrophobicContact CE2-CH2 3.78Å; Y216-W247 AromaticContact CE2-CZ3 3.66Å; Y216-W247 HydrophobicContact CE2-CZ3 3.66Å; Y216-W247 AromaticContact CG-CH2 3.7Å; Y216-W247 HydrophobicContact CG-CH2 3.7Å; Y216-W247 HydrophobicContact CG-CZ3 4.32Å; Y216-W247 AromaticContact CZ-CH2 3.53Å; Y216-W247 AromaticContact CZ-CZ3 3.66Å; P245-W247 HydrophobicContact CB-CD2 4.3Å; P245-W247 HydrophobicContact CB-CG 4.32Å; P245-W247 PolarHBondContact O-N 2.92Å; P245-W247 VanDerWaalsContact O-N 3.07Å; W247-C249 PolarHBondContact O-N 3.46Å; W247-M255 HydrophobicContact CZ2-CE 4.32Å
248	A	98.2	Very high	98.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.			trans	-51.2	135.5	178.2	0	0	0	0	0	111.2	V244 P245 E253 R356 P360	V244-A248 HydrophobicContact CG1-CB 3.82Å; P245-A248 HydrophobicContact CB-CB 4.44Å; P245-A248 WeakPolarHBondContact O-CB 3.13Å; P245-A248 PolarHBondContact O-N 2.85Å; A248-E253 HydrophobicContact CB-CB 3.77Å; A248-E253 HydrophobicContact CB-CG 4.33Å; A248-R356 WeakPolarHBondContact O-CD 3.48Å; A248-R356 PolarHBondContact O-NH1 2.99Å; A248-P360 HydrophobicContact CB-CG 4.45Å
249	C	96.2	Very high	98.1	Very high	21 Å²	21	12.3 Å²	12.3	14%	0.142	5%	0.053	C	C	.	.			trans	-96.8	-45	176.8	-69.1	0	0	0	0	111.2	I20 W247 E253 M345 T354	I20-C249 VanDerWaalsContact CG1-SG 3.6Å; W247-C249 PolarHBondContact O-N 3.46Å; C249-E253 WeakPolarHBondContact CA-OE2 3.48Å; C249-E253 PolarHBondContact N-OE2 2.59Å; C249-M345 HydrophobicContact CB-CE 4.1Å; C249-M345 WeakPolarHBondContact O-CE 3.29Å; C249-T354 HydrophobicContact CB-CG2 3.74Å
250	W	97.1	Very high	97.9	Very high	64 Å²	64	15.9 Å²	15.9	24%	0.242	7%	0.068	C	C	.	.	S	Bend	trans	-79.8	152.3	179.9	-63.8	87.5	0	0	0	111.8	F252 E253 L332 P334 M345 R356	W250-F252 VanDerWaalsContact C-N 3.35Å; W250-F252 PolarHBondContact O-N 3.44Å; W250-E253 HydrophobicContact CB-CB 3.97Å; W250-E253 PolarHBondContact N-OE2 2.92Å; W250-E253 WeakPolarHBondContact O-CB 3.34Å; W250-E253 PolarHBondContact O-N 3.38Å; W250-L332 HydrophobicContact CD2-CB 4.46Å; W250-L332 HydrophobicContact CG-CB 4.12Å; W250-P334 HydrophobicContact CE3-CB 4.34Å; W250-P334 HydrophobicContact CZ3-CB 3.89Å; W250-M345 HydrophobicContact CD2-CE 4.12Å; W250-M345 HydrophobicContact CE3-CE 4.37Å; W250-M345 HydrophobicContact CG-CE 4.42Å; W250-M345 HydrophobicContact CH2-CG 3.87Å; W250-M345 HydrophobicContact CZ2-CG 4.02Å; W250-M345 HydrophobicContact CZ3-CG 4.24Å; W250-R356 PolarHBondContact O-NH1 2.94Å
251	P	96.1	Very high	97.9	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.032	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-50.5	-171.5	-28.5	36.2	0	0	0	113.4	L335 L336 K343 R356 A363	P251-L335 WeakPolarHBondContact CB-O 3.44Å; P251-L336 HydrophobicContact CB-CB 4.36Å; P251-L336 HydrophobicContact CB-CD1 3.64Å; P251-L336 HydrophobicContact CG-CB 3.91Å; P251-L336 HydrophobicContact CG-CD1 3.68Å; P251-L336 HydrophobicContact CG-CG 4.31Å; P251-K343 HydrophobicContact CG-CB 3.71Å; P251-K343 HydrophobicContact CG-CG 4.33Å; P251-R356 PolarHBondContact O-NH2 3.04Å; P251-A363 VanDerWaalsContact O-CB 3.32Å; P251-A363 WeakPolarHBondContact O-CB 3.16Å
252	F	98	Very high	97.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	37	178.8	-57.9	-77.7	0	0	0	110.9	W250 T254 Y288 L291 F292 F296 P333 L335 L336 L358 A363 M366 L367	W250-F252 VanDerWaalsContact C-N 3.35Å; W250-F252 PolarHBondContact O-N 3.44Å; F252-T254 PolarHBondContact O-N 2.9Å; F252-Y288 HydrophobicContact CB-CE1 4.01Å; F252-Y288 WeakPolarHBondContact O-CE1 3.48Å; F252-Y288 PolarHBondContact O-OH 3.44Å; F252-L291 HydrophobicContact CD1-CD2 3.65Å; F252-L291 HydrophobicContact CD2-CD2 3.69Å; F252-L291 HydrophobicContact CE1-CD1 4.43Å; F252-L291 HydrophobicContact CE1-CD2 3.61Å; F252-L291 HydrophobicContact CE2-CD2 3.66Å; F252-L291 HydrophobicContact CG-CD2 3.7Å; F252-L291 HydrophobicContact CZ-CD2 3.63Å; F252-F292 AromaticContact CE2-CE2 3.95Å; F252-F292 HydrophobicContact CE2-CE2 3.95Å; F252-F292 AromaticContact CE2-CZ 3.81Å; F252-F292 HydrophobicContact CE2-CZ 3.81Å; F252-F292 HydrophobicContact CZ-CZ 4.05Å; F252-F296 HydrophobicContact CB-CZ 4.43Å; F252-F296 AromaticContact CD2-CZ 3.98Å; F252-F296 HydrophobicContact CD2-CZ 3.98Å; F252-F296 HydrophobicContact CG-CZ 4.44Å; F252-P333 HydrophobicContact CB-CG 3.9Å; F252-P333 VanDerWaalsContact O-CG 3.23Å; F252-P333 WeakPolarHBondContact O-CG 3.28Å; F252-L335 WeakPolarHBondContact CD2-O 3.23Å; F252-L336 WeakPolarHBondContact CE2-O 3.28Å; F252-L358 HydrophobicContact CD1-CD2 4.32Å; F252-L358 HydrophobicContact CE1-CD2 3.63Å; F252-L358 HydrophobicContact CE2-CD2 4.42Å; F252-L358 HydrophobicContact CZ-CD2 3.68Å; F252-A363 HydrophobicContact CD1-CB 3.91Å; F252-A363 HydrophobicContact CE1-CB 4.21Å; F252-M366 HydrophobicContact CE1-CB 4.27Å; F252-M366 HydrophobicContact CE1-CE 4Å; F252-M366 HydrophobicContact CE1-SD 3.9Å; F252-M366 HydrophobicContact CZ-CE 3.81Å; F252-M366 HydrophobicContact CZ-SD 4.12Å; F252-L367 HydrophobicContact CB-CD1 4.34Å; F252-L367 HydrophobicContact CD1-CD1 4.34Å; F252-L367 HydrophobicContact CD1-CG 4.22Å
253	E	98.7	Very high	97.8	Very high	9 Å²	9	22.9 Å²	22.9	4%	0.042	10%	0.097	C	C	.	.			trans	-54.7	136.5	175.3	-169.9	169.3	130.1	0	0	111.4	V244 A248 C249 W250 M330 Y331 L332	V244-E253 WeakPolarHBondContact CA-O 3.24Å; V244-E253 WeakPolarHBondContact CG1-O 3.25Å; A248-E253 HydrophobicContact CB-CB 3.77Å; A248-E253 HydrophobicContact CB-CG 4.33Å; C249-E253 WeakPolarHBondContact CA-OE2 3.48Å; C249-E253 PolarHBondContact N-OE2 2.59Å; W250-E253 HydrophobicContact CB-CB 3.97Å; W250-E253 PolarHBondContact N-OE2 2.92Å; W250-E253 WeakPolarHBondContact O-CB 3.34Å; W250-E253 PolarHBondContact O-N 3.38Å; E253-M330 HydrophobicContact CG-CE 3.95Å; E253-M330 WeakPolarHBondContact OE1-CE 3.5Å; E253-Y331 WeakPolarHBondContact CA-O 3.47Å; E253-Y331 WeakPolarHBondContact CG-O 3.44Å; E253-L332 HydrophobicContact CG-CD2 3.91Å
254	T	98.9	Very high	97.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148.3	172.9	61.7	0	0	0	0	112.7	I234 V242 I243 V244 F252 L284 Y288 M330 Y331 L367	I234-T254 HydrophobicContact CD1-CG2 3.33Å; V242-T254 HydrophobicContact CG1-CG2 4.41Å; I243-T254 CarbonylContact O-C 3.53Å; I243-T254 WeakPolarHBondContact O-CA 3.43Å; I243-T254 WeakPolarHBondContact O-CB 3.27Å; V244-T254 HydrophobicContact CG2-CG2 4.33Å; F252-T254 PolarHBondContact O-N 2.9Å; T254-L284 HydrophobicContact CG2-CD1 4.06Å; T254-Y288 WeakPolarHBondContact CB-OH 3.21Å; T254-Y288 HydrophobicContact CG2-CE1 4.48Å; T254-Y288 WeakPolarHBondContact CG2-OH 3.31Å; T254-Y288 PolarHBondContact OG1-OH 3.11Å; T254-M330 CarbonylContact O-C 3.53Å; T254-Y331 PolarHBondContact N-O 2.95Å; T254-Y331 VanDerWaalsContact N-O 3.11Å; T254-Y331 PolarHBondContact O-N 3.33Å; T254-Y331 WeakPolarHBondContact OG1-CB 3.25Å; T254-L367 HydrophobicContact CG2-CD1 4.07Å
255	M	98.9	Very high	97.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.8	169.2	-175.6	-173.6	-71.3	0	0	109.4	L15 L213 V242 I243 P245 W247 L257 H328 A329 M330	L15-M255 HydrophobicContact CD1-CE 3.84Å; L213-M255 HydrophobicContact CD2-CE 4.15Å; L213-M255 HydrophobicContact CD2-SD 4.06Å; V242-M255 WeakPolarHBondContact CA-O 3.21Å; I243-M255 HydrophobicContact CD1-SD 4.49Å; I243-M255 HydrophobicContact CG1-CB 4.05Å; I243-M255 PolarHBondContact N-O 2.93Å; I243-M255 PolarHBondContact O-N 3.29Å; P245-M255 HydrophobicContact CG-CB 3.79Å; P245-M255 HydrophobicContact CG-CE 4.22Å; W247-M255 HydrophobicContact CZ2-CE 4.32Å; M255-L257 HydrophobicContact CG-CD2 4.08Å; M255-L257 HydrophobicContact SD-CD1 3.9Å; M255-L257 HydrophobicContact SD-CD2 4.13Å; M255-L257 HydrophobicContact SD-CG 4.46Å; M255-H328 HydrophobicContact CG-CB 4.18Å; M255-H328 HydrophobicContact SD-CB 4.45Å; M255-A329 CarbonylContact C-O 3.57Å; M255-A329 VanDerWaalsContact CA-O 3.25Å; M255-A329 WeakPolarHBondContact CA-O 3.13Å; M255-M330 HydrophobicContact CB-SD 3.71Å; M255-M330 HydrophobicContact CE-CE 4.33Å; M255-M330 HydrophobicContact CE-SD 3.48Å; M255-M330 WeakPolarHBondContact CE-SD 3.44Å; M255-M330 HydrophobicContact CG-SD 3.71Å; M255-M330 HydrophobicContact SD-SD 4.44Å
256	I	98.9	Very high	97.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.3	167.2	-51.5	-171.5	0	0	0	107.6	W240 L241 V242 L277 V280 M281 L284 H328 A329 Y331	W240-I256 HydrophobicContact CB-CG2 4.45Å; W240-I256 HydrophobicContact CD2-CG2 4.35Å; W240-I256 HydrophobicContact CE3-CG2 3.68Å; W240-I256 HydrophobicContact CZ3-CG2 4.28Å; L241-I256 WeakPolarHBondContact O-CA 3.35Å; V242-I256 HydrophobicContact CG1-CG1 4.33Å; V242-I256 HydrophobicContact CG2-CD1 4.38Å; V242-I256 HydrophobicContact CG2-CG1 3.98Å; V242-I256 HydrophobicContact CG2-CG2 4.33Å; I256-L277 HydrophobicContact CG2-CD1 4.13Å; I256-V280 HydrophobicContact CG2-CG1 4.34Å; I256-M281 HydrophobicContact CD1-CG 4.09Å; I256-L284 HydrophobicContact CD1-CD2 3.84Å; I256-L284 HydrophobicContact CG1-CD2 4.11Å; I256-H328 CarbonylContact O-C 3.53Å; I256-H328 WeakPolarHBondContact O-CA 3.21Å; I256-H328 WeakPolarHBondContact O-CB 3.42Å; I256-A329 HydrophobicContact CB-CB 4.26Å; I256-A329 PolarHBondContact N-O 3.24Å; I256-A329 PolarHBondContact O-N 3.03Å; I256-Y331 HydrophobicContact CD1-CD2 4.41Å; I256-Y331 HydrophobicContact CD1-CE2 3.58Å; I256-Y331 HydrophobicContact CG1-CD2 4.39Å; I256-Y331 HydrophobicContact CG1-CE2 3.98Å
257	L	98.8	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	148.5	178.6	68.3	173.7	0	0	0	112.5	L213 A217 L241 I243 M255 H328	L213-L257 HydrophobicContact CB-CD1 4.11Å; L213-L257 WeakPolarHBondContact O-CD1 3.21Å; A217-L257 HydrophobicContact CB-CD1 3.74Å; A217-L257 HydrophobicContact CB-CG 4.08Å; L241-L257 HydrophobicContact CB-CD2 4.2Å; L241-L257 PolarHBondContact N-O 3.19Å; L241-L257 PolarHBondContact O-N 3.13Å; I243-L257 HydrophobicContact CD1-CD2 3.92Å; I243-L257 HydrophobicContact CG1-CD2 3.99Å; M255-L257 HydrophobicContact CG-CD2 4.08Å; M255-L257 HydrophobicContact SD-CD1 3.9Å; M255-L257 HydrophobicContact SD-CD2 4.13Å; M255-L257 HydrophobicContact SD-CG 4.46Å; L257-H328 HydrophobicContact CB-CB 3.92Å
258	P	98.4	Very high	97.8	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.019	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	137.2	167.5	-19.6	33.3	0	0	0	110.7	H239 W240 I263 Q326 L327	H239-P258 WeakPolarHBondContact O-CA 3.05Å; W240-P258 HydrophobicContact CE3-CG 4Å; W240-P258 HydrophobicContact CH2-CG 4.04Å; W240-P258 HydrophobicContact CZ3-CG 3.64Å; P258-I263 HydrophobicContact CB-CD1 3.92Å; P258-I263 HydrophobicContact CB-CG1 4.3Å; P258-I263 HydrophobicContact CG-CB 4.42Å; P258-I263 HydrophobicContact CG-CD1 3.63Å; P258-I263 HydrophobicContact CG-CG1 4.09Å; P258-Q326 VanDerWaalsContact CD-NE2 3.34Å; P258-Q326 VanDerWaalsContact CG-NE2 3.32Å; P258-L327 WeakPolarHBondContact CD-O 3.43Å
259	H	96.5	Very high	97.9	Very high	7 Å²	7	22.9 Å²	22.9	3%	0.032	10%	0.102	C	C	.	.	S	Bend	trans	-111.3	2.1	178.9	64.6	102.1	0	0	0	114.5	A217 K221 S237 H239 W240 L241	A217-H259 HydrophobicContact CB-CB 4.05Å; K221-H259 PolarHBondContact NZ-CE1 3.1Å; K221-H259 VanDerWaalsContact NZ-CE1 3.32Å; K221-H259 PolarHBondContact NZ-ND1 3.02Å; S237-H259 PolarHBondContact O-NE2 3.44Å; H239-H259 PolarHBondContact O-CD2 3.01Å; H239-H259 VanDerWaalsContact O-CD2 3.27Å; H239-H259 PolarHBondContact O-N 2.73Å; W240-H259 PolarHBondContact O-CD2 2.85Å; W240-H259 PolarHBondContact O-NE2 2.95Å; L241-H259 HydrophobicContact CB-CB 4.11Å
260	K	93.7	Very high	98	Very high	118 Å²	118	24.9 Å²	24.9	51%	0.513	11%	0.114	S	C	.	.	S	Bend	trans	-124.8	-56.8	-177.3	-67.6	-179.8	178.8	168.1	0	112.1	T238	T238-K260 WeakPolarHBondContact O-CD 3.38Å; T238-K260 WeakPolarHBondContact O-CE 3.42Å; T238-K260 PolarHBondContact O-NZ 2.77Å
261	R	97.6	Very high	98	Very high	78 Å²	78	26.3 Å²	26.3	29%	0.294	12%	0.123	S	C	.	.	S	Bend	trans	-93.6	138.5	-175.6	-166.4	169.9	70.2	91.3	-14	110	I263 E268 E273	R261-I263 HydrophobicContact CB-CD1 4.31Å; R261-I263 HydrophobicContact CB-CG1 4.09Å; R261-I263 HydrophobicContact CG-CG1 4.12Å; R261-E268 PolarHBondContact NH2-O 2.99Å; R261-E273 IonicContact CZ-OE1 3.2Å; R261-E273 IonicContact CZ-OE2 3.62Å; R261-E273 IonicContact NE-OE1 2.89Å; R261-E273 PolarHBondContact NE-OE1 2.75Å; R261-E273 IonicContact NE-OE2 2.66Å; R261-E273 PolarHBondContact NE-OE2 2.85Å; R261-E273 IonicContact NH2-OE1 3.95Å; R261-E273 IonicContact NH2-OE2 3.44Å; R261-E273 PolarHBondContact NH2-OE2 3.17Å
262	H	98.4	Very high	98.2	Very high	70 Å²	70	31.6 Å²	31.6	32%	0.324	15%	0.151	S	C	.	.			trans	-76.9	118.2	167.6	-174.7	-159.6	0	0	0	108.8	L214 L264 K323 W325 Q326	L214-H262 HydrophobicContact CD2-CB 4.22Å; H262-L264 WeakPolarHBondContact NE2-CD2 3.5Å; H262-K323 PolarHBondContact CE1-O 3.03Å; H262-K323 PolarHBondContact NE2-O 2.83Å; H262-W325 PolarHBondContact CD2-O 3.36Å; H262-W325 PolarHBondContact NE2-O 3.01Å; H262-Q326 PolarHBondContact CD2-OE1 2.79Å
