C4PXA6_SCHMA Loading...

dTMP kinase

AlphaFold DB , UniProt , Accession C4PXA6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 222 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	38.8	Very low	75.2	Confident	226 Å²	226	81.1 Å²	81.1	100%	1.113	44%	0.443	S	S	*	.				0	126.5	0	-68.4	-65.8	-178.2	0	0	106.3	D3	M1-D3 PolarHBondContact O-N 3.26Å
2	P	47.5	Very low	77.1	Confident	106 Å²	106	74.3 Å²	74.3	69%	0.688	41%	0.406	S	S	*	.			trans	-56	133	171.6	23	-30.2	0	0	0	108.3	S4	P2-S4 PolarHBondContact O-N 3.15Å
3	D	51.7	Low	78.8	Confident	109 Å²	109	68.6 Å²	68.6	58%	0.583	38%	0.375	S	S	*	.			trans	-61.7	107.8	-176.8	-173.5	-8.2	0	0	0	109.2	M1 S5 K6	M1-D3 PolarHBondContact O-N 3.26Å; D3-S5 PolarHBondContact O-N 3.29Å; D3-S5 VanDerWaalsContact OD1-CB 3.27Å; D3-S5 WeakPolarHBondContact OD1-CB 3.36Å; D3-S5 PolarHBondContact OD1-N 3.36Å; D3-S5 PolarHBondContact OD1-OG 2.77Å; D3-S5 PolarHBondContact OD2-OG 3Å; D3-S5 VanDerWaalsContact OD2-OG 3.05Å; D3-K6 PolarHBondContact O-N 2.95Å; D3-K6 VanDerWaalsContact O-N 3.15Å
4	S	55.7	Low	80.2	Confident	115 Å²	115	63.7 Å²	63.7	80%	0.804	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-7.8	-178.5	59.1	0	0	0	0	113	P2	P2-S4 PolarHBondContact O-N 3.15Å
5	S	63	Low	81.1	Confident	95 Å²	95	59.5 Å²	59.5	66%	0.664	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-17.9	176.1	76.1	0	0	0	0	113.9	D3	D3-S5 PolarHBondContact O-N 3.29Å; D3-S5 VanDerWaalsContact OD1-CB 3.27Å; D3-S5 WeakPolarHBondContact OD1-CB 3.36Å; D3-S5 PolarHBondContact OD1-N 3.36Å; D3-S5 PolarHBondContact OD1-OG 2.77Å; D3-S5 PolarHBondContact OD2-OG 3Å; D3-S5 VanDerWaalsContact OD2-OG 3.05Å
6	K	87.1	Confident	81.7	Confident	108 Å²	108	55.8 Å²	55.8	47%	0.47	31%	0.305	S	S	.	.	S	Bend	trans	-83.5	130.6	-177.8	-164.7	174.1	174.3	-176.8	0	110.7	D3 K221 L222	D3-K6 PolarHBondContact O-N 2.95Å; D3-K6 VanDerWaalsContact O-N 3.15Å; K6-K221 PolarHBondContact NZ-O 2.76Å; K6-L222 PolarHBondContact NZ-O 3.35Å
7	R	94.1	Very high	82.1	Confident	116 Å²	116	56.1 Å²	56.1	44%	0.438	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-63.9	157.4	171.7	69.9	165.2	-177	83.3	-4.5	110.9	L90 D135	R7-L90 CarbonylContact C-O 3.55Å; R7-L90 WeakPolarHBondContact CA-O 3.37Å; R7-L90 VanDerWaalsContact CB-O 3.24Å; R7-L90 WeakPolarHBondContact CB-O 3.4Å; R7-D135 IonicContact CZ-OD1 2.73Å; R7-D135 IonicContact CZ-OD2 3.25Å; R7-D135 IonicContact NH1-OD1 2.7Å; R7-D135 IonicContact NH1-OD2 3.82Å; R7-D135 PolarHBondContact NH1-OD2 2.85Å; R7-D135 VanDerWaalsContact NH2-CG 3.3Å; R7-D135 IonicContact NH2-OD1 2.77Å; R7-D135 PolarHBondContact NH2-OD1 3.09Å; R7-D135 IonicContact NH2-OD2 2.82Å; R7-D135 PolarHBondContact NH2-OD2 3.26Å
8	G	96.1	Very high	82.1	Confident	4 Å²	4	55.4 Å²	55.4	4%	0.041	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-63	159.5	171.3	0	0	0	0	0	111.8	L90	G8-L90 PolarHBondContact N-O 2.78Å; G8-L90 VanDerWaalsContact O-CD2 3.26Å; G8-L90 WeakPolarHBondContact O-CD2 3.42Å
9	L	96.5	Very high	82.5	Confident	12 Å²	12	52.7 Å²	52.7	6%	0.063	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-77.4	141.3	172.8	-66.9	179	0	0	0	110.3	V11 L32 L90 S95 V96 I218 K221 L222	L9-V11 HydrophobicContact CB-CG2 4.37Å; L9-L32 HydrophobicContact CD1-CD2 4.16Å; L9-L90 WeakPolarHBondContact O-CD2 3.32Å; L9-S95 PolarHBondContact N-OG 2.83Å; L9-S95 CarbonylContact O-C 3.59Å; L9-S95 WeakPolarHBondContact O-CA 3.44Å; L9-S95 WeakPolarHBondContact O-CB 3.49Å; L9-V96 PolarHBondContact O-N 2.84Å; L9-I218 HydrophobicContact CD1-CG2 3.66Å; L9-K221 HydrophobicContact CD2-CB 4.18Å; L9-L222 HydrophobicContact CD1-CD2 3.58Å; L9-L222 HydrophobicContact CD1-CG 4.06Å; L9-L222 HydrophobicContact CG-CD2 4.48Å
10	F	97.9	Very high	82.9	Confident	1 Å²	1	51.5 Å²	51.5	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	110.8	171.1	-174.7	-168.2	0	0	0	109.3	V12 I86 L90 V96 V98 Y101 L132 Q133 P134 D135	F10-V12 HydrophobicContact CD2-CG2 4.4Å; F10-V12 HydrophobicContact CE2-CG2 3.73Å; F10-V12 HydrophobicContact CZ-CG2 4.07Å; F10-I86 HydrophobicContact CD1-CG2 4.36Å; F10-I86 HydrophobicContact CE1-CG2 4.15Å; F10-I86 HydrophobicContact CZ-CG2 4.26Å; F10-L90 HydrophobicContact CB-CD1 3.91Å; F10-L90 HydrophobicContact CB-CD2 3.8Å; F10-L90 HydrophobicContact CD1-CD1 4.12Å; F10-L90 HydrophobicContact CG-CD1 4.16Å; F10-V96 CarbonylContact C-O 3.55Å; F10-V96 WeakPolarHBondContact CA-O 3.38Å; F10-V96 HydrophobicContact CD2-CB 4.16Å; F10-V96 HydrophobicContact CD2-CG1 4.28Å; F10-V96 HydrophobicContact CE2-CG1 4.43Å; F10-V98 HydrophobicContact CD2-CG2 4.35Å; F10-V98 HydrophobicContact CE2-CB 4.22Å; F10-V98 HydrophobicContact CE2-CG2 3.52Å; F10-V98 HydrophobicContact CZ-CG2 4.35Å; F10-Y101 HydrophobicContact CE1-CE1 4.31Å; F10-Y101 HydrophobicContact CZ-CD1 4.35Å; F10-Y101 AromaticContact CZ-CE1 3.94Å; F10-Y101 HydrophobicContact CZ-CE1 3.94Å; F10-Y101 HydrophobicContact CZ-CE2 4.28Å; F10-Y101 AromaticContact CZ-CZ 3.87Å; F10-L132 HydrophobicContact CD1-CB 4.36Å; F10-L132 HydrophobicContact CE1-CB 3.89Å; F10-L132 WeakPolarHBondContact CE1-O 3.39Å; F10-Q133 WeakPolarHBondContact CD1-O 3.4Å; F10-P134 HydrophobicContact CD1-CB 4.11Å; F10-P134 HydrophobicContact CD2-CB 4.34Å; F10-P134 HydrophobicContact CE1-CB 4.37Å; F10-P134 HydrophobicContact CG-CB 4.08Å; F10-P134 CarbonylContact O-C 3.5Å; F10-P134 WeakPolarHBondContact O-CA 3.27Å; F10-P134 WeakPolarHBondContact O-CB 3.39Å; F10-D135 PolarHBondContact N-OD2 3.01Å; F10-D135 WeakPolarHBondContact O-CB 3.47Å; F10-D135 PolarHBondContact O-N 3.03Å
11	V	98.6	Very high	83.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.3	-176.5	-176.2	0	0	0	0	110.5	L9 F13 L28 V96 V97 V98 F136 F138 I218	L9-V11 HydrophobicContact CB-CG2 4.37Å; V11-F13 HydrophobicContact CG1-CE2 4.24Å; V11-L28 HydrophobicContact CB-CD2 3.92Å; V11-L28 HydrophobicContact CG1-CD2 3.57Å; V11-L28 HydrophobicContact CG2-CD2 4.14Å; V11-V96 PolarHBondContact N-O 2.81Å; V11-V97 CarbonylContact O-C 3.57Å; V11-V97 WeakPolarHBondContact O-CA 3.43Å; V11-V98 PolarHBondContact O-N 3.09Å; V11-F136 HydrophobicContact CG1-CB 4.3Å; V11-F136 HydrophobicContact CG2-CD2 4.19Å; V11-F138 HydrophobicContact CG1-CD2 3.55Å; V11-F138 HydrophobicContact CG1-CE2 3.58Å; V11-I218 HydrophobicContact CG2-CD1 4.33Å
12	V	98.8	Very high	86.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.8	178.8	176.1	0	0	0	0	110.3	F10 E14 V98 Y101 Y103 P134 F136 I137 F138	F10-V12 HydrophobicContact CD2-CG2 4.4Å; F10-V12 HydrophobicContact CE2-CG2 3.73Å; F10-V12 HydrophobicContact CZ-CG2 4.07Å; V12-E14 HydrophobicContact CG1-CG 3.89Å; V12-V98 CarbonylContact C-O 3.42Å; V12-V98 WeakPolarHBondContact CA-O 3.45Å; V12-V98 HydrophobicContact CG2-CB 4.24Å; V12-Y101 HydrophobicContact CG2-CD1 4.18Å; V12-Y101 HydrophobicContact CG2-CG 4.25Å; V12-Y103 HydrophobicContact CB-CE2 4.49Å; V12-Y103 HydrophobicContact CG1-CD2 4.12Å; V12-Y103 HydrophobicContact CG1-CE2 4.24Å; V12-P134 HydrophobicContact CB-CB 4.35Å; V12-P134 HydrophobicContact CB-CG 4.4Å; V12-P134 HydrophobicContact CG2-CB 3.68Å; V12-P134 HydrophobicContact CG2-CG 3.92Å; V12-F136 PolarHBondContact N-O 2.69Å; V12-I137 CarbonylContact O-C 3.53Å; V12-I137 WeakPolarHBondContact O-CA 3.38Å; V12-F138 PolarHBondContact O-N 3.02Å
13	F	98.7	Very high	88.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	123.9	169	-75.2	-88	0	0	0	110.4	V11 K21 Q24 L28 V97 V98 R100 F138 L140 I214	V11-F13 HydrophobicContact CG1-CE2 4.24Å; F13-K21 HydrophobicContact CB-CB 4.35Å; F13-Q24 HydrophobicContact CD1-CB 4.16Å; F13-Q24 HydrophobicContact CE1-CB 3.59Å; F13-Q24 HydrophobicContact CZ-CB 4.02Å; F13-L28 HydrophobicContact CE2-CB 4.17Å; F13-L28 HydrophobicContact CE2-CD2 3.67Å; F13-L28 HydrophobicContact CZ-CB 4.22Å; F13-L28 HydrophobicContact CZ-CD2 3.91Å; F13-V97 HydrophobicContact CD2-CG1 3.8Å; F13-V97 HydrophobicContact CE2-CG1 3.65Å; F13-V98 PolarHBondContact N-O 2.86Å; F13-R100 WeakPolarHBondContact O-CA 3.31Å; F13-R100 PolarHBondContact O-N 2.94Å; F13-F138 WeakPolarHBondContact CA-O 3.29Å; F13-F138 HydrophobicContact CD1-CB 3.82Å; F13-F138 HydrophobicContact CE1-CB 3.82Å; F13-F138 HydrophobicContact CE1-CD2 4.31Å; F13-F138 HydrophobicContact CE1-CG 4.27Å; F13-F138 HydrophobicContact CZ-CD2 4.28Å; F13-L140 HydrophobicContact CD1-CD1 3.71Å; F13-L140 HydrophobicContact CE1-CD1 4.17Å; F13-I214 HydrophobicContact CE1-CD1 3.69Å; F13-I214 HydrophobicContact CE1-CG1 4.5Å; F13-I214 HydrophobicContact CZ-CD1 4.1Å; F13-I214 HydrophobicContact CZ-CG2 4.3Å
14	E	98.1	Very high	90.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	169.1	177.4	-69.4	-63.8	174.4	0	0	110.8	V12 K21 Y101 Y103 S104 I137 F138 C139 L140 Y172	V12-E14 HydrophobicContact CG1-CG 3.89Å; E14-K21 VanDerWaalsContact O-CD 3.31Å; E14-K21 WeakPolarHBondContact O-CD 3.48Å; E14-Y101 PolarHBondContact OE1-N 3.44Å; E14-Y103 HydrophobicContact CG-CD2 3.9Å; E14-Y103 HydrophobicContact CG-CG 4.34Å; E14-Y103 WeakPolarHBondContact OE1-CB 3.35Å; E14-Y103 WeakPolarHBondContact OE1-CD2 3.07Å; E14-S104 VanDerWaalsContact CD-N 3.31Å; E14-S104 PolarHBondContact OE1-N 3.17Å; E14-S104 WeakPolarHBondContact OE2-CA 3.25Å; E14-S104 WeakPolarHBondContact OE2-CB 3.45Å; E14-S104 PolarHBondContact OE2-N 3.47Å; E14-S104 PolarHBondContact OE2-OG 3.06Å; E14-I137 HydrophobicContact CB-CG2 4.2Å; E14-I137 HydrophobicContact CG-CG2 3.77Å; E14-F138 PolarHBondContact N-O 2.96Å; E14-C139 HydrophobicContact CB-CB 4.41Å; E14-C139 CarbonylContact O-C 3.54Å; E14-C139 WeakPolarHBondContact O-CA 3.47Å; E14-L140 PolarHBondContact O-N 3.4Å; E14-Y172 HydrophobicContact CB-CE1 3.89Å; E14-Y172 HydrophobicContact CG-CE1 4.18Å; E14-Y172 PolarHBondContact OE2-OH 2.97Å
15	G	94.3	Very high	92.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.4	171.5	176.8	0	0	0	0	0	114.2	R100 L140 Y172	G15-R100 PolarHBondContact O-NH1 3.28Å; G15-R100 PolarHBondContact O-NH2 3.38Å; G15-L140 VanDerWaalsContact CA-O 3.25Å; G15-L140 WeakPolarHBondContact CA-O 3.44Å; G15-Y172 PolarHBondContact N-OH 2.93Å
16	V	90.8	Very high	94.5	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	15%	0.147	C	C	.	.	S	Bend	trans	-69.5	169.4	179.4	-63.8	0	0	0	0	111.3	C19 K21 P142 F145 I148 Q165 I168 L169	V16-C19 WeakPolarHBondContact CG2-SG 3.33Å; V16-K21 PolarHBondContact O-NZ 2.93Å; V16-P142 HydrophobicContact CG2-CG 4.32Å; V16-F145 HydrophobicContact CB-CE1 4.47Å; V16-F145 HydrophobicContact CG1-CE1 4.31Å; V16-F145 HydrophobicContact CG1-CZ 4.24Å; V16-F145 HydrophobicContact CG2-CE1 4.14Å; V16-I148 HydrophobicContact CG2-CD1 4.15Å; V16-Q165 HydrophobicContact CB-CB 4.43Å; V16-Q165 HydrophobicContact CG1-CB 4.31Å; V16-Q165 WeakPolarHBondContact CG1-O 3.2Å; V16-I168 HydrophobicContact CG1-CB 4.42Å; V16-I168 HydrophobicContact CG1-CG2 4.1Å; V16-L169 HydrophobicContact CG1-CB 4.26Å
17	E	87.2	Confident	95	Very high	60 Å²	60	27.5 Å²	27.5	28%	0.28	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	149.2	177.9	-67.5	-55.7	147.6	0	0	112	C19 R100 F154	E17-C19 VanDerWaalsContact C-N 3.28Å; E17-C19 PolarHBondContact O-N 2.78Å; E17-R100 IonicContact OE1-CZ 3.13Å; E17-R100 IonicContact OE1-NE 3.67Å; E17-R100 IonicContact OE1-NH2 3.92Å; E17-R100 PolarHBondContact OE1-NH2 3.08Å; E17-R100 IonicContact OE2-NH2 3.75Å; E17-F154 HydrophobicContact CB-CE1 4.44Å
18	K	83.2	Confident	95.2	Very high	45 Å²	45	22 Å²	22	20%	0.196	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	21.3	173.4	-56.7	172.8	174.8	174.8	0	116.3	E152 A153	K18-E152 HydrophobicContact CD-CB 3.96Å; K18-E152 WeakPolarHBondContact CD-O 3.31Å; K18-E152 WeakPolarHBondContact CE-OE2 3.38Å; K18-E152 VanDerWaalsContact NZ-CB 3.32Å; K18-E152 PolarHBondContact NZ-O 2.95Å; K18-E152 IonicContact NZ-OE2 3.63Å; K18-A153 VanDerWaalsContact NZ-C 3.31Å; K18-A153 PolarHBondContact NZ-O 3.24Å
19	C	88.6	Confident	95.3	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.02	12%	0.118	C	C	.	.	S	Bend	trans	-89.9	2.3	176	-71.6	0	0	0	0	115.7	V16 E17 L140 A202	V16-C19 WeakPolarHBondContact CG2-SG 3.33Å; E17-C19 VanDerWaalsContact C-N 3.28Å; E17-C19 PolarHBondContact O-N 2.78Å; C19-L140 HydrophobicContact CB-CB 3.82Å; C19-L140 VanDerWaalsContact O-CD2 3.24Å; C19-L140 WeakPolarHBondContact O-CD2 3.5Å; C19-A202 HydrophobicContact CB-CB 3.55Å; C19-A202 VanDerWaalsContact SG-CB 3.57Å
20	G	91.3	Very high	95.4	Very high	28 Å²	28	27.3 Å²	27.3	29%	0.289	14%	0.138	S	C	.	.	S	Bend	trans	86.1	13.8	177.6	0	0	0	0	0	115.6	K22 T23 Q24	G20-K22 PolarHBondContact O-N 2.88Å; G20-T23 PolarHBondContact O-N 3.38Å; G20-Q24 PolarHBondContact O-N 3.04Å
21	K	95.1	Very high	95.4	Very high	11 Å²	11	27.8 Å²	27.8	5%	0.048	14%	0.143	C	C	.	.	H	α-helix	trans	-51.3	-50.5	179.1	-60.9	-175.3	-57.3	-64.1	0	113	F13 E14 V16 T23 Q24 S25 D99 R100 L140	F13-K21 HydrophobicContact CB-CB 4.35Å; E14-K21 VanDerWaalsContact O-CD 3.31Å; E14-K21 WeakPolarHBondContact O-CD 3.48Å; V16-K21 PolarHBondContact O-NZ 2.93Å; K21-T23 PolarHBondContact O-N 3.32Å; K21-Q24 PolarHBondContact O-N 3.01Å; K21-S25 WeakPolarHBondContact O-CB 3.47Å; K21-S25 PolarHBondContact O-N 3Å; K21-S25 PolarHBondContact O-OG 2.71Å; K21-D99 WeakPolarHBondContact CB-OD1 3.24Å; K21-D99 WeakPolarHBondContact CE-OD1 3.38Å; K21-R100 VanDerWaalsContact CE-NH2 3.32Å; K21-L140 HydrophobicContact CG-CB 4.4Å
22	K	95.5	Very high	95.4	Very high	118 Å²	118	27.8 Å²	27.8	51%	0.513	14%	0.143	S	C	.	.	H	α-helix	trans	-53.1	-55	177.3	-178.1	-177.3	170.8	-174.6	0	111.3	G20 Q24 S25 E26	G20-K22 PolarHBondContact O-N 2.88Å; K22-Q24 VanDerWaalsContact C-N 3.34Å; K22-Q24 PolarHBondContact O-N 3.41Å; K22-S25 WeakPolarHBondContact CA-OG 3.36Å; K22-S25 PolarHBondContact O-N 2.88Å; K22-S25 PolarHBondContact O-OG 3.05Å; K22-E26 WeakPolarHBondContact CE-OE1 3.24Å; K22-E26 IonicContact NZ-OE1 3.29Å; K22-E26 WeakPolarHBondContact O-CG 3.17Å; K22-E26 PolarHBondContact O-N 2.83Å
23	T	96.5	Very high	95.3	Very high	61 Å²	61	29 Å²	29	37%	0.374	15%	0.15	S	C	.	.	H	α-helix	trans	-56.2	-46.8	179.2	-55.2	0	0	0	0	111.9	G20 K21 S25 E26 L27 V207	G20-T23 PolarHBondContact O-N 3.38Å; K21-T23 PolarHBondContact O-N 3.32Å; T23-S25 PolarHBondContact O-N 2.94Å; T23-E26 PolarHBondContact O-N 3.3Å; T23-L27 HydrophobicContact CG2-CD1 4.15Å; T23-L27 WeakPolarHBondContact O-CG 3.27Å; T23-L27 PolarHBondContact O-N 2.96Å; T23-V207 HydrophobicContact CG2-CG1 3.67Å
24	Q	98	Very high	95.2	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.028	19%	0.186	C	C	.	.	H	α-helix	trans	-69.8	-33.2	-179.8	-67.3	-59.3	-28.1	0	0	113	F13 G20 K21 K22 L28 L140 V207 T210 H211 I214	F13-Q24 HydrophobicContact CD1-CB 4.16Å; F13-Q24 HydrophobicContact CE1-CB 3.59Å; F13-Q24 HydrophobicContact CZ-CB 4.02Å; G20-Q24 PolarHBondContact O-N 3.04Å; K21-Q24 PolarHBondContact O-N 3.01Å; K22-Q24 VanDerWaalsContact C-N 3.34Å; K22-Q24 PolarHBondContact O-N 3.41Å; Q24-L28 WeakPolarHBondContact O-CB 3.48Å; Q24-L28 PolarHBondContact O-N 3.42Å; Q24-L140 HydrophobicContact CB-CD2 4.47Å; Q24-L140 HydrophobicContact CG-CD2 4Å; Q24-V207 PolarHBondContact NE2-O 3.28Å; Q24-T210 HydrophobicContact CG-CG2 3.94Å; Q24-H211 VanDerWaalsContact OE1-CA 3.26Å; Q24-H211 PolarHBondContact OE1-ND1 2.96Å; Q24-I214 HydrophobicContact CB-CD1 4Å; Q24-I214 HydrophobicContact CG-CD1 4.06Å
25	S	98.5	Very high	95	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-68.5	-38.7	174.9	69.1	0	0	0	0	112.7	K21 K22 T23 Q29	K21-S25 WeakPolarHBondContact O-CB 3.47Å; K21-S25 PolarHBondContact O-N 3Å; K21-S25 PolarHBondContact O-OG 2.71Å; K22-S25 WeakPolarHBondContact CA-OG 3.36Å; K22-S25 PolarHBondContact O-N 2.88Å; K22-S25 PolarHBondContact O-OG 3.05Å; T23-S25 PolarHBondContact O-N 2.94Å; S25-Q29 WeakPolarHBondContact O-CB 3.48Å; S25-Q29 PolarHBondContact O-N 2.95Å
26	E	98.7	Very high	94.9	Very high	67 Å²	67	42.5 Å²	42.5	31%	0.313	22%	0.217	S	C	.	.	H	α-helix	trans	-66.3	-49.4	175.2	-72.1	170.2	155.7	0	0	110.5	K22 T23 L28 Q29 E30 L42	K22-E26 WeakPolarHBondContact CE-OE1 3.24Å; K22-E26 IonicContact NZ-OE1 3.29Å; K22-E26 WeakPolarHBondContact O-CG 3.17Å; K22-E26 PolarHBondContact O-N 2.83Å; T23-E26 PolarHBondContact O-N 3.3Å; E26-L28 VanDerWaalsContact C-N 3.32Å; E26-L28 PolarHBondContact O-N 3.05Å; E26-Q29 PolarHBondContact O-N 2.73Å; E26-Q29 VanDerWaalsContact O-N 3.16Å; E26-E30 PolarHBondContact O-N 3.38Å; E26-L42 HydrophobicContact CG-CD2 3.72Å
27	L	98.6	Very high	95.1	Very high	44 Å²	44	45.7 Å²	45.7	23%	0.23	25%	0.25	C	S	.	.	H	α-helix	trans	-58.9	-42.6	176.8	-70.9	172.3	0	0	0	112.3	T23 E30 A31 V207 H211	T23-L27 HydrophobicContact CG2-CD1 4.15Å; T23-L27 WeakPolarHBondContact O-CG 3.27Å; T23-L27 PolarHBondContact O-N 2.96Å; L27-E30 PolarHBondContact O-N 3.38Å; L27-A31 WeakPolarHBondContact O-CB 3.25Å; L27-A31 PolarHBondContact O-N 2.92Å; L27-V207 HydrophobicContact CD1-CG1 3.53Å; L27-H211 HydrophobicContact CD1-CB 4.15Å
28	L	98.6	Very high	95.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67	-39.2	177.5	-177.8	61.9	0	0	0	112.3	V11 F13 Q24 E26 E30 A31 L32 V97 I214 M215 I218	V11-L28 HydrophobicContact CB-CD2 3.92Å; V11-L28 HydrophobicContact CG1-CD2 3.57Å; V11-L28 HydrophobicContact CG2-CD2 4.14Å; F13-L28 HydrophobicContact CE2-CB 4.17Å; F13-L28 HydrophobicContact CE2-CD2 3.67Å; F13-L28 HydrophobicContact CZ-CB 4.22Å; F13-L28 HydrophobicContact CZ-CD2 3.91Å; Q24-L28 WeakPolarHBondContact O-CB 3.48Å; Q24-L28 PolarHBondContact O-N 3.42Å; E26-L28 VanDerWaalsContact C-N 3.32Å; E26-L28 PolarHBondContact O-N 3.05Å; L28-E30 VanDerWaalsContact C-N 3.3Å; L28-E30 PolarHBondContact O-N 3Å; L28-A31 PolarHBondContact O-N 3.19Å; L28-L32 HydrophobicContact CD1-CD1 4Å; L28-L32 HydrophobicContact CD1-CD2 4.49Å; L28-L32 HydrophobicContact CD1-CG 3.89Å; L28-L32 HydrophobicContact CD2-CD1 4.28Å; L28-L32 HydrophobicContact CG-CD1 3.81Å; L28-L32 HydrophobicContact CG-CG 4.16Å; L28-L32 WeakPolarHBondContact O-CB 3.45Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 3.04Å; L28-V97 HydrophobicContact CB-CG2 4.49Å; L28-V97 HydrophobicContact CD2-CG1 4.23Å; L28-V97 HydrophobicContact CD2-CG2 4.07Å; L28-V97 HydrophobicContact CG-CG2 4.05Å; L28-I214 HydrophobicContact CD1-CG2 4.41Å; L28-I214 HydrophobicContact CD2-CG2 4.38Å; L28-M215 HydrophobicContact CD1-SD 3.66Å; L28-I218 HydrophobicContact CD1-CD1 3.38Å; L28-I218 HydrophobicContact CD2-CD1 3.51Å; L28-I218 HydrophobicContact CG-CD1 4.09Å
29	Q	98.6	Very high	96.2	Very high	23 Å²	23	50.8 Å²	50.8	11%	0.107	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-42.1	176.3	-179.2	-82.4	-29.9	0	0	111	S25 E26 T33 A40 L42 V97	S25-Q29 WeakPolarHBondContact O-CB 3.48Å; S25-Q29 PolarHBondContact O-N 2.95Å; E26-Q29 PolarHBondContact O-N 2.73Å; E26-Q29 VanDerWaalsContact O-N 3.16Å; Q29-T33 PolarHBondContact NE2-OG1 2.84Å; Q29-T33 WeakPolarHBondContact O-CB 3.33Å; Q29-T33 PolarHBondContact O-N 3.29Å; Q29-T33 PolarHBondContact O-OG1 2.78Å; Q29-A40 HydrophobicContact CG-CB 3.94Å; Q29-A40 WeakPolarHBondContact CG-O 3.31Å; Q29-A40 PolarHBondContact NE2-O 3.31Å; Q29-L42 HydrophobicContact CB-CB 4.28Å; Q29-L42 HydrophobicContact CG-CB 3.94Å; Q29-V97 HydrophobicContact CB-CB 4.43Å; Q29-V97 HydrophobicContact CB-CG2 4.23Å
30	E	98.6	Very high	96.6	Very high	105 Å²	105	50.8 Å²	50.8	49%	0.491	27%	0.274	S	S	.	.	H	α-helix	trans	-63.6	-48.7	175.7	-71	179.9	-171.5	0	0	111.5	E26 L27 L28 L32 T33 Q34	E26-E30 PolarHBondContact O-N 3.38Å; L27-E30 PolarHBondContact O-N 3.38Å; L28-E30 VanDerWaalsContact C-N 3.3Å; L28-E30 PolarHBondContact O-N 3Å; E30-L32 PolarHBondContact O-N 3.46Å; E30-T33 WeakPolarHBondContact O-CB 3.25Å; E30-T33 PolarHBondContact O-N 3.36Å; E30-Q34 WeakPolarHBondContact O-CG 3.5Å; E30-Q34 PolarHBondContact O-N 3.16Å
