A0A096MT90_PAPAN Loading...

Thymidylate kinase

Catalyzes the phosphorylation of thymidine monophosphate (dTMP) to thymidine diphosphate (dTDP), the immediate precursor for the DNA building block dTTP, with ATP as the preferred phosphoryl donor in the presence of Mg(2+).

AlphaFold DB , UniProt , Accession A0A096MT90, Species PAPAN (Papio anubis, Olive baboon), Gene DTYMK, Length 212 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	42.7	Very low	85.5	Confident	241 Å²	241	59.4 Å²	59.4	100%	1.187	33%	0.328	S	S	*	.				0	129.7	0	-72.2	-162.8	-100	0	0	107.3	A3	M1-A3 PolarHBondContact O-N 3.46Å
2	A	53.4	Low	86.5	Confident	99 Å²	99	54.4 Å²	54.4	82%	0.818	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-56.4	130.4	175.5	0	0	0	0	0	108.9	R4	A2-R4 PolarHBondContact O-N 3.49Å
3	A	65.1	Low	87.1	Confident	89 Å²	89	50.2 Å²	50.2	74%	0.736	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-60.1	123.1	176.7	0	0	0	0	0	108.6	M1 R5	M1-A3 PolarHBondContact O-N 3.46Å; A3-R5 PolarHBondContact O-N 3.23Å
4	R	90.1	Very high	87.2	Confident	190 Å²	190	46.9 Å²	46.9	72%	0.717	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-73.3	117.8	178.5	-73.8	-178.4	158.9	170.5	-4.8	108.7	A2 G90 T203	A2-R4 PolarHBondContact O-N 3.49Å; R4-G90 VanDerWaalsContact O-CA 3.29Å; R4-G90 WeakPolarHBondContact O-CA 3.43Å; R4-T203 HydrophobicContact CB-CG2 3.91Å; R4-T203 HydrophobicContact CG-CG2 4.17Å
5	R	96.8	Very high	86.9	Confident	31 Å²	31	45.1 Å²	45.1	12%	0.117	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-70.6	157.9	175.9	69.9	168.8	-175.5	92.8	-5.4	111.7	A3 L87 D128 A202 K205	A3-R5 PolarHBondContact O-N 3.23Å; R5-L87 CarbonylContact C-O 3.6Å; R5-L87 WeakPolarHBondContact CA-O 3.44Å; R5-L87 VanDerWaalsContact CB-O 3.23Å; R5-L87 WeakPolarHBondContact CB-O 3.4Å; R5-D128 IonicContact CZ-OD1 2.75Å; R5-D128 IonicContact CZ-OD2 3.59Å; R5-D128 IonicContact NH1-OD1 2.93Å; R5-D128 PolarHBondContact NH1-OD1 3.49Å; R5-D128 IonicContact NH1-OD2 3.39Å; R5-D128 PolarHBondContact NH1-OD2 3.16Å; R5-D128 IonicContact NH2-OD1 3.31Å; R5-D128 PolarHBondContact NH2-OD1 2.85Å; R5-D128 IonicContact NH2-OD2 3.92Å; R5-A202 PolarHBondContact NE-O 2.91Å; R5-A202 VanDerWaalsContact NE-O 3.09Å; R5-A202 PolarHBondContact NH2-O 3.18Å; R5-K205 PolarHBondContact NE-O 2.91Å; R5-K205 PolarHBondContact NH2-O 2.75Å; R5-K205 VanDerWaalsContact NH2-O 3.11Å
6	G	98.2	Very high	86.7	Confident	3 Å²	3	45.9 Å²	45.9	3%	0.031	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-74.6	167.5	166.9	0	0	0	0	0	112.1	L87	G6-L87 PolarHBondContact N-O 3.46Å; G6-L87 WeakPolarHBondContact O-CD2 3.32Å
7	A	98.6	Very high	86.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-89.9	147.9	172.6	0	0	0	0	0	111.5	I9 L87 T92 L93 D128 I199 A202	A7-I9 HydrophobicContact CB-CD1 4.34Å; A7-I9 HydrophobicContact CB-CG1 4.08Å; A7-L87 VanDerWaalsContact C-CD2 3.49Å; A7-L87 WeakPolarHBondContact O-CD2 3.34Å; A7-T92 HydrophobicContact CB-CG2 4.23Å; A7-T92 PolarHBondContact N-OG1 3.02Å; A7-T92 VanDerWaalsContact N-OG1 3.16Å; A7-T92 CarbonylContact O-C 3.44Å; A7-T92 VanDerWaalsContact O-CA 3.31Å; A7-T92 WeakPolarHBondContact O-CA 3.33Å; A7-T92 WeakPolarHBondContact O-CG2 3.24Å; A7-L93 PolarHBondContact O-N 3.24Å; A7-D128 WeakPolarHBondContact CA-OD2 3.48Å; A7-D128 HydrophobicContact CB-CB 4.4Å; A7-I199 HydrophobicContact CB-CG1 3.99Å; A7-A202 HydrophobicContact CB-CB 3.69Å
8	L	98.9	Very high	87.1	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	106.6	167.4	-178.9	61.8	0	0	0	109	I83 L87 L93 V95 P125 P127 D128 L129	L8-I83 HydrophobicContact CD1-CG2 4.45Å; L8-L87 HydrophobicContact CB-CD1 4.1Å; L8-L87 HydrophobicContact CB-CD2 4.2Å; L8-L93 HydrophobicContact CD1-CB 3.95Å; L8-L93 HydrophobicContact CD1-CD1 4.47Å; L8-V95 HydrophobicContact CD1-CG2 3.57Å; L8-P125 HydrophobicContact CD2-CB 3.7Å; L8-P125 WeakPolarHBondContact CD2-O 3.47Å; L8-P127 HydrophobicContact CD2-CG 4.41Å; L8-P127 HydrophobicContact CG-CB 4.46Å; L8-P127 CarbonylContact O-C 3.56Å; L8-P127 WeakPolarHBondContact O-CA 3.23Å; L8-D128 PolarHBondContact N-OD2 3.46Å; L8-D128 PolarHBondContact O-N 3.01Å; L8-L129 PolarHBondContact O-N 3.38Å
9	I	98.9	Very high	87.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.3	-176.3	-57.5	178.8	0	0	0	108.8	A7 L11 T92 L93 I94 V95 L129 L131 A198 I199	A7-I9 HydrophobicContact CB-CD1 4.34Å; A7-I9 HydrophobicContact CB-CG1 4.08Å; I9-L11 HydrophobicContact CG2-CD1 4.41Å; I9-T92 HydrophobicContact CD1-CG2 4.12Å; I9-T92 HydrophobicContact CG1-CG2 4.49Å; I9-L93 PolarHBondContact N-O 3.42Å; I9-I94 HydrophobicContact CB-CD1 3.81Å; I9-I94 HydrophobicContact CD1-CD1 3.9Å; I9-I94 HydrophobicContact CG1-CD1 4.26Å; I9-I94 HydrophobicContact CG2-CD1 4.3Å; I9-I94 CarbonylContact O-C 3.54Å; I9-I94 WeakPolarHBondContact O-CA 3.33Å; I9-V95 PolarHBondContact O-N 3.4Å; I9-L129 HydrophobicContact CG1-CB 4.35Å; I9-L129 HydrophobicContact CG2-CB 4.36Å; I9-L129 HydrophobicContact CG2-CD2 4.01Å; I9-L129 HydrophobicContact CG2-CG 4.28Å; I9-L131 HydrophobicContact CG2-CD1 3.98Å; I9-A198 HydrophobicContact CD1-CB 4.42Å; I9-I199 HydrophobicContact CD1-CG1 4.18Å
10	V	98.9	Very high	87.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.6	-178.9	176.2	0	0	0	0	110.1	E12 V95 Y98 F100 P127 L129 I130 L131	V10-E12 HydrophobicContact CG1-CG 3.92Å; V10-V95 WeakPolarHBondContact CA-O 3.08Å; V10-V95 HydrophobicContact CG2-CB 4.18Å; V10-Y98 HydrophobicContact CG2-CD1 4.27Å; V10-Y98 HydrophobicContact CG2-CG 4.09Å; V10-F100 HydrophobicContact CG1-CD2 4.25Å; V10-F100 HydrophobicContact CG1-CE2 4.27Å; V10-P127 HydrophobicContact CB-CB 4.39Å; V10-P127 HydrophobicContact CB-CG 4.35Å; V10-P127 HydrophobicContact CG2-CB 3.79Å; V10-P127 HydrophobicContact CG2-CG 3.5Å; V10-L129 PolarHBondContact N-O 3.06Å; V10-I130 HydrophobicContact CB-CG2 4.36Å; V10-I130 HydrophobicContact CG1-CG2 4.36Å; V10-I130 CarbonylContact O-C 3.6Å; V10-I130 WeakPolarHBondContact O-CA 3.43Å; V10-L131 PolarHBondContact O-N 2.58Å
11	L	98.8	Very high	88.4	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.4	169.1	-71.5	83.3	0	0	0	109.4	I9 Q22 I94 V95 R97 L131 L133 I191	I9-L11 HydrophobicContact CG2-CD1 4.41Å; L11-Q22 HydrophobicContact CD2-CB 3.84Å; L11-I94 HydrophobicContact CD1-CG2 3.56Å; L11-V95 PolarHBondContact N-O 2.85Å; L11-R97 PolarHBondContact O-N 3.06Å; L11-L131 WeakPolarHBondContact CA-O 3.38Å; L11-L131 HydrophobicContact CD1-CD1 4.4Å; L11-L131 HydrophobicContact CG-CB 4.31Å; L11-L131 HydrophobicContact CG-CD1 4.22Å; L11-L133 HydrophobicContact CD2-CD1 4.23Å; L11-I191 HydrophobicContact CD2-CD1 4.25Å
12	E	98.3	Very high	91	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	167.9	174.1	-74.2	-67	180	0	0	111	V10 Y98 F100 S101 I130 L131 F132 L133 F164 W175	V10-E12 HydrophobicContact CG1-CG 3.92Å; E12-Y98 PolarHBondContact OE1-N 3.35Å; E12-F100 HydrophobicContact CG-CB 3.94Å; E12-F100 HydrophobicContact CG-CD2 3.77Å; E12-F100 HydrophobicContact CG-CG 4.28Å; E12-S101 PolarHBondContact OE1-N 3.47Å; E12-S101 PolarHBondContact OE2-OG 3.02Å; E12-I130 HydrophobicContact CB-CG2 4.48Å; E12-I130 HydrophobicContact CG-CG2 4.2Å; E12-L131 PolarHBondContact N-O 3.33Å; E12-F132 HydrophobicContact CB-CD2 3.99Å; E12-F132 WeakPolarHBondContact O-CA 3.49Å; E12-L133 PolarHBondContact O-N 2.8Å; E12-F164 HydrophobicContact CB-CE1 4.17Å; E12-F164 HydrophobicContact CG-CE1 4.23Å; E12-W175 HydrophobicContact CB-CZ3 4.35Å
13	G	93.9	Very high	93.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.5	168	-178.4	0	0	0	0	0	112.1	K19	G13-K19 PolarHBondContact O-NZ 2.62Å
14	M	87.9	Confident	94.7	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.02	12%	0.121	C	C	.	.	S	Bend	trans	-65.5	166	179.9	-56.5	-48.6	-65.1	0	0	111.9	R16 A17 K19 Q157 A160 L161 F164	M14-R16 PolarHBondContact O-N 3.35Å; M14-A17 VanDerWaalsContact O-CB 3.23Å; M14-A17 WeakPolarHBondContact O-CB 3.35Å; M14-A17 PolarHBondContact O-N 3.36Å; M14-K19 PolarHBondContact O-NZ 2.72Å; M14-Q157 HydrophobicContact CE-CB 3.58Å; M14-Q157 HydrophobicContact CE-CG 4.3Å; M14-Q157 WeakPolarHBondContact CE-O 3.27Å; M14-Q157 VanDerWaalsContact CE-OE1 3.23Å; M14-A160 HydrophobicContact CE-CB 4.36Å; M14-L161 HydrophobicContact CE-CB 4.03Å; M14-L161 HydrophobicContact CG-CD1 4.05Å; M14-L161 HydrophobicContact SD-CB 3.75Å; M14-L161 HydrophobicContact SD-CD1 3.85Å; M14-L161 HydrophobicContact SD-CG 4.34Å; M14-F164 HydrophobicContact SD-CD2 4.05Å; M14-F164 HydrophobicContact SD-CE2 4.25Å
15	D	84.1	Confident	95.1	Very high	20 Å²	20	19.7 Å²	19.7	11%	0.107	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	140.6	173	-67.8	-13.2	0	0	0	110.2	A17 R97 Q157	D15-A17 PolarHBondContact O-N 3.31Å; D15-A17 VanDerWaalsContact O-N 3.16Å; D15-R97 IonicContact OD1-CZ 2.74Å; D15-R97 IonicContact OD1-NH2 2.83Å; D15-R97 PolarHBondContact OD1-NH2 3.48Å; D15-Q157 PolarHBondContact OD2-NE2 3.16Å
16	R	83.5	Confident	95.2	Very high	58 Å²	58	18.2 Å²	18.2	22%	0.219	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	9.1	-176	-53.3	-173.1	174.2	122.4	19.1	117.4	M14 G18 A140 R143 G144 A145 Y146 G147 E152	M14-R16 PolarHBondContact O-N 3.35Å; R16-G18 PolarHBondContact O-N 3.16Å; R16-G18 VanDerWaalsContact O-N 3.14Å; R16-A140 WeakPolarHBondContact CD-O 3.47Å; R16-R143 HydrophobicContact CB-CB 4.31Å; R16-R143 WeakPolarHBondContact O-CD 3.4Å; R16-R143 PolarHBondContact O-NH1 2.85Å; R16-G144 PolarHBondContact NH1-O 3.48Å; R16-A145 VanDerWaalsContact CZ-C 3.49Å; R16-A145 PolarHBondContact NH1-O 3.4Å; R16-A145 VanDerWaalsContact NH2-C 3.3Å; R16-A145 PolarHBondContact NH2-O 2.85Å; R16-Y146 VanDerWaalsContact NH1-CA 3.31Å; R16-G147 VanDerWaalsContact NH2-N 3.18Å; R16-E152 IonicContact NH2-OE1 2.87Å
17	A	88.1	Confident	95.2	Very high	2 Å²	2	19.1 Å²	19.1	2%	0.017	10%	0.097	C	C	.	.	S	Bend	trans	-61.5	-20.1	170.8	0	0	0	0	0	113.1	M14 D15 L133 L135 R143 A180	M14-A17 VanDerWaalsContact O-CB 3.23Å; M14-A17 WeakPolarHBondContact O-CB 3.35Å; M14-A17 PolarHBondContact O-N 3.36Å; D15-A17 PolarHBondContact O-N 3.31Å; D15-A17 VanDerWaalsContact O-N 3.16Å; A17-L133 HydrophobicContact CB-CB 3.82Å; A17-L133 WeakPolarHBondContact CB-O 3.41Å; A17-L135 HydrophobicContact CB-CB 4.47Å; A17-R143 PolarHBondContact O-NH1 3.1Å; A17-A180 WeakPolarHBondContact O-CB 3.29Å
18	G	92.4	Very high	95.2	Very high	19 Å²	19	25.2 Å²	25.2	20%	0.196	13%	0.125	C	C	.	.	S	Bend	trans	107.6	7.4	177.1	0	0	0	0	0	114.6	R16 S20 T21 Q22	R16-G18 PolarHBondContact O-N 3.16Å; R16-G18 VanDerWaalsContact O-N 3.14Å; G18-S20 PolarHBondContact O-N 3.11Å; G18-T21 WeakPolarHBondContact O-CB 3.4Å; G18-T21 PolarHBondContact O-N 2.61Å; G18-Q22 WeakPolarHBondContact O-CG 3.35Å; G18-Q22 PolarHBondContact O-N 2.94Å
19	K	95.6	Very high	95.2	Very high	9 Å²	9	27.7 Å²	27.7	4%	0.039	14%	0.141	C	C	.	.	H	α-helix	trans	-45	-54.3	-177.4	-57.4	-177.6	-66.6	-78.9	0	113.6	G13 M14 T21 Q22 S23 D96 R97 L133	G13-K19 PolarHBondContact O-NZ 2.62Å; M14-K19 PolarHBondContact O-NZ 2.72Å; K19-T21 VanDerWaalsContact C-N 3.33Å; K19-T21 PolarHBondContact O-N 3.2Å; K19-Q22 PolarHBondContact O-N 3.23Å; K19-S23 WeakPolarHBondContact O-CB 3.41Å; K19-S23 PolarHBondContact O-N 3.25Å; K19-S23 PolarHBondContact O-OG 3.05Å; K19-D96 WeakPolarHBondContact CB-OD1 3.34Å; K19-R97 HydrophobicContact CD-CG 4.35Å; K19-R97 VanDerWaalsContact NZ-CZ 3.32Å; K19-L133 HydrophobicContact CG-CD2 4.41Å
20	S	95.1	Very high	95.1	Very high	41 Å²	41	27.7 Å²	27.7	29%	0.287	14%	0.141	S	C	.	.	H	α-helix	trans	-64.7	-36.2	-177.6	-53.6	0	0	0	0	113.4	G18 R24 R41 D96	G18-S20 PolarHBondContact O-N 3.11Å; S20-R24 WeakPolarHBondContact O-CG 3.19Å; S20-R24 PolarHBondContact O-N 2.83Å; S20-R24 PolarHBondContact O-NH1 2.7Å; S20-R41 PolarHBondContact OG-NH2 2.74Å; S20-R41 VanDerWaalsContact OG-NH2 3.12Å; S20-D96 VanDerWaalsContact CA-OD2 3.23Å; S20-D96 WeakPolarHBondContact CA-OD2 3.27Å; S20-D96 VanDerWaalsContact CB-OD2 3.31Å; S20-D96 WeakPolarHBondContact CB-OD2 3.26Å; S20-D96 PolarHBondContact OG-OD2 3.33Å
21	T	96.6	Very high	95.1	Very high	54 Å²	54	30.5 Å²	30.5	33%	0.331	16%	0.16	S	C	.	.	H	α-helix	trans	-68.2	-49.3	176.2	-61	0	0	0	0	110	G18 K19 S23 R24 K25 I184	G18-T21 WeakPolarHBondContact O-CB 3.4Å; G18-T21 PolarHBondContact O-N 2.61Å; K19-T21 VanDerWaalsContact C-N 3.33Å; K19-T21 PolarHBondContact O-N 3.2Å; T21-S23 PolarHBondContact O-N 3.22Å; T21-R24 PolarHBondContact O-N 2.95Å; T21-K25 HydrophobicContact CG2-CD 4.11Å; T21-K25 WeakPolarHBondContact O-CG 3.45Å; T21-K25 PolarHBondContact O-N 3.39Å; T21-K25 VanDerWaalsContact O-N 3.09Å; T21-I184 HydrophobicContact CG2-CG2 4.09Å
22	Q	98.3	Very high	95	Very high	7 Å²	7	34.9 Å²	34.9	3%	0.033	20%	0.196	C	C	.	.	H	α-helix	trans	-67.3	-37.7	-178.3	-63.6	-58.8	-10.2	0	0	112.4	L11 G18 K19 R24 K25 L26 L133 I184 V187 H188 I191	L11-Q22 HydrophobicContact CD2-CB 3.84Å; G18-Q22 WeakPolarHBondContact O-CG 3.35Å; G18-Q22 PolarHBondContact O-N 2.94Å; K19-Q22 PolarHBondContact O-N 3.23Å; Q22-R24 PolarHBondContact O-N 3.17Å; Q22-K25 PolarHBondContact O-N 3.09Å; Q22-L26 WeakPolarHBondContact O-CB 3.24Å; Q22-L26 PolarHBondContact O-N 3.37Å; Q22-L133 HydrophobicContact CB-CD2 4.41Å; Q22-L133 HydrophobicContact CG-CD2 4.02Å; Q22-I184 PolarHBondContact NE2-O 3.22Å; Q22-V187 HydrophobicContact CG-CG1 3.96Å; Q22-H188 VanDerWaalsContact OE1-CA 3.3Å; Q22-H188 VanDerWaalsContact OE1-CB 3.27Å; Q22-I191 HydrophobicContact CB-CD1 3.64Å; Q22-I191 HydrophobicContact CG-CD1 3.72Å
23	S	98.3	Very high	94.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-43.4	177.4	-53.9	0	0	0	0	111.8	K19 T21 V27	K19-S23 WeakPolarHBondContact O-CB 3.41Å; K19-S23 PolarHBondContact O-N 3.25Å; K19-S23 PolarHBondContact O-OG 3.05Å; T21-S23 PolarHBondContact O-N 3.22Å; S23-V27 WeakPolarHBondContact O-CG2 3.44Å; S23-V27 PolarHBondContact O-N 3.14Å; S23-V27 VanDerWaalsContact O-N 3.16Å
24	R	98.4	Very high	94.9	Very high	111 Å²	111	41 Å²	41	42%	0.419	25%	0.253	S	S	.	.	H	α-helix	trans	-65	-50.2	176.3	-74.5	-171.8	-60.8	-92.8	-1.1	111.8	S20 T21 Q22 L26 V27 E28 L39	S20-R24 WeakPolarHBondContact O-CG 3.19Å; S20-R24 PolarHBondContact O-N 2.83Å; S20-R24 PolarHBondContact O-NH1 2.7Å; T21-R24 PolarHBondContact O-N 2.95Å; Q22-R24 PolarHBondContact O-N 3.17Å; R24-L26 VanDerWaalsContact C-N 3.26Å; R24-L26 PolarHBondContact O-N 3.46Å; R24-V27 PolarHBondContact O-N 3.37Å; R24-E28 WeakPolarHBondContact O-CG 3.37Å; R24-E28 PolarHBondContact O-N 3.08Å; R24-L39 HydrophobicContact CG-CD2 3.86Å
25	K	98.3	Very high	95.3	Very high	55 Å²	55	44.1 Å²	44.1	24%	0.239	27%	0.268	C	S	.	.	H	α-helix	trans	-59.8	-38.3	179.2	-70.7	179.7	65.2	69.9	0	111.9	T21 Q22 E28 T29 I184 H188	T21-K25 HydrophobicContact CG2-CD 4.11Å; T21-K25 WeakPolarHBondContact O-CG 3.45Å; T21-K25 PolarHBondContact O-N 3.39Å; T21-K25 VanDerWaalsContact O-N 3.09Å; Q22-K25 PolarHBondContact O-N 3.09Å; K25-E28 PolarHBondContact O-N 3.5Å; K25-T29 WeakPolarHBondContact O-CB 3.3Å; K25-T29 PolarHBondContact O-N 2.91Å; K25-T29 PolarHBondContact O-OG1 2.9Å; K25-I184 HydrophobicContact CD-CG2 3.78Å; K25-H188 WeakPolarHBondContact CB-ND1 3.47Å; K25-H188 PolarHBondContact O-CE1 3.01Å; K25-H188 VanDerWaalsContact O-CE1 3.28Å
26	L	98.5	Very high	95.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.1	-46.7	177.9	-179.2	59.9	0	0	0	111.3	Q22 R24 E28 T29 L30 I94 I191 S195	Q22-L26 WeakPolarHBondContact O-CB 3.24Å; Q22-L26 PolarHBondContact O-N 3.37Å; R24-L26 VanDerWaalsContact C-N 3.26Å; R24-L26 PolarHBondContact O-N 3.46Å; L26-E28 PolarHBondContact O-N 3.49Å; L26-T29 PolarHBondContact O-N 2.84Å; L26-L30 HydrophobicContact CD1-CD1 3.87Å; L26-L30 HydrophobicContact CD1-CD2 4.46Å; L26-L30 HydrophobicContact CD1-CG 3.89Å; L26-L30 HydrophobicContact CG-CD1 3.87Å; L26-L30 HydrophobicContact CG-CG 4.31Å; L26-L30 WeakPolarHBondContact O-CB 3.1Å; L26-L30 VanDerWaalsContact O-CG 3.24Å; L26-L30 WeakPolarHBondContact O-CG 3.29Å; L26-L30 PolarHBondContact O-N 2.92Å; L26-I94 HydrophobicContact CD2-CD1 3.61Å; L26-I94 HydrophobicContact CD2-CG1 4.06Å; L26-I94 HydrophobicContact CD2-CG2 3.94Å; L26-I94 HydrophobicContact CG-CD1 4.09Å; L26-I94 HydrophobicContact CG-CG1 4.21Å; L26-I191 HydrophobicContact CB-CG2 4.45Å; L26-I191 HydrophobicContact CD1-CG2 4.16Å; L26-I191 HydrophobicContact CD2-CG2 3.75Å; L26-I191 HydrophobicContact CG-CG2 4.34Å; L26-S195 WeakPolarHBondContact CD2-OG 3.49Å
27	V	98.6	Very high	96.6	Very high	22 Å²	22	47.6 Å²	47.6	13%	0.133	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-47.9	175	171.7	0	0	0	0	111.1	S23 R24 T29 L30 C31 A37 L39 I94	S23-V27 WeakPolarHBondContact O-CG2 3.44Å; S23-V27 PolarHBondContact O-N 3.14Å; S23-V27 VanDerWaalsContact O-N 3.16Å; R24-V27 PolarHBondContact O-N 3.37Å; V27-T29 VanDerWaalsContact C-N 3.33Å; V27-T29 PolarHBondContact O-N 2.88Å; V27-L30 PolarHBondContact O-N 3.06Å; V27-C31 WeakPolarHBondContact O-CB 3.33Å; V27-C31 PolarHBondContact O-N 2.7Å; V27-C31 PolarHBondContact O-SG 3.27Å; V27-A37 HydrophobicContact CG1-CB 4.43Å; V27-L39 HydrophobicContact CG2-CB 4.08Å; V27-I94 HydrophobicContact CG2-CB 3.67Å; V27-I94 HydrophobicContact CG2-CG1 3.51Å; V27-I94 HydrophobicContact CG2-CG2 4.36Å
28	E	98.4	Very high	97.1	Very high	127 Å²	127	50.8 Å²	50.8	59%	0.593	30%	0.296	S	S	*	.	H	α-helix	trans	-57.7	-45.4	178.2	-71.6	167.2	-168.9	0	0	112	R24 K25 L26 C31 A32	R24-E28 WeakPolarHBondContact O-CG 3.37Å; R24-E28 PolarHBondContact O-N 3.08Å; K25-E28 PolarHBondContact O-N 3.5Å; L26-E28 PolarHBondContact O-N 3.49Å; E28-C31 PolarHBondContact O-N 3.4Å; E28-A32 WeakPolarHBondContact O-CB 3.44Å; E28-A32 PolarHBondContact O-N 3.29Å
29	T	98.1	Very high	97.4	Very high	52 Å²	52	52.9 Å²	52.9	32%	0.319	30%	0.302	S	S	.	.	H	α-helix	trans	-68.4	-44.7	-178.3	-60.4	0	0	0	0	111.7	K25 L26 V27 C31 A32 A33 H188	K25-T29 WeakPolarHBondContact O-CB 3.3Å; K25-T29 PolarHBondContact O-N 2.91Å; K25-T29 PolarHBondContact O-OG1 2.9Å; L26-T29 PolarHBondContact O-N 2.84Å; V27-T29 VanDerWaalsContact C-N 3.33Å; V27-T29 PolarHBondContact O-N 2.88Å; T29-C31 VanDerWaalsContact C-N 3.34Å; T29-C31 PolarHBondContact O-N 3.31Å; T29-A32 PolarHBondContact O-N 3.33Å; T29-A33 WeakPolarHBondContact O-CB 3.23Å; T29-A33 PolarHBondContact O-N 3.47Å; T29-H188 PolarHBondContact OG1-CE1 3.12Å; T29-H188 VanDerWaalsContact OG1-CE1 3.29Å; T29-H188 PolarHBondContact OG1-NE2 3.37Å
30	L	97.6	Very high	97.6	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-62.3	-43	176.9	-72.1	175.6	0	0	0	111.3	L26 V27 A33 G34 H35 A37 I94 E196 I199	L26-L30 HydrophobicContact CD1-CD1 3.87Å; L26-L30 HydrophobicContact CD1-CD2 4.46Å; L26-L30 HydrophobicContact CD1-CG 3.89Å; L26-L30 HydrophobicContact CG-CD1 3.87Å; L26-L30 HydrophobicContact CG-CG 4.31Å; L26-L30 WeakPolarHBondContact O-CB 3.1Å; L26-L30 VanDerWaalsContact O-CG 3.24Å; L26-L30 WeakPolarHBondContact O-CG 3.29Å; L26-L30 PolarHBondContact O-N 2.92Å; V27-L30 PolarHBondContact O-N 3.06Å; L30-A33 CarbonylContact O-C 3.57Å; L30-A33 PolarHBondContact O-N 2.95Å; L30-G34 PolarHBondContact O-N 2.74Å; L30-H35 HydrophobicContact CB-CB 4.18Å; L30-H35 WeakPolarHBondContact O-CB 3.48Å; L30-H35 PolarHBondContact O-N 2.84Å; L30-A37 HydrophobicContact CB-CB 3.89Å; L30-A37 HydrophobicContact CD1-CB 4.07Å; L30-I94 HydrophobicContact CD1-CD1 3.94Å; L30-I94 HydrophobicContact CD1-CG1 4.34Å; L30-E196 HydrophobicContact CD2-CG 4.5Å; L30-I199 HydrophobicContact CD1-CD1 3.9Å; L30-I199 HydrophobicContact CD2-CD1 3.63Å; L30-I199 HydrophobicContact CG-CD1 4.41Å