263	I	98.6	Very high	98.2	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	15%	0.153	C	C	.	.			trans	-130.8	126.6	-174.2	-45.8	-174.3	0	0	0	107.6	P258 R261 E268 L269 L327	P258-I263 HydrophobicContact CB-CD1 3.92Å; P258-I263 HydrophobicContact CB-CG1 4.3Å; P258-I263 HydrophobicContact CG-CB 4.42Å; P258-I263 HydrophobicContact CG-CD1 3.63Å; P258-I263 HydrophobicContact CG-CG1 4.09Å; R261-I263 HydrophobicContact CB-CD1 4.31Å; R261-I263 HydrophobicContact CB-CG1 4.09Å; R261-I263 HydrophobicContact CG-CG1 4.12Å; I263-E268 HydrophobicContact CG2-CB 4.12Å; I263-L269 HydrophobicContact CD1-CD2 3.67Å; I263-L269 HydrophobicContact CG2-CD2 4.16Å; I263-L327 HydrophobicContact CB-CB 4.17Å; I263-L327 HydrophobicContact CB-CD2 4.41Å; I263-L327 HydrophobicContact CG2-CB 4.27Å; I263-L327 HydrophobicContact CG2-CD2 3.85Å; I263-L327 WeakPolarHBondContact O-CB 3.38Å; I263-L327 PolarHBondContact O-N 3.43Å
264	L	98.4	Very high	98.2	Very high	9 Å²	9	32.5 Å²	32.5	5%	0.047	16%	0.155	C	C	.	.			trans	-96.2	-44.3	-177.2	-63.4	-175.1	0	0	0	111.7	H262 E268 Q304 A305 K319 Y322 W325	H262-L264 WeakPolarHBondContact NE2-CD2 3.5Å; L264-E268 PolarHBondContact N-OE2 3.49Å; L264-Q304 WeakPolarHBondContact O-CA 3.4Å; L264-Q304 WeakPolarHBondContact O-CB 3.47Å; L264-A305 HydrophobicContact CB-CB 3.95Å; L264-A305 HydrophobicContact CD2-CB 4.48Å; L264-A305 PolarHBondContact O-N 3.27Å; L264-K319 HydrophobicContact CD1-CB 4.3Å; L264-K319 HydrophobicContact CD1-CG 4.03Å; L264-Y322 WeakPolarHBondContact CD2-O 3.41Å; L264-W325 HydrophobicContact CD2-CB 4.03Å; L264-W325 VanDerWaalsContact CD2-O 3.27Å; L264-W325 WeakPolarHBondContact CD2-O 3.42Å
265	W	98.4	Very high	98.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-127.5	151.6	-175.8	-57.8	-77.9	0	0	0	112.1	T150 F154 H267 E268 A305 P306 L315 L318 K319 Y322	T150-W265 HydrophobicContact CG2-CB 4.26Å; F154-W265 HydrophobicContact CD2-CD2 4.37Å; F154-W265 AromaticContact CE2-CD2 3.9Å; F154-W265 HydrophobicContact CE2-CD2 3.9Å; F154-W265 AromaticContact CE2-CE2 3.56Å; F154-W265 HydrophobicContact CE2-CE3 4.25Å; F154-W265 HydrophobicContact CE2-CH2 4.08Å; F154-W265 AromaticContact CE2-CZ2 3.68Å; F154-W265 HydrophobicContact CE2-CZ2 3.68Å; F154-W265 HydrophobicContact CE2-CZ3 4.33Å; F154-W265 AromaticContact CE2-NE1 3.94Å; F154-W265 HydrophobicContact CZ-CH2 4.32Å; F154-W265 HydrophobicContact CZ-CZ2 4.36Å; F154-W265 HydrophobicContact CZ-CZ3 4.43Å; W265-H267 VanDerWaalsContact CB-CE1 3.46Å; W265-H267 WeakPolarHBondContact CB-CE1 3.49Å; W265-H267 VanDerWaalsContact CB-ND1 3.34Å; W265-H267 WeakPolarHBondContact CB-ND1 3.2Å; W265-H267 AromaticContact CG-CE1 3.8Å; W265-H267 PolarHBondContact O-N 2.82Å; W265-E268 HydrophobicContact CB-CG 4.32Å; W265-E268 HydrophobicContact CE3-CG 4.25Å; W265-E268 WeakPolarHBondContact O-CB 3.2Å; W265-E268 PolarHBondContact O-N 3.47Å; W265-A305 VanDerWaalsContact CD1-O 3.25Å; W265-A305 HydrophobicContact CD2-CB 4.42Å; W265-A305 HydrophobicContact CZ2-CB 3.82Å; W265-A305 PolarHBondContact NE1-O 3.05Å; W265-P306 PolarHBondContact NE1-O 3.23Å; W265-L315 HydrophobicContact CZ3-CD1 4.3Å; W265-L318 HydrophobicContact CH2-CB 4.03Å; W265-K319 HydrophobicContact CH2-CG 4.37Å; W265-K319 HydrophobicContact CZ3-CG 3.98Å; W265-Y322 HydrophobicContact CZ2-CD2 4.03Å
266	L	98.7	Very high	98.2	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-57.5	-36.8	178.9	-81.2	165	0	0	0	113.3	W146 C147 T150 I164 E268 L269 W302 L327	W146-L266 HydrophobicContact CB-CD1 4.33Å; C147-L266 PolarHBondContact SG-O 3.34Å; T150-L266 HydrophobicContact CG2-CB 4.35Å; I164-L266 HydrophobicContact CD1-CD1 3.6Å; L266-E268 PolarHBondContact O-N 2.95Å; L266-E268 VanDerWaalsContact O-N 3.12Å; L266-L269 HydrophobicContact CD2-CD1 3.98Å; L266-L269 WeakPolarHBondContact O-CB 3.21Å; L266-L269 VanDerWaalsContact O-CG 3.23Å; L266-L269 WeakPolarHBondContact O-CG 3.25Å; L266-L269 PolarHBondContact O-N 2.85Å; L266-L269 VanDerWaalsContact O-N 3.12Å; L266-W302 HydrophobicContact CD1-CB 4.07Å; L266-W302 HydrophobicContact CD1-CD2 4.22Å; L266-W302 HydrophobicContact CD1-CG 3.9Å; L266-W302 HydrophobicContact CD2-CD2 3.95Å; L266-W302 HydrophobicContact CD2-CE3 3.96Å; L266-W302 HydrophobicContact CD2-CG 4.49Å; L266-W302 HydrophobicContact CD2-CH2 4.43Å; L266-W302 HydrophobicContact CD2-CZ2 4.43Å; L266-W302 HydrophobicContact CD2-CZ3 4.21Å; L266-L327 HydrophobicContact CD2-CD1 3.99Å; L266-L327 HydrophobicContact CD2-CD2 3.95Å; L266-L327 HydrophobicContact CG-CD1 3.81Å; L266-L327 HydrophobicContact CG-CD2 4.38Å
267	H	97.9	Very high	98.2	Very high	47 Å²	47	40 Å²	40	22%	0.218	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-69.6	-6.6	-179.6	73.3	-83.6	0	0	0	114	C147 T150 E151 F154 W265	C147-H267 WeakPolarHBondContact O-CB 3.22Å; T150-H267 HydrophobicContact CG2-CB 4.35Å; T150-H267 WeakPolarHBondContact CG2-ND1 3.27Å; E151-H267 HydrophobicContact CB-CB 3.81Å; F154-H267 AromaticContact CD2-CE1 3.94Å; F154-H267 AromaticContact CG-CE1 3.85Å; W265-H267 VanDerWaalsContact CB-CE1 3.46Å; W265-H267 WeakPolarHBondContact CB-CE1 3.49Å; W265-H267 VanDerWaalsContact CB-ND1 3.34Å; W265-H267 WeakPolarHBondContact CB-ND1 3.2Å; W265-H267 AromaticContact CG-CE1 3.8Å; W265-H267 PolarHBondContact O-N 2.82Å
268	E	98.2	Very high	98.2	Very high	39 Å²	39	40.1 Å²	40.1	18%	0.182	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-86.7	-6.7	173.1	-58.3	-171.3	137.9	0	0	113.3	R261 I263 L264 W265 L266 T270 K319	R261-E268 PolarHBondContact NH2-O 2.99Å; I263-E268 HydrophobicContact CG2-CB 4.12Å; L264-E268 PolarHBondContact N-OE2 3.49Å; W265-E268 HydrophobicContact CB-CG 4.32Å; W265-E268 HydrophobicContact CE3-CG 4.25Å; W265-E268 WeakPolarHBondContact O-CB 3.2Å; W265-E268 PolarHBondContact O-N 3.47Å; L266-E268 PolarHBondContact O-N 2.95Å; L266-E268 VanDerWaalsContact O-N 3.12Å; E268-T270 PolarHBondContact O-N 3.27Å; E268-K319 WeakPolarHBondContact OE1-CE 3.35Å; E268-K319 IonicContact OE1-NZ 2.99Å; E268-K319 PolarHBondContact OE1-NZ 2.7Å
269	L	98.8	Very high	98.1	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.047	20%	0.198	C	C	.	.			trans	-61.6	134.5	179.1	-67.2	-179.9	0	0	0	111	W240 I263 L266 E273 K274 L277 L327	W240-L269 HydrophobicContact CH2-CD1 4.26Å; W240-L269 HydrophobicContact CH2-CD2 3.88Å; W240-L269 HydrophobicContact CZ2-CD1 4.01Å; W240-L269 HydrophobicContact CZ2-CD2 3.64Å; I263-L269 HydrophobicContact CD1-CD2 3.67Å; I263-L269 HydrophobicContact CG2-CD2 4.16Å; L266-L269 HydrophobicContact CD2-CD1 3.98Å; L266-L269 WeakPolarHBondContact O-CB 3.21Å; L266-L269 VanDerWaalsContact O-CG 3.23Å; L266-L269 WeakPolarHBondContact O-CG 3.25Å; L266-L269 PolarHBondContact O-N 2.85Å; L266-L269 VanDerWaalsContact O-N 3.12Å; L269-E273 HydrophobicContact CB-CB 4.5Å; L269-E273 HydrophobicContact CD2-CB 4.21Å; L269-K274 HydrophobicContact CB-CG 3.79Å; L269-K274 HydrophobicContact CD1-CG 4.23Å; L269-K274 VanDerWaalsContact O-CE 3.25Å; L269-K274 WeakPolarHBondContact O-CE 3.25Å; L269-L277 HydrophobicContact CD1-CD2 4.12Å; L269-L327 HydrophobicContact CD2-CD2 4.04Å; L269-L327 HydrophobicContact CG-CD2 4.41Å
270	T	98.7	Very high	98.2	Very high	63 Å²	63	41.5 Å²	41.5	39%	0.387	20%	0.197	S	C	.	.			trans	-74.3	163.9	169.7	71.1	0	0	0	0	110.3	E268 D272 E273 K274	E268-T270 PolarHBondContact O-N 3.27Å; T270-D272 VanDerWaalsContact C-N 3.33Å; T270-D272 PolarHBondContact O-N 3.47Å; T270-E273 PolarHBondContact N-OE2 3.1Å; T270-E273 PolarHBondContact O-N 3.31Å; T270-E273 VanDerWaalsContact OG1-CG 3.31Å; T270-E273 WeakPolarHBondContact OG1-CG 3.33Å; T270-E273 PolarHBondContact OG1-N 3.44Å; T270-E273 PolarHBondContact OG1-OE2 3.43Å; T270-K274 WeakPolarHBondContact O-CG 3.31Å; T270-K274 PolarHBondContact O-N 3.06Å
271	E	98.5	Very high	98.5	Very high	95 Å²	95	36 Å²	36	44%	0.444	17%	0.173	S	C	.	.	H	α-helix	trans	-58	-46	176.3	-65.1	-55.5	117.2	0	0	111.6	E273 K274 Y275	E271-E273 VanDerWaalsContact C-N 3.27Å; E271-E273 PolarHBondContact O-N 3.47Å; E271-K274 WeakPolarHBondContact O-CB 3.49Å; E271-K274 PolarHBondContact O-N 3.39Å; E271-K274 IonicContact OE1-NZ 3.78Å; E271-K274 PolarHBondContact OE1-NZ 2.84Å; E271-Y275 HydrophobicContact CB-CE2 4.49Å; E271-Y275 WeakPolarHBondContact O-CD2 3.3Å; E271-Y275 PolarHBondContact O-N 3.4Å
272	D	98.5	Very high	98.5	Very high	115 Å²	115	34 Å²	34	62%	0.615	17%	0.167	S	C	*	.	H	α-helix	trans	-57.7	-39.8	177.7	-66.7	-22.8	0	0	0	112.3	T270 Y275 D276	T270-D272 VanDerWaalsContact C-N 3.33Å; T270-D272 PolarHBondContact O-N 3.47Å; D272-Y275 PolarHBondContact O-N 3.25Å; D272-D276 WeakPolarHBondContact O-CB 3.43Å; D272-D276 PolarHBondContact O-N 2.93Å
273	E	98.7	Very high	98.5	Very high	7 Å²	7	32.6 Å²	32.6	3%	0.033	16%	0.162	C	C	.	.	H	α-helix	trans	-69.2	-34.7	177.4	-71.5	168	160.7	0	0	112.4	H239 W240 R261 L269 T270 E271 L277	H239-E273 HydrophobicContact CB-CG 3.91Å; H239-E273 WeakPolarHBondContact ND1-CG 3.47Å; H239-E273 IonicContact ND1-OE1 3.5Å; W240-E273 PolarHBondContact NE1-O 3.07Å; R261-E273 IonicContact CZ-OE1 3.2Å; R261-E273 IonicContact CZ-OE2 3.62Å; R261-E273 IonicContact NE-OE1 2.89Å; R261-E273 PolarHBondContact NE-OE1 2.75Å; R261-E273 IonicContact NE-OE2 2.66Å; R261-E273 PolarHBondContact NE-OE2 2.85Å; R261-E273 IonicContact NH2-OE1 3.95Å; R261-E273 IonicContact NH2-OE2 3.44Å; R261-E273 PolarHBondContact NH2-OE2 3.17Å; L269-E273 HydrophobicContact CB-CB 4.5Å; L269-E273 HydrophobicContact CD2-CB 4.21Å; T270-E273 PolarHBondContact N-OE2 3.1Å; T270-E273 PolarHBondContact O-N 3.31Å; T270-E273 VanDerWaalsContact OG1-CG 3.31Å; T270-E273 WeakPolarHBondContact OG1-CG 3.33Å; T270-E273 PolarHBondContact OG1-N 3.44Å; T270-E273 PolarHBondContact OG1-OE2 3.43Å; E271-E273 VanDerWaalsContact C-N 3.27Å; E271-E273 PolarHBondContact O-N 3.47Å; E273-L277 WeakPolarHBondContact O-CB 3.26Å; E273-L277 PolarHBondContact O-N 2.85Å
274	K	98.8	Very high	98.5	Very high	21 Å²	21	32.5 Å²	32.5	9%	0.091	16%	0.162	C	C	.	.	H	α-helix	trans	-69.9	-42.4	174.9	-63.7	173.4	-164.3	167.6	0	111.7	L140 I143 N144 L269 T270 E271 L277 A278	L140-K274 HydrophobicContact CD1-CB 3.71Å; I143-K274 HydrophobicContact CG2-CB 3.99Å; I143-K274 HydrophobicContact CG2-CD 4.46Å; I143-K274 HydrophobicContact CG2-CG 3.88Å; N144-K274 VanDerWaalsContact OD1-CD 3.3Å; N144-K274 WeakPolarHBondContact OD1-CD 3.41Å; L269-K274 HydrophobicContact CB-CG 3.79Å; L269-K274 HydrophobicContact CD1-CG 4.23Å; L269-K274 VanDerWaalsContact O-CE 3.25Å; L269-K274 WeakPolarHBondContact O-CE 3.25Å; T270-K274 WeakPolarHBondContact O-CG 3.31Å; T270-K274 PolarHBondContact O-N 3.06Å; E271-K274 WeakPolarHBondContact O-CB 3.49Å; E271-K274 PolarHBondContact O-N 3.39Å; E271-K274 IonicContact OE1-NZ 3.78Å; E271-K274 PolarHBondContact OE1-NZ 2.84Å; K274-L277 PolarHBondContact O-N 3.03Å; K274-A278 PolarHBondContact O-N 2.79Å
275	Y	98.5	Very high	98.5	Very high	133 Å²	133	32.1 Å²	32.1	52%	0.522	16%	0.16	S	C	.	.	H	α-helix	trans	-61.4	-45.7	174.4	-83.2	-76.7	0	0	0	111.3	L140 E271 D272 L277 A278 S279	L140-Y275 HydrophobicContact CD1-CD1 4.42Å; L140-Y275 HydrophobicContact CD1-CG 4.39Å; L140-Y275 HydrophobicContact CD2-CD1 3.87Å; L140-Y275 HydrophobicContact CD2-CE1 3.3Å; L140-Y275 HydrophobicContact CD2-CE2 3.97Å; L140-Y275 HydrophobicContact CD2-CG 4.44Å; L140-Y275 WeakPolarHBondContact CD2-OH 3.28Å; L140-Y275 HydrophobicContact CG-CE1 4.47Å; E271-Y275 HydrophobicContact CB-CE2 4.49Å; E271-Y275 WeakPolarHBondContact O-CD2 3.3Å; E271-Y275 PolarHBondContact O-N 3.4Å; D272-Y275 PolarHBondContact O-N 3.25Å; Y275-L277 VanDerWaalsContact C-N 3.35Å; Y275-A278 PolarHBondContact O-N 3.47Å; Y275-S279 PolarHBondContact O-N 2.69Å
276	D	98.6	Very high	98.4	Very high	26 Å²	26	32.4 Å²	32.4	14%	0.139	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-39.3	177	-166.2	39.2	0	0	0	111.5	S237 T238 H239 D272 A278 S279 V280	S237-D276 VanDerWaalsContact CB-OD1 3.28Å; S237-D276 WeakPolarHBondContact CB-OD1 3.49Å; S237-D276 WeakPolarHBondContact CB-OD2 3.18Å; S237-D276 VanDerWaalsContact OG-CG 3.26Å; S237-D276 PolarHBondContact OG-OD1 3.33Å; S237-D276 PolarHBondContact OG-OD2 2.79Å; T238-D276 PolarHBondContact N-OD2 3.28Å; H239-D276 WeakPolarHBondContact CB-OD2 3.27Å; H239-D276 IonicContact CD2-OD2 2.7Å; H239-D276 IonicContact CG-OD2 3.28Å; H239-D276 PolarHBondContact N-OD2 3.45Å; D272-D276 WeakPolarHBondContact O-CB 3.43Å; D272-D276 PolarHBondContact O-N 2.93Å; D276-A278 PolarHBondContact O-N 3.41Å; D276-S279 WeakPolarHBondContact O-CB 3.07Å; D276-S279 PolarHBondContact O-N 2.58Å; D276-V280 WeakPolarHBondContact O-CB 3.15Å; D276-V280 VanDerWaalsContact O-CG2 3.27Å; D276-V280 WeakPolarHBondContact O-CG2 3.49Å; D276-V280 PolarHBondContact O-N 3.48Å