31	A	98	Very high	97	Very high	12 Å²	12	51.3 Å²	51.3	10%	0.099	27%	0.27	C	S	.	.	H	α-helix	trans	-59.3	-48	179.1	0	0	0	0	0	112	L27 L28 T33 Q34 I35 M215	L27-A31 WeakPolarHBondContact O-CB 3.25Å; L27-A31 PolarHBondContact O-N 2.92Å; L28-A31 PolarHBondContact O-N 3.19Å; A31-T33 VanDerWaalsContact C-N 3.28Å; A31-T33 PolarHBondContact O-N 3.37Å; A31-Q34 PolarHBondContact O-N 2.8Å; A31-I35 WeakPolarHBondContact O-CB 3.38Å; A31-I35 WeakPolarHBondContact O-CD1 3.37Å; A31-I35 VanDerWaalsContact O-CG1 3.25Å; A31-I35 WeakPolarHBondContact O-CG1 3.41Å; A31-I35 PolarHBondContact O-N 2.98Å; A31-M215 HydrophobicContact CB-CE 4.13Å; A31-M215 HydrophobicContact CB-SD 3.83Å
32	L	97.2	Very high	97.2	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-35.1	177.4	-70.4	174	0	0	0	112.1	L9 L28 E30 T36 A40 V97 I218 L222	L9-L32 HydrophobicContact CD1-CD2 4.16Å; L28-L32 HydrophobicContact CD1-CD1 4Å; L28-L32 HydrophobicContact CD1-CD2 4.49Å; L28-L32 HydrophobicContact CD1-CG 3.89Å; L28-L32 HydrophobicContact CD2-CD1 4.28Å; L28-L32 HydrophobicContact CG-CD1 3.81Å; L28-L32 HydrophobicContact CG-CG 4.16Å; L28-L32 WeakPolarHBondContact O-CB 3.45Å; L28-L32 VanDerWaalsContact O-CG 3.3Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 3.04Å; E30-L32 PolarHBondContact O-N 3.46Å; L32-T36 WeakPolarHBondContact O-CB 3.3Å; L32-T36 VanDerWaalsContact O-CG2 3.29Å; L32-T36 WeakPolarHBondContact O-CG2 3.39Å; L32-T36 PolarHBondContact O-N 2.76Å; L32-T36 PolarHBondContact O-OG1 2.91Å; L32-A40 HydrophobicContact CB-CB 4.07Å; L32-V97 HydrophobicContact CD1-CG2 3.75Å; L32-I218 HydrophobicContact CD2-CG2 4.4Å; L32-L222 HydrophobicContact CD2-CD1 4.47Å; L32-L222 HydrophobicContact CD2-CD2 3.92Å
33	T	97.7	Very high	97.3	Very high	26 Å²	26	47.8 Å²	47.8	16%	0.16	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-45.6	174.1	-62.3	0	0	0	0	111.4	Q29 E30 A31 G37 K38 A40	Q29-T33 PolarHBondContact NE2-OG1 2.84Å; Q29-T33 WeakPolarHBondContact O-CB 3.33Å; Q29-T33 PolarHBondContact O-N 3.29Å; Q29-T33 PolarHBondContact O-OG1 2.78Å; E30-T33 WeakPolarHBondContact O-CB 3.25Å; E30-T33 PolarHBondContact O-N 3.36Å; A31-T33 VanDerWaalsContact C-N 3.28Å; A31-T33 PolarHBondContact O-N 3.37Å; T33-G37 WeakPolarHBondContact O-CA 3.38Å; T33-G37 PolarHBondContact O-N 3.07Å; T33-K38 WeakPolarHBondContact CA-O 3.16Å; T33-A40 PolarHBondContact OG1-N 2.7Å
34	Q	96.9	Very high	97.4	Very high	159 Å²	159	48.1 Å²	48.1	74%	0.743	25%	0.254	S	S	*	.	H	α-helix	trans	-65.2	-43.8	178.8	-69.7	176	3.6	0	0	112.1	E30 A31	E30-Q34 WeakPolarHBondContact O-CG 3.5Å; E30-Q34 PolarHBondContact O-N 3.16Å; A31-Q34 PolarHBondContact O-N 2.8Å
35	I	93.8	Very high	97.4	Very high	89 Å²	89	48.4 Å²	48.4	46%	0.456	26%	0.255	S	S	.	.	H	α-helix	trans	-68.5	-44.2	-177.5	-68	164.6	0	0	0	111.4	A31 M215 L222	A31-I35 WeakPolarHBondContact O-CB 3.38Å; A31-I35 WeakPolarHBondContact O-CD1 3.37Å; A31-I35 VanDerWaalsContact O-CG1 3.25Å; A31-I35 WeakPolarHBondContact O-CG1 3.41Å; A31-I35 PolarHBondContact O-N 2.98Å; I35-M215 HydrophobicContact CD1-CE 3.56Å; I35-L222 HydrophobicContact CD1-CD1 3.93Å; I35-L222 HydrophobicContact CG2-CD1 4.27Å; I35-L222 HydrophobicContact CG2-CD2 4.4Å
36	T	92.1	Very high	97.4	Very high	34 Å²	34	49.6 Å²	49.6	21%	0.209	26%	0.263	C	S	.	.	H	α-helix	trans	-88.3	-18.6	-174	65.9	0	0	0	0	113.4	L32 K38	L32-T36 WeakPolarHBondContact O-CB 3.3Å; L32-T36 VanDerWaalsContact O-CG2 3.29Å; L32-T36 WeakPolarHBondContact O-CG2 3.39Å; L32-T36 PolarHBondContact O-N 2.76Å; L32-T36 PolarHBondContact O-OG1 2.91Å; T36-K38 PolarHBondContact O-N 2.67Å; T36-K38 PolarHBondContact OG1-N 2.84Å; T36-K38 PolarHBondContact OG1-O 2.62Å
37	G	94.5	Very high	97.3	Very high	68 Å²	68	47.3 Å²	47.3	70%	0.701	25%	0.253	S	S	*	.	S	Bend	trans	68.6	9.7	-171.4	0	0	0	0	0	114	T33	T33-G37 WeakPolarHBondContact O-CA 3.38Å; T33-G37 PolarHBondContact O-N 3.07Å
38	K	94.9	Very high	97.2	Very high	78 Å²	78	51 Å²	51	34%	0.339	27%	0.267	S	S	.	.	S	Bend	trans	-118.5	132.7	176.4	-67.9	178	178	177.6	0	108.9	T33 T36 A40 A92 G93 I94	T33-K38 WeakPolarHBondContact CA-O 3.16Å; T36-K38 PolarHBondContact O-N 2.67Å; T36-K38 PolarHBondContact OG1-N 2.84Å; T36-K38 PolarHBondContact OG1-O 2.62Å; K38-A40 PolarHBondContact O-N 3.5Å; K38-A92 PolarHBondContact NZ-O 2.77Å; K38-G93 WeakPolarHBondContact CD-O 3.35Å; K38-I94 HydrophobicContact CB-CG1 4.33Å; K38-I94 HydrophobicContact CD-CG1 4.29Å
39	Q	98.1	Very high	97.1	Very high	135 Å²	135	54.9 Å²	54.9	63%	0.631	29%	0.294	S	S	*	.			trans	-58.7	105.8	178.4	-175.5	71	28	0	0	110.4	I94	Q39-I94 WeakPolarHBondContact O-CG2 3.41Å
40	A	98.5	Very high	97.1	Very high	3 Å²	3	54.6 Å²	54.6	3%	0.025	29%	0.294	C	S	.	.			trans	-65.8	143.8	176.5	0	0	0	0	0	110.2	Q29 L32 T33 K38 S95	Q29-A40 HydrophobicContact CG-CB 3.94Å; Q29-A40 WeakPolarHBondContact CG-O 3.31Å; Q29-A40 PolarHBondContact NE2-O 3.31Å; L32-A40 HydrophobicContact CB-CB 4.07Å; T33-A40 PolarHBondContact OG1-N 2.7Å; K38-A40 PolarHBondContact O-N 3.5Å; A40-S95 CarbonylContact C-O 3.57Å; A40-S95 VanDerWaalsContact CA-O 3.25Å; A40-S95 WeakPolarHBondContact CA-O 3.42Å; A40-S95 WeakPolarHBondContact CB-O 3.2Å
41	L	98.7	Very high	97.1	Very high	38 Å²	38	54.1 Å²	54.1	20%	0.199	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	128.5	-179.2	179.9	60.7	0	0	0	109.7	I43 E85 A89 S95 V96 V97	L41-I43 HydrophobicContact CD1-CG1 4.39Å; L41-I43 HydrophobicContact CD2-CD1 3.85Å; L41-I43 HydrophobicContact CD2-CG1 4.2Å; L41-I43 HydrophobicContact CG-CD1 4.15Å; L41-I43 HydrophobicContact CG-CG1 3.95Å; L41-E85 HydrophobicContact CD2-CG 3.88Å; L41-A89 HydrophobicContact CD2-CB 4.18Å; L41-S95 PolarHBondContact N-O 3.47Å; L41-V96 HydrophobicContact CB-CG1 4.38Å; L41-V96 HydrophobicContact CB-CG2 4.2Å; L41-V96 HydrophobicContact CD2-CG1 4.27Å; L41-V96 HydrophobicContact CD2-CG2 4.24Å; L41-V96 HydrophobicContact CG-CG1 4.39Å; L41-V96 CarbonylContact O-C 3.32Å; L41-V96 WeakPolarHBondContact O-CA 3.48Å; L41-V97 PolarHBondContact O-N 3.48Å
42	L	98.8	Very high	97.1	Very high	47 Å²	47	55.4 Å²	55.4	25%	0.246	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127	171.1	179.6	64.5	0	0	0	109.9	E26 Q29 H44 V97	E26-L42 HydrophobicContact CG-CD2 3.72Å; Q29-L42 HydrophobicContact CB-CB 4.28Å; Q29-L42 HydrophobicContact CG-CB 3.94Å; L42-H44 WeakPolarHBondContact CD2-NE2 3.5Å; L42-V97 WeakPolarHBondContact CA-O 3.26Å; L42-V97 HydrophobicContact CD1-CB 4.15Å; L42-V97 HydrophobicContact CD1-CG1 4.15Å
43	I	98.6	Very high	97.1	Very high	8 Å²	8	55.4 Å²	55.4	4%	0.041	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.9	176.5	-53.3	172.1	0	0	0	109	L41 F45 R82 I86 V96 V97 V98 D99	L41-I43 HydrophobicContact CD1-CG1 4.39Å; L41-I43 HydrophobicContact CD2-CD1 3.85Å; L41-I43 HydrophobicContact CD2-CG1 4.2Å; L41-I43 HydrophobicContact CG-CD1 4.15Å; L41-I43 HydrophobicContact CG-CG1 3.95Å; I43-F45 HydrophobicContact CB-CE2 4.48Å; I43-F45 HydrophobicContact CG2-CD2 4.11Å; I43-F45 HydrophobicContact CG2-CE1 4.19Å; I43-F45 HydrophobicContact CG2-CE2 3.63Å; I43-F45 HydrophobicContact CG2-CZ 3.68Å; I43-R82 HydrophobicContact CD1-CB 4.43Å; I43-R82 HydrophobicContact CG2-CG 4.46Å; I43-I86 HydrophobicContact CD1-CD1 3.82Å; I43-I86 HydrophobicContact CD1-CG1 3.5Å; I43-V96 HydrophobicContact CD1-CG1 4.19Å; I43-V97 PolarHBondContact N-O 2.84Å; I43-V98 HydrophobicContact CB-CG2 4.19Å; I43-V98 CarbonylContact O-C 3.47Å; I43-V98 VanDerWaalsContact O-CA 3.27Å; I43-V98 WeakPolarHBondContact O-CA 3.21Å; I43-D99 PolarHBondContact O-N 3.01Å
44	H	97.9	Very high	97.2	Very high	69 Å²	69	59.7 Å²	59.7	32%	0.319	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.4	172	-53.4	-81.9	0	0	0	109	L42 P46 D47 D99	L42-H44 WeakPolarHBondContact CD2-NE2 3.5Å; H44-P46 CarbonylContact O-C 3.6Å; H44-D47 PolarHBondContact O-N 2.84Å; H44-D99 WeakPolarHBondContact ND1-CB 3.36Å; H44-D99 IonicContact ND1-OD2 3.86Å; H44-D99 PolarHBondContact ND1-OD2 2.92Å
45	F	98.1	Very high	97.2	Very high	11 Å²	11	55.7 Å²	55.7	5%	0.048	30%	0.304	C	S	.	.	S	Bend	trans	-103.1	141.6	173.3	-69	-74	0	0	0	112.6	I43 N78 R79 R82 V98 D99 R100 Y101	I43-F45 HydrophobicContact CB-CE2 4.48Å; I43-F45 HydrophobicContact CG2-CD2 4.11Å; I43-F45 HydrophobicContact CG2-CE1 4.19Å; I43-F45 HydrophobicContact CG2-CE2 3.63Å; I43-F45 HydrophobicContact CG2-CZ 3.68Å; F45-N78 WeakPolarHBondContact CD1-OD1 3.45Å; F45-N78 WeakPolarHBondContact CE1-O 3.45Å; F45-R79 HydrophobicContact CD1-CG 3.87Å; F45-R79 HydrophobicContact CD2-CG 4.14Å; F45-R79 HydrophobicContact CE1-CB 4.3Å; F45-R79 HydrophobicContact CE1-CG 3.92Å; F45-R79 HydrophobicContact CE2-CG 4.16Å; F45-R79 HydrophobicContact CG-CG 3.98Å; F45-R79 HydrophobicContact CZ-CB 4.37Å; F45-R79 HydrophobicContact CZ-CG 4.04Å; F45-R82 HydrophobicContact CE1-CB 4.18Å; F45-R82 HydrophobicContact CE1-CG 3.83Å; F45-R82 HydrophobicContact CZ-CB 3.76Å; F45-R82 HydrophobicContact CZ-CG 3.84Å; F45-V98 HydrophobicContact CD2-CG1 3.58Å; F45-V98 HydrophobicContact CE2-CG1 3.75Å; F45-D99 PolarHBondContact N-O 3.4Å; F45-R100 WeakPolarHBondContact CB-O 3.32Å; F45-R100 VanDerWaalsContact CD2-O 3.27Å; F45-R100 WeakPolarHBondContact CD2-O 3.41Å; F45-Y101 AromaticContact CD2-CD2 3.87Å; F45-Y101 HydrophobicContact CD2-CD2 3.87Å; F45-Y101 AromaticContact CE2-CD2 3.65Å; F45-Y101 HydrophobicContact CE2-CD2 3.65Å; F45-Y101 AromaticContact CE2-CE2 3.94Å; F45-Y101 HydrophobicContact CE2-CE2 3.94Å
46	P	97.5	Very high	97.4	Very high	26 Å²	26	51.4 Å²	51.4	17%	0.169	28%	0.283	C	S	.	.	S	Bend	cis	-69.5	143.7	-5	31.4	-35.7	0	0	0	111.6	H44 K48 L56 Y75 N78	H44-P46 CarbonylContact O-C 3.6Å; P46-K48 HydrophobicContact CG-CG 4.46Å; P46-K48 WeakPolarHBondContact O-CG 3.41Å; P46-K48 PolarHBondContact O-N 3.22Å; P46-L56 HydrophobicContact CB-CB 4.26Å; P46-L56 HydrophobicContact CB-CD1 3.83Å; P46-L56 HydrophobicContact CG-CB 4.47Å; P46-Y75 HydrophobicContact CB-CD1 4.24Å; P46-Y75 HydrophobicContact CB-CE1 4.02Å; P46-Y75 HydrophobicContact CG-CE1 3.97Å; P46-N78 WeakPolarHBondContact CA-OD1 3.35Å; P46-N78 WeakPolarHBondContact CB-OD1 3.34Å
47	D	97.7	Very high	97.5	Very high	19 Å²	19	51.2 Å²	51.2	10%	0.102	28%	0.282	C	S	.	.			trans	-75.4	93.9	172.7	174.2	8.8	0	0	0	109.3	H44 S49 T50 G53 N78 R82	H44-D47 PolarHBondContact O-N 2.84Å; D47-S49 VanDerWaalsContact CG-OG 3.3Å; D47-S49 PolarHBondContact O-N 2.76Å; D47-S49 VanDerWaalsContact OD1-CB 3.3Å; D47-S49 WeakPolarHBondContact OD1-CB 3.43Å; D47-S49 PolarHBondContact OD1-N 2.94Å; D47-S49 PolarHBondContact OD1-OG 3.41Å; D47-S49 PolarHBondContact OD2-OG 2.97Å; D47-T50 HydrophobicContact CB-CG2 4.36Å; D47-T50 PolarHBondContact O-N 2.98Å; D47-T50 PolarHBondContact O-OG1 3.45Å; D47-T50 WeakPolarHBondContact OD2-CG2 3.45Å; D47-G53 VanDerWaalsContact O-CA 3.31Å; D47-G53 WeakPolarHBondContact O-CA 2.83Å; D47-N78 PolarHBondContact N-OD1 3.36Å; D47-N78 PolarHBondContact O-ND2 3.26Å; D47-R82 IonicContact OD1-NH2 2.73Å; D47-R82 IonicContact OD2-CZ 3.66Å; D47-R82 IonicContact OD2-NE 3.55Å; D47-R82 PolarHBondContact OD2-NE 3.4Å; D47-R82 IonicContact OD2-NH2 2.62Å; D47-R82 PolarHBondContact OD2-NH2 3.34Å
48	K	96.6	Very high	97.5	Very high	122 Å²	122	52.2 Å²	52.2	53%	0.53	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-7.6	-175.5	-54.8	-174.7	178.4	179.1	0	113.9	P46 T50 K54 T57	P46-K48 HydrophobicContact CG-CG 4.46Å; P46-K48 WeakPolarHBondContact O-CG 3.41Å; P46-K48 PolarHBondContact O-N 3.22Å; K48-T50 VanDerWaalsContact C-N 3.34Å; K48-K54 WeakPolarHBondContact O-CG 3.4Å; K48-T57 HydrophobicContact CD-CG2 4.47Å; K48-T57 WeakPolarHBondContact CD-OG1 3.49Å; K48-T57 WeakPolarHBondContact CG-OG1 3.32Å
49	S	96.7	Very high	97.5	Very high	80 Å²	80	49 Å²	49	56%	0.559	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-26.6	176.7	74.1	0	0	0	0	112.3	D47	D47-S49 VanDerWaalsContact CG-OG 3.3Å; D47-S49 PolarHBondContact O-N 2.76Å; D47-S49 VanDerWaalsContact OD1-CB 3.3Å; D47-S49 WeakPolarHBondContact OD1-CB 3.43Å; D47-S49 PolarHBondContact OD1-N 2.94Å; D47-S49 PolarHBondContact OD1-OG 3.41Å; D47-S49 PolarHBondContact OD2-OG 2.97Å
50	T	98.1	Very high	97.1	Very high	18 Å²	18	44.4 Å²	44.4	11%	0.11	24%	0.236	C	C	.	.	S	Bend	trans	-82.8	159.3	-178.4	82.9	0	0	0	0	112.4	D47 K48 I52 G53 K54 N78 E81	D47-T50 HydrophobicContact CB-CG2 4.36Å; D47-T50 PolarHBondContact O-N 2.98Å; D47-T50 PolarHBondContact O-OG1 3.45Å; D47-T50 WeakPolarHBondContact OD2-CG2 3.45Å; K48-T50 VanDerWaalsContact C-N 3.34Å; T50-I52 VanDerWaalsContact C-N 3.27Å; T50-I52 PolarHBondContact O-N 3.36Å; T50-I52 PolarHBondContact OG1-N 2.9Å; T50-G53 PolarHBondContact O-N 3.45Å; T50-G53 PolarHBondContact OG1-N 3.47Å; T50-K54 WeakPolarHBondContact O-CG 3.36Å; T50-K54 PolarHBondContact O-N 2.85Å; T50-N78 PolarHBondContact OG1-ND2 3.02Å; T50-N78 VanDerWaalsContact OG1-ND2 3.12Å; T50-E81 WeakPolarHBondContact CB-OE1 3.42Å; T50-E81 WeakPolarHBondContact CB-OE2 3.46Å; T50-E81 PolarHBondContact OG1-OE1 3.5Å; T50-E81 PolarHBondContact OG1-OE2 3.49Å
51	P	98.2	Very high	96.6	Very high	95 Å²	95	47.5 Å²	47.5	62%	0.617	25%	0.253	S	S	*	.	H	α-helix	trans	-55.5	-39.7	172.7	-26.2	36	0	0	0	113.5	K54 L55	P51-K54 PolarHBondContact O-N 3.01Å; P51-L55 PolarHBondContact O-N 3.15Å; P51-L55 VanDerWaalsContact O-N 3.17Å
52	I	98.5	Very high	96.1	Very high	38 Å²	38	47.7 Å²	47.7	20%	0.195	26%	0.264	C	S	.	.	H	α-helix	trans	-67.7	-43.7	177.1	-57.2	-178.9	0	0	0	110.2	T50 K54 L55 L56 L74 A77 N78 E81	T50-I52 VanDerWaalsContact C-N 3.27Å; T50-I52 PolarHBondContact O-N 3.36Å; T50-I52 PolarHBondContact OG1-N 2.9Å; I52-K54 VanDerWaalsContact C-N 3.28Å; I52-K54 PolarHBondContact O-N 3.07Å; I52-L55 WeakPolarHBondContact O-CB 3.49Å; I52-L55 PolarHBondContact O-N 3.31Å; I52-L56 HydrophobicContact CG2-CD1 4.09Å; I52-L56 HydrophobicContact CG2-CG 4.46Å; I52-L56 WeakPolarHBondContact O-CG 3.3Å; I52-L56 PolarHBondContact O-N 2.98Å; I52-L74 HydrophobicContact CG2-CB 4.16Å; I52-L74 HydrophobicContact CG2-CD2 4.3Å; I52-L74 WeakPolarHBondContact CG2-O 3.27Å; I52-A77 HydrophobicContact CD1-CB 3.84Å; I52-N78 HydrophobicContact CB-CB 4.46Å; I52-N78 HydrophobicContact CG2-CB 3.91Å; I52-E81 HydrophobicContact CD1-CG 4.32Å
53	G	98.3	Very high	95.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.1	-33.7	175.6	0	0	0	0	0	114.1	D47 T50 L56 T57	D47-G53 VanDerWaalsContact O-CA 3.31Å; D47-G53 WeakPolarHBondContact O-CA 2.83Å; T50-G53 PolarHBondContact O-N 3.45Å; T50-G53 PolarHBondContact OG1-N 3.47Å; G53-L56 PolarHBondContact O-N 3.47Å; G53-T57 WeakPolarHBondContact O-CB 3.35Å; G53-T57 PolarHBondContact O-N 2.87Å; G53-T57 PolarHBondContact O-OG1 3.34Å
54	K	98	Very high	95.6	Very high	117 Å²	117	54.9 Å²	54.9	51%	0.509	30%	0.295	S	S	.	.	H	α-helix	trans	-66.3	-45.3	172.9	-69.8	173.2	-170.5	177	0	111.6	K48 T50 P51 I52 L56 T57 E58	K48-K54 WeakPolarHBondContact O-CG 3.4Å; T50-K54 WeakPolarHBondContact O-CG 3.36Å; T50-K54 PolarHBondContact O-N 2.85Å; P51-K54 PolarHBondContact O-N 3.01Å; I52-K54 VanDerWaalsContact C-N 3.28Å; I52-K54 PolarHBondContact O-N 3.07Å; K54-L56 VanDerWaalsContact C-N 3.32Å; K54-L56 PolarHBondContact O-N 3.1Å; K54-T57 WeakPolarHBondContact O-CA 3.29Å; K54-T57 WeakPolarHBondContact O-CB 3.48Å; K54-T57 PolarHBondContact O-N 3.12Å; K54-T57 VanDerWaalsContact O-N 3.08Å; K54-E58 PolarHBondContact O-N 3.28Å
55	L	97.6	Very high	95.4	Very high	74 Å²	74	57.9 Å²	57.9	39%	0.387	31%	0.309	S	S	.	.	H	α-helix	trans	-60	-41.6	173.8	-71.1	171.8	0	0	0	112.1	P51 I52 T57 E58 Y59 L64	P51-L55 PolarHBondContact O-N 3.15Å; P51-L55 VanDerWaalsContact O-N 3.17Å; I52-L55 WeakPolarHBondContact O-CB 3.49Å; I52-L55 PolarHBondContact O-N 3.31Å; L55-T57 VanDerWaalsContact C-N 3.28Å; L55-T57 PolarHBondContact O-N 3.07Å; L55-E58 PolarHBondContact O-N 2.84Å; L55-Y59 WeakPolarHBondContact O-CB 3.39Å; L55-Y59 PolarHBondContact O-N 2.88Å; L55-L64 HydrophobicContact CD2-CD2 4.32Å
56	L	97.1	Very high	95.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-32	175.1	-70.6	170.6	0	0	0	112.4	P46 I52 G53 K54 Y59 S60 L74 Y75 N78	P46-L56 HydrophobicContact CB-CB 4.26Å; P46-L56 HydrophobicContact CB-CD1 3.83Å; P46-L56 HydrophobicContact CG-CB 4.47Å; I52-L56 HydrophobicContact CG2-CD1 4.09Å; I52-L56 HydrophobicContact CG2-CG 4.46Å; I52-L56 WeakPolarHBondContact O-CG 3.3Å; I52-L56 PolarHBondContact O-N 2.98Å; G53-L56 PolarHBondContact O-N 3.47Å; K54-L56 VanDerWaalsContact C-N 3.32Å; K54-L56 PolarHBondContact O-N 3.1Å; L56-Y59 PolarHBondContact O-N 2.67Å; L56-S60 WeakPolarHBondContact O-CB 3.34Å; L56-S60 PolarHBondContact O-N 3.41Å; L56-S60 PolarHBondContact O-OG 2.85Å; L56-L74 HydrophobicContact CD2-CB 3.67Å; L56-L74 HydrophobicContact CG-CB 4.17Å; L56-Y75 HydrophobicContact CB-CE1 4.28Å; L56-Y75 HydrophobicContact CD1-CD1 3.66Å; L56-Y75 HydrophobicContact CD1-CE1 3.95Å; L56-Y75 HydrophobicContact CD1-CG 4.1Å; L56-Y75 HydrophobicContact CD2-CD1 3.96Å; L56-Y75 HydrophobicContact CD2-CD2 3.73Å; L56-Y75 HydrophobicContact CD2-CE1 3.9Å; L56-Y75 HydrophobicContact CD2-CE2 3.66Å; L56-Y75 HydrophobicContact CD2-CG 3.86Å; L56-Y75 HydrophobicContact CG-CD1 4.34Å; L56-Y75 HydrophobicContact CG-CE1 4.27Å; L56-N78 HydrophobicContact CD1-CB 3.9Å
57	T	95	Very high	95.1	Very high	30 Å²	30	62.9 Å²	62.9	18%	0.184	33%	0.331	C	S	.	.	H	α-helix	trans	-67	-46.2	172.5	-58.2	0	0	0	0	110.7	K48 G53 K54 L55 Y59 S60 D61	K48-T57 HydrophobicContact CD-CG2 4.47Å; K48-T57 WeakPolarHBondContact CD-OG1 3.49Å; K48-T57 WeakPolarHBondContact CG-OG1 3.32Å; G53-T57 WeakPolarHBondContact O-CB 3.35Å; G53-T57 PolarHBondContact O-N 2.87Å; G53-T57 PolarHBondContact O-OG1 3.34Å; K54-T57 WeakPolarHBondContact O-CA 3.29Å; K54-T57 WeakPolarHBondContact O-CB 3.48Å; K54-T57 PolarHBondContact O-N 3.12Å; K54-T57 VanDerWaalsContact O-N 3.08Å; L55-T57 VanDerWaalsContact C-N 3.28Å; L55-T57 PolarHBondContact O-N 3.07Å; T57-Y59 VanDerWaalsContact C-N 3.29Å; T57-Y59 PolarHBondContact O-N 3.02Å; T57-S60 WeakPolarHBondContact CA-OG 3.41Å; T57-S60 PolarHBondContact O-N 2.62Å; T57-S60 PolarHBondContact O-OG 2.8Å; T57-S60 VanDerWaalsContact O-OG 3.09Å; T57-D61 VanDerWaalsContact O-CB 3.3Å; T57-D61 WeakPolarHBondContact O-CB 3.5Å; T57-D61 PolarHBondContact O-N 2.73Å
58	E	95.3	Very high	94.9	Very high	89 Å²	89	63.5 Å²	63.5	42%	0.416	34%	0.337	S	S	.	.	H	α-helix	trans	-59.8	-40.2	174.3	-68.8	178	-169.8	0	0	112.3	K54 L55 G62 K63 L64	K54-E58 PolarHBondContact O-N 3.28Å; L55-E58 PolarHBondContact O-N 2.84Å; E58-G62 PolarHBondContact O-N 2.97Å; E58-K63 HydrophobicContact CB-CB 4.32Å; E58-K63 WeakPolarHBondContact O-CA 3.33Å; E58-K63 WeakPolarHBondContact O-CB 3.44Å; E58-K63 PolarHBondContact O-N 3.18Å; E58-L64 HydrophobicContact CB-CB 3.95Å; E58-L64 PolarHBondContact O-N 3Å; E58-L64 VanDerWaalsContact O-N 3.09Å
59	Y	93.7	Very high	94.9	Very high	11 Å²	11	59.9 Å²	59.9	4%	0.043	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-48.6	175.6	170.9	-103.7	0	0	0	112.4	L55 L56 T57 D61 G62 L64 L66 A71 Y75 F159	L55-Y59 WeakPolarHBondContact O-CB 3.39Å; L55-Y59 PolarHBondContact O-N 2.88Å; L56-Y59 PolarHBondContact O-N 2.67Å; T57-Y59 VanDerWaalsContact C-N 3.29Å; T57-Y59 PolarHBondContact O-N 3.02Å; Y59-D61 VanDerWaalsContact C-N 3.31Å; Y59-D61 PolarHBondContact O-N 3.22Å; Y59-G62 PolarHBondContact O-N 2.66Å; Y59-L64 WeakPolarHBondContact CD2-O 3.5Å; Y59-L66 HydrophobicContact CD2-CB 3.72Å; Y59-L66 HydrophobicContact CD2-CD1 4.02Å; Y59-L66 HydrophobicContact CD2-CG 3.96Å; Y59-L66 HydrophobicContact CE2-CB 3.78Å; Y59-L66 HydrophobicContact CG-CD1 4.22Å; Y59-A71 HydrophobicContact CD1-CB 4.15Å; Y59-A71 HydrophobicContact CD2-CB 4.42Å; Y59-A71 HydrophobicContact CE1-CB 3.67Å; Y59-A71 HydrophobicContact CE2-CB 3.96Å; Y59-A71 HydrophobicContact CG-CB 4.49Å; Y59-Y75 HydrophobicContact CD1-CE2 4.49Å; Y59-Y75 HydrophobicContact CE1-CE2 4.43Å; Y59-F159 HydrophobicContact CE1-CE2 4.14Å; Y59-F159 HydrophobicContact CE1-CZ 4.21Å