31	C	97.9	Very high	97.7	Very high	59 Å²	59	56 Å²	56	40%	0.399	31%	0.309	S	S	.	.	H	α-helix	trans	-63.8	-41.9	175.6	-72.8	0	0	0	0	112.2	V27 E28 T29 A33 G34 H35 A37	V27-C31 WeakPolarHBondContact O-CB 3.33Å; V27-C31 PolarHBondContact O-N 2.7Å; V27-C31 PolarHBondContact O-SG 3.27Å; E28-C31 PolarHBondContact O-N 3.4Å; T29-C31 VanDerWaalsContact C-N 3.34Å; T29-C31 PolarHBondContact O-N 3.31Å; C31-A33 VanDerWaalsContact C-N 3.26Å; C31-A33 PolarHBondContact O-N 3.07Å; C31-G34 PolarHBondContact O-N 2.83Å; C31-H35 WeakPolarHBondContact CA-O 3.32Å; C31-A37 PolarHBondContact SG-O 2.92Å
32	A	97.6	Very high	97.8	Very high	91 Å²	91	53.8 Å²	53.8	75%	0.752	30%	0.295	S	S	*	.	H	α-helix	trans	-64.1	-30.9	175.2	0	0	0	0	0	112.7	E28 T29 G34	E28-A32 WeakPolarHBondContact O-CB 3.44Å; E28-A32 PolarHBondContact O-N 3.29Å; T29-A32 PolarHBondContact O-N 3.33Å; A32-G34 PolarHBondContact O-N 3.2Å
33	A	95.4	Very high	97.8	Very high	62 Å²	62	54.2 Å²	54.2	51%	0.512	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	3	173.1	0	0	0	0	0	113.8	T29 L30 C31	T29-A33 WeakPolarHBondContact O-CB 3.23Å; T29-A33 PolarHBondContact O-N 3.47Å; L30-A33 CarbonylContact O-C 3.57Å; L30-A33 PolarHBondContact O-N 2.95Å; C31-A33 VanDerWaalsContact C-N 3.26Å; C31-A33 PolarHBondContact O-N 3.07Å
34	G	94.9	Very high	97.8	Very high	68 Å²	68	56.5 Å²	56.5	70%	0.701	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	5.7	176.3	0	0	0	0	0	115.3	L30 C31 A32	L30-G34 PolarHBondContact O-N 2.74Å; C31-G34 PolarHBondContact O-N 2.83Å; A32-G34 PolarHBondContact O-N 3.2Å
35	H	95.4	Very high	97.7	Very high	69 Å²	69	55.3 Å²	55.3	32%	0.319	30%	0.304	S	S	.	.			trans	-77.9	151.2	171	-61.2	-76.8	0	0	0	111.1	L30 C31	L30-H35 HydrophobicContact CB-CB 4.18Å; L30-H35 WeakPolarHBondContact O-CB 3.48Å; L30-H35 PolarHBondContact O-N 2.84Å; C31-H35 WeakPolarHBondContact CA-O 3.32Å
36	R	97.7	Very high	97.7	Very high	140 Å²	140	56.6 Å²	56.6	53%	0.528	32%	0.32	S	S	.	.			trans	-88.4	107.3	167.1	-66.8	172.2	64.8	-153.1	-3	107.9	Q89 V91 T92	R36-Q89 PolarHBondContact NH1-O 3Å; R36-V91 HydrophobicContact CB-CG2 4.28Å; R36-V91 CarbonylContact O-C 3.59Å; R36-V91 WeakPolarHBondContact O-CA 3.37Å; R36-T92 PolarHBondContact O-N 2.81Å
37	A	98.4	Very high	97.7	Very high	10 Å²	10	58.2 Å²	58.2	8%	0.083	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141	178.8	0	0	0	0	0	111.3	V27 L30 C31 T92	V27-A37 HydrophobicContact CG1-CB 4.43Å; L30-A37 HydrophobicContact CB-CB 3.89Å; L30-A37 HydrophobicContact CD1-CB 4.07Å; C31-A37 PolarHBondContact SG-O 2.92Å; A37-T92 CarbonylContact C-O 3.57Å; A37-T92 VanDerWaalsContact CA-O 3.24Å; A37-T92 WeakPolarHBondContact CA-O 3.45Å
38	E	98.7	Very high	97.7	Very high	69 Å²	69	63.5 Å²	63.5	32%	0.322	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.1	176.9	-70	177.7	-149.5	0	0	110.5	K86 V91 T92 L93 I94	E38-K86 IonicContact OE1-NZ 3.63Å; E38-K86 PolarHBondContact OE1-NZ 3.2Å; E38-K86 WeakPolarHBondContact OE2-CE 3.34Å; E38-K86 IonicContact OE2-NZ 2.7Å; E38-K86 PolarHBondContact OE2-NZ 3.43Å; E38-V91 HydrophobicContact CB-CG1 4.09Å; E38-V91 HydrophobicContact CG-CG1 3.75Å; E38-T92 PolarHBondContact N-O 2.91Å; E38-L93 HydrophobicContact CB-CD2 4.03Å; E38-I94 PolarHBondContact O-N 2.84Å
39	L	98.7	Very high	97.7	Very high	64 Å²	64	59.4 Å²	59.4	34%	0.335	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.7	178.2	-178	64.3	0	0	0	110.3	R24 V27 I94	R24-L39 HydrophobicContact CG-CD2 3.86Å; V27-L39 HydrophobicContact CG2-CB 4.08Å; L39-I94 CarbonylContact C-O 3.59Å; L39-I94 WeakPolarHBondContact CA-O 3.41Å; L39-I94 WeakPolarHBondContact CD1-O 3.33Å
40	L	98.5	Very high	97.7	Very high	21 Å²	21	56.9 Å²	56.9	11%	0.11	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	159.8	163.1	-65.3	177.7	0	0	0	109.9	L82 I83 L93 I94 V95 D96	L40-L82 HydrophobicContact CD2-CD2 4.45Å; L40-I83 HydrophobicContact CD1-CD1 4.4Å; L40-I83 HydrophobicContact CD1-CG1 3.77Å; L40-L93 HydrophobicContact CD1-CD1 3.97Å; L40-L93 HydrophobicContact CD1-CD2 4.19Å; L40-L93 HydrophobicContact CD1-CG 4.49Å; L40-L93 HydrophobicContact CG-CD2 4.42Å; L40-I94 PolarHBondContact N-O 3.44Å; L40-V95 HydrophobicContact CB-CG1 4.19Å; L40-V95 HydrophobicContact CB-CG2 4.29Å; L40-V95 WeakPolarHBondContact O-CA 3.35Å; L40-D96 PolarHBondContact O-N 3.16Å
41	R	98.3	Very high	97.7	Very high	95 Å²	95	61.9 Å²	61.9	36%	0.358	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	144.7	174.9	172.7	178.6	-71.5	156.4	5.4	110.1	S20 P43 E44 D96	S20-R41 PolarHBondContact OG-NH2 2.74Å; S20-R41 VanDerWaalsContact OG-NH2 3.12Å; R41-P43 CarbonylContact O-C 3.53Å; R41-E44 PolarHBondContact O-N 2.98Å; R41-D96 WeakPolarHBondContact CA-O 3.31Å; R41-D96 HydrophobicContact CB-CB 4.14Å; R41-D96 HydrophobicContact CG-CB 4.17Å; R41-D96 IonicContact CZ-OD2 3.57Å; R41-D96 VanDerWaalsContact CZ-OD2 3.31Å; R41-D96 IonicContact NE-OD2 3.86Å; R41-D96 PolarHBondContact NE-OD2 2.94Å; R41-D96 IonicContact NH2-OD2 2.63Å; R41-D96 PolarHBondContact NH2-OD2 3.49Å
42	F	98.4	Very high	97.8	Very high	7 Å²	7	63.6 Å²	63.6	3%	0.031	35%	0.346	C	S	.	.	S	Bend	trans	-116.6	137.1	166.9	-67.5	-74.3	0	0	0	112.5	E44 N75 R76 Q79 I83 V95 D96 R97 Y98	F42-E44 HydrophobicContact CD1-CB 4.45Å; F42-E44 HydrophobicContact CE1-CB 4.4Å; F42-N75 VanDerWaalsContact CE1-O 3.32Å; F42-N75 WeakPolarHBondContact CE1-O 3.18Å; F42-R76 HydrophobicContact CB-CG 4.44Å; F42-R76 HydrophobicContact CD1-CB 4.45Å; F42-R76 HydrophobicContact CD1-CG 3.63Å; F42-R76 HydrophobicContact CD2-CG 4.15Å; F42-R76 HydrophobicContact CE1-CB 4.23Å; F42-R76 HydrophobicContact CE1-CG 3.86Å; F42-R76 HydrophobicContact CE2-CG 4.32Å; F42-R76 HydrophobicContact CG-CG 3.78Å; F42-R76 HydrophobicContact CZ-CB 4.47Å; F42-R76 HydrophobicContact CZ-CG 4.18Å; F42-Q79 HydrophobicContact CE1-CB 4.07Å; F42-Q79 HydrophobicContact CE1-CG 3.7Å; F42-Q79 HydrophobicContact CZ-CB 3.82Å; F42-Q79 HydrophobicContact CZ-CG 3.92Å; F42-I83 HydrophobicContact CZ-CD1 4.3Å; F42-V95 HydrophobicContact CD2-CG1 3.69Å; F42-V95 HydrophobicContact CE2-CG1 3.78Å; F42-D96 PolarHBondContact N-O 2.84Å; F42-R97 WeakPolarHBondContact CD2-O 3.4Å; F42-Y98 AromaticContact CD2-CD2 3.66Å; F42-Y98 HydrophobicContact CD2-CD2 3.66Å; F42-Y98 HydrophobicContact CD2-CE2 4.15Å; F42-Y98 AromaticContact CE2-CD2 3.63Å; F42-Y98 HydrophobicContact CE2-CD2 3.63Å; F42-Y98 AromaticContact CE2-CE2 3.66Å; F42-Y98 HydrophobicContact CE2-CE2 3.66Å; F42-Y98 HydrophobicContact CZ-CE2 4.39Å
43	P	98.1	Very high	97.8	Very high	16 Å²	16	59.3 Å²	59.3	10%	0.104	31%	0.31	C	S	.	.	S	Bend	cis	-68.2	142.4	-3.3	30.9	-36.2	0	0	0	112.4	R41 R45 L53 L57 F72 N75	R41-P43 CarbonylContact O-C 3.53Å; P43-R45 HydrophobicContact CG-CG 4.17Å; P43-R45 PolarHBondContact O-N 3.27Å; P43-L53 HydrophobicContact CB-CB 4.29Å; P43-L53 HydrophobicContact CB-CD1 3.82Å; P43-L57 HydrophobicContact CG-CD1 3.99Å; P43-F72 HydrophobicContact CB-CD1 4.2Å; P43-F72 HydrophobicContact CB-CE1 3.9Å; P43-F72 HydrophobicContact CG-CE1 3.87Å; P43-N75 WeakPolarHBondContact CA-OD1 3.41Å; P43-N75 WeakPolarHBondContact CB-OD1 3.41Å
44	E	97.8	Very high	97.9	Very high	48 Å²	48	57.2 Å²	57.2	22%	0.224	29%	0.292	C	S	.	.			trans	-79.3	98.9	169.6	173.7	44.2	-105.8	0	0	107.2	R41 F42 S46 T47 G50 N75 Q79	R41-E44 PolarHBondContact O-N 2.98Å; F42-E44 HydrophobicContact CD1-CB 4.45Å; F42-E44 HydrophobicContact CE1-CB 4.4Å; E44-S46 VanDerWaalsContact C-N 3.29Å; E44-S46 PolarHBondContact O-N 3.36Å; E44-S46 VanDerWaalsContact OE1-CB 3.24Å; E44-S46 WeakPolarHBondContact OE1-CB 3.48Å; E44-S46 PolarHBondContact OE1-N 3.42Å; E44-S46 PolarHBondContact OE1-OG 2.71Å; E44-T47 HydrophobicContact CG-CG2 4.3Å; E44-G50 WeakPolarHBondContact O-CA 3.44Å; E44-N75 PolarHBondContact N-OD1 3.32Å; E44-N75 PolarHBondContact O-ND2 3.31Å; E44-Q79 HydrophobicContact CB-CG 4.43Å
45	R	97.4	Very high	98	Very high	86 Å²	86	55.7 Å²	55.7	33%	0.325	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-10	-166.2	-63.2	-175.5	-178.4	-156.7	9	113.8	P43 G50 K51 S54 E58 E149	P43-R45 HydrophobicContact CG-CG 4.17Å; P43-R45 PolarHBondContact O-N 3.27Å; R45-G50 CarbonylContact O-C 3.46Å; R45-K51 PolarHBondContact O-N 3.01Å; R45-S54 WeakPolarHBondContact CD-OG 3.41Å; R45-S54 PolarHBondContact NH1-OG 3.46Å; R45-S54 VanDerWaalsContact NH1-OG 3.07Å; R45-E58 IonicContact NH1-OE1 3.35Å; R45-E149 IonicContact CZ-OE1 2.69Å; R45-E149 IonicContact NH1-OE1 2.75Å; R45-E149 PolarHBondContact NH1-OE1 2.8Å; R45-E149 IonicContact NH2-OE1 3.29Å; R45-E149 PolarHBondContact NH2-OE1 3.5Å; R45-E149 IonicContact NH2-OE2 3.79Å
46	S	97.6	Very high	98.1	Very high	82 Å²	82	52.5 Å²	52.5	57%	0.573	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-24.7	-176.4	62.7	0	0	0	0	114.3	E44 K51	E44-S46 VanDerWaalsContact C-N 3.29Å; E44-S46 PolarHBondContact O-N 3.36Å; E44-S46 VanDerWaalsContact OE1-CB 3.24Å; E44-S46 WeakPolarHBondContact OE1-CB 3.48Å; E44-S46 PolarHBondContact OE1-N 3.42Å; E44-S46 PolarHBondContact OE1-OG 2.71Å; S46-K51 WeakPolarHBondContact O-CE 3.3Å
47	T	98.2	Very high	98	Very high	33 Å²	33	46.4 Å²	46.4	20%	0.202	23%	0.234	C	C	.	.	S	Bend	trans	-78.1	168.3	-179.7	69.2	0	0	0	0	112.1	E44 I49 G50 K51 N75 E78	E44-T47 HydrophobicContact CG-CG2 4.3Å; T47-I49 VanDerWaalsContact C-N 3.33Å; T47-I49 PolarHBondContact O-N 2.94Å; T47-G50 CarbonylContact O-C 3.56Å; T47-G50 WeakPolarHBondContact O-CA 3.42Å; T47-G50 PolarHBondContact O-N 3.16Å; T47-G50 VanDerWaalsContact O-N 3.12Å; T47-G50 PolarHBondContact OG1-N 3.09Å; T47-K51 VanDerWaalsContact O-CG 3.31Å; T47-K51 WeakPolarHBondContact O-CG 3.33Å; T47-K51 PolarHBondContact O-N 3.27Å; T47-N75 PolarHBondContact OG1-ND2 3.43Å; T47-E78 WeakPolarHBondContact CB-OE1 3.34Å; T47-E78 WeakPolarHBondContact CG2-OE1 3.41Å; T47-E78 PolarHBondContact OG1-OE1 3.42Å
48	E	98.5	Very high	97.9	Very high	134 Å²	134	49.3 Å²	49.3	63%	0.626	25%	0.246	S	C	*	.	H	α-helix	trans	-60.7	-41.8	176.8	-63	-51.8	126.4	0	0	112.1	G50 K51 L52	E48-G50 VanDerWaalsContact C-N 3.34Å; E48-K51 PolarHBondContact O-N 2.93Å; E48-K51 IonicContact OE1-NZ 3.82Å; E48-K51 PolarHBondContact OE1-NZ 3.46Å; E48-K51 IonicContact OE2-NZ 2.66Å; E48-L52 PolarHBondContact O-N 2.86Å
49	I	98.5	Very high	97.8	Very high	40 Å²	40	51.5 Å²	51.5	21%	0.205	25%	0.254	C	S	.	.	H	α-helix	trans	-63.7	-44.2	172.3	-59.3	-176.8	0	0	0	110	T47 K51 L52 L53 L71 A74 N75	T47-I49 VanDerWaalsContact C-N 3.33Å; T47-I49 PolarHBondContact O-N 2.94Å; I49-K51 VanDerWaalsContact C-N 3.3Å; I49-K51 PolarHBondContact O-N 3.09Å; I49-L52 WeakPolarHBondContact O-CB 3.47Å; I49-L52 PolarHBondContact O-N 3Å; I49-L52 VanDerWaalsContact O-N 3.16Å; I49-L53 HydrophobicContact CG2-CD1 4.06Å; I49-L53 HydrophobicContact CG2-CG 4.36Å; I49-L53 WeakPolarHBondContact O-CG 3.26Å; I49-L53 PolarHBondContact O-N 3.33Å; I49-L71 HydrophobicContact CG2-CB 4.07Å; I49-L71 HydrophobicContact CG2-CD2 4.08Å; I49-L71 VanDerWaalsContact CG2-O 3.31Å; I49-L71 WeakPolarHBondContact CG2-O 3.45Å; I49-A74 HydrophobicContact CD1-CB 3.76Å; I49-N75 HydrophobicContact CG2-CB 3.84Å
50	G	98.4	Very high	97.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-54.7	-41.8	176.4	0	0	0	0	0	114.1	E44 R45 T47 E48 L53 S54	E44-G50 WeakPolarHBondContact O-CA 3.44Å; R45-G50 CarbonylContact O-C 3.46Å; T47-G50 CarbonylContact O-C 3.56Å; T47-G50 WeakPolarHBondContact O-CA 3.42Å; T47-G50 PolarHBondContact O-N 3.16Å; T47-G50 VanDerWaalsContact O-N 3.12Å; T47-G50 PolarHBondContact OG1-N 3.09Å; E48-G50 VanDerWaalsContact C-N 3.34Å; G50-L53 PolarHBondContact O-N 2.87Å; G50-S54 PolarHBondContact O-N 3.45Å
51	K	98.4	Very high	97.6	Very high	106 Å²	106	56.7 Å²	56.7	46%	0.461	28%	0.278	S	S	.	.	H	α-helix	trans	-65.4	-42	177.2	-69.6	167.3	-169.1	170.6	0	111.8	R45 S46 T47 E48 I49 L53 S54 S55	R45-K51 PolarHBondContact O-N 3.01Å; S46-K51 WeakPolarHBondContact O-CE 3.3Å; T47-K51 VanDerWaalsContact O-CG 3.31Å; T47-K51 WeakPolarHBondContact O-CG 3.33Å; T47-K51 PolarHBondContact O-N 3.27Å; E48-K51 PolarHBondContact O-N 2.93Å; E48-K51 IonicContact OE1-NZ 3.82Å; E48-K51 PolarHBondContact OE1-NZ 3.46Å; E48-K51 IonicContact OE2-NZ 2.66Å; I49-K51 VanDerWaalsContact C-N 3.3Å; I49-K51 PolarHBondContact O-N 3.09Å; K51-L53 VanDerWaalsContact C-N 3.35Å; K51-S54 PolarHBondContact O-N 3.48Å; K51-S55 PolarHBondContact O-N 2.84Å
52	L	98.3	Very high	97.5	Very high	95 Å²	95	58.5 Å²	58.5	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-45.8	174	-64.9	174.9	0	0	0	110.9	E48 I49 S54 S55 Y56	E48-L52 PolarHBondContact O-N 2.86Å; I49-L52 WeakPolarHBondContact O-CB 3.47Å; I49-L52 PolarHBondContact O-N 3Å; I49-L52 VanDerWaalsContact O-N 3.16Å; L52-S54 PolarHBondContact O-N 2.88Å; L52-S55 PolarHBondContact O-N 2.86Å; L52-Y56 WeakPolarHBondContact O-CB 3.24Å; L52-Y56 PolarHBondContact O-N 3.16Å
53	L	98.3	Very high	97.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-40.1	177	-66.5	174.2	0	0	0	112.2	P43 I49 G50 K51 Y56 L57 V68 L71 F72 N75	P43-L53 HydrophobicContact CB-CB 4.29Å; P43-L53 HydrophobicContact CB-CD1 3.82Å; I49-L53 HydrophobicContact CG2-CD1 4.06Å; I49-L53 HydrophobicContact CG2-CG 4.36Å; I49-L53 WeakPolarHBondContact O-CG 3.26Å; I49-L53 PolarHBondContact O-N 3.33Å; G50-L53 PolarHBondContact O-N 2.87Å; K51-L53 VanDerWaalsContact C-N 3.35Å; L53-Y56 PolarHBondContact O-N 2.92Å; L53-L57 WeakPolarHBondContact O-CB 3.23Å; L53-L57 VanDerWaalsContact O-CG 3.3Å; L53-L57 WeakPolarHBondContact O-CG 3.46Å; L53-L57 PolarHBondContact O-N 3.24Å; L53-V68 HydrophobicContact CD2-CG2 3.86Å; L53-L71 HydrophobicContact CD2-CB 3.76Å; L53-L71 HydrophobicContact CG-CB 4.35Å; L53-F72 HydrophobicContact CB-CE1 4.37Å; L53-F72 HydrophobicContact CB-CZ 4.49Å; L53-F72 HydrophobicContact CD1-CD1 3.74Å; L53-F72 HydrophobicContact CD1-CE1 4.03Å; L53-F72 HydrophobicContact CD1-CG 4.17Å; L53-F72 HydrophobicContact CD2-CD1 3.97Å; L53-F72 HydrophobicContact CD2-CD2 3.69Å; L53-F72 HydrophobicContact CD2-CE1 3.99Å; L53-F72 HydrophobicContact CD2-CE2 3.7Å; L53-F72 HydrophobicContact CD2-CG 3.81Å; L53-F72 HydrophobicContact CD2-CZ 3.84Å; L53-F72 HydrophobicContact CG-CD1 4.39Å; L53-F72 HydrophobicContact CG-CE1 4.36Å; L53-N75 HydrophobicContact CD1-CB 3.74Å
54	S	97.3	Very high	97.5	Very high	18 Å²	18	64.3 Å²	64.3	13%	0.126	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-47.5	175.7	-155.3	0	0	0	0	111.1	R45 G50 K51 L52 Y56 L57 E58	R45-S54 WeakPolarHBondContact CD-OG 3.41Å; R45-S54 PolarHBondContact NH1-OG 3.46Å; R45-S54 VanDerWaalsContact NH1-OG 3.07Å; G50-S54 PolarHBondContact O-N 3.45Å; K51-S54 PolarHBondContact O-N 3.48Å; L52-S54 PolarHBondContact O-N 2.88Å; S54-Y56 VanDerWaalsContact C-N 3.3Å; S54-Y56 PolarHBondContact O-N 3.28Å; S54-L57 PolarHBondContact O-N 3.02Å; S54-E58 VanDerWaalsContact O-CB 3.31Å; S54-E58 WeakPolarHBondContact O-CB 3.47Å; S54-E58 VanDerWaalsContact O-CG 3.25Å; S54-E58 WeakPolarHBondContact O-CG 3.38Å; S54-E58 PolarHBondContact O-N 2.82Å; S54-E58 PolarHBondContact OG-OE1 3.15Å
55	S	97.7	Very high	97.5	Very high	36 Å²	36	64.8 Å²	64.8	25%	0.252	33%	0.327	S	S	.	.	H	α-helix	trans	-58.5	-42.5	176.9	-177.5	0	0	0	0	112	K51 L52 K59 K60 S61	K51-S55 PolarHBondContact O-N 2.84Å; L52-S55 PolarHBondContact O-N 2.86Å; S55-K59 PolarHBondContact O-N 2.89Å; S55-K60 PolarHBondContact O-N 2.9Å; S55-S61 WeakPolarHBondContact CB-OG 3.44Å; S55-S61 PolarHBondContact O-N 2.69Å; S55-S61 WeakPolarHBondContact OG-CB 3.36Å; S55-S61 PolarHBondContact OG-OG 3.07Å
56	Y	97.9	Very high	97.6	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.008	33%	0.33	C	S	.	.	H	α-helix	trans	-64.2	-47	176.4	169.1	-94.8	0	0	0	112.5	L52 L53 S54 E58 K59 S61 V63 V68 F72 K109 R150 Y151	L52-Y56 WeakPolarHBondContact O-CB 3.24Å; L52-Y56 PolarHBondContact O-N 3.16Å; L53-Y56 PolarHBondContact O-N 2.92Å; S54-Y56 VanDerWaalsContact C-N 3.3Å; S54-Y56 PolarHBondContact O-N 3.28Å; Y56-E58 VanDerWaalsContact C-N 3.31Å; Y56-E58 PolarHBondContact O-N 3.02Å; Y56-K59 PolarHBondContact O-N 3Å; Y56-K59 VanDerWaalsContact O-N 3.12Å; Y56-S61 PolarHBondContact N-OG 3.19Å; Y56-V63 HydrophobicContact CD2-CB 3.8Å; Y56-V63 HydrophobicContact CD2-CG2 3.95Å; Y56-V63 HydrophobicContact CE2-CB 4.26Å; Y56-V63 HydrophobicContact CG-CG2 4.45Å; Y56-V68 HydrophobicContact CD1-CG2 3.58Å; Y56-V68 HydrophobicContact CD2-CG2 4.04Å; Y56-V68 HydrophobicContact CE1-CG1 4.23Å; Y56-V68 HydrophobicContact CE1-CG2 3.69Å; Y56-V68 HydrophobicContact CE2-CB 4.37Å; Y56-V68 HydrophobicContact CE2-CG1 4.2Å; Y56-V68 HydrophobicContact CE2-CG2 4.12Å; Y56-V68 HydrophobicContact CG-CG2 3.75Å; Y56-F72 HydrophobicContact CE1-CE2 4.48Å; Y56-K109 PolarHBondContact OH-NZ 3.08Å; Y56-K109 VanDerWaalsContact OH-NZ 3.16Å; Y56-R150 PolarHBondContact O-NE 3.35Å; Y56-R150 PolarHBondContact O-NH2 3.32Å; Y56-R150 WeakPolarHBondContact OH-CD 3.35Å; Y56-Y151 HydrophobicContact CE1-CE2 4.09Å; Y56-Y151 AromaticContact CE1-CZ 3.82Å; Y56-Y151 VanDerWaalsContact CE1-OH 3.29Å; Y56-Y151 WeakPolarHBondContact CE1-OH 3.39Å; Y56-Y151 PolarHBondContact OH-OH 3.42Å
57	L	95.8	Very high	97.6	Very high	12 Å²	12	62.7 Å²	62.7	6%	0.063	32%	0.319	C	S	.	.	H	α-helix	trans	-64.9	-36	179.6	-74.5	173.3	0	0	0	112.1	P43 L53 S54 K59 F72 E149 R150 Y151	P43-L57 HydrophobicContact CG-CD1 3.99Å; L53-L57 WeakPolarHBondContact O-CB 3.23Å; L53-L57 VanDerWaalsContact O-CG 3.3Å; L53-L57 WeakPolarHBondContact O-CG 3.46Å; L53-L57 PolarHBondContact O-N 3.24Å; S54-L57 PolarHBondContact O-N 3.02Å; L57-K59 PolarHBondContact O-N 2.6Å; L57-F72 HydrophobicContact CD1-CE1 4.4Å; L57-F72 HydrophobicContact CD1-CZ 4.09Å; L57-F72 HydrophobicContact CD2-CZ 4.1Å; L57-F72 HydrophobicContact CG-CZ 4.15Å; L57-E149 CarbonylContact O-C 3.53Å; L57-E149 VanDerWaalsContact O-CA 3.28Å; L57-E149 WeakPolarHBondContact O-CA 3.48Å; L57-R150 PolarHBondContact O-N 3.39Å; L57-Y151 HydrophobicContact CD2-CD2 3.81Å; L57-Y151 HydrophobicContact CD2-CE2 3.78Å
58	E	95.6	Very high	97.6	Very high	72 Å²	72	61.1 Å²	61.1	34%	0.336	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	1.9	175.8	-69.5	167.7	-150.6	0	0	113.6	R45 S54 Y56 K60	R45-E58 IonicContact NH1-OE1 3.35Å; S54-E58 VanDerWaalsContact O-CB 3.31Å; S54-E58 WeakPolarHBondContact O-CB 3.47Å; S54-E58 VanDerWaalsContact O-CG 3.25Å; S54-E58 WeakPolarHBondContact O-CG 3.38Å; S54-E58 PolarHBondContact O-N 2.82Å; S54-E58 PolarHBondContact OG-OE1 3.15Å; Y56-E58 VanDerWaalsContact C-N 3.31Å; Y56-E58 PolarHBondContact O-N 3.02Å; E58-K60 HydrophobicContact CB-CD 4.2Å; E58-K60 HydrophobicContact CB-CG 4.14Å; E58-K60 PolarHBondContact O-N 3.36Å; E58-K60 WeakPolarHBondContact OE2-CD 3.47Å; E58-K60 WeakPolarHBondContact OE2-CE 3.44Å; E58-K60 IonicContact OE2-NZ 2.66Å; E58-K60 PolarHBondContact OE2-NZ 3.24Å
59	K	95.5	Very high	97.6	Very high	115 Å²	115	54.7 Å²	54.7	50%	0.5	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	23.7	-177.6	-53	169.7	-177.8	156.3	0	113.7	S55 Y56 L57 H148 E149 R150	S55-K59 PolarHBondContact O-N 2.89Å; Y56-K59 PolarHBondContact O-N 3Å; Y56-K59 VanDerWaalsContact O-N 3.12Å; L57-K59 PolarHBondContact O-N 2.6Å; K59-H148 WeakPolarHBondContact CD-O 3.5Å; K59-H148 WeakPolarHBondContact CE-O 3.37Å; K59-H148 PolarHBondContact NZ-O 3.2Å; K59-E149 PolarHBondContact NZ-O 2.69Å; K59-R150 VanDerWaalsContact CE-CA 3.45Å; K59-R150 HydrophobicContact CG-CB 4.31Å