277	L	98.7	Very high	98.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-43	175	-179.1	57.8	0	0	0	111.9	I143 W240 I256 L269 E273 K274 Y275 S279 V280 M281 W302	I143-L277 HydrophobicContact CD1-CB 3.97Å; I143-L277 HydrophobicContact CD1-CD2 3.95Å; I143-L277 HydrophobicContact CD1-CG 3.77Å; I143-L277 HydrophobicContact CG1-CD2 4.13Å; I143-L277 HydrophobicContact CG1-CG 4.42Å; I143-L277 HydrophobicContact CG2-CD2 3.99Å; W240-L277 HydrophobicContact CD2-CB 4.46Å; W240-L277 HydrophobicContact CD2-CD1 3.95Å; W240-L277 HydrophobicContact CE3-CD1 4.16Å; W240-L277 HydrophobicContact CG-CD1 4.47Å; W240-L277 HydrophobicContact CH2-CD1 4.16Å; W240-L277 HydrophobicContact CH2-CD2 4.01Å; W240-L277 HydrophobicContact CZ2-CB 3.86Å; W240-L277 HydrophobicContact CZ2-CD1 3.99Å; W240-L277 HydrophobicContact CZ2-CD2 3.75Å; W240-L277 HydrophobicContact CZ2-CG 4.07Å; W240-L277 HydrophobicContact CZ3-CD1 4.24Å; I256-L277 HydrophobicContact CG2-CD1 4.13Å; L269-L277 HydrophobicContact CD1-CD2 4.12Å; E273-L277 WeakPolarHBondContact O-CB 3.26Å; E273-L277 PolarHBondContact O-N 2.85Å; K274-L277 PolarHBondContact O-N 3.03Å; Y275-L277 VanDerWaalsContact C-N 3.35Å; L277-S279 VanDerWaalsContact C-N 3.31Å; L277-S279 PolarHBondContact O-N 3.46Å; L277-V280 PolarHBondContact O-N 2.86Å; L277-M281 HydrophobicContact CD1-CG 3.86Å; L277-M281 HydrophobicContact CD1-SD 4Å; L277-M281 HydrophobicContact CD2-SD 4.4Å; L277-M281 HydrophobicContact CG-CG 4.23Å; L277-M281 HydrophobicContact CG-SD 3.86Å; L277-M281 WeakPolarHBondContact O-CB 3.29Å; L277-M281 WeakPolarHBondContact O-CG 3.45Å; L277-M281 PolarHBondContact O-N 3.33Å; L277-W302 HydrophobicContact CD1-CH2 3.78Å; L277-W302 HydrophobicContact CD1-CZ2 4.09Å; L277-W302 HydrophobicContact CD2-CH2 3.71Å; L277-W302 HydrophobicContact CD2-CZ2 3.72Å; L277-W302 HydrophobicContact CG-CH2 4.39Å; L277-W302 HydrophobicContact CG-CZ2 4.44Å
278	A	98.6	Very high	98.4	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-58.4	-44.8	177.4	0	0	0	0	0	111.5	I139 I143 K274 Y275 D276 Q282	I139-A278 HydrophobicContact CB-CB 4.13Å; I139-A278 HydrophobicContact CG2-CB 3.85Å; I143-A278 HydrophobicContact CD1-CB 3.77Å; K274-A278 PolarHBondContact O-N 2.79Å; Y275-A278 PolarHBondContact O-N 3.47Å; D276-A278 PolarHBondContact O-N 3.41Å; A278-Q282 WeakPolarHBondContact O-CB 3.48Å; A278-Q282 PolarHBondContact O-N 3.35Å
279	S	98.1	Very high	98.4	Very high	37 Å²	37	29.8 Å²	29.8	26%	0.259	15%	0.148	S	C	.	.	H	α-helix	trans	-62.7	-45.7	176.1	-178.9	0	0	0	0	112	Q136 Y275 D276 L277 Q282 N283	Q136-S279 PolarHBondContact NE2-OG 2.95Å; Y275-S279 PolarHBondContact O-N 2.69Å; D276-S279 WeakPolarHBondContact O-CB 3.07Å; D276-S279 PolarHBondContact O-N 2.58Å; L277-S279 VanDerWaalsContact C-N 3.31Å; L277-S279 PolarHBondContact O-N 3.46Å; S279-Q282 PolarHBondContact O-N 2.87Å; S279-N283 VanDerWaalsContact O-CB 3.29Å; S279-N283 WeakPolarHBondContact O-CB 3.19Å; S279-N283 PolarHBondContact O-N 2.93Å
280	V	98.5	Very high	98.3	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.018	15%	0.148	C	C	.	.	H	α-helix	trans	-66.7	-43.9	-178.5	168.7	0	0	0	0	112	I235 S237 W240 V242 I256 D276 L277 N283 L284	I235-V280 HydrophobicContact CG2-CG1 4.49Å; I235-V280 HydrophobicContact CG2-CG2 4.22Å; S237-V280 VanDerWaalsContact CB-CG2 3.5Å; S237-V280 WeakPolarHBondContact OG-CG2 3.06Å; W240-V280 HydrophobicContact CB-CG1 4.26Å; W240-V280 HydrophobicContact CB-CG2 4.15Å; V242-V280 HydrophobicContact CG2-CG1 3.23Å; I256-V280 HydrophobicContact CG2-CG1 4.34Å; D276-V280 WeakPolarHBondContact O-CB 3.15Å; D276-V280 VanDerWaalsContact O-CG2 3.27Å; D276-V280 WeakPolarHBondContact O-CG2 3.49Å; D276-V280 PolarHBondContact O-N 3.48Å; L277-V280 PolarHBondContact O-N 2.86Å; V280-N283 PolarHBondContact O-N 3.24Å; V280-L284 WeakPolarHBondContact O-CB 3.37Å; V280-L284 PolarHBondContact O-N 3.29Å
281	M	98.5	Very high	98.2	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-48.9	175	-75.1	176.2	61.8	0	0	111	L131 I143 W146 I256 L277 N283 L284 L285	L131-M281 HydrophobicContact CD1-CE 4.31Å; I143-M281 HydrophobicContact CD1-SD 4.14Å; I143-M281 HydrophobicContact CG1-SD 4.24Å; W146-M281 HydrophobicContact CH2-CE 3.54Å; W146-M281 HydrophobicContact CH2-SD 4.45Å; W146-M281 HydrophobicContact CZ3-CE 3.66Å; W146-M281 HydrophobicContact CZ3-SD 3.96Å; I256-M281 HydrophobicContact CD1-CG 4.09Å; L277-M281 HydrophobicContact CD1-CG 3.86Å; L277-M281 HydrophobicContact CD1-SD 4Å; L277-M281 HydrophobicContact CD2-SD 4.4Å; L277-M281 HydrophobicContact CG-CG 4.23Å; L277-M281 HydrophobicContact CG-SD 3.86Å; L277-M281 WeakPolarHBondContact O-CB 3.29Å; L277-M281 WeakPolarHBondContact O-CG 3.45Å; L277-M281 PolarHBondContact O-N 3.33Å; M281-N283 VanDerWaalsContact C-N 3.32Å; M281-N283 PolarHBondContact O-N 2.96Å; M281-L284 PolarHBondContact O-N 3.26Å; M281-L285 WeakPolarHBondContact O-CB 3.38Å; M281-L285 VanDerWaalsContact O-CG 3.24Å; M281-L285 WeakPolarHBondContact O-CG 3.37Å; M281-L285 PolarHBondContact O-N 3.24Å
282	Q	98	Very high	98	Very high	36 Å²	36	24.9 Å²	24.9	17%	0.168	12%	0.121	C	C	.	.	H	α-helix	trans	-57.5	-47.4	178	-166.5	-170.9	34.3	0	0	111.2	M134 I139 A278 S279 L284 L285 V286	M134-Q282 PolarHBondContact O-NE2 3.22Å; I139-Q282 HydrophobicContact CD1-CB 3.6Å; I139-Q282 HydrophobicContact CD1-CG 3.83Å; A278-Q282 WeakPolarHBondContact O-CB 3.48Å; A278-Q282 PolarHBondContact O-N 3.35Å; S279-Q282 PolarHBondContact O-N 2.87Å; Q282-L284 PolarHBondContact O-N 2.63Å; Q282-L285 PolarHBondContact O-N 3.05Å; Q282-V286 HydrophobicContact CG-CG2 4.49Å; Q282-V286 WeakPolarHBondContact O-CB 3.41Å; Q282-V286 VanDerWaalsContact O-CG2 3.25Å; Q282-V286 WeakPolarHBondContact O-CG2 3.32Å; Q282-V286 PolarHBondContact O-N 2.84Å
283	N	98.1	Very high	97.8	Very high	41 Å²	41	22.3 Å²	22.3	22%	0.219	11%	0.108	C	C	.	.	H	α-helix	trans	-59.8	-48.7	179.9	-172.5	-38	0	0	0	111.4	I235 S279 V280 M281 L285 V286 R287	I235-N283 HydrophobicContact CD1-CB 3.82Å; I235-N283 WeakPolarHBondContact CD1-OD1 3.47Å; S279-N283 VanDerWaalsContact O-CB 3.29Å; S279-N283 WeakPolarHBondContact O-CB 3.19Å; S279-N283 PolarHBondContact O-N 2.93Å; V280-N283 PolarHBondContact O-N 3.24Å; M281-N283 VanDerWaalsContact C-N 3.32Å; M281-N283 PolarHBondContact O-N 2.96Å; N283-L285 PolarHBondContact O-N 3.24Å; N283-V286 PolarHBondContact O-N 2.92Å; N283-R287 VanDerWaalsContact O-CG 3.28Å; N283-R287 WeakPolarHBondContact O-CG 3.23Å; N283-R287 PolarHBondContact O-N 2.66Å; N283-R287 WeakPolarHBondContact OD1-CD 3.41Å; N283-R287 PolarHBondContact OD1-NE 3.48Å
284	L	98.6	Very high	97.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.1	-49.5	176.3	172.7	60.6	0	0	0	111.8	I235 V242 T254 I256 V280 M281 Q282 V286 R287 Y288 Y331	I235-L284 HydrophobicContact CD1-CB 4.08Å; V242-L284 HydrophobicContact CG1-CD1 4Å; V242-L284 HydrophobicContact CG1-CD2 3.98Å; V242-L284 HydrophobicContact CG1-CG 4.42Å; T254-L284 HydrophobicContact CG2-CD1 4.06Å; I256-L284 HydrophobicContact CD1-CD2 3.84Å; I256-L284 HydrophobicContact CG1-CD2 4.11Å; V280-L284 WeakPolarHBondContact O-CB 3.37Å; V280-L284 PolarHBondContact O-N 3.29Å; M281-L284 PolarHBondContact O-N 3.26Å; Q282-L284 PolarHBondContact O-N 2.63Å; L284-V286 VanDerWaalsContact C-N 3.32Å; L284-V286 PolarHBondContact O-N 2.82Å; L284-R287 WeakPolarHBondContact O-CB 3.49Å; L284-R287 PolarHBondContact O-N 2.79Å; L284-R287 VanDerWaalsContact O-N 3.13Å; L284-Y288 HydrophobicContact CD1-CD2 4.09Å; L284-Y288 HydrophobicContact CD1-CE1 4.43Å; L284-Y288 HydrophobicContact CD1-CE2 3.69Å; L284-Y288 HydrophobicContact CD2-CE2 4.03Å; L284-Y288 HydrophobicContact CG-CD2 4.02Å; L284-Y288 HydrophobicContact CG-CE2 3.72Å; L284-Y288 PolarHBondContact O-N 3.15Å; L284-Y331 HydrophobicContact CD2-CD2 3.91Å; L284-Y331 HydrophobicContact CD2-CE2 3.92Å; L284-Y331 HydrophobicContact CD2-CG 4.29Å
285	L	98.3	Very high	97.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67.3	-33.9	-176	-66.7	-179	0	0	0	112.5	L131 A132 M281 Q282 N283 Y288 D289 Y298 Y331	L131-L285 HydrophobicContact CB-CD1 3.35Å; L131-L285 HydrophobicContact CD1-CD1 4.07Å; L131-L285 HydrophobicContact CG-CD1 4.37Å; A132-L285 HydrophobicContact CB-CB 3.84Å; M281-L285 WeakPolarHBondContact O-CB 3.38Å; M281-L285 VanDerWaalsContact O-CG 3.24Å; M281-L285 WeakPolarHBondContact O-CG 3.37Å; M281-L285 PolarHBondContact O-N 3.24Å; Q282-L285 PolarHBondContact O-N 3.05Å; N283-L285 PolarHBondContact O-N 3.24Å; L285-Y288 HydrophobicContact CD2-CD2 4Å; L285-Y288 PolarHBondContact O-N 3.03Å; L285-D289 PolarHBondContact O-N 3.12Å; L285-Y298 HydrophobicContact CD2-CD1 4.29Å; L285-Y298 HydrophobicContact CD2-CE1 3.4Å; L285-Y331 HydrophobicContact CD2-CD1 4.23Å; L285-Y331 HydrophobicContact CD2-CE1 3.68Å
286	V	98	Very high	97.2	Very high	7 Å²	7	17.2 Å²	17.2	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-64.9	-42.4	171.3	167.8	0	0	0	0	111.3	A132 Q282 N283 L284 Y288 D289 N290 T372 H374	A132-V286 HydrophobicContact CB-CG2 4.31Å; A132-V286 WeakPolarHBondContact O-CG2 3.23Å; Q282-V286 HydrophobicContact CG-CG2 4.49Å; Q282-V286 WeakPolarHBondContact O-CB 3.41Å; Q282-V286 VanDerWaalsContact O-CG2 3.25Å; Q282-V286 WeakPolarHBondContact O-CG2 3.32Å; Q282-V286 PolarHBondContact O-N 2.84Å; N283-V286 PolarHBondContact O-N 2.92Å; L284-V286 VanDerWaalsContact C-N 3.32Å; L284-V286 PolarHBondContact O-N 2.82Å; V286-Y288 VanDerWaalsContact C-N 3.33Å; V286-Y288 PolarHBondContact O-N 3.38Å; V286-D289 PolarHBondContact O-N 3Å; V286-N290 WeakPolarHBondContact CG1-ND2 3.47Å; V286-N290 WeakPolarHBondContact O-CB 3.38Å; V286-N290 PolarHBondContact O-N 3.43Å; V286-N290 PolarHBondContact O-ND2 3.18Å; V286-T372 WeakPolarHBondContact CG1-O 3.39Å; V286-H374 HydrophobicContact CG1-CB 4.1Å; V286-H374 HydrophobicContact CG2-CB 4.22Å
287	R	98.3	Very high	97	Very high	29 Å²	29	16.6 Å²	16.6	11%	0.109	9%	0.091	C	C	.	.	H	α-helix	trans	-61.8	-41.6	175.7	-69.6	176.8	175.1	-79.2	-0.9	111.7	N283 L284 N290 L291 L367 R368 T370	N283-R287 VanDerWaalsContact O-CG 3.28Å; N283-R287 WeakPolarHBondContact O-CG 3.23Å; N283-R287 PolarHBondContact O-N 2.66Å; N283-R287 WeakPolarHBondContact OD1-CD 3.41Å; N283-R287 PolarHBondContact OD1-NE 3.48Å; L284-R287 WeakPolarHBondContact O-CB 3.49Å; L284-R287 PolarHBondContact O-N 2.79Å; L284-R287 VanDerWaalsContact O-N 3.13Å; R287-N290 PolarHBondContact O-N 2.72Å; R287-L291 PolarHBondContact O-N 3.21Å; R287-L367 PolarHBondContact NH1-O 3.39Å; R287-R368 VanDerWaalsContact NH1-C 3.31Å; R287-R368 PolarHBondContact NH1-O 3.3Å; R287-T370 WeakPolarHBondContact CA-OG1 3.43Å; R287-T370 VanDerWaalsContact CB-OG1 3.23Å; R287-T370 WeakPolarHBondContact CB-OG1 3.5Å; R287-T370 VanDerWaalsContact CG-OG1 3.23Å; R287-T370 WeakPolarHBondContact CG-OG1 3.47Å; R287-T370 PolarHBondContact NH1-O 3.49Å
288	Y	98.3	Very high	97	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.4	-53.2	173	-81.9	-37.9	0	0	0	112.4	F252 T254 L284 L285 V286 N290 L291 F296 Y331 P333 L367	F252-Y288 HydrophobicContact CB-CE1 4.01Å; F252-Y288 WeakPolarHBondContact O-CE1 3.48Å; F252-Y288 PolarHBondContact O-OH 3.44Å; T254-Y288 WeakPolarHBondContact CB-OH 3.21Å; T254-Y288 HydrophobicContact CG2-CE1 4.48Å; T254-Y288 WeakPolarHBondContact CG2-OH 3.31Å; T254-Y288 PolarHBondContact OG1-OH 3.11Å; L284-Y288 HydrophobicContact CD1-CD2 4.09Å; L284-Y288 HydrophobicContact CD1-CE1 4.43Å; L284-Y288 HydrophobicContact CD1-CE2 3.69Å; L284-Y288 HydrophobicContact CD2-CE2 4.03Å; L284-Y288 HydrophobicContact CG-CD2 4.02Å; L284-Y288 HydrophobicContact CG-CE2 3.72Å; L284-Y288 PolarHBondContact O-N 3.15Å; L285-Y288 HydrophobicContact CD2-CD2 4Å; L285-Y288 PolarHBondContact O-N 3.03Å; V286-Y288 VanDerWaalsContact C-N 3.33Å; V286-Y288 PolarHBondContact O-N 3.38Å; Y288-N290 PolarHBondContact O-N 3.24Å; Y288-L291 WeakPolarHBondContact O-CB 3.43Å; Y288-L291 PolarHBondContact O-N 3.16Å; Y288-L291 VanDerWaalsContact O-N 3.13Å; Y288-F296 AromaticContact CD1-CD1 3.65Å; Y288-F296 HydrophobicContact CD1-CD1 3.65Å; Y288-F296 AromaticContact CD1-CE1 3.39Å; Y288-F296 HydrophobicContact CD1-CE1 3.39Å; Y288-F296 HydrophobicContact CD1-CG 4.45Å; Y288-F296 HydrophobicContact CD1-CZ 4.11Å; Y288-F296 HydrophobicContact CD2-CD1 4.41Å; Y288-F296 HydrophobicContact CE1-CD1 4.38Å; Y288-F296 AromaticContact CE1-CE1 3.86Å; Y288-F296 HydrophobicContact CE1-CE1 3.86Å; Y288-F296 AromaticContact CG-CD1 3.68Å; Y288-F296 HydrophobicContact CG-CD1 3.68Å; Y288-F296 AromaticContact CG-CE1 3.94Å; Y288-F296 HydrophobicContact CG-CE1 3.94Å; Y288-F296 HydrophobicContact CG-CG 4.32Å; Y288-F296 WeakPolarHBondContact O-CD2 3.17Å; Y288-Y331 HydrophobicContact CE2-CD1 4.1Å; Y288-Y331 HydrophobicContact CE2-CG 4.22Å; Y288-P333 HydrophobicContact CE1-CG 4.05Å; Y288-L367 HydrophobicContact CD1-CD2 3.79Å; Y288-L367 HydrophobicContact CE1-CD1 4.25Å; Y288-L367 HydrophobicContact CE1-CD2 4.05Å