60	S	89.5	Confident	94.9	Very high	37 Å²	37	58 Å²	58	26%	0.259	31%	0.311	S	S	.	.	H	α-helix	trans	-68.6	-29.6	-179.8	53.7	0	0	0	0	113.2	L56 T57 G62	L56-S60 WeakPolarHBondContact O-CB 3.34Å; L56-S60 PolarHBondContact O-N 3.41Å; L56-S60 PolarHBondContact O-OG 2.85Å; T57-S60 WeakPolarHBondContact CA-OG 3.41Å; T57-S60 PolarHBondContact O-N 2.62Å; T57-S60 PolarHBondContact O-OG 2.8Å; T57-S60 VanDerWaalsContact O-OG 3.09Å; S60-G62 PolarHBondContact O-N 2.84Å
61	D	88.9	Confident	94.9	Very high	69 Å²	69	57.1 Å²	57.1	37%	0.369	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-6	170.5	-76.4	-8.1	0	0	0	113.2	T57 Y59 K63	T57-D61 VanDerWaalsContact O-CB 3.3Å; T57-D61 WeakPolarHBondContact O-CB 3.5Å; T57-D61 PolarHBondContact O-N 2.73Å; Y59-D61 VanDerWaalsContact C-N 3.31Å; Y59-D61 PolarHBondContact O-N 3.22Å; D61-K63 HydrophobicContact CB-CD 4.05Å; D61-K63 HydrophobicContact CB-CG 4.02Å; D61-K63 PolarHBondContact O-N 2.75Å; D61-K63 IonicContact OD2-NZ 3.5Å; D61-K63 PolarHBondContact OD2-NZ 3.39Å
62	G	88.6	Confident	94.9	Very high	42 Å²	42	52.6 Å²	52.6	43%	0.433	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	7.5	-177.6	0	0	0	0	0	114.8	E58 Y59 S60 L64 Q65	E58-G62 PolarHBondContact O-N 2.97Å; Y59-G62 PolarHBondContact O-N 2.66Å; S60-G62 PolarHBondContact O-N 2.84Å; G62-L64 VanDerWaalsContact C-N 3.35Å; G62-Q65 PolarHBondContact O-NE2 3.15Å
63	K	92.2	Very high	94.9	Very high	155 Å²	155	54.5 Å²	54.5	67%	0.674	29%	0.286	S	S	*	.	S	Bend	trans	-77	-24.2	177.9	-60.1	172.7	-173	151.2	0	112.2	E58 D61	E58-K63 HydrophobicContact CB-CB 4.32Å; E58-K63 WeakPolarHBondContact O-CA 3.33Å; E58-K63 WeakPolarHBondContact O-CB 3.44Å; E58-K63 PolarHBondContact O-N 3.18Å; D61-K63 HydrophobicContact CB-CD 4.05Å; D61-K63 HydrophobicContact CB-CG 4.02Å; D61-K63 PolarHBondContact O-N 2.75Å; D61-K63 IonicContact OD2-NZ 3.5Å; D61-K63 PolarHBondContact OD2-NZ 3.39Å
64	L	93.5	Very high	94.9	Very high	50 Å²	50	56.7 Å²	56.7	26%	0.262	30%	0.298	S	S	.	.	S	Bend	trans	-120.1	128.4	175.3	179.2	65.2	0	0	0	109.7	L55 E58 Y59 G62 L66	L55-L64 HydrophobicContact CD2-CD2 4.32Å; E58-L64 HydrophobicContact CB-CB 3.95Å; E58-L64 PolarHBondContact O-N 3Å; E58-L64 VanDerWaalsContact O-N 3.09Å; Y59-L64 WeakPolarHBondContact CD2-O 3.5Å; G62-L64 VanDerWaalsContact C-N 3.35Å; L64-L66 HydrophobicContact CD1-CD2 4.48Å; L64-L66 HydrophobicContact CD2-CD1 3.89Å; L64-L66 HydrophobicContact CD2-CD2 4.1Å; L64-L66 HydrophobicContact CD2-CG 3.92Å; L64-L66 HydrophobicContact CG-CD1 4.43Å; L64-L66 HydrophobicContact CG-CD2 4.18Å; L64-L66 HydrophobicContact CG-CG 3.95Å
65	Q	93.5	Very high	94.9	Very high	133 Å²	133	52.9 Å²	52.9	62%	0.621	28%	0.28	S	S	*	.			trans	-93.5	121.2	171.3	-62.2	-58.2	-44.2	0	0	109.1	G62	G62-Q65 PolarHBondContact O-NE2 3.15Å
66	L	94.9	Very high	95	Very high	47 Å²	47	50.1 Å²	50.1	25%	0.246	27%	0.265	C	S	.	.			trans	-125.6	145.4	172.2	-64.4	174.9	0	0	0	109.5	Y59 L64 A71 L74	Y59-L66 HydrophobicContact CD2-CB 3.72Å; Y59-L66 HydrophobicContact CD2-CD1 4.02Å; Y59-L66 HydrophobicContact CD2-CG 3.96Å; Y59-L66 HydrophobicContact CE2-CB 3.78Å; Y59-L66 HydrophobicContact CG-CD1 4.22Å; L64-L66 HydrophobicContact CD1-CD2 4.48Å; L64-L66 HydrophobicContact CD2-CD1 3.89Å; L64-L66 HydrophobicContact CD2-CD2 4.1Å; L64-L66 HydrophobicContact CD2-CG 3.92Å; L64-L66 HydrophobicContact CG-CD1 4.43Å; L64-L66 HydrophobicContact CG-CD2 4.18Å; L64-L66 HydrophobicContact CG-CG 3.95Å; L66-A71 HydrophobicContact CB-CB 4.13Å; L66-A71 HydrophobicContact CD1-CB 4.28Å; L66-L74 HydrophobicContact CD1-CD1 3.61Å
67	E	94.9	Very high	95.1	Very high	95 Å²	95	51.9 Å²	51.9	44%	0.444	28%	0.28	S	S	.	.			trans	-60.7	137.5	165.8	-165.9	-71.3	137.9	0	0	108.9	H69 A70 A71	E67-H69 VanDerWaalsContact C-N 3.32Å; E67-H69 VanDerWaalsContact CD-ND1 3.34Å; E67-H69 PolarHBondContact O-N 3.46Å; E67-H69 IonicContact OE1-CE1 3.59Å; E67-H69 IonicContact OE1-CG 2.76Å; E67-H69 PolarHBondContact OE1-N 3.36Å; E67-H69 IonicContact OE1-ND1 2.83Å; E67-H69 PolarHBondContact OE1-ND1 2.85Å; E67-H69 VanDerWaalsContact OE2-CA 3.27Å; E67-H69 WeakPolarHBondContact OE2-CA 3.42Å; E67-H69 WeakPolarHBondContact OE2-CB 3.18Å; E67-H69 IonicContact OE2-CG 3.45Å; E67-H69 PolarHBondContact OE2-N 3.3Å; E67-H69 IonicContact OE2-ND1 3.87Å; E67-H69 PolarHBondContact OE2-ND1 3.25Å; E67-A70 HydrophobicContact CB-CB 4.45Å; E67-A70 WeakPolarHBondContact O-CB 3.49Å; E67-A70 PolarHBondContact O-N 2.97Å; E67-A70 PolarHBondContact OE2-N 2.92Å; E67-A71 PolarHBondContact O-N 2.83Å
68	P	93.3	Very high	95.2	Very high	32 Å²	32	50.5 Å²	50.5	21%	0.208	27%	0.271	C	S	.	.	H	α-helix	trans	-50.4	-40	-175.5	-33.2	35.5	0	0	0	116.5	A71 H72 F113	P68-A71 PolarHBondContact O-N 3.34Å; P68-H72 WeakPolarHBondContact O-CB 3.43Å; P68-H72 PolarHBondContact O-N 2.94Å; P68-F113 HydrophobicContact CB-CE1 3.69Å; P68-F113 HydrophobicContact CB-CZ 3.75Å; P68-F113 HydrophobicContact CG-CE1 4.15Å
69	H	96.4	Very high	95.4	Very high	46 Å²	46	46.4 Å²	46.4	21%	0.213	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-44.5	176.1	-56.4	81.5	0	0	0	110.8	E67 A71 H72 L73 F113 W123	E67-H69 VanDerWaalsContact C-N 3.32Å; E67-H69 VanDerWaalsContact CD-ND1 3.34Å; E67-H69 PolarHBondContact O-N 3.46Å; E67-H69 IonicContact OE1-CE1 3.59Å; E67-H69 IonicContact OE1-CG 2.76Å; E67-H69 PolarHBondContact OE1-N 3.36Å; E67-H69 IonicContact OE1-ND1 2.83Å; E67-H69 PolarHBondContact OE1-ND1 2.85Å; E67-H69 VanDerWaalsContact OE2-CA 3.27Å; E67-H69 WeakPolarHBondContact OE2-CA 3.42Å; E67-H69 WeakPolarHBondContact OE2-CB 3.18Å; E67-H69 IonicContact OE2-CG 3.45Å; E67-H69 PolarHBondContact OE2-N 3.3Å; E67-H69 IonicContact OE2-ND1 3.87Å; E67-H69 PolarHBondContact OE2-ND1 3.25Å; H69-A71 VanDerWaalsContact C-N 3.33Å; H69-A71 PolarHBondContact O-N 3.39Å; H69-H72 WeakPolarHBondContact O-CB 3.47Å; H69-H72 PolarHBondContact O-N 3.45Å; H69-L73 WeakPolarHBondContact O-CG 3.47Å; H69-L73 PolarHBondContact O-N 3.43Å; H69-F113 AromaticContact CE1-CE1 3.56Å; H69-F113 AromaticContact CE1-CZ 3.35Å; H69-F113 WeakPolarHBondContact CE1-CZ 3.37Å; H69-F113 AromaticContact ND1-CE1 3.97Å; H69-F113 AromaticContact ND1-CZ 3.71Å; H69-F113 AromaticContact NE2-CZ 3.64Å; H69-W123 HydrophobicContact CB-CH2 3.53Å; H69-W123 HydrophobicContact CB-CZ2 3.86Å; H69-W123 HydrophobicContact CB-CZ3 4.09Å; H69-W123 AromaticContact CD2-CD2 3.54Å; H69-W123 AromaticContact CD2-CE2 3.58Å; H69-W123 AromaticContact CD2-CE3 3.46Å; H69-W123 VanDerWaalsContact CD2-CE3 3.46Å; H69-W123 AromaticContact CD2-CH2 3.55Å; H69-W123 AromaticContact CD2-CZ2 3.59Å; H69-W123 AromaticContact CD2-CZ3 3.47Å; H69-W123 VanDerWaalsContact CD2-CZ3 3.47Å; H69-W123 WeakPolarHBondContact CD2-CZ3 3.12Å; H69-W123 AromaticContact CG-CH2 3.89Å
70	A	98	Very high	95.6	Very high	40 Å²	40	51.7 Å²	51.7	33%	0.331	27%	0.272	S	S	.	.	H	α-helix	trans	-59.2	-44.1	176.2	0	0	0	0	0	111.8	E67 H72 L73 L74	E67-A70 HydrophobicContact CB-CB 4.45Å; E67-A70 WeakPolarHBondContact O-CB 3.49Å; E67-A70 PolarHBondContact O-N 2.97Å; E67-A70 PolarHBondContact OE2-N 2.92Å; A70-H72 PolarHBondContact O-N 3.03Å; A70-L73 PolarHBondContact O-N 3.21Å; A70-L74 WeakPolarHBondContact O-CG 3.5Å; A70-L74 PolarHBondContact O-N 3.36Å; A70-L74 VanDerWaalsContact O-N 3.16Å
71	A	97.3	Very high	96	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.7	-42.5	175.5	0	0	0	0	0	112.1	Y59 L66 E67 P68 H69 L73 L74 Y75	Y59-A71 HydrophobicContact CD1-CB 4.15Å; Y59-A71 HydrophobicContact CD2-CB 4.42Å; Y59-A71 HydrophobicContact CE1-CB 3.67Å; Y59-A71 HydrophobicContact CE2-CB 3.96Å; Y59-A71 HydrophobicContact CG-CB 4.49Å; L66-A71 HydrophobicContact CB-CB 4.13Å; L66-A71 HydrophobicContact CD1-CB 4.28Å; E67-A71 PolarHBondContact O-N 2.83Å; P68-A71 PolarHBondContact O-N 3.34Å; H69-A71 VanDerWaalsContact C-N 3.33Å; H69-A71 PolarHBondContact O-N 3.39Å; A71-L73 PolarHBondContact O-N 2.71Å; A71-L74 PolarHBondContact O-N 3.36Å; A71-Y75 WeakPolarHBondContact O-CD2 3.25Å; A71-Y75 PolarHBondContact O-N 2.82Å
72	H	98.2	Very high	96.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-43.1	177.8	-171.5	97.3	0	0	0	112.1	P68 H69 A70 L74 Y75 I76 G105 T109 W123 C124 E128	P68-H72 WeakPolarHBondContact O-CB 3.43Å; P68-H72 PolarHBondContact O-N 2.94Å; H69-H72 WeakPolarHBondContact O-CB 3.47Å; H69-H72 PolarHBondContact O-N 3.45Å; A70-H72 PolarHBondContact O-N 3.03Å; H72-L74 VanDerWaalsContact C-N 3.31Å; H72-L74 PolarHBondContact O-N 3.23Å; H72-Y75 WeakPolarHBondContact O-CB 3.39Å; H72-Y75 PolarHBondContact O-N 3.23Å; H72-Y75 VanDerWaalsContact O-N 3.13Å; H72-I76 WeakPolarHBondContact CD2-CD1 3.47Å; H72-I76 WeakPolarHBondContact NE2-CD1 3.37Å; H72-I76 PolarHBondContact O-N 3.32Å; H72-G105 PolarHBondContact ND1-O 2.78Å; H72-T109 HydrophobicContact CB-CG2 3.83Å; H72-T109 WeakPolarHBondContact ND1-CB 3.44Å; H72-T109 PolarHBondContact ND1-OG1 3.36Å; H72-W123 HydrophobicContact CB-CH2 4.01Å; H72-W123 HydrophobicContact CB-CZ3 3.95Å; H72-W123 AromaticContact CD2-CH2 3.91Å; H72-W123 AromaticContact CD2-CZ3 3.76Å; H72-W123 AromaticContact CG-CZ3 3.84Å; H72-C124 PolarHBondContact NE2-O 3.22Å; H72-E128 IonicContact CE1-OE1 2.66Å; H72-E128 PolarHBondContact CE1-OE1 3.26Å; H72-E128 IonicContact NE2-OE1 3.56Å; H72-E128 PolarHBondContact NE2-OE1 3Å
73	L	98.7	Very high	96.9	Very high	77 Å²	77	51.8 Å²	51.8	40%	0.403	25%	0.252	S	S	.	.	H	α-helix	trans	-62.4	-36.8	175.8	-68	172.1	0	0	0	112.6	H69 A70 A71 I76 A77 W123 M127	H69-L73 WeakPolarHBondContact O-CG 3.47Å; H69-L73 PolarHBondContact O-N 3.43Å; A70-L73 PolarHBondContact O-N 3.21Å; A71-L73 PolarHBondContact O-N 2.71Å; L73-I76 HydrophobicContact CD2-CD1 4.48Å; L73-I76 PolarHBondContact O-N 3.18Å; L73-A77 WeakPolarHBondContact O-CB 3.37Å; L73-A77 PolarHBondContact O-N 3.33Å; L73-W123 HydrophobicContact CD2-CZ2 4.33Å; L73-W123 HydrophobicContact CG-CH2 4.35Å; L73-W123 HydrophobicContact CG-CZ2 4.38Å; L73-M127 HydrophobicContact CD2-CE 3.49Å; L73-M127 VanDerWaalsContact CD2-CE 3.49Å
74	L	98.7	Very high	97.2	Very high	47 Å²	47	50.8 Å²	50.8	25%	0.246	25%	0.254	C	S	.	.	H	α-helix	trans	-66.6	-38.7	173.4	-67.8	179.3	0	0	0	112	I52 L56 L66 A70 A71 H72 I76 A77 N78	I52-L74 HydrophobicContact CG2-CB 4.16Å; I52-L74 HydrophobicContact CG2-CD2 4.3Å; I52-L74 WeakPolarHBondContact CG2-O 3.27Å; L56-L74 HydrophobicContact CD2-CB 3.67Å; L56-L74 HydrophobicContact CG-CB 4.17Å; L66-L74 HydrophobicContact CD1-CD1 3.61Å; A70-L74 WeakPolarHBondContact O-CG 3.5Å; A70-L74 PolarHBondContact O-N 3.36Å; A70-L74 VanDerWaalsContact O-N 3.16Å; A71-L74 PolarHBondContact O-N 3.36Å; H72-L74 VanDerWaalsContact C-N 3.31Å; H72-L74 PolarHBondContact O-N 3.23Å; L74-I76 VanDerWaalsContact C-N 3.34Å; L74-A77 PolarHBondContact O-N 2.7Å; L74-N78 WeakPolarHBondContact O-CB 3.36Å; L74-N78 PolarHBondContact O-N 2.82Å
75	Y	98.6	Very high	97.5	Very high	37 Å²	37	52 Å²	52	15%	0.145	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-40.8	173.1	-78.9	-70.1	0	0	0	112	P46 L56 Y59 A71 H72 N78 R79	P46-Y75 HydrophobicContact CB-CD1 4.24Å; P46-Y75 HydrophobicContact CB-CE1 4.02Å; P46-Y75 HydrophobicContact CG-CE1 3.97Å; L56-Y75 HydrophobicContact CB-CE1 4.28Å; L56-Y75 HydrophobicContact CD1-CD1 3.66Å; L56-Y75 HydrophobicContact CD1-CE1 3.95Å; L56-Y75 HydrophobicContact CD1-CG 4.1Å; L56-Y75 HydrophobicContact CD2-CD1 3.96Å; L56-Y75 HydrophobicContact CD2-CD2 3.73Å; L56-Y75 HydrophobicContact CD2-CE1 3.9Å; L56-Y75 HydrophobicContact CD2-CE2 3.66Å; L56-Y75 HydrophobicContact CD2-CG 3.86Å; L56-Y75 HydrophobicContact CG-CD1 4.34Å; L56-Y75 HydrophobicContact CG-CE1 4.27Å; Y59-Y75 HydrophobicContact CD1-CE2 4.49Å; Y59-Y75 HydrophobicContact CE1-CE2 4.43Å; A71-Y75 WeakPolarHBondContact O-CD2 3.25Å; A71-Y75 PolarHBondContact O-N 2.82Å; H72-Y75 WeakPolarHBondContact O-CB 3.39Å; H72-Y75 PolarHBondContact O-N 3.23Å; H72-Y75 VanDerWaalsContact O-N 3.13Å; Y75-N78 PolarHBondContact O-N 2.98Å; Y75-R79 PolarHBondContact O-N 3.11Å; Y75-R79 VanDerWaalsContact O-N 3.11Å
76	I	98.7	Very high	97.7	Very high	15 Å²	15	45.7 Å²	45.7	8%	0.077	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-47.7	174.7	-69.3	164	0	0	0	110.5	H72 L73 L74 N78 R79 W80 M127	H72-I76 WeakPolarHBondContact CD2-CD1 3.47Å; H72-I76 WeakPolarHBondContact NE2-CD1 3.37Å; H72-I76 PolarHBondContact O-N 3.32Å; L73-I76 HydrophobicContact CD2-CD1 4.48Å; L73-I76 PolarHBondContact O-N 3.18Å; L74-I76 VanDerWaalsContact C-N 3.34Å; I76-N78 VanDerWaalsContact C-N 3.27Å; I76-N78 PolarHBondContact O-N 2.91Å; I76-R79 WeakPolarHBondContact O-CA 3.37Å; I76-R79 WeakPolarHBondContact O-CB 3.31Å; I76-R79 PolarHBondContact O-N 3.01Å; I76-W80 VanDerWaalsContact CG2-CD1 3.47Å; I76-W80 VanDerWaalsContact O-CD1 3.3Å; I76-W80 PolarHBondContact O-N 3.02Å; I76-M127 HydrophobicContact CD1-CB 3.43Å; I76-M127 VanDerWaalsContact CD1-CB 3.43Å; I76-M127 WeakPolarHBondContact CD1-O 3.43Å
77	A	98.7	Very high	97.9	Very high	37 Å²	37	44.7 Å²	44.7	31%	0.306	23%	0.226	S	C	.	.	H	α-helix	trans	-57	-42.5	177.9	0	0	0	0	0	111.5	I52 L73 L74 R79 W80 E81	I52-A77 HydrophobicContact CD1-CB 3.84Å; L73-A77 WeakPolarHBondContact O-CB 3.37Å; L73-A77 PolarHBondContact O-N 3.33Å; L74-A77 PolarHBondContact O-N 2.7Å; A77-R79 VanDerWaalsContact C-N 3.33Å; A77-R79 PolarHBondContact O-N 3.49Å; A77-W80 CarbonylContact O-C 3.39Å; A77-W80 WeakPolarHBondContact O-CA 3.39Å; A77-W80 WeakPolarHBondContact O-CB 3.5Å; A77-W80 PolarHBondContact O-N 3.18Å; A77-W80 VanDerWaalsContact O-N 3.09Å; A77-E81 WeakPolarHBondContact O-CG 3.17Å; A77-E81 PolarHBondContact O-N 2.85Å
78	N	98.7	Very high	98	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-33.9	176.2	-175	-119.9	0	0	0	113.3	F45 P46 D47 T50 I52 L56 L74 Y75 I76 E81	F45-N78 WeakPolarHBondContact CD1-OD1 3.45Å; F45-N78 WeakPolarHBondContact CE1-O 3.45Å; P46-N78 WeakPolarHBondContact CA-OD1 3.35Å; P46-N78 WeakPolarHBondContact CB-OD1 3.34Å; D47-N78 PolarHBondContact N-OD1 3.36Å; D47-N78 PolarHBondContact O-ND2 3.26Å; T50-N78 PolarHBondContact OG1-ND2 3.02Å; T50-N78 VanDerWaalsContact OG1-ND2 3.12Å; I52-N78 HydrophobicContact CB-CB 4.46Å; I52-N78 HydrophobicContact CG2-CB 3.91Å; L56-N78 HydrophobicContact CD1-CB 3.9Å; L74-N78 WeakPolarHBondContact O-CB 3.36Å; L74-N78 PolarHBondContact O-N 2.82Å; Y75-N78 PolarHBondContact O-N 2.98Å; I76-N78 VanDerWaalsContact C-N 3.27Å; I76-N78 PolarHBondContact O-N 2.91Å; N78-E81 WeakPolarHBondContact CA-OE2 3.42Å; N78-E81 PolarHBondContact ND2-OE2 2.84Å; N78-E81 WeakPolarHBondContact O-CB 3.5Å; N78-E81 PolarHBondContact O-N 3.46Å
79	R	98.6	Very high	98.3	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.015	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-39	169.7	-76	-173.8	-76.6	-76.3	-3.3	112.3	F45 Y75 I76 A77 E81 R82 Q83 Y101 E128 L131	F45-R79 HydrophobicContact CD1-CG 3.87Å; F45-R79 HydrophobicContact CD2-CG 4.14Å; F45-R79 HydrophobicContact CE1-CB 4.3Å; F45-R79 HydrophobicContact CE1-CG 3.92Å; F45-R79 HydrophobicContact CE2-CG 4.16Å; F45-R79 HydrophobicContact CG-CG 3.98Å; F45-R79 HydrophobicContact CZ-CB 4.37Å; F45-R79 HydrophobicContact CZ-CG 4.04Å; Y75-R79 PolarHBondContact O-N 3.11Å; Y75-R79 VanDerWaalsContact O-N 3.11Å; I76-R79 WeakPolarHBondContact O-CA 3.37Å; I76-R79 WeakPolarHBondContact O-CB 3.31Å; I76-R79 PolarHBondContact O-N 3.01Å; A77-R79 VanDerWaalsContact C-N 3.33Å; A77-R79 PolarHBondContact O-N 3.49Å; R79-E81 VanDerWaalsContact C-N 3.3Å; R79-E81 PolarHBondContact O-N 2.77Å; R79-R82 PolarHBondContact O-N 2.94Å; R79-R82 VanDerWaalsContact O-N 3.15Å; R79-Q83 PolarHBondContact O-N 3.39Å; R79-Q83 PolarHBondContact O-NE2 3.45Å; R79-Y101 HydrophobicContact CB-CE2 4.39Å; R79-Y101 HydrophobicContact CG-CD2 4.09Å; R79-Y101 HydrophobicContact CG-CE2 4.12Å; R79-Y101 PolarHBondContact NH1-O 3.26Å; R79-E128 IonicContact CZ-OE1 3.97Å; R79-E128 IonicContact CZ-OE2 2.85Å; R79-E128 IonicContact NE-OE2 3.22Å; R79-E128 PolarHBondContact NE-OE2 3.43Å; R79-E128 IonicContact NH2-OE1 2.73Å; R79-E128 PolarHBondContact NH2-OE1 2.81Å; R79-E128 IonicContact NH2-OE2 3.43Å; R79-E128 PolarHBondContact NH2-OE2 3.37Å; R79-L131 HydrophobicContact CB-CD1 4.22Å; R79-L131 HydrophobicContact CB-CD2 4.1Å
80	W	98.5	Very high	98.4	Very high	122 Å²	122	41.1 Å²	41.1	46%	0.462	22%	0.217	S	C	.	.	H	α-helix	trans	-62.4	-33.4	174.4	-82.8	104.1	0	0	0	113.2	I76 A77 R82 Q83 G130 L131	I76-W80 VanDerWaalsContact CG2-CD1 3.47Å; I76-W80 VanDerWaalsContact O-CD1 3.3Å; I76-W80 PolarHBondContact O-N 3.02Å; A77-W80 CarbonylContact O-C 3.39Å; A77-W80 WeakPolarHBondContact O-CA 3.39Å; A77-W80 WeakPolarHBondContact O-CB 3.5Å; A77-W80 PolarHBondContact O-N 3.18Å; A77-W80 VanDerWaalsContact O-N 3.09Å; W80-R82 PolarHBondContact O-N 2.78Å; W80-Q83 HydrophobicContact CD2-CG 3.94Å; W80-Q83 HydrophobicContact CE3-CB 3.88Å; W80-Q83 HydrophobicContact CE3-CG 3.53Å; W80-Q83 HydrophobicContact CG-CG 4.44Å; W80-Q83 HydrophobicContact CZ3-CB 4.14Å; W80-Q83 HydrophobicContact CZ3-CG 3.93Å; W80-Q83 PolarHBondContact O-N 2.95Å; W80-G130 WeakPolarHBondContact CH2-O 3.32Å; W80-L131 HydrophobicContact CD2-CD2 3.87Å; W80-L131 HydrophobicContact CG-CD2 4.01Å; W80-L131 HydrophobicContact CZ2-CD2 4.07Å; W80-L131 HydrophobicContact CZ2-CG 4.33Å
81	E	98.4	Very high	98.3	Very high	80 Å²	80	46.8 Å²	46.8	37%	0.374	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-21.8	173.5	-67	179.9	118.3	0	0	113	T50 I52 A77 N78 R79	T50-E81 WeakPolarHBondContact CB-OE1 3.42Å; T50-E81 WeakPolarHBondContact CB-OE2 3.46Å; T50-E81 PolarHBondContact OG1-OE1 3.5Å; T50-E81 PolarHBondContact OG1-OE2 3.49Å; I52-E81 HydrophobicContact CD1-CG 4.32Å; A77-E81 WeakPolarHBondContact O-CG 3.17Å; A77-E81 PolarHBondContact O-N 2.85Å; N78-E81 WeakPolarHBondContact CA-OE2 3.42Å; N78-E81 PolarHBondContact ND2-OE2 2.84Å; N78-E81 WeakPolarHBondContact O-CB 3.5Å; N78-E81 PolarHBondContact O-N 3.46Å; R79-E81 VanDerWaalsContact C-N 3.3Å; R79-E81 PolarHBondContact O-N 2.77Å
82	R	98.2	Very high	98.3	Very high	63 Å²	63	49.4 Å²	49.4	24%	0.238	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-4.7	-177.1	-63.8	-66.4	-173.9	164.8	-2.5	114.4	I43 F45 D47 R79 W80 D84 E85 I86	I43-R82 HydrophobicContact CD1-CB 4.43Å; I43-R82 HydrophobicContact CG2-CG 4.46Å; F45-R82 HydrophobicContact CE1-CB 4.18Å; F45-R82 HydrophobicContact CE1-CG 3.83Å; F45-R82 HydrophobicContact CZ-CB 3.76Å; F45-R82 HydrophobicContact CZ-CG 3.84Å; D47-R82 IonicContact OD1-NH2 2.73Å; D47-R82 IonicContact OD2-CZ 3.66Å; D47-R82 IonicContact OD2-NE 3.55Å; D47-R82 PolarHBondContact OD2-NE 3.4Å; D47-R82 IonicContact OD2-NH2 2.62Å; D47-R82 PolarHBondContact OD2-NH2 3.34Å; R79-R82 PolarHBondContact O-N 2.94Å; R79-R82 VanDerWaalsContact O-N 3.15Å; W80-R82 PolarHBondContact O-N 2.78Å; R82-D84 PolarHBondContact O-N 3.22Å; R82-E85 WeakPolarHBondContact CD-OE2 3.27Å; R82-E85 IonicContact CZ-OE2 3.5Å; R82-E85 IonicContact NE-OE2 3.95Å; R82-E85 IonicContact NH1-OE1 2.75Å; R82-E85 PolarHBondContact NH1-OE1 3.17Å; R82-E85 IonicContact NH1-OE2 2.8Å; R82-E85 PolarHBondContact NH1-OE2 3.39Å; R82-E85 PolarHBondContact O-N 2.92Å; R82-I86 HydrophobicContact CB-CD1 4.27Å; R82-I86 VanDerWaalsContact O-CG1 3.29Å; R82-I86 WeakPolarHBondContact O-CG1 3.27Å; R82-I86 PolarHBondContact O-N 2.69Å
83	Q	97.9	Very high	98.1	Very high	7 Å²	7	49.9 Å²	49.9	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-42.7	-172.7	-74.2	-58.3	-69.4	0	0	113.6	R79 W80 E85 I86 S87 Y101 L131	R79-Q83 PolarHBondContact O-N 3.39Å; R79-Q83 PolarHBondContact O-NE2 3.45Å; W80-Q83 HydrophobicContact CD2-CG 3.94Å; W80-Q83 HydrophobicContact CE3-CB 3.88Å; W80-Q83 HydrophobicContact CE3-CG 3.53Å; W80-Q83 HydrophobicContact CG-CG 4.44Å; W80-Q83 HydrophobicContact CZ3-CB 4.14Å; W80-Q83 HydrophobicContact CZ3-CG 3.93Å; W80-Q83 PolarHBondContact O-N 2.95Å; Q83-E85 VanDerWaalsContact C-N 3.31Å; Q83-E85 PolarHBondContact O-N 3.18Å; Q83-I86 PolarHBondContact O-N 3.12Å; Q83-S87 WeakPolarHBondContact O-CB 3.41Å; Q83-S87 PolarHBondContact O-N 2.78Å; Q83-Y101 PolarHBondContact NE2-OH 3.5Å; Q83-Y101 PolarHBondContact OE1-OH 3.01Å; Q83-L131 HydrophobicContact CG-CD2 3.57Å