60	K	96.6	Very high	97.6	Very high	156 Å²	156	57 Å²	57	68%	0.678	29%	0.291	S	S	*	.	S	Bend	trans	-84.1	-19.9	175.1	-68.8	176.1	178.1	166.1	0	112.7	S55 E58	S55-K60 PolarHBondContact O-N 2.9Å; E58-K60 HydrophobicContact CB-CD 4.2Å; E58-K60 HydrophobicContact CB-CG 4.14Å; E58-K60 PolarHBondContact O-N 3.36Å; E58-K60 WeakPolarHBondContact OE2-CD 3.47Å; E58-K60 WeakPolarHBondContact OE2-CE 3.44Å; E58-K60 IonicContact OE2-NZ 2.66Å; E58-K60 PolarHBondContact OE2-NZ 3.24Å
61	S	96.3	Very high	97.7	Very high	38 Å²	38	59 Å²	59	27%	0.266	30%	0.302	S	S	.	.	S	Bend	trans	-140.7	150.6	171.8	54	0	0	0	0	110.1	S55 Y56 R150	S55-S61 WeakPolarHBondContact CB-OG 3.44Å; S55-S61 PolarHBondContact O-N 2.69Å; S55-S61 WeakPolarHBondContact OG-CB 3.36Å; S55-S61 PolarHBondContact OG-OG 3.07Å; Y56-S61 PolarHBondContact N-OG 3.19Å; S61-R150 PolarHBondContact O-NH2 3.4Å
62	D	97.1	Very high	97.7	Very high	133 Å²	133	55.1 Å²	55.1	71%	0.711	29%	0.285	S	S	*	.			trans	-101.4	138.6	167	-70.2	-47.4	0	0	0	109.3	R150	D62-R150 IonicContact OD1-CZ 3Å; D62-R150 VanDerWaalsContact OD1-CZ 3.29Å; D62-R150 IonicContact OD1-NH1 3.35Å; D62-R150 PolarHBondContact OD1-NH1 3.24Å; D62-R150 IonicContact OD1-NH2 2.89Å; D62-R150 PolarHBondContact OD1-NH2 3.41Å
63	V	97.4	Very high	97.7	Very high	41 Å²	41	50.8 Å²	50.8	25%	0.248	26%	0.263	C	S	.	.			trans	-133.6	138.2	178.5	-175.8	0	0	0	0	105.9	Y56 A67 V68 L71	Y56-V63 HydrophobicContact CD2-CB 3.8Å; Y56-V63 HydrophobicContact CD2-CG2 3.95Å; Y56-V63 HydrophobicContact CE2-CB 4.26Å; Y56-V63 HydrophobicContact CG-CG2 4.45Å; V63-A67 HydrophobicContact CG1-CB 4Å; V63-V68 HydrophobicContact CB-CB 4.05Å; V63-V68 HydrophobicContact CB-CG2 4.4Å; V63-V68 HydrophobicContact CG1-CB 3.81Å; V63-V68 HydrophobicContact CG1-CG2 4.44Å; V63-L71 HydrophobicContact CG1-CD1 4.38Å
64	E	98.4	Very high	97.7	Very high	104 Å²	104	52.5 Å²	52.5	49%	0.486	28%	0.277	S	S	.	.			trans	-57.6	143.8	176.4	-167.5	-70.3	133.5	0	0	110.4	H66 A67 V68	E64-H66 VanDerWaalsContact CD-N 3.34Å; E64-H66 PolarHBondContact O-N 2.86Å; E64-H66 IonicContact OE1-CE1 3.62Å; E64-H66 IonicContact OE1-CG 3.87Å; E64-H66 PolarHBondContact OE1-N 2.91Å; E64-H66 IonicContact OE1-ND1 2.74Å; E64-H66 PolarHBondContact OE1-ND1 3.32Å; E64-H66 WeakPolarHBondContact OE2-CA 3.43Å; E64-H66 WeakPolarHBondContact OE2-CB 3.46Å; E64-H66 IonicContact OE2-CG 2.7Å; E64-H66 PolarHBondContact OE2-N 2.95Å; E64-H66 IonicContact OE2-ND1 2.74Å; E64-A67 HydrophobicContact CB-CB 4.28Å; E64-A67 PolarHBondContact O-N 3.29Å; E64-A67 PolarHBondContact OE2-N 2.95Å; E64-V68 PolarHBondContact O-N 3.47Å
65	D	98.3	Very high	97.8	Very high	57 Å²	57	51.6 Å²	51.6	31%	0.305	27%	0.271	S	S	.	.	H	α-helix	trans	-65.4	-36.1	-166.6	-76.8	-21.6	0	0	0	114	V68 H69 K109 F112	D65-V68 WeakPolarHBondContact O-CG1 3.37Å; D65-H69 WeakPolarHBondContact O-CB 3.21Å; D65-H69 PolarHBondContact O-N 3.34Å; D65-K109 HydrophobicContact CB-CD 4.16Å; D65-K109 IonicContact OD1-NZ 3.71Å; D65-K109 PolarHBondContact OD1-NZ 3.35Å; D65-K109 WeakPolarHBondContact OD2-CD 3.44Å; D65-K109 IonicContact OD2-NZ 3.37Å; D65-F112 HydrophobicContact CB-CE2 3.77Å; D65-F112 HydrophobicContact CB-CZ 3.5Å
66	H	98.7	Very high	97.9	Very high	83 Å²	83	50.1 Å²	50.1	38%	0.384	26%	0.259	S	S	.	.	H	α-helix	trans	-70.5	-45.4	174.2	-54.2	80.2	0	0	0	110.1	E64 V68 H69 L70 F112 W116	E64-H66 VanDerWaalsContact CD-N 3.34Å; E64-H66 PolarHBondContact O-N 2.86Å; E64-H66 IonicContact OE1-CE1 3.62Å; E64-H66 IonicContact OE1-CG 3.87Å; E64-H66 PolarHBondContact OE1-N 2.91Å; E64-H66 IonicContact OE1-ND1 2.74Å; E64-H66 PolarHBondContact OE1-ND1 3.32Å; E64-H66 WeakPolarHBondContact OE2-CA 3.43Å; E64-H66 WeakPolarHBondContact OE2-CB 3.46Å; E64-H66 IonicContact OE2-CG 2.7Å; E64-H66 PolarHBondContact OE2-N 2.95Å; E64-H66 IonicContact OE2-ND1 2.74Å; H66-V68 PolarHBondContact O-N 3.47Å; H66-H69 PolarHBondContact O-N 3.14Å; H66-L70 WeakPolarHBondContact O-CG 3.42Å; H66-L70 PolarHBondContact O-N 3.38Å; H66-F112 AromaticContact CD2-CE1 3.54Å; H66-F112 AromaticContact CD2-CZ 3.91Å; H66-F112 AromaticContact CE1-CZ 3.68Å; H66-F112 AromaticContact CG-CE1 3.92Å; H66-F112 AromaticContact CG-CZ 3.97Å; H66-F112 AromaticContact ND1-CZ 3.84Å; H66-F112 AromaticContact NE2-CE1 3.66Å; H66-F112 AromaticContact NE2-CZ 3.73Å; H66-W116 HydrophobicContact CB-CH2 3.93Å; H66-W116 HydrophobicContact CB-CZ2 4.15Å; H66-W116 AromaticContact CD2-CH2 3.75Å; H66-W116 AromaticContact CD2-CZ2 3.64Å
67	A	98.6	Very high	97.9	Very high	41 Å²	41	54.5 Å²	54.5	34%	0.339	28%	0.276	S	S	.	.	H	α-helix	trans	-58.7	-47.8	178.5	0	0	0	0	0	111.7	V63 E64 H69 L70 L71	V63-A67 HydrophobicContact CG1-CB 4Å; E64-A67 HydrophobicContact CB-CB 4.28Å; E64-A67 PolarHBondContact O-N 3.29Å; E64-A67 PolarHBondContact OE2-N 2.95Å; A67-H69 VanDerWaalsContact C-N 3.34Å; A67-H69 PolarHBondContact O-N 3.49Å; A67-L70 PolarHBondContact O-N 3.07Å; A67-L71 WeakPolarHBondContact O-CG 3.39Å; A67-L71 PolarHBondContact O-N 3.48Å
68	V	98.6	Very high	98.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67.7	-34.2	-179.6	76.5	0	0	0	0	112.5	L53 Y56 V63 E64 D65 H66 L71 F72	L53-V68 HydrophobicContact CD2-CG2 3.86Å; Y56-V68 HydrophobicContact CD1-CG2 3.58Å; Y56-V68 HydrophobicContact CD2-CG2 4.04Å; Y56-V68 HydrophobicContact CE1-CG1 4.23Å; Y56-V68 HydrophobicContact CE1-CG2 3.69Å; Y56-V68 HydrophobicContact CE2-CB 4.37Å; Y56-V68 HydrophobicContact CE2-CG1 4.2Å; Y56-V68 HydrophobicContact CE2-CG2 4.12Å; Y56-V68 HydrophobicContact CG-CG2 3.75Å; V63-V68 HydrophobicContact CB-CB 4.05Å; V63-V68 HydrophobicContact CB-CG2 4.4Å; V63-V68 HydrophobicContact CG1-CB 3.81Å; V63-V68 HydrophobicContact CG1-CG2 4.44Å; E64-V68 PolarHBondContact O-N 3.47Å; D65-V68 WeakPolarHBondContact O-CG1 3.37Å; H66-V68 PolarHBondContact O-N 3.47Å; V68-L71 PolarHBondContact O-N 3.14Å; V68-F72 HydrophobicContact CG2-CD2 4.15Å; V68-F72 HydrophobicContact CG2-CE2 3.92Å; V68-F72 WeakPolarHBondContact O-CD2 3.37Å; V68-F72 PolarHBondContact O-N 3.22Å
69	H	98.8	Very high	98.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-45.8	174.1	176.3	73.9	0	0	0	111.4	D65 H66 A67 L71 F72 S73 T106 W116 C117	D65-H69 WeakPolarHBondContact O-CB 3.21Å; D65-H69 PolarHBondContact O-N 3.34Å; H66-H69 PolarHBondContact O-N 3.14Å; A67-H69 VanDerWaalsContact C-N 3.34Å; A67-H69 PolarHBondContact O-N 3.49Å; H69-L71 VanDerWaalsContact C-N 3.34Å; H69-L71 PolarHBondContact O-N 3Å; H69-F72 WeakPolarHBondContact O-CB 3.38Å; H69-F72 PolarHBondContact O-N 3.25Å; H69-S73 PolarHBondContact O-N 3.26Å; H69-S73 VanDerWaalsContact O-N 3.12Å; H69-T106 HydrophobicContact CB-CG2 3.93Å; H69-T106 VanDerWaalsContact ND1-CB 3.33Å; H69-T106 WeakPolarHBondContact ND1-CB 3.39Å; H69-T106 PolarHBondContact ND1-OG1 2.9Å; H69-W116 HydrophobicContact CB-CH2 4.21Å; H69-W116 HydrophobicContact CB-CZ3 4.15Å; H69-W116 AromaticContact CD2-CH2 3.5Å; H69-W116 VanDerWaalsContact CD2-CH2 3.5Å; H69-W116 WeakPolarHBondContact CD2-CH2 3.31Å; H69-W116 AromaticContact CD2-CZ3 3.22Å; H69-W116 WeakPolarHBondContact CD2-CZ3 3.44Å; H69-W116 AromaticContact CG-CZ3 3.71Å; H69-W116 AromaticContact NE2-CZ3 3.83Å; H69-C117 PolarHBondContact CE1-O 3.12Å; H69-C117 VanDerWaalsContact CE1-O 3.25Å; H69-C117 PolarHBondContact NE2-O 3.01Å; H69-C117 VanDerWaalsContact NE2-O 3.14Å
70	L	98.9	Very high	98.4	Very high	88 Å²	88	50.1 Å²	50.1	46%	0.461	26%	0.258	S	S	.	.	H	α-helix	trans	-64.9	-36.5	176.4	-64.6	177.8	0	0	0	112	H66 A67 S73 A74 P120	H66-L70 WeakPolarHBondContact O-CG 3.42Å; H66-L70 PolarHBondContact O-N 3.38Å; A67-L70 PolarHBondContact O-N 3.07Å; L70-S73 PolarHBondContact O-N 2.87Å; L70-A74 WeakPolarHBondContact O-CB 3.33Å; L70-A74 PolarHBondContact O-N 3.01Å; L70-P120 HydrophobicContact CD2-CB 4.09Å; L70-P120 HydrophobicContact CD2-CG 3.6Å
71	L	98.8	Very high	98.5	Very high	43 Å²	43	46.9 Å²	46.9	23%	0.225	25%	0.253	C	S	.	.	H	α-helix	trans	-62.6	-41.6	173.3	-69.4	173.5	0	0	0	111.9	I49 L53 V63 A67 V68 H69 S73 A74 N75	I49-L71 HydrophobicContact CG2-CB 4.07Å; I49-L71 HydrophobicContact CG2-CD2 4.08Å; I49-L71 VanDerWaalsContact CG2-O 3.31Å; I49-L71 WeakPolarHBondContact CG2-O 3.45Å; L53-L71 HydrophobicContact CD2-CB 3.76Å; L53-L71 HydrophobicContact CG-CB 4.35Å; V63-L71 HydrophobicContact CG1-CD1 4.38Å; A67-L71 WeakPolarHBondContact O-CG 3.39Å; A67-L71 PolarHBondContact O-N 3.48Å; V68-L71 PolarHBondContact O-N 3.14Å; H69-L71 VanDerWaalsContact C-N 3.34Å; H69-L71 PolarHBondContact O-N 3Å; L71-S73 VanDerWaalsContact C-N 3.3Å; L71-S73 PolarHBondContact O-N 3.15Å; L71-A74 PolarHBondContact O-N 3.29Å; L71-N75 VanDerWaalsContact O-CB 3.32Å; L71-N75 WeakPolarHBondContact O-CB 3.42Å; L71-N75 PolarHBondContact O-N 3.32Å
72	F	98.9	Very high	98.6	Very high	24 Å²	24	48 Å²	48	11%	0.105	26%	0.255	C	S	.	.	H	α-helix	trans	-60.5	-40	174	-86.1	-68.7	0	0	0	112.2	P43 L53 Y56 L57 V68 H69 R76	P43-F72 HydrophobicContact CB-CD1 4.2Å; P43-F72 HydrophobicContact CB-CE1 3.9Å; P43-F72 HydrophobicContact CG-CE1 3.87Å; L53-F72 HydrophobicContact CB-CE1 4.37Å; L53-F72 HydrophobicContact CB-CZ 4.49Å; L53-F72 HydrophobicContact CD1-CD1 3.74Å; L53-F72 HydrophobicContact CD1-CE1 4.03Å; L53-F72 HydrophobicContact CD1-CG 4.17Å; L53-F72 HydrophobicContact CD2-CD1 3.97Å; L53-F72 HydrophobicContact CD2-CD2 3.69Å; L53-F72 HydrophobicContact CD2-CE1 3.99Å; L53-F72 HydrophobicContact CD2-CE2 3.7Å; L53-F72 HydrophobicContact CD2-CG 3.81Å; L53-F72 HydrophobicContact CD2-CZ 3.84Å; L53-F72 HydrophobicContact CG-CD1 4.39Å; L53-F72 HydrophobicContact CG-CE1 4.36Å; Y56-F72 HydrophobicContact CE1-CE2 4.48Å; L57-F72 HydrophobicContact CD1-CE1 4.4Å; L57-F72 HydrophobicContact CD1-CZ 4.09Å; L57-F72 HydrophobicContact CD2-CZ 4.1Å; L57-F72 HydrophobicContact CG-CZ 4.15Å; V68-F72 HydrophobicContact CG2-CD2 4.15Å; V68-F72 HydrophobicContact CG2-CE2 3.92Å; V68-F72 WeakPolarHBondContact O-CD2 3.37Å; V68-F72 PolarHBondContact O-N 3.22Å; H69-F72 WeakPolarHBondContact O-CB 3.38Å; H69-F72 PolarHBondContact O-N 3.25Å; F72-R76 VanDerWaalsContact O-CZ 3.26Å; F72-R76 PolarHBondContact O-N 3.31Å; F72-R76 PolarHBondContact O-NH1 3.04Å
73	S	98.9	Very high	98.7	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-69.4	-46	176	-176.2	0	0	0	0	112.1	H69 L70 L71 N75 R76 W77 P120 D121	H69-S73 PolarHBondContact O-N 3.26Å; H69-S73 VanDerWaalsContact O-N 3.12Å; L70-S73 PolarHBondContact O-N 2.87Å; L71-S73 VanDerWaalsContact C-N 3.3Å; L71-S73 PolarHBondContact O-N 3.15Å; S73-N75 VanDerWaalsContact C-N 3.25Å; S73-N75 PolarHBondContact O-N 3.27Å; S73-R76 VanDerWaalsContact CA-NH2 3.3Å; S73-R76 WeakPolarHBondContact O-CA 3.47Å; S73-R76 WeakPolarHBondContact O-CB 3.49Å; S73-R76 PolarHBondContact O-N 3.04Å; S73-W77 VanDerWaalsContact O-CD1 3.31Å; S73-W77 PolarHBondContact O-N 2.96Å; S73-P120 VanDerWaalsContact OG-C 3.27Å; S73-P120 VanDerWaalsContact OG-CB 3.26Å; S73-P120 WeakPolarHBondContact OG-CB 3.31Å; S73-P120 PolarHBondContact OG-O 3.36Å; S73-P120 VanDerWaalsContact OG-O 3.08Å; S73-D121 WeakPolarHBondContact CB-OD1 3.5Å; S73-D121 PolarHBondContact OG-OD1 3.38Å
74	A	98.8	Very high	98.7	Very high	36 Å²	36	44.8 Å²	44.8	30%	0.298	23%	0.232	S	C	.	.	H	α-helix	trans	-57.1	-39.2	176	0	0	0	0	0	112.2	I49 L70 L71 R76 W77 E78	I49-A74 HydrophobicContact CD1-CB 3.76Å; L70-A74 WeakPolarHBondContact O-CB 3.33Å; L70-A74 PolarHBondContact O-N 3.01Å; L71-A74 PolarHBondContact O-N 3.29Å; A74-R76 PolarHBondContact O-N 3.35Å; A74-W77 PolarHBondContact O-N 3.34Å; A74-W77 VanDerWaalsContact O-N 3.12Å; A74-E78 PolarHBondContact O-N 3.44Å
75	N	98.9	Very high	98.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-26.4	174.9	-177.4	-117.9	0	0	0	113.5	F42 P43 E44 T47 I49 L53 L71 S73 E78	F42-N75 VanDerWaalsContact CE1-O 3.32Å; F42-N75 WeakPolarHBondContact CE1-O 3.18Å; P43-N75 WeakPolarHBondContact CA-OD1 3.41Å; P43-N75 WeakPolarHBondContact CB-OD1 3.41Å; E44-N75 PolarHBondContact N-OD1 3.32Å; E44-N75 PolarHBondContact O-ND2 3.31Å; T47-N75 PolarHBondContact OG1-ND2 3.43Å; I49-N75 HydrophobicContact CG2-CB 3.84Å; L53-N75 HydrophobicContact CD1-CB 3.74Å; L71-N75 VanDerWaalsContact O-CB 3.32Å; L71-N75 WeakPolarHBondContact O-CB 3.42Å; L71-N75 PolarHBondContact O-N 3.32Å; S73-N75 VanDerWaalsContact C-N 3.25Å; S73-N75 PolarHBondContact O-N 3.27Å; N75-E78 PolarHBondContact ND2-OE1 3.47Å; N75-E78 VanDerWaalsContact O-CG 3.26Å; N75-E78 WeakPolarHBondContact O-CG 3.5Å
76	R	98.9	Very high	98.7	Very high	4 Å²	4	44 Å²	44	2%	0.015	23%	0.225	C	C	.	.	H	α-helix	trans	-76.8	-45.5	168.7	-72.3	179.8	-72.3	-79.8	6.2	111.3	F42 F72 S73 A74 E78 Q79 V80 Y98 D121 L124	F42-R76 HydrophobicContact CB-CG 4.44Å; F42-R76 HydrophobicContact CD1-CB 4.45Å; F42-R76 HydrophobicContact CD1-CG 3.63Å; F42-R76 HydrophobicContact CD2-CG 4.15Å; F42-R76 HydrophobicContact CE1-CB 4.23Å; F42-R76 HydrophobicContact CE1-CG 3.86Å; F42-R76 HydrophobicContact CE2-CG 4.32Å; F42-R76 HydrophobicContact CG-CG 3.78Å; F42-R76 HydrophobicContact CZ-CB 4.47Å; F42-R76 HydrophobicContact CZ-CG 4.18Å; F72-R76 VanDerWaalsContact O-CZ 3.26Å; F72-R76 PolarHBondContact O-N 3.31Å; F72-R76 PolarHBondContact O-NH1 3.04Å; S73-R76 VanDerWaalsContact CA-NH2 3.3Å; S73-R76 WeakPolarHBondContact O-CA 3.47Å; S73-R76 WeakPolarHBondContact O-CB 3.49Å; S73-R76 PolarHBondContact O-N 3.04Å; A74-R76 PolarHBondContact O-N 3.35Å; R76-E78 VanDerWaalsContact C-N 3.33Å; R76-E78 PolarHBondContact O-N 3.02Å; R76-Q79 PolarHBondContact O-N 3.35Å; R76-Q79 VanDerWaalsContact O-N 3.09Å; R76-V80 PolarHBondContact O-N 3.17Å; R76-Y98 HydrophobicContact CG-CE2 4.48Å; R76-D121 IonicContact CZ-OD1 2.85Å; R76-D121 IonicContact CZ-OD2 3.67Å; R76-D121 IonicContact NE-OD1 3.8Å; R76-D121 PolarHBondContact NE-OD1 3.32Å; R76-D121 IonicContact NE-OD2 2.62Å; R76-D121 PolarHBondContact NE-OD2 2.99Å; R76-D121 IonicContact NH2-OD1 3.65Å; R76-D121 PolarHBondContact NH2-OD1 3.02Å; R76-D121 IonicContact NH2-OD2 3.73Å; R76-D121 PolarHBondContact NH2-OD2 2.91Å; R76-L124 HydrophobicContact CB-CD1 4.03Å; R76-L124 HydrophobicContact CB-CD2 4.33Å
77	W	98.9	Very high	98.7	Very high	95 Å²	95	40.1 Å²	40.1	36%	0.36	21%	0.208	S	C	.	.	H	α-helix	trans	-60.1	-38.7	-178.9	-81.5	107.9	0	0	0	113.5	S73 A74 Q79 V80 P120 V122 G123 L124	S73-W77 VanDerWaalsContact O-CD1 3.31Å; S73-W77 PolarHBondContact O-N 2.96Å; A74-W77 PolarHBondContact O-N 3.34Å; A74-W77 VanDerWaalsContact O-N 3.12Å; W77-Q79 PolarHBondContact O-N 3.47Å; W77-V80 HydrophobicContact CD2-CG2 4.38Å; W77-V80 HydrophobicContact CE3-CB 4.33Å; W77-V80 HydrophobicContact CE3-CG2 3.75Å; W77-V80 HydrophobicContact CZ3-CG2 4.25Å; W77-V80 WeakPolarHBondContact O-CB 3.36Å; W77-V80 PolarHBondContact O-N 3Å; W77-P120 PolarHBondContact NE1-O 2.9Å; W77-V122 WeakPolarHBondContact CZ2-O 3.45Å; W77-G123 VanDerWaalsContact CH2-C 3.48Å; W77-L124 HydrophobicContact CD2-CD2 3.55Å; W77-L124 HydrophobicContact CD2-CG 4.42Å; W77-L124 HydrophobicContact CE3-CD2 3.86Å; W77-L124 HydrophobicContact CG-CD2 4.01Å; W77-L124 HydrophobicContact CH2-CD2 4.19Å; W77-L124 HydrophobicContact CH2-CG 4.47Å; W77-L124 HydrophobicContact CZ2-CD2 3.9Å; W77-L124 HydrophobicContact CZ2-CG 3.96Å; W77-L124 HydrophobicContact CZ3-CD2 4.17Å
78	E	98.7	Very high	98.7	Very high	69 Å²	69	41.7 Å²	41.7	32%	0.322	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.9	176.9	67.5	-175.8	-165.5	0	0	113	T47 A74 N75 R76	T47-E78 WeakPolarHBondContact CB-OE1 3.34Å; T47-E78 WeakPolarHBondContact CG2-OE1 3.41Å; T47-E78 PolarHBondContact OG1-OE1 3.42Å; A74-E78 PolarHBondContact O-N 3.44Å; N75-E78 PolarHBondContact ND2-OE1 3.47Å; N75-E78 VanDerWaalsContact O-CG 3.26Å; N75-E78 WeakPolarHBondContact O-CG 3.5Å; R76-E78 VanDerWaalsContact C-N 3.33Å; R76-E78 PolarHBondContact O-N 3.02Å
79	Q	98.8	Very high	98.6	Very high	29 Å²	29	45.7 Å²	45.7	14%	0.136	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-7.8	176.9	-59.8	-56.7	-39.1	0	0	113.4	F42 E44 R76 W77 L82 I83	F42-Q79 HydrophobicContact CE1-CB 4.07Å; F42-Q79 HydrophobicContact CE1-CG 3.7Å; F42-Q79 HydrophobicContact CZ-CB 3.82Å; F42-Q79 HydrophobicContact CZ-CG 3.92Å; E44-Q79 HydrophobicContact CB-CG 4.43Å; R76-Q79 PolarHBondContact O-N 3.35Å; R76-Q79 VanDerWaalsContact O-N 3.09Å; W77-Q79 PolarHBondContact O-N 3.47Å; Q79-L82 WeakPolarHBondContact O-CB 3.3Å; Q79-L82 PolarHBondContact O-N 3.21Å; Q79-I83 HydrophobicContact CB-CD1 4.2Å; Q79-I83 WeakPolarHBondContact O-CG1 3.49Å; Q79-I83 PolarHBondContact O-N 3.49Å
80	V	98.8	Very high	98.5	Very high	9 Å²	9	46.8 Å²	46.8	6%	0.055	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-41.4	-177	171.3	0	0	0	0	113.6	R76 W77 L82 I83 K84 L124 P125	R76-V80 PolarHBondContact O-N 3.17Å; W77-V80 HydrophobicContact CD2-CG2 4.38Å; W77-V80 HydrophobicContact CE3-CB 4.33Å; W77-V80 HydrophobicContact CE3-CG2 3.75Å; W77-V80 HydrophobicContact CZ3-CG2 4.25Å; W77-V80 WeakPolarHBondContact O-CB 3.36Å; W77-V80 PolarHBondContact O-N 3Å; V80-L82 PolarHBondContact O-N 2.95Å; V80-I83 PolarHBondContact O-N 2.69Å; V80-K84 HydrophobicContact CG1-CD 3.94Å; V80-K84 HydrophobicContact CG1-CG 4.26Å; V80-K84 WeakPolarHBondContact O-CG 3.24Å; V80-K84 PolarHBondContact O-N 3.43Å; V80-L124 HydrophobicContact CG2-CD2 3.45Å; V80-L124 VanDerWaalsContact CG2-CD2 3.45Å; V80-P125 HydrophobicContact CG1-CG 4.02Å; V80-P125 HydrophobicContact CG2-CG 4.27Å
81	P	98.8	Very high	98.5	Very high	88 Å²	88	42.6 Å²	42.6	57%	0.571	22%	0.224	S	C	*	.	H	α-helix	trans	-56.8	-47.5	174.8	-26.1	36	0	0	0	112.4	K84 E85	P81-K84 PolarHBondContact O-N 3.13Å; P81-E85 WeakPolarHBondContact O-CB 3.46Å; P81-E85 PolarHBondContact O-N 2.93Å
82	L	98.7	Very high	98.5	Very high	60 Å²	60	40.7 Å²	40.7	31%	0.314	21%	0.214	S	C	.	.	H	α-helix	trans	-61.8	-45.9	177	176.3	67.3	0	0	0	111.5	L40 Q79 V80 K84 E85 K86	L40-L82 HydrophobicContact CD2-CD2 4.45Å; Q79-L82 WeakPolarHBondContact O-CB 3.3Å; Q79-L82 PolarHBondContact O-N 3.21Å; V80-L82 PolarHBondContact O-N 2.95Å; L82-K84 PolarHBondContact O-N 3.05Å; L82-E85 PolarHBondContact O-N 3.15Å; L82-K86 HydrophobicContact CD1-CG 3.89Å; L82-K86 HydrophobicContact CG-CG 4.3Å; L82-K86 WeakPolarHBondContact O-CB 3.48Å; L82-K86 VanDerWaalsContact O-CG 3.28Å; L82-K86 WeakPolarHBondContact O-CG 3.48Å; L82-K86 PolarHBondContact O-N 3.48Å
83	I	98.8	Very high	98.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.5	-51.4	179	-71.3	166.8	0	0	0	110.2	L8 L40 F42 Q79 V80 E85 K86 L87 L93 Y98 P125	L8-I83 HydrophobicContact CD1-CG2 4.45Å; L40-I83 HydrophobicContact CD1-CD1 4.4Å; L40-I83 HydrophobicContact CD1-CG1 3.77Å; F42-I83 HydrophobicContact CZ-CD1 4.3Å; Q79-I83 HydrophobicContact CB-CD1 4.2Å; Q79-I83 WeakPolarHBondContact O-CG1 3.49Å; Q79-I83 PolarHBondContact O-N 3.49Å; V80-I83 PolarHBondContact O-N 2.69Å; I83-E85 PolarHBondContact O-N 3.02Å; I83-K86 PolarHBondContact O-N 3.2Å; I83-L87 HydrophobicContact CG2-CD1 3.67Å; I83-L87 HydrophobicContact CG2-CG 4.45Å; I83-L87 WeakPolarHBondContact O-CB 3.49Å; I83-L87 WeakPolarHBondContact O-CD1 3.2Å; I83-L87 WeakPolarHBondContact O-CG 3.47Å; I83-L87 PolarHBondContact O-N 2.99Å; I83-L93 HydrophobicContact CB-CD1 4.08Å; I83-L93 HydrophobicContact CG1-CD1 4.06Å; I83-L93 HydrophobicContact CG2-CD1 3.9Å; I83-Y98 HydrophobicContact CD1-CE2 4.39Å; I83-P125 HydrophobicContact CB-CG 4.49Å; I83-P125 HydrophobicContact CG2-CB 3.85Å; I83-P125 HydrophobicContact CG2-CG 3.8Å