289	D	97	Very high	97	Very high	2 Å²	2	18 Å²	18	1%	0.011	10%	0.101	C	C	.	.	H	α-helix	trans	-62.7	-32.1	-179.2	-75.4	6.4	0	0	0	111.7	A132 R168 L285 V286 N293 T294 F296 H374 Y375	A132-D289 WeakPolarHBondContact CB-OD2 3.41Å; R168-D289 IonicContact CZ-OD1 2.78Å; R168-D289 IonicContact CZ-OD2 3.39Å; R168-D289 IonicContact NH1-OD1 2.77Å; R168-D289 PolarHBondContact NH1-OD1 3.06Å; R168-D289 IonicContact NH1-OD2 2.73Å; R168-D289 PolarHBondContact NH1-OD2 3.08Å; R168-D289 IonicContact NH2-OD1 3.52Å; R168-D289 PolarHBondContact NH2-OD1 2.99Å; R168-D289 IonicContact NH2-OD2 3.7Å; R168-D289 PolarHBondContact NH2-OD2 2.74Å; L285-D289 PolarHBondContact O-N 3.12Å; V286-D289 PolarHBondContact O-N 3Å; D289-N293 CarbonylContact O-C 3.49Å; D289-N293 WeakPolarHBondContact O-CA 3.46Å; D289-N293 PolarHBondContact O-N 3.3Å; D289-N293 VanDerWaalsContact O-N 3.12Å; D289-T294 VanDerWaalsContact CA-O 3.25Å; D289-T294 WeakPolarHBondContact CA-O 3.36Å; D289-T294 PolarHBondContact O-N 3.49Å; D289-T294 VanDerWaalsContact O-O 3.14Å; D289-F296 WeakPolarHBondContact OD1-CB 3.45Å; D289-F296 PolarHBondContact OD1-N 2.77Å; D289-H374 VanDerWaalsContact CB-NE2 3.27Å; D289-H374 WeakPolarHBondContact CB-NE2 3.46Å; D289-H374 IonicContact OD2-CD2 2.63Å; D289-H374 IonicContact OD2-NE2 2.74Å; D289-H374 PolarHBondContact OD2-NE2 3.12Å; D289-Y375 HydrophobicContact CB-CE1 4.19Å
290	N	97.2	Very high	97	Very high	8 Å²	8	16.6 Å²	16.6	4%	0.043	9%	0.09	C	C	.	.	H	α-helix	trans	-76.1	-23.5	177.8	-73.4	-19.1	0	0	0	114.4	V286 R287 Y288 F292 N293 T370 S371 I373 Y375 R378	V286-N290 WeakPolarHBondContact CG1-ND2 3.47Å; V286-N290 WeakPolarHBondContact O-CB 3.38Å; V286-N290 PolarHBondContact O-N 3.43Å; V286-N290 PolarHBondContact O-ND2 3.18Å; R287-N290 PolarHBondContact O-N 2.72Å; Y288-N290 PolarHBondContact O-N 3.24Å; N290-F292 VanDerWaalsContact C-N 3.27Å; N290-F292 PolarHBondContact O-N 3.17Å; N290-N293 PolarHBondContact O-N 3.22Å; N290-N293 PolarHBondContact O-OD1 3.44Å; N290-T370 HydrophobicContact CB-CG2 4.38Å; N290-S371 PolarHBondContact ND2-O 2.76Å; N290-I373 PolarHBondContact ND2-O 3.28Å; N290-Y375 WeakPolarHBondContact OD1-CB 3.37Å; N290-Y375 PolarHBondContact OD1-N 2.95Å; N290-R378 PolarHBondContact ND2-NH2 3.01Å; N290-R378 PolarHBondContact OD1-NH2 2.82Å
291	L	96.6	Very high	97	Very high	24 Å²	24	16.8 Å²	16.8	13%	0.126	9%	0.093	C	C	.	.	H	α-helix	trans	-58.8	-41.3	-174	-172.8	66.7	0	0	0	111.9	F252 R287 Y288 F296 M366 L367 T370	F252-L291 HydrophobicContact CD1-CD2 3.65Å; F252-L291 HydrophobicContact CD2-CD2 3.69Å; F252-L291 HydrophobicContact CE1-CD1 4.43Å; F252-L291 HydrophobicContact CE1-CD2 3.61Å; F252-L291 HydrophobicContact CE2-CD2 3.66Å; F252-L291 HydrophobicContact CG-CD2 3.7Å; F252-L291 HydrophobicContact CZ-CD2 3.63Å; R287-L291 PolarHBondContact O-N 3.21Å; Y288-L291 WeakPolarHBondContact O-CB 3.43Å; Y288-L291 PolarHBondContact O-N 3.16Å; Y288-L291 VanDerWaalsContact O-N 3.13Å; L291-F296 HydrophobicContact CB-CE2 4.32Å; L291-F296 HydrophobicContact CD2-CE2 3.9Å; L291-F296 HydrophobicContact CD2-CZ 3.9Å; L291-M366 HydrophobicContact CD1-CB 4.03Å; L291-M366 HydrophobicContact CD1-CE 4.33Å; L291-L367 HydrophobicContact CD1-CD2 4.41Å; L291-L367 HydrophobicContact CD2-CD2 4.13Å; L291-T370 HydrophobicContact CB-CG2 4.34Å; L291-T370 HydrophobicContact CD1-CG2 3.97Å
292	F	94.8	Very high	97	Very high	31 Å²	31	16.8 Å²	16.8	14%	0.136	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	16.7	174.5	-57.1	-46.8	0	0	0	113	F252 N290 T294 F296 L335 R337 S338	F252-F292 AromaticContact CE2-CE2 3.95Å; F252-F292 HydrophobicContact CE2-CE2 3.95Å; F252-F292 AromaticContact CE2-CZ 3.81Å; F252-F292 HydrophobicContact CE2-CZ 3.81Å; F252-F292 HydrophobicContact CZ-CZ 4.05Å; N290-F292 VanDerWaalsContact C-N 3.27Å; N290-F292 PolarHBondContact O-N 3.17Å; F292-T294 VanDerWaalsContact C-N 3.32Å; F292-T294 HydrophobicContact CB-CG2 4.17Å; F292-T294 PolarHBondContact O-N 2.78Å; F292-F296 HydrophobicContact CD2-CD2 4.4Å; F292-F296 AromaticContact CD2-CE2 3.68Å; F292-F296 HydrophobicContact CD2-CE2 3.68Å; F292-F296 AromaticContact CE2-CE2 3.95Å; F292-F296 HydrophobicContact CE2-CE2 3.95Å; F292-L335 HydrophobicContact CD2-CB 4.13Å; F292-L335 HydrophobicContact CD2-CD1 4.06Å; F292-L335 HydrophobicContact CE2-CB 3.97Å; F292-R337 WeakPolarHBondContact CE1-O 3.49Å; F292-S338 VanDerWaalsContact CD2-C 3.48Å
293	N	94.5	Very high	97.1	Very high	62 Å²	62	16.8 Å²	16.8	33%	0.332	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	51	-176.6	-61.7	-48.4	0	0	0	112.6	R40 D289 N290 Y375	R40-N293 VanDerWaalsContact CD-O 3.23Å; R40-N293 WeakPolarHBondContact CD-O 3.18Å; D289-N293 CarbonylContact O-C 3.49Å; D289-N293 WeakPolarHBondContact O-CA 3.46Å; D289-N293 PolarHBondContact O-N 3.3Å; D289-N293 VanDerWaalsContact O-N 3.12Å; N290-N293 PolarHBondContact O-N 3.22Å; N290-N293 PolarHBondContact O-OD1 3.44Å; N293-Y375 HydrophobicContact CB-CD1 4.37Å; N293-Y375 HydrophobicContact CB-CD2 4.29Å; N293-Y375 HydrophobicContact CB-CG 4.13Å; N293-Y375 WeakPolarHBondContact OD1-CB 3.42Å
294	T	93.4	Very high	97.1	Very high	6 Å²	6	14.9 Å²	14.9	4%	0.037	8%	0.081	C	C	.	.	S	Bend	trans	-149.6	154.8	-177.8	-165.6	0	0	0	0	109.5	D289 F292 F296 L335	D289-T294 VanDerWaalsContact CA-O 3.25Å; D289-T294 WeakPolarHBondContact CA-O 3.36Å; D289-T294 PolarHBondContact O-N 3.49Å; D289-T294 VanDerWaalsContact O-O 3.14Å; F292-T294 VanDerWaalsContact C-N 3.32Å; F292-T294 HydrophobicContact CB-CG2 4.17Å; F292-T294 PolarHBondContact O-N 2.78Å; T294-F296 PolarHBondContact O-N 3.23Å; T294-L335 HydrophobicContact CG2-CD1 4.11Å
295	P	92.6	Very high	97.1	Very high	48 Å²	48	15 Å²	15	31%	0.312	8%	0.082	S	C	.	.			trans	-55.9	110.7	169	-22.9	35	0	0	0	110.3	D39 P297	D39-P295 HydrophobicContact CB-CG 4.47Å; P295-P297 WeakPolarHBondContact O-CD 3.45Å
296	F	95.6	Very high	96.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.			trans	-82	119.4	-170.4	-154.7	-103.9	0	0	0	110.2	R168 F252 Y288 D289 L291 F292 T294 Y298 P333 L335	R168-F296 PolarHBondContact NH1-O 2.94Å; F252-F296 HydrophobicContact CB-CZ 4.43Å; F252-F296 AromaticContact CD2-CZ 3.98Å; F252-F296 HydrophobicContact CD2-CZ 3.98Å; F252-F296 HydrophobicContact CG-CZ 4.44Å; Y288-F296 AromaticContact CD1-CD1 3.65Å; Y288-F296 HydrophobicContact CD1-CD1 3.65Å; Y288-F296 AromaticContact CD1-CE1 3.39Å; Y288-F296 HydrophobicContact CD1-CE1 3.39Å; Y288-F296 HydrophobicContact CD1-CG 4.45Å; Y288-F296 HydrophobicContact CD1-CZ 4.11Å; Y288-F296 HydrophobicContact CD2-CD1 4.41Å; Y288-F296 HydrophobicContact CE1-CD1 4.38Å; Y288-F296 AromaticContact CE1-CE1 3.86Å; Y288-F296 HydrophobicContact CE1-CE1 3.86Å; Y288-F296 AromaticContact CG-CD1 3.68Å; Y288-F296 HydrophobicContact CG-CD1 3.68Å; Y288-F296 AromaticContact CG-CE1 3.94Å; Y288-F296 HydrophobicContact CG-CE1 3.94Å; Y288-F296 HydrophobicContact CG-CG 4.32Å; Y288-F296 WeakPolarHBondContact O-CD2 3.17Å; D289-F296 WeakPolarHBondContact OD1-CB 3.45Å; D289-F296 PolarHBondContact OD1-N 2.77Å; L291-F296 HydrophobicContact CB-CE2 4.32Å; L291-F296 HydrophobicContact CD2-CE2 3.9Å; L291-F296 HydrophobicContact CD2-CZ 3.9Å; F292-F296 HydrophobicContact CD2-CD2 4.4Å; F292-F296 AromaticContact CD2-CE2 3.68Å; F292-F296 HydrophobicContact CD2-CE2 3.68Å; F292-F296 AromaticContact CE2-CE2 3.95Å; F292-F296 HydrophobicContact CE2-CE2 3.95Å; T294-F296 PolarHBondContact O-N 3.23Å; F296-Y298 WeakPolarHBondContact O-CD1 3.33Å; F296-P333 HydrophobicContact CD1-CB 3.75Å; F296-P333 HydrophobicContact CE1-CB 3.16Å; F296-P333 HydrophobicContact CE1-CG 3.73Å; F296-P333 HydrophobicContact CZ-CB 4.08Å; F296-L335 HydrophobicContact CD2-CD1 3.73Å; F296-L335 HydrophobicContact CE2-CB 3.87Å; F296-L335 HydrophobicContact CE2-CD1 3.8Å; F296-L335 HydrophobicContact CE2-CG 4.35Å; F296-L335 HydrophobicContact CG-CD1 4.45Å; F296-L335 HydrophobicContact CZ-CB 4Å
297	P	96.2	Very high	96.6	Very high	12 Å²	12	15 Å²	15	8%	0.078	8%	0.081	C	C	.	.			trans	-75.4	146.5	179.8	30.6	-33.1	0	0	0	111	R168 A171 P295 P333 P334 L335	R168-P297 WeakPolarHBondContact O-CA 3.3Å; R168-P297 WeakPolarHBondContact O-CB 3.33Å; A171-P297 HydrophobicContact CB-CB 3.94Å; A171-P297 HydrophobicContact CB-CG 3.94Å; P295-P297 WeakPolarHBondContact O-CD 3.45Å; P297-P333 WeakPolarHBondContact O-CA 3.2Å; P297-P333 WeakPolarHBondContact O-CB 3.45Å; P297-P334 HydrophobicContact CB-CG 4.33Å; P297-P334 HydrophobicContact CG-CG 3.94Å; P297-P334 WeakPolarHBondContact O-CD 3.41Å; P297-L335 HydrophobicContact CG-CD1 4.14Å; P297-L335 HydrophobicContact CG-CD2 4.32Å; P297-L335 HydrophobicContact CG-CG 3.84Å
298	Y	97.7	Very high	95.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	154.2	173.3	59.4	-101.5	0	0	0	111.5	E166 R168 V172 L285 F296 M300 Y331	E166-Y298 VanDerWaalsContact CD-OH 3.28Å; E166-Y298 HydrophobicContact CG-CE2 4.16Å; E166-Y298 PolarHBondContact OE1-OH 3.29Å; E166-Y298 WeakPolarHBondContact OE2-CE2 3.24Å; E166-Y298 PolarHBondContact OE2-OH 3.32Å; R168-Y298 HydrophobicContact CB-CD1 4.37Å; R168-Y298 HydrophobicContact CB-CD2 4.32Å; R168-Y298 HydrophobicContact CB-CE1 4.08Å; R168-Y298 HydrophobicContact CB-CE2 3.99Å; R168-Y298 HydrophobicContact CB-CG 4.49Å; R168-Y298 HydrophobicContact CG-CE1 4.34Å; R168-Y298 PolarHBondContact N-O 3.41Å; R168-Y298 PolarHBondContact O-N 3.4Å; R168-Y298 VanDerWaalsContact O-N 3.07Å; V172-Y298 WeakPolarHBondContact CG2-O 3.24Å; L285-Y298 HydrophobicContact CD2-CD1 4.29Å; L285-Y298 HydrophobicContact CD2-CE1 3.4Å; F296-Y298 WeakPolarHBondContact O-CD1 3.33Å; Y298-M300 HydrophobicContact CD2-CB 3.85Å; Y298-M300 HydrophobicContact CD2-CG 3.97Å; Y298-M300 HydrophobicContact CE2-CB 4Å; Y298-M300 HydrophobicContact CE2-CG 3.6Å; Y298-Y331 HydrophobicContact CD1-CD1 4.45Å; Y298-Y331 AromaticContact CD2-CD1 3.79Å; Y298-Y331 HydrophobicContact CD2-CD1 3.79Å; Y298-Y331 HydrophobicContact CD2-CE1 4.19Å; Y298-Y331 AromaticContact CE2-CD1 3.95Å; Y298-Y331 HydrophobicContact CE2-CD1 3.95Å; Y298-Y331 AromaticContact CE2-CE1 3.85Å; Y298-Y331 HydrophobicContact CE2-CE1 3.85Å; Y298-Y331 HydrophobicContact CG-CD1 4.08Å
299	S	98.4	Very high	94.2	Very high	32 Å²	32	16.6 Å²	16.6	22%	0.224	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135.9	154.1	-66.5	0	0	0	0	108.6	E166 N167 L332	E166-S299 CarbonylContact O-C 3.56Å; E166-S299 WeakPolarHBondContact O-CA 3.47Å; N167-S299 WeakPolarHBondContact OD1-CB 3.37Å; N167-S299 PolarHBondContact OD1-OG 2.81Å; S299-L332 PolarHBondContact N-O 3.41Å; S299-L332 WeakPolarHBondContact O-CB 3.41Å; S299-L332 PolarHBondContact O-N 3Å
300	M	98.5	Very high	93.1	Very high	7 Å²	7	18.4 Å²	18.4	3%	0.034	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	159.2	173.3	72.5	78.7	73	0	0	111.1	W146 F165 E166 Y298 M330 Y331	W146-M300 HydrophobicContact CH2-CE 4.38Å; F165-M300 CarbonylContact C-O 3.44Å; F165-M300 WeakPolarHBondContact CA-O 3.43Å; F165-M300 WeakPolarHBondContact CB-O 3.14Å; E166-M300 HydrophobicContact CB-CG 3.83Å; E166-M300 HydrophobicContact CB-SD 4.02Å; E166-M300 PolarHBondContact N-O 3.46Å; E166-M300 PolarHBondContact O-N 2.89Å; Y298-M300 HydrophobicContact CD2-CB 3.85Å; Y298-M300 HydrophobicContact CD2-CG 3.97Å; Y298-M300 HydrophobicContact CE2-CB 4Å; Y298-M300 HydrophobicContact CE2-CG 3.6Å; M300-M330 CarbonylContact C-O 3.56Å; M300-M330 WeakPolarHBondContact CA-O 3.48Å; M300-M330 VanDerWaalsContact CB-O 3.24Å; M300-M330 WeakPolarHBondContact CB-O 3.34Å; M300-Y331 HydrophobicContact CB-CD1 3.48Å; M300-Y331 VanDerWaalsContact CB-CD1 3.48Å; M300-Y331 HydrophobicContact CB-CD2 4.25Å; M300-Y331 HydrophobicContact CB-CE1 3.6Å; M300-Y331 HydrophobicContact CB-CE2 4.36Å; M300-Y331 HydrophobicContact CB-CG 3.83Å; M300-Y331 HydrophobicContact CE-CE1 4.15Å; M300-Y331 HydrophobicContact CE-CE2 3.99Å; M300-Y331 WeakPolarHBondContact CE-OH 3.27Å; M300-Y331 HydrophobicContact CG-CD1 4.15Å; M300-Y331 HydrophobicContact CG-CE1 3.77Å
301	G	98.7	Very high	92	Very high	7 Å²	7	25 Å²	25	7%	0.072	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	159.5	172	0	0	0	0	0	113.8	I164 A329 M330	I164-G301 CarbonylContact O-C 3.51Å; I164-G301 WeakPolarHBondContact O-CA 3.35Å; G301-A329 CarbonylContact O-C 3.49Å; G301-A329 VanDerWaalsContact O-CA 3.26Å; G301-A329 WeakPolarHBondContact O-CA 3.5Å; G301-M330 PolarHBondContact N-O 3.5Å; G301-M330 PolarHBondContact O-N 3.42Å