84	D	98.2	Very high	98.1	Very high	133 Å²	133	48.5 Å²	48.5	71%	0.711	25%	0.254	S	S	*	.	H	α-helix	trans	-65.7	-36.8	179.8	-72.9	-16.5	0	0	0	111.7	R82 S88	R82-D84 PolarHBondContact O-N 3.22Å; D84-S88 VanDerWaalsContact O-CB 3.25Å; D84-S88 WeakPolarHBondContact O-CB 3.37Å; D84-S88 PolarHBondContact O-N 3.49Å; D84-S88 PolarHBondContact O-OG 2.93Å
85	E	98.5	Very high	98.1	Very high	77 Å²	77	46.4 Å²	46.4	36%	0.36	24%	0.243	S	C	.	.	H	α-helix	trans	-65.2	-48.8	175.1	-176	-177.9	-147.2	0	0	110.8	L41 R82 Q83 S87 S88 A89	L41-E85 HydrophobicContact CD2-CG 3.88Å; R82-E85 WeakPolarHBondContact CD-OE2 3.27Å; R82-E85 IonicContact CZ-OE2 3.5Å; R82-E85 IonicContact NE-OE2 3.95Å; R82-E85 IonicContact NH1-OE1 2.75Å; R82-E85 PolarHBondContact NH1-OE1 3.17Å; R82-E85 IonicContact NH1-OE2 2.8Å; R82-E85 PolarHBondContact NH1-OE2 3.39Å; R82-E85 PolarHBondContact O-N 2.92Å; Q83-E85 VanDerWaalsContact C-N 3.31Å; Q83-E85 PolarHBondContact O-N 3.18Å; E85-S87 PolarHBondContact O-N 3.41Å; E85-S88 PolarHBondContact O-N 3.35Å; E85-A89 VanDerWaalsContact O-CB 3.31Å; E85-A89 WeakPolarHBondContact O-CB 3.48Å; E85-A89 PolarHBondContact O-N 3.32Å
86	I	98.7	Very high	98.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.4	-49.2	176.3	-64.5	169.3	0	0	0	109.9	F10 I43 R82 Q83 S88 A89 L90 V96 Y101 L132	F10-I86 HydrophobicContact CD1-CG2 4.36Å; F10-I86 HydrophobicContact CE1-CG2 4.15Å; F10-I86 HydrophobicContact CZ-CG2 4.26Å; I43-I86 HydrophobicContact CD1-CD1 3.82Å; I43-I86 HydrophobicContact CD1-CG1 3.5Å; R82-I86 HydrophobicContact CB-CD1 4.27Å; R82-I86 VanDerWaalsContact O-CG1 3.29Å; R82-I86 WeakPolarHBondContact O-CG1 3.27Å; R82-I86 PolarHBondContact O-N 2.69Å; Q83-I86 PolarHBondContact O-N 3.12Å; I86-S88 VanDerWaalsContact C-N 3.34Å; I86-S88 PolarHBondContact O-N 3.38Å; I86-A89 PolarHBondContact O-N 3.09Å; I86-L90 HydrophobicContact CG2-CD1 3.8Å; I86-L90 HydrophobicContact CG2-CG 4.4Å; I86-L90 WeakPolarHBondContact O-CG 3.49Å; I86-L90 PolarHBondContact O-N 3.04Å; I86-V96 HydrophobicContact CG1-CG1 4.19Å; I86-V96 HydrophobicContact CG2-CG1 4.29Å; I86-V96 HydrophobicContact CG2-CG2 4.29Å; I86-Y101 HydrophobicContact CD1-CE2 4.46Å; I86-L132 HydrophobicContact CB-CD1 4.24Å; I86-L132 HydrophobicContact CG2-CD1 3.76Å
87	S	98.4	Very high	98.1	Very high	25 Å²	25	43.9 Å²	43.9	18%	0.175	23%	0.232	C	C	.	.	H	α-helix	trans	-58.6	-45.5	179.2	-164.9	0	0	0	0	112	Q83 E85 K91	Q83-S87 WeakPolarHBondContact O-CB 3.41Å; Q83-S87 PolarHBondContact O-N 2.78Å; E85-S87 PolarHBondContact O-N 3.41Å; S87-K91 WeakPolarHBondContact O-CB 3.39Å; S87-K91 VanDerWaalsContact O-CG 3.27Å; S87-K91 WeakPolarHBondContact O-CG 3.48Å; S87-K91 PolarHBondContact O-N 3.45Å; S87-K91 WeakPolarHBondContact OG-CE 3.31Å; S87-K91 PolarHBondContact OG-NZ 3.46Å
88	S	98.4	Very high	98.1	Very high	74 Å²	74	42.1 Å²	42.1	52%	0.517	22%	0.218	S	C	.	.	H	α-helix	trans	-68.7	-42.6	-177.8	-59.5	0	0	0	0	111.7	D84 E85 I86 K91 A92	D84-S88 VanDerWaalsContact O-CB 3.25Å; D84-S88 WeakPolarHBondContact O-CB 3.37Å; D84-S88 PolarHBondContact O-N 3.49Å; D84-S88 PolarHBondContact O-OG 2.93Å; E85-S88 PolarHBondContact O-N 3.35Å; I86-S88 VanDerWaalsContact C-N 3.34Å; I86-S88 PolarHBondContact O-N 3.38Å; S88-K91 PolarHBondContact O-N 3.13Å; S88-A92 WeakPolarHBondContact O-CB 3.27Å; S88-A92 PolarHBondContact O-N 2.63Å
89	A	98.5	Very high	98.1	Very high	13 Å²	13	43 Å²	43	11%	0.107	22%	0.222	C	C	.	.	H	α-helix	trans	-59.1	-51.6	175.9	0	0	0	0	0	110.8	L41 E85 I86 K91 A92 G93 I94 V96	L41-A89 HydrophobicContact CD2-CB 4.18Å; E85-A89 VanDerWaalsContact O-CB 3.31Å; E85-A89 WeakPolarHBondContact O-CB 3.48Å; E85-A89 PolarHBondContact O-N 3.32Å; I86-A89 PolarHBondContact O-N 3.09Å; A89-K91 PolarHBondContact O-N 3.42Å; A89-A92 CarbonylContact O-C 3.37Å; A89-A92 WeakPolarHBondContact O-CA 2.9Å; A89-A92 WeakPolarHBondContact O-CB 3.44Å; A89-A92 PolarHBondContact O-N 2.91Å; A89-G93 PolarHBondContact O-N 3.34Å; A89-I94 CarbonylContact C-O 3.55Å; A89-I94 VanDerWaalsContact C-O 3.32Å; A89-I94 HydrophobicContact CB-CB 4.1Å; A89-I94 HydrophobicContact CB-CG2 4.29Å; A89-I94 WeakPolarHBondContact O-CA 3.33Å; A89-I94 WeakPolarHBondContact O-CB 3.43Å; A89-I94 PolarHBondContact O-N 2.84Å; A89-V96 HydrophobicContact CB-CG2 3.84Å
90	L	97.9	Very high	98.1	Very high	11 Å²	11	44.5 Å²	44.5	6%	0.058	23%	0.228	C	C	.	.	H	α-helix	trans	-58.4	-47.5	179.4	-65.3	170	0	0	0	111	R7 G8 L9 F10 I86 A92 G93 I94 V96 L132	R7-L90 CarbonylContact C-O 3.55Å; R7-L90 WeakPolarHBondContact CA-O 3.37Å; R7-L90 VanDerWaalsContact CB-O 3.24Å; R7-L90 WeakPolarHBondContact CB-O 3.4Å; G8-L90 PolarHBondContact N-O 2.78Å; G8-L90 VanDerWaalsContact O-CD2 3.26Å; G8-L90 WeakPolarHBondContact O-CD2 3.42Å; L9-L90 WeakPolarHBondContact O-CD2 3.32Å; F10-L90 HydrophobicContact CB-CD1 3.91Å; F10-L90 HydrophobicContact CB-CD2 3.8Å; F10-L90 HydrophobicContact CD1-CD1 4.12Å; F10-L90 HydrophobicContact CG-CD1 4.16Å; I86-L90 HydrophobicContact CG2-CD1 3.8Å; I86-L90 HydrophobicContact CG2-CG 4.4Å; I86-L90 WeakPolarHBondContact O-CG 3.49Å; I86-L90 PolarHBondContact O-N 3.04Å; L90-A92 VanDerWaalsContact C-N 3.25Å; L90-A92 PolarHBondContact O-N 3.2Å; L90-G93 PolarHBondContact O-N 3.2Å; L90-I94 WeakPolarHBondContact CA-O 3.46Å; L90-I94 PolarHBondContact N-O 3.29Å; L90-V96 HydrophobicContact CD2-CB 4.17Å; L90-V96 HydrophobicContact CD2-CG2 3.74Å; L90-V96 HydrophobicContact CG-CG2 3.86Å; L90-L132 HydrophobicContact CD1-CD1 4.49Å
91	K	97	Very high	98.1	Very high	160 Å²	160	38.7 Å²	38.7	70%	0.696	21%	0.206	S	C	*	.	H	α-helix	trans	-61	-32.3	176.7	-73.4	169.5	-176.5	164.7	0	113.2	S87 S88 A89 G93	S87-K91 WeakPolarHBondContact O-CB 3.39Å; S87-K91 VanDerWaalsContact O-CG 3.27Å; S87-K91 WeakPolarHBondContact O-CG 3.48Å; S87-K91 PolarHBondContact O-N 3.45Å; S87-K91 WeakPolarHBondContact OG-CE 3.31Å; S87-K91 PolarHBondContact OG-NZ 3.46Å; S88-K91 PolarHBondContact O-N 3.13Å; A89-K91 PolarHBondContact O-N 3.42Å; K91-G93 PolarHBondContact O-N 2.78Å
92	A	96.3	Very high	98.1	Very high	55 Å²	55	35 Å²	35	46%	0.455	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	3.8	174.8	0	0	0	0	0	113.4	K38 S88 A89 L90 I94	K38-A92 PolarHBondContact NZ-O 2.77Å; S88-A92 WeakPolarHBondContact O-CB 3.27Å; S88-A92 PolarHBondContact O-N 2.63Å; A89-A92 CarbonylContact O-C 3.37Å; A89-A92 WeakPolarHBondContact O-CA 2.9Å; A89-A92 WeakPolarHBondContact O-CB 3.44Å; A89-A92 PolarHBondContact O-N 2.91Å; L90-A92 VanDerWaalsContact C-N 3.25Å; L90-A92 PolarHBondContact O-N 3.2Å; A92-I94 VanDerWaalsContact C-N 3.29Å; A92-I94 HydrophobicContact CB-CD1 4.26Å; A92-I94 HydrophobicContact CB-CG1 4.28Å
93	G	95.4	Very high	98.1	Very high	10 Å²	10	32.2 Å²	32.2	10%	0.103	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	18.4	-176.1	0	0	0	0	0	113.3	K38 A89 L90 K91	K38-G93 WeakPolarHBondContact CD-O 3.35Å; A89-G93 PolarHBondContact O-N 3.34Å; L90-G93 PolarHBondContact O-N 3.2Å; K91-G93 PolarHBondContact O-N 2.78Å
94	I	98	Very high	98.1	Very high	48 Å²	48	32.2 Å²	32.2	25%	0.246	18%	0.179	C	C	.	.			trans	-94.4	119.8	176.3	-59.2	173.8	0	0	0	107.8	K38 Q39 A89 L90 A92	K38-I94 HydrophobicContact CB-CG1 4.33Å; K38-I94 HydrophobicContact CD-CG1 4.29Å; Q39-I94 WeakPolarHBondContact O-CG2 3.41Å; A89-I94 CarbonylContact C-O 3.55Å; A89-I94 VanDerWaalsContact C-O 3.32Å; A89-I94 HydrophobicContact CB-CB 4.1Å; A89-I94 HydrophobicContact CB-CG2 4.29Å; A89-I94 WeakPolarHBondContact O-CA 3.33Å; A89-I94 WeakPolarHBondContact O-CB 3.43Å; A89-I94 PolarHBondContact O-N 2.84Å; L90-I94 WeakPolarHBondContact CA-O 3.46Å; L90-I94 PolarHBondContact N-O 3.29Å; A92-I94 VanDerWaalsContact C-N 3.29Å; A92-I94 HydrophobicContact CB-CD1 4.26Å; A92-I94 HydrophobicContact CB-CG1 4.28Å
95	S	98.3	Very high	98.1	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.014	15%	0.148	C	C	.	.			trans	-68.9	146.8	175.2	-60.1	0	0	0	0	111.2	L9 A40 L41	L9-S95 PolarHBondContact N-OG 2.83Å; L9-S95 CarbonylContact O-C 3.59Å; L9-S95 WeakPolarHBondContact O-CA 3.44Å; L9-S95 WeakPolarHBondContact O-CB 3.49Å; A40-S95 CarbonylContact C-O 3.57Å; A40-S95 VanDerWaalsContact CA-O 3.25Å; A40-S95 WeakPolarHBondContact CA-O 3.42Å; A40-S95 WeakPolarHBondContact CB-O 3.2Å; L41-S95 PolarHBondContact N-O 3.47Å
96	V	98.8	Very high	98.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.7	179.7	-175	0	0	0	0	108.5	L9 F10 V11 L41 I43 I86 A89 L90 V98	L9-V96 PolarHBondContact O-N 2.84Å; F10-V96 CarbonylContact C-O 3.55Å; F10-V96 WeakPolarHBondContact CA-O 3.38Å; F10-V96 HydrophobicContact CD2-CB 4.16Å; F10-V96 HydrophobicContact CD2-CG1 4.28Å; F10-V96 HydrophobicContact CE2-CG1 4.43Å; V11-V96 PolarHBondContact N-O 2.81Å; L41-V96 HydrophobicContact CB-CG1 4.38Å; L41-V96 HydrophobicContact CB-CG2 4.2Å; L41-V96 HydrophobicContact CD2-CG1 4.27Å; L41-V96 HydrophobicContact CD2-CG2 4.24Å; L41-V96 HydrophobicContact CG-CG1 4.39Å; L41-V96 CarbonylContact O-C 3.32Å; L41-V96 WeakPolarHBondContact O-CA 3.48Å; I43-V96 HydrophobicContact CD1-CG1 4.19Å; I86-V96 HydrophobicContact CG1-CG1 4.19Å; I86-V96 HydrophobicContact CG2-CG1 4.29Å; I86-V96 HydrophobicContact CG2-CG2 4.29Å; A89-V96 HydrophobicContact CB-CG2 3.84Å; L90-V96 HydrophobicContact CD2-CB 4.17Å; L90-V96 HydrophobicContact CD2-CG2 3.74Å; L90-V96 HydrophobicContact CG-CG2 3.86Å; V96-V98 HydrophobicContact CG1-CG2 3.82Å
97	V	98.9	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.5	173.5	-174.1	0	0	0	0	108.4	V11 F13 L28 Q29 L32 L41 L42 I43	V11-V97 CarbonylContact O-C 3.57Å; V11-V97 WeakPolarHBondContact O-CA 3.43Å; F13-V97 HydrophobicContact CD2-CG1 3.8Å; F13-V97 HydrophobicContact CE2-CG1 3.65Å; L28-V97 HydrophobicContact CB-CG2 4.49Å; L28-V97 HydrophobicContact CD2-CG1 4.23Å; L28-V97 HydrophobicContact CD2-CG2 4.07Å; L28-V97 HydrophobicContact CG-CG2 4.05Å; Q29-V97 HydrophobicContact CB-CB 4.43Å; Q29-V97 HydrophobicContact CB-CG2 4.23Å; L32-V97 HydrophobicContact CD1-CG2 3.75Å; L41-V97 PolarHBondContact O-N 3.48Å; L42-V97 WeakPolarHBondContact CA-O 3.26Å; L42-V97 HydrophobicContact CD1-CB 4.15Å; L42-V97 HydrophobicContact CD1-CG1 4.15Å; I43-V97 PolarHBondContact N-O 2.84Å
98	V	98.8	Very high	97.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	124.7	-175.1	-179.5	0	0	0	0	111.1	F10 V11 V12 F13 I43 F45 V96 R100 Y101	F10-V98 HydrophobicContact CD2-CG2 4.35Å; F10-V98 HydrophobicContact CE2-CB 4.22Å; F10-V98 HydrophobicContact CE2-CG2 3.52Å; F10-V98 HydrophobicContact CZ-CG2 4.35Å; V11-V98 PolarHBondContact O-N 3.09Å; V12-V98 CarbonylContact C-O 3.42Å; V12-V98 WeakPolarHBondContact CA-O 3.45Å; V12-V98 HydrophobicContact CG2-CB 4.24Å; F13-V98 PolarHBondContact N-O 2.86Å; I43-V98 HydrophobicContact CB-CG2 4.19Å; I43-V98 CarbonylContact O-C 3.47Å; I43-V98 VanDerWaalsContact O-CA 3.27Å; I43-V98 WeakPolarHBondContact O-CA 3.21Å; F45-V98 HydrophobicContact CD2-CG1 3.58Å; F45-V98 HydrophobicContact CE2-CG1 3.75Å; V96-V98 HydrophobicContact CG1-CG2 3.82Å; V98-R100 VanDerWaalsContact CG1-O 3.27Å; V98-R100 WeakPolarHBondContact CG1-O 3.41Å; V98-Y101 HydrophobicContact CG1-CD2 4.08Å; V98-Y101 HydrophobicContact CG1-CG 4.42Å
99	D	98.4	Very high	97.8	Very high	19 Å²	19	19.7 Å²	19.7	10%	0.102	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	111.3	169.4	-176.2	6	0	0	0	109.5	K21 I43 H44 F45	K21-D99 WeakPolarHBondContact CB-OD1 3.24Å; K21-D99 WeakPolarHBondContact CE-OD1 3.38Å; I43-D99 PolarHBondContact O-N 3.01Å; H44-D99 WeakPolarHBondContact ND1-CB 3.36Å; H44-D99 IonicContact ND1-OD2 3.86Å; H44-D99 PolarHBondContact ND1-OD2 2.92Å; F45-D99 PolarHBondContact N-O 3.4Å
100	R	98	Very high	97.8	Very high	35 Å²	35	19.1 Å²	19.1	13%	0.132	10%	0.103	C	C	.	.	S	Bend	trans	64.9	131.9	-169.9	-52.7	-170.8	169.5	-67.7	0.8	113.4	F13 G15 E17 K21 F45 V98 S104	F13-R100 WeakPolarHBondContact O-CA 3.31Å; F13-R100 PolarHBondContact O-N 2.94Å; G15-R100 PolarHBondContact O-NH1 3.28Å; G15-R100 PolarHBondContact O-NH2 3.38Å; E17-R100 IonicContact OE1-CZ 3.13Å; E17-R100 IonicContact OE1-NE 3.67Å; E17-R100 IonicContact OE1-NH2 3.92Å; E17-R100 PolarHBondContact OE1-NH2 3.08Å; E17-R100 IonicContact OE2-NH2 3.75Å; K21-R100 VanDerWaalsContact CE-NH2 3.32Å; F45-R100 WeakPolarHBondContact CB-O 3.32Å; F45-R100 VanDerWaalsContact CD2-O 3.27Å; F45-R100 WeakPolarHBondContact CD2-O 3.41Å; V98-R100 VanDerWaalsContact CG1-O 3.27Å; V98-R100 WeakPolarHBondContact CG1-O 3.41Å; R100-S104 WeakPolarHBondContact CB-OG 3.36Å; R100-S104 WeakPolarHBondContact CG-OG 3.19Å; R100-S104 PolarHBondContact NH1-OG 3.3Å
101	Y	98.7	Very high	97.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.1	C	C	.	.			trans	-140.9	-143	176	-166	-122.8	0	0	0	110.9	F10 V12 E14 F45 R79 Q83 I86 V98 Y103 S104 G105 L132	F10-Y101 HydrophobicContact CE1-CE1 4.31Å; F10-Y101 HydrophobicContact CZ-CD1 4.35Å; F10-Y101 AromaticContact CZ-CE1 3.94Å; F10-Y101 HydrophobicContact CZ-CE1 3.94Å; F10-Y101 HydrophobicContact CZ-CE2 4.28Å; F10-Y101 AromaticContact CZ-CZ 3.87Å; V12-Y101 HydrophobicContact CG2-CD1 4.18Å; V12-Y101 HydrophobicContact CG2-CG 4.25Å; E14-Y101 PolarHBondContact OE1-N 3.44Å; F45-Y101 AromaticContact CD2-CD2 3.87Å; F45-Y101 HydrophobicContact CD2-CD2 3.87Å; F45-Y101 AromaticContact CE2-CD2 3.65Å; F45-Y101 HydrophobicContact CE2-CD2 3.65Å; F45-Y101 AromaticContact CE2-CE2 3.94Å; F45-Y101 HydrophobicContact CE2-CE2 3.94Å; R79-Y101 HydrophobicContact CB-CE2 4.39Å; R79-Y101 HydrophobicContact CG-CD2 4.09Å; R79-Y101 HydrophobicContact CG-CE2 4.12Å; R79-Y101 PolarHBondContact NH1-O 3.26Å; Q83-Y101 PolarHBondContact NE2-OH 3.5Å; Q83-Y101 PolarHBondContact OE1-OH 3.01Å; I86-Y101 HydrophobicContact CD1-CE2 4.46Å; V98-Y101 HydrophobicContact CG1-CD2 4.08Å; V98-Y101 HydrophobicContact CG1-CG 4.42Å; Y101-Y103 HydrophobicContact CD1-CE2 4.29Å; Y101-Y103 PolarHBondContact O-N 2.51Å; Y101-S104 WeakPolarHBondContact O-CB 3.41Å; Y101-S104 PolarHBondContact O-N 2.84Å; Y101-G105 PolarHBondContact O-N 2.91Å; Y101-L132 VanDerWaalsContact CE1-O 3.31Å; Y101-L132 WeakPolarHBondContact CE1-O 3.45Å; Y101-L132 PolarHBondContact OH-O 3.42Å
102	S	98.5	Very high	97.5	Very high	3 Å²	3	13 Å²	13	2%	0.021	8%	0.076	C	C	.	.	H	α-helix	trans	-55.6	-36.7	179.1	-68.2	0	0	0	0	113.1	G105 I106 E128 L131	S102-G105 WeakPolarHBondContact O-CA 3.49Å; S102-G105 PolarHBondContact O-N 2.82Å; S102-I106 WeakPolarHBondContact O-CG1 3.41Å; S102-I106 PolarHBondContact O-N 2.98Å; S102-E128 WeakPolarHBondContact CA-OE2 3.34Å; S102-E128 VanDerWaalsContact CB-OE2 3.24Å; S102-E128 WeakPolarHBondContact CB-OE2 3.48Å; S102-E128 PolarHBondContact OG-OE2 2.64Å; S102-L131 WeakPolarHBondContact OG-CD1 3.41Å
103	Y	98.4	Very high	97.3	Very high	4 Å²	4	11.5 Å²	11.5	2%	0.016	6%	0.06	C	C	.	.	H	α-helix	trans	-70.9	-39.5	-174.8	-38.9	-69.6	0	0	0	111.9	V12 E14 Y101 G105 I106 A107 Q133 P134 I137 L175 M179 W197	V12-Y103 HydrophobicContact CB-CE2 4.49Å; V12-Y103 HydrophobicContact CG1-CD2 4.12Å; V12-Y103 HydrophobicContact CG1-CE2 4.24Å; E14-Y103 HydrophobicContact CG-CD2 3.9Å; E14-Y103 HydrophobicContact CG-CG 4.34Å; E14-Y103 WeakPolarHBondContact OE1-CB 3.35Å; E14-Y103 WeakPolarHBondContact OE1-CD2 3.07Å; Y101-Y103 HydrophobicContact CD1-CE2 4.29Å; Y101-Y103 PolarHBondContact O-N 2.51Å; Y103-G105 VanDerWaalsContact C-N 3.29Å; Y103-G105 PolarHBondContact O-N 2.92Å; Y103-I106 PolarHBondContact O-N 3.43Å; Y103-A107 WeakPolarHBondContact O-CB 3.36Å; Y103-A107 PolarHBondContact O-N 3.06Å; Y103-Q133 PolarHBondContact OH-OE1 2.95Å; Y103-P134 HydrophobicContact CE2-CG 3.98Å; Y103-P134 WeakPolarHBondContact OH-CD 3.36Å; Y103-P134 VanDerWaalsContact OH-CG 3.27Å; Y103-P134 WeakPolarHBondContact OH-CG 3.3Å; Y103-I137 HydrophobicContact CD1-CD1 4.19Å; Y103-I137 HydrophobicContact CD2-CD1 3.82Å; Y103-I137 HydrophobicContact CD2-CG1 4.25Å; Y103-I137 HydrophobicContact CD2-CG2 4.17Å; Y103-I137 HydrophobicContact CE1-CD1 3.73Å; Y103-I137 HydrophobicContact CE2-CD1 3.3Å; Y103-I137 HydrophobicContact CE2-CG1 3.69Å; Y103-I137 HydrophobicContact CE2-CG2 4.45Å; Y103-I137 HydrophobicContact CG-CD1 4.23Å; Y103-L175 HydrophobicContact CD1-CD2 3.92Å; Y103-L175 HydrophobicContact CG-CD2 4.39Å; Y103-M179 HydrophobicContact CD1-SD 3.97Å; Y103-M179 HydrophobicContact CE1-CE 3.69Å; Y103-M179 HydrophobicContact CE1-SD 3.69Å; Y103-W197 HydrophobicContact CD1-CH2 4.34Å; Y103-W197 AromaticContact CD1-CZ2 3.77Å; Y103-W197 HydrophobicContact CD1-CZ2 3.77Å; Y103-W197 HydrophobicContact CE1-CZ2 4.44Å; Y103-W197 HydrophobicContact CG-CH2 4.01Å; Y103-W197 AromaticContact CG-CZ2 3.87Å; Y103-W197 HydrophobicContact CG-CZ2 3.87Å
104	S	97.9	Very high	96.8	Very high	7 Å²	7	18 Å²	18	5%	0.049	9%	0.087	C	C	.	.	H	α-helix	trans	-54.3	-46.1	165	-92.5	0	0	0	0	111.2	E14 R100 Y101 N108 Y172	E14-S104 VanDerWaalsContact CD-N 3.31Å; E14-S104 PolarHBondContact OE1-N 3.17Å; E14-S104 WeakPolarHBondContact OE2-CA 3.25Å; E14-S104 WeakPolarHBondContact OE2-CB 3.45Å; E14-S104 PolarHBondContact OE2-N 3.47Å; E14-S104 PolarHBondContact OE2-OG 3.06Å; R100-S104 WeakPolarHBondContact CB-OG 3.36Å; R100-S104 WeakPolarHBondContact CG-OG 3.19Å; R100-S104 PolarHBondContact NH1-OG 3.3Å; Y101-S104 WeakPolarHBondContact O-CB 3.41Å; Y101-S104 PolarHBondContact O-N 2.84Å; S104-N108 WeakPolarHBondContact O-CB 3.49Å; S104-N108 PolarHBondContact O-N 2.65Å; S104-N108 PolarHBondContact O-ND2 3.26Å; S104-Y172 WeakPolarHBondContact CA-OH 3.45Å; S104-Y172 PolarHBondContact OG-OH 3.05Å
105	G	97.8	Very high	96.4	Very high	5 Å²	5	21.2 Å²	21.2	5%	0.052	11%	0.111	C	C	.	.	H	α-helix	trans	-57	-51.1	178.8	0	0	0	0	0	112.9	H72 Y101 S102 Y103 T109	H72-G105 PolarHBondContact ND1-O 2.78Å; Y101-G105 PolarHBondContact O-N 2.91Å; S102-G105 WeakPolarHBondContact O-CA 3.49Å; S102-G105 PolarHBondContact O-N 2.82Å; Y103-G105 VanDerWaalsContact C-N 3.29Å; Y103-G105 PolarHBondContact O-N 2.92Å; G105-T109 VanDerWaalsContact O-CB 3.31Å; G105-T109 WeakPolarHBondContact O-CB 3.44Å; G105-T109 PolarHBondContact O-N 3.16Å; G105-T109 VanDerWaalsContact O-N 3.12Å; G105-T109 PolarHBondContact O-OG1 2.62Å
106	I	98.6	Very high	96.2	Very high	8 Å²	8	22.6 Å²	22.6	4%	0.041	12%	0.118	C	C	.	.	H	α-helix	trans	-59.9	-57.2	177.7	-65.2	159.3	0	0	0	110.6	S102 Y103 N108 T109 A110 W121 C124 R125 E128 L175	S102-I106 WeakPolarHBondContact O-CG1 3.41Å; S102-I106 PolarHBondContact O-N 2.98Å; Y103-I106 PolarHBondContact O-N 3.43Å; I106-N108 PolarHBondContact O-N 3.28Å; I106-T109 PolarHBondContact O-N 3.14Å; I106-A110 VanDerWaalsContact O-CB 3.3Å; I106-A110 WeakPolarHBondContact O-CB 3.49Å; I106-A110 PolarHBondContact O-N 2.86Å; I106-W121 HydrophobicContact CG2-CH2 4.1Å; I106-W121 HydrophobicContact CG2-CZ3 3.95Å; I106-C124 WeakPolarHBondContact CG1-O 3.41Å; I106-C124 HydrophobicContact CG2-CB 4.16Å; I106-R125 HydrophobicContact CD1-CG 4.42Å; I106-R125 HydrophobicContact CG2-CG 4.01Å; I106-E128 HydrophobicContact CD1-CB 4.44Å; I106-E128 HydrophobicContact CD1-CG 3.8Å; I106-E128 HydrophobicContact CG1-CG 3.68Å; I106-L175 HydrophobicContact CB-CD2 4.1Å; I106-L175 HydrophobicContact CD1-CD1 4.19Å; I106-L175 HydrophobicContact CD1-CD2 3.92Å; I106-L175 HydrophobicContact CG2-CD1 4.38Å; I106-L175 HydrophobicContact CG2-CD2 4.05Å
107	A	97.9	Very high	96.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.8	-41.3	-173.6	0	0	0	0	0	112.4	Y103 T109 A111 I168 Y172	Y103-A107 WeakPolarHBondContact O-CB 3.36Å; Y103-A107 PolarHBondContact O-N 3.06Å; A107-T109 VanDerWaalsContact C-N 3.34Å; A107-T109 PolarHBondContact O-N 3.11Å; A107-A111 VanDerWaalsContact O-CB 3.3Å; A107-A111 WeakPolarHBondContact O-CB 3.5Å; A107-A111 PolarHBondContact O-N 3.44Å; A107-I168 HydrophobicContact CB-CG2 4.19Å; A107-Y172 HydrophobicContact CB-CD1 3.91Å; A107-Y172 HydrophobicContact CB-CD2 4.31Å; A107-Y172 HydrophobicContact CB-CE1 3.93Å; A107-Y172 HydrophobicContact CB-CE2 4.31Å; A107-Y172 HydrophobicContact CB-CG 4.11Å