84	K	98.6	Very high	98.5	Very high	108 Å²	108	39.5 Å²	39.5	47%	0.47	21%	0.209	S	C	.	.	H	α-helix	trans	-63.2	-42.3	-179.4	-72.9	-179.3	175.8	179.9	0	111.7	V80 P81 L82 S88 P125 L207	V80-K84 HydrophobicContact CG1-CD 3.94Å; V80-K84 HydrophobicContact CG1-CG 4.26Å; V80-K84 WeakPolarHBondContact O-CG 3.24Å; V80-K84 PolarHBondContact O-N 3.43Å; P81-K84 PolarHBondContact O-N 3.13Å; L82-K84 PolarHBondContact O-N 3.05Å; K84-S88 WeakPolarHBondContact O-CB 3.48Å; K84-S88 PolarHBondContact O-N 3.41Å; K84-S88 PolarHBondContact O-OG 3.49Å; K84-P125 HydrophobicContact CG-CG 4.35Å; K84-L207 HydrophobicContact CG-CD2 4.27Å
85	E	98.4	Very high	98.5	Very high	101 Å²	101	37.8 Å²	37.8	47%	0.472	19%	0.194	S	C	.	.	H	α-helix	trans	-59.2	-55.6	177.1	-177	-174.6	175.9	0	0	111.2	P81 L82 I83 L87 S88 Q89	P81-E85 WeakPolarHBondContact O-CB 3.46Å; P81-E85 PolarHBondContact O-N 2.93Å; L82-E85 PolarHBondContact O-N 3.15Å; I83-E85 PolarHBondContact O-N 3.02Å; E85-L87 PolarHBondContact O-N 3.24Å; E85-S88 PolarHBondContact O-N 2.94Å; E85-S88 VanDerWaalsContact O-N 3.13Å; E85-S88 PolarHBondContact O-OG 3.27Å; E85-Q89 WeakPolarHBondContact O-CG 3.23Å; E85-Q89 PolarHBondContact O-N 2.82Å; E85-Q89 PolarHBondContact OE1-NE2 2.98Å
86	K	98.5	Very high	98.5	Very high	43 Å²	43	37.9 Å²	37.9	19%	0.187	20%	0.195	C	C	.	.	H	α-helix	trans	-59.2	-46.5	-177.6	-71.3	-71	-174.5	164.3	0	112.2	E38 L82 I83 S88 Q89 G90 V91 L93	E38-K86 IonicContact OE1-NZ 3.63Å; E38-K86 PolarHBondContact OE1-NZ 3.2Å; E38-K86 WeakPolarHBondContact OE2-CE 3.34Å; E38-K86 IonicContact OE2-NZ 2.7Å; E38-K86 PolarHBondContact OE2-NZ 3.43Å; L82-K86 HydrophobicContact CD1-CG 3.89Å; L82-K86 HydrophobicContact CG-CG 4.3Å; L82-K86 WeakPolarHBondContact O-CB 3.48Å; L82-K86 VanDerWaalsContact O-CG 3.28Å; L82-K86 WeakPolarHBondContact O-CG 3.48Å; L82-K86 PolarHBondContact O-N 3.48Å; I83-K86 PolarHBondContact O-N 3.2Å; K86-S88 VanDerWaalsContact C-N 3.33Å; K86-S88 PolarHBondContact O-N 2.83Å; K86-Q89 WeakPolarHBondContact O-CB 3.32Å; K86-Q89 PolarHBondContact O-N 2.89Å; K86-Q89 VanDerWaalsContact O-N 3.15Å; K86-G90 PolarHBondContact O-N 2.85Å; K86-V91 HydrophobicContact CB-CB 4.2Å; K86-V91 HydrophobicContact CD-CB 4.46Å; K86-V91 HydrophobicContact CD-CG2 4.34Å; K86-V91 WeakPolarHBondContact O-CB 3.39Å; K86-V91 PolarHBondContact O-N 3.46Å; K86-L93 HydrophobicContact CB-CD1 4.14Å; K86-L93 HydrophobicContact CB-CD2 4.01Å; K86-L93 HydrophobicContact CB-CG 4.31Å; K86-L93 HydrophobicContact CG-CD2 4.43Å
87	L	98.4	Very high	98.5	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-45.1	176.6	-66.7	170.3	0	0	0	110.6	R5 G6 A7 L8 I83 E85 Q89 G90 L93 L207	R5-L87 CarbonylContact C-O 3.6Å; R5-L87 WeakPolarHBondContact CA-O 3.44Å; R5-L87 VanDerWaalsContact CB-O 3.23Å; R5-L87 WeakPolarHBondContact CB-O 3.4Å; G6-L87 PolarHBondContact N-O 3.46Å; G6-L87 WeakPolarHBondContact O-CD2 3.32Å; A7-L87 VanDerWaalsContact C-CD2 3.49Å; A7-L87 WeakPolarHBondContact O-CD2 3.34Å; L8-L87 HydrophobicContact CB-CD1 4.1Å; L8-L87 HydrophobicContact CB-CD2 4.2Å; I83-L87 HydrophobicContact CG2-CD1 3.67Å; I83-L87 HydrophobicContact CG2-CG 4.45Å; I83-L87 WeakPolarHBondContact O-CB 3.49Å; I83-L87 WeakPolarHBondContact O-CD1 3.2Å; I83-L87 WeakPolarHBondContact O-CG 3.47Å; I83-L87 PolarHBondContact O-N 2.99Å; E85-L87 PolarHBondContact O-N 3.24Å; L87-Q89 PolarHBondContact O-N 2.81Å; L87-G90 PolarHBondContact O-N 3.01Å; L87-L93 HydrophobicContact CD1-CD1 4.44Å; L87-L93 HydrophobicContact CD2-CB 4.39Å; L87-L93 HydrophobicContact CD2-CD1 4.15Å; L87-L93 HydrophobicContact CD2-CG 4.11Å; L87-L93 HydrophobicContact CG-CD1 3.92Å; L87-L93 HydrophobicContact CG-CG 4.37Å; L87-L207 HydrophobicContact CD1-CD1 4.01Å; L87-L207 HydrophobicContact CD1-CD2 3.83Å
88	S	97.5	Very high	98.5	Very high	74 Å²	74	35.4 Å²	35.4	52%	0.517	19%	0.186	S	C	.	.	H	α-helix	trans	-62.7	-29	178.6	78.9	0	0	0	0	113.5	K84 E85 K86 G90	K84-S88 WeakPolarHBondContact O-CB 3.48Å; K84-S88 PolarHBondContact O-N 3.41Å; K84-S88 PolarHBondContact O-OG 3.49Å; E85-S88 PolarHBondContact O-N 2.94Å; E85-S88 VanDerWaalsContact O-N 3.13Å; E85-S88 PolarHBondContact O-OG 3.27Å; K86-S88 VanDerWaalsContact C-N 3.33Å; K86-S88 PolarHBondContact O-N 2.83Å; S88-G90 PolarHBondContact O-N 3.36Å
89	Q	97.3	Very high	98.5	Very high	83 Å²	83	32.1 Å²	32.1	39%	0.388	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	0	175.7	-68.5	171.9	1.7	0	0	113	R36 E85 K86 L87 V91	R36-Q89 PolarHBondContact NH1-O 3Å; E85-Q89 WeakPolarHBondContact O-CG 3.23Å; E85-Q89 PolarHBondContact O-N 2.82Å; E85-Q89 PolarHBondContact OE1-NE2 2.98Å; K86-Q89 WeakPolarHBondContact O-CB 3.32Å; K86-Q89 PolarHBondContact O-N 2.89Å; K86-Q89 VanDerWaalsContact O-N 3.15Å; L87-Q89 PolarHBondContact O-N 2.81Å; Q89-V91 HydrophobicContact CB-CG2 4.45Å
90	G	97.4	Very high	98.5	Very high	23 Å²	23	30.8 Å²	30.8	24%	0.237	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	13	-177.6	0	0	0	0	0	114.3	R4 K86 L87 S88	R4-G90 VanDerWaalsContact O-CA 3.29Å; R4-G90 WeakPolarHBondContact O-CA 3.43Å; K86-G90 PolarHBondContact O-N 2.85Å; L87-G90 PolarHBondContact O-N 3.01Å; S88-G90 PolarHBondContact O-N 3.36Å
91	V	98.6	Very high	98.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.			trans	-87.5	121.5	175.4	-175.2	0	0	0	0	109.2	R36 E38 K86 Q89 L93	R36-V91 HydrophobicContact CB-CG2 4.28Å; R36-V91 CarbonylContact O-C 3.59Å; R36-V91 WeakPolarHBondContact O-CA 3.37Å; E38-V91 HydrophobicContact CB-CG1 4.09Å; E38-V91 HydrophobicContact CG-CG1 3.75Å; K86-V91 HydrophobicContact CB-CB 4.2Å; K86-V91 HydrophobicContact CD-CB 4.46Å; K86-V91 HydrophobicContact CD-CG2 4.34Å; K86-V91 WeakPolarHBondContact O-CB 3.39Å; K86-V91 PolarHBondContact O-N 3.46Å; Q89-V91 HydrophobicContact CB-CG2 4.45Å; V91-L93 HydrophobicContact CG1-CD2 4.45Å
92	T	98.7	Very high	98.4	Very high	4 Å²	4	27 Å²	27	3%	0.025	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	133.9	171.1	-72	0	0	0	0	109.7	A7 I9 R36 A37 E38 I94 I199	A7-T92 HydrophobicContact CB-CG2 4.23Å; A7-T92 PolarHBondContact N-OG1 3.02Å; A7-T92 VanDerWaalsContact N-OG1 3.16Å; A7-T92 CarbonylContact O-C 3.44Å; A7-T92 VanDerWaalsContact O-CA 3.31Å; A7-T92 WeakPolarHBondContact O-CA 3.33Å; A7-T92 WeakPolarHBondContact O-CG2 3.24Å; I9-T92 HydrophobicContact CD1-CG2 4.12Å; I9-T92 HydrophobicContact CG1-CG2 4.49Å; R36-T92 PolarHBondContact O-N 2.81Å; A37-T92 CarbonylContact C-O 3.57Å; A37-T92 VanDerWaalsContact CA-O 3.24Å; A37-T92 WeakPolarHBondContact CA-O 3.45Å; E38-T92 PolarHBondContact N-O 2.91Å; T92-I94 HydrophobicContact CG2-CD1 3.82Å; T92-I199 HydrophobicContact CG2-CD1 4.09Å; T92-I199 HydrophobicContact CG2-CG1 4.04Å
93	L	98.9	Very high	98.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.8	178.5	-64.2	176.6	0	0	0	109.7	A7 L8 I9 E38 L40 I83 K86 L87 V91 V95	A7-L93 PolarHBondContact O-N 3.24Å; L8-L93 HydrophobicContact CD1-CB 3.95Å; L8-L93 HydrophobicContact CD1-CD1 4.47Å; I9-L93 PolarHBondContact N-O 3.42Å; E38-L93 HydrophobicContact CB-CD2 4.03Å; L40-L93 HydrophobicContact CD1-CD1 3.97Å; L40-L93 HydrophobicContact CD1-CD2 4.19Å; L40-L93 HydrophobicContact CD1-CG 4.49Å; L40-L93 HydrophobicContact CG-CD2 4.42Å; I83-L93 HydrophobicContact CB-CD1 4.08Å; I83-L93 HydrophobicContact CG1-CD1 4.06Å; I83-L93 HydrophobicContact CG2-CD1 3.9Å; K86-L93 HydrophobicContact CB-CD1 4.14Å; K86-L93 HydrophobicContact CB-CD2 4.01Å; K86-L93 HydrophobicContact CB-CG 4.31Å; K86-L93 HydrophobicContact CG-CD2 4.43Å; L87-L93 HydrophobicContact CD1-CD1 4.44Å; L87-L93 HydrophobicContact CD2-CB 4.39Å; L87-L93 HydrophobicContact CD2-CD1 4.15Å; L87-L93 HydrophobicContact CD2-CG 4.11Å; L87-L93 HydrophobicContact CG-CD1 3.92Å; L87-L93 HydrophobicContact CG-CG 4.37Å; V91-L93 HydrophobicContact CG1-CD2 4.45Å; L93-V95 HydrophobicContact CB-CG2 4.32Å
94	I	98.9	Very high	98.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.2	170.9	-52.1	-50.6	0	0	0	107.2	I9 L11 L26 V27 L30 E38 L39 L40 T92	I9-I94 HydrophobicContact CB-CD1 3.81Å; I9-I94 HydrophobicContact CD1-CD1 3.9Å; I9-I94 HydrophobicContact CG1-CD1 4.26Å; I9-I94 HydrophobicContact CG2-CD1 4.3Å; I9-I94 CarbonylContact O-C 3.54Å; I9-I94 WeakPolarHBondContact O-CA 3.33Å; L11-I94 HydrophobicContact CD1-CG2 3.56Å; L26-I94 HydrophobicContact CD2-CD1 3.61Å; L26-I94 HydrophobicContact CD2-CG1 4.06Å; L26-I94 HydrophobicContact CD2-CG2 3.94Å; L26-I94 HydrophobicContact CG-CD1 4.09Å; L26-I94 HydrophobicContact CG-CG1 4.21Å; V27-I94 HydrophobicContact CG2-CB 3.67Å; V27-I94 HydrophobicContact CG2-CG1 3.51Å; V27-I94 HydrophobicContact CG2-CG2 4.36Å; L30-I94 HydrophobicContact CD1-CD1 3.94Å; L30-I94 HydrophobicContact CD1-CG1 4.34Å; E38-I94 PolarHBondContact O-N 2.84Å; L39-I94 CarbonylContact C-O 3.59Å; L39-I94 WeakPolarHBondContact CA-O 3.41Å; L39-I94 WeakPolarHBondContact CD1-O 3.33Å; L40-I94 PolarHBondContact N-O 3.44Å; T92-I94 HydrophobicContact CG2-CD1 3.82Å
95	V	98.8	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	116.2	-170.6	-165.1	0	0	0	0	111	L8 I9 V10 L11 L40 F42 L93 R97 Y98	L8-V95 HydrophobicContact CD1-CG2 3.57Å; I9-V95 PolarHBondContact O-N 3.4Å; V10-V95 WeakPolarHBondContact CA-O 3.08Å; V10-V95 HydrophobicContact CG2-CB 4.18Å; L11-V95 PolarHBondContact N-O 2.85Å; L40-V95 HydrophobicContact CB-CG1 4.19Å; L40-V95 HydrophobicContact CB-CG2 4.29Å; L40-V95 WeakPolarHBondContact O-CA 3.35Å; F42-V95 HydrophobicContact CD2-CG1 3.69Å; F42-V95 HydrophobicContact CE2-CG1 3.78Å; L93-V95 HydrophobicContact CB-CG2 4.32Å; V95-R97 VanDerWaalsContact CG1-O 3.31Å; V95-R97 WeakPolarHBondContact CG1-O 3.42Å; V95-R97 PolarHBondContact O-N 3.23Å; V95-Y98 HydrophobicContact CG1-CD2 4.11Å
96	D	98.4	Very high	98.3	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.011	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	103.2	173.4	-174.6	0.3	0	0	0	109.3	K19 S20 L40 R41 F42	K19-D96 WeakPolarHBondContact CB-OD1 3.34Å; S20-D96 VanDerWaalsContact CA-OD2 3.23Å; S20-D96 WeakPolarHBondContact CA-OD2 3.27Å; S20-D96 VanDerWaalsContact CB-OD2 3.31Å; S20-D96 WeakPolarHBondContact CB-OD2 3.26Å; S20-D96 PolarHBondContact OG-OD2 3.33Å; L40-D96 PolarHBondContact O-N 3.16Å; R41-D96 WeakPolarHBondContact CA-O 3.31Å; R41-D96 HydrophobicContact CB-CB 4.14Å; R41-D96 HydrophobicContact CG-CB 4.17Å; R41-D96 IonicContact CZ-OD2 3.57Å; R41-D96 VanDerWaalsContact CZ-OD2 3.31Å; R41-D96 IonicContact NE-OD2 3.86Å; R41-D96 PolarHBondContact NE-OD2 2.94Å; R41-D96 IonicContact NH2-OD2 2.63Å; R41-D96 PolarHBondContact NH2-OD2 3.49Å; F42-D96 PolarHBondContact N-O 2.84Å
97	R	98.4	Very high	98.3	Very high	47 Å²	47	13.8 Å²	13.8	18%	0.177	8%	0.084	C	C	.	.	S	Bend	trans	66.2	149	-169.7	-52.5	-178.9	-179.1	-85.7	7.8	114.9	L11 D15 K19 F42 V95 S101	L11-R97 PolarHBondContact O-N 3.06Å; D15-R97 IonicContact OD1-CZ 2.74Å; D15-R97 IonicContact OD1-NH2 2.83Å; D15-R97 PolarHBondContact OD1-NH2 3.48Å; K19-R97 HydrophobicContact CD-CG 4.35Å; K19-R97 VanDerWaalsContact NZ-CZ 3.32Å; F42-R97 WeakPolarHBondContact CD2-O 3.4Å; V95-R97 VanDerWaalsContact CG1-O 3.31Å; V95-R97 WeakPolarHBondContact CG1-O 3.42Å; V95-R97 PolarHBondContact O-N 3.23Å; R97-S101 PolarHBondContact NH1-OG 3.44Å
98	Y	98.8	Very high	98.3	Very high	1 Å²	1	13.9 Å²	13.9	0%	0.004	9%	0.085	C	C	.	.			trans	-147.3	-149.1	176.7	-157.6	-124.4	0	0	0	111.5	V10 E12 F42 R76 I83 V95 F100 S101 G102 L124 P125 P127 L210	V10-Y98 HydrophobicContact CG2-CD1 4.27Å; V10-Y98 HydrophobicContact CG2-CG 4.09Å; E12-Y98 PolarHBondContact OE1-N 3.35Å; F42-Y98 AromaticContact CD2-CD2 3.66Å; F42-Y98 HydrophobicContact CD2-CD2 3.66Å; F42-Y98 HydrophobicContact CD2-CE2 4.15Å; F42-Y98 AromaticContact CE2-CD2 3.63Å; F42-Y98 HydrophobicContact CE2-CD2 3.63Å; F42-Y98 AromaticContact CE2-CE2 3.66Å; F42-Y98 HydrophobicContact CE2-CE2 3.66Å; F42-Y98 HydrophobicContact CZ-CE2 4.39Å; R76-Y98 HydrophobicContact CG-CE2 4.48Å; I83-Y98 HydrophobicContact CD1-CE2 4.39Å; V95-Y98 HydrophobicContact CG1-CD2 4.11Å; Y98-F100 HydrophobicContact CD1-CE2 4.4Å; Y98-F100 PolarHBondContact O-N 2.9Å; Y98-S101 PolarHBondContact O-N 3.48Å; Y98-G102 PolarHBondContact O-N 3.4Å; Y98-L124 HydrophobicContact CE1-CB 4.28Å; Y98-L124 HydrophobicContact CE1-CD1 4.13Å; Y98-P125 PolarHBondContact OH-O 3.14Å; Y98-P127 HydrophobicContact CD1-CG 4.19Å; Y98-P127 HydrophobicContact CE1-CG 4.4Å; Y98-L210 HydrophobicContact CE1-CD2 4.47Å
99	A	98.8	Very high	98.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-54.3	-33.1	177.4	0	0	0	0	0	113.3	G102 V103 D121 L124 L210 W211	A99-G102 WeakPolarHBondContact O-CA 3.36Å; A99-G102 PolarHBondContact O-N 3.42Å; A99-V103 PolarHBondContact O-N 3.38Å; A99-D121 HydrophobicContact CB-CB 3.82Å; A99-D121 WeakPolarHBondContact CB-OD2 3.35Å; A99-L124 HydrophobicContact CB-CD1 4.14Å; A99-L210 HydrophobicContact CB-CD2 3.6Å; A99-W211 HydrophobicContact CB-CH2 3.98Å; A99-W211 HydrophobicContact CB-CZ3 4.17Å
100	F	98.7	Very high	98.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.5	-43.4	-177.5	-41.9	-70.7	0	0	0	112.2	V10 E12 Y98 G102 V103 A104 P127 I130 F164 L167 L173 W175 L210 W211	V10-F100 HydrophobicContact CG1-CD2 4.25Å; V10-F100 HydrophobicContact CG1-CE2 4.27Å; E12-F100 HydrophobicContact CG-CB 3.94Å; E12-F100 HydrophobicContact CG-CD2 3.77Å; E12-F100 HydrophobicContact CG-CG 4.28Å; Y98-F100 HydrophobicContact CD1-CE2 4.4Å; Y98-F100 PolarHBondContact O-N 2.9Å; F100-G102 VanDerWaalsContact C-N 3.3Å; F100-G102 PolarHBondContact O-N 3.29Å; F100-V103 PolarHBondContact O-N 2.73Å; F100-A104 WeakPolarHBondContact O-CB 3.47Å; F100-A104 PolarHBondContact O-N 2.84Å; F100-P127 HydrophobicContact CE2-CG 4.02Å; F100-P127 HydrophobicContact CZ-CG 4.11Å; F100-I130 HydrophobicContact CD2-CD1 4.48Å; F100-I130 HydrophobicContact CD2-CG2 4.06Å; F100-I130 HydrophobicContact CE1-CD1 3.9Å; F100-I130 HydrophobicContact CE2-CD1 3.57Å; F100-I130 HydrophobicContact CE2-CG1 3.77Å; F100-I130 HydrophobicContact CE2-CG2 3.93Å; F100-I130 HydrophobicContact CZ-CD1 3.23Å; F100-I130 HydrophobicContact CZ-CG1 3.93Å; F100-F164 HydrophobicContact CB-CD1 4.4Å; F100-F164 HydrophobicContact CB-CE1 3.84Å; F100-L167 HydrophobicContact CB-CD1 4.2Å; F100-L173 HydrophobicContact CE1-CD1 3.63Å; F100-L173 HydrophobicContact CZ-CD1 4.23Å; F100-L173 HydrophobicContact CZ-CD2 4.47Å; F100-W175 HydrophobicContact CB-CH2 3.94Å; F100-W175 HydrophobicContact CB-CZ2 4.43Å; F100-W175 AromaticContact CD1-CH2 3.89Å; F100-W175 HydrophobicContact CD1-CH2 3.89Å; F100-W175 AromaticContact CD1-CZ2 3.56Å; F100-W175 HydrophobicContact CD1-CZ2 3.56Å; F100-W175 HydrophobicContact CD2-CH2 4.09Å; F100-W175 HydrophobicContact CD2-CZ2 4.41Å; F100-W175 HydrophobicContact CE1-CH2 4.5Å; F100-W175 AromaticContact CE1-CZ2 3.9Å; F100-W175 HydrophobicContact CE1-CZ2 3.9Å; F100-W175 AromaticContact CG-CH2 3.67Å; F100-W175 HydrophobicContact CG-CH2 3.67Å; F100-W175 AromaticContact CG-CZ2 3.86Å; F100-W175 HydrophobicContact CG-CZ2 3.86Å; F100-W175 HydrophobicContact CZ-CZ2 4.45Å; F100-L210 HydrophobicContact CE1-CD1 4.11Å; F100-L210 HydrophobicContact CZ-CD1 4.14Å; F100-W211 HydrophobicContact CD1-CH2 4.3Å; F100-W211 AromaticContact CD1-CZ2 3.74Å; F100-W211 HydrophobicContact CD1-CZ2 3.74Å; F100-W211 HydrophobicContact CE1-CH2 4.49Å; F100-W211 AromaticContact CE1-CZ2 3.76Å; F100-W211 HydrophobicContact CE1-CZ2 3.76Å
101	S	98.1	Very high	98	Very high	10 Å²	10	21.3 Å²	21.3	7%	0.07	11%	0.11	C	C	.	.	H	α-helix	trans	-58.2	-41.1	168.1	-88	0	0	0	0	111.7	E12 R97 Y98 V103 A104 F105	E12-S101 PolarHBondContact OE1-N 3.47Å; E12-S101 PolarHBondContact OE2-OG 3.02Å; R97-S101 PolarHBondContact NH1-OG 3.44Å; Y98-S101 PolarHBondContact O-N 3.48Å; S101-V103 PolarHBondContact O-N 3.23Å; S101-A104 PolarHBondContact O-N 3.28Å; S101-F105 WeakPolarHBondContact O-CB 3.34Å; S101-F105 WeakPolarHBondContact O-CD2 3.46Å; S101-F105 PolarHBondContact O-N 3.29Å
102	G	98.3	Very high	98	Very high	7 Å²	7	22.5 Å²	22.5	7%	0.072	12%	0.115	C	C	.	.	H	α-helix	trans	-58.2	-48.1	176.5	0	0	0	0	0	113	Y98 A99 F100 T106	Y98-G102 PolarHBondContact O-N 3.4Å; A99-G102 WeakPolarHBondContact O-CA 3.36Å; A99-G102 PolarHBondContact O-N 3.42Å; F100-G102 VanDerWaalsContact C-N 3.3Å; F100-G102 PolarHBondContact O-N 3.29Å; G102-T106 PolarHBondContact O-N 3.33Å
103	V	98.7	Very high	98	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-68.2	-47.6	178.1	175.7	0	0	0	0	111.9	A99 F100 S101 F105 G107 L114 C117 K118 L167 W211	A99-V103 PolarHBondContact O-N 3.38Å; F100-V103 PolarHBondContact O-N 2.73Å; S101-V103 PolarHBondContact O-N 3.23Å; V103-F105 PolarHBondContact O-N 2.94Å; V103-G107 WeakPolarHBondContact O-CA 3.33Å; V103-G107 PolarHBondContact O-N 2.92Å; V103-L114 HydrophobicContact CG1-CD2 3.79Å; V103-C117 HydrophobicContact CB-CB 4.28Å; V103-C117 HydrophobicContact CG1-CB 3.86Å; V103-C117 HydrophobicContact CG2-CB 4.25Å; V103-C117 WeakPolarHBondContact CG2-O 3.2Å; V103-K118 HydrophobicContact CG1-CG 4.15Å; V103-K118 HydrophobicContact CG2-CB 4.48Å; V103-K118 HydrophobicContact CG2-CG 3.89Å; V103-L167 HydrophobicContact CB-CD1 4.05Å; V103-L167 HydrophobicContact CG1-CD1 3.99Å; V103-L167 HydrophobicContact CG1-CD2 3.93Å; V103-L167 HydrophobicContact CG1-CG 4.37Å; V103-W211 HydrophobicContact CB-CH2 4.47Å; V103-W211 HydrophobicContact CG2-CH2 3.48Å; V103-W211 VanDerWaalsContact CG2-CH2 3.48Å; V103-W211 HydrophobicContact CG2-CZ2 4.5Å; V103-W211 HydrophobicContact CG2-CZ3 3.81Å
104	A	98.2	Very high	97.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.9	-39.4	-174.5	0	0	0	0	0	112.5	F100 S101 A108 C163 F164 L167	F100-A104 WeakPolarHBondContact O-CB 3.47Å; F100-A104 PolarHBondContact O-N 2.84Å; S101-A104 PolarHBondContact O-N 3.28Å; A104-A108 WeakPolarHBondContact O-CB 3.5Å; A104-A108 PolarHBondContact O-N 2.74Å; A104-A108 VanDerWaalsContact O-N 3.14Å; A104-C163 HydrophobicContact CB-CB 3.97Å; A104-F164 HydrophobicContact CB-CD1 4Å; A104-F164 HydrophobicContact CB-CD2 3.59Å; A104-F164 HydrophobicContact CB-CE1 3.92Å; A104-F164 HydrophobicContact CB-CE2 3.51Å; A104-F164 HydrophobicContact CB-CG 3.84Å; A104-F164 HydrophobicContact CB-CZ 3.69Å; A104-L167 HydrophobicContact CB-CD1 4.47Å
105	F	97.6	Very high	97.9	Very high	20 Å²	20	32 Å²	32	9%	0.088	17%	0.171	C	C	.	.	H	α-helix	trans	-74.9	-42.9	-178.5	-79.5	-116.1	0	0	0	111.7	S101 V103 A108 Y151 F156 F164	S101-F105 WeakPolarHBondContact O-CB 3.34Å; S101-F105 WeakPolarHBondContact O-CD2 3.46Å; S101-F105 PolarHBondContact O-N 3.29Å; V103-F105 PolarHBondContact O-N 2.94Å; F105-A108 WeakPolarHBondContact O-CB 3.28Å; F105-A108 PolarHBondContact O-N 3.23Å; F105-Y151 AromaticContact CD1-CD2 3.59Å; F105-Y151 HydrophobicContact CD1-CD2 3.59Å; F105-Y151 HydrophobicContact CD1-CE2 4.22Å; F105-Y151 AromaticContact CD1-CG 3.86Å; F105-Y151 HydrophobicContact CD1-CG 3.86Å; F105-Y151 HydrophobicContact CE1-CD2 4.11Å; F105-Y151 HydrophobicContact CE1-CG 4.27Å; F105-F156 HydrophobicContact CB-CE1 4.4Å; F105-F156 HydrophobicContact CB-CZ 4.44Å; F105-F156 AromaticContact CD1-CE1 3.68Å; F105-F156 HydrophobicContact CD1-CE1 3.68Å; F105-F156 HydrophobicContact CD1-CZ 4.4Å; F105-F156 HydrophobicContact CE1-CE1 4.27Å; F105-F156 HydrophobicContact CG-CE1 4.26Å; F105-F156 WeakPolarHBondContact O-CZ 3.45Å; F105-F164 HydrophobicContact CE2-CE2 4.19Å; F105-F164 HydrophobicContact CE2-CZ 4.47Å