302	W	98.9	Very high	91.2	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	138.5	176.4	-71.8	97.8	0	0	0	111.3	W146 Q163 I164 W240 L266 L277 L327 A329	W146-W302 AromaticContact CE3-NE1 3.39Å; W146-W302 AromaticContact CH2-NE1 3.83Å; W146-W302 HydrophobicContact CZ3-CZ2 4.3Å; W146-W302 AromaticContact CZ3-NE1 3.22Å; Q163-W302 PolarHBondContact NE2-O 2.78Å; I164-W302 HydrophobicContact CB-CB 4.37Å; I164-W302 PolarHBondContact O-N 3.44Å; W240-W302 AromaticContact CH2-CH2 3.96Å; W240-W302 HydrophobicContact CH2-CH2 3.96Å; W240-W302 HydrophobicContact CH2-CZ3 4.12Å; W240-W302 AromaticContact CZ3-CH2 3.94Å; W240-W302 HydrophobicContact CZ3-CH2 3.94Å; W240-W302 AromaticContact CZ3-CZ3 3.97Å; W240-W302 HydrophobicContact CZ3-CZ3 3.97Å; L266-W302 HydrophobicContact CD1-CB 4.07Å; L266-W302 HydrophobicContact CD1-CD2 4.22Å; L266-W302 HydrophobicContact CD1-CG 3.9Å; L266-W302 HydrophobicContact CD2-CD2 3.95Å; L266-W302 HydrophobicContact CD2-CE3 3.96Å; L266-W302 HydrophobicContact CD2-CG 4.49Å; L266-W302 HydrophobicContact CD2-CH2 4.43Å; L266-W302 HydrophobicContact CD2-CZ2 4.43Å; L266-W302 HydrophobicContact CD2-CZ3 4.21Å; L277-W302 HydrophobicContact CD1-CH2 3.78Å; L277-W302 HydrophobicContact CD1-CZ2 4.09Å; L277-W302 HydrophobicContact CD2-CH2 3.71Å; L277-W302 HydrophobicContact CD2-CZ2 3.72Å; L277-W302 HydrophobicContact CG-CH2 4.39Å; L277-W302 HydrophobicContact CG-CZ2 4.44Å; W302-L327 HydrophobicContact CE3-CD1 3.7Å; W302-L327 HydrophobicContact CE3-CG 4.14Å; W302-L327 HydrophobicContact CZ3-CD1 4.13Å; W302-L327 HydrophobicContact CZ3-CD2 4.37Å; W302-L327 HydrophobicContact CZ3-CG 4.06Å; W302-A329 HydrophobicContact CD2-CB 3.76Å; W302-A329 HydrophobicContact CE3-CB 3.67Å; W302-A329 HydrophobicContact CG-CB 4.43Å; W302-A329 HydrophobicContact CH2-CB 3.95Å; W302-A329 HydrophobicContact CZ2-CB 4.02Å; W302-A329 HydrophobicContact CZ3-CB 3.78Å
303	Y	98.8	Very high	90.7	Very high	35 Å²	35	33.1 Å²	33.1	14%	0.137	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.7	169	-67.5	-80.5	0	0	0	108.1	W161 L192 L196 L327 H328 M330	W161-Y303 HydrophobicContact CH2-CD1 4.18Å; W161-Y303 AromaticContact CZ2-CD1 3.83Å; W161-Y303 HydrophobicContact CZ2-CD1 3.83Å; W161-Y303 HydrophobicContact CZ2-CE1 4.48Å; L192-Y303 HydrophobicContact CD2-CE1 4.4Å; L192-Y303 VanDerWaalsContact CD2-OH 3.29Å; L192-Y303 WeakPolarHBondContact CD2-OH 3.17Å; L196-Y303 HydrophobicContact CD1-CD1 3.41Å; L196-Y303 VanDerWaalsContact CD1-CD1 3.41Å; L196-Y303 HydrophobicContact CD1-CE1 3.42Å; L196-Y303 VanDerWaalsContact CD1-CE1 3.42Å; L196-Y303 HydrophobicContact CD1-CG 4.14Å; Y303-L327 WeakPolarHBondContact O-CA 3.34Å; Y303-H328 WeakPolarHBondContact CB-CE1 3.39Å; Y303-H328 AromaticContact CD2-NE2 3.65Å; Y303-H328 AromaticContact CG-NE2 3.8Å; Y303-H328 PolarHBondContact N-O 2.77Å; Y303-H328 PolarHBondContact O-N 2.94Å; Y303-M330 HydrophobicContact CD2-CG 3.99Å; Y303-M330 HydrophobicContact CE2-CB 4.19Å; Y303-M330 HydrophobicContact CE2-CG 3.74Å
304	Q	98.5	Very high	90.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	19%	0.186	C	C	.	.			trans	-133.1	168.3	-179.4	54.3	-171.6	-18.1	0	0	109	W161 L264 W325 L327	W161-Q304 WeakPolarHBondContact CH2-O 3.24Å; W161-Q304 WeakPolarHBondContact CZ3-O 3.49Å; L264-Q304 WeakPolarHBondContact O-CA 3.4Å; L264-Q304 WeakPolarHBondContact O-CB 3.47Å; Q304-W325 VanDerWaalsContact O-CZ3 3.28Å; Q304-W325 WeakPolarHBondContact O-CZ3 3.26Å; Q304-L327 HydrophobicContact CB-CD1 3.89Å
305	A	98	Very high	90.4	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-57.3	149.6	176.3	0	0	0	0	0	111.4	L264 W265 Y322 W325	L264-A305 HydrophobicContact CB-CB 3.95Å; L264-A305 HydrophobicContact CD2-CB 4.48Å; L264-A305 PolarHBondContact O-N 3.27Å; W265-A305 VanDerWaalsContact CD1-O 3.25Å; W265-A305 HydrophobicContact CD2-CB 4.42Å; W265-A305 HydrophobicContact CZ2-CB 3.82Å; W265-A305 PolarHBondContact NE1-O 3.05Å; A305-Y322 HydrophobicContact CB-CG 4.26Å; A305-W325 HydrophobicContact CB-CB 3.83Å; A305-W325 HydrophobicContact CB-CD2 4.46Å; A305-W325 HydrophobicContact CB-CG 3.93Å
306	P	96	Very high	90.4	Very high	3 Å²	3	41 Å²	41	2%	0.019	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-55.9	157.1	175.5	-23	33	0	0	0	112.1	M189 W265 Y322 W325	M189-P306 HydrophobicContact CE-CB 3.97Å; M189-P306 HydrophobicContact CE-CG 3.54Å; M189-P306 HydrophobicContact SD-CB 3.88Å; M189-P306 HydrophobicContact SD-CG 4.15Å; W265-P306 PolarHBondContact NE1-O 3.23Å; P306-Y322 HydrophobicContact CB-CD1 4.49Å; P306-Y322 HydrophobicContact CB-CE1 3.85Å; P306-Y322 HydrophobicContact CB-CE2 4.24Å; P306-Y322 HydrophobicContact CG-CD1 3.99Å; P306-Y322 HydrophobicContact CG-CE1 3.63Å; P306-W325 HydrophobicContact CG-CZ2 4.27Å
307	M	91	Very high	90.3	Very high	4 Å²	4	45 Å²	45	2%	0.02	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-84.4	164.4	175.9	-70	-175.5	167.6	0	0	111.3	T150 F159 Q160 L162	T150-M307 HydrophobicContact CG2-CE 4.34Å; F159-M307 HydrophobicContact CB-SD 4.34Å; F159-M307 WeakPolarHBondContact O-CB 3.36Å; Q160-M307 PolarHBondContact O-N 2.9Å; L162-M307 HydrophobicContact CB-CE 3.26Å; L162-M307 HydrophobicContact CB-SD 3.9Å; L162-M307 HydrophobicContact CD2-CE 3.64Å; L162-M307 HydrophobicContact CG-CE 3.97Å
308	C	76.3	Confident	90.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-80	132.1	178.3	-173.8	0	0	0	0	110.2	K157 S310 L318	K157-C308 CarbonylContact C-O 3.47Å; K157-C308 WeakPolarHBondContact CA-O 3.44Å; K157-C308 HydrophobicContact CD-CB 3.61Å; K157-C308 VanDerWaalsContact NZ-CB 3.29Å; K157-C308 PolarHBondContact NZ-SG 3.48Å; C308-S310 PolarHBondContact SG-O 3.09Å; C308-L318 HydrophobicContact CB-CD1 3.58Å; C308-L318 HydrophobicContact CB-CD2 3.77Å; C308-L318 HydrophobicContact CB-CG 4.32Å
309	S	69.3	Low	90	Very high	63 Å²	63	47.9 Å²	47.9	44%	0.441	26%	0.255	S	S	.	.			trans	-109	10.4	177.8	67.8	0	0	0	0	113.6	K157	K157-S309 CarbonylContact O-C 3.55Å; K157-S309 WeakPolarHBondContact O-CA 3.27Å
310	S	73.6	Confident	89.9	Confident	40 Å²	40	49.9 Å²	49.9	28%	0.28	27%	0.269	S	S	.	.			trans	-144	138.2	-176.2	176.8	0	0	0	0	110.9	C308 E312	C308-S310 PolarHBondContact SG-O 3.09Å; S310-E312 PolarHBondContact O-N 3.45Å; S310-E312 PolarHBondContact OG-N 3.11Å
311	D	74	Confident	89.7	Confident	147 Å²	147	53.8 Å²	53.8	79%	0.786	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-13.3	175.5	-70.8	-32.6	0	0	0	113.3
312	E	80.4	Confident	89.6	Confident	178 Å²	178	54.6 Å²	54.6	83%	0.832	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-20.7	-176.7	-61.7	-176.6	166.3	0	0	113.7	S310	S310-E312 PolarHBondContact O-N 3.45Å; S310-E312 PolarHBondContact OG-N 3.11Å
313	E	84.1	Confident	89.6	Confident	47 Å²	47	59.7 Å²	59.7	22%	0.22	31%	0.309	C	S	.	.			trans	-84.6	117.9	-176.7	-64.6	-177.9	126	0	0	111.2	L318 K321	E313-L318 HydrophobicContact CB-CD2 4.04Å; E313-L318 HydrophobicContact CB-CG 4.07Å; E313-L318 WeakPolarHBondContact OE2-CD2 3.44Å; E313-K321 WeakPolarHBondContact OE1-CD 3.35Å; E313-K321 IonicContact OE1-NZ 2.69Å; E313-K321 PolarHBondContact OE1-NZ 2.76Å; E313-K321 IonicContact OE2-NZ 3.47Å; E313-K321 PolarHBondContact OE2-NZ 3.27Å
314	S	90	Very high	89.6	Confident	57 Å²	57	58.4 Å²	58.4	40%	0.399	30%	0.304	S	S	.	.			trans	-69.4	164.7	172.4	78.2	0	0	0	0	111.4	E316 D317 L318	S314-E316 PolarHBondContact O-N 3.1Å; S314-E316 PolarHBondContact OG-N 3.1Å; S314-D317 VanDerWaalsContact CB-OD2 3.25Å; S314-D317 WeakPolarHBondContact CB-OD2 3.41Å; S314-D317 PolarHBondContact N-OD2 2.94Å; S314-D317 PolarHBondContact O-N 2.93Å; S314-D317 PolarHBondContact OG-N 3.16Å; S314-D317 PolarHBondContact OG-OD2 3.36Å; S314-L318 WeakPolarHBondContact O-CG 3.42Å; S314-L318 PolarHBondContact O-N 2.83Å
315	L	91	Very high	89.6	Confident	89 Å²	89	58.3 Å²	58.3	47%	0.466	30%	0.304	S	S	.	.	H	α-helix	trans	-58.2	-35.9	175.1	-179.8	62	0	0	0	112	F154 W265 L318 K319	F154-L315 HydrophobicContact CE1-CD1 4.07Å; F154-L315 HydrophobicContact CZ-CD1 3.85Å; W265-L315 HydrophobicContact CZ3-CD1 4.3Å; L315-L318 PolarHBondContact O-N 3.41Å; L315-K319 HydrophobicContact CG-CD 4.44Å; L315-K319 WeakPolarHBondContact O-CG 3.46Å; L315-K319 PolarHBondContact O-N 2.91Å
316	E	93.2	Very high	89.6	Confident	136 Å²	136	58.3 Å²	58.3	64%	0.636	30%	0.303	S	S	*	.	H	α-helix	trans	-70.1	-39	179.6	-165.4	61.4	-156.5	0	0	111.4	S314 L318 K319 S320	S314-E316 PolarHBondContact O-N 3.1Å; S314-E316 PolarHBondContact OG-N 3.1Å; E316-L318 VanDerWaalsContact C-N 3.33Å; E316-L318 PolarHBondContact O-N 3.23Å; E316-K319 PolarHBondContact O-N 3.37Å; E316-S320 WeakPolarHBondContact O-CB 3.32Å; E316-S320 PolarHBondContact O-N 3.07Å
317	D	93.4	Very high	89.7	Confident	84 Å²	84	58.1 Å²	58.1	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-44.4	174.9	-59.3	-47.2	0	0	0	110.7	S314 S320 K321	S314-D317 VanDerWaalsContact CB-OD2 3.25Å; S314-D317 WeakPolarHBondContact CB-OD2 3.41Å; S314-D317 PolarHBondContact N-OD2 2.94Å; S314-D317 PolarHBondContact O-N 2.93Å; S314-D317 PolarHBondContact OG-N 3.16Å; S314-D317 PolarHBondContact OG-OD2 3.36Å; D317-S320 PolarHBondContact O-N 3.37Å; D317-K321 WeakPolarHBondContact O-CB 3.32Å; D317-K321 PolarHBondContact O-N 2.98Å
318	L	93.7	Very high	90.1	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.7	-42.8	177.1	-67.2	167.4	0	0	0	112.2	F154 W265 C308 E313 S314 L315 E316 S320 K321 Y322	F154-L318 HydrophobicContact CE1-CD1 4.42Å; F154-L318 HydrophobicContact CE2-CD1 4.32Å; F154-L318 HydrophobicContact CZ-CD1 3.68Å; W265-L318 HydrophobicContact CH2-CB 4.03Å; C308-L318 HydrophobicContact CB-CD1 3.58Å; C308-L318 HydrophobicContact CB-CD2 3.77Å; C308-L318 HydrophobicContact CB-CG 4.32Å; E313-L318 HydrophobicContact CB-CD2 4.04Å; E313-L318 HydrophobicContact CB-CG 4.07Å; E313-L318 WeakPolarHBondContact OE2-CD2 3.44Å; S314-L318 WeakPolarHBondContact O-CG 3.42Å; S314-L318 PolarHBondContact O-N 2.83Å; L315-L318 PolarHBondContact O-N 3.41Å; E316-L318 VanDerWaalsContact C-N 3.33Å; E316-L318 PolarHBondContact O-N 3.23Å; L318-S320 VanDerWaalsContact C-N 3.35Å; L318-K321 PolarHBondContact O-N 3.13Å; L318-Y322 HydrophobicContact CD2-CD2 4.47Å; L318-Y322 HydrophobicContact CD2-CE2 3.94Å; L318-Y322 WeakPolarHBondContact O-CD2 3.47Å; L318-Y322 PolarHBondContact O-N 2.97Å
319	K	95.2	Very high	91.2	Very high	73 Å²	73	58 Å²	58	32%	0.317	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-43.3	175.8	-78	-176.3	173.2	-167.4	0	111.7	L264 W265 E268 L315 E316 K323	L264-K319 HydrophobicContact CD1-CB 4.3Å; L264-K319 HydrophobicContact CD1-CG 4.03Å; W265-K319 HydrophobicContact CH2-CG 4.37Å; W265-K319 HydrophobicContact CZ3-CG 3.98Å; E268-K319 WeakPolarHBondContact OE1-CE 3.35Å; E268-K319 IonicContact OE1-NZ 2.99Å; E268-K319 PolarHBondContact OE1-NZ 2.7Å; L315-K319 HydrophobicContact CG-CD 4.44Å; L315-K319 WeakPolarHBondContact O-CG 3.46Å; L315-K319 PolarHBondContact O-N 2.91Å; E316-K319 PolarHBondContact O-N 3.37Å; K319-K323 WeakPolarHBondContact O-CA 3.4Å; K319-K323 WeakPolarHBondContact O-CB 3.06Å; K319-K323 PolarHBondContact O-N 3.12Å
320	S	95.1	Very high	92.6	Very high	73 Å²	73	56 Å²	56	51%	0.51	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-44.5	176.5	-175.4	0	0	0	0	111.9	E316 D317 L318 K323	E316-S320 WeakPolarHBondContact O-CB 3.32Å; E316-S320 PolarHBondContact O-N 3.07Å; D317-S320 PolarHBondContact O-N 3.37Å; L318-S320 VanDerWaalsContact C-N 3.35Å; S320-K323 WeakPolarHBondContact O-CD 3.5Å; S320-K323 WeakPolarHBondContact O-CG 3.41Å
321	K	95	Very high	93.8	Very high	89 Å²	89	54 Å²	54	39%	0.387	27%	0.272	S	S	.	.	H	α-helix	trans	-63.1	-42.4	179.6	177.7	174.2	172.3	177.1	0	112.8	E313 D317 L318 H324	E313-K321 WeakPolarHBondContact OE1-CD 3.35Å; E313-K321 IonicContact OE1-NZ 2.69Å; E313-K321 PolarHBondContact OE1-NZ 2.76Å; E313-K321 IonicContact OE2-NZ 3.47Å; E313-K321 PolarHBondContact OE2-NZ 3.27Å; D317-K321 WeakPolarHBondContact O-CB 3.32Å; D317-K321 PolarHBondContact O-N 2.98Å; L318-K321 PolarHBondContact O-N 3.13Å; K321-H324 PolarHBondContact O-CE1 3.35Å; K321-H324 VanDerWaalsContact O-CE1 3.24Å; K321-H324 PolarHBondContact O-ND1 3.25Å
322	Y	97.1	Very high	94.9	Very high	24 Å²	24	49.6 Å²	49.6	9%	0.094	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	18.8	-177	-58.9	-57.2	0	0	0	113.8	L264 W265 A305 P306 L318 H324 W325	L264-Y322 WeakPolarHBondContact CD2-O 3.41Å; W265-Y322 HydrophobicContact CZ2-CD2 4.03Å; A305-Y322 HydrophobicContact CB-CG 4.26Å; P306-Y322 HydrophobicContact CB-CD1 4.49Å; P306-Y322 HydrophobicContact CB-CE1 3.85Å; P306-Y322 HydrophobicContact CB-CE2 4.24Å; P306-Y322 HydrophobicContact CG-CD1 3.99Å; P306-Y322 HydrophobicContact CG-CE1 3.63Å; L318-Y322 HydrophobicContact CD2-CD2 4.47Å; L318-Y322 HydrophobicContact CD2-CE2 3.94Å; L318-Y322 WeakPolarHBondContact O-CD2 3.47Å; L318-Y322 PolarHBondContact O-N 2.97Å; Y322-H324 PolarHBondContact O-N 3.02Å; Y322-W325 WeakPolarHBondContact O-CB 3.5Å; Y322-W325 PolarHBondContact O-N 2.93Å
323	K	97.5	Very high	95.8	Very high	108 Å²	108	41.1 Å²	41.1	47%	0.47	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-18.8	179.8	71.7	-176.1	179.4	-178	0	114.2	P211 H262 K319 S320 W325	P211-K323 WeakPolarHBondContact CG-O 3.49Å; H262-K323 PolarHBondContact CE1-O 3.03Å; H262-K323 PolarHBondContact NE2-O 2.83Å; K319-K323 WeakPolarHBondContact O-CA 3.4Å; K319-K323 WeakPolarHBondContact O-CB 3.06Å; K319-K323 PolarHBondContact O-N 3.12Å; S320-K323 WeakPolarHBondContact O-CD 3.5Å; S320-K323 WeakPolarHBondContact O-CG 3.41Å; K323-W325 VanDerWaalsContact C-N 3.3Å