108	N	95.9	Very high	96.1	Very high	33 Å²	33	29.6 Å²	29.6	18%	0.176	16%	0.156	C	C	.	.	H	α-helix	trans	-67.5	-35	178.1	-83.8	-90.1	0	0	0	112.7	S104 I106 K112 I168	S104-N108 WeakPolarHBondContact O-CB 3.49Å; S104-N108 PolarHBondContact O-N 2.65Å; S104-N108 PolarHBondContact O-ND2 3.26Å; I106-N108 PolarHBondContact O-N 3.28Å; N108-K112 WeakPolarHBondContact O-CG 3.49Å; N108-I168 VanDerWaalsContact OD1-CD1 3.28Å; N108-I168 WeakPolarHBondContact OD1-CD1 2.87Å
109	T	96.9	Very high	96	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-78.8	-42.8	-178.1	-54	0	0	0	0	110.5	H72 G105 I106 A107 A111 K112 F113	H72-T109 HydrophobicContact CB-CG2 3.83Å; H72-T109 WeakPolarHBondContact ND1-CB 3.44Å; H72-T109 PolarHBondContact ND1-OG1 3.36Å; G105-T109 VanDerWaalsContact O-CB 3.31Å; G105-T109 WeakPolarHBondContact O-CB 3.44Å; G105-T109 PolarHBondContact O-N 3.16Å; G105-T109 VanDerWaalsContact O-N 3.12Å; G105-T109 PolarHBondContact O-OG1 2.62Å; I106-T109 PolarHBondContact O-N 3.14Å; A107-T109 VanDerWaalsContact C-N 3.34Å; A107-T109 PolarHBondContact O-N 3.11Å; T109-A111 PolarHBondContact O-N 2.98Å; T109-K112 WeakPolarHBondContact O-CB 3.24Å; T109-K112 PolarHBondContact O-N 2.7Å; T109-F113 HydrophobicContact CG2-CE2 3.8Å; T109-F113 HydrophobicContact CG2-CZ 4.29Å; T109-F113 WeakPolarHBondContact O-CD2 3.42Å; T109-F113 PolarHBondContact O-N 3.28Å
110	A	97.9	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-54.2	-41.5	169.8	0	0	0	0	0	111.9	I106 K112 F113 L116 W121 Y171	I106-A110 VanDerWaalsContact O-CB 3.3Å; I106-A110 WeakPolarHBondContact O-CB 3.49Å; I106-A110 PolarHBondContact O-N 2.86Å; A110-K112 PolarHBondContact O-N 3.06Å; A110-F113 PolarHBondContact O-N 3.13Å; A110-L116 HydrophobicContact CB-CD1 4.13Å; A110-L116 HydrophobicContact CB-CD2 4.04Å; A110-W121 HydrophobicContact CB-CE3 3.88Å; A110-W121 HydrophobicContact CB-CZ3 3.89Å; A110-Y171 HydrophobicContact CB-CD1 4.22Å; A110-Y171 HydrophobicContact CB-CD2 3.81Å; A110-Y171 HydrophobicContact CB-CE2 4.17Å; A110-Y171 HydrophobicContact CB-CG 3.86Å
111	A	95	Very high	95.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.4	177.3	0	0	0	0	0	115.7	A107 T109 F164 R167 I168 Y171	A107-A111 VanDerWaalsContact O-CB 3.3Å; A107-A111 WeakPolarHBondContact O-CB 3.5Å; A107-A111 PolarHBondContact O-N 3.44Å; T109-A111 PolarHBondContact O-N 2.98Å; A111-F164 HydrophobicContact CB-CD2 4.33Å; A111-F164 HydrophobicContact CB-CE1 4.44Å; A111-F164 HydrophobicContact CB-CE2 3.79Å; A111-F164 HydrophobicContact CB-CZ 3.85Å; A111-F164 WeakPolarHBondContact O-CE2 3.38Å; A111-R167 HydrophobicContact CB-CB 3.92Å; A111-R167 PolarHBondContact O-NE 3.17Å; A111-I168 HydrophobicContact CB-CG1 3.84Å; A111-Y171 HydrophobicContact CB-CD2 4.04Å; A111-Y171 HydrophobicContact CB-CE2 4.16Å
112	K	93.6	Very high	95.9	Very high	42 Å²	42	42 Å²	42	18%	0.183	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-26	175.9	-68.4	165.9	-173.3	149.6	0	112.6	N108 T109 A110 F159 F164	N108-K112 WeakPolarHBondContact O-CG 3.49Å; T109-K112 WeakPolarHBondContact O-CB 3.24Å; T109-K112 PolarHBondContact O-N 2.7Å; A110-K112 PolarHBondContact O-N 3.06Å; K112-F159 HydrophobicContact CD-CE1 4.13Å; K112-F159 VanDerWaalsContact CE-CE1 3.45Å; K112-F159 HydrophobicContact CG-CE1 4.15Å; K112-F164 HydrophobicContact CG-CE2 3.8Å; K112-F164 HydrophobicContact CG-CZ 3.78Å
113	F	92.2	Very high	95.9	Very high	25 Å²	25	43.9 Å²	43.9	11%	0.11	22%	0.218	C	C	.	.	S	Bend	trans	-81.8	118	172.6	-59.5	-58.2	0	0	0	109.5	P68 H69 T109 A110 L116 D120	P68-F113 HydrophobicContact CB-CE1 3.69Å; P68-F113 HydrophobicContact CB-CZ 3.75Å; P68-F113 HydrophobicContact CG-CE1 4.15Å; H69-F113 AromaticContact CE1-CE1 3.56Å; H69-F113 AromaticContact CE1-CZ 3.35Å; H69-F113 WeakPolarHBondContact CE1-CZ 3.37Å; H69-F113 AromaticContact ND1-CE1 3.97Å; H69-F113 AromaticContact ND1-CZ 3.71Å; H69-F113 AromaticContact NE2-CZ 3.64Å; T109-F113 HydrophobicContact CG2-CE2 3.8Å; T109-F113 HydrophobicContact CG2-CZ 4.29Å; T109-F113 WeakPolarHBondContact O-CD2 3.42Å; T109-F113 PolarHBondContact O-N 3.28Å; A110-F113 PolarHBondContact O-N 3.13Å; F113-L116 HydrophobicContact CB-CD1 3.78Å; F113-L116 HydrophobicContact CD2-CD1 3.99Å; F113-L116 HydrophobicContact CG-CD1 4.36Å; F113-L116 PolarHBondContact O-N 3.23Å; F113-D120 HydrophobicContact CD2-CB 3.75Å; F113-D120 HydrophobicContact CE2-CB 4.1Å; F113-D120 HydrophobicContact CG-CB 4.18Å
114	H	84.6	Confident	95.8	Very high	146 Å²	146	43.7 Å²	43.7	68%	0.676	22%	0.217	S	C	*	.	S	Bend	trans	-141.9	112.3	178.3	-164.1	60.3	0	0	0	111.3
115	P	90.4	Very high	95.8	Very high	116 Å²	116	46.2 Å²	46.2	75%	0.753	23%	0.226	S	C	*	.	S	Bend	cis	-68.3	145.7	-1.2	30.5	-35.2	0	0	0	112.3
116	L	94.1	Very high	95.8	Very high	31 Å²	31	49.2 Å²	49.2	16%	0.162	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-76.7	124.8	172.8	178	72.4	0	0	0	109.2	A110 F113 D120 W121 Y171	A110-L116 HydrophobicContact CB-CD1 4.13Å; A110-L116 HydrophobicContact CB-CD2 4.04Å; F113-L116 HydrophobicContact CB-CD1 3.78Å; F113-L116 HydrophobicContact CD2-CD1 3.99Å; F113-L116 HydrophobicContact CG-CD1 4.36Å; F113-L116 PolarHBondContact O-N 3.23Å; L116-D120 HydrophobicContact CD1-CB 3.72Å; L116-W121 HydrophobicContact CD2-CB 4.16Å; L116-W121 HydrophobicContact CD2-CE3 3.96Å; L116-W121 HydrophobicContact CG-CB 4.47Å; L116-Y171 WeakPolarHBondContact CB-OH 3.28Å; L116-Y171 HydrophobicContact CD2-CD1 3.92Å; L116-Y171 HydrophobicContact CD2-CE1 3.19Å; L116-Y171 HydrophobicContact CD2-CE2 4.46Å; L116-Y171 HydrophobicContact CG-CE1 4.47Å
117	S	96.4	Very high	95.8	Very high	47 Å²	47	52 Å²	52	33%	0.329	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-87.5	159.5	171.5	79.3	0	0	0	0	111.9	F119 D120 W121	S117-F119 PolarHBondContact O-N 3.16Å; S117-F119 PolarHBondContact OG-N 3.35Å; S117-D120 WeakPolarHBondContact CB-OD2 3.31Å; S117-D120 PolarHBondContact N-OD2 3.4Å; S117-D120 PolarHBondContact O-N 3.41Å; S117-D120 PolarHBondContact OG-N 2.97Å; S117-D120 PolarHBondContact OG-OD2 3.34Å; S117-W121 PolarHBondContact O-N 3.12Å
118	E	97.4	Very high	95.7	Very high	100 Å²	100	52.4 Å²	52.4	47%	0.467	26%	0.261	S	S	.	.	H	α-helix	trans	-63.5	-27.1	171.6	-74.4	-57.5	115.4	0	0	112.7	K122 R174	E118-K122 WeakPolarHBondContact O-CB 3.39Å; E118-K122 VanDerWaalsContact O-CG 3.26Å; E118-K122 WeakPolarHBondContact O-CG 3.48Å; E118-K122 PolarHBondContact O-N 3.47Å; E118-K122 VanDerWaalsContact O-N 3.11Å; E118-R174 VanDerWaalsContact CD-NH2 3.27Å; E118-R174 IonicContact OE1-CZ 2.62Å; E118-R174 VanDerWaalsContact OE1-CZ 3.28Å; E118-R174 IonicContact OE1-NH1 3.4Å; E118-R174 PolarHBondContact OE1-NH1 3.03Å; E118-R174 IonicContact OE1-NH2 3.78Å; E118-R174 PolarHBondContact OE1-NH2 3.29Å; E118-R174 IonicContact OE2-CZ 3.38Å; E118-R174 IonicContact OE2-NH1 2.64Å; E118-R174 IonicContact OE2-NH2 3.06Å; E118-R174 PolarHBondContact OE2-NH2 3.36Å
119	F	97	Very high	95.7	Very high	147 Å²	147	60.7 Å²	60.7	65%	0.645	29%	0.292	S	S	*	.	H	α-helix	trans	-65.5	-50.1	173.2	174.4	-93.2	0	0	0	110.7	S117 W121 K122 W123	S117-F119 PolarHBondContact O-N 3.16Å; S117-F119 PolarHBondContact OG-N 3.35Å; F119-W121 VanDerWaalsContact C-N 3.33Å; F119-W121 PolarHBondContact O-N 3.13Å; F119-K122 PolarHBondContact O-N 3.26Å; F119-W123 WeakPolarHBondContact O-CB 3.16Å; F119-W123 PolarHBondContact O-N 3.42Å
120	D	96.8	Very high	95.6	Very high	27 Å²	27	62.8 Å²	62.8	14%	0.144	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-38.2	-179.1	-58.1	-46.2	0	0	0	111.7	F113 L116 S117 W123 C124	F113-D120 HydrophobicContact CD2-CB 3.75Å; F113-D120 HydrophobicContact CE2-CB 4.1Å; F113-D120 HydrophobicContact CG-CB 4.18Å; L116-D120 HydrophobicContact CD1-CB 3.72Å; S117-D120 WeakPolarHBondContact CB-OD2 3.31Å; S117-D120 PolarHBondContact N-OD2 3.4Å; S117-D120 PolarHBondContact O-N 3.41Å; S117-D120 PolarHBondContact OG-N 2.97Å; S117-D120 PolarHBondContact OG-OD2 3.34Å; D120-W123 PolarHBondContact O-N 2.82Å; D120-C124 PolarHBondContact O-N 3.16Å; D120-C124 PolarHBondContact O-SG 3.34Å
121	W	97.9	Very high	95.6	Very high	2 Å²	2	63 Å²	63	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-59.4	-52.2	174.3	176.5	-109.1	0	0	0	111.7	I106 A110 L116 S117 F119 W123 C124 R125 Y171 R174 L175 E178	I106-W121 HydrophobicContact CG2-CH2 4.1Å; I106-W121 HydrophobicContact CG2-CZ3 3.95Å; A110-W121 HydrophobicContact CB-CE3 3.88Å; A110-W121 HydrophobicContact CB-CZ3 3.89Å; L116-W121 HydrophobicContact CD2-CB 4.16Å; L116-W121 HydrophobicContact CD2-CE3 3.96Å; L116-W121 HydrophobicContact CG-CB 4.47Å; S117-W121 PolarHBondContact O-N 3.12Å; F119-W121 VanDerWaalsContact C-N 3.33Å; F119-W121 PolarHBondContact O-N 3.13Å; W121-W123 VanDerWaalsContact C-N 3.3Å; W121-W123 PolarHBondContact O-N 2.91Å; W121-C124 PolarHBondContact O-N 2.79Å; W121-R125 HydrophobicContact CZ2-CG 4.31Å; W121-R125 PolarHBondContact O-N 2.71Å; W121-R125 VanDerWaalsContact O-N 3.17Å; W121-Y171 HydrophobicContact CE3-CD1 4.29Å; W121-Y171 AromaticContact CZ3-CD1 3.87Å; W121-Y171 HydrophobicContact CZ3-CD1 3.87Å; W121-Y171 HydrophobicContact CZ3-CG 4.16Å; W121-R174 VanDerWaalsContact CG-CZ 3.44Å; W121-R174 HydrophobicContact CH2-CB 4.08Å; W121-R174 HydrophobicContact CH2-CG 4.01Å; W121-R174 HydrophobicContact CZ2-CB 4.11Å; W121-R174 HydrophobicContact CZ2-CG 3.56Å; W121-R174 VanDerWaalsContact NE1-CZ 3.34Å; W121-R174 VanDerWaalsContact NE1-NE 3.15Å; W121-L175 HydrophobicContact CH2-CB 3.97Å; W121-L175 HydrophobicContact CH2-CD1 4.46Å; W121-L175 HydrophobicContact CZ2-CB 4.29Å; W121-L175 HydrophobicContact CZ2-CD1 4.33Å; W121-E178 PolarHBondContact NE1-OE1 2.96Å; W121-E178 PolarHBondContact NE1-OE2 3.31Å
122	K	98	Very high	95.8	Very high	139 Å²	139	65.8 Å²	65.8	60%	0.604	33%	0.33	S	S	*	.	H	α-helix	trans	-62.5	-40.2	179.3	-74.3	177.4	-178.3	-175.8	0	111.5	E118 F119 R125 S126	E118-K122 WeakPolarHBondContact O-CB 3.39Å; E118-K122 VanDerWaalsContact O-CG 3.26Å; E118-K122 WeakPolarHBondContact O-CG 3.48Å; E118-K122 PolarHBondContact O-N 3.47Å; E118-K122 VanDerWaalsContact O-N 3.11Å; F119-K122 PolarHBondContact O-N 3.26Å; K122-R125 PolarHBondContact O-N 2.58Å; K122-S126 WeakPolarHBondContact O-CB 3.48Å; K122-S126 PolarHBondContact O-N 3.18Å; K122-S126 PolarHBondContact O-OG 2.96Å
123	W	98.2	Very high	95.9	Very high	42 Å²	42	68.7 Å²	68.7	16%	0.159	34%	0.344	C	S	.	.	H	α-helix	trans	-59.5	-52	176	-176.2	88	0	0	0	111.1	H69 H72 L73 F119 D120 W121 R125 S126 M127	H69-W123 HydrophobicContact CB-CH2 3.53Å; H69-W123 HydrophobicContact CB-CZ2 3.86Å; H69-W123 HydrophobicContact CB-CZ3 4.09Å; H69-W123 AromaticContact CD2-CD2 3.54Å; H69-W123 AromaticContact CD2-CE2 3.58Å; H69-W123 AromaticContact CD2-CE3 3.46Å; H69-W123 VanDerWaalsContact CD2-CE3 3.46Å; H69-W123 AromaticContact CD2-CH2 3.55Å; H69-W123 AromaticContact CD2-CZ2 3.59Å; H69-W123 AromaticContact CD2-CZ3 3.47Å; H69-W123 VanDerWaalsContact CD2-CZ3 3.47Å; H69-W123 WeakPolarHBondContact CD2-CZ3 3.12Å; H69-W123 AromaticContact CG-CH2 3.89Å; H72-W123 HydrophobicContact CB-CH2 4.01Å; H72-W123 HydrophobicContact CB-CZ3 3.95Å; H72-W123 AromaticContact CD2-CH2 3.91Å; H72-W123 AromaticContact CD2-CZ3 3.76Å; H72-W123 AromaticContact CG-CZ3 3.84Å; L73-W123 HydrophobicContact CD2-CZ2 4.33Å; L73-W123 HydrophobicContact CG-CH2 4.35Å; L73-W123 HydrophobicContact CG-CZ2 4.38Å; F119-W123 WeakPolarHBondContact O-CB 3.16Å; F119-W123 PolarHBondContact O-N 3.42Å; D120-W123 PolarHBondContact O-N 2.82Å; W121-W123 VanDerWaalsContact C-N 3.3Å; W121-W123 PolarHBondContact O-N 2.91Å; W123-R125 PolarHBondContact O-N 2.58Å; W123-S126 WeakPolarHBondContact CA-OG 3.28Å; W123-S126 PolarHBondContact O-N 3.26Å; W123-S126 VanDerWaalsContact O-N 3.1Å; W123-S126 PolarHBondContact O-OG 3.38Å; W123-M127 HydrophobicContact CD2-CG 3.75Å; W123-M127 HydrophobicContact CE3-CG 4.21Å; W123-M127 HydrophobicContact CG-CG 4.26Å; W123-M127 HydrophobicContact CH2-CG 4.02Å; W123-M127 HydrophobicContact CZ2-CE 3.95Å; W123-M127 HydrophobicContact CZ2-CG 3.56Å; W123-M127 HydrophobicContact CZ2-SD 4.21Å; W123-M127 HydrophobicContact CZ3-CG 4.33Å; W123-M127 VanDerWaalsContact O-CG 3.28Å; W123-M127 WeakPolarHBondContact O-CG 3.33Å; W123-M127 PolarHBondContact O-N 3.45Å; W123-M127 VanDerWaalsContact O-N 3.07Å
124	C	98.1	Very high	96.1	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-53.7	-42.9	178.7	-68.7	0	0	0	0	111.8	H72 I106 D120 W121	H72-C124 PolarHBondContact NE2-O 3.22Å; I106-C124 WeakPolarHBondContact CG1-O 3.41Å; I106-C124 HydrophobicContact CG2-CB 4.16Å; D120-C124 PolarHBondContact O-N 3.16Å; D120-C124 PolarHBondContact O-SG 3.34Å; W121-C124 PolarHBondContact O-N 2.79Å
125	R	97.5	Very high	96.6	Very high	59 Å²	59	62 Å²	62	22%	0.223	31%	0.314	C	S	.	.	H	α-helix	trans	-68.8	-46	177.3	-67.7	-172.1	66.7	-153	-9.1	112.4	I106 W121 K122 W123 M127 E128 L175 E178 E182	I106-R125 HydrophobicContact CD1-CG 4.42Å; I106-R125 HydrophobicContact CG2-CG 4.01Å; W121-R125 HydrophobicContact CZ2-CG 4.31Å; W121-R125 PolarHBondContact O-N 2.71Å; W121-R125 VanDerWaalsContact O-N 3.17Å; K122-R125 PolarHBondContact O-N 2.58Å; W123-R125 PolarHBondContact O-N 2.58Å; R125-M127 VanDerWaalsContact C-N 3.3Å; R125-M127 PolarHBondContact O-N 3.27Å; R125-E128 PolarHBondContact O-N 2.84Å; R125-L175 HydrophobicContact CG-CD1 4.15Å; R125-E178 IonicContact CZ-OE2 3.2Å; R125-E178 IonicContact NE-OE2 3.44Å; R125-E178 IonicContact NH1-OE2 3.96Å; R125-E178 PolarHBondContact NH1-OE2 3.37Å; R125-E182 IonicContact CZ-OE1 2.79Å; R125-E182 VanDerWaalsContact CZ-OE1 3.25Å; R125-E182 IonicContact CZ-OE2 3.28Å; R125-E182 IonicContact NH1-OE1 2.97Å; R125-E182 PolarHBondContact NH1-OE1 3.08Å; R125-E182 IonicContact NH2-OE1 3.49Å; R125-E182 PolarHBondContact NH2-OE1 2.88Å; R125-E182 IonicContact NH2-OE2 3.81Å; R125-E182 PolarHBondContact NH2-OE2 3.31Å
126	S	97.4	Very high	96.9	Very high	68 Å²	68	56.4 Å²	56.4	48%	0.476	28%	0.278	S	S	.	.	H	α-helix	trans	-67.3	-30.2	-173.5	63.8	0	0	0	0	113.2	K122 W123 E128 Y129	K122-S126 WeakPolarHBondContact O-CB 3.48Å; K122-S126 PolarHBondContact O-N 3.18Å; K122-S126 PolarHBondContact O-OG 2.96Å; W123-S126 WeakPolarHBondContact CA-OG 3.28Å; W123-S126 PolarHBondContact O-N 3.26Å; W123-S126 VanDerWaalsContact O-N 3.1Å; W123-S126 PolarHBondContact O-OG 3.38Å; S126-E128 VanDerWaalsContact C-N 3.26Å; S126-E128 PolarHBondContact O-N 2.89Å; S126-Y129 VanDerWaalsContact O-CB 3.28Å; S126-Y129 WeakPolarHBondContact O-CB 3.1Å; S126-Y129 PolarHBondContact O-N 3.27Å
127	M	97.7	Very high	97.1	Very high	66 Å²	66	55 Å²	55	33%	0.325	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-21.1	-178.6	-61	-47.4	-87.6	0	0	113.3	L73 I76 W123 R125 Y129	L73-M127 HydrophobicContact CD2-CE 3.49Å; L73-M127 VanDerWaalsContact CD2-CE 3.49Å; I76-M127 HydrophobicContact CD1-CB 3.43Å; I76-M127 VanDerWaalsContact CD1-CB 3.43Å; I76-M127 WeakPolarHBondContact CD1-O 3.43Å; W123-M127 HydrophobicContact CD2-CG 3.75Å; W123-M127 HydrophobicContact CE3-CG 4.21Å; W123-M127 HydrophobicContact CG-CG 4.26Å; W123-M127 HydrophobicContact CH2-CG 4.02Å; W123-M127 HydrophobicContact CZ2-CE 3.95Å; W123-M127 HydrophobicContact CZ2-CG 3.56Å; W123-M127 HydrophobicContact CZ2-SD 4.21Å; W123-M127 HydrophobicContact CZ3-CG 4.33Å; W123-M127 VanDerWaalsContact O-CG 3.28Å; W123-M127 WeakPolarHBondContact O-CG 3.33Å; W123-M127 PolarHBondContact O-N 3.45Å; W123-M127 VanDerWaalsContact O-N 3.07Å; R125-M127 VanDerWaalsContact C-N 3.3Å; R125-M127 PolarHBondContact O-N 3.27Å; M127-Y129 VanDerWaalsContact C-N 3.26Å; M127-Y129 PolarHBondContact O-N 2.92Å
128	E	97.4	Very high	97.2	Very high	9 Å²	9	52.7 Å²	52.7	4%	0.042	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-4.3	176.4	-58.1	-73.8	172.3	0	0	113	H72 R79 S102 I106 R125 S126 L131	H72-E128 IonicContact CE1-OE1 2.66Å; H72-E128 PolarHBondContact CE1-OE1 3.26Å; H72-E128 IonicContact NE2-OE1 3.56Å; H72-E128 PolarHBondContact NE2-OE1 3Å; R79-E128 IonicContact CZ-OE1 3.97Å; R79-E128 IonicContact CZ-OE2 2.85Å; R79-E128 IonicContact NE-OE2 3.22Å; R79-E128 PolarHBondContact NE-OE2 3.43Å; R79-E128 IonicContact NH2-OE1 2.73Å; R79-E128 PolarHBondContact NH2-OE1 2.81Å; R79-E128 IonicContact NH2-OE2 3.43Å; R79-E128 PolarHBondContact NH2-OE2 3.37Å; S102-E128 WeakPolarHBondContact CA-OE2 3.34Å; S102-E128 VanDerWaalsContact CB-OE2 3.24Å; S102-E128 WeakPolarHBondContact CB-OE2 3.48Å; S102-E128 PolarHBondContact OG-OE2 2.64Å; I106-E128 HydrophobicContact CD1-CB 4.44Å; I106-E128 HydrophobicContact CD1-CG 3.8Å; I106-E128 HydrophobicContact CG1-CG 3.68Å; R125-E128 PolarHBondContact O-N 2.84Å; S126-E128 VanDerWaalsContact C-N 3.26Å; S126-E128 PolarHBondContact O-N 2.89Å; E128-L131 HydrophobicContact CB-CD1 4.47Å; E128-L131 PolarHBondContact O-N 3.38Å; E128-L131 WeakPolarHBondContact OE2-CD1 3.36Å
129	Y	95	Very high	97.2	Very high	207 Å²	207	48 Å²	48	81%	0.812	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	139.7	-178.7	-178	-94.9	0	0	0	112	S126 M127	S126-Y129 VanDerWaalsContact O-CB 3.28Å; S126-Y129 WeakPolarHBondContact O-CB 3.1Å; S126-Y129 PolarHBondContact O-N 3.27Å; M127-Y129 VanDerWaalsContact C-N 3.26Å; M127-Y129 PolarHBondContact O-N 2.92Å
130	G	95.8	Very high	97.1	Very high	46 Å²	46	41 Å²	41	47%	0.474	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	93	-16.2	179.6	0	0	0	0	0	114.8	W80	W80-G130 WeakPolarHBondContact CH2-O 3.32Å
131	L	98.2	Very high	96.9	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	20%	0.2	C	C	.	.	S	Bend	trans	-67.4	143.1	169	-68.2	171.2	0	0	0	110.5	R79 W80 Q83 S102 E128 Q133	R79-L131 HydrophobicContact CB-CD1 4.22Å; R79-L131 HydrophobicContact CB-CD2 4.1Å; W80-L131 HydrophobicContact CD2-CD2 3.87Å; W80-L131 HydrophobicContact CG-CD2 4.01Å; W80-L131 HydrophobicContact CZ2-CD2 4.07Å; W80-L131 HydrophobicContact CZ2-CG 4.33Å; Q83-L131 HydrophobicContact CG-CD2 3.57Å; S102-L131 WeakPolarHBondContact OG-CD1 3.41Å; E128-L131 HydrophobicContact CB-CD1 4.47Å; E128-L131 PolarHBondContact O-N 3.38Å; E128-L131 WeakPolarHBondContact OE2-CD1 3.36Å; L131-Q133 PolarHBondContact O-N 3.3Å; L131-Q133 PolarHBondContact O-NE2 2.97Å; L131-Q133 VanDerWaalsContact O-NE2 3.13Å
132	L	98	Very high	96.2	Very high	58 Å²	58	40.6 Å²	40.6	30%	0.304	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-55.9	136.8	177.9	-73.3	171.7	0	0	0	110.8	F10 I86 L90 Y101	F10-L132 HydrophobicContact CD1-CB 4.36Å; F10-L132 HydrophobicContact CE1-CB 3.89Å; F10-L132 WeakPolarHBondContact CE1-O 3.39Å; I86-L132 HydrophobicContact CB-CD1 4.24Å; I86-L132 HydrophobicContact CG2-CD1 3.76Å; L90-L132 HydrophobicContact CD1-CD1 4.49Å; Y101-L132 VanDerWaalsContact CE1-O 3.31Å; Y101-L132 WeakPolarHBondContact CE1-O 3.45Å; Y101-L132 PolarHBondContact OH-O 3.42Å
133	Q	96.2	Very high	95.2	Very high	102 Å²	102	41.5 Å²	41.5	48%	0.477	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-88.9	139.4	176.2	-62.7	-56.3	-57.1	0	0	110.8	F10 Y103 L131	F10-Q133 WeakPolarHBondContact CD1-O 3.4Å; Y103-Q133 PolarHBondContact OH-OE1 2.95Å; L131-Q133 PolarHBondContact O-N 3.3Å; L131-Q133 PolarHBondContact O-NE2 2.97Å; L131-Q133 VanDerWaalsContact O-NE2 3.13Å
134	P	96.8	Very high	94	Very high	10 Å²	10	43.6 Å²	43.6	7%	0.065	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-78.3	163.6	175.9	35.4	-35.3	0	0	0	111.9	F10 V12 Y103 I137 L196	F10-P134 HydrophobicContact CD1-CB 4.11Å; F10-P134 HydrophobicContact CD2-CB 4.34Å; F10-P134 HydrophobicContact CE1-CB 4.37Å; F10-P134 HydrophobicContact CG-CB 4.08Å; F10-P134 CarbonylContact O-C 3.5Å; F10-P134 WeakPolarHBondContact O-CA 3.27Å; F10-P134 WeakPolarHBondContact O-CB 3.39Å; V12-P134 HydrophobicContact CB-CB 4.35Å; V12-P134 HydrophobicContact CB-CG 4.4Å; V12-P134 HydrophobicContact CG2-CB 3.68Å; V12-P134 HydrophobicContact CG2-CG 3.92Å; Y103-P134 HydrophobicContact CE2-CG 3.98Å; Y103-P134 WeakPolarHBondContact OH-CD 3.36Å; Y103-P134 VanDerWaalsContact OH-CG 3.27Å; Y103-P134 WeakPolarHBondContact OH-CG 3.3Å; P134-I137 HydrophobicContact CG-CD1 4.18Å; P134-I137 HydrophobicContact CG-CG1 3.66Å; P134-L196 HydrophobicContact CG-CD1 4.36Å; P134-L196 WeakPolarHBondContact O-CD1 3.25Å