106	T	98.3	Very high	97.9	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-70.5	-40.6	175.4	-63.6	0	0	0	0	111.6	H69 G102 A108 K109 F112 W116	H69-T106 HydrophobicContact CB-CG2 3.93Å; H69-T106 VanDerWaalsContact ND1-CB 3.33Å; H69-T106 WeakPolarHBondContact ND1-CB 3.39Å; H69-T106 PolarHBondContact ND1-OG1 2.9Å; G102-T106 PolarHBondContact O-N 3.33Å; T106-A108 PolarHBondContact O-N 2.84Å; T106-A108 VanDerWaalsContact O-N 3.15Å; T106-K109 VanDerWaalsContact O-CB 3.27Å; T106-K109 WeakPolarHBondContact O-CB 3.4Å; T106-K109 PolarHBondContact O-N 2.74Å; T106-F112 HydrophobicContact CG2-CB 4.24Å; T106-F112 HydrophobicContact CG2-CD1 3.38Å; T106-F112 HydrophobicContact CG2-CD2 4.32Å; T106-F112 HydrophobicContact CG2-CE1 3.74Å; T106-F112 HydrophobicContact CG2-CG 3.71Å; T106-F112 HydrophobicContact CG2-CZ 4.36Å; T106-F112 WeakPolarHBondContact O-CB 3.21Å; T106-W116 HydrophobicContact CG2-CZ3 4.26Å
107	G	98.1	Very high	97.9	Very high	14 Å²	14	36 Å²	36	14%	0.144	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-16.3	175.3	0	0	0	0	0	114.4	V103 K109 C163	V103-G107 WeakPolarHBondContact O-CA 3.33Å; V103-G107 PolarHBondContact O-N 2.92Å; G107-K109 VanDerWaalsContact C-N 3.26Å; G107-C163 VanDerWaalsContact C-SG 3.52Å
108	A	97.4	Very high	97.9	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.033	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-16.7	171.8	0	0	0	0	0	113.1	A104 F105 T106 F156 R159 A160	A104-A108 WeakPolarHBondContact O-CB 3.5Å; A104-A108 PolarHBondContact O-N 2.74Å; A104-A108 VanDerWaalsContact O-N 3.14Å; F105-A108 WeakPolarHBondContact O-CB 3.28Å; F105-A108 PolarHBondContact O-N 3.23Å; T106-A108 PolarHBondContact O-N 2.84Å; T106-A108 VanDerWaalsContact O-N 3.15Å; A108-F156 HydrophobicContact CB-CD2 4.39Å; A108-F156 HydrophobicContact CB-CE1 4.27Å; A108-F156 HydrophobicContact CB-CE2 3.96Å; A108-F156 HydrophobicContact CB-CZ 3.91Å; A108-R159 HydrophobicContact CB-CB 3.8Å; A108-R159 WeakPolarHBondContact O-CD 3.46Å; A108-R159 PolarHBondContact O-NE 2.92Å; A108-R159 PolarHBondContact O-NH1 3.39Å; A108-A160 HydrophobicContact CB-CB 3.98Å
109	K	97.3	Very high	97.9	Very high	24 Å²	24	41 Å²	41	10%	0.104	21%	0.211	C	C	.	.	S	Bend	trans	-80.5	161.9	176.4	-57.9	-179.7	-179.6	-176.3	0	110.7	Y56 D65 T106 G107 F112 Y151 F156	Y56-K109 PolarHBondContact OH-NZ 3.08Å; Y56-K109 VanDerWaalsContact OH-NZ 3.16Å; D65-K109 HydrophobicContact CB-CD 4.16Å; D65-K109 IonicContact OD1-NZ 3.71Å; D65-K109 PolarHBondContact OD1-NZ 3.35Å; D65-K109 WeakPolarHBondContact OD2-CD 3.44Å; D65-K109 IonicContact OD2-NZ 3.37Å; T106-K109 VanDerWaalsContact O-CB 3.27Å; T106-K109 WeakPolarHBondContact O-CB 3.4Å; T106-K109 PolarHBondContact O-N 2.74Å; G107-K109 VanDerWaalsContact C-N 3.26Å; K109-F112 HydrophobicContact CB-CD2 3.67Å; K109-F112 HydrophobicContact CB-CE2 4.1Å; K109-F112 HydrophobicContact CD-CE2 4.39Å; K109-Y151 VanDerWaalsContact CE-OH 3.32Å; K109-Y151 WeakPolarHBondContact CE-OH 3.43Å; K109-Y151 PolarHBondContact NZ-OH 3.31Å; K109-Y151 VanDerWaalsContact NZ-OH 3.14Å; K109-F156 HydrophobicContact CG-CE2 4.04Å
110	E	93.7	Very high	97.9	Very high	150 Å²	150	42.5 Å²	42.5	70%	0.701	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	142.7	180	-65.5	-179.2	-172.6	0	0	111.2	F112	E110-F112 VanDerWaalsContact C-N 3.27Å; E110-F112 WeakPolarHBondContact O-CD2 3.43Å; E110-F112 PolarHBondContact O-N 3.08Å
111	N	95.9	Very high	97.9	Very high	162 Å²	162	42.5 Å²	42.5	87%	0.866	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	20.1	176.8	-51.9	-47.3	0	0	0	116.1
112	F	98.2	Very high	97.9	Very high	25 Å²	25	44.1 Å²	44.1	11%	0.11	23%	0.23	C	C	.	.			trans	-105.3	114.2	171.9	-75.5	-86.5	0	0	0	111.4	D65 H66 T106 K109 E110 W116	D65-F112 HydrophobicContact CB-CE2 3.77Å; D65-F112 HydrophobicContact CB-CZ 3.5Å; H66-F112 AromaticContact CD2-CE1 3.54Å; H66-F112 AromaticContact CD2-CZ 3.91Å; H66-F112 AromaticContact CE1-CZ 3.68Å; H66-F112 AromaticContact CG-CE1 3.92Å; H66-F112 AromaticContact CG-CZ 3.97Å; H66-F112 AromaticContact ND1-CZ 3.84Å; H66-F112 AromaticContact NE2-CE1 3.66Å; H66-F112 AromaticContact NE2-CZ 3.73Å; T106-F112 HydrophobicContact CG2-CB 4.24Å; T106-F112 HydrophobicContact CG2-CD1 3.38Å; T106-F112 HydrophobicContact CG2-CD2 4.32Å; T106-F112 HydrophobicContact CG2-CE1 3.74Å; T106-F112 HydrophobicContact CG2-CG 3.71Å; T106-F112 HydrophobicContact CG2-CZ 4.36Å; T106-F112 WeakPolarHBondContact O-CB 3.21Å; K109-F112 HydrophobicContact CB-CD2 3.67Å; K109-F112 HydrophobicContact CB-CE2 4.1Å; K109-F112 HydrophobicContact CD-CE2 4.39Å; E110-F112 VanDerWaalsContact C-N 3.27Å; E110-F112 WeakPolarHBondContact O-CD2 3.43Å; E110-F112 PolarHBondContact O-N 3.08Å; F112-W116 AromaticContact CD1-CE3 3.7Å; F112-W116 HydrophobicContact CD1-CE3 3.7Å; F112-W116 HydrophobicContact CD1-CH2 4.44Å; F112-W116 AromaticContact CD1-CZ3 3.56Å; F112-W116 HydrophobicContact CD1-CZ3 3.56Å; F112-W116 HydrophobicContact CE1-CE3 4.08Å; F112-W116 AromaticContact CE1-CH2 3.99Å; F112-W116 HydrophobicContact CE1-CH2 3.99Å; F112-W116 AromaticContact CE1-CZ3 3.53Å; F112-W116 HydrophobicContact CE1-CZ3 3.53Å
113	S	98.1	Very high	97.9	Very high	67 Å²	67	44.2 Å²	44.2	47%	0.469	23%	0.231	S	C	.	.			trans	-77.7	145.1	173.2	73.8	0	0	0	0	111	D115 W116 C117	S113-D115 PolarHBondContact O-N 3Å; S113-W116 PolarHBondContact O-N 3.06Å; S113-W116 WeakPolarHBondContact OG-CB 3.12Å; S113-W116 PolarHBondContact OG-N 3.25Å; S113-W116 VanDerWaalsContact OG-N 3.15Å; S113-C117 PolarHBondContact O-N 3.31Å; S113-C117 VanDerWaalsContact O-N 3.08Å; S113-C117 PolarHBondContact O-SG 3.14Å
114	L	97.6	Very high	97.9	Very high	33 Å²	33	44.2 Å²	44.2	17%	0.173	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-32.7	174.5	-69.3	-166	0	0	0	112.2	V103 C117 K118 C163 Q166	V103-L114 HydrophobicContact CG1-CD2 3.79Å; L114-C117 PolarHBondContact O-N 2.68Å; L114-K118 WeakPolarHBondContact O-CG 2.92Å; L114-K118 PolarHBondContact O-N 3.4Å; L114-C163 HydrophobicContact CD2-CB 4Å; L114-Q166 HydrophobicContact CD1-CB 3.58Å; L114-Q166 HydrophobicContact CD1-CG 4.32Å
115	D	97.9	Very high	98	Very high	105 Å²	105	44.4 Å²	44.4	56%	0.561	23%	0.232	S	C	*	.	H	α-helix	trans	-61	-54	177.3	-177.7	62.4	0	0	0	110.9	S113 C117 K118 Q119	S113-D115 PolarHBondContact O-N 3Å; D115-C117 VanDerWaalsContact C-N 3.29Å; D115-C117 PolarHBondContact O-N 2.89Å; D115-K118 PolarHBondContact O-N 3.09Å; D115-Q119 WeakPolarHBondContact O-CG 3.37Å; D115-Q119 PolarHBondContact O-N 3.2Å; D115-Q119 PolarHBondContact O-NE2 3.46Å; D115-Q119 PolarHBondContact OD1-NE2 2.66Å
116	W	98.6	Very high	98	Very high	86 Å²	86	45.9 Å²	45.9	33%	0.326	24%	0.238	S	C	.	.	H	α-helix	trans	-56.7	-44.4	176.9	-177.5	89.1	0	0	0	111.8	H66 H69 T106 F112 S113 K118 Q119 P120	H66-W116 HydrophobicContact CB-CH2 3.93Å; H66-W116 HydrophobicContact CB-CZ2 4.15Å; H66-W116 AromaticContact CD2-CH2 3.75Å; H66-W116 AromaticContact CD2-CZ2 3.64Å; H69-W116 HydrophobicContact CB-CH2 4.21Å; H69-W116 HydrophobicContact CB-CZ3 4.15Å; H69-W116 AromaticContact CD2-CH2 3.5Å; H69-W116 VanDerWaalsContact CD2-CH2 3.5Å; H69-W116 WeakPolarHBondContact CD2-CH2 3.31Å; H69-W116 AromaticContact CD2-CZ3 3.22Å; H69-W116 WeakPolarHBondContact CD2-CZ3 3.44Å; H69-W116 AromaticContact CG-CZ3 3.71Å; H69-W116 AromaticContact NE2-CZ3 3.83Å; T106-W116 HydrophobicContact CG2-CZ3 4.26Å; F112-W116 AromaticContact CD1-CE3 3.7Å; F112-W116 HydrophobicContact CD1-CE3 3.7Å; F112-W116 HydrophobicContact CD1-CH2 4.44Å; F112-W116 AromaticContact CD1-CZ3 3.56Å; F112-W116 HydrophobicContact CD1-CZ3 3.56Å; F112-W116 HydrophobicContact CE1-CE3 4.08Å; F112-W116 AromaticContact CE1-CH2 3.99Å; F112-W116 HydrophobicContact CE1-CH2 3.99Å; F112-W116 AromaticContact CE1-CZ3 3.53Å; F112-W116 HydrophobicContact CE1-CZ3 3.53Å; S113-W116 PolarHBondContact O-N 3.06Å; S113-W116 WeakPolarHBondContact OG-CB 3.12Å; S113-W116 PolarHBondContact OG-N 3.25Å; S113-W116 VanDerWaalsContact OG-N 3.15Å; W116-K118 VanDerWaalsContact C-N 3.25Å; W116-K118 PolarHBondContact O-N 3.42Å; W116-Q119 PolarHBondContact O-N 3.2Å; W116-P120 VanDerWaalsContact O-CD 3.27Å; W116-P120 WeakPolarHBondContact O-CD 3.33Å
117	C	98.7	Very high	98	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-29.4	179.1	-70	0	0	0	0	113.3	H69 V103 S113 L114 D115	H69-C117 PolarHBondContact CE1-O 3.12Å; H69-C117 VanDerWaalsContact CE1-O 3.25Å; H69-C117 PolarHBondContact NE2-O 3.01Å; H69-C117 VanDerWaalsContact NE2-O 3.14Å; V103-C117 HydrophobicContact CB-CB 4.28Å; V103-C117 HydrophobicContact CG1-CB 3.86Å; V103-C117 HydrophobicContact CG2-CB 4.25Å; V103-C117 WeakPolarHBondContact CG2-O 3.2Å; S113-C117 PolarHBondContact O-N 3.31Å; S113-C117 VanDerWaalsContact O-N 3.08Å; S113-C117 PolarHBondContact O-SG 3.14Å; L114-C117 PolarHBondContact O-N 2.68Å; D115-C117 VanDerWaalsContact C-N 3.29Å; D115-C117 PolarHBondContact O-N 2.89Å
118	K	98.7	Very high	98.1	Very high	50 Å²	50	46.8 Å²	46.8	22%	0.217	24%	0.24	C	C	.	.	H	α-helix	trans	-76.3	-35.6	179.6	-75.9	172	70.1	-177.5	0	112.3	V103 L114 D115 W116 P120 D121 V122 L167 W211	V103-K118 HydrophobicContact CG1-CG 4.15Å; V103-K118 HydrophobicContact CG2-CB 4.48Å; V103-K118 HydrophobicContact CG2-CG 3.89Å; L114-K118 WeakPolarHBondContact O-CG 2.92Å; L114-K118 PolarHBondContact O-N 3.4Å; D115-K118 PolarHBondContact O-N 3.09Å; W116-K118 VanDerWaalsContact C-N 3.25Å; W116-K118 PolarHBondContact O-N 3.42Å; K118-P120 VanDerWaalsContact C-CD 3.47Å; K118-D121 PolarHBondContact O-N 3.32Å; K118-V122 PolarHBondContact O-N 3.46Å; K118-L167 HydrophobicContact CD-CD2 4.34Å; K118-L167 HydrophobicContact CG-CD2 4.49Å; K118-W211 HydrophobicContact CB-CD2 4.32Å; K118-W211 HydrophobicContact CB-CE3 3.73Å; K118-W211 HydrophobicContact CB-CZ3 3.84Å; K118-W211 HydrophobicContact CD-CD2 4.36Å; K118-W211 VanDerWaalsContact CE-CE2 3.5Å; K118-W211 VanDerWaalsContact CE-CG 3.43Å; K118-W211 HydrophobicContact CG-CD2 4.15Å; K118-W211 HydrophobicContact CG-CE3 3.87Å; K118-W211 HydrophobicContact CG-CH2 3.95Å; K118-W211 HydrophobicContact CG-CZ2 4.18Å; K118-W211 HydrophobicContact CG-CZ3 3.75Å
119	Q	98.7	Very high	98.1	Very high	103 Å²	103	46.7 Å²	46.7	48%	0.481	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-52.6	-44.2	-169.5	-62.3	-51.5	-44.6	0	0	114.3	D115 W116 D121 V122	D115-Q119 WeakPolarHBondContact O-CG 3.37Å; D115-Q119 PolarHBondContact O-N 3.2Å; D115-Q119 PolarHBondContact O-NE2 3.46Å; D115-Q119 PolarHBondContact OD1-NE2 2.66Å; W116-Q119 PolarHBondContact O-N 3.2Å; Q119-D121 PolarHBondContact O-N 3.01Å; Q119-D121 VanDerWaalsContact O-N 3.14Å; Q119-V122 PolarHBondContact O-N 2.83Å
120	P	98.8	Very high	98.2	Very high	30 Å²	30	45.6 Å²	45.6	20%	0.195	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-60.7	-26.7	-179.4	-26.9	38	0	0	0	113.9	L70 S73 W77 W116 K118	L70-P120 HydrophobicContact CD2-CB 4.09Å; L70-P120 HydrophobicContact CD2-CG 3.6Å; S73-P120 VanDerWaalsContact OG-C 3.27Å; S73-P120 VanDerWaalsContact OG-CB 3.26Å; S73-P120 WeakPolarHBondContact OG-CB 3.31Å; S73-P120 PolarHBondContact OG-O 3.36Å; S73-P120 VanDerWaalsContact OG-O 3.08Å; W77-P120 PolarHBondContact NE1-O 2.9Å; W116-P120 VanDerWaalsContact O-CD 3.27Å; W116-P120 WeakPolarHBondContact O-CD 3.33Å; K118-P120 VanDerWaalsContact C-CD 3.47Å
121	D	98.9	Very high	98.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-100.6	-0.6	-176.4	-71.9	-35.6	0	0	0	113.7	S73 R76 A99 K118 Q119 G123 L124 W211	S73-D121 WeakPolarHBondContact CB-OD1 3.5Å; S73-D121 PolarHBondContact OG-OD1 3.38Å; R76-D121 IonicContact CZ-OD1 2.85Å; R76-D121 IonicContact CZ-OD2 3.67Å; R76-D121 IonicContact NE-OD1 3.8Å; R76-D121 PolarHBondContact NE-OD1 3.32Å; R76-D121 IonicContact NE-OD2 2.62Å; R76-D121 PolarHBondContact NE-OD2 2.99Å; R76-D121 IonicContact NH2-OD1 3.65Å; R76-D121 PolarHBondContact NH2-OD1 3.02Å; R76-D121 IonicContact NH2-OD2 3.73Å; R76-D121 PolarHBondContact NH2-OD2 2.91Å; A99-D121 HydrophobicContact CB-CB 3.82Å; A99-D121 WeakPolarHBondContact CB-OD2 3.35Å; K118-D121 PolarHBondContact O-N 3.32Å; Q119-D121 PolarHBondContact O-N 3.01Å; Q119-D121 VanDerWaalsContact O-N 3.14Å; D121-G123 PolarHBondContact O-N 3.11Å; D121-L124 HydrophobicContact CB-CD1 3.74Å; D121-L124 HydrophobicContact CB-CG 4.36Å; D121-L124 WeakPolarHBondContact O-CB 3.23Å; D121-L124 WeakPolarHBondContact O-CG 3.36Å; D121-L124 PolarHBondContact O-N 3.48Å; D121-L124 WeakPolarHBondContact OD1-CD1 3.49Å; D121-W211 HydrophobicContact CB-CE3 4.31Å; D121-W211 HydrophobicContact CB-CZ3 3.8Å
122	V	98.8	Very high	98.6	Very high	44 Å²	44	30.8 Å²	30.8	27%	0.267	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	126.1	175.3	174.6	0	0	0	0	109.3	W77 K118 Q119 L210 W211 K212	W77-V122 WeakPolarHBondContact CZ2-O 3.45Å; K118-V122 PolarHBondContact O-N 3.46Å; Q119-V122 PolarHBondContact O-N 2.83Å; V122-L210 WeakPolarHBondContact CA-O 3.42Å; V122-W211 HydrophobicContact CG2-CB 4.02Å; V122-K212 HydrophobicContact CG1-CB 4.35Å
123	G	98.4	Very high	98.5	Very high	10 Å²	10	29.6 Å²	29.6	10%	0.103	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	-3.3	-177.7	0	0	0	0	0	115.4	W77 D121 L210	W77-G123 VanDerWaalsContact CH2-C 3.48Å; D121-G123 PolarHBondContact O-N 3.11Å; G123-L210 PolarHBondContact N-O 3.35Å
124	L	98.9	Very high	98.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-58.2	155.2	169.7	-78.2	-179.2	0	0	0	111.3	R76 W77 V80 Y98 A99 D121 K126 L210	R76-L124 HydrophobicContact CB-CD1 4.03Å; R76-L124 HydrophobicContact CB-CD2 4.33Å; W77-L124 HydrophobicContact CD2-CD2 3.55Å; W77-L124 HydrophobicContact CD2-CG 4.42Å; W77-L124 HydrophobicContact CE3-CD2 3.86Å; W77-L124 HydrophobicContact CG-CD2 4.01Å; W77-L124 HydrophobicContact CH2-CD2 4.19Å; W77-L124 HydrophobicContact CH2-CG 4.47Å; W77-L124 HydrophobicContact CZ2-CD2 3.9Å; W77-L124 HydrophobicContact CZ2-CG 3.96Å; W77-L124 HydrophobicContact CZ3-CD2 4.17Å; V80-L124 HydrophobicContact CG2-CD2 3.45Å; V80-L124 VanDerWaalsContact CG2-CD2 3.45Å; Y98-L124 HydrophobicContact CE1-CB 4.28Å; Y98-L124 HydrophobicContact CE1-CD1 4.13Å; A99-L124 HydrophobicContact CB-CD1 4.14Å; D121-L124 HydrophobicContact CB-CD1 3.74Å; D121-L124 HydrophobicContact CB-CG 4.36Å; D121-L124 WeakPolarHBondContact O-CB 3.23Å; D121-L124 WeakPolarHBondContact O-CG 3.36Å; D121-L124 PolarHBondContact O-N 3.48Å; D121-L124 WeakPolarHBondContact OD1-CD1 3.49Å; L124-K126 PolarHBondContact O-N 3.4Å; L124-L210 HydrophobicContact CB-CB 4.24Å; L124-L210 HydrophobicContact CB-CD2 4.3Å; L124-L210 WeakPolarHBondContact O-CB 3.45Å; L124-L210 PolarHBondContact O-N 2.82Å
125	P	98.8	Very high	97.9	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.019	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-44.7	114.7	166.3	-32.8	39.2	0	0	0	112.1	L8 V80 I83 K84 Y98 P127 L207	L8-P125 HydrophobicContact CD2-CB 3.7Å; L8-P125 WeakPolarHBondContact CD2-O 3.47Å; V80-P125 HydrophobicContact CG1-CG 4.02Å; V80-P125 HydrophobicContact CG2-CG 4.27Å; I83-P125 HydrophobicContact CB-CG 4.49Å; I83-P125 HydrophobicContact CG2-CB 3.85Å; I83-P125 HydrophobicContact CG2-CG 3.8Å; K84-P125 HydrophobicContact CG-CG 4.35Å; Y98-P125 PolarHBondContact OH-O 3.14Å; P125-P127 WeakPolarHBondContact O-CD 3.32Å; P125-L207 HydrophobicContact CB-CD1 4.47Å; P125-L207 HydrophobicContact CB-CD2 4.12Å
126	K	98.8	Very high	97.3	Very high	52 Å²	52	29.2 Å²	29.2	23%	0.226	14%	0.141	C	C	.	.			trans	-72.6	126.4	-179.1	-172.7	176	179.3	171.7	0	109.9	L124 T172 L173 G208	L124-K126 PolarHBondContact O-N 3.4Å; K126-T172 WeakPolarHBondContact CE-O 3.37Å; K126-T172 PolarHBondContact NZ-O 3.23Å; K126-L173 HydrophobicContact CG-CD2 4.12Å; K126-G208 VanDerWaalsContact CB-O 3.3Å; K126-G208 WeakPolarHBondContact CB-O 3.48Å; K126-G208 PolarHBondContact N-O 2.91Å
127	P	98.7	Very high	96.3	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.032	13%	0.133	C	C	.	.			trans	-62.2	140	174.5	-24.1	35.9	0	0	0	112.1	L8 V10 Y98 F100 P125 L129 I130	L8-P127 HydrophobicContact CD2-CG 4.41Å; L8-P127 HydrophobicContact CG-CB 4.46Å; L8-P127 CarbonylContact O-C 3.56Å; L8-P127 WeakPolarHBondContact O-CA 3.23Å; V10-P127 HydrophobicContact CB-CB 4.39Å; V10-P127 HydrophobicContact CB-CG 4.35Å; V10-P127 HydrophobicContact CG2-CB 3.79Å; V10-P127 HydrophobicContact CG2-CG 3.5Å; Y98-P127 HydrophobicContact CD1-CG 4.19Å; Y98-P127 HydrophobicContact CE1-CG 4.4Å; F100-P127 HydrophobicContact CE2-CG 4.02Å; F100-P127 HydrophobicContact CZ-CG 4.11Å; P125-P127 WeakPolarHBondContact O-CD 3.32Å; P127-L129 VanDerWaalsContact C-N 3.31Å; P127-I130 HydrophobicContact CB-CG1 3.78Å; P127-I130 HydrophobicContact CG-CG1 4.17Å
128	D	98.7	Very high	95.4	Very high	30 Å²	30	29.7 Å²	29.7	16%	0.16	16%	0.16	C	C	.	.	S	Bend	trans	-75.2	-27.2	171.2	-64.5	-67.6	0	0	0	111.5	R5 A7 L8 N174 A202	R5-D128 IonicContact CZ-OD1 2.75Å; R5-D128 IonicContact CZ-OD2 3.59Å; R5-D128 IonicContact NH1-OD1 2.93Å; R5-D128 PolarHBondContact NH1-OD1 3.49Å; R5-D128 IonicContact NH1-OD2 3.39Å; R5-D128 PolarHBondContact NH1-OD2 3.16Å; R5-D128 IonicContact NH2-OD1 3.31Å; R5-D128 PolarHBondContact NH2-OD1 2.85Å; R5-D128 IonicContact NH2-OD2 3.92Å; A7-D128 WeakPolarHBondContact CA-OD2 3.48Å; A7-D128 HydrophobicContact CB-CB 4.4Å; L8-D128 PolarHBondContact N-OD2 3.46Å; L8-D128 PolarHBondContact O-N 3.01Å; D128-N174 WeakPolarHBondContact O-CB 3.39Å; D128-N174 PolarHBondContact O-ND2 3.25Å; D128-A202 HydrophobicContact CB-CB 4.44Å
129	L	98.8	Very high	94.7	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	135.8	179.1	174	63.9	0	0	0	109.9	L8 I9 V10 P127 L131 K176 L194 A198	L8-L129 PolarHBondContact O-N 3.38Å; I9-L129 HydrophobicContact CG1-CB 4.35Å; I9-L129 HydrophobicContact CG2-CB 4.36Å; I9-L129 HydrophobicContact CG2-CD2 4.01Å; I9-L129 HydrophobicContact CG2-CG 4.28Å; V10-L129 PolarHBondContact N-O 3.06Å; P127-L129 VanDerWaalsContact C-N 3.31Å; L129-L131 HydrophobicContact CD1-CD2 4.3Å; L129-L131 HydrophobicContact CD1-CG 4.42Å; L129-L131 HydrophobicContact CD2-CD1 4.1Å; L129-L131 HydrophobicContact CD2-CD2 4.08Å; L129-L131 HydrophobicContact CD2-CG 3.94Å; L129-L131 HydrophobicContact CG-CD2 4.33Å; L129-L131 HydrophobicContact CG-CG 4Å; L129-K176 HydrophobicContact CD1-CB 3.98Å; L129-K176 HydrophobicContact CD1-CG 3.4Å; L129-K176 VanDerWaalsContact CD1-CG 3.4Å; L129-L194 HydrophobicContact CD2-CB 4.2Å; L129-A198 HydrophobicContact CB-CB 3.74Å; L129-A198 HydrophobicContact CD2-CB 3.82Å; L129-A198 HydrophobicContact CG-CB 4.36Å