324	H	98.4	Very high	96.3	Very high	9 Å²	9	39.1 Å²	39.1	4%	0.042	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.9	175.7	54.3	-80.7	0	0	0	114	D197 Q201 A204 K321 Y322	D197-H324 IonicContact OD1-CD2 2.75Å; D197-H324 IonicContact OD1-CE1 3.63Å; D197-H324 IonicContact OD1-NE2 3.49Å; D197-H324 PolarHBondContact OD1-NE2 3.16Å; Q201-H324 PolarHBondContact N-CD2 2.96Å; A204-H324 HydrophobicContact CB-CB 3.7Å; K321-H324 PolarHBondContact O-CE1 3.35Å; K321-H324 VanDerWaalsContact O-CE1 3.24Å; K321-H324 PolarHBondContact O-ND1 3.25Å; Y322-H324 PolarHBondContact O-N 3.02Å
325	W	98.6	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.			trans	-79.2	153.1	178.7	-83.1	83.5	0	0	0	112.6	W161 V193 L196 D197 H262 L264 Q304 A305 P306 Y322 K323	W161-W325 AromaticContact CH2-CH2 3.72Å; W161-W325 HydrophobicContact CH2-CH2 3.72Å; W161-W325 AromaticContact CH2-CZ3 3.98Å; W161-W325 HydrophobicContact CH2-CZ3 3.98Å; W161-W325 AromaticContact CZ3-CH2 3.87Å; W161-W325 HydrophobicContact CZ3-CH2 3.87Å; W161-W325 HydrophobicContact CZ3-CZ2 4.31Å; W161-W325 HydrophobicContact CZ3-CZ3 4.35Å; V193-W325 HydrophobicContact CG1-CH2 3.99Å; V193-W325 HydrophobicContact CG1-CZ2 4.2Å; L196-W325 HydrophobicContact CB-CH2 4.05Å; D197-W325 HydrophobicContact CB-CZ2 3.78Å; D197-W325 PolarHBondContact OD1-NE1 3.28Å; H262-W325 PolarHBondContact CD2-O 3.36Å; H262-W325 PolarHBondContact NE2-O 3.01Å; L264-W325 HydrophobicContact CD2-CB 4.03Å; L264-W325 VanDerWaalsContact CD2-O 3.27Å; L264-W325 WeakPolarHBondContact CD2-O 3.42Å; Q304-W325 VanDerWaalsContact O-CZ3 3.28Å; Q304-W325 WeakPolarHBondContact O-CZ3 3.26Å; A305-W325 HydrophobicContact CB-CB 3.83Å; A305-W325 HydrophobicContact CB-CD2 4.46Å; A305-W325 HydrophobicContact CB-CG 3.93Å; P306-W325 HydrophobicContact CG-CZ2 4.27Å; Y322-W325 WeakPolarHBondContact O-CB 3.5Å; Y322-W325 PolarHBondContact O-N 2.93Å; K323-W325 VanDerWaalsContact C-N 3.3Å
326	Q	98.6	Very high	96.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.			trans	-141.4	126.5	168.1	170.5	60.8	57.2	0	0	108.6	L213 P258 H262 H328	L213-Q326 HydrophobicContact CB-CB 3.95Å; L213-Q326 HydrophobicContact CB-CG 3.95Å; P258-Q326 VanDerWaalsContact CD-NE2 3.34Å; P258-Q326 VanDerWaalsContact CG-NE2 3.32Å; H262-Q326 PolarHBondContact CD2-OE1 2.79Å; Q326-H328 PolarHBondContact O-N 3.49Å; Q326-H328 PolarHBondContact O-ND1 3.13Å
327	L	98.9	Very high	96	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.146	C	C	.	.			trans	-53.8	131.2	176	175.4	68.9	0	0	0	110.5	W240 P258 I263 L266 L269 W302 Y303 Q304	W240-L327 HydrophobicContact CH2-CD2 4.05Å; P258-L327 WeakPolarHBondContact CD-O 3.43Å; I263-L327 HydrophobicContact CB-CB 4.17Å; I263-L327 HydrophobicContact CB-CD2 4.41Å; I263-L327 HydrophobicContact CG2-CB 4.27Å; I263-L327 HydrophobicContact CG2-CD2 3.85Å; I263-L327 WeakPolarHBondContact O-CB 3.38Å; I263-L327 PolarHBondContact O-N 3.43Å; L266-L327 HydrophobicContact CD2-CD1 3.99Å; L266-L327 HydrophobicContact CD2-CD2 3.95Å; L266-L327 HydrophobicContact CG-CD1 3.81Å; L266-L327 HydrophobicContact CG-CD2 4.38Å; L269-L327 HydrophobicContact CD2-CD2 4.04Å; L269-L327 HydrophobicContact CG-CD2 4.41Å; W302-L327 HydrophobicContact CE3-CD1 3.7Å; W302-L327 HydrophobicContact CE3-CG 4.14Å; W302-L327 HydrophobicContact CZ3-CD1 4.13Å; W302-L327 HydrophobicContact CZ3-CD2 4.37Å; W302-L327 HydrophobicContact CZ3-CG 4.06Å; Y303-L327 WeakPolarHBondContact O-CA 3.34Å; Q304-L327 HydrophobicContact CB-CD1 3.89Å
328	H	98.9	Very high	95.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	158	173.5	61.3	-74.7	0	0	0	111.6	L213 M255 I256 L257 Y303 Q326	L213-H328 HydrophobicContact CD1-CB 4.27Å; L213-H328 WeakPolarHBondContact CD1-CE1 3.4Å; L213-H328 WeakPolarHBondContact CD1-ND1 3.33Å; M255-H328 HydrophobicContact CG-CB 4.18Å; M255-H328 HydrophobicContact SD-CB 4.45Å; I256-H328 CarbonylContact O-C 3.53Å; I256-H328 WeakPolarHBondContact O-CA 3.21Å; I256-H328 WeakPolarHBondContact O-CB 3.42Å; L257-H328 HydrophobicContact CB-CB 3.92Å; Y303-H328 WeakPolarHBondContact CB-CE1 3.39Å; Y303-H328 AromaticContact CD2-NE2 3.65Å; Y303-H328 AromaticContact CG-NE2 3.8Å; Y303-H328 PolarHBondContact N-O 2.77Å; Y303-H328 PolarHBondContact O-N 2.94Å; Q326-H328 PolarHBondContact O-N 3.49Å; Q326-H328 PolarHBondContact O-ND1 3.13Å
329	A	98.9	Very high	95.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147.3	169.2	0	0	0	0	0	110.5	M255 I256 G301 W302 Y331	M255-A329 CarbonylContact C-O 3.57Å; M255-A329 VanDerWaalsContact CA-O 3.25Å; M255-A329 WeakPolarHBondContact CA-O 3.13Å; I256-A329 HydrophobicContact CB-CB 4.26Å; I256-A329 PolarHBondContact N-O 3.24Å; I256-A329 PolarHBondContact O-N 3.03Å; G301-A329 CarbonylContact O-C 3.49Å; G301-A329 VanDerWaalsContact O-CA 3.26Å; G301-A329 WeakPolarHBondContact O-CA 3.5Å; W302-A329 HydrophobicContact CD2-CB 3.76Å; W302-A329 HydrophobicContact CE3-CB 3.67Å; W302-A329 HydrophobicContact CG-CB 4.43Å; W302-A329 HydrophobicContact CH2-CB 3.95Å; W302-A329 HydrophobicContact CZ2-CB 4.02Å; W302-A329 HydrophobicContact CZ3-CB 3.78Å; A329-Y331 HydrophobicContact CB-CE2 4.44Å
330	M	98.7	Very high	95	Very high	20 Å²	20	26.4 Å²	26.4	10%	0.099	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141	172.5	-64.3	-60.4	-64.3	0	0	110.1	P245 E253 T254 M255 M300 G301 Y303 L332	P245-M330 HydrophobicContact CG-CE 4.25Å; E253-M330 HydrophobicContact CG-CE 3.95Å; E253-M330 WeakPolarHBondContact OE1-CE 3.5Å; T254-M330 CarbonylContact O-C 3.53Å; M255-M330 HydrophobicContact CB-SD 3.71Å; M255-M330 HydrophobicContact CE-CE 4.33Å; M255-M330 HydrophobicContact CE-SD 3.48Å; M255-M330 WeakPolarHBondContact CE-SD 3.44Å; M255-M330 HydrophobicContact CG-SD 3.71Å; M255-M330 HydrophobicContact SD-SD 4.44Å; M300-M330 CarbonylContact C-O 3.56Å; M300-M330 WeakPolarHBondContact CA-O 3.48Å; M300-M330 VanDerWaalsContact CB-O 3.24Å; M300-M330 WeakPolarHBondContact CB-O 3.34Å; G301-M330 PolarHBondContact N-O 3.5Å; G301-M330 PolarHBondContact O-N 3.42Å; Y303-M330 HydrophobicContact CD2-CG 3.99Å; Y303-M330 HydrophobicContact CE2-CB 4.19Å; Y303-M330 HydrophobicContact CE2-CG 3.74Å; M330-L332 HydrophobicContact CB-CD2 4.36Å; M330-L332 HydrophobicContact CE-CD2 4.41Å
331	Y	98.8	Very high	94.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128	168.7	-70.9	-103.9	0	0	0	109.1	E253 T254 I256 L284 L285 Y288 Y298 M300 A329 P333	E253-Y331 WeakPolarHBondContact CA-O 3.47Å; E253-Y331 WeakPolarHBondContact CG-O 3.44Å; T254-Y331 PolarHBondContact N-O 2.95Å; T254-Y331 VanDerWaalsContact N-O 3.11Å; T254-Y331 PolarHBondContact O-N 3.33Å; T254-Y331 WeakPolarHBondContact OG1-CB 3.25Å; I256-Y331 HydrophobicContact CD1-CD2 4.41Å; I256-Y331 HydrophobicContact CD1-CE2 3.58Å; I256-Y331 HydrophobicContact CG1-CD2 4.39Å; I256-Y331 HydrophobicContact CG1-CE2 3.98Å; L284-Y331 HydrophobicContact CD2-CD2 3.91Å; L284-Y331 HydrophobicContact CD2-CE2 3.92Å; L284-Y331 HydrophobicContact CD2-CG 4.29Å; L285-Y331 HydrophobicContact CD2-CD1 4.23Å; L285-Y331 HydrophobicContact CD2-CE1 3.68Å; Y288-Y331 HydrophobicContact CE2-CD1 4.1Å; Y288-Y331 HydrophobicContact CE2-CG 4.22Å; Y298-Y331 HydrophobicContact CD1-CD1 4.45Å; Y298-Y331 AromaticContact CD2-CD1 3.79Å; Y298-Y331 HydrophobicContact CD2-CD1 3.79Å; Y298-Y331 HydrophobicContact CD2-CE1 4.19Å; Y298-Y331 AromaticContact CE2-CD1 3.95Å; Y298-Y331 HydrophobicContact CE2-CD1 3.95Å; Y298-Y331 AromaticContact CE2-CE1 3.85Å; Y298-Y331 HydrophobicContact CE2-CE1 3.85Å; Y298-Y331 HydrophobicContact CG-CD1 4.08Å; M300-Y331 HydrophobicContact CB-CD1 3.48Å; M300-Y331 VanDerWaalsContact CB-CD1 3.48Å; M300-Y331 HydrophobicContact CB-CD2 4.25Å; M300-Y331 HydrophobicContact CB-CE1 3.6Å; M300-Y331 HydrophobicContact CB-CE2 4.36Å; M300-Y331 HydrophobicContact CB-CG 3.83Å; M300-Y331 HydrophobicContact CE-CE1 4.15Å; M300-Y331 HydrophobicContact CE-CE2 3.99Å; M300-Y331 WeakPolarHBondContact CE-OH 3.27Å; M300-Y331 HydrophobicContact CG-CD1 4.15Å; M300-Y331 HydrophobicContact CG-CE1 3.77Å; A329-Y331 HydrophobicContact CB-CE2 4.44Å; Y331-P333 VanDerWaalsContact C-CD 3.46Å; Y331-P333 VanDerWaalsContact O-CD 3.28Å; Y331-P333 WeakPolarHBondContact O-CD 3.16Å
332	L	98.2	Very high	94.4	Very high	53 Å²	53	21.3 Å²	21.3	28%	0.277	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	74.5	-171.1	-50.4	-179.6	0	0	0	110.1	W250 E253 S299 M330	W250-L332 HydrophobicContact CD2-CB 4.46Å; W250-L332 HydrophobicContact CG-CB 4.12Å; E253-L332 HydrophobicContact CG-CD2 3.91Å; S299-L332 PolarHBondContact N-O 3.41Å; S299-L332 WeakPolarHBondContact O-CB 3.41Å; S299-L332 PolarHBondContact O-N 3Å; M330-L332 HydrophobicContact CB-CD2 4.36Å; M330-L332 HydrophobicContact CE-CD2 4.41Å
333	P	97.6	Very high	94.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.			trans	-81.3	137.3	-178.6	30.1	-32.7	0	0	0	112.7	F252 Y288 F296 P297 Y331	F252-P333 HydrophobicContact CB-CG 3.9Å; F252-P333 VanDerWaalsContact O-CG 3.23Å; F252-P333 WeakPolarHBondContact O-CG 3.28Å; Y288-P333 HydrophobicContact CE1-CG 4.05Å; F296-P333 HydrophobicContact CD1-CB 3.75Å; F296-P333 HydrophobicContact CE1-CB 3.16Å; F296-P333 HydrophobicContact CE1-CG 3.73Å; F296-P333 HydrophobicContact CZ-CB 4.08Å; P297-P333 WeakPolarHBondContact O-CA 3.2Å; P297-P333 WeakPolarHBondContact O-CB 3.45Å; Y331-P333 VanDerWaalsContact C-CD 3.46Å; Y331-P333 VanDerWaalsContact O-CD 3.28Å; Y331-P333 WeakPolarHBondContact O-CD 3.16Å
334	P	95.7	Very high	93.9	Very high	5 Å²	5	19 Å²	19	3%	0.032	10%	0.095	C	C	.	.			trans	-85.2	-21.1	-178.1	34.8	-35.7	0	0	0	113.7	A171 V172 W250 P297 K342 K343	A171-P334 HydrophobicContact CB-CG 4.14Å; V172-P334 HydrophobicContact CG1-CG 3.87Å; W250-P334 HydrophobicContact CE3-CB 4.34Å; W250-P334 HydrophobicContact CZ3-CB 3.89Å; P297-P334 HydrophobicContact CB-CG 4.33Å; P297-P334 HydrophobicContact CG-CG 3.94Å; P297-P334 WeakPolarHBondContact O-CD 3.41Å; P334-K342 HydrophobicContact CB-CB 4.24Å; P334-K342 CarbonylContact O-C 3.5Å; P334-K342 VanDerWaalsContact O-CA 3.29Å; P334-K342 WeakPolarHBondContact O-CA 3.43Å; P334-K342 WeakPolarHBondContact O-CB 3.39Å; P334-K343 PolarHBondContact O-N 2.94Å
335	L	94.2	Very high	93.7	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.021	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	139.6	-176.8	-65.3	-175	0	0	0	111.6	P251 F252 F292 T294 F296 P297 K342	P251-L335 WeakPolarHBondContact CB-O 3.44Å; F252-L335 WeakPolarHBondContact CD2-O 3.23Å; F292-L335 HydrophobicContact CD2-CB 4.13Å; F292-L335 HydrophobicContact CD2-CD1 4.06Å; F292-L335 HydrophobicContact CE2-CB 3.97Å; T294-L335 HydrophobicContact CG2-CD1 4.11Å; F296-L335 HydrophobicContact CD2-CD1 3.73Å; F296-L335 HydrophobicContact CE2-CB 3.87Å; F296-L335 HydrophobicContact CE2-CD1 3.8Å; F296-L335 HydrophobicContact CE2-CG 4.35Å; F296-L335 HydrophobicContact CG-CD1 4.45Å; F296-L335 HydrophobicContact CZ-CB 4Å; P297-L335 HydrophobicContact CG-CD1 4.14Å; P297-L335 HydrophobicContact CG-CD2 4.32Å; P297-L335 HydrophobicContact CG-CG 3.84Å; L335-K342 HydrophobicContact CD2-CB 4.25Å
336	L	90.4	Very high	93.4	Very high	11 Å²	11	23.4 Å²	23.4	6%	0.058	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	-58.9	-174.1	174.4	60.4	0	0	0	112.9	P251 F252 V341 K343 D357 L358	P251-L336 HydrophobicContact CB-CB 4.36Å; P251-L336 HydrophobicContact CB-CD1 3.64Å; P251-L336 HydrophobicContact CG-CB 3.91Å; P251-L336 HydrophobicContact CG-CD1 3.68Å; P251-L336 HydrophobicContact CG-CG 4.31Å; F252-L336 WeakPolarHBondContact CE2-O 3.28Å; L336-V341 PolarHBondContact N-O 2.79Å; L336-K343 HydrophobicContact CB-CB 4.38Å; L336-D357 HydrophobicContact CD1-CB 4.47Å; L336-D357 HydrophobicContact CD2-CB 4.42Å; L336-L358 HydrophobicContact CD1-CB 4.49Å
337	R	83.9	Confident	93.3	Very high	81 Å²	81	25.6 Å²	25.6	31%	0.306	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-29.5	-171.7	-57.4	-171.9	-178.7	172.5	-2.8	114.2	R26 I27 R29 F292 V341	R26-R337 PolarHBondContact O-NH2 3.5Å; I27-R337 HydrophobicContact CG1-CG 4.43Å; I27-R337 PolarHBondContact O-NE 2.9Å; I27-R337 PolarHBondContact O-NH2 3Å; R29-R337 PolarHBondContact O-NH1 3.14Å; R29-R337 PolarHBondContact O-NH2 3.23Å; F292-R337 WeakPolarHBondContact CE1-O 3.49Å; R337-V341 HydrophobicContact CB-CB 4.1Å; R337-V341 HydrophobicContact CB-CG1 4.15Å; R337-V341 HydrophobicContact CG-CG1 4.14Å; R337-V341 PolarHBondContact N-O 2.84Å
338	S	88.4	Confident	93.1	Very high	32 Å²	32	30.9 Å²	30.9	22%	0.224	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	-179.4	-176.4	68.1	0	0	0	0	109.6	F292 T340 V341	F292-S338 VanDerWaalsContact CD2-C 3.48Å; S338-T340 PolarHBondContact O-N 3.32Å; S338-T340 VanDerWaalsContact O-N 3.11Å; S338-T340 PolarHBondContact OG-N 3Å; S338-T340 VanDerWaalsContact OG-N 3.09Å; S338-T340 PolarHBondContact OG-OG1 3.06Å; S338-T340 VanDerWaalsContact OG-OG1 3.05Å; S338-V341 PolarHBondContact O-N 3.44Å; S338-V341 PolarHBondContact OG-N 3.31Å