135	D	95.4	Very high	92.8	Very high	20 Å²	20	44.6 Å²	44.6	11%	0.107	23%	0.228	C	C	.	.	S	Bend	trans	-78.1	-29.4	170.4	-66.7	-67.9	0	0	0	112.8	R7 F10 K221	R7-D135 IonicContact CZ-OD1 2.73Å; R7-D135 IonicContact CZ-OD2 3.25Å; R7-D135 IonicContact NH1-OD1 2.7Å; R7-D135 IonicContact NH1-OD2 3.82Å; R7-D135 PolarHBondContact NH1-OD2 2.85Å; R7-D135 VanDerWaalsContact NH2-CG 3.3Å; R7-D135 IonicContact NH2-OD1 2.77Å; R7-D135 PolarHBondContact NH2-OD1 3.09Å; R7-D135 IonicContact NH2-OD2 2.82Å; R7-D135 PolarHBondContact NH2-OD2 3.26Å; F10-D135 PolarHBondContact N-OD2 3.01Å; F10-D135 WeakPolarHBondContact O-CB 3.47Å; F10-D135 PolarHBondContact O-N 3.03Å; D135-K221 PolarHBondContact O-NZ 3.07Å; D135-K221 IonicContact OD1-NZ 3.54Å
136	F	96.8	Very high	91.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	141.3	-177.4	-60.6	-75.5	0	0	0	111.2	V11 V12 F138 P194 H198 I217 I218 K221	V11-F136 HydrophobicContact CG1-CB 4.3Å; V11-F136 HydrophobicContact CG2-CD2 4.19Å; V12-F136 PolarHBondContact N-O 2.69Å; F136-F138 HydrophobicContact CB-CD2 4.38Å; F136-F138 HydrophobicContact CB-CE2 3.74Å; F136-F138 HydrophobicContact CB-CZ 4.18Å; F136-F138 HydrophobicContact CG-CE2 4.35Å; F136-F138 HydrophobicContact CG-CZ 4.45Å; F136-P194 HydrophobicContact CE1-CB 4.19Å; F136-H198 AromaticContact CD1-CD2 3.88Å; F136-H198 AromaticContact CD1-NE2 3.5Å; F136-H198 AromaticContact CE1-NE2 3.92Å; F136-I217 HydrophobicContact CD1-CG2 4.21Å; F136-I217 HydrophobicContact CE1-CG2 4.03Å; F136-I218 HydrophobicContact CD2-CG1 4.23Å; F136-I218 HydrophobicContact CE2-CG1 4.24Å; F136-K221 HydrophobicContact CE1-CD 4.35Å; F136-K221 HydrophobicContact CE2-CB 3.98Å; F136-K221 HydrophobicContact CE2-CD 3.66Å; F136-K221 HydrophobicContact CE2-CG 4.07Å; F136-K221 HydrophobicContact CZ-CB 3.89Å; F136-K221 HydrophobicContact CZ-CD 3.47Å; F136-K221 VanDerWaalsContact CZ-CD 3.47Å; F136-K221 HydrophobicContact CZ-CG 3.62Å
137	I	97.9	Very high	89.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	109.8	171.4	-53	170	0	0	0	108.3	V12 E14 Y103 P134 L196 W197 H198	V12-I137 CarbonylContact O-C 3.53Å; V12-I137 WeakPolarHBondContact O-CA 3.38Å; E14-I137 HydrophobicContact CB-CG2 4.2Å; E14-I137 HydrophobicContact CG-CG2 3.77Å; Y103-I137 HydrophobicContact CD1-CD1 4.19Å; Y103-I137 HydrophobicContact CD2-CD1 3.82Å; Y103-I137 HydrophobicContact CD2-CG1 4.25Å; Y103-I137 HydrophobicContact CD2-CG2 4.17Å; Y103-I137 HydrophobicContact CE1-CD1 3.73Å; Y103-I137 HydrophobicContact CE2-CD1 3.3Å; Y103-I137 HydrophobicContact CE2-CG1 3.69Å; Y103-I137 HydrophobicContact CE2-CG2 4.45Å; Y103-I137 HydrophobicContact CG-CD1 4.23Å; P134-I137 HydrophobicContact CG-CD1 4.18Å; P134-I137 HydrophobicContact CG-CG1 3.66Å; I137-L196 HydrophobicContact CD1-CD1 4.06Å; I137-L196 HydrophobicContact CD1-CD2 3.79Å; I137-L196 HydrophobicContact CD1-CG 3.64Å; I137-L196 HydrophobicContact CG1-CD1 4.04Å; I137-L196 HydrophobicContact CG1-CG 4.04Å; I137-L196 PolarHBondContact N-O 2.92Å; I137-W197 HydrophobicContact CB-CD2 4.23Å; I137-W197 HydrophobicContact CB-CE3 4.4Å; I137-W197 HydrophobicContact CD1-CD2 4.13Å; I137-W197 HydrophobicContact CD1-CG 4.44Å; I137-W197 HydrophobicContact CD1-CZ2 3.85Å; I137-W197 HydrophobicContact CG2-CD2 4.08Å; I137-W197 HydrophobicContact CG2-CE3 3.83Å; I137-W197 HydrophobicContact CG2-CH2 4.09Å; I137-W197 HydrophobicContact CG2-CZ2 4.32Å; I137-W197 HydrophobicContact CG2-CZ3 3.84Å; I137-H198 PolarHBondContact O-N 2.82Å
138	F	98	Very high	88.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	107.3	172.6	-66.1	-75.1	0	0	0	109.7	V11 V12 F13 E14 F136 L140 H198 I200 I214 I217 I218	V11-F138 HydrophobicContact CG1-CD2 3.55Å; V11-F138 HydrophobicContact CG1-CE2 3.58Å; V12-F138 PolarHBondContact O-N 3.02Å; F13-F138 WeakPolarHBondContact CA-O 3.29Å; F13-F138 HydrophobicContact CD1-CB 3.82Å; F13-F138 HydrophobicContact CE1-CB 3.82Å; F13-F138 HydrophobicContact CE1-CD2 4.31Å; F13-F138 HydrophobicContact CE1-CG 4.27Å; F13-F138 HydrophobicContact CZ-CD2 4.28Å; E14-F138 PolarHBondContact N-O 2.96Å; F136-F138 HydrophobicContact CB-CD2 4.38Å; F136-F138 HydrophobicContact CB-CE2 3.74Å; F136-F138 HydrophobicContact CB-CZ 4.18Å; F136-F138 HydrophobicContact CG-CE2 4.35Å; F136-F138 HydrophobicContact CG-CZ 4.45Å; F138-L140 HydrophobicContact CB-CD1 4.16Å; F138-H198 CarbonylContact C-O 3.58Å; F138-H198 WeakPolarHBondContact CA-O 3.41Å; F138-H198 HydrophobicContact CD1-CB 3.58Å; F138-H198 HydrophobicContact CE1-CB 3.7Å; F138-H198 AromaticContact CE1-CG 3.93Å; F138-I200 HydrophobicContact CB-CG1 4.49Å; F138-I200 HydrophobicContact CD1-CD1 4.16Å; F138-I200 HydrophobicContact CD1-CG1 3.91Å; F138-I214 HydrophobicContact CD1-CG1 4.02Å; F138-I214 HydrophobicContact CD2-CG2 4.23Å; F138-I214 HydrophobicContact CE1-CB 4.45Å; F138-I214 HydrophobicContact CE1-CG1 4.23Å; F138-I214 HydrophobicContact CE1-CG2 4.23Å; F138-I214 HydrophobicContact CE2-CG2 3.91Å; F138-I214 HydrophobicContact CG-CG1 4.33Å; F138-I214 HydrophobicContact CZ-CG2 3.92Å; F138-I217 HydrophobicContact CE1-CB 4.1Å; F138-I217 HydrophobicContact CE1-CD1 3.78Å; F138-I217 HydrophobicContact CE1-CG2 3.91Å; F138-I217 HydrophobicContact CZ-CB 4.15Å; F138-I217 HydrophobicContact CZ-CG2 3.83Å; F138-I218 HydrophobicContact CE2-CD1 3.79Å; F138-I218 HydrophobicContact CE2-CG1 3.93Å; F138-I218 HydrophobicContact CZ-CD1 4.07Å; F138-I218 HydrophobicContact CZ-CG1 3.8Å
139	C	97.5	Very high	86.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	107.4	177	-168.2	0	0	0	0	110	E14 W197 H198 W199 I200	E14-C139 HydrophobicContact CB-CB 4.41Å; E14-C139 CarbonylContact O-C 3.54Å; E14-C139 WeakPolarHBondContact O-CA 3.47Å; C139-W197 HydrophobicContact CB-CE3 4.02Å; C139-W197 HydrophobicContact CB-CZ3 3.99Å; C139-H198 PolarHBondContact N-O 3.17Å; C139-W199 HydrophobicContact CB-CD2 4.16Å; C139-W199 HydrophobicContact CB-CE3 3.89Å; C139-W199 HydrophobicContact CB-CH2 4.49Å; C139-W199 HydrophobicContact CB-CZ3 4.07Å; C139-W199 WeakPolarHBondContact SG-CZ3 3.2Å; C139-I200 PolarHBondContact O-N 3.33Å
140	L	95.6	Very high	84.3	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	118.7	178.1	-74.7	67.8	0	0	0	109.7	F13 E14 G15 C19 K21 Q24 F138 I200 A202	F13-L140 HydrophobicContact CD1-CD1 3.71Å; F13-L140 HydrophobicContact CE1-CD1 4.17Å; E14-L140 PolarHBondContact O-N 3.4Å; G15-L140 VanDerWaalsContact CA-O 3.25Å; G15-L140 WeakPolarHBondContact CA-O 3.44Å; C19-L140 HydrophobicContact CB-CB 3.82Å; C19-L140 VanDerWaalsContact O-CD2 3.24Å; C19-L140 WeakPolarHBondContact O-CD2 3.5Å; K21-L140 HydrophobicContact CG-CB 4.4Å; Q24-L140 HydrophobicContact CB-CD2 4.47Å; Q24-L140 HydrophobicContact CG-CD2 4Å; F138-L140 HydrophobicContact CB-CD1 4.16Å; L140-I200 WeakPolarHBondContact CA-O 3.44Å; L140-I200 HydrophobicContact CD1-CB 4.35Å; L140-I200 HydrophobicContact CG-CB 4.23Å; L140-A202 HydrophobicContact CB-CB 4.44Å
141	A	90.9	Very high	82.5	Confident	12 Å²	12	43 Å²	43	10%	0.099	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	144.3	-178.8	0	0	0	0	0	110.7	L169 W199 I200 A202	A141-L169 HydrophobicContact CB-CD1 3.58Å; A141-W199 HydrophobicContact CB-CE3 4.25Å; A141-W199 HydrophobicContact CB-CZ3 4.17Å; A141-I200 PolarHBondContact N-O 2.76Å; A141-A202 PolarHBondContact O-N 3.12Å
142	P	85.1	Confident	80.5	Confident	8 Å²	8	49 Å²	49	5%	0.052	25%	0.254	C	S	.	.			trans	-72	146.9	171.3	34.6	-36.4	0	0	0	109.9	V16 N144 F145 I148 T203	V16-P142 HydrophobicContact CG2-CG 4.32Å; P142-N144 VanDerWaalsContact C-N 3.27Å; P142-F145 HydrophobicContact CG-CD1 4.24Å; P142-F145 HydrophobicContact CG-CD2 4.48Å; P142-F145 HydrophobicContact CG-CE1 4.33Å; P142-F145 HydrophobicContact CG-CG 4.31Å; P142-I148 HydrophobicContact CB-CD1 4.28Å; P142-I148 HydrophobicContact CB-CG1 4.21Å; P142-I148 HydrophobicContact CB-CG2 3.82Å; P142-I148 HydrophobicContact CG-CD1 3.73Å; P142-I148 HydrophobicContact CG-CG1 4.11Å; P142-I148 HydrophobicContact CG-CG2 4.43Å; P142-T203 HydrophobicContact CB-CG2 4.47Å
143	E	76.9	Confident	78.5	Confident	157 Å²	157	49.9 Å²	49.9	73%	0.734	27%	0.269	S	S	*	.	S	Bend	trans	-66.1	-38.3	166.8	-65.7	-171.9	172.9	0	0	110.4
144	N	72.7	Confident	76.6	Confident	86 Å²	86	46.6 Å²	46.6	46%	0.46	25%	0.253	S	S	.	.	S	Bend	trans	-132.8	125.1	174.4	-174.7	-13.6	0	0	0	111.1	P142 A146 E147	P142-N144 VanDerWaalsContact C-N 3.27Å; N144-A146 PolarHBondContact O-N 3.41Å; N144-A146 VanDerWaalsContact O-N 3.07Å; N144-A146 WeakPolarHBondContact OD1-CB 3.43Å; N144-A146 PolarHBondContact OD1-N 2.97Å; N144-E147 HydrophobicContact CB-CG 4.17Å; N144-E147 WeakPolarHBondContact O-CB 3.44Å; N144-E147 PolarHBondContact O-N 3.44Å
145	F	71.9	Confident	74.8	Confident	22 Å²	22	47.9 Å²	47.9	10%	0.096	26%	0.263	C	S	.	.	H	α-helix	trans	-56.6	-25.5	177.8	-84.3	-85.6	0	0	0	114.1	V16 P142 E147 I148 S149 F154 M162 Q165 K166 L169	V16-F145 HydrophobicContact CB-CE1 4.47Å; V16-F145 HydrophobicContact CG1-CE1 4.31Å; V16-F145 HydrophobicContact CG1-CZ 4.24Å; V16-F145 HydrophobicContact CG2-CE1 4.14Å; P142-F145 HydrophobicContact CG-CD1 4.24Å; P142-F145 HydrophobicContact CG-CD2 4.48Å; P142-F145 HydrophobicContact CG-CE1 4.33Å; P142-F145 HydrophobicContact CG-CG 4.31Å; F145-E147 PolarHBondContact O-N 2.92Å; F145-I148 HydrophobicContact CD1-CD1 3.95Å; F145-I148 HydrophobicContact CE1-CD1 4.33Å; F145-I148 VanDerWaalsContact O-CG1 3.27Å; F145-I148 WeakPolarHBondContact O-CG1 3.15Å; F145-I148 PolarHBondContact O-N 3.46Å; F145-S149 PolarHBondContact O-N 3.03Å; F145-F154 HydrophobicContact CD1-CE2 4.3Å; F145-F154 HydrophobicContact CD1-CZ 4.13Å; F145-M162 HydrophobicContact CB-CG 4.32Å; F145-M162 HydrophobicContact CB-SD 4.38Å; F145-Q165 HydrophobicContact CD1-CB 4.47Å; F145-Q165 HydrophobicContact CE1-CB 3.68Å; F145-Q165 HydrophobicContact CZ-CB 4.38Å; F145-K166 HydrophobicContact CD2-CG 3.74Å; F145-K166 HydrophobicContact CE1-CG 4.47Å; F145-K166 HydrophobicContact CE2-CB 4.35Å; F145-K166 HydrophobicContact CE2-CG 3.6Å; F145-K166 HydrophobicContact CG-CG 4.23Å; F145-K166 HydrophobicContact CZ-CB 4.49Å; F145-K166 HydrophobicContact CZ-CG 4Å; F145-L169 HydrophobicContact CE2-CB 4.47Å; F145-L169 HydrophobicContact CE2-CD2 3.65Å; F145-L169 HydrophobicContact CZ-CB 4.11Å; F145-L169 HydrophobicContact CZ-CD2 3.89Å
146	A	67.9	Low	73	Confident	51 Å²	51	55 Å²	55	42%	0.421	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-25.5	175.9	0	0	0	0	0	112.9	N144 S149	N144-A146 PolarHBondContact O-N 3.41Å; N144-A146 VanDerWaalsContact O-N 3.07Å; N144-A146 WeakPolarHBondContact OD1-CB 3.43Å; N144-A146 PolarHBondContact OD1-N 2.97Å; A146-S149 PolarHBondContact O-OG 3.37Å
147	E	63.7	Low	71.6	Confident	79 Å²	79	60 Å²	60	37%	0.369	32%	0.323	S	S	.	.	H	α-helix	trans	-76.9	-31.8	-177.2	-64.9	173.1	-175.9	0	0	112.4	N144 F145 T203	N144-E147 HydrophobicContact CB-CG 4.17Å; N144-E147 WeakPolarHBondContact O-CB 3.44Å; N144-E147 PolarHBondContact O-N 3.44Å; F145-E147 PolarHBondContact O-N 2.92Å; E147-T203 HydrophobicContact CB-CG2 3.8Å; E147-T203 WeakPolarHBondContact OE2-CB 3.41Å; E147-T203 PolarHBondContact OE2-OG1 3.32Å
148	I	62.4	Low	70.1	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-85	-20.6	178.1	55.1	165.9	0	0	0	113.1	V16 P142 F145 V150 R151 F154 T203	V16-I148 HydrophobicContact CG2-CD1 4.15Å; P142-I148 HydrophobicContact CB-CD1 4.28Å; P142-I148 HydrophobicContact CB-CG1 4.21Å; P142-I148 HydrophobicContact CB-CG2 3.82Å; P142-I148 HydrophobicContact CG-CD1 3.73Å; P142-I148 HydrophobicContact CG-CG1 4.11Å; P142-I148 HydrophobicContact CG-CG2 4.43Å; F145-I148 HydrophobicContact CD1-CD1 3.95Å; F145-I148 HydrophobicContact CE1-CD1 4.33Å; F145-I148 VanDerWaalsContact O-CG1 3.27Å; F145-I148 WeakPolarHBondContact O-CG1 3.15Å; F145-I148 PolarHBondContact O-N 3.46Å; I148-V150 PolarHBondContact O-N 3.45Å; I148-R151 PolarHBondContact O-N 2.94Å; I148-R151 VanDerWaalsContact O-N 3.16Å; I148-F154 HydrophobicContact CD1-CE1 4.45Å; I148-F154 HydrophobicContact CD1-CE2 4.22Å; I148-F154 HydrophobicContact CD1-CZ 3.56Å; I148-F154 HydrophobicContact CG1-CE2 4.33Å; I148-F154 HydrophobicContact CG1-CZ 4.14Å; I148-T203 HydrophobicContact CG2-CG2 3.68Å
149	S	59.4	Low	68.7	Low	43 Å²	43	68.1 Å²	68.1	30%	0.301	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19	171.9	49.5	0	0	0	0	113.4	F145 A146 E152 A153	F145-S149 PolarHBondContact O-N 3.03Å; A146-S149 PolarHBondContact O-OG 3.37Å; S149-E152 CarbonylContact O-C 3.56Å; S149-A153 PolarHBondContact O-N 3.19Å
150	V	54.5	Low	67.6	Low	123 Å²	123	70.2 Å²	70.2	75%	0.745	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-32.9	176	-176.3	0	0	0	0	111.9	I148 E152	I148-V150 PolarHBondContact O-N 3.45Å; V150-E152 VanDerWaalsContact C-N 3.29Å; V150-E152 PolarHBondContact O-N 3.4Å
151	R	57.4	Low	66.9	Low	123 Å²	123	72.8 Å²	72.8	46%	0.464	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-37.4	-177.7	-70.1	-175.1	173.7	167.8	0.1	111.7	I148 A202	I148-R151 PolarHBondContact O-N 2.94Å; I148-R151 VanDerWaalsContact O-N 3.16Å; R151-A202 PolarHBondContact NH1-O 2.98Å; R151-A202 PolarHBondContact NH2-O 3.48Å
152	E	55	Low	66.6	Low	132 Å²	132	75.4 Å²	75.4	62%	0.617	40%	0.395	S	S	*	.	S	Bend	trans	-170.6	130.8	167.4	-95.5	170.8	-174.1	0	0	105.6	K18 S149 V150 F154	K18-E152 HydrophobicContact CD-CB 3.96Å; K18-E152 WeakPolarHBondContact CD-O 3.31Å; K18-E152 WeakPolarHBondContact CE-OE2 3.38Å; K18-E152 VanDerWaalsContact NZ-CB 3.32Å; K18-E152 PolarHBondContact NZ-O 2.95Å; K18-E152 IonicContact NZ-OE2 3.63Å; S149-E152 CarbonylContact O-C 3.56Å; V150-E152 VanDerWaalsContact C-N 3.29Å; V150-E152 PolarHBondContact O-N 3.4Å; E152-F154 PolarHBondContact O-N 3.5Å
153	A	57	Low	66.6	Low	77 Å²	77	79.9 Å²	79.9	64%	0.636	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-55.5	135.6	178.5	0	0	0	0	0	110.8	K18 S149 S155	K18-A153 VanDerWaalsContact NZ-C 3.31Å; K18-A153 PolarHBondContact NZ-O 3.24Å; S149-A153 PolarHBondContact O-N 3.19Å; A153-S155 PolarHBondContact O-N 2.97Å
154	F	55.6	Low	67.2	Low	32 Å²	32	72.8 Å²	72.8	14%	0.14	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-48.6	130.5	168.5	-77.2	-62	0	0	0	109.1	E17 F145 I148 E152 E160 M162 Q165	E17-F154 HydrophobicContact CB-CE1 4.44Å; F145-F154 HydrophobicContact CD1-CE2 4.3Å; F145-F154 HydrophobicContact CD1-CZ 4.13Å; I148-F154 HydrophobicContact CD1-CE1 4.45Å; I148-F154 HydrophobicContact CD1-CE2 4.22Å; I148-F154 HydrophobicContact CD1-CZ 3.56Å; I148-F154 HydrophobicContact CG1-CE2 4.33Å; I148-F154 HydrophobicContact CG1-CZ 4.14Å; E152-F154 PolarHBondContact O-N 3.5Å; F154-E160 WeakPolarHBondContact CB-O 3.42Å; F154-E160 WeakPolarHBondContact CD1-O 3.42Å; F154-E160 WeakPolarHBondContact CG-O 3.35Å; F154-M162 HydrophobicContact CD2-CB 4.15Å; F154-M162 HydrophobicContact CD2-CE 4.49Å; F154-M162 HydrophobicContact CE2-CB 4.33Å; F154-M162 HydrophobicContact CE2-CG 4.39Å; F154-Q165 HydrophobicContact CD1-CG 4.31Å; F154-Q165 HydrophobicContact CE1-CB 4.35Å; F154-Q165 HydrophobicContact CE1-CG 3.68Å; F154-Q165 HydrophobicContact CZ-CB 4.31Å; F154-Q165 HydrophobicContact CZ-CG 4.13Å
155	S	58.4	Low	68	Low	37 Å²	37	68.8 Å²	68.8	26%	0.259	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-77.3	162.6	-179.5	73.4	0	0	0	0	110.4	A153 K157 E160	A153-S155 PolarHBondContact O-N 2.97Å; S155-K157 PolarHBondContact O-N 3.47Å; S155-K157 VanDerWaalsContact OG-CB 3.24Å; S155-K157 WeakPolarHBondContact OG-CB 3.42Å; S155-K157 VanDerWaalsContact OG-CG 3.23Å; S155-K157 WeakPolarHBondContact OG-CG 3.33Å; S155-K157 PolarHBondContact OG-N 2.98Å; S155-E160 WeakPolarHBondContact CB-OE2 3.33Å; S155-E160 VanDerWaalsContact OG-CD 3.25Å; S155-E160 PolarHBondContact OG-OE2 3.5Å
156	D	59.1	Low	68.9	Low	170 Å²	170	71.8 Å²	71.8	91%	0.909	38%	0.377	S	S	*	.	S	Bend	trans	-69.7	5.9	171.1	-66	-38.9	0	0	0	112.9	K158	D156-K158 PolarHBondContact O-N 3.42Å
157	K	66	Low	70.1	Confident	105 Å²	105	72.7 Å²	72.7	46%	0.457	37%	0.369	S	S	.	.	S	Bend	trans	-61.7	136.9	173	-68.6	178.4	-177.8	-178.5	0	109.4	S155 F159 E160	S155-K157 PolarHBondContact O-N 3.47Å; S155-K157 VanDerWaalsContact OG-CB 3.24Å; S155-K157 WeakPolarHBondContact OG-CB 3.42Å; S155-K157 VanDerWaalsContact OG-CG 3.23Å; S155-K157 WeakPolarHBondContact OG-CG 3.33Å; S155-K157 PolarHBondContact OG-N 2.98Å; K157-F159 PolarHBondContact O-N 3.4Å; K157-E160 HydrophobicContact CB-CB 4.28Å; K157-E160 HydrophobicContact CB-CG 4.22Å; K157-E160 VanDerWaalsContact CD-OE1 3.32Å; K157-E160 WeakPolarHBondContact CD-OE1 3.11Å; K157-E160 IonicContact NZ-OE1 3.67Å; K157-E160 PolarHBondContact O-N 3.48Å
158	K	66.2	Low	71.5	Confident	138 Å²	138	69 Å²	69	60%	0.6	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46	-33.6	-174.4	-172.8	176.4	178.7	178.7	0	114.8	D156	D156-K158 PolarHBondContact O-N 3.42Å
159	F	68.9	Low	73	Confident	32 Å²	32	70.9 Å²	70.9	14%	0.14	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	2.7	-175.8	-51.6	-53.7	0	0	0	114.2	Y59 K112 K157 F164 Q165	Y59-F159 HydrophobicContact CE1-CE2 4.14Å; Y59-F159 HydrophobicContact CE1-CZ 4.21Å; K112-F159 HydrophobicContact CD-CE1 4.13Å; K112-F159 VanDerWaalsContact CE-CE1 3.45Å; K112-F159 HydrophobicContact CG-CE1 4.15Å; K157-F159 PolarHBondContact O-N 3.4Å; F159-F164 HydrophobicContact CB-CD1 4.12Å; F159-F164 HydrophobicContact CB-CE1 3.84Å; F159-F164 HydrophobicContact CB-CZ 4.48Å; F159-F164 AromaticContact CD1-CE1 3.98Å; F159-F164 HydrophobicContact CD1-CE1 3.98Å; F159-F164 HydrophobicContact CD1-CE2 4.11Å; F159-F164 AromaticContact CD1-CZ 3.75Å; F159-F164 HydrophobicContact CD1-CZ 3.75Å; F159-F164 HydrophobicContact CG-CE1 4.33Å; F159-F164 WeakPolarHBondContact O-CD1 3.38Å; F159-Q165 PolarHBondContact O-NE2 3.01Å
160	E	74.7	Confident	74.6	Confident	45 Å²	45	74 Å²	74	21%	0.21	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	1.8	179.5	-66.2	-177.2	-156.3	0	0	112.2	F154 S155 K157	F154-E160 WeakPolarHBondContact CB-O 3.42Å; F154-E160 WeakPolarHBondContact CD1-O 3.42Å; F154-E160 WeakPolarHBondContact CG-O 3.35Å; S155-E160 WeakPolarHBondContact CB-OE2 3.33Å; S155-E160 VanDerWaalsContact OG-CD 3.25Å; S155-E160 PolarHBondContact OG-OE2 3.5Å; K157-E160 HydrophobicContact CB-CB 4.28Å; K157-E160 HydrophobicContact CB-CG 4.22Å; K157-E160 VanDerWaalsContact CD-OE1 3.32Å; K157-E160 WeakPolarHBondContact CD-OE1 3.11Å; K157-E160 IonicContact NZ-OE1 3.67Å; K157-E160 PolarHBondContact O-N 3.48Å
161	T	82	Confident	76.6	Confident	56 Å²	56	69.6 Å²	69.6	34%	0.344	34%	0.344	S	S	.	.	S	Bend	trans	-65	147.2	178.4	70	0	0	0	0	111.8	D163 F164 Q165	T161-D163 PolarHBondContact O-N 3.35Å; T161-F164 WeakPolarHBondContact O-CB 3.5Å; T161-F164 PolarHBondContact O-N 3.34Å; T161-F164 WeakPolarHBondContact OG1-CB 3.48Å; T161-F164 PolarHBondContact OG1-N 2.8Å; T161-Q165 WeakPolarHBondContact O-CG 3.41Å; T161-Q165 PolarHBondContact O-N 3.36Å
162	M	83.2	Confident	78.5	Confident	66 Å²	66	63.7 Å²	63.7	33%	0.325	32%	0.322	S	S	.	.	H	α-helix	trans	-55.8	-40.7	-179.8	-174.7	-175.4	-66.8	0	0	112.2	F145 F154 F164 Q165 K166	F145-M162 HydrophobicContact CB-CG 4.32Å; F145-M162 HydrophobicContact CB-SD 4.38Å; F154-M162 HydrophobicContact CD2-CB 4.15Å; F154-M162 HydrophobicContact CD2-CE 4.49Å; F154-M162 HydrophobicContact CE2-CB 4.33Å; F154-M162 HydrophobicContact CE2-CG 4.39Å; M162-F164 VanDerWaalsContact C-N 3.34Å; M162-F164 PolarHBondContact O-N 2.75Å; M162-Q165 PolarHBondContact O-N 3.42Å; M162-K166 HydrophobicContact CG-CD 4.33Å; M162-K166 WeakPolarHBondContact O-CG 3.23Å; M162-K166 PolarHBondContact O-N 3Å