130	I	98.8	Very high	93.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	110	171.8	-47	157.6	0	0	0	108.2	V10 E12 F100 P127 L173 N174 W175 K176	V10-I130 HydrophobicContact CB-CG2 4.36Å; V10-I130 HydrophobicContact CG1-CG2 4.36Å; V10-I130 CarbonylContact O-C 3.6Å; V10-I130 WeakPolarHBondContact O-CA 3.43Å; E12-I130 HydrophobicContact CB-CG2 4.48Å; E12-I130 HydrophobicContact CG-CG2 4.2Å; F100-I130 HydrophobicContact CD2-CD1 4.48Å; F100-I130 HydrophobicContact CD2-CG2 4.06Å; F100-I130 HydrophobicContact CE1-CD1 3.9Å; F100-I130 HydrophobicContact CE2-CD1 3.57Å; F100-I130 HydrophobicContact CE2-CG1 3.77Å; F100-I130 HydrophobicContact CE2-CG2 3.93Å; F100-I130 HydrophobicContact CZ-CD1 3.23Å; F100-I130 HydrophobicContact CZ-CG1 3.93Å; P127-I130 HydrophobicContact CB-CG1 3.78Å; P127-I130 HydrophobicContact CG-CG1 4.17Å; I130-L173 HydrophobicContact CD1-CB 3.84Å; I130-L173 HydrophobicContact CD1-CD1 4.19Å; I130-L173 HydrophobicContact CD1-CD2 4.07Å; I130-L173 HydrophobicContact CD1-CG 4.26Å; I130-N174 PolarHBondContact N-O 3.39Å; I130-W175 HydrophobicContact CB-CD2 4.07Å; I130-W175 HydrophobicContact CB-CE3 3.85Å; I130-W175 HydrophobicContact CB-CZ3 4.13Å; I130-W175 HydrophobicContact CD1-CD2 4.03Å; I130-W175 HydrophobicContact CD1-CG 4.45Å; I130-W175 HydrophobicContact CD1-CH2 4.47Å; I130-W175 HydrophobicContact CD1-CZ2 3.96Å; I130-W175 HydrophobicContact CG2-CD2 4.11Å; I130-W175 HydrophobicContact CG2-CE3 3.5Å; I130-W175 VanDerWaalsContact CG2-CE3 3.5Å; I130-W175 HydrophobicContact CG2-CH2 3.66Å; I130-W175 HydrophobicContact CG2-CZ2 4.24Å; I130-W175 HydrophobicContact CG2-CZ3 3.26Å; I130-W175 CarbonylContact O-C 3.56Å; I130-W175 WeakPolarHBondContact O-CA 3.12Å; I130-K176 PolarHBondContact O-N 3.23Å
131	L	98.8	Very high	92.9	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	113.9	177.1	-66.8	161.4	0	0	0	108.5	I9 V10 L11 E12 L129 L133 K176 V178 I191 L194	I9-L131 HydrophobicContact CG2-CD1 3.98Å; V10-L131 PolarHBondContact O-N 2.58Å; L11-L131 WeakPolarHBondContact CA-O 3.38Å; L11-L131 HydrophobicContact CD1-CD1 4.4Å; L11-L131 HydrophobicContact CG-CB 4.31Å; L11-L131 HydrophobicContact CG-CD1 4.22Å; E12-L131 PolarHBondContact N-O 3.33Å; L129-L131 HydrophobicContact CD1-CD2 4.3Å; L129-L131 HydrophobicContact CD1-CG 4.42Å; L129-L131 HydrophobicContact CD2-CD1 4.1Å; L129-L131 HydrophobicContact CD2-CD2 4.08Å; L129-L131 HydrophobicContact CD2-CG 3.94Å; L129-L131 HydrophobicContact CG-CD2 4.33Å; L129-L131 HydrophobicContact CG-CG 4Å; L131-L133 HydrophobicContact CB-CD1 4.25Å; L131-K176 WeakPolarHBondContact CA-O 3.21Å; L131-K176 HydrophobicContact CD2-CB 4.04Å; L131-V178 HydrophobicContact CB-CG2 4.39Å; L131-V178 HydrophobicContact CD2-CG2 3.68Å; L131-I191 HydrophobicContact CD1-CB 4.44Å; L131-I191 HydrophobicContact CD1-CG1 4.26Å; L131-I191 HydrophobicContact CD1-CG2 3.79Å; L131-L194 HydrophobicContact CD2-CB 4.07Å; L131-L194 HydrophobicContact CD2-CD1 3.55Å; L131-L194 HydrophobicContact CD2-CG 4.47Å
132	F	98.4	Very high	92.1	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	110.1	172.4	-171.8	-93.2	0	0	0	110.3	E12 Q134 L161 F164 M168 W175 K176 M177 V178	E12-F132 HydrophobicContact CB-CD2 3.99Å; E12-F132 WeakPolarHBondContact O-CA 3.49Å; F132-Q134 HydrophobicContact CD1-CB 4.26Å; F132-Q134 HydrophobicContact CE1-CB 4.34Å; F132-Q134 PolarHBondContact O-N 2.88Å; F132-Q134 VanDerWaalsContact O-N 3.15Å; F132-L161 HydrophobicContact CE1-CD1 4.25Å; F132-L161 HydrophobicContact CZ-CD1 3.76Å; F132-F164 HydrophobicContact CD2-CD1 4.3Å; F132-F164 HydrophobicContact CE2-CB 3.82Å; F132-F164 AromaticContact CE2-CD1 3.8Å; F132-F164 HydrophobicContact CE2-CD1 3.8Å; F132-F164 AromaticContact CE2-CD2 3.98Å; F132-F164 HydrophobicContact CE2-CD2 3.98Å; F132-F164 HydrophobicContact CE2-CE1 4.31Å; F132-F164 HydrophobicContact CE2-CE2 4.47Å; F132-F164 AromaticContact CE2-CG 3.62Å; F132-F164 HydrophobicContact CE2-CG 3.62Å; F132-F164 HydrophobicContact CZ-CB 4.18Å; F132-F164 HydrophobicContact CZ-CD2 4.49Å; F132-F164 HydrophobicContact CZ-CG 4.31Å; F132-M168 HydrophobicContact CB-CE 3.66Å; F132-M168 HydrophobicContact CD1-CE 3.36Å; F132-M168 HydrophobicContact CD2-CE 3.14Å; F132-M168 HydrophobicContact CE1-CE 3.64Å; F132-M168 HydrophobicContact CE2-CE 3.44Å; F132-M168 VanDerWaalsContact CE2-CE 3.44Å; F132-M168 HydrophobicContact CG-CE 3.07Å; F132-M168 HydrophobicContact CZ-CE 3.67Å; F132-W175 HydrophobicContact CB-CE3 4.12Å; F132-W175 HydrophobicContact CB-CZ3 4.12Å; F132-W175 HydrophobicContact CD2-CZ3 4.19Å; F132-K176 PolarHBondContact N-O 2.92Å; F132-M177 HydrophobicContact CB-SD 3.89Å; F132-M177 HydrophobicContact CD1-CE 3.62Å; F132-M177 HydrophobicContact CD1-SD 3.86Å; F132-M177 HydrophobicContact CE1-CE 4.19Å; F132-M177 HydrophobicContact CG-SD 4.23Å; F132-V178 PolarHBondContact O-N 2.75Å
133	L	97.3	Very high	91.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	100.2	177.3	-81.3	64.7	0	0	0	108.8	L11 E12 A17 K19 Q22 L131 A180 I191	L11-L133 HydrophobicContact CD2-CD1 4.23Å; E12-L133 PolarHBondContact O-N 2.8Å; A17-L133 HydrophobicContact CB-CB 3.82Å; A17-L133 WeakPolarHBondContact CB-O 3.41Å; K19-L133 HydrophobicContact CG-CD2 4.41Å; Q22-L133 HydrophobicContact CB-CD2 4.41Å; Q22-L133 HydrophobicContact CG-CD2 4.02Å; L131-L133 HydrophobicContact CB-CD1 4.25Å; L133-A180 HydrophobicContact CB-CB 3.85Å; L133-A180 HydrophobicContact CG-CB 4.25Å; L133-I191 HydrophobicContact CD1-CD1 4.09Å; L133-I191 HydrophobicContact CD2-CD1 4.44Å; L133-I191 HydrophobicContact CG-CD1 4.43Å
134	Q	93.1	Very high	89.8	Confident	63 Å²	63	38 Å²	38	29%	0.294	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	122.8	179.4	-173.4	173.8	22.2	0	0	110.2	F132 Y165 M177 V178 A180	F132-Q134 HydrophobicContact CD1-CB 4.26Å; F132-Q134 HydrophobicContact CE1-CB 4.34Å; F132-Q134 PolarHBondContact O-N 2.88Å; F132-Q134 VanDerWaalsContact O-N 3.15Å; Q134-Y165 PolarHBondContact NE2-OH 3.25Å; Q134-M177 HydrophobicContact CB-CE 3.83Å; Q134-M177 HydrophobicContact CG-CE 4.13Å; Q134-V178 PolarHBondContact N-O 3.34Å; Q134-A180 WeakPolarHBondContact O-CB 3.3Å; Q134-A180 PolarHBondContact O-N 2.87Å
135	L	89.1	Confident	88.2	Confident	11 Å²	11	42.3 Å²	42.3	6%	0.058	24%	0.24	C	C	.	.			trans	-138.2	135.3	173.5	-171.6	64.1	0	0	0	108.6	A17 D139 A140 A180	A17-L135 HydrophobicContact CB-CB 4.47Å; L135-D139 HydrophobicContact CD1-CB 3.76Å; L135-D139 HydrophobicContact CG-CB 4.1Å; L135-A140 HydrophobicContact CD2-CB 3.81Å; L135-A140 HydrophobicContact CG-CB 4.35Å; L135-A180 HydrophobicContact CB-CB 4.38Å
136	Q	84.7	Confident	86.7	Confident	123 Å²	123	45.2 Å²	45.2	58%	0.575	25%	0.251	S	S	*	.			trans	-62.8	138.7	172	-64.4	-61.9	-34	0	0	109.3	A138 D139 A140	Q136-A138 PolarHBondContact O-N 3.23Å; Q136-A138 VanDerWaalsContact O-N 3.16Å; Q136-D139 PolarHBondContact O-N 2.94Å; Q136-A140 PolarHBondContact O-N 2.9Å
137	L	77.6	Confident	85.2	Confident	27 Å²	27	44.2 Å²	44.2	14%	0.141	26%	0.255	C	S	.	.	H	α-helix	trans	-58.5	-32.7	-178.2	-70.3	169.5	0	0	0	112.5	D139 A140 A141 Q157 E158	L137-D139 VanDerWaalsContact C-N 3.31Å; L137-D139 PolarHBondContact O-N 3.44Å; L137-A140 PolarHBondContact O-N 2.9Å; L137-A141 PolarHBondContact O-N 2.86Å; L137-Q157 HydrophobicContact CD2-CB 4.19Å; L137-E158 HydrophobicContact CD1-CB 4.39Å; L137-E158 HydrophobicContact CD1-CG 3.18Å
138	A	81.2	Confident	84.2	Confident	69 Å²	69	52.1 Å²	52.1	57%	0.57	29%	0.292	S	S	*	.	H	α-helix	trans	-61.8	-38.1	174.3	0	0	0	0	0	112.3	Q136 K142	Q136-A138 PolarHBondContact O-N 3.23Å; Q136-A138 VanDerWaalsContact O-N 3.16Å; A138-K142 PolarHBondContact O-N 3.28Å
139	D	83	Confident	83.6	Confident	48 Å²	48	53.8 Å²	53.8	26%	0.257	30%	0.298	S	S	.	.	H	α-helix	trans	-80.1	-32.8	177.8	-62.9	-39.1	0	0	0	112	L135 Q136 L137 A141 K142	L135-D139 HydrophobicContact CD1-CB 3.76Å; L135-D139 HydrophobicContact CG-CB 4.1Å; Q136-D139 PolarHBondContact O-N 2.94Å; L137-D139 VanDerWaalsContact C-N 3.31Å; L137-D139 PolarHBondContact O-N 3.44Å; D139-A141 VanDerWaalsContact C-N 3.26Å; D139-A141 PolarHBondContact O-N 2.64Å; D139-K142 WeakPolarHBondContact O-CB 3.38Å; D139-K142 PolarHBondContact O-N 3.43Å; D139-K142 VanDerWaalsContact O-N 3.16Å; D139-K142 IonicContact OD1-NZ 3.48Å; D139-K142 PolarHBondContact OD1-NZ 3.45Å
140	A	81.3	Confident	83.2	Confident	5 Å²	5	56.4 Å²	56.4	4%	0.041	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-38.4	171	0	0	0	0	0	111.7	R16 L135 Q136 L137 K142 R143	R16-A140 WeakPolarHBondContact CD-O 3.47Å; L135-A140 HydrophobicContact CD2-CB 3.81Å; L135-A140 HydrophobicContact CG-CB 4.35Å; Q136-A140 PolarHBondContact O-N 2.9Å; L137-A140 PolarHBondContact O-N 2.9Å; A140-K142 VanDerWaalsContact C-N 3.31Å; A140-K142 PolarHBondContact O-N 2.79Å; A140-R143 PolarHBondContact O-N 2.93Å
141	A	78.7	Confident	82.7	Confident	53 Å²	53	57.1 Å²	57.1	44%	0.438	31%	0.311	S	S	.	.	H	α-helix	trans	-67.8	-27.4	176.4	0	0	0	0	0	113.4	L137 D139 R143	L137-A141 PolarHBondContact O-N 2.86Å; D139-A141 VanDerWaalsContact C-N 3.26Å; D139-A141 PolarHBondContact O-N 2.64Å; A141-R143 PolarHBondContact O-N 2.89Å
142	K	81.8	Confident	82	Confident	161 Å²	161	59 Å²	59	70%	0.7	32%	0.32	S	S	*	.	H	α-helix	trans	-70.2	-20.3	174.7	-65.7	171.2	-169.8	162.8	0	112.7	A138 D139 A140 G144	A138-K142 PolarHBondContact O-N 3.28Å; D139-K142 WeakPolarHBondContact O-CB 3.38Å; D139-K142 PolarHBondContact O-N 3.43Å; D139-K142 VanDerWaalsContact O-N 3.16Å; D139-K142 IonicContact OD1-NZ 3.48Å; D139-K142 PolarHBondContact OD1-NZ 3.45Å; A140-K142 VanDerWaalsContact C-N 3.31Å; A140-K142 PolarHBondContact O-N 2.79Å; K142-G144 PolarHBondContact O-N 3.45Å
143	R	80.6	Confident	81.5	Confident	110 Å²	110	62.2 Å²	62.2	42%	0.415	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	17	179.3	-63.2	179.9	177.4	-179	-0.7	113.4	R16 A17 A140 A141 A180	R16-R143 HydrophobicContact CB-CB 4.31Å; R16-R143 WeakPolarHBondContact O-CD 3.4Å; R16-R143 PolarHBondContact O-NH1 2.85Å; A17-R143 PolarHBondContact O-NH1 3.1Å; A140-R143 PolarHBondContact O-N 2.93Å; A141-R143 PolarHBondContact O-N 2.89Å; R143-A180 PolarHBondContact NH2-O 3.31Å
144	G	68.9	Low	80.9	Confident	34 Å²	34	69.9 Å²	69.9	35%	0.351	37%	0.366	S	S	.	.			trans	125.2	161.4	178.8	0	0	0	0	0	112.5	R16 K142	R16-G144 PolarHBondContact NH1-O 3.48Å; K142-G144 PolarHBondContact O-N 3.45Å
145	A	64.9	Low	80.8	Confident	91 Å²	91	69.6 Å²	69.6	75%	0.752	37%	0.374	S	S	*	.			trans	-72.2	143.6	171.4	0	0	0	0	0	110.2	R16 G147	R16-A145 VanDerWaalsContact CZ-C 3.49Å; R16-A145 PolarHBondContact NH1-O 3.4Å; R16-A145 VanDerWaalsContact NH2-C 3.3Å; R16-A145 PolarHBondContact NH2-O 2.85Å; A145-G147 PolarHBondContact O-N 2.8Å
146	Y	67	Low	81	Confident	65 Å²	65	69.7 Å²	69.7	26%	0.255	37%	0.374	S	S	.	.			trans	-45.4	133.8	174.6	-78.9	-65.5	0	0	0	110.5	R16 E152 R154 Q157	R16-Y146 VanDerWaalsContact NH1-CA 3.31Å; Y146-E152 WeakPolarHBondContact CB-O 3.47Å; Y146-E152 VanDerWaalsContact CD1-C 3.48Å; Y146-E152 HydrophobicContact CD1-CB 3.73Å; Y146-E152 HydrophobicContact CD1-CG 4.49Å; Y146-E152 WeakPolarHBondContact CD1-O 3.22Å; Y146-E152 HydrophobicContact CG-CB 4.23Å; Y146-R154 HydrophobicContact CE2-CB 4.17Å; Y146-Q157 HydrophobicContact CE1-CG 4.18Å
147	G	68.6	Low	81.3	Confident	30 Å²	30	63.9 Å²	63.9	31%	0.309	35%	0.347	S	S	.	.			trans	-73.2	-161.6	178.8	0	0	0	0	0	111.1	R16 A145 E152	R16-G147 VanDerWaalsContact NH2-N 3.18Å; A145-G147 PolarHBondContact O-N 2.8Å; G147-E152 WeakPolarHBondContact CA-OE2 3.31Å; G147-E152 PolarHBondContact N-OE1 3.16Å; G147-E152 PolarHBondContact N-OE2 3.45Å; G147-E152 VanDerWaalsContact N-OE2 3.1Å
148	H	77.6	Confident	82	Confident	171 Å²	171	66.1 Å²	66.1	79%	0.792	36%	0.357	S	S	*	.	S	Bend	trans	-95.5	-0.1	-177.1	-58.4	-59.1	0	0	0	113.4	K59 E152	K59-H148 WeakPolarHBondContact CD-O 3.5Å; K59-H148 WeakPolarHBondContact CE-O 3.37Å; K59-H148 PolarHBondContact NZ-O 3.2Å; H148-E152 PolarHBondContact N-OE2 3.38Å
149	E	85.2	Confident	82.7	Confident	65 Å²	65	68 Å²	68	30%	0.304	35%	0.349	S	S	.	.	S	Bend	trans	-70.4	157.7	-179.2	-66.9	-163.7	160	0	0	111.9	R45 L57 K59 Y151 E152	R45-E149 IonicContact CZ-OE1 2.69Å; R45-E149 IonicContact NH1-OE1 2.75Å; R45-E149 PolarHBondContact NH1-OE1 2.8Å; R45-E149 IonicContact NH2-OE1 3.29Å; R45-E149 PolarHBondContact NH2-OE1 3.5Å; R45-E149 IonicContact NH2-OE2 3.79Å; L57-E149 CarbonylContact O-C 3.53Å; L57-E149 VanDerWaalsContact O-CA 3.28Å; L57-E149 WeakPolarHBondContact O-CA 3.48Å; K59-E149 PolarHBondContact NZ-O 2.69Å; E149-Y151 VanDerWaalsContact C-N 3.29Å; E149-Y151 PolarHBondContact O-N 3.16Å; E149-E152 HydrophobicContact CB-CG 4.08Å; E149-E152 WeakPolarHBondContact CB-OE2 3.36Å; E149-E152 PolarHBondContact N-OE2 2.96Å; E149-E152 PolarHBondContact O-N 3.4Å
150	R	90.5	Very high	83.3	Confident	57 Å²	57	65.7 Å²	65.7	22%	0.215	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.9	-168	-167.7	174.6	-73.3	-97.4	1.7	115	Y56 L57 K59 S61 D62	Y56-R150 PolarHBondContact O-NE 3.35Å; Y56-R150 PolarHBondContact O-NH2 3.32Å; Y56-R150 WeakPolarHBondContact OH-CD 3.35Å; L57-R150 PolarHBondContact O-N 3.39Å; K59-R150 VanDerWaalsContact CE-CA 3.45Å; K59-R150 HydrophobicContact CG-CB 4.31Å; S61-R150 PolarHBondContact O-NH2 3.4Å; D62-R150 IonicContact OD1-CZ 3Å; D62-R150 VanDerWaalsContact OD1-CZ 3.29Å; D62-R150 IonicContact OD1-NH1 3.35Å; D62-R150 PolarHBondContact OD1-NH1 3.24Å; D62-R150 IonicContact OD1-NH2 2.89Å; D62-R150 PolarHBondContact OD1-NH2 3.41Å
151	Y	89.1	Confident	83.9	Confident	16 Å²	16	66.6 Å²	66.6	6%	0.063	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	5.3	-171.3	-56.9	-49.7	0	0	0	114.3	Y56 L57 F105 K109 E149 N153 F156 Q157	Y56-Y151 HydrophobicContact CE1-CE2 4.09Å; Y56-Y151 AromaticContact CE1-CZ 3.82Å; Y56-Y151 VanDerWaalsContact CE1-OH 3.29Å; Y56-Y151 WeakPolarHBondContact CE1-OH 3.39Å; Y56-Y151 PolarHBondContact OH-OH 3.42Å; L57-Y151 HydrophobicContact CD2-CD2 3.81Å; L57-Y151 HydrophobicContact CD2-CE2 3.78Å; F105-Y151 AromaticContact CD1-CD2 3.59Å; F105-Y151 HydrophobicContact CD1-CD2 3.59Å; F105-Y151 HydrophobicContact CD1-CE2 4.22Å; F105-Y151 AromaticContact CD1-CG 3.86Å; F105-Y151 HydrophobicContact CD1-CG 3.86Å; F105-Y151 HydrophobicContact CE1-CD2 4.11Å; F105-Y151 HydrophobicContact CE1-CG 4.27Å; K109-Y151 VanDerWaalsContact CE-OH 3.32Å; K109-Y151 WeakPolarHBondContact CE-OH 3.43Å; K109-Y151 PolarHBondContact NZ-OH 3.31Å; K109-Y151 VanDerWaalsContact NZ-OH 3.14Å; E149-Y151 VanDerWaalsContact C-N 3.29Å; E149-Y151 PolarHBondContact O-N 3.16Å; Y151-N153 PolarHBondContact O-N 3.01Å; Y151-F156 HydrophobicContact CD1-CD1 4.04Å; Y151-F156 HydrophobicContact CD1-CD2 4.36Å; Y151-F156 AromaticContact CD1-CE1 3.47Å; Y151-F156 HydrophobicContact CD1-CE1 3.47Å; Y151-F156 VanDerWaalsContact CD1-CE1 3.47Å; Y151-F156 AromaticContact CD1-CE2 3.82Å; Y151-F156 HydrophobicContact CD1-CE2 3.82Å; Y151-F156 HydrophobicContact CD1-CG 4.45Å; Y151-F156 AromaticContact CD1-CZ 3.32Å; Y151-F156 HydrophobicContact CD1-CZ 3.32Å; Y151-F156 HydrophobicContact CE1-CE1 4.22Å; Y151-F156 HydrophobicContact CE1-CE2 4.05Å; Y151-F156 AromaticContact CE1-CZ 3.63Å; Y151-F156 HydrophobicContact CE1-CZ 3.63Å; Y151-F156 HydrophobicContact CG-CD1 4.22Å; Y151-F156 AromaticContact CG-CE1 3.64Å; Y151-F156 HydrophobicContact CG-CE1 3.64Å; Y151-F156 AromaticContact CG-CZ 3.93Å; Y151-F156 HydrophobicContact CG-CZ 3.93Å; Y151-Q157 PolarHBondContact O-NE2 3.49Å
152	E	83.7	Confident	84.8	Confident	40 Å²	40	69.4 Å²	69.4	19%	0.187	35%	0.345	C	S	.	.			trans	-80.4	62.2	-179.6	-67.1	-171.4	114.8	0	0	110.8	R16 Y146 G147 H148 E149	R16-E152 IonicContact NH2-OE1 2.87Å; Y146-E152 WeakPolarHBondContact CB-O 3.47Å; Y146-E152 VanDerWaalsContact CD1-C 3.48Å; Y146-E152 HydrophobicContact CD1-CB 3.73Å; Y146-E152 HydrophobicContact CD1-CG 4.49Å; Y146-E152 WeakPolarHBondContact CD1-O 3.22Å; Y146-E152 HydrophobicContact CG-CB 4.23Å; G147-E152 WeakPolarHBondContact CA-OE2 3.31Å; G147-E152 PolarHBondContact N-OE1 3.16Å; G147-E152 PolarHBondContact N-OE2 3.45Å; G147-E152 VanDerWaalsContact N-OE2 3.1Å; H148-E152 PolarHBondContact N-OE2 3.38Å; E149-E152 HydrophobicContact CB-CG 4.08Å; E149-E152 WeakPolarHBondContact CB-OE2 3.36Å; E149-E152 PolarHBondContact N-OE2 2.96Å; E149-E152 PolarHBondContact O-N 3.4Å
153	N	86.8	Confident	85.5	Confident	67 Å²	67	62.3 Å²	62.3	36%	0.358	32%	0.315	S	S	.	.	S	Bend	trans	-139.5	147.3	170.8	73.8	82.2	0	0	0	111.3	Y151 A155 F156 Q157	Y151-N153 PolarHBondContact O-N 3.01Å; N153-A155 PolarHBondContact O-N 3.46Å; N153-F156 VanDerWaalsContact ND2-CB 3.35Å; N153-F156 WeakPolarHBondContact ND2-CB 3.26Å; N153-F156 PolarHBondContact O-N 2.92Å; N153-F156 WeakPolarHBondContact OD1-CB 3.2Å; N153-F156 PolarHBondContact OD1-N 3.03Å; N153-Q157 WeakPolarHBondContact O-CG 3.32Å; N153-Q157 PolarHBondContact O-N 2.91Å
154	R	86.2	Confident	86.4	Confident	162 Å²	162	57 Å²	57	61%	0.611	30%	0.296	S	S	*	.	H	α-helix	trans	-58.1	-50.3	-171	-177.2	178.6	172.3	175.5	1.3	113.5	Y146 F156 Q157 E158	Y146-R154 HydrophobicContact CE2-CB 4.17Å; R154-F156 VanDerWaalsContact C-N 3.31Å; R154-F156 PolarHBondContact O-N 3.14Å; R154-Q157 PolarHBondContact O-N 3.04Å; R154-E158 WeakPolarHBondContact CG-OE1 3.33Å; R154-E158 IonicContact CZ-OE1 3.66Å; R154-E158 IonicContact NE-OE1 2.79Å; R154-E158 PolarHBondContact NE-OE1 3.28Å; R154-E158 IonicContact NH2-OE1 3.57Å; R154-E158 PolarHBondContact NH2-OE1 3.47Å; R154-E158 WeakPolarHBondContact O-CG 3.32Å; R154-E158 PolarHBondContact O-N 3.45Å
155	A	91	Very high	87.7	Confident	57 Å²	57	59 Å²	59	47%	0.471	29%	0.293	S	S	.	.	H	α-helix	trans	-63.4	-37.2	-175.9	0	0	0	0	0	112.2	N153 R159	N153-A155 PolarHBondContact O-N 3.46Å; A155-R159 PolarHBondContact O-N 3.24Å
156	F	92.4	Very high	89.3	Confident	12 Å²	12	59.7 Å²	59.7	5%	0.053	28%	0.281	C	S	.	.	H	α-helix	trans	-68	-43.5	174.4	-172.3	-87.7	0	0	0	111.9	F105 A108 K109 Y151 N153 R154 E158 R159 A160	F105-F156 HydrophobicContact CB-CE1 4.4Å; F105-F156 HydrophobicContact CB-CZ 4.44Å; F105-F156 AromaticContact CD1-CE1 3.68Å; F105-F156 HydrophobicContact CD1-CE1 3.68Å; F105-F156 HydrophobicContact CD1-CZ 4.4Å; F105-F156 HydrophobicContact CE1-CE1 4.27Å; F105-F156 HydrophobicContact CG-CE1 4.26Å; F105-F156 WeakPolarHBondContact O-CZ 3.45Å; A108-F156 HydrophobicContact CB-CD2 4.39Å; A108-F156 HydrophobicContact CB-CE1 4.27Å; A108-F156 HydrophobicContact CB-CE2 3.96Å; A108-F156 HydrophobicContact CB-CZ 3.91Å; K109-F156 HydrophobicContact CG-CE2 4.04Å; Y151-F156 HydrophobicContact CD1-CD1 4.04Å; Y151-F156 HydrophobicContact CD1-CD2 4.36Å; Y151-F156 AromaticContact CD1-CE1 3.47Å; Y151-F156 HydrophobicContact CD1-CE1 3.47Å; Y151-F156 VanDerWaalsContact CD1-CE1 3.47Å; Y151-F156 AromaticContact CD1-CE2 3.82Å; Y151-F156 HydrophobicContact CD1-CE2 3.82Å; Y151-F156 HydrophobicContact CD1-CG 4.45Å; Y151-F156 AromaticContact CD1-CZ 3.32Å; Y151-F156 HydrophobicContact CD1-CZ 3.32Å; Y151-F156 HydrophobicContact CE1-CE1 4.22Å; Y151-F156 HydrophobicContact CE1-CE2 4.05Å; Y151-F156 AromaticContact CE1-CZ 3.63Å; Y151-F156 HydrophobicContact CE1-CZ 3.63Å; Y151-F156 HydrophobicContact CG-CD1 4.22Å; Y151-F156 AromaticContact CG-CE1 3.64Å; Y151-F156 HydrophobicContact CG-CE1 3.64Å; Y151-F156 AromaticContact CG-CZ 3.93Å; Y151-F156 HydrophobicContact CG-CZ 3.93Å; N153-F156 VanDerWaalsContact ND2-CB 3.35Å; N153-F156 WeakPolarHBondContact ND2-CB 3.26Å; N153-F156 PolarHBondContact O-N 2.92Å; N153-F156 WeakPolarHBondContact OD1-CB 3.2Å; N153-F156 PolarHBondContact OD1-N 3.03Å; R154-F156 VanDerWaalsContact C-N 3.31Å; R154-F156 PolarHBondContact O-N 3.14Å; F156-E158 VanDerWaalsContact C-N 3.33Å; F156-E158 PolarHBondContact O-N 3.06Å; F156-R159 PolarHBondContact O-N 3.12Å; F156-A160 PolarHBondContact O-N 2.81Å