339	S	86	Confident	93	Very high	15 Å²	15	32.3 Å²	32.3	11%	0.105	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.3	168.5	55.2	0	0	0	0	113.7
340	T	85.3	Confident	92.8	Very high	30 Å²	30	38.4 Å²	38.4	18%	0.184	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-4.1	-172.7	61.9	0	0	0	0	114.6	I35 E36 D38 S338	I35-T340 CarbonylContact C-O 3.6Å; I35-T340 WeakPolarHBondContact CA-O 3.18Å; I35-T340 HydrophobicContact CG2-CG2 4.08Å; E36-T340 PolarHBondContact N-O 3.3Å; E36-T340 WeakPolarHBondContact O-CB 3.42Å; E36-T340 VanDerWaalsContact O-CG2 3.23Å; E36-T340 WeakPolarHBondContact O-CG2 3.23Å; D38-T340 HydrophobicContact CB-CG2 4.24Å; S338-T340 PolarHBondContact O-N 3.32Å; S338-T340 VanDerWaalsContact O-N 3.11Å; S338-T340 PolarHBondContact OG-N 3Å; S338-T340 VanDerWaalsContact OG-N 3.09Å; S338-T340 PolarHBondContact OG-OG1 3.06Å; S338-T340 VanDerWaalsContact OG-OG1 3.05Å
341	V	88	Confident	92.7	Very high	18 Å²	18	44.9 Å²	44.9	11%	0.109	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	108.5	-177.7	180	0	0	0	0	110	W31 L336 R337 S338	W31-V341 HydrophobicContact CD2-CG1 4.47Å; W31-V341 HydrophobicContact CG-CG1 4.22Å; L336-V341 PolarHBondContact N-O 2.79Å; R337-V341 HydrophobicContact CB-CB 4.1Å; R337-V341 HydrophobicContact CB-CG1 4.15Å; R337-V341 HydrophobicContact CG-CG1 4.14Å; R337-V341 PolarHBondContact N-O 2.84Å; S338-V341 PolarHBondContact O-N 3.44Å; S338-V341 PolarHBondContact OG-N 3.31Å
342	K	91	Very high	92.6	Very high	37 Å²	37	48.2 Å²	48.2	16%	0.161	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	158.5	177.6	75	-178.4	-179.3	-152.2	0	113.3	E36 P334 L335 F344	E36-K342 HydrophobicContact CG-CD 4.27Å; E36-K342 HydrophobicContact CG-CG 4.46Å; E36-K342 VanDerWaalsContact OE1-CD 3.24Å; E36-K342 WeakPolarHBondContact OE1-CD 3.25Å; E36-K342 WeakPolarHBondContact OE1-CE 3.41Å; E36-K342 IonicContact OE1-NZ 2.7Å; E36-K342 PolarHBondContact OE1-NZ 2.91Å; E36-K342 IonicContact OE2-NZ 3.3Å; P334-K342 HydrophobicContact CB-CB 4.24Å; P334-K342 CarbonylContact O-C 3.5Å; P334-K342 VanDerWaalsContact O-CA 3.29Å; P334-K342 WeakPolarHBondContact O-CA 3.43Å; P334-K342 WeakPolarHBondContact O-CB 3.39Å; L335-K342 HydrophobicContact CD2-CB 4.25Å; K342-F344 HydrophobicContact CD-CZ 4.27Å; K342-F344 VanDerWaalsContact CE-CE1 3.42Å; K342-F344 HydrophobicContact CG-CD2 4.22Å; K342-F344 HydrophobicContact CG-CE1 4.48Å; K342-F344 HydrophobicContact CG-CE2 3.7Å; K342-F344 HydrophobicContact CG-CZ 3.86Å; K342-F344 WeakPolarHBondContact O-CD2 3.38Å
343	K	92.4	Very high	92.5	Very high	14 Å²	14	47.7 Å²	47.7	6%	0.061	26%	0.264	C	S	.	.			trans	-72.8	137	164.5	174.9	63	173.2	-176.3	0	109.1	P251 P334 L336 M345 E349 Q355 D357	P251-K343 HydrophobicContact CG-CB 3.71Å; P251-K343 HydrophobicContact CG-CG 4.33Å; P334-K343 PolarHBondContact O-N 2.94Å; L336-K343 HydrophobicContact CB-CB 4.38Å; K343-M345 HydrophobicContact CG-CE 4.38Å; K343-M345 HydrophobicContact CG-SD 4.38Å; K343-E349 WeakPolarHBondContact CE-OE1 3.17Å; K343-E349 IonicContact NZ-OE1 2.81Å; K343-E349 PolarHBondContact NZ-OE1 2.95Å; K343-Q355 WeakPolarHBondContact CE-O 3.32Å; K343-Q355 PolarHBondContact NZ-O 3.2Å; K343-D357 IonicContact NZ-OD2 3.05Å; K343-D357 PolarHBondContact NZ-OD2 3.31Å
344	F	91.7	Very high	92.5	Very high	70 Å²	70	49.1 Å²	49.1	31%	0.307	27%	0.273	S	S	.	.			trans	-109.9	116.7	168.8	-67.1	-96.7	0	0	0	108.3	W31 Q34 K342 S346	W31-F344 AromaticContact CH2-CD2 3.87Å; W31-F344 HydrophobicContact CH2-CD2 3.87Å; W31-F344 AromaticContact CH2-CE2 3.73Å; W31-F344 HydrophobicContact CH2-CE2 3.73Å; W31-F344 HydrophobicContact CZ2-CD2 4.29Å; W31-F344 AromaticContact CZ2-CE2 3.71Å; W31-F344 HydrophobicContact CZ2-CE2 3.71Å; Q34-F344 HydrophobicContact CB-CZ 4.34Å; K342-F344 HydrophobicContact CD-CZ 4.27Å; K342-F344 VanDerWaalsContact CE-CE1 3.42Å; K342-F344 HydrophobicContact CG-CD2 4.22Å; K342-F344 HydrophobicContact CG-CE1 4.48Å; K342-F344 HydrophobicContact CG-CE2 3.7Å; K342-F344 HydrophobicContact CG-CZ 3.86Å; K342-F344 WeakPolarHBondContact O-CD2 3.38Å; F344-S346 PolarHBondContact O-N 2.76Å
345	M	93.1	Very high	92.5	Very high	45 Å²	45	49.3 Å²	49.3	22%	0.222	27%	0.273	C	S	.	.			trans	-80.1	99.8	165.7	-64.2	-60.4	-169.3	0	0	107.1	C249 W250 K343 E349 T354	C249-M345 HydrophobicContact CB-CE 4.1Å; C249-M345 WeakPolarHBondContact O-CE 3.29Å; W250-M345 HydrophobicContact CD2-CE 4.12Å; W250-M345 HydrophobicContact CE3-CE 4.37Å; W250-M345 HydrophobicContact CG-CE 4.42Å; W250-M345 HydrophobicContact CH2-CG 3.87Å; W250-M345 HydrophobicContact CZ2-CG 4.02Å; W250-M345 HydrophobicContact CZ3-CG 4.24Å; K343-M345 HydrophobicContact CG-CE 4.38Å; K343-M345 HydrophobicContact CG-SD 4.38Å; M345-E349 HydrophobicContact CB-CB 4.38Å; M345-E349 HydrophobicContact SD-CB 4.19Å; M345-E349 HydrophobicContact SD-CG 3.93Å; M345-T354 HydrophobicContact CE-CG2 3.87Å; M345-T354 HydrophobicContact SD-CG2 4.07Å
346	S	93.1	Very high	92.6	Very high	56 Å²	56	49.3 Å²	49.3	39%	0.392	27%	0.273	S	S	.	.			trans	-140	-165.8	-166.5	61.9	0	0	0	0	110.9	F344 F348 E349 L350	F344-S346 PolarHBondContact O-N 2.76Å; S346-F348 CarbonylContact O-C 3.53Å; S346-F348 PolarHBondContact O-N 3.35Å; S346-E349 PolarHBondContact N-OE2 3.32Å; S346-E349 WeakPolarHBondContact O-CA 3.35Å; S346-E349 PolarHBondContact O-N 3.45Å; S346-L350 PolarHBondContact O-N 3.17Å
347	G	95.7	Very high	92.6	Very high	46 Å²	46	49.4 Å²	49.4	47%	0.474	27%	0.274	S	S	.	.	H	α-helix	trans	14.5	-84.7	173.3	0	0	0	0	0	117.3	L351	G347-L351 WeakPolarHBondContact O-CB 3.31Å; G347-L351 WeakPolarHBondContact O-CG 3.5Å; G347-L351 PolarHBondContact O-N 3.49Å
348	F	96	Very high	93	Very high	111 Å²	111	46 Å²	46	49%	0.487	26%	0.262	S	S	.	.	H	α-helix	trans	-70.8	-44	-177.9	-171.1	-89.4	0	0	0	112.9	I21 S346 L350 L351 A352 E353	I21-F348 HydrophobicContact CD1-CE1 3.54Å; I21-F348 HydrophobicContact CD1-CZ 3.85Å; S346-F348 CarbonylContact O-C 3.53Å; S346-F348 PolarHBondContact O-N 3.35Å; F348-L350 VanDerWaalsContact C-N 3.3Å; F348-L350 PolarHBondContact O-N 2.73Å; F348-L351 PolarHBondContact O-N 3.12Å; F348-A352 HydrophobicContact CD1-CB 4.35Å; F348-A352 HydrophobicContact CD2-CB 4.11Å; F348-A352 HydrophobicContact CE1-CB 4.07Å; F348-A352 HydrophobicContact CE2-CB 3.84Å; F348-A352 HydrophobicContact CG-CB 4.36Å; F348-A352 HydrophobicContact CZ-CB 3.82Å; F348-A352 WeakPolarHBondContact O-CA 3.28Å; F348-A352 WeakPolarHBondContact O-CB 3.49Å; F348-A352 PolarHBondContact O-N 2.94Å; F348-E353 WeakPolarHBondContact CD1-O 3.26Å; F348-E353 HydrophobicContact CE1-CB 4.03Å; F348-E353 VanDerWaalsContact CE1-O 3.24Å; F348-E353 WeakPolarHBondContact CE1-O 3.39Å; F348-E353 PolarHBondContact O-N 2.81Å
349	E	95.7	Very high	93.2	Very high	30 Å²	30	45.1 Å²	45.1	14%	0.14	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-31	177.4	-60	95.3	153.2	0	0	113.1	K343 M345 S346 Q355	K343-E349 WeakPolarHBondContact CE-OE1 3.17Å; K343-E349 IonicContact NZ-OE1 2.81Å; K343-E349 PolarHBondContact NZ-OE1 2.95Å; M345-E349 HydrophobicContact CB-CB 4.38Å; M345-E349 HydrophobicContact SD-CB 4.19Å; M345-E349 HydrophobicContact SD-CG 3.93Å; S346-E349 PolarHBondContact N-OE2 3.32Å; S346-E349 WeakPolarHBondContact O-CA 3.35Å; S346-E349 PolarHBondContact O-N 3.45Å; E349-Q355 HydrophobicContact CG-CB 4.29Å
350	L	95	Very high	93.7	Very high	128 Å²	128	44.4 Å²	44.4	67%	0.67	25%	0.249	S	C	*	.	H	α-helix	trans	-81.3	-22.8	177.6	-66.9	178.2	0	0	0	113.9	S346 F348	S346-L350 PolarHBondContact O-N 3.17Å; F348-L350 VanDerWaalsContact C-N 3.3Å; F348-L350 PolarHBondContact O-N 2.73Å
351	L	97.3	Very high	94.2	Very high	157 Å²	157	43.6 Å²	43.6	82%	0.822	24%	0.243	S	C	*	.	H	α-helix	trans	-118.7	-8.2	-171.4	-62.2	173.2	0	0	0	114.2	G347 F348	G347-L351 WeakPolarHBondContact O-CB 3.31Å; G347-L351 WeakPolarHBondContact O-CG 3.5Å; G347-L351 PolarHBondContact O-N 3.49Å; F348-L351 PolarHBondContact O-N 3.12Å
352	A	97	Very high	94.5	Very high	70 Å²	70	45.4 Å²	45.4	58%	0.579	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.7	-86.7	-176.1	0	0	0	0	0	112.9	F348	F348-A352 HydrophobicContact CD1-CB 4.35Å; F348-A352 HydrophobicContact CD2-CB 4.11Å; F348-A352 HydrophobicContact CE1-CB 4.07Å; F348-A352 HydrophobicContact CE2-CB 3.84Å; F348-A352 HydrophobicContact CG-CB 4.36Å; F348-A352 HydrophobicContact CZ-CB 3.82Å; F348-A352 WeakPolarHBondContact O-CA 3.28Å; F348-A352 WeakPolarHBondContact O-CB 3.49Å; F348-A352 PolarHBondContact O-N 2.94Å
353	E	96.1	Very high	94.8	Very high	41 Å²	41	43.6 Å²	43.6	19%	0.192	25%	0.247	C	C	.	.			trans	-145	141.8	-172.3	-172.4	168.9	104.5	0	0	109.8	R10 W19 I21 F348 Q355	R10-E353 IonicContact CZ-OE1 2.77Å; R10-E353 IonicContact CZ-OE2 3.3Å; R10-E353 IonicContact NE-OE1 3.76Å; R10-E353 PolarHBondContact NE-OE1 3.13Å; R10-E353 IonicContact NE-OE2 3.22Å; R10-E353 IonicContact NH2-OE1 2.81Å; R10-E353 IonicContact NH2-OE2 2.78Å; R10-E353 PolarHBondContact NH2-OE2 3.13Å; W19-E353 WeakPolarHBondContact CB-OE2 3.39Å; W19-E353 WeakPolarHBondContact O-CG 3.47Å; I21-E353 HydrophobicContact CD1-CB 4.44Å; I21-E353 HydrophobicContact CG1-CG 4.17Å; I21-E353 WeakPolarHBondContact CG1-OE1 2.98Å; F348-E353 WeakPolarHBondContact CD1-O 3.26Å; F348-E353 HydrophobicContact CE1-CB 4.03Å; F348-E353 VanDerWaalsContact CE1-O 3.24Å; F348-E353 WeakPolarHBondContact CE1-O 3.39Å; F348-E353 PolarHBondContact O-N 2.81Å; E353-Q355 PolarHBondContact O-N 3.28Å
354	T	97	Very high	95	Very high	31 Å²	31	43 Å²	43	19%	0.19	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	137.2	179.2	-57.6	0	0	0	0	111	I21 C249 M345	I21-T354 PolarHBondContact N-O 3.33Å; C249-T354 HydrophobicContact CB-CG2 3.74Å; M345-T354 HydrophobicContact CE-CG2 3.87Å; M345-T354 HydrophobicContact SD-CG2 4.07Å
355	Q	95.9	Very high	95.2	Very high	8 Å²	8	42 Å²	42	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	137.7	178.3	-178.1	-89.4	-42.5	0	0	111.3	I21 K343 E349 E353 D357	I21-Q355 HydrophobicContact CB-CB 4.13Å; I21-Q355 HydrophobicContact CB-CG 4.07Å; I21-Q355 HydrophobicContact CG2-CG 4.07Å; I21-Q355 CarbonylContact O-C 3.54Å; I21-Q355 WeakPolarHBondContact O-CA 3.49Å; K343-Q355 WeakPolarHBondContact CE-O 3.32Å; K343-Q355 PolarHBondContact NZ-O 3.2Å; E349-Q355 HydrophobicContact CG-CB 4.29Å; E353-Q355 PolarHBondContact O-N 3.28Å; Q355-D357 PolarHBondContact NE2-OD1 3.36Å; Q355-D357 PolarHBondContact OE1-OD1 2.62Å
356	R	95.6	Very high	95.4	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	144.6	173.4	70.7	-179.5	-70.3	116.6	8.9	113.1	I20 I21 V22 S23 A248 W250 P251 L358	I20-R356 HydrophobicContact CG2-CG 4.11Å; I21-R356 PolarHBondContact O-N 3.34Å; V22-R356 HydrophobicContact CB-CG 4.39Å; V22-R356 HydrophobicContact CG1-CG 4.31Å; V22-R356 HydrophobicContact CG2-CG 4.07Å; S23-R356 PolarHBondContact N-O 3.29Å; A248-R356 WeakPolarHBondContact O-CD 3.48Å; A248-R356 PolarHBondContact O-NH1 2.99Å; W250-R356 PolarHBondContact O-NH1 2.94Å; P251-R356 PolarHBondContact O-NH2 3.04Å; R356-L358 PolarHBondContact NE-O 3.28Å; R356-L358 PolarHBondContact NH2-O 3.26Å
357	D	90.8	Very high	95.6	Very high	13 Å²	13	40 Å²	40	7%	0.07	23%	0.227	C	C	.	.	S	Bend	trans	-95	-19.9	-173.9	-54.7	-69.9	0	0	0	113.5	R26 L336 K343 Q355	R26-D357 HydrophobicContact CB-CB 4.15Å; R26-D357 WeakPolarHBondContact CB-OD1 3.34Å; R26-D357 IonicContact NE-OD1 2.65Å; R26-D357 PolarHBondContact NE-OD1 2.92Å; R26-D357 VanDerWaalsContact NE-OD1 3.1Å; L336-D357 HydrophobicContact CD1-CB 4.47Å; L336-D357 HydrophobicContact CD2-CB 4.42Å; K343-D357 IonicContact NZ-OD2 3.05Å; K343-D357 PolarHBondContact NZ-OD2 3.31Å; Q355-D357 PolarHBondContact NE2-OD1 3.36Å; Q355-D357 PolarHBondContact OE1-OD1 2.62Å
358	L	91.6	Very high	95.7	Very high	10 Å²	10	41 Å²	41	5%	0.052	22%	0.216	C	C	.	.	S	Bend	trans	-116.1	140.4	-175.7	179	63	0	0	0	109.7	I27 F252 L336 R356 T362 A363 M366	I27-L358 HydrophobicContact CD1-CB 4.39Å; I27-L358 HydrophobicContact CD1-CD1 3.98Å; F252-L358 HydrophobicContact CD1-CD2 4.32Å; F252-L358 HydrophobicContact CE1-CD2 3.63Å; F252-L358 HydrophobicContact CE2-CD2 4.42Å; F252-L358 HydrophobicContact CZ-CD2 3.68Å; L336-L358 HydrophobicContact CD1-CB 4.49Å; R356-L358 PolarHBondContact NE-O 3.28Å; R356-L358 PolarHBondContact NH2-O 3.26Å; L358-T362 HydrophobicContact CD1-CG2 3.71Å; L358-A363 HydrophobicContact CD2-CB 3.73Å; L358-A363 HydrophobicContact CG-CB 4.22Å; L358-M366 HydrophobicContact CD1-SD 4.44Å; L358-M366 HydrophobicContact CD2-SD 4.28Å
359	L	94	Very high	95.7	Very high	13 Å²	13	43.4 Å²	43.4	7%	0.068	23%	0.229	C	C	.	.			trans	-68.2	143.6	174.4	-74.9	167.2	0	0	0	111.6	L5 V22 P24 E361 T362 A363	L5-L359 HydrophobicContact CD2-CD1 4.21Å; V22-L359 HydrophobicContact CG1-CD2 3.57Å; P24-L359 HydrophobicContact CB-CD1 4.48Å; P24-L359 HydrophobicContact CB-CG 4.32Å; P24-L359 HydrophobicContact CG-CD1 4.27Å; P24-L359 HydrophobicContact CG-CD2 4.01Å; P24-L359 HydrophobicContact CG-CG 3.98Å; L359-E361 PolarHBondContact O-N 2.84Å; L359-T362 PolarHBondContact O-N 2.73Å; L359-A363 PolarHBondContact O-N 3.32Å