163	D	85.9	Confident	80.5	Confident	103 Å²	103	57.9 Å²	57.9	55%	0.551	30%	0.297	S	S	*	.	H	α-helix	trans	-65.7	-36.9	178.8	-71.8	-14.7	0	0	0	112.3	T161 R167	T161-D163 PolarHBondContact O-N 3.35Å; D163-R167 WeakPolarHBondContact O-CG 3.25Å; D163-R167 PolarHBondContact O-N 3.31Å; D163-R167 VanDerWaalsContact O-N 3.13Å
164	F	88.9	Confident	82.4	Confident	7 Å²	7	56.5 Å²	56.5	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-43.5	174.7	-167.1	-100	0	0	0	111.2	A111 K112 F159 T161 M162 K166 R167 I168	A111-F164 HydrophobicContact CB-CD2 4.33Å; A111-F164 HydrophobicContact CB-CE1 4.44Å; A111-F164 HydrophobicContact CB-CE2 3.79Å; A111-F164 HydrophobicContact CB-CZ 3.85Å; A111-F164 WeakPolarHBondContact O-CE2 3.38Å; K112-F164 HydrophobicContact CG-CE2 3.8Å; K112-F164 HydrophobicContact CG-CZ 3.78Å; F159-F164 HydrophobicContact CB-CD1 4.12Å; F159-F164 HydrophobicContact CB-CE1 3.84Å; F159-F164 HydrophobicContact CB-CZ 4.48Å; F159-F164 AromaticContact CD1-CE1 3.98Å; F159-F164 HydrophobicContact CD1-CE1 3.98Å; F159-F164 HydrophobicContact CD1-CE2 4.11Å; F159-F164 AromaticContact CD1-CZ 3.75Å; F159-F164 HydrophobicContact CD1-CZ 3.75Å; F159-F164 HydrophobicContact CG-CE1 4.33Å; F159-F164 WeakPolarHBondContact O-CD1 3.38Å; T161-F164 WeakPolarHBondContact O-CB 3.5Å; T161-F164 PolarHBondContact O-N 3.34Å; T161-F164 WeakPolarHBondContact OG1-CB 3.48Å; T161-F164 PolarHBondContact OG1-N 2.8Å; M162-F164 VanDerWaalsContact C-N 3.34Å; M162-F164 PolarHBondContact O-N 2.75Å; F164-K166 PolarHBondContact O-N 3Å; F164-R167 WeakPolarHBondContact O-CB 3.46Å; F164-R167 PolarHBondContact O-N 3.47Å; F164-R167 VanDerWaalsContact O-N 3.15Å; F164-I168 HydrophobicContact CD1-CD1 3.61Å; F164-I168 HydrophobicContact CD1-CG1 4.22Å; F164-I168 HydrophobicContact CE1-CD1 3.55Å; F164-I168 HydrophobicContact CE1-CG1 4.1Å; F164-I168 WeakPolarHBondContact O-CG1 3.28Å; F164-I168 PolarHBondContact O-N 3.36Å
165	Q	90.1	Very high	84.4	Confident	2 Å²	2	55 Å²	55	1%	0.009	27%	0.269	C	S	.	.	H	α-helix	trans	-67.5	-35.2	179.3	-62	-66.8	-42	0	0	112.3	V16 F145 F154 F159 T161 M162 I168 L169	V16-Q165 HydrophobicContact CB-CB 4.43Å; V16-Q165 HydrophobicContact CG1-CB 4.31Å; V16-Q165 WeakPolarHBondContact CG1-O 3.2Å; F145-Q165 HydrophobicContact CD1-CB 4.47Å; F145-Q165 HydrophobicContact CE1-CB 3.68Å; F145-Q165 HydrophobicContact CZ-CB 4.38Å; F154-Q165 HydrophobicContact CD1-CG 4.31Å; F154-Q165 HydrophobicContact CE1-CB 4.35Å; F154-Q165 HydrophobicContact CE1-CG 3.68Å; F154-Q165 HydrophobicContact CZ-CB 4.31Å; F154-Q165 HydrophobicContact CZ-CG 4.13Å; F159-Q165 PolarHBondContact O-NE2 3.01Å; T161-Q165 WeakPolarHBondContact O-CG 3.41Å; T161-Q165 PolarHBondContact O-N 3.36Å; M162-Q165 PolarHBondContact O-N 3.42Å; Q165-I168 PolarHBondContact O-N 3.39Å; Q165-L169 PolarHBondContact O-N 2.85Å
166	K	90.4	Very high	86.2	Confident	86 Å²	86	53.7 Å²	53.7	37%	0.374	26%	0.26	S	S	.	.	H	α-helix	trans	-60.4	-43.8	169.5	-76.4	172.3	-179.9	170	0	111.8	F145 M162 F164 L169 I170	F145-K166 HydrophobicContact CD2-CG 3.74Å; F145-K166 HydrophobicContact CE1-CG 4.47Å; F145-K166 HydrophobicContact CE2-CB 4.35Å; F145-K166 HydrophobicContact CE2-CG 3.6Å; F145-K166 HydrophobicContact CG-CG 4.23Å; F145-K166 HydrophobicContact CZ-CB 4.49Å; F145-K166 HydrophobicContact CZ-CG 4Å; M162-K166 HydrophobicContact CG-CD 4.33Å; M162-K166 WeakPolarHBondContact O-CG 3.23Å; M162-K166 PolarHBondContact O-N 3Å; F164-K166 PolarHBondContact O-N 3Å; K166-L169 PolarHBondContact O-N 2.75Å; K166-I170 WeakPolarHBondContact O-CG1 3.27Å; K166-I170 PolarHBondContact O-N 3.01Å; K166-I170 VanDerWaalsContact O-N 3.09Å
167	R	92.2	Very high	87.9	Confident	69 Å²	69	53.6 Å²	53.6	26%	0.26	25%	0.247	S	C	.	.	H	α-helix	trans	-62.2	-44.6	175.6	-73.2	-163.8	-63.1	-92.4	8.8	111.9	A111 D163 F164 L169 I170 Y171	A111-R167 HydrophobicContact CB-CB 3.92Å; A111-R167 PolarHBondContact O-NE 3.17Å; D163-R167 WeakPolarHBondContact O-CG 3.25Å; D163-R167 PolarHBondContact O-N 3.31Å; D163-R167 VanDerWaalsContact O-N 3.13Å; F164-R167 WeakPolarHBondContact O-CB 3.46Å; F164-R167 PolarHBondContact O-N 3.47Å; F164-R167 VanDerWaalsContact O-N 3.15Å; R167-L169 VanDerWaalsContact C-N 3.29Å; R167-L169 PolarHBondContact O-N 3.33Å; R167-I170 WeakPolarHBondContact O-CB 3.24Å; R167-I170 PolarHBondContact O-N 2.81Å; R167-Y171 HydrophobicContact CB-CD2 4.5Å; R167-Y171 HydrophobicContact CB-CE2 4.12Å; R167-Y171 WeakPolarHBondContact O-CD2 3.2Å; R167-Y171 PolarHBondContact O-N 3.19Å
168	I	94.4	Very high	89.3	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-54.7	-47.1	175	-71.3	169.6	0	0	0	110.7	V16 A107 N108 A111 F164 Q165 I170 Y171 Y172	V16-I168 HydrophobicContact CG1-CB 4.42Å; V16-I168 HydrophobicContact CG1-CG2 4.1Å; A107-I168 HydrophobicContact CB-CG2 4.19Å; N108-I168 VanDerWaalsContact OD1-CD1 3.28Å; N108-I168 WeakPolarHBondContact OD1-CD1 2.87Å; A111-I168 HydrophobicContact CB-CG1 3.84Å; F164-I168 HydrophobicContact CD1-CD1 3.61Å; F164-I168 HydrophobicContact CD1-CG1 4.22Å; F164-I168 HydrophobicContact CE1-CD1 3.55Å; F164-I168 HydrophobicContact CE1-CG1 4.1Å; F164-I168 WeakPolarHBondContact O-CG1 3.28Å; F164-I168 PolarHBondContact O-N 3.36Å; Q165-I168 PolarHBondContact O-N 3.39Å; I168-I170 VanDerWaalsContact C-N 3.35Å; I168-I170 PolarHBondContact O-N 3.38Å; I168-Y171 CarbonylContact O-C 3.6Å; I168-Y171 PolarHBondContact O-N 3.07Å; I168-Y171 VanDerWaalsContact O-N 3.1Å; I168-Y172 HydrophobicContact CG2-CD2 3.51Å; I168-Y172 HydrophobicContact CG2-CE2 3.23Å; I168-Y172 WeakPolarHBondContact O-CD2 3.15Å; I168-Y172 PolarHBondContact O-N 3.1Å
169	L	93.1	Very high	90.6	Very high	40 Å²	40	45.4 Å²	45.4	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-40.4	-179.4	-172.7	62.8	0	0	0	112.5	V16 A141 F145 Q165 K166 R167 Y171 Y172 G173 W199	V16-L169 HydrophobicContact CG1-CB 4.26Å; A141-L169 HydrophobicContact CB-CD1 3.58Å; F145-L169 HydrophobicContact CE2-CB 4.47Å; F145-L169 HydrophobicContact CE2-CD2 3.65Å; F145-L169 HydrophobicContact CZ-CB 4.11Å; F145-L169 HydrophobicContact CZ-CD2 3.89Å; Q165-L169 PolarHBondContact O-N 2.85Å; K166-L169 PolarHBondContact O-N 2.75Å; R167-L169 VanDerWaalsContact C-N 3.29Å; R167-L169 PolarHBondContact O-N 3.33Å; L169-Y171 VanDerWaalsContact C-N 3.27Å; L169-Y171 PolarHBondContact O-N 2.77Å; L169-Y172 PolarHBondContact O-N 3.44Å; L169-G173 PolarHBondContact O-N 2.97Å; L169-W199 HydrophobicContact CD1-CH2 4.12Å; L169-W199 HydrophobicContact CD1-CZ3 3.6Å
170	I	93.9	Very high	91.7	Very high	110 Å²	110	46.2 Å²	46.2	56%	0.564	22%	0.217	S	C	*	.	H	α-helix	trans	-57.3	-44.2	173.2	-68.7	166.6	0	0	0	110.4	K166 R167 I168 G173 R174	K166-I170 WeakPolarHBondContact O-CG1 3.27Å; K166-I170 PolarHBondContact O-N 3.01Å; K166-I170 VanDerWaalsContact O-N 3.09Å; R167-I170 WeakPolarHBondContact O-CB 3.24Å; R167-I170 PolarHBondContact O-N 2.81Å; I168-I170 VanDerWaalsContact C-N 3.35Å; I168-I170 PolarHBondContact O-N 3.38Å; I170-G173 PolarHBondContact O-N 3.07Å; I170-R174 PolarHBondContact O-N 3.42Å
171	Y	97	Very high	92.4	Very high	29 Å²	29	46.6 Å²	46.6	11%	0.114	22%	0.224	C	C	.	.	H	α-helix	trans	-75	-31.4	-178.7	-64.7	-49.6	0	0	0	113.8	A110 A111 L116 W121 R167 I168 L169 G173 R174 L175	A110-Y171 HydrophobicContact CB-CD1 4.22Å; A110-Y171 HydrophobicContact CB-CD2 3.81Å; A110-Y171 HydrophobicContact CB-CE2 4.17Å; A110-Y171 HydrophobicContact CB-CG 3.86Å; A111-Y171 HydrophobicContact CB-CD2 4.04Å; A111-Y171 HydrophobicContact CB-CE2 4.16Å; L116-Y171 WeakPolarHBondContact CB-OH 3.28Å; L116-Y171 HydrophobicContact CD2-CD1 3.92Å; L116-Y171 HydrophobicContact CD2-CE1 3.19Å; L116-Y171 HydrophobicContact CD2-CE2 4.46Å; L116-Y171 HydrophobicContact CG-CE1 4.47Å; W121-Y171 HydrophobicContact CE3-CD1 4.29Å; W121-Y171 AromaticContact CZ3-CD1 3.87Å; W121-Y171 HydrophobicContact CZ3-CD1 3.87Å; W121-Y171 HydrophobicContact CZ3-CG 4.16Å; R167-Y171 HydrophobicContact CB-CD2 4.5Å; R167-Y171 HydrophobicContact CB-CE2 4.12Å; R167-Y171 WeakPolarHBondContact O-CD2 3.2Å; R167-Y171 PolarHBondContact O-N 3.19Å; I168-Y171 CarbonylContact O-C 3.6Å; I168-Y171 PolarHBondContact O-N 3.07Å; I168-Y171 VanDerWaalsContact O-N 3.1Å; L169-Y171 VanDerWaalsContact C-N 3.27Å; L169-Y171 PolarHBondContact O-N 2.77Å; Y171-G173 VanDerWaalsContact C-N 3.35Å; Y171-R174 PolarHBondContact O-N 2.9Å; Y171-L175 VanDerWaalsContact O-CB 3.26Å; Y171-L175 WeakPolarHBondContact O-CB 3.4Å; Y171-L175 PolarHBondContact O-N 3.27Å
172	Y	97.3	Very high	92.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-45.2	166	-78.1	-55.7	0	0	0	111.3	E14 G15 S104 A107 I168 L169 R174 L175 S176 W197	E14-Y172 HydrophobicContact CB-CE1 3.89Å; E14-Y172 HydrophobicContact CG-CE1 4.18Å; E14-Y172 PolarHBondContact OE2-OH 2.97Å; G15-Y172 PolarHBondContact N-OH 2.93Å; S104-Y172 WeakPolarHBondContact CA-OH 3.45Å; S104-Y172 PolarHBondContact OG-OH 3.05Å; A107-Y172 HydrophobicContact CB-CD1 3.91Å; A107-Y172 HydrophobicContact CB-CD2 4.31Å; A107-Y172 HydrophobicContact CB-CE1 3.93Å; A107-Y172 HydrophobicContact CB-CE2 4.31Å; A107-Y172 HydrophobicContact CB-CG 4.11Å; I168-Y172 HydrophobicContact CG2-CD2 3.51Å; I168-Y172 HydrophobicContact CG2-CE2 3.23Å; I168-Y172 WeakPolarHBondContact O-CD2 3.15Å; I168-Y172 PolarHBondContact O-N 3.1Å; L169-Y172 PolarHBondContact O-N 3.44Å; Y172-R174 VanDerWaalsContact C-N 3.31Å; Y172-R174 PolarHBondContact O-N 2.9Å; Y172-L175 PolarHBondContact O-N 3.45Å; Y172-S176 WeakPolarHBondContact O-CB 3.41Å; Y172-S176 PolarHBondContact O-N 3.31Å; Y172-S176 PolarHBondContact O-OG 3.41Å; Y172-W197 AromaticContact CD1-CH2 3.87Å; Y172-W197 HydrophobicContact CD1-CH2 3.87Å; Y172-W197 HydrophobicContact CD1-CZ3 4.04Å; Y172-W197 HydrophobicContact CE1-CH2 4.45Å
173	G	96.2	Very high	92.9	Very high	10 Å²	10	48.7 Å²	48.7	10%	0.103	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-37.2	176.9	0	0	0	0	0	113	L169 I170 Y171 S176 R177	L169-G173 PolarHBondContact O-N 2.97Å; I170-G173 PolarHBondContact O-N 3.07Å; Y171-G173 VanDerWaalsContact C-N 3.35Å; G173-S176 PolarHBondContact O-OG 3.01Å; G173-R177 WeakPolarHBondContact O-CG 3.39Å; G173-R177 PolarHBondContact O-N 3.27Å; G173-R177 PolarHBondContact O-NH1 3.04Å; G173-R177 VanDerWaalsContact O-NH1 3.08Å
174	R	97.2	Very high	92.6	Very high	47 Å²	47	47.5 Å²	47.5	18%	0.177	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-50.9	172.5	-176.5	-179.5	176.4	168.3	3.2	110.9	E118 W121 I170 Y171 Y172 S176 R177 E178	E118-R174 VanDerWaalsContact CD-NH2 3.27Å; E118-R174 IonicContact OE1-CZ 2.62Å; E118-R174 VanDerWaalsContact OE1-CZ 3.28Å; E118-R174 IonicContact OE1-NH1 3.4Å; E118-R174 PolarHBondContact OE1-NH1 3.03Å; E118-R174 IonicContact OE1-NH2 3.78Å; E118-R174 PolarHBondContact OE1-NH2 3.29Å; E118-R174 IonicContact OE2-CZ 3.38Å; E118-R174 IonicContact OE2-NH1 2.64Å; E118-R174 IonicContact OE2-NH2 3.06Å; E118-R174 PolarHBondContact OE2-NH2 3.36Å; W121-R174 VanDerWaalsContact CG-CZ 3.44Å; W121-R174 HydrophobicContact CH2-CB 4.08Å; W121-R174 HydrophobicContact CH2-CG 4.01Å; W121-R174 HydrophobicContact CZ2-CB 4.11Å; W121-R174 HydrophobicContact CZ2-CG 3.56Å; W121-R174 VanDerWaalsContact NE1-CZ 3.34Å; W121-R174 VanDerWaalsContact NE1-NE 3.15Å; I170-R174 PolarHBondContact O-N 3.42Å; Y171-R174 PolarHBondContact O-N 2.9Å; Y172-R174 VanDerWaalsContact C-N 3.31Å; Y172-R174 PolarHBondContact O-N 2.9Å; R174-S176 PolarHBondContact O-N 3.1Å; R174-R177 PolarHBondContact O-N 3.49Å; R174-E178 WeakPolarHBondContact CG-OE1 3.3Å; R174-E178 IonicContact CZ-OE1 2.98Å; R174-E178 IonicContact NE-OE1 3.73Å; R174-E178 PolarHBondContact NE-OE1 2.8Å; R174-E178 IonicContact NH2-OE1 3.51Å; R174-E178 PolarHBondContact NH2-OE1 3.36Å; R174-E178 PolarHBondContact O-N 3.3Å
175	L	97.3	Very high	92	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-45.7	-178	-172.6	56.4	0	0	0	111.9	Y103 I106 W121 R125 Y171 Y172 R177 E178 M179 W197	Y103-L175 HydrophobicContact CD1-CD2 3.92Å; Y103-L175 HydrophobicContact CG-CD2 4.39Å; I106-L175 HydrophobicContact CB-CD2 4.1Å; I106-L175 HydrophobicContact CD1-CD1 4.19Å; I106-L175 HydrophobicContact CD1-CD2 3.92Å; I106-L175 HydrophobicContact CG2-CD1 4.38Å; I106-L175 HydrophobicContact CG2-CD2 4.05Å; W121-L175 HydrophobicContact CH2-CB 3.97Å; W121-L175 HydrophobicContact CH2-CD1 4.46Å; W121-L175 HydrophobicContact CZ2-CB 4.29Å; W121-L175 HydrophobicContact CZ2-CD1 4.33Å; R125-L175 HydrophobicContact CG-CD1 4.15Å; Y171-L175 VanDerWaalsContact O-CB 3.26Å; Y171-L175 WeakPolarHBondContact O-CB 3.4Å; Y171-L175 PolarHBondContact O-N 3.27Å; Y172-L175 PolarHBondContact O-N 3.45Å; L175-R177 PolarHBondContact O-N 3.38Å; L175-E178 PolarHBondContact O-N 3.43Å; L175-M179 HydrophobicContact CD1-CG 4.06Å; L175-M179 HydrophobicContact CD1-SD 3.93Å; L175-M179 HydrophobicContact CG-CG 4.43Å; L175-M179 HydrophobicContact CG-SD 3.97Å; L175-M179 WeakPolarHBondContact O-CB 3.24Å; L175-M179 WeakPolarHBondContact O-CG 3.39Å; L175-M179 PolarHBondContact O-N 2.85Å; L175-W197 HydrophobicContact CD2-CH2 4.28Å; L175-W197 HydrophobicContact CD2-CZ2 4.1Å; L175-W197 HydrophobicContact CG-CZ2 4.02Å
176	S	96	Very high	90.9	Very high	9 Å²	9	60.7 Å²	60.7	6%	0.063	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-44.8	179.4	73.7	0	0	0	0	111.1	Y172 G173 R174 E180 W197	Y172-S176 WeakPolarHBondContact O-CB 3.41Å; Y172-S176 PolarHBondContact O-N 3.31Å; Y172-S176 PolarHBondContact O-OG 3.41Å; G173-S176 PolarHBondContact O-OG 3.01Å; R174-S176 PolarHBondContact O-N 3.1Å; S176-E180 WeakPolarHBondContact O-CB 3.3Å; S176-E180 WeakPolarHBondContact O-CG 3.26Å; S176-E180 PolarHBondContact O-N 3.4Å; S176-W197 VanDerWaalsContact CB-CD2 3.44Å
177	R	95.2	Very high	89.6	Confident	168 Å²	168	59.1 Å²	59.1	63%	0.634	29%	0.294	S	S	*	.	H	α-helix	trans	-64.5	-44	178.9	-73.9	-170.6	-57.2	-87.1	-0.5	112.6	G173 R174 L175 S181	G173-R177 WeakPolarHBondContact O-CG 3.39Å; G173-R177 PolarHBondContact O-N 3.27Å; G173-R177 PolarHBondContact O-NH1 3.04Å; G173-R177 VanDerWaalsContact O-NH1 3.08Å; R174-R177 PolarHBondContact O-N 3.49Å; L175-R177 PolarHBondContact O-N 3.38Å; R177-S181 WeakPolarHBondContact O-CB 3.41Å; R177-S181 PolarHBondContact O-N 2.96Å; R177-S181 VanDerWaalsContact O-N 3.09Å
178	E	95.1	Very high	88.2	Confident	48 Å²	48	63.8 Å²	63.8	22%	0.224	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-45	179.4	-71.5	-179.7	-168	0	0	111.1	W121 R125 R174 L175 S181 E182	W121-E178 PolarHBondContact NE1-OE1 2.96Å; W121-E178 PolarHBondContact NE1-OE2 3.31Å; R125-E178 IonicContact CZ-OE2 3.2Å; R125-E178 IonicContact NE-OE2 3.44Å; R125-E178 IonicContact NH1-OE2 3.96Å; R125-E178 PolarHBondContact NH1-OE2 3.37Å; R174-E178 WeakPolarHBondContact CG-OE1 3.3Å; R174-E178 IonicContact CZ-OE1 2.98Å; R174-E178 IonicContact NE-OE1 3.73Å; R174-E178 PolarHBondContact NE-OE1 2.8Å; R174-E178 IonicContact NH2-OE1 3.51Å; R174-E178 PolarHBondContact NH2-OE1 3.36Å; R174-E178 PolarHBondContact O-N 3.3Å; L175-E178 PolarHBondContact O-N 3.43Å; E178-S181 WeakPolarHBondContact O-CB 3.4Å; E178-S181 PolarHBondContact O-N 3.41Å; E178-E182 VanDerWaalsContact O-CG 3.25Å; E178-E182 WeakPolarHBondContact O-CG 3.27Å; E178-E182 PolarHBondContact O-N 2.91Å
179	M	93.6	Very high	86.4	Confident	23 Å²	23	67.6 Å²	67.6	11%	0.113	35%	0.347	C	S	.	.	H	α-helix	trans	-67.1	-41.5	179.5	-71.2	-174.6	73.4	0	0	113.4	Y103 L175 S181 E182 L183 L196 W197	Y103-M179 HydrophobicContact CD1-SD 3.97Å; Y103-M179 HydrophobicContact CE1-CE 3.69Å; Y103-M179 HydrophobicContact CE1-SD 3.69Å; L175-M179 HydrophobicContact CD1-CG 4.06Å; L175-M179 HydrophobicContact CD1-SD 3.93Å; L175-M179 HydrophobicContact CG-CG 4.43Å; L175-M179 HydrophobicContact CG-SD 3.97Å; L175-M179 WeakPolarHBondContact O-CB 3.24Å; L175-M179 WeakPolarHBondContact O-CG 3.39Å; L175-M179 PolarHBondContact O-N 2.85Å; M179-S181 VanDerWaalsContact C-N 3.3Å; M179-S181 PolarHBondContact O-N 3.41Å; M179-E182 PolarHBondContact O-N 3.39Å; M179-L183 WeakPolarHBondContact O-CG 3.47Å; M179-L183 PolarHBondContact O-N 2.84Å; M179-L196 HydrophobicContact CE-CD2 3.69Å; M179-W197 HydrophobicContact SD-CZ2 4.2Å
180	E	91.1	Very high	84.4	Confident	49 Å²	49	75.2 Å²	75.2	23%	0.229	38%	0.379	C	S	.	.	H	α-helix	trans	-64.8	-36.7	176.5	-67.3	-72.4	167.4	0	0	111.3	S176 L183 S184 L196 W197	S176-E180 WeakPolarHBondContact O-CB 3.3Å; S176-E180 WeakPolarHBondContact O-CG 3.26Å; S176-E180 PolarHBondContact O-N 3.4Å; E180-L183 PolarHBondContact O-N 3.25Å; E180-S184 PolarHBondContact O-N 3.06Å; E180-S184 PolarHBondContact O-OG 3.18Å; E180-L196 PolarHBondContact OE1-N 2.74Å; E180-W197 WeakPolarHBondContact OE1-CB 3.4Å; E180-W197 PolarHBondContact OE1-N 3.46Å
181	S	90.1	Very high	82.6	Confident	53 Å²	53	76.2 Å²	76.2	37%	0.371	39%	0.385	S	S	.	.	H	α-helix	trans	-62.2	-48.4	173.4	-164	0	0	0	0	111	R177 E178 M179 L183 S184 E185	R177-S181 WeakPolarHBondContact O-CB 3.41Å; R177-S181 PolarHBondContact O-N 2.96Å; R177-S181 VanDerWaalsContact O-N 3.09Å; E178-S181 WeakPolarHBondContact O-CB 3.4Å; E178-S181 PolarHBondContact O-N 3.41Å; M179-S181 VanDerWaalsContact C-N 3.3Å; M179-S181 PolarHBondContact O-N 3.41Å; S181-L183 VanDerWaalsContact C-N 3.28Å; S181-L183 PolarHBondContact O-N 2.9Å; S181-S184 PolarHBondContact O-N 3.28Å; S181-S184 PolarHBondContact O-OG 3.23Å; S181-E185 WeakPolarHBondContact O-CG 3.07Å; S181-E185 PolarHBondContact O-N 2.86Å
182	E	90	Very high	80.5	Confident	78 Å²	78	83.9 Å²	83.9	36%	0.364	42%	0.422	S	S	.	.	H	α-helix	trans	-60.2	-36.1	178.6	-71.7	160.9	-164.7	0	0	112.2	R125 E178 M179 N186	R125-E182 IonicContact CZ-OE1 2.79Å; R125-E182 VanDerWaalsContact CZ-OE1 3.25Å; R125-E182 IonicContact CZ-OE2 3.28Å; R125-E182 IonicContact NH1-OE1 2.97Å; R125-E182 PolarHBondContact NH1-OE1 3.08Å; R125-E182 IonicContact NH2-OE1 3.49Å; R125-E182 PolarHBondContact NH2-OE1 2.88Å; R125-E182 IonicContact NH2-OE2 3.81Å; R125-E182 PolarHBondContact NH2-OE2 3.31Å; E178-E182 VanDerWaalsContact O-CG 3.25Å; E178-E182 WeakPolarHBondContact O-CG 3.27Å; E178-E182 PolarHBondContact O-N 2.91Å; M179-E182 PolarHBondContact O-N 3.39Å; E182-N186 PolarHBondContact O-ND2 3.04Å
183	L	84.9	Confident	78.5	Confident	88 Å²	88	90.5 Å²	90.5	46%	0.461	45%	0.453	S	S	.	.	H	α-helix	trans	-69.7	-44.5	174.4	-70.2	172.6	0	0	0	111.7	M179 E180 S181 E185 N186 D187 L196	M179-L183 WeakPolarHBondContact O-CG 3.47Å; M179-L183 PolarHBondContact O-N 2.84Å; E180-L183 PolarHBondContact O-N 3.25Å; S181-L183 VanDerWaalsContact C-N 3.28Å; S181-L183 PolarHBondContact O-N 2.9Å; L183-E185 VanDerWaalsContact C-N 3.28Å; L183-E185 PolarHBondContact O-N 2.79Å; L183-N186 PolarHBondContact O-N 3.48Å; L183-N186 VanDerWaalsContact O-N 3.12Å; L183-D187 PolarHBondContact O-N 2.99Å; L183-D187 VanDerWaalsContact O-N 3.13Å; L183-L196 HydrophobicContact CD1-CB 3.81Å; L183-L196 HydrophobicContact CD1-CD2 4Å
184	S	79.7	Confident	76.8	Confident	79 Å²	79	92.5 Å²	92.5	55%	0.552	46%	0.464	S	S	*	.	H	α-helix	trans	-66.6	-26.6	-179.7	70.6	0	0	0	0	114.4	E180 S181 N186	E180-S184 PolarHBondContact O-N 3.06Å; E180-S184 PolarHBondContact O-OG 3.18Å; S181-S184 PolarHBondContact O-N 3.28Å; S181-S184 PolarHBondContact O-OG 3.23Å; S184-N186 VanDerWaalsContact C-N 3.34Å
185	E	76.3	Confident	76	Confident	148 Å²	148	98.9 Å²	98.9	69%	0.692	49%	0.488	S	S	*	.	H	α-helix	trans	-76.6	-23.5	174.7	-74.5	176.1	-165.1	0	0	112.6	S181 L183	S181-E185 WeakPolarHBondContact O-CG 3.07Å; S181-E185 PolarHBondContact O-N 2.86Å; L183-E185 VanDerWaalsContact C-N 3.28Å; L183-E185 PolarHBondContact O-N 2.79Å
186	N	67.4	Low	75.8	Confident	138 Å²	138	99.7 Å²	99.7	74%	0.738	49%	0.492	S	S	*	.	H	α-helix	trans	-94.6	-12.3	-180	-71.8	-49.7	0	0	0	113.1	E182 L183 S184	E182-N186 PolarHBondContact O-ND2 3.04Å; L183-N186 PolarHBondContact O-N 3.48Å; L183-N186 VanDerWaalsContact O-N 3.12Å; S184-N186 VanDerWaalsContact C-N 3.34Å