157	Q	90.9	Very high	90.7	Very high	1 Å²	1	57 Å²	57	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-39.1	177.7	-63.8	-78.1	-50.9	0	0	111.1	M14 D15 L137 Y146 Y151 N153 R154 R159 A160 L161	M14-Q157 HydrophobicContact CE-CB 3.58Å; M14-Q157 HydrophobicContact CE-CG 4.3Å; M14-Q157 WeakPolarHBondContact CE-O 3.27Å; M14-Q157 VanDerWaalsContact CE-OE1 3.23Å; D15-Q157 PolarHBondContact OD2-NE2 3.16Å; L137-Q157 HydrophobicContact CD2-CB 4.19Å; Y146-Q157 HydrophobicContact CE1-CG 4.18Å; Y151-Q157 PolarHBondContact O-NE2 3.49Å; N153-Q157 WeakPolarHBondContact O-CG 3.32Å; N153-Q157 PolarHBondContact O-N 2.91Å; R154-Q157 PolarHBondContact O-N 3.04Å; Q157-R159 PolarHBondContact O-N 3.43Å; Q157-A160 PolarHBondContact O-N 2.93Å; Q157-L161 WeakPolarHBondContact O-CB 3.32Å; Q157-L161 PolarHBondContact O-N 3.09Å
158	E	92.4	Very high	92.1	Very high	75 Å²	75	57.3 Å²	57.3	35%	0.35	26%	0.264	S	S	.	.	H	α-helix	trans	-58.3	-45.1	174	-76.3	172.2	-176.4	0	0	112	L137 R154 F156 L161 Q162	L137-E158 HydrophobicContact CD1-CB 4.39Å; L137-E158 HydrophobicContact CD1-CG 3.18Å; R154-E158 WeakPolarHBondContact CG-OE1 3.33Å; R154-E158 IonicContact CZ-OE1 3.66Å; R154-E158 IonicContact NE-OE1 2.79Å; R154-E158 PolarHBondContact NE-OE1 3.28Å; R154-E158 IonicContact NH2-OE1 3.57Å; R154-E158 PolarHBondContact NH2-OE1 3.47Å; R154-E158 WeakPolarHBondContact O-CG 3.32Å; R154-E158 PolarHBondContact O-N 3.45Å; F156-E158 VanDerWaalsContact C-N 3.33Å; F156-E158 PolarHBondContact O-N 3.06Å; E158-L161 PolarHBondContact O-N 3.29Å; E158-Q162 WeakPolarHBondContact O-CG 3.19Å; E158-Q162 PolarHBondContact O-N 3.23Å
159	R	95.3	Very high	93.1	Very high	108 Å²	108	58.5 Å²	58.5	41%	0.408	26%	0.262	S	S	.	.	H	α-helix	trans	-64.6	-46.4	175.9	-71.1	-173.7	-70	172	-6.4	112.3	A108 A155 F156 Q157 L161 Q162 C163	A108-R159 HydrophobicContact CB-CB 3.8Å; A108-R159 WeakPolarHBondContact O-CD 3.46Å; A108-R159 PolarHBondContact O-NE 2.92Å; A108-R159 PolarHBondContact O-NH1 3.39Å; A155-R159 PolarHBondContact O-N 3.24Å; F156-R159 PolarHBondContact O-N 3.12Å; Q157-R159 PolarHBondContact O-N 3.43Å; R159-L161 VanDerWaalsContact C-N 3.28Å; R159-L161 PolarHBondContact O-N 3.19Å; R159-Q162 WeakPolarHBondContact O-CB 3.22Å; R159-Q162 PolarHBondContact O-N 3.27Å; R159-Q162 VanDerWaalsContact O-N 3.11Å; R159-C163 PolarHBondContact O-N 2.92Å; R159-C163 PolarHBondContact O-SG 3.15Å
160	A	96.1	Very high	93.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-36.6	178	0	0	0	0	0	112.3	M14 A108 F156 Q157 Q162 C163 F164	M14-A160 HydrophobicContact CE-CB 4.36Å; A108-A160 HydrophobicContact CB-CB 3.98Å; F156-A160 PolarHBondContact O-N 2.81Å; Q157-A160 PolarHBondContact O-N 2.93Å; A160-Q162 VanDerWaalsContact C-N 3.33Å; A160-Q162 PolarHBondContact O-N 3.42Å; A160-C163 WeakPolarHBondContact O-CB 3.38Å; A160-C163 PolarHBondContact O-N 3.31Å; A160-F164 VanDerWaalsContact O-CD2 3.3Å; A160-F164 WeakPolarHBondContact O-CD2 3.16Å; A160-F164 PolarHBondContact O-N 2.93Å
161	L	95.3	Very high	93.9	Very high	23 Å²	23	61 Å²	61	12%	0.12	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-40.1	174.7	-178.9	59.7	0	0	0	112	M14 F132 Q157 E158 R159 C163 F164 Y165	M14-L161 HydrophobicContact CE-CB 4.03Å; M14-L161 HydrophobicContact CG-CD1 4.05Å; M14-L161 HydrophobicContact SD-CB 3.75Å; M14-L161 HydrophobicContact SD-CD1 3.85Å; M14-L161 HydrophobicContact SD-CG 4.34Å; F132-L161 HydrophobicContact CE1-CD1 4.25Å; F132-L161 HydrophobicContact CZ-CD1 3.76Å; Q157-L161 WeakPolarHBondContact O-CB 3.32Å; Q157-L161 PolarHBondContact O-N 3.09Å; E158-L161 PolarHBondContact O-N 3.29Å; R159-L161 VanDerWaalsContact C-N 3.28Å; R159-L161 PolarHBondContact O-N 3.19Å; L161-C163 VanDerWaalsContact C-N 3.31Å; L161-C163 PolarHBondContact O-N 2.95Å; L161-F164 WeakPolarHBondContact O-CB 3.19Å; L161-F164 PolarHBondContact O-N 3.46Å; L161-Y165 HydrophobicContact CD1-CE1 4.21Å; L161-Y165 HydrophobicContact CD1-CE2 3.97Å; L161-Y165 HydrophobicContact CD2-CE2 4.06Å; L161-Y165 HydrophobicContact CG-CD2 4.21Å; L161-Y165 HydrophobicContact CG-CE2 3.65Å; L161-Y165 WeakPolarHBondContact O-CD2 3.18Å; L161-Y165 PolarHBondContact O-N 2.99Å
162	Q	96.3	Very high	94.2	Very high	112 Å²	112	64 Å²	64	52%	0.523	31%	0.307	S	S	.	.	H	α-helix	trans	-62.4	-40.2	174.7	-62.1	-54.5	-39.8	0	0	111.7	E158 R159 A160 Y165 Q166	E158-Q162 WeakPolarHBondContact O-CG 3.19Å; E158-Q162 PolarHBondContact O-N 3.23Å; R159-Q162 WeakPolarHBondContact O-CB 3.22Å; R159-Q162 PolarHBondContact O-N 3.27Å; R159-Q162 VanDerWaalsContact O-N 3.11Å; A160-Q162 VanDerWaalsContact C-N 3.33Å; A160-Q162 PolarHBondContact O-N 3.42Å; Q162-Y165 PolarHBondContact O-N 2.81Å; Q162-Q166 PolarHBondContact O-N 3.38Å; Q162-Q166 VanDerWaalsContact O-N 3.09Å
163	C	97.8	Very high	94.9	Very high	12 Å²	12	62.7 Å²	62.7	8%	0.081	30%	0.301	C	S	.	.	H	α-helix	trans	-62.3	-42.4	174.5	-59.7	0	0	0	0	111.8	A104 G107 L114 R159 A160 L161 Y165 Q166 L167	A104-C163 HydrophobicContact CB-CB 3.97Å; G107-C163 VanDerWaalsContact C-SG 3.52Å; L114-C163 HydrophobicContact CD2-CB 4Å; R159-C163 PolarHBondContact O-N 2.92Å; R159-C163 PolarHBondContact O-SG 3.15Å; A160-C163 WeakPolarHBondContact O-CB 3.38Å; A160-C163 PolarHBondContact O-N 3.31Å; L161-C163 VanDerWaalsContact C-N 3.31Å; L161-C163 PolarHBondContact O-N 2.95Å; C163-Y165 VanDerWaalsContact C-N 3.35Å; C163-Y165 PolarHBondContact O-N 2.89Å; C163-Q166 PolarHBondContact O-N 3.25Å; C163-Q166 VanDerWaalsContact O-N 3.16Å; C163-L167 WeakPolarHBondContact O-CG 3.39Å; C163-L167 PolarHBondContact O-N 3.18Å
164	F	97.7	Very high	95.5	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.8	-43.9	173.5	-83.3	-65.3	0	0	0	112.4	E12 M14 F100 A104 F105 F132 A160 L161 Q166 L167 M168	E12-F164 HydrophobicContact CB-CE1 4.17Å; E12-F164 HydrophobicContact CG-CE1 4.23Å; M14-F164 HydrophobicContact SD-CD2 4.05Å; M14-F164 HydrophobicContact SD-CE2 4.25Å; F100-F164 HydrophobicContact CB-CD1 4.4Å; F100-F164 HydrophobicContact CB-CE1 3.84Å; A104-F164 HydrophobicContact CB-CD1 4Å; A104-F164 HydrophobicContact CB-CD2 3.59Å; A104-F164 HydrophobicContact CB-CE1 3.92Å; A104-F164 HydrophobicContact CB-CE2 3.51Å; A104-F164 HydrophobicContact CB-CG 3.84Å; A104-F164 HydrophobicContact CB-CZ 3.69Å; F105-F164 HydrophobicContact CE2-CE2 4.19Å; F105-F164 HydrophobicContact CE2-CZ 4.47Å; F132-F164 HydrophobicContact CD2-CD1 4.3Å; F132-F164 HydrophobicContact CE2-CB 3.82Å; F132-F164 AromaticContact CE2-CD1 3.8Å; F132-F164 HydrophobicContact CE2-CD1 3.8Å; F132-F164 AromaticContact CE2-CD2 3.98Å; F132-F164 HydrophobicContact CE2-CD2 3.98Å; F132-F164 HydrophobicContact CE2-CE1 4.31Å; F132-F164 HydrophobicContact CE2-CE2 4.47Å; F132-F164 AromaticContact CE2-CG 3.62Å; F132-F164 HydrophobicContact CE2-CG 3.62Å; F132-F164 HydrophobicContact CZ-CB 4.18Å; F132-F164 HydrophobicContact CZ-CD2 4.49Å; F132-F164 HydrophobicContact CZ-CG 4.31Å; A160-F164 VanDerWaalsContact O-CD2 3.3Å; A160-F164 WeakPolarHBondContact O-CD2 3.16Å; A160-F164 PolarHBondContact O-N 2.93Å; L161-F164 WeakPolarHBondContact O-CB 3.19Å; L161-F164 PolarHBondContact O-N 3.46Å; F164-Q166 VanDerWaalsContact C-N 3.26Å; F164-Q166 PolarHBondContact O-N 3Å; F164-L167 HydrophobicContact CD1-CD1 4.46Å; F164-L167 WeakPolarHBondContact O-CB 3.5Å; F164-L167 PolarHBondContact O-N 3.04Å; F164-L167 VanDerWaalsContact O-N 3.09Å; F164-M168 HydrophobicContact CB-CE 4.21Å; F164-M168 WeakPolarHBondContact O-CG 3.35Å; F164-M168 PolarHBondContact O-N 2.94Å
165	Y	96.9	Very high	96	Very high	75 Å²	75	56.3 Å²	56.3	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-62.5	-32.5	176.2	-69.8	-38.5	0	0	0	113.2	Q134 L161 Q162 C163 M168	Q134-Y165 PolarHBondContact NE2-OH 3.25Å; L161-Y165 HydrophobicContact CD1-CE1 4.21Å; L161-Y165 HydrophobicContact CD1-CE2 3.97Å; L161-Y165 HydrophobicContact CD2-CE2 4.06Å; L161-Y165 HydrophobicContact CG-CD2 4.21Å; L161-Y165 HydrophobicContact CG-CE2 3.65Å; L161-Y165 WeakPolarHBondContact O-CD2 3.18Å; L161-Y165 PolarHBondContact O-N 2.99Å; Q162-Y165 PolarHBondContact O-N 2.81Å; C163-Y165 VanDerWaalsContact C-N 3.35Å; C163-Y165 PolarHBondContact O-N 2.89Å; Y165-M168 HydrophobicContact CD1-CE 4.49Å; Y165-M168 HydrophobicContact CD1-SD 3.83Å; Y165-M168 HydrophobicContact CE1-SD 4.36Å
166	Q	97.9	Very high	96.4	Very high	106 Å²	106	57.7 Å²	57.7	50%	0.495	27%	0.272	S	S	.	.	H	α-helix	trans	-68.8	-40.8	172.1	-67.3	-170.6	8	0	0	111.7	L114 Q162 C163 F164 M168 R169	L114-Q166 HydrophobicContact CD1-CB 3.58Å; L114-Q166 HydrophobicContact CD1-CG 4.32Å; Q162-Q166 PolarHBondContact O-N 3.38Å; Q162-Q166 VanDerWaalsContact O-N 3.09Å; C163-Q166 PolarHBondContact O-N 3.25Å; C163-Q166 VanDerWaalsContact O-N 3.16Å; F164-Q166 VanDerWaalsContact C-N 3.26Å; F164-Q166 PolarHBondContact O-N 3Å; Q166-M168 VanDerWaalsContact C-N 3.33Å; Q166-M168 PolarHBondContact O-N 3.37Å; Q166-R169 WeakPolarHBondContact O-CB 3.22Å; Q166-R169 PolarHBondContact O-N 3.34Å
167	L	97.9	Very high	96.6	Very high	7 Å²	7	61.1 Å²	61.1	4%	0.037	29%	0.289	C	S	.	.	H	α-helix	trans	-64.6	-34.8	176.8	-67.7	171.8	0	0	0	113.1	F100 V103 A104 K118 C163 F164 R169 D170 W175 W211	F100-L167 HydrophobicContact CB-CD1 4.2Å; V103-L167 HydrophobicContact CB-CD1 4.05Å; V103-L167 HydrophobicContact CG1-CD1 3.99Å; V103-L167 HydrophobicContact CG1-CD2 3.93Å; V103-L167 HydrophobicContact CG1-CG 4.37Å; A104-L167 HydrophobicContact CB-CD1 4.47Å; K118-L167 HydrophobicContact CD-CD2 4.34Å; K118-L167 HydrophobicContact CG-CD2 4.49Å; C163-L167 WeakPolarHBondContact O-CG 3.39Å; C163-L167 PolarHBondContact O-N 3.18Å; F164-L167 HydrophobicContact CD1-CD1 4.46Å; F164-L167 WeakPolarHBondContact O-CB 3.5Å; F164-L167 PolarHBondContact O-N 3.04Å; F164-L167 VanDerWaalsContact O-N 3.09Å; L167-R169 PolarHBondContact O-N 2.83Å; L167-D170 WeakPolarHBondContact O-CB 3.34Å; L167-D170 PolarHBondContact O-N 2.9Å; L167-D170 VanDerWaalsContact O-N 3.16Å; L167-W175 HydrophobicContact CB-CZ2 4.31Å; L167-W211 HydrophobicContact CD2-CZ2 4.09Å
168	M	97.6	Very high	97	Very high	38 Å²	38	61.2 Å²	61.2	19%	0.187	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-15	177.3	-70.8	169.7	-167.7	0	0	114	F132 F164 Y165 Q166 D170 W175 M177	F132-M168 HydrophobicContact CB-CE 3.66Å; F132-M168 HydrophobicContact CD1-CE 3.36Å; F132-M168 HydrophobicContact CD2-CE 3.14Å; F132-M168 HydrophobicContact CE1-CE 3.64Å; F132-M168 HydrophobicContact CE2-CE 3.44Å; F132-M168 VanDerWaalsContact CE2-CE 3.44Å; F132-M168 HydrophobicContact CG-CE 3.07Å; F132-M168 HydrophobicContact CZ-CE 3.67Å; F164-M168 HydrophobicContact CB-CE 4.21Å; F164-M168 WeakPolarHBondContact O-CG 3.35Å; F164-M168 PolarHBondContact O-N 2.94Å; Y165-M168 HydrophobicContact CD1-CE 4.49Å; Y165-M168 HydrophobicContact CD1-SD 3.83Å; Y165-M168 HydrophobicContact CE1-SD 4.36Å; Q166-M168 VanDerWaalsContact C-N 3.33Å; Q166-M168 PolarHBondContact O-N 3.37Å; M168-D170 PolarHBondContact O-N 2.62Å; M168-W175 HydrophobicContact CE-CE3 4.36Å; M168-W175 HydrophobicContact CE-CZ3 4.23Å; M168-W175 HydrophobicContact CG-CD2 3.88Å; M168-W175 HydrophobicContact CG-CE3 3.93Å; M168-W175 HydrophobicContact CG-CG 4.29Å; M168-W175 HydrophobicContact CG-CZ3 4.28Å; M168-M177 HydrophobicContact CE-SD 3.99Å; M168-M177 HydrophobicContact SD-CE 4.42Å; M168-M177 HydrophobicContact SD-SD 3.75Å
169	R	97.4	Very high	97.1	Very high	196 Å²	196	61 Å²	61	74%	0.74	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-14.2	174.8	-63.4	177.2	178.9	-175.7	-2.1	112.6	Q166 L167 T171	Q166-R169 WeakPolarHBondContact O-CB 3.22Å; Q166-R169 PolarHBondContact O-N 3.34Å; L167-R169 PolarHBondContact O-N 2.83Å; R169-T171 PolarHBondContact O-N 2.82Å; R169-T171 VanDerWaalsContact O-N 3.1Å
170	D	96.8	Very high	97.1	Very high	35 Å²	35	56 Å²	56	19%	0.187	27%	0.272	C	S	.	.			trans	-71.8	101	177.4	-171.2	-21.2	0	0	0	110.5	L167 M168 T172 L173 W211	L167-D170 WeakPolarHBondContact O-CB 3.34Å; L167-D170 PolarHBondContact O-N 2.9Å; L167-D170 VanDerWaalsContact O-N 3.16Å; M168-D170 PolarHBondContact O-N 2.62Å; D170-T172 PolarHBondContact O-N 2.67Å; D170-T172 VanDerWaalsContact OD1-CB 3.24Å; D170-T172 WeakPolarHBondContact OD1-CB 3.43Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.21Å; D170-T172 PolarHBondContact OD1-N 3.45Å; D170-T172 PolarHBondContact OD1-OG1 3.19Å; D170-L173 HydrophobicContact CB-CD1 4.2Å; D170-L173 PolarHBondContact O-N 3.42Å; D170-W211 VanDerWaalsContact OD2-CD1 3.27Å; D170-W211 PolarHBondContact OD2-NE1 2.83Å
171	T	96.1	Very high	97	Very high	140 Å²	140	59 Å²	59	86%	0.859	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-7.4	-179	58.5	0	0	0	0	113.4	R169 L173	R169-T171 PolarHBondContact O-N 2.82Å; R169-T171 VanDerWaalsContact O-N 3.1Å; T171-L173 PolarHBondContact O-N 3.12Å
172	T	96.5	Very high	96.9	Very high	78 Å²	78	62.1 Å²	62.1	48%	0.479	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-15	174.4	76.3	0	0	0	0	111.8	K126 D170	K126-T172 WeakPolarHBondContact CE-O 3.37Å; K126-T172 PolarHBondContact NZ-O 3.23Å; D170-T172 PolarHBondContact O-N 2.67Å; D170-T172 VanDerWaalsContact OD1-CB 3.24Å; D170-T172 WeakPolarHBondContact OD1-CB 3.43Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.21Å; D170-T172 PolarHBondContact OD1-N 3.45Å; D170-T172 PolarHBondContact OD1-OG1 3.19Å
173	L	98.1	Very high	96.9	Very high	13 Å²	13	60 Å²	60	7%	0.068	30%	0.304	C	S	.	.	S	Bend	trans	-107.5	139.3	-175.9	-65.9	170.3	0	0	0	111.5	F100 K126 I130 D170 T171 W175 L210	F100-L173 HydrophobicContact CE1-CD1 3.63Å; F100-L173 HydrophobicContact CZ-CD1 4.23Å; F100-L173 HydrophobicContact CZ-CD2 4.47Å; K126-L173 HydrophobicContact CG-CD2 4.12Å; I130-L173 HydrophobicContact CD1-CB 3.84Å; I130-L173 HydrophobicContact CD1-CD1 4.19Å; I130-L173 HydrophobicContact CD1-CD2 4.07Å; I130-L173 HydrophobicContact CD1-CG 4.26Å; D170-L173 HydrophobicContact CB-CD1 4.2Å; D170-L173 PolarHBondContact O-N 3.42Å; T171-L173 PolarHBondContact O-N 3.12Å; L173-W175 VanDerWaalsContact C-N 3.33Å; L173-W175 PolarHBondContact O-N 2.7Å; L173-L210 HydrophobicContact CD1-CD1 4.29Å; L173-L210 HydrophobicContact CD2-CD1 3.6Å
174	N	98	Very high	96.8	Very high	61 Å²	61	63.4 Å²	63.4	33%	0.326	32%	0.321	S	S	.	.			trans	-85.2	75.1	179.7	-175.8	21.2	0	0	0	111	D128 I130 K176	D128-N174 WeakPolarHBondContact O-CB 3.39Å; D128-N174 PolarHBondContact O-ND2 3.25Å; I130-N174 PolarHBondContact N-O 3.39Å; N174-K176 WeakPolarHBondContact OD1-CE 3.45Å
175	W	98.6	Very high	96.8	Very high	34 Å²	34	68.4 Å²	68.4	13%	0.129	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.2	174.4	-70.6	96.3	0	0	0	111.4	E12 F100 I130 F132 L167 M168 L173	E12-W175 HydrophobicContact CB-CZ3 4.35Å; F100-W175 HydrophobicContact CB-CH2 3.94Å; F100-W175 HydrophobicContact CB-CZ2 4.43Å; F100-W175 AromaticContact CD1-CH2 3.89Å; F100-W175 HydrophobicContact CD1-CH2 3.89Å; F100-W175 AromaticContact CD1-CZ2 3.56Å; F100-W175 HydrophobicContact CD1-CZ2 3.56Å; F100-W175 HydrophobicContact CD2-CH2 4.09Å; F100-W175 HydrophobicContact CD2-CZ2 4.41Å; F100-W175 HydrophobicContact CE1-CH2 4.5Å; F100-W175 AromaticContact CE1-CZ2 3.9Å; F100-W175 HydrophobicContact CE1-CZ2 3.9Å; F100-W175 AromaticContact CG-CH2 3.67Å; F100-W175 HydrophobicContact CG-CH2 3.67Å; F100-W175 AromaticContact CG-CZ2 3.86Å; F100-W175 HydrophobicContact CG-CZ2 3.86Å; F100-W175 HydrophobicContact CZ-CZ2 4.45Å; I130-W175 HydrophobicContact CB-CD2 4.07Å; I130-W175 HydrophobicContact CB-CE3 3.85Å; I130-W175 HydrophobicContact CB-CZ3 4.13Å; I130-W175 HydrophobicContact CD1-CD2 4.03Å; I130-W175 HydrophobicContact CD1-CG 4.45Å; I130-W175 HydrophobicContact CD1-CH2 4.47Å; I130-W175 HydrophobicContact CD1-CZ2 3.96Å; I130-W175 HydrophobicContact CG2-CD2 4.11Å; I130-W175 HydrophobicContact CG2-CE3 3.5Å; I130-W175 VanDerWaalsContact CG2-CE3 3.5Å; I130-W175 HydrophobicContact CG2-CH2 3.66Å; I130-W175 HydrophobicContact CG2-CZ2 4.24Å; I130-W175 HydrophobicContact CG2-CZ3 3.26Å; I130-W175 CarbonylContact O-C 3.56Å; I130-W175 WeakPolarHBondContact O-CA 3.12Å; F132-W175 HydrophobicContact CB-CE3 4.12Å; F132-W175 HydrophobicContact CB-CZ3 4.12Å; F132-W175 HydrophobicContact CD2-CZ3 4.19Å; L167-W175 HydrophobicContact CB-CZ2 4.31Å; M168-W175 HydrophobicContact CE-CE3 4.36Å; M168-W175 HydrophobicContact CE-CZ3 4.23Å; M168-W175 HydrophobicContact CG-CD2 3.88Å; M168-W175 HydrophobicContact CG-CE3 3.93Å; M168-W175 HydrophobicContact CG-CG 4.29Å; M168-W175 HydrophobicContact CG-CZ3 4.28Å; L173-W175 VanDerWaalsContact C-N 3.33Å; L173-W175 PolarHBondContact O-N 2.7Å
176	K	98.3	Very high	96.8	Very high	85 Å²	85	66.1 Å²	66.1	37%	0.37	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.3	169.7	-63.7	-64.2	179.3	-175.4	0	109.6	L129 I130 L131 F132 N174 L194	L129-K176 HydrophobicContact CD1-CB 3.98Å; L129-K176 HydrophobicContact CD1-CG 3.4Å; L129-K176 VanDerWaalsContact CD1-CG 3.4Å; I130-K176 PolarHBondContact O-N 3.23Å; L131-K176 WeakPolarHBondContact CA-O 3.21Å; L131-K176 HydrophobicContact CD2-CB 4.04Å; F132-K176 PolarHBondContact N-O 2.92Å; N174-K176 WeakPolarHBondContact OD1-CE 3.45Å; K176-L194 HydrophobicContact CB-CD1 3.99Å; K176-L194 HydrophobicContact CD-CD2 4.26Å; K176-L194 HydrophobicContact CG-CD1 4.43Å; K176-L194 HydrophobicContact CG-CD2 4.21Å
177	M	97.7	Very high	96.8	Very high	85 Å²	85	61.3 Å²	61.3	42%	0.419	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	130.3	175.2	-62.9	-60.7	-70.5	0	0	109.2	F132 Q134 M168	F132-M177 HydrophobicContact CB-SD 3.89Å; F132-M177 HydrophobicContact CD1-CE 3.62Å; F132-M177 HydrophobicContact CD1-SD 3.86Å; F132-M177 HydrophobicContact CE1-CE 4.19Å; F132-M177 HydrophobicContact CG-SD 4.23Å; Q134-M177 HydrophobicContact CB-CE 3.83Å; Q134-M177 HydrophobicContact CG-CE 4.13Å; M168-M177 HydrophobicContact CE-SD 3.99Å; M168-M177 HydrophobicContact SD-CE 4.42Å; M168-M177 HydrophobicContact SD-SD 3.75Å
178	V	97.6	Very high	96.8	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.018	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.2	175.5	-179.2	0	0	0	0	107.9	L131 F132 Q134 A180 V187 D190 I191 L194	L131-V178 HydrophobicContact CB-CG2 4.39Å; L131-V178 HydrophobicContact CD2-CG2 3.68Å; F132-V178 PolarHBondContact O-N 2.75Å; Q134-V178 PolarHBondContact N-O 3.34Å; V178-A180 PolarHBondContact O-N 2.97Å; V178-V187 HydrophobicContact CG1-CG1 3.91Å; V178-D190 HydrophobicContact CG1-CB 4.42Å; V178-I191 HydrophobicContact CG1-CD1 4.37Å; V178-I191 HydrophobicContact CG1-CG1 4.05Å; V178-I191 HydrophobicContact CG2-CG1 4.11Å; V178-L194 HydrophobicContact CG2-CD1 4.19Å
179	D	95.8	Very high	96.8	Very high	71 Å²	71	66.5 Å²	66.5	38%	0.38	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	99	173.7	174.8	13.3	0	0	0	109.6	S181 V187	D179-S181 PolarHBondContact O-N 3.2Å; D179-S181 VanDerWaalsContact OD1-CB 3.23Å; D179-S181 WeakPolarHBondContact OD1-CB 3.43Å; D179-S181 PolarHBondContact OD1-N 2.85Å; D179-S181 PolarHBondContact OD1-OG 3.39Å; D179-S181 PolarHBondContact OD2-OG 2.63Å; D179-V187 WeakPolarHBondContact O-CG2 3.15Å