360	P	96.2	Very high	95.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-54.1	-38.8	170.8	-31.2	40	0	0	0	113.6	R232 V244 A248 A363 A364	R232-P360 HydrophobicContact CG-CB 4.28Å; V244-P360 HydrophobicContact CG1-CB 3.75Å; A248-P360 HydrophobicContact CB-CG 4.45Å; P360-A363 PolarHBondContact O-N 3.29Å; P360-A364 WeakPolarHBondContact O-CB 3.36Å; P360-A364 PolarHBondContact O-N 2.79Å
361	E	95.5	Very high	95.8	Very high	13 Å²	13	39.1 Å²	39.1	6%	0.061	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-50.1	178.3	-63.9	71	-150.5	0	0	110.9	R11 R232 L359 A363 A364 D365	R11-E361 IonicContact CZ-OE1 2.72Å; R11-E361 IonicContact CZ-OE2 3.63Å; R11-E361 IonicContact NH1-OE1 2.71Å; R11-E361 PolarHBondContact NH1-OE1 3.17Å; R11-E361 IonicContact NH1-OE2 2.87Å; R11-E361 PolarHBondContact NH1-OE2 3.37Å; R11-E361 IonicContact NH2-OE1 3.69Å; R11-E361 PolarHBondContact NH2-OE1 3.02Å; R11-E361 IonicContact NH2-OE2 3.66Å; R11-E361 PolarHBondContact NH2-OE2 3.38Å; R232-E361 WeakPolarHBondContact CD-OE1 3.44Å; R232-E361 HydrophobicContact CG-CG 4.18Å; R232-E361 IonicContact CZ-OE1 3.07Å; R232-E361 IonicContact NE-OE1 3.87Å; R232-E361 IonicContact NH1-OE1 3.87Å; R232-E361 PolarHBondContact NH1-OE1 2.92Å; L359-E361 PolarHBondContact O-N 2.84Å; E361-A363 VanDerWaalsContact C-N 3.33Å; E361-A363 PolarHBondContact O-N 3.45Å; E361-A364 WeakPolarHBondContact O-CB 3.4Å; E361-A364 PolarHBondContact O-N 3.39Å; E361-A364 VanDerWaalsContact O-N 3.1Å; E361-D365 PolarHBondContact O-N 3.45Å
362	T	94.2	Very high	95.7	Very high	56 Å²	56	35.2 Å²	35.2	34%	0.344	20%	0.195	S	C	.	.	H	α-helix	trans	-62.9	-38.6	177.1	-49.8	0	0	0	0	112.2	L358 L359 A364 D365 M366	L358-T362 HydrophobicContact CD1-CG2 3.71Å; L359-T362 PolarHBondContact O-N 2.73Å; T362-A364 VanDerWaalsContact C-N 3.29Å; T362-A364 PolarHBondContact O-N 3.21Å; T362-D365 PolarHBondContact O-N 2.9Å; T362-M366 HydrophobicContact CG2-SD 4.35Å; T362-M366 VanDerWaalsContact O-CG 3.26Å; T362-M366 WeakPolarHBondContact O-CG 3.46Å; T362-M366 PolarHBondContact O-N 2.94Å
363	A	96.5	Very high	95.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-40.5	174.8	0	0	0	0	0	111.6	V244 P251 F252 L358 L359 P360 E361 L367	V244-A363 HydrophobicContact CG1-CB 4.31Å; V244-A363 HydrophobicContact CG2-CB 4.28Å; P251-A363 VanDerWaalsContact O-CB 3.32Å; P251-A363 WeakPolarHBondContact O-CB 3.16Å; F252-A363 HydrophobicContact CD1-CB 3.91Å; F252-A363 HydrophobicContact CE1-CB 4.21Å; L358-A363 HydrophobicContact CD2-CB 3.73Å; L358-A363 HydrophobicContact CG-CB 4.22Å; L359-A363 PolarHBondContact O-N 3.32Å; P360-A363 PolarHBondContact O-N 3.29Å; E361-A363 VanDerWaalsContact C-N 3.33Å; E361-A363 PolarHBondContact O-N 3.45Å; A363-L367 WeakPolarHBondContact O-CG 3.44Å; A363-L367 PolarHBondContact O-N 3.28Å; A363-L367 VanDerWaalsContact O-N 3.1Å
364	A	97.6	Very high	95.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.4	-42.1	176.9	0	0	0	0	0	112	I234 V244 P360 E361 T362 L367 R368	I234-A364 HydrophobicContact CG1-CB 4.27Å; V244-A364 HydrophobicContact CB-CB 4.28Å; V244-A364 HydrophobicContact CG2-CB 3.76Å; P360-A364 WeakPolarHBondContact O-CB 3.36Å; P360-A364 PolarHBondContact O-N 2.79Å; E361-A364 WeakPolarHBondContact O-CB 3.4Å; E361-A364 PolarHBondContact O-N 3.39Å; E361-A364 VanDerWaalsContact O-N 3.1Å; T362-A364 VanDerWaalsContact C-N 3.29Å; T362-A364 PolarHBondContact O-N 3.21Å; A364-L367 PolarHBondContact O-N 3.14Å; A364-R368 WeakPolarHBondContact O-CB 3.48Å; A364-R368 WeakPolarHBondContact O-CG 3.37Å; A364-R368 PolarHBondContact O-N 3.43Å
365	D	96.2	Very high	95.6	Very high	50 Å²	50	35.9 Å²	35.9	27%	0.267	18%	0.184	S	C	.	.	H	α-helix	trans	-56	-53.3	173.3	-78.1	-39.5	0	0	0	111.3	E361 T362 L367 R368 E369	E361-D365 PolarHBondContact O-N 3.45Å; T362-D365 PolarHBondContact O-N 2.9Å; D365-L367 VanDerWaalsContact C-N 3.27Å; D365-L367 PolarHBondContact O-N 2.82Å; D365-R368 WeakPolarHBondContact O-CB 3.23Å; D365-R368 PolarHBondContact O-N 3.27Å; D365-R368 IonicContact OD1-CZ 3.38Å; D365-R368 IonicContact OD1-NE 3.75Å; D365-R368 IonicContact OD1-NH2 3.42Å; D365-R368 PolarHBondContact OD1-NH2 3.49Å; D365-E369 WeakPolarHBondContact O-CG 3.41Å; D365-E369 PolarHBondContact O-N 3.23Å
366	M	96.7	Very high	95.5	Very high	60 Å²	60	39.5 Å²	39.5	30%	0.296	21%	0.207	S	C	.	.	H	α-helix	trans	-56.7	-42.6	179.8	-69.2	174.6	69.1	0	0	111.6	F252 L291 L358 T362 E369 T370	F252-M366 HydrophobicContact CE1-CB 4.27Å; F252-M366 HydrophobicContact CE1-CE 4Å; F252-M366 HydrophobicContact CE1-SD 3.9Å; F252-M366 HydrophobicContact CZ-CE 3.81Å; F252-M366 HydrophobicContact CZ-SD 4.12Å; L291-M366 HydrophobicContact CD1-CB 4.03Å; L291-M366 HydrophobicContact CD1-CE 4.33Å; L358-M366 HydrophobicContact CD1-SD 4.44Å; L358-M366 HydrophobicContact CD2-SD 4.28Å; T362-M366 HydrophobicContact CG2-SD 4.35Å; T362-M366 VanDerWaalsContact O-CG 3.26Å; T362-M366 WeakPolarHBondContact O-CG 3.46Å; T362-M366 PolarHBondContact O-N 2.94Å; M366-E369 PolarHBondContact O-N 3.35Å; M366-T370 WeakPolarHBondContact O-CG2 3.23Å; M366-T370 PolarHBondContact O-N 3.38Å
367	L	97.9	Very high	95.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.7	-38.1	177	-73.5	169.3	0	0	0	112.3	I234 V244 F252 T254 R287 Y288 L291 A363 A364 D365 T370	I234-L367 HydrophobicContact CD1-CB 4.3Å; I234-L367 HydrophobicContact CD1-CD1 3.54Å; I234-L367 HydrophobicContact CG1-CB 4.23Å; I234-L367 HydrophobicContact CG1-CD1 4.3Å; I234-L367 HydrophobicContact CG2-CB 3.97Å; V244-L367 HydrophobicContact CG2-CD1 4.3Å; F252-L367 HydrophobicContact CB-CD1 4.34Å; F252-L367 HydrophobicContact CD1-CD1 4.34Å; F252-L367 HydrophobicContact CD1-CG 4.22Å; T254-L367 HydrophobicContact CG2-CD1 4.07Å; R287-L367 PolarHBondContact NH1-O 3.39Å; Y288-L367 HydrophobicContact CD1-CD2 3.79Å; Y288-L367 HydrophobicContact CE1-CD1 4.25Å; Y288-L367 HydrophobicContact CE1-CD2 4.05Å; L291-L367 HydrophobicContact CD1-CD2 4.41Å; L291-L367 HydrophobicContact CD2-CD2 4.13Å; A363-L367 WeakPolarHBondContact O-CG 3.44Å; A363-L367 PolarHBondContact O-N 3.28Å; A363-L367 VanDerWaalsContact O-N 3.1Å; A364-L367 PolarHBondContact O-N 3.14Å; D365-L367 VanDerWaalsContact C-N 3.27Å; D365-L367 PolarHBondContact O-N 2.82Å; L367-T370 PolarHBondContact O-N 2.7Å; L367-T370 PolarHBondContact O-OG1 3.12Å
368	R	97.1	Very high	95	Very high	65 Å²	65	48.9 Å²	48.9	25%	0.245	24%	0.244	C	C	.	.	H	α-helix	trans	-64.9	-37.6	176.3	-79.1	-170.9	-67.9	-93.5	4.8	112.7	S231 V233 I234 R287 A364 D365 T370	S231-R368 VanDerWaalsContact O-CZ 3.29Å; S231-R368 PolarHBondContact O-NH1 3.3Å; S231-R368 PolarHBondContact O-NH2 3.42Å; V233-R368 WeakPolarHBondContact O-CD 3.37Å; V233-R368 PolarHBondContact O-NH1 2.98Å; I234-R368 HydrophobicContact CG2-CG 4.4Å; R287-R368 VanDerWaalsContact NH1-C 3.31Å; R287-R368 PolarHBondContact NH1-O 3.3Å; A364-R368 WeakPolarHBondContact O-CB 3.48Å; A364-R368 WeakPolarHBondContact O-CG 3.37Å; A364-R368 PolarHBondContact O-N 3.43Å; D365-R368 WeakPolarHBondContact O-CB 3.23Å; D365-R368 PolarHBondContact O-N 3.27Å; D365-R368 IonicContact OD1-CZ 3.38Å; D365-R368 IonicContact OD1-NE 3.75Å; D365-R368 IonicContact OD1-NH2 3.42Å; D365-R368 PolarHBondContact OD1-NH2 3.49Å; R368-T370 PolarHBondContact O-N 2.77Å
369	E	96.5	Very high	93.7	Very high	162 Å²	162	55.2 Å²	55.2	76%	0.757	28%	0.283	S	S	*	.	H	α-helix	trans	-69.9	-20.4	-179.5	-72.3	176.8	172.5	0	0	113.3	D365 M366	D365-E369 WeakPolarHBondContact O-CG 3.41Å; D365-E369 PolarHBondContact O-N 3.23Å; M366-E369 PolarHBondContact O-N 3.35Å
370	T	96.9	Very high	91.7	Very high	21 Å²	21	66.3 Å²	66.3	13%	0.129	34%	0.341	C	S	.	.	S	Bend	trans	-67.4	150.3	174.5	65.6	0	0	0	0	112.3	R287 N290 L291 M366 L367 R368	R287-T370 WeakPolarHBondContact CA-OG1 3.43Å; R287-T370 VanDerWaalsContact CB-OG1 3.23Å; R287-T370 WeakPolarHBondContact CB-OG1 3.5Å; R287-T370 VanDerWaalsContact CG-OG1 3.23Å; R287-T370 WeakPolarHBondContact CG-OG1 3.47Å; R287-T370 PolarHBondContact NH1-O 3.49Å; N290-T370 HydrophobicContact CB-CG2 4.38Å; L291-T370 HydrophobicContact CB-CG2 4.34Å; L291-T370 HydrophobicContact CD1-CG2 3.97Å; M366-T370 WeakPolarHBondContact O-CG2 3.23Å; M366-T370 PolarHBondContact O-N 3.38Å; L367-T370 PolarHBondContact O-N 2.7Å; L367-T370 PolarHBondContact O-OG1 3.12Å; R368-T370 PolarHBondContact O-N 2.77Å
371	S	96	Very high	91.5	Very high	47 Å²	47	69.6 Å²	69.6	33%	0.329	36%	0.359	S	S	.	.			trans	-68.6	151.2	173.7	177.3	0	0	0	0	111.6	N290 I373	N290-S371 PolarHBondContact ND2-O 2.76Å; S371-I373 VanDerWaalsContact C-N 3.26Å; S371-I373 PolarHBondContact OG-N 3.18Å
372	T	95.5	Very high	91.3	Very high	76 Å²	76	72.6 Å²	72.6	47%	0.466	37%	0.374	S	S	.	.	S	Bend	trans	-83.2	-0.7	169.3	55.6	0	0	0	0	113.1	V286	V286-T372 WeakPolarHBondContact CG1-O 3.39Å
373	I	95.7	Very high	91.1	Very high	95 Å²	95	73.5 Å²	73.5	49%	0.487	38%	0.376	S	S	.	.	S	Bend	trans	-101.8	121.6	172.8	-57.1	175.7	0	0	0	108.4	N290 S371 Y375 K377 R378	N290-I373 PolarHBondContact ND2-O 3.28Å; S371-I373 VanDerWaalsContact C-N 3.26Å; S371-I373 PolarHBondContact OG-N 3.18Å; I373-Y375 PolarHBondContact O-N 3.38Å; I373-K377 HydrophobicContact CG2-CB 4.17Å; I373-R378 HydrophobicContact CG2-CG 4.06Å; I373-R378 PolarHBondContact O-NE 2.93Å; I373-R378 PolarHBondContact O-NH2 3.37Å
374	H	96.5	Very high	90.8	Very high	7 Å²	7	77.8 Å²	77.8	3%	0.032	40%	0.398	C	S	.	.			trans	-55.8	136.8	179.8	-166.3	-84.4	0	0	0	111.3	L133 V286 D289 T376 K377 R378	L133-H374 HydrophobicContact CD2-CB 4.39Å; V286-H374 HydrophobicContact CG1-CB 4.1Å; V286-H374 HydrophobicContact CG2-CB 4.22Å; D289-H374 VanDerWaalsContact CB-NE2 3.27Å; D289-H374 WeakPolarHBondContact CB-NE2 3.46Å; D289-H374 IonicContact OD2-CD2 2.63Å; D289-H374 IonicContact OD2-NE2 2.74Å; D289-H374 PolarHBondContact OD2-NE2 3.12Å; H374-T376 PolarHBondContact CE1-OG1 2.86Å; H374-T376 PolarHBondContact ND1-N 2.89Å; H374-T376 PolarHBondContact ND1-OG1 2.76Å; H374-T376 PolarHBondContact O-N 3.43Å; H374-T376 VanDerWaalsContact O-N 3.12Å; H374-K377 HydrophobicContact CB-CG 4.48Å; H374-K377 WeakPolarHBondContact O-CA 3.4Å; H374-K377 PolarHBondContact O-N 3.4Å; H374-R378 PolarHBondContact O-N 2.78Å
375	Y	95.1	Very high	90.4	Very high	53 Å²	53	82.7 Å²	82.7	21%	0.208	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-57.1	-32.7	-172.3	70.2	-90.8	0	0	0	113.1	D289 N290 N293 I373 K377 R378	D289-Y375 HydrophobicContact CB-CE1 4.19Å; N290-Y375 WeakPolarHBondContact OD1-CB 3.37Å; N290-Y375 PolarHBondContact OD1-N 2.95Å; N293-Y375 HydrophobicContact CB-CD1 4.37Å; N293-Y375 HydrophobicContact CB-CD2 4.29Å; N293-Y375 HydrophobicContact CB-CG 4.13Å; N293-Y375 WeakPolarHBondContact OD1-CB 3.42Å; I373-Y375 PolarHBondContact O-N 3.38Å; Y375-K377 PolarHBondContact O-N 3.33Å; Y375-R378 PolarHBondContact O-N 3.49Å
376	T	92.6	Very high	90	Very high	85 Å²	85	84.9 Å²	84.9	52%	0.521	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-70.3	-14.6	175.2	62.9	0	0	0	0	114.6	H374	H374-T376 PolarHBondContact CE1-OG1 2.86Å; H374-T376 PolarHBondContact ND1-N 2.89Å; H374-T376 PolarHBondContact ND1-OG1 2.76Å; H374-T376 PolarHBondContact O-N 3.43Å; H374-T376 VanDerWaalsContact O-N 3.12Å
377	K	90.6	Very high	89.5	Confident	109 Å²	109	86.6 Å²	86.6	47%	0.474	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-104.4	-1	179.3	-62.1	-176.6	-179.4	176.9	0	112.6	L133 I373 H374 Y375 T379	L133-K377 PolarHBondContact O-NZ 2.83Å; I373-K377 HydrophobicContact CG2-CB 4.17Å; H374-K377 HydrophobicContact CB-CG 4.48Å; H374-K377 WeakPolarHBondContact O-CA 3.4Å; H374-K377 PolarHBondContact O-N 3.4Å; Y375-K377 PolarHBondContact O-N 3.33Å; K377-T379 PolarHBondContact O-N 3.43Å
378	R	85.7	Confident	88.8	Confident	105 Å²	105	93.3 Å²	93.3	40%	0.396	48%	0.477	S	S	.	.			trans	-78.4	114.3	177.7	-61.5	179.6	-166.7	164.1	6.1	108.3	N290 I373 H374 Y375 L380	N290-R378 PolarHBondContact ND2-NH2 3.01Å; N290-R378 PolarHBondContact OD1-NH2 2.82Å; I373-R378 HydrophobicContact CG2-CG 4.06Å; I373-R378 PolarHBondContact O-NE 2.93Å; I373-R378 PolarHBondContact O-NH2 3.37Å; H374-R378 PolarHBondContact O-N 2.78Å; Y375-R378 PolarHBondContact O-N 3.49Å; R378-L380 PolarHBondContact O-N 3.02Å
379	T	65.6	Low	88.2	Confident	142 Å²	142	95.7 Å²	95.7	87%	0.871	50%	0.497	S	S	*	.			trans	-63.2	127.7	165.4	0.3	0	0	0	0	108.2	K377	K377-T379 PolarHBondContact O-N 3.43Å
380	L	51.4	Low	87.4	Confident	246 Å²	246	89.6 Å²	89.6	100%	1.288	47%	0.473	S	S	*	.			trans	-60.9	0	175.3	-80.7	165.3	0	0	0	112	R378	R378-L380 PolarHBondContact O-N 3.02Å

Retrieved 380 of 380 residues in 83 ms (Link to these results)

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