187	D	64.2	Low	75.7	Confident	53 Å²	53	99.7 Å²	99.7	28%	0.283	49%	0.491	S	S	.	.			trans	-101.4	98.9	178.8	-167	5.2	0	0	0	111.2	L183 T189	L183-D187 PolarHBondContact O-N 2.99Å; L183-D187 VanDerWaalsContact O-N 3.13Å; D187-T189 PolarHBondContact O-N 3.31Å; D187-T189 WeakPolarHBondContact OD1-CA 3.47Å; D187-T189 WeakPolarHBondContact OD1-CB 3.5Å; D187-T189 PolarHBondContact OD1-N 3.47Å; D187-T189 PolarHBondContact OD1-OG1 3.09Å; D187-T189 PolarHBondContact OD2-OG1 3.04Å
188	D	61.5	Low	75.7	Confident	166 Å²	166	93.2 Å²	93.2	89%	0.888	47%	0.467	S	S	*	.			trans	-68.6	-14.4	172.8	-81.2	-35.5	0	0	0	112.2
189	T	57.8	Low	75.7	Confident	82 Å²	82	96 Å²	96	50%	0.503	48%	0.476	S	S	.	.			trans	-86.9	114.1	177.3	74.2	0	0	0	0	108.5	D187 D191	D187-T189 PolarHBondContact O-N 3.31Å; D187-T189 WeakPolarHBondContact OD1-CA 3.47Å; D187-T189 WeakPolarHBondContact OD1-CB 3.5Å; D187-T189 PolarHBondContact OD1-N 3.47Å; D187-T189 PolarHBondContact OD1-OG1 3.09Å; D187-T189 PolarHBondContact OD2-OG1 3.04Å; T189-D191 PolarHBondContact O-N 3.23Å
190	K	51.5	Low	75.7	Confident	200 Å²	200	95.2 Å²	95.2	87%	0.87	47%	0.472	S	S	*	.			trans	-67.5	11.3	172.6	-71	-173.9	178	-179.9	0	113.2	H192	K190-H192 PolarHBondContact O-N 3.2Å
191	D	54.6	Low	75.7	Confident	132 Å²	132	94.8 Å²	94.8	71%	0.706	47%	0.474	S	S	*	.	S	Bend	trans	-66.8	125.4	173.2	-101.2	-23.5	0	0	0	106.9	T189 E193	T189-D191 PolarHBondContact O-N 3.23Å; D191-E193 PolarHBondContact O-N 3.29Å
192	H	54.2	Low	75.5	Confident	189 Å²	189	92.5 Å²	92.5	88%	0.875	46%	0.458	S	S	*	.			trans	-67.8	73.4	-179.9	-66.2	-65.8	0	0	0	109	K190	K190-H192 PolarHBondContact O-N 3.2Å
193	E	54.7	Low	75.2	Confident	140 Å²	140	89.2 Å²	89.2	65%	0.654	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-51.1	143.8	168.2	-85.4	-158.8	161	0	0	108.4	D191 R195	D191-E193 PolarHBondContact O-N 3.29Å; E193-R195 PolarHBondContact O-N 2.73Å; E193-R195 VanDerWaalsContact O-N 3.16Å
194	P	61.1	Low	75.2	Confident	52 Å²	52	89.1 Å²	89.1	34%	0.338	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-57.4	128.4	176.6	23.8	-31.8	0	0	0	108.7	F136 K221	F136-P194 HydrophobicContact CE1-CB 4.19Å; P194-K221 VanDerWaalsContact CG-CE 3.45Å
195	R	80.5	Confident	75.6	Confident	180 Å²	180	88.7 Å²	88.7	68%	0.679	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-50.3	142.8	176	-67.7	-177.9	179.6	177.8	-0.3	110.1	E193 W197 H198	E193-R195 PolarHBondContact O-N 2.73Å; E193-R195 VanDerWaalsContact O-N 3.16Å; R195-W197 VanDerWaalsContact C-N 3.33Å; R195-H198 PolarHBondContact O-NE2 3.19Å
196	L	91.7	Very high	76.3	Confident	19 Å²	19	85.3 Å²	85.3	10%	0.099	44%	0.443	C	S	.	.	S	Bend	trans	-67.5	-39.9	176	178.1	64.2	0	0	0	110.5	P134 I137 M179 E180 L183	P134-L196 HydrophobicContact CG-CD1 4.36Å; P134-L196 WeakPolarHBondContact O-CD1 3.25Å; I137-L196 HydrophobicContact CD1-CD1 4.06Å; I137-L196 HydrophobicContact CD1-CD2 3.79Å; I137-L196 HydrophobicContact CD1-CG 3.64Å; I137-L196 HydrophobicContact CG1-CD1 4.04Å; I137-L196 HydrophobicContact CG1-CG 4.04Å; I137-L196 PolarHBondContact N-O 2.92Å; M179-L196 HydrophobicContact CE-CD2 3.69Å; E180-L196 PolarHBondContact OE1-N 2.74Å; L183-L196 HydrophobicContact CD1-CB 3.81Å; L183-L196 HydrophobicContact CD1-CD2 4Å
197	W	95.5	Very high	77.6	Confident	9 Å²	9	82.2 Å²	82.2	3%	0.034	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.3	-177.2	-72.5	79.9	0	0	0	112.8	Y103 I137 C139 Y172 L175 S176 M179 E180 R195	Y103-W197 HydrophobicContact CD1-CH2 4.34Å; Y103-W197 AromaticContact CD1-CZ2 3.77Å; Y103-W197 HydrophobicContact CD1-CZ2 3.77Å; Y103-W197 HydrophobicContact CE1-CZ2 4.44Å; Y103-W197 HydrophobicContact CG-CH2 4.01Å; Y103-W197 AromaticContact CG-CZ2 3.87Å; Y103-W197 HydrophobicContact CG-CZ2 3.87Å; I137-W197 HydrophobicContact CB-CD2 4.23Å; I137-W197 HydrophobicContact CB-CE3 4.4Å; I137-W197 HydrophobicContact CD1-CD2 4.13Å; I137-W197 HydrophobicContact CD1-CG 4.44Å; I137-W197 HydrophobicContact CD1-CZ2 3.85Å; I137-W197 HydrophobicContact CG2-CD2 4.08Å; I137-W197 HydrophobicContact CG2-CE3 3.83Å; I137-W197 HydrophobicContact CG2-CH2 4.09Å; I137-W197 HydrophobicContact CG2-CZ2 4.32Å; I137-W197 HydrophobicContact CG2-CZ3 3.84Å; C139-W197 HydrophobicContact CB-CE3 4.02Å; C139-W197 HydrophobicContact CB-CZ3 3.99Å; Y172-W197 AromaticContact CD1-CH2 3.87Å; Y172-W197 HydrophobicContact CD1-CH2 3.87Å; Y172-W197 HydrophobicContact CD1-CZ3 4.04Å; Y172-W197 HydrophobicContact CE1-CH2 4.45Å; L175-W197 HydrophobicContact CD2-CH2 4.28Å; L175-W197 HydrophobicContact CD2-CZ2 4.1Å; L175-W197 HydrophobicContact CG-CZ2 4.02Å; S176-W197 VanDerWaalsContact CB-CD2 3.44Å; M179-W197 HydrophobicContact SD-CZ2 4.2Å; E180-W197 WeakPolarHBondContact OE1-CB 3.4Å; E180-W197 PolarHBondContact OE1-N 3.46Å; R195-W197 VanDerWaalsContact C-N 3.33Å
198	H	95.4	Very high	79.1	Confident	31 Å²	31	85.1 Å²	85.1	14%	0.144	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115.2	172.6	-62.3	-80.2	0	0	0	110	F136 I137 F138 C139 R195 I217	F136-H198 AromaticContact CD1-CD2 3.88Å; F136-H198 AromaticContact CD1-NE2 3.5Å; F136-H198 AromaticContact CE1-NE2 3.92Å; I137-H198 PolarHBondContact O-N 2.82Å; F138-H198 CarbonylContact C-O 3.58Å; F138-H198 WeakPolarHBondContact CA-O 3.41Å; F138-H198 HydrophobicContact CD1-CB 3.58Å; F138-H198 HydrophobicContact CE1-CB 3.7Å; F138-H198 AromaticContact CE1-CG 3.93Å; C139-H198 PolarHBondContact N-O 3.17Å; R195-H198 PolarHBondContact O-NE2 3.19Å; H198-I217 HydrophobicContact CB-CD1 4.25Å; H198-I217 WeakPolarHBondContact CE1-CG2 3.35Å; H198-I217 WeakPolarHBondContact NE2-CG2 3.37Å
199	W	94.5	Very high	80.7	Confident	106 Å²	106	82.1 Å²	82.1	40%	0.402	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	119.3	177.3	-69.2	87.5	0	0	0	109.7	C139 A141 L169	C139-W199 HydrophobicContact CB-CD2 4.16Å; C139-W199 HydrophobicContact CB-CE3 3.89Å; C139-W199 HydrophobicContact CB-CH2 4.49Å; C139-W199 HydrophobicContact CB-CZ3 4.07Å; C139-W199 WeakPolarHBondContact SG-CZ3 3.2Å; A141-W199 HydrophobicContact CB-CE3 4.25Å; A141-W199 HydrophobicContact CB-CZ3 4.17Å; L169-W199 HydrophobicContact CD1-CH2 4.12Å; L169-W199 HydrophobicContact CD1-CZ3 3.6Å
200	I	94	Very high	82.5	Confident	7 Å²	7	78.6 Å²	78.6	4%	0.036	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.9	-175.8	-54.1	-61.5	0	0	0	109	F138 C139 L140 A141 A202 T210 I214 I217	F138-I200 HydrophobicContact CB-CG1 4.49Å; F138-I200 HydrophobicContact CD1-CD1 4.16Å; F138-I200 HydrophobicContact CD1-CG1 3.91Å; C139-I200 PolarHBondContact O-N 3.33Å; L140-I200 WeakPolarHBondContact CA-O 3.44Å; L140-I200 HydrophobicContact CD1-CB 4.35Å; L140-I200 HydrophobicContact CG-CB 4.23Å; A141-I200 PolarHBondContact N-O 2.76Å; I200-A202 PolarHBondContact O-N 3.16Å; I200-T210 HydrophobicContact CG2-CG2 3.69Å; I200-I214 HydrophobicContact CG1-CG1 4.48Å; I200-I217 HydrophobicContact CD1-CD1 4.2Å
201	P	90.5	Very high	84.7	Confident	40 Å²	40	70.5 Å²	70.5	26%	0.26	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	124.6	173.8	-23.4	34	0	0	0	110.8	T203	P201-T203 VanDerWaalsContact C-N 3.29Å
202	A	85.7	Confident	86.6	Confident	6 Å²	6	67.8 Å²	67.8	5%	0.05	36%	0.36	C	S	.	.	S	Bend	trans	-80.8	-13.3	177.8	0	0	0	0	0	113	C19 L140 A141 R151 I200	C19-A202 HydrophobicContact CB-CB 3.55Å; C19-A202 VanDerWaalsContact SG-CB 3.57Å; L140-A202 HydrophobicContact CB-CB 4.44Å; A141-A202 PolarHBondContact O-N 3.12Å; R151-A202 PolarHBondContact NH1-O 2.98Å; R151-A202 PolarHBondContact NH2-O 3.48Å; I200-A202 PolarHBondContact O-N 3.16Å
203	T	84.6	Confident	88.5	Confident	9 Å²	9	60.9 Å²	60.9	6%	0.055	33%	0.332	C	S	.	.	S	Bend	trans	-129.5	163.4	-174.3	51.5	0	0	0	0	110.1	P142 E147 I148 P201 Q205	P142-T203 HydrophobicContact CB-CG2 4.47Å; E147-T203 HydrophobicContact CB-CG2 3.8Å; E147-T203 WeakPolarHBondContact OE2-CB 3.41Å; E147-T203 PolarHBondContact OE2-OG1 3.32Å; I148-T203 HydrophobicContact CG2-CG2 3.68Å; P201-T203 VanDerWaalsContact C-N 3.29Å; T203-Q205 PolarHBondContact O-N 2.96Å
204	G	84.9	Confident	90.5	Very high	86 Å²	86	54.2 Å²	54.2	89%	0.887	30%	0.301	S	S	*	.	S	Bend	trans	77.9	-9	-177.5	0	0	0	0	0	115.6
205	Q	86.4	Confident	92.1	Very high	70 Å²	70	53 Å²	53	33%	0.327	29%	0.291	S	S	.	.	S	Bend	trans	-122.7	150.4	178.2	-63.7	-179.4	-28.5	0	0	111.3	T203 E209 T210	T203-Q205 PolarHBondContact O-N 2.96Å; Q205-E209 HydrophobicContact CB-CB 4.22Å; Q205-T210 PolarHBondContact OE1-OG1 3.23Å
206	T	92.2	Very high	92.8	Very high	77 Å²	77	48.1 Å²	48.1	47%	0.472	29%	0.285	S	S	.	.			trans	-71.6	160.7	166.3	62.6	0	0	0	0	110.8	D208 E209 T210	T206-D208 PolarHBondContact O-N 2.81Å; T206-E209 WeakPolarHBondContact CB-OE2 3.46Å; T206-E209 PolarHBondContact N-OE2 3.04Å; T206-E209 PolarHBondContact O-N 2.82Å; T206-E209 WeakPolarHBondContact OG1-CB 3.35Å; T206-E209 WeakPolarHBondContact OG1-CG 3.4Å; T206-E209 PolarHBondContact OG1-N 3.44Å; T206-E209 PolarHBondContact OG1-OE2 3.22Å; T206-T210 PolarHBondContact O-N 3.19Å; T206-T210 PolarHBondContact O-OG1 3.44Å
207	V	93.5	Very high	92.8	Very high	73 Å²	73	48.9 Å²	48.9	44%	0.442	29%	0.288	S	S	.	.	H	α-helix	trans	-55.9	-40.7	176.8	172.9	0	0	0	0	111.3	T23 Q24 L27 H211	T23-V207 HydrophobicContact CG2-CG1 3.67Å; Q24-V207 PolarHBondContact NE2-O 3.28Å; L27-V207 HydrophobicContact CD1-CG1 3.53Å; V207-H211 WeakPolarHBondContact O-CB 3.45Å; V207-H211 PolarHBondContact O-N 3.05Å
208	D	95.9	Very high	92.6	Very high	113 Å²	113	48.4 Å²	48.4	60%	0.604	29%	0.287	S	S	*	.	H	α-helix	trans	-72	-37	-178.6	-62.7	-23	0	0	0	112.5	T206 H211 S212	T206-D208 PolarHBondContact O-N 2.81Å; D208-H211 PolarHBondContact O-N 3Å; D208-S212 WeakPolarHBondContact O-CB 3.4Å; D208-S212 PolarHBondContact O-N 3.15Å; D208-S212 PolarHBondContact O-OG 3.13Å
209	E	95.7	Very high	92.2	Very high	104 Å²	104	51.3 Å²	51.3	49%	0.486	30%	0.303	S	S	.	.	H	α-helix	trans	-65.6	-45.3	174.5	-75.1	164.7	150.8	0	0	111.3	Q205 T206 H211 S212 C213	Q205-E209 HydrophobicContact CB-CB 4.22Å; T206-E209 WeakPolarHBondContact CB-OE2 3.46Å; T206-E209 PolarHBondContact N-OE2 3.04Å; T206-E209 PolarHBondContact O-N 2.82Å; T206-E209 WeakPolarHBondContact OG1-CB 3.35Å; T206-E209 WeakPolarHBondContact OG1-CG 3.4Å; T206-E209 PolarHBondContact OG1-N 3.44Å; T206-E209 PolarHBondContact OG1-OE2 3.22Å; E209-H211 VanDerWaalsContact C-N 3.31Å; E209-H211 PolarHBondContact O-N 2.89Å; E209-S212 PolarHBondContact O-N 3.48Å; E209-C213 PolarHBondContact O-N 2.73Å
210	T	95.3	Very high	91.3	Very high	8 Å²	8	50.2 Å²	50.2	5%	0.049	31%	0.312	C	S	.	.	H	α-helix	trans	-59.1	-44.6	173.9	-62.1	0	0	0	0	110.8	Q24 I200 Q205 T206 C213 I214	Q24-T210 HydrophobicContact CG-CG2 3.94Å; I200-T210 HydrophobicContact CG2-CG2 3.69Å; Q205-T210 PolarHBondContact OE1-OG1 3.23Å; T206-T210 PolarHBondContact O-N 3.19Å; T206-T210 PolarHBondContact O-OG1 3.44Å; T210-C213 WeakPolarHBondContact O-CB 3.36Å; T210-C213 PolarHBondContact O-N 2.87Å; T210-I214 HydrophobicContact CG2-CD1 4.12Å; T210-I214 WeakPolarHBondContact O-CG1 3.01Å; T210-I214 PolarHBondContact O-N 3Å; T210-I214 VanDerWaalsContact O-N 3.11Å
211	H	97.1	Very high	90.4	Very high	29 Å²	29	52.7 Å²	52.7	13%	0.134	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-42.9	178.9	-171.8	57.4	0	0	0	112.2	Q24 L27 V207 D208 E209 C213 I214 M215	Q24-H211 VanDerWaalsContact OE1-CA 3.26Å; Q24-H211 PolarHBondContact OE1-ND1 2.96Å; L27-H211 HydrophobicContact CD1-CB 4.15Å; V207-H211 WeakPolarHBondContact O-CB 3.45Å; V207-H211 PolarHBondContact O-N 3.05Å; D208-H211 PolarHBondContact O-N 3Å; E209-H211 VanDerWaalsContact C-N 3.31Å; E209-H211 PolarHBondContact O-N 2.89Å; H211-C213 VanDerWaalsContact C-N 3.28Å; H211-C213 PolarHBondContact O-N 3.47Å; H211-I214 WeakPolarHBondContact O-CB 3.47Å; H211-I214 PolarHBondContact O-N 3.3Å; H211-I214 VanDerWaalsContact O-N 3.15Å; H211-M215 WeakPolarHBondContact O-CG 3.47Å; H211-M215 PolarHBondContact O-N 3.37Å
212	S	95.6	Very high	89.5	Confident	75 Å²	75	55.1 Å²	55.1	52%	0.524	33%	0.333	S	S	.	.	H	α-helix	trans	-60.8	-37.9	176.5	-59.3	0	0	0	0	111.7	D208 E209 M215 S216	D208-S212 WeakPolarHBondContact O-CB 3.4Å; D208-S212 PolarHBondContact O-N 3.15Å; D208-S212 PolarHBondContact O-OG 3.13Å; E209-S212 PolarHBondContact O-N 3.48Å; S212-M215 PolarHBondContact O-N 3.22Å; S212-S216 WeakPolarHBondContact O-CB 3.37Å; S212-S216 PolarHBondContact O-N 3.2Å
213	C	94.4	Very high	89.7	Confident	44 Å²	44	57.6 Å²	57.6	30%	0.297	35%	0.347	S	S	.	.	H	α-helix	trans	-62.2	-47.8	173.5	-178.4	0	0	0	0	111.7	E209 T210 H211 M215 S216 I217	E209-C213 PolarHBondContact O-N 2.73Å; T210-C213 WeakPolarHBondContact O-CB 3.36Å; T210-C213 PolarHBondContact O-N 2.87Å; H211-C213 VanDerWaalsContact C-N 3.28Å; H211-C213 PolarHBondContact O-N 3.47Å; C213-M215 PolarHBondContact O-N 3.37Å; C213-S216 PolarHBondContact O-N 2.77Å; C213-S216 PolarHBondContact O-OG 3.09Å; C213-I217 PolarHBondContact O-N 3.07Å
214	I	95.9	Very high	90	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-59	-46.7	176.6	-69.9	156.7	0	0	0	111	F13 Q24 L28 F138 I200 T210 H211 S216 I217 I218	F13-I214 HydrophobicContact CE1-CD1 3.69Å; F13-I214 HydrophobicContact CE1-CG1 4.5Å; F13-I214 HydrophobicContact CZ-CD1 4.1Å; F13-I214 HydrophobicContact CZ-CG2 4.3Å; Q24-I214 HydrophobicContact CB-CD1 4Å; Q24-I214 HydrophobicContact CG-CD1 4.06Å; L28-I214 HydrophobicContact CD1-CG2 4.41Å; L28-I214 HydrophobicContact CD2-CG2 4.38Å; F138-I214 HydrophobicContact CD1-CG1 4.02Å; F138-I214 HydrophobicContact CD2-CG2 4.23Å; F138-I214 HydrophobicContact CE1-CB 4.45Å; F138-I214 HydrophobicContact CE1-CG1 4.23Å; F138-I214 HydrophobicContact CE1-CG2 4.23Å; F138-I214 HydrophobicContact CE2-CG2 3.91Å; F138-I214 HydrophobicContact CG-CG1 4.33Å; F138-I214 HydrophobicContact CZ-CG2 3.92Å; I200-I214 HydrophobicContact CG1-CG1 4.48Å; T210-I214 HydrophobicContact CG2-CD1 4.12Å; T210-I214 WeakPolarHBondContact O-CG1 3.01Å; T210-I214 PolarHBondContact O-N 3Å; T210-I214 VanDerWaalsContact O-N 3.11Å; H211-I214 WeakPolarHBondContact O-CB 3.47Å; H211-I214 PolarHBondContact O-N 3.3Å; H211-I214 VanDerWaalsContact O-N 3.15Å; I214-S216 PolarHBondContact O-N 2.6Å; I214-I217 WeakPolarHBondContact O-CB 3.43Å; I214-I217 PolarHBondContact O-N 3.38Å; I214-I218 HydrophobicContact CG2-CD1 3.72Å; I214-I218 WeakPolarHBondContact O-CG1 3.26Å; I214-I218 PolarHBondContact O-N 3Å; I214-I218 VanDerWaalsContact O-N 3.1Å
215	M	95.8	Very high	90.3	Very high	27 Å²	27	58.7 Å²	58.7	13%	0.133	33%	0.333	C	S	.	.	H	α-helix	trans	-60.5	-44.1	178.7	-71.7	-55.8	-58.9	0	0	111.8	L28 A31 I35 H211 S212 C213 I217 I218 D219	L28-M215 HydrophobicContact CD1-SD 3.66Å; A31-M215 HydrophobicContact CB-CE 4.13Å; A31-M215 HydrophobicContact CB-SD 3.83Å; I35-M215 HydrophobicContact CD1-CE 3.56Å; H211-M215 WeakPolarHBondContact O-CG 3.47Å; H211-M215 PolarHBondContact O-N 3.37Å; S212-M215 PolarHBondContact O-N 3.22Å; C213-M215 PolarHBondContact O-N 3.37Å; M215-I217 PolarHBondContact O-N 3.21Å; M215-I217 VanDerWaalsContact O-N 3.12Å; M215-I218 PolarHBondContact O-N 3.43Å; M215-I218 VanDerWaalsContact O-N 3.07Å; M215-D219 WeakPolarHBondContact O-CB 3.47Å; M215-D219 PolarHBondContact O-N 2.97Å
216	S	93.4	Very high	90.5	Very high	78 Å²	78	58.1 Å²	58.1	55%	0.545	33%	0.333	S	S	.	.	H	α-helix	trans	-59.8	-27.6	178.6	75.1	0	0	0	0	113.9	S212 C213 I214	S212-S216 WeakPolarHBondContact O-CB 3.37Å; S212-S216 PolarHBondContact O-N 3.2Å; C213-S216 PolarHBondContact O-N 2.77Å; C213-S216 PolarHBondContact O-OG 3.09Å; I214-S216 PolarHBondContact O-N 2.6Å
217	I	92.6	Very high	90.4	Very high	34 Å²	34	56.9 Å²	56.9	17%	0.174	33%	0.325	C	S	.	.	H	α-helix	trans	-78.9	-44.5	176.4	-68.3	164.5	0	0	0	110.2	F136 F138 H198 I200 C213 I214 M215 S220	F136-I217 HydrophobicContact CD1-CG2 4.21Å; F136-I217 HydrophobicContact CE1-CG2 4.03Å; F138-I217 HydrophobicContact CE1-CB 4.1Å; F138-I217 HydrophobicContact CE1-CD1 3.78Å; F138-I217 HydrophobicContact CE1-CG2 3.91Å; F138-I217 HydrophobicContact CZ-CB 4.15Å; F138-I217 HydrophobicContact CZ-CG2 3.83Å; H198-I217 HydrophobicContact CB-CD1 4.25Å; H198-I217 WeakPolarHBondContact CE1-CG2 3.35Å; H198-I217 WeakPolarHBondContact NE2-CG2 3.37Å; I200-I217 HydrophobicContact CD1-CD1 4.2Å; C213-I217 PolarHBondContact O-N 3.07Å; I214-I217 WeakPolarHBondContact O-CB 3.43Å; I214-I217 PolarHBondContact O-N 3.38Å; M215-I217 PolarHBondContact O-N 3.21Å; M215-I217 VanDerWaalsContact O-N 3.12Å; I217-S220 WeakPolarHBondContact O-CB 3.45Å; I217-S220 PolarHBondContact O-N 3.29Å; I217-S220 PolarHBondContact O-OG 3.11Å
218	I	90.7	Very high	90.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-70.2	-32.7	-177.4	-67.8	173.7	0	0	0	112	L9 V11 L28 L32 F136 F138 I214 M215 S220 K221 L222	L9-I218 HydrophobicContact CD1-CG2 3.66Å; V11-I218 HydrophobicContact CG2-CD1 4.33Å; L28-I218 HydrophobicContact CD1-CD1 3.38Å; L28-I218 HydrophobicContact CD2-CD1 3.51Å; L28-I218 HydrophobicContact CG-CD1 4.09Å; L32-I218 HydrophobicContact CD2-CG2 4.4Å; F136-I218 HydrophobicContact CD2-CG1 4.23Å; F136-I218 HydrophobicContact CE2-CG1 4.24Å; F138-I218 HydrophobicContact CE2-CD1 3.79Å; F138-I218 HydrophobicContact CE2-CG1 3.93Å; F138-I218 HydrophobicContact CZ-CD1 4.07Å; F138-I218 HydrophobicContact CZ-CG1 3.8Å; I214-I218 HydrophobicContact CG2-CD1 3.72Å; I214-I218 WeakPolarHBondContact O-CG1 3.26Å; I214-I218 PolarHBondContact O-N 3Å; I214-I218 VanDerWaalsContact O-N 3.1Å; M215-I218 PolarHBondContact O-N 3.43Å; M215-I218 VanDerWaalsContact O-N 3.07Å; I218-S220 PolarHBondContact O-N 3.26Å; I218-K221 PolarHBondContact O-N 3.33Å; I218-L222 HydrophobicContact CG2-CD1 3.88Å; I218-L222 HydrophobicContact CG2-CG 3.94Å; I218-L222 PolarHBondContact O-N 2.79Å
219	D	86.7	Confident	89.8	Confident	92 Å²	92	51.7 Å²	51.7	49%	0.492	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-22	177.9	-76.1	-14.2	0	0	0	112.7	M215 K221	M215-D219 WeakPolarHBondContact O-CB 3.47Å; M215-D219 PolarHBondContact O-N 2.97Å; D219-K221 PolarHBondContact O-N 3.2Å
220	S	75.3	Confident	89.3	Confident	82 Å²	82	47.7 Å²	47.7	57%	0.573	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.5	172.4	69.3	0	0	0	0	114.4	I217 I218	I217-S220 WeakPolarHBondContact O-CB 3.45Å; I217-S220 PolarHBondContact O-N 3.29Å; I217-S220 PolarHBondContact O-OG 3.11Å; I218-S220 PolarHBondContact O-N 3.26Å
221	K	76	Confident	88.8	Confident	59 Å²	59	51 Å²	51	26%	0.257	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-6.4	-177.1	-79.2	-161.2	-174.1	173.7	0	114.6	K6 L9 D135 F136 P194 I218 D219	K6-K221 PolarHBondContact NZ-O 2.76Å; L9-K221 HydrophobicContact CD2-CB 4.18Å; D135-K221 PolarHBondContact O-NZ 3.07Å; D135-K221 IonicContact OD1-NZ 3.54Å; F136-K221 HydrophobicContact CE1-CD 4.35Å; F136-K221 HydrophobicContact CE2-CB 3.98Å; F136-K221 HydrophobicContact CE2-CD 3.66Å; F136-K221 HydrophobicContact CE2-CG 4.07Å; F136-K221 HydrophobicContact CZ-CB 3.89Å; F136-K221 HydrophobicContact CZ-CD 3.47Å; F136-K221 VanDerWaalsContact CZ-CD 3.47Å; F136-K221 HydrophobicContact CZ-CG 3.62Å; P194-K221 VanDerWaalsContact CG-CE 3.45Å; I218-K221 PolarHBondContact O-N 3.33Å; D219-K221 PolarHBondContact O-N 3.2Å
222	L	72.5	Confident	88.1	Confident	92 Å²	92	53 Å²	53	48%	0.482	32%	0.316	S	S	.	.			trans	-73.6	0	176.3	-75.1	170.2	0	0	0	110.2	K6 L9 L32 I35 I218	K6-L222 PolarHBondContact NZ-O 3.35Å; L9-L222 HydrophobicContact CD1-CD2 3.58Å; L9-L222 HydrophobicContact CD1-CG 4.06Å; L9-L222 HydrophobicContact CG-CD2 4.48Å; L32-L222 HydrophobicContact CD2-CD1 4.47Å; L32-L222 HydrophobicContact CD2-CD2 3.92Å; I35-L222 HydrophobicContact CD1-CD1 3.93Å; I35-L222 HydrophobicContact CG2-CD1 4.27Å; I35-L222 HydrophobicContact CG2-CD2 4.4Å; I218-L222 HydrophobicContact CG2-CD1 3.88Å; I218-L222 HydrophobicContact CG2-CG 3.94Å; I218-L222 PolarHBondContact O-N 2.79Å

Retrieved 222 of 222 residues in 193.2 ms (Link to these results)

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