180	A	94.7	Very high	96.8	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.008	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	6.5	-176.9	0	0	0	0	0	113.2	A17 L133 Q134 L135 R143 V178	A17-A180 WeakPolarHBondContact O-CB 3.29Å; L133-A180 HydrophobicContact CB-CB 3.85Å; L133-A180 HydrophobicContact CG-CB 4.25Å; Q134-A180 WeakPolarHBondContact O-CB 3.3Å; Q134-A180 PolarHBondContact O-N 2.87Å; L135-A180 HydrophobicContact CB-CB 4.38Å; R143-A180 PolarHBondContact NH2-O 3.31Å; V178-A180 PolarHBondContact O-N 2.97Å
181	S	93.3	Very high	96.9	Very high	65 Å²	65	58.2 Å²	58.2	46%	0.455	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-20.3	176.5	74.7	0	0	0	0	113.5	D179	D179-S181 PolarHBondContact O-N 3.2Å; D179-S181 VanDerWaalsContact OD1-CB 3.23Å; D179-S181 WeakPolarHBondContact OD1-CB 3.43Å; D179-S181 PolarHBondContact OD1-N 2.85Å; D179-S181 PolarHBondContact OD1-OG 3.39Å; D179-S181 PolarHBondContact OD2-OG 2.63Å
182	K	94.4	Very high	97	Very high	87 Å²	87	52.2 Å²	52.2	38%	0.378	28%	0.276	S	S	.	.	S	Bend	trans	-66.7	177.4	177.6	-52.1	175.6	-175.7	172.8	0	112.4	A186 V187 D190	K182-A186 HydrophobicContact CB-CB 3.96Å; K182-A186 HydrophobicContact CD-CB 4.18Å; K182-V187 HydrophobicContact CB-CG2 3.92Å; K182-D190 IonicContact NZ-OD1 3.61Å; K182-D190 IonicContact NZ-OD2 2.86Å; K182-D190 PolarHBondContact NZ-OD2 2.79Å
183	S	95.5	Very high	97	Very high	67 Å²	67	51.5 Å²	51.5	47%	0.469	28%	0.278	S	S	.	.			trans	-60.7	157.6	171.4	64.8	0	0	0	0	111.5	E185 A186 V187	S183-E185 PolarHBondContact O-N 3.16Å; S183-A186 PolarHBondContact O-N 3.14Å; S183-A186 WeakPolarHBondContact OG-CB 3.47Å; S183-A186 PolarHBondContact OG-N 2.69Å; S183-V187 VanDerWaalsContact O-CG2 3.32Å; S183-V187 WeakPolarHBondContact O-CG2 3.24Å; S183-V187 PolarHBondContact O-N 2.98Å
184	I	95.1	Very high	97	Very high	85 Å²	85	53.4 Å²	53.4	44%	0.436	29%	0.288	S	S	.	.	H	α-helix	trans	-55.9	-40.9	-179.7	-66.6	174.8	0	0	0	110.5	T21 Q22 K25 H188	T21-I184 HydrophobicContact CG2-CG2 4.09Å; Q22-I184 PolarHBondContact NE2-O 3.22Å; K25-I184 HydrophobicContact CD-CG2 3.78Å; I184-H188 VanDerWaalsContact O-CB 3.23Å; I184-H188 WeakPolarHBondContact O-CB 3.5Å; I184-H188 PolarHBondContact O-N 3.33Å
185	E	97.6	Very high	97	Very high	105 Å²	105	50.5 Å²	50.5	49%	0.491	27%	0.272	S	S	.	.	H	α-helix	trans	-67.7	-46.5	-178.6	-65.8	63.7	-140.5	0	0	111.3	S183 V187 H188 E189	S183-E185 PolarHBondContact O-N 3.16Å; E185-V187 PolarHBondContact O-N 3.16Å; E185-H188 WeakPolarHBondContact O-CB 3.13Å; E185-H188 PolarHBondContact O-N 2.76Å; E185-H188 VanDerWaalsContact O-N 3.14Å; E185-E189 WeakPolarHBondContact O-CG 3.42Å; E185-E189 PolarHBondContact O-N 2.98Å
186	A	97.4	Very high	96.9	Very high	27 Å²	27	53.3 Å²	53.3	22%	0.223	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-40.1	178.6	0	0	0	0	0	112	K182 S183 H188 E189 D190	K182-A186 HydrophobicContact CB-CB 3.96Å; K182-A186 HydrophobicContact CD-CB 4.18Å; S183-A186 PolarHBondContact O-N 3.14Å; S183-A186 WeakPolarHBondContact OG-CB 3.47Å; S183-A186 PolarHBondContact OG-N 2.69Å; A186-H188 VanDerWaalsContact C-N 3.28Å; A186-H188 PolarHBondContact O-N 2.58Å; A186-E189 PolarHBondContact O-N 2.6Å; A186-D190 PolarHBondContact O-N 3.43Å
187	V	97.7	Very high	96.8	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.024	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-38.9	173	176.2	0	0	0	0	110.8	Q22 V178 D179 K182 S183 E185 I191	Q22-V187 HydrophobicContact CG-CG1 3.96Å; V178-V187 HydrophobicContact CG1-CG1 3.91Å; D179-V187 WeakPolarHBondContact O-CG2 3.15Å; K182-V187 HydrophobicContact CB-CG2 3.92Å; S183-V187 VanDerWaalsContact O-CG2 3.32Å; S183-V187 WeakPolarHBondContact O-CG2 3.24Å; S183-V187 PolarHBondContact O-N 2.98Å; E185-V187 PolarHBondContact O-N 3.16Å; V187-I191 HydrophobicContact CG1-CD1 3.81Å; V187-I191 WeakPolarHBondContact O-CB 3.31Å; V187-I191 VanDerWaalsContact O-CG1 3.3Å; V187-I191 WeakPolarHBondContact O-CG1 3.25Å; V187-I191 PolarHBondContact O-N 3.37Å; V187-I191 VanDerWaalsContact O-N 3.07Å
188	H	98.3	Very high	96.8	Very high	20 Å²	20	48.7 Å²	48.7	9%	0.093	27%	0.268	C	S	.	.	H	α-helix	trans	-65.7	-43.7	179.3	-178.4	62.8	0	0	0	111.8	Q22 K25 T29 I184 E185 A186 I191 C192	Q22-H188 VanDerWaalsContact OE1-CA 3.3Å; Q22-H188 VanDerWaalsContact OE1-CB 3.27Å; K25-H188 WeakPolarHBondContact CB-ND1 3.47Å; K25-H188 PolarHBondContact O-CE1 3.01Å; K25-H188 VanDerWaalsContact O-CE1 3.28Å; T29-H188 PolarHBondContact OG1-CE1 3.12Å; T29-H188 VanDerWaalsContact OG1-CE1 3.29Å; T29-H188 PolarHBondContact OG1-NE2 3.37Å; I184-H188 VanDerWaalsContact O-CB 3.23Å; I184-H188 WeakPolarHBondContact O-CB 3.5Å; I184-H188 PolarHBondContact O-N 3.33Å; E185-H188 WeakPolarHBondContact O-CB 3.13Å; E185-H188 PolarHBondContact O-N 2.76Å; E185-H188 VanDerWaalsContact O-N 3.14Å; A186-H188 VanDerWaalsContact C-N 3.28Å; A186-H188 PolarHBondContact O-N 2.58Å; H188-I191 PolarHBondContact O-N 3.36Å; H188-C192 PolarHBondContact CE1-SG 3.41Å; H188-C192 PolarHBondContact NE2-SG 2.95Å; H188-C192 VanDerWaalsContact NE2-SG 3.38Å; H188-C192 WeakPolarHBondContact O-CB 2.89Å; H188-C192 PolarHBondContact O-N 3.36Å; H188-C192 PolarHBondContact O-SG 2.97Å; H188-C192 VanDerWaalsContact O-SG 3.35Å
189	E	97.9	Very high	96.7	Very high	134 Å²	134	49.4 Å²	49.4	63%	0.626	27%	0.272	S	S	*	.	H	α-helix	trans	-58.6	-47.3	175.4	-74.1	171.8	-172.3	0	0	111.9	E185 A186 I191 C192 A193	E185-E189 WeakPolarHBondContact O-CG 3.42Å; E185-E189 PolarHBondContact O-N 2.98Å; A186-E189 PolarHBondContact O-N 2.6Å; E189-I191 VanDerWaalsContact C-N 3.31Å; E189-I191 PolarHBondContact O-N 3.36Å; E189-C192 PolarHBondContact O-N 3.18Å; E189-A193 PolarHBondContact O-N 2.87Å
190	D	97.9	Very high	96.7	Very high	58 Å²	58	52.9 Å²	52.9	31%	0.31	28%	0.28	S	S	.	.	H	α-helix	trans	-57.6	-44.9	175.7	-73.6	-19.8	0	0	0	111.2	V178 K182 A186 L194	V178-D190 HydrophobicContact CG1-CB 4.42Å; K182-D190 IonicContact NZ-OD1 3.61Å; K182-D190 IonicContact NZ-OD2 2.86Å; K182-D190 PolarHBondContact NZ-OD2 2.79Å; A186-D190 PolarHBondContact O-N 3.43Å; D190-L194 WeakPolarHBondContact O-CG 3.31Å; D190-L194 PolarHBondContact O-N 3.19Å
191	I	98.4	Very high	96.7	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.3	-42.6	179.8	-75.1	172.3	0	0	0	111.7	L11 Q22 L26 L131 L133 V178 V187 H188 E189 L194 S195	L11-I191 HydrophobicContact CD2-CD1 4.25Å; Q22-I191 HydrophobicContact CB-CD1 3.64Å; Q22-I191 HydrophobicContact CG-CD1 3.72Å; L26-I191 HydrophobicContact CB-CG2 4.45Å; L26-I191 HydrophobicContact CD1-CG2 4.16Å; L26-I191 HydrophobicContact CD2-CG2 3.75Å; L26-I191 HydrophobicContact CG-CG2 4.34Å; L131-I191 HydrophobicContact CD1-CB 4.44Å; L131-I191 HydrophobicContact CD1-CG1 4.26Å; L131-I191 HydrophobicContact CD1-CG2 3.79Å; L133-I191 HydrophobicContact CD1-CD1 4.09Å; L133-I191 HydrophobicContact CD2-CD1 4.44Å; L133-I191 HydrophobicContact CG-CD1 4.43Å; V178-I191 HydrophobicContact CG1-CD1 4.37Å; V178-I191 HydrophobicContact CG1-CG1 4.05Å; V178-I191 HydrophobicContact CG2-CG1 4.11Å; V187-I191 HydrophobicContact CG1-CD1 3.81Å; V187-I191 WeakPolarHBondContact O-CB 3.31Å; V187-I191 VanDerWaalsContact O-CG1 3.3Å; V187-I191 WeakPolarHBondContact O-CG1 3.25Å; V187-I191 PolarHBondContact O-N 3.37Å; V187-I191 VanDerWaalsContact O-N 3.07Å; H188-I191 PolarHBondContact O-N 3.36Å; E189-I191 VanDerWaalsContact C-N 3.31Å; E189-I191 PolarHBondContact O-N 3.36Å; I191-L194 PolarHBondContact O-N 2.64Å; I191-S195 VanDerWaalsContact O-CB 3.26Å; I191-S195 WeakPolarHBondContact O-CB 3.45Å; I191-S195 PolarHBondContact O-N 3.35Å; I191-S195 PolarHBondContact O-OG 3.1Å
192	C	97.9	Very high	96.7	Very high	13 Å²	13	52 Å²	52	9%	0.088	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-49.4	178.1	-77.2	0	0	0	0	111.4	H188 E189 L194 S195 E196	H188-C192 PolarHBondContact CE1-SG 3.41Å; H188-C192 PolarHBondContact NE2-SG 2.95Å; H188-C192 VanDerWaalsContact NE2-SG 3.38Å; H188-C192 WeakPolarHBondContact O-CB 2.89Å; H188-C192 PolarHBondContact O-N 3.36Å; H188-C192 PolarHBondContact O-SG 2.97Å; H188-C192 VanDerWaalsContact O-SG 3.35Å; E189-C192 PolarHBondContact O-N 3.18Å; C192-L194 VanDerWaalsContact C-N 3.31Å; C192-L194 PolarHBondContact O-N 3.44Å; C192-S195 PolarHBondContact O-N 3.48Å; C192-E196 PolarHBondContact O-N 3.28Å
193	A	97.6	Very high	96.6	Very high	64 Å²	64	50.1 Å²	50.1	53%	0.529	27%	0.267	S	S	.	.	H	α-helix	trans	-57.9	-43.8	-179.2	0	0	0	0	0	112.2	E189 D197	E189-A193 PolarHBondContact O-N 2.87Å; A193-D197 PolarHBondContact O-N 3.33Å
194	L	98.3	Very high	96.5	Very high	52 Å²	52	53.6 Å²	53.6	27%	0.272	28%	0.276	S	S	.	.	H	α-helix	trans	-67.4	-37.7	176.3	-67.4	170.1	0	0	0	112.2	L129 L131 K176 V178 D190 I191 C192 A198	L129-L194 HydrophobicContact CD2-CB 4.2Å; L131-L194 HydrophobicContact CD2-CB 4.07Å; L131-L194 HydrophobicContact CD2-CD1 3.55Å; L131-L194 HydrophobicContact CD2-CG 4.47Å; K176-L194 HydrophobicContact CB-CD1 3.99Å; K176-L194 HydrophobicContact CD-CD2 4.26Å; K176-L194 HydrophobicContact CG-CD1 4.43Å; K176-L194 HydrophobicContact CG-CD2 4.21Å; V178-L194 HydrophobicContact CG2-CD1 4.19Å; D190-L194 WeakPolarHBondContact O-CG 3.31Å; D190-L194 PolarHBondContact O-N 3.19Å; I191-L194 PolarHBondContact O-N 2.64Å; C192-L194 VanDerWaalsContact C-N 3.31Å; C192-L194 PolarHBondContact O-N 3.44Å; L194-A198 PolarHBondContact O-N 3.34Å; L194-A198 VanDerWaalsContact O-N 3.14Å
195	S	98.1	Very high	96.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-70.4	-39.5	-178.1	-60.8	0	0	0	0	112.3	L26 I191 C192 D197 A198 I199	L26-S195 WeakPolarHBondContact CD2-OG 3.49Å; I191-S195 VanDerWaalsContact O-CB 3.26Å; I191-S195 WeakPolarHBondContact O-CB 3.45Å; I191-S195 PolarHBondContact O-N 3.35Å; I191-S195 PolarHBondContact O-OG 3.1Å; C192-S195 PolarHBondContact O-N 3.48Å; S195-D197 PolarHBondContact O-N 2.97Å; S195-A198 PolarHBondContact O-N 3.4Å; S195-I199 VanDerWaalsContact O-CG1 3.24Å; S195-I199 WeakPolarHBondContact O-CG1 3.16Å; S195-I199 PolarHBondContact O-N 3.44Å
196	E	96.4	Very high	96.2	Very high	93 Å²	93	56.9 Å²	56.9	44%	0.435	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-41	176.5	-73.3	-179	-177.7	0	0	112.3	L30 C192 I199 R200	L30-E196 HydrophobicContact CD2-CG 4.5Å; C192-E196 PolarHBondContact O-N 3.28Å; E196-I199 PolarHBondContact O-N 2.69Å; E196-R200 PolarHBondContact O-N 2.98Å; E196-R200 VanDerWaalsContact O-N 3.08Å
197	D	95.9	Very high	96.2	Very high	73 Å²	73	58 Å²	58	39%	0.39	30%	0.3	S	S	.	.	H	α-helix	trans	-62.8	-42.9	173.8	-178.9	61.2	0	0	0	111.9	A193 S195 R200 T201	A193-D197 PolarHBondContact O-N 3.33Å; S195-D197 PolarHBondContact O-N 2.97Å; D197-R200 PolarHBondContact O-N 2.85Å; D197-R200 IonicContact OD1-CZ 3.36Å; D197-R200 IonicContact OD1-NE 2.88Å; D197-R200 IonicContact OD1-NH2 2.62Å; D197-R200 PolarHBondContact OD1-NH2 3.27Å; D197-T201 WeakPolarHBondContact O-CG2 3.28Å; D197-T201 PolarHBondContact O-N 2.87Å; D197-T201 PolarHBondContact O-OG1 3.3Å
198	A	97	Very high	96.2	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-63.4	-41.1	175.7	0	0	0	0	0	112.4	I9 L129 L194 S195 R200 T201 A202	I9-A198 HydrophobicContact CD1-CB 4.42Å; L129-A198 HydrophobicContact CB-CB 3.74Å; L129-A198 HydrophobicContact CD2-CB 3.82Å; L129-A198 HydrophobicContact CG-CB 4.36Å; L194-A198 PolarHBondContact O-N 3.34Å; L194-A198 VanDerWaalsContact O-N 3.14Å; S195-A198 PolarHBondContact O-N 3.4Å; A198-R200 VanDerWaalsContact C-N 3.34Å; A198-R200 PolarHBondContact O-N 2.85Å; A198-T201 PolarHBondContact O-N 2.86Å; A198-T201 PolarHBondContact O-OG1 3.32Å; A198-A202 WeakPolarHBondContact O-CB 3.41Å; A198-A202 PolarHBondContact O-N 3.26Å
199	I	96.6	Very high	96.3	Very high	18 Å²	18	63.1 Å²	63.1	9%	0.092	33%	0.332	C	S	.	.	H	α-helix	trans	-61.6	-43.6	177	-69.8	164.6	0	0	0	110.9	A7 I9 L30 T92 S195 E196	A7-I199 HydrophobicContact CB-CG1 3.99Å; I9-I199 HydrophobicContact CD1-CG1 4.18Å; L30-I199 HydrophobicContact CD1-CD1 3.9Å; L30-I199 HydrophobicContact CD2-CD1 3.63Å; L30-I199 HydrophobicContact CG-CD1 4.41Å; T92-I199 HydrophobicContact CG2-CD1 4.09Å; T92-I199 HydrophobicContact CG2-CG1 4.04Å; S195-I199 VanDerWaalsContact O-CG1 3.24Å; S195-I199 WeakPolarHBondContact O-CG1 3.16Å; S195-I199 PolarHBondContact O-N 3.44Å; E196-I199 PolarHBondContact O-N 2.69Å
200	R	94.7	Very high	96.3	Very high	144 Å²	144	56.7 Å²	56.7	54%	0.543	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-52.4	177.3	176.4	176.1	53.1	-116.9	2.1	111.3	E196 D197 A198 A202 T203	E196-R200 PolarHBondContact O-N 2.98Å; E196-R200 VanDerWaalsContact O-N 3.08Å; D197-R200 PolarHBondContact O-N 2.85Å; D197-R200 IonicContact OD1-CZ 3.36Å; D197-R200 IonicContact OD1-NE 2.88Å; D197-R200 IonicContact OD1-NH2 2.62Å; D197-R200 PolarHBondContact OD1-NH2 3.27Å; A198-R200 VanDerWaalsContact C-N 3.34Å; A198-R200 PolarHBondContact O-N 2.85Å; R200-A202 PolarHBondContact O-N 2.75Å; R200-T203 PolarHBondContact O-N 2.79Å; R200-T203 PolarHBondContact O-OG1 3.46Å
201	T	94.3	Very high	96.3	Very high	46 Å²	46	55.5 Å²	55.5	28%	0.282	29%	0.293	S	S	.	.	H	α-helix	trans	-70.7	-29.2	-175	54.9	0	0	0	0	113.5	D197 A198 T203 E204	D197-T201 WeakPolarHBondContact O-CG2 3.28Å; D197-T201 PolarHBondContact O-N 2.87Å; D197-T201 PolarHBondContact O-OG1 3.3Å; A198-T201 PolarHBondContact O-N 2.86Å; A198-T201 PolarHBondContact O-OG1 3.32Å; T201-T203 PolarHBondContact O-N 3.12Å; T201-E204 PolarHBondContact O-N 3.37Å; T201-E204 VanDerWaalsContact O-N 3.16Å
202	A	94.4	Very high	96	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.008	33%	0.332	C	S	.	.	H	α-helix	trans	-59.6	-30.1	175.9	0	0	0	0	0	112.9	R5 A7 D128 A198 R200 E204 K205	R5-A202 PolarHBondContact NE-O 2.91Å; R5-A202 VanDerWaalsContact NE-O 3.09Å; R5-A202 PolarHBondContact NH2-O 3.18Å; A7-A202 HydrophobicContact CB-CB 3.69Å; D128-A202 HydrophobicContact CB-CB 4.44Å; A198-A202 WeakPolarHBondContact O-CB 3.41Å; A198-A202 PolarHBondContact O-N 3.26Å; R200-A202 PolarHBondContact O-N 2.75Å; A202-E204 PolarHBondContact O-N 3.39Å; A202-K205 PolarHBondContact O-N 3.36Å; A202-K205 VanDerWaalsContact O-O 3.07Å
203	T	92	Very high	95.9	Very high	48 Å²	48	67.1 Å²	67.1	29%	0.294	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-15.4	179.9	68.6	0	0	0	0	114	R4 R200 T201	R4-T203 HydrophobicContact CB-CG2 3.91Å; R4-T203 HydrophobicContact CG-CG2 4.17Å; R200-T203 PolarHBondContact O-N 2.79Å; R200-T203 PolarHBondContact O-OG1 3.46Å; T201-T203 PolarHBondContact O-N 3.12Å
204	E	92.1	Very high	95.8	Very high	140 Å²	140	67.2 Å²	67.2	65%	0.654	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-11.4	-174	-58.6	174.5	178.6	0	0	113	T201 A202	T201-E204 PolarHBondContact O-N 3.37Å; T201-E204 VanDerWaalsContact O-N 3.16Å; A202-E204 PolarHBondContact O-N 3.39Å
205	K	92.6	Very high	95.6	Very high	140 Å²	140	68.1 Å²	68.1	61%	0.609	34%	0.338	S	S	*	.	S	Bend	trans	-132.8	143.3	-172	-61.2	177.2	-172.6	172.1	0	111	R5 A202	R5-K205 PolarHBondContact NE-O 2.91Å; R5-K205 PolarHBondContact NH2-O 2.75Å; R5-K205 VanDerWaalsContact NH2-O 3.11Å; A202-K205 PolarHBondContact O-N 3.36Å; A202-K205 VanDerWaalsContact O-O 3.07Å
206	P	95.8	Very high	95.5	Very high	119 Å²	119	72.1 Å²	72.1	77%	0.773	36%	0.358	S	S	*	.			trans	-62	156.8	171.8	28.6	-34.4	0	0	0	110.7	G208	P206-G208 PolarHBondContact O-N 3.07Å
207	L	97.4	Very high	95.4	Very high	50 Å²	50	70.8 Å²	70.8	26%	0.262	35%	0.353	S	S	.	.			trans	-64.3	125.3	171.9	-179.6	65.1	0	0	0	109.3	K84 L87 P125	K84-L207 HydrophobicContact CG-CD2 4.27Å; L87-L207 HydrophobicContact CD1-CD1 4.01Å; L87-L207 HydrophobicContact CD1-CD2 3.83Å; P125-L207 HydrophobicContact CB-CD1 4.47Å; P125-L207 HydrophobicContact CB-CD2 4.12Å
208	G	97.7	Very high	95.4	Very high	31 Å²	31	70.6 Å²	70.6	32%	0.32	35%	0.35	S	S	.	.			trans	-81.3	175.1	180	0	0	0	0	0	113.8	K126 P206	K126-G208 VanDerWaalsContact CB-O 3.3Å; K126-G208 WeakPolarHBondContact CB-O 3.48Å; K126-G208 PolarHBondContact N-O 2.91Å; P206-G208 PolarHBondContact O-N 3.07Å
209	E	98.4	Very high	95.3	Very high	100 Å²	100	75.6 Å²	75.6	47%	0.467	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-108.1	133.9	172	-67.8	-179	95.4	0	0	109.7	K212	E209-K212 HydrophobicContact CB-CB 4.13Å; E209-K212 HydrophobicContact CB-CD 4.02Å; E209-K212 HydrophobicContact CG-CD 4.43Å; E209-K212 IonicContact OE1-NZ 2.7Å; E209-K212 PolarHBondContact OE1-NZ 3.23Å; E209-K212 WeakPolarHBondContact OE2-CD 3.18Å; E209-K212 IonicContact OE2-NZ 3.49Å; E209-K212 PolarHBondContact OE2-NZ 2.66Å
210	L	98.6	Very high	95.2	Very high	0 Å²	0	80 Å²	80	0%	0	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	131.8	-176.8	-179.1	62.2	0	0	0	111	Y98 A99 F100 V122 G123 L124 L173 K212	Y98-L210 HydrophobicContact CE1-CD2 4.47Å; A99-L210 HydrophobicContact CB-CD2 3.6Å; F100-L210 HydrophobicContact CE1-CD1 4.11Å; F100-L210 HydrophobicContact CZ-CD1 4.14Å; V122-L210 WeakPolarHBondContact CA-O 3.42Å; G123-L210 PolarHBondContact N-O 3.35Å; L124-L210 HydrophobicContact CB-CB 4.24Å; L124-L210 HydrophobicContact CB-CD2 4.3Å; L124-L210 WeakPolarHBondContact O-CB 3.45Å; L124-L210 PolarHBondContact O-N 2.82Å; L173-L210 HydrophobicContact CD1-CD1 4.29Å; L173-L210 HydrophobicContact CD2-CD1 3.6Å; L210-K212 PolarHBondContact O-N 3.4Å
211	W	98	Very high	95.2	Very high	32 Å²	32	74.7 Å²	74.7	12%	0.121	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	31.1	175	-59.1	-39.1	0	0	0	115.9	A99 F100 V103 K118 D121 V122 L167 D170	A99-W211 HydrophobicContact CB-CH2 3.98Å; A99-W211 HydrophobicContact CB-CZ3 4.17Å; F100-W211 HydrophobicContact CD1-CH2 4.3Å; F100-W211 AromaticContact CD1-CZ2 3.74Å; F100-W211 HydrophobicContact CD1-CZ2 3.74Å; F100-W211 HydrophobicContact CE1-CH2 4.49Å; F100-W211 AromaticContact CE1-CZ2 3.76Å; F100-W211 HydrophobicContact CE1-CZ2 3.76Å; V103-W211 HydrophobicContact CB-CH2 4.47Å; V103-W211 HydrophobicContact CG2-CH2 3.48Å; V103-W211 VanDerWaalsContact CG2-CH2 3.48Å; V103-W211 HydrophobicContact CG2-CZ2 4.5Å; V103-W211 HydrophobicContact CG2-CZ3 3.81Å; K118-W211 HydrophobicContact CB-CD2 4.32Å; K118-W211 HydrophobicContact CB-CE3 3.73Å; K118-W211 HydrophobicContact CB-CZ3 3.84Å; K118-W211 HydrophobicContact CD-CD2 4.36Å; K118-W211 VanDerWaalsContact CE-CE2 3.5Å; K118-W211 VanDerWaalsContact CE-CG 3.43Å; K118-W211 HydrophobicContact CG-CD2 4.15Å; K118-W211 HydrophobicContact CG-CE3 3.87Å; K118-W211 HydrophobicContact CG-CH2 3.95Å; K118-W211 HydrophobicContact CG-CZ2 4.18Å; K118-W211 HydrophobicContact CG-CZ3 3.75Å; D121-W211 HydrophobicContact CB-CE3 4.31Å; D121-W211 HydrophobicContact CB-CZ3 3.8Å; V122-W211 HydrophobicContact CG2-CB 4.02Å; L167-W211 HydrophobicContact CD2-CZ2 4.09Å; D170-W211 VanDerWaalsContact OD2-CD1 3.27Å; D170-W211 PolarHBondContact OD2-NE1 2.83Å
212	K	91.4	Very high	95.3	Very high	189 Å²	189	77.3 Å²	77.3	82%	0.822	39%	0.394	S	S	*	.			trans	-118.4	0	177.8	-169.4	-175.3	179.6	-170.4	0	110.9	V122 E209 L210	V122-K212 HydrophobicContact CG1-CB 4.35Å; E209-K212 HydrophobicContact CB-CB 4.13Å; E209-K212 HydrophobicContact CB-CD 4.02Å; E209-K212 HydrophobicContact CG-CD 4.43Å; E209-K212 IonicContact OE1-NZ 2.7Å; E209-K212 PolarHBondContact OE1-NZ 3.23Å; E209-K212 WeakPolarHBondContact OE2-CD 3.18Å; E209-K212 IonicContact OE2-NZ 3.49Å; E209-K212 PolarHBondContact OE2-NZ 2.66Å; L210-K212 PolarHBondContact O-N 3.4Å

Retrieved 212 of 212 residues in 46.9 ms (Link to these results)

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