A0A077ZH09_TRITR Loading...

Probable transcriptional regulator ycf27

Probable promoter-specific protein mediating the interaction between DNA and RNA polymerase.

AlphaFold DB , UniProt , Accession A0A077ZH09, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 204 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	92.4	Very high	96.8	Very high	75 Å²	75	48.4 Å²	48.4	37%	0.369	24%	0.235	S	C	.	.				0	127.5	0	-174.5	-176.2	88	0	0	107.2	I3 Y25 E26 D46 I111 L115	M1-I3 HydrophobicContact CE-CD1 3.57Å; M1-I3 HydrophobicContact CE-CG1 3.64Å; M1-Y25 HydrophobicContact CB-CD1 4.13Å; M1-Y25 HydrophobicContact CE-CD1 3.31Å; M1-Y25 HydrophobicContact CE-CD2 4.37Å; M1-Y25 HydrophobicContact CE-CE1 3.28Å; M1-Y25 HydrophobicContact CE-CE2 4.34Å; M1-Y25 HydrophobicContact CE-CG 3.89Å; M1-Y25 HydrophobicContact SD-CD1 4.32Å; M1-Y25 HydrophobicContact SD-CE1 4.06Å; M1-E26 PolarHBondContact O-N 2.82Å; M1-D46 WeakPolarHBondContact CA-OD2 3.29Å; M1-D46 HydrophobicContact CG-CB 3.44Å; M1-D46 VanDerWaalsContact CG-CB 3.44Å; M1-I111 HydrophobicContact CE-CG2 4.42Å; M1-L115 HydrophobicContact CE-CD1 3.43Å; M1-L115 VanDerWaalsContact CE-CD1 3.43Å; M1-L115 HydrophobicContact SD-CD1 3.38Å; M1-L115 WeakPolarHBondContact SD-CD1 3.45Å; M1-L115 HydrophobicContact SD-CD2 3.9Å; M1-L115 HydrophobicContact SD-CG 4.29Å
2	K	96.5	Very high	96.8	Very high	25 Å²	25	47.2 Å²	47.2	11%	0.109	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.2	-176	-173.7	169.3	179.8	175.1	0	111.3	E26 Y39 S44 D46 F47	K2-E26 CarbonylContact C-O 3.54Å; K2-E26 WeakPolarHBondContact CA-O 3.34Å; K2-E26 HydrophobicContact CB-CB 4.44Å; K2-E26 HydrophobicContact CG-CG 4.38Å; K2-E26 IonicContact NZ-OE1 3.06Å; K2-Y39 WeakPolarHBondContact CE-OH 3.37Å; K2-Y39 PolarHBondContact NZ-OH 2.85Å; K2-S44 WeakPolarHBondContact CD-O 3.35Å; K2-D46 PolarHBondContact N-OD2 3.2Å; K2-D46 PolarHBondContact O-N 3.22Å; K2-F47 PolarHBondContact O-N 3.12Å
3	I	97.9	Very high	96.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.1	178	-54.7	-178.4	0	0	0	108.3	M1 I5 L20 Y25 E26 T27 A28 F47 L49 I111	M1-I3 HydrophobicContact CE-CD1 3.57Å; M1-I3 HydrophobicContact CE-CG1 3.64Å; I3-I5 HydrophobicContact CG2-CG1 4.45Å; I3-L20 HydrophobicContact CD1-CD1 4.31Å; I3-L20 HydrophobicContact CD1-CD2 3.7Å; I3-L20 HydrophobicContact CD1-CG 4.42Å; I3-L20 HydrophobicContact CG2-CD1 4.24Å; I3-Y25 HydrophobicContact CD1-CD1 4.42Å; I3-Y25 HydrophobicContact CD1-CD2 3.73Å; I3-Y25 HydrophobicContact CD1-CE2 4.45Å; I3-Y25 HydrophobicContact CD1-CG 3.71Å; I3-Y25 HydrophobicContact CG1-CG 4.49Å; I3-E26 PolarHBondContact N-O 2.81Å; I3-T27 WeakPolarHBondContact O-CA 3.42Å; I3-A28 PolarHBondContact O-N 3.12Å; I3-F47 CarbonylContact C-O 3.6Å; I3-F47 WeakPolarHBondContact CA-O 3.41Å; I3-F47 HydrophobicContact CB-CB 4.47Å; I3-F47 HydrophobicContact CG1-CB 4.03Å; I3-F47 HydrophobicContact CG2-CB 4.33Å; I3-F47 HydrophobicContact CG2-CD1 4.34Å; I3-L49 HydrophobicContact CG2-CD1 4.27Å; I3-L49 HydrophobicContact CG2-CG 4.02Å; I3-I111 HydrophobicContact CD1-CD1 4.31Å; I3-I111 HydrophobicContact CD1-CG2 4.49Å
4	L	98.4	Very high	96.8	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120	171.6	178.8	60	0	0	0	109	I6 A28 I30 Y39 F40 V45 F47 V48 L49	L4-I6 HydrophobicContact CD1-CG1 4.41Å; L4-I6 HydrophobicContact CD2-CD1 3.9Å; L4-I6 HydrophobicContact CD2-CG1 4.07Å; L4-I6 HydrophobicContact CG-CD1 4.17Å; L4-I6 HydrophobicContact CG-CG1 3.81Å; L4-A28 HydrophobicContact CD1-CB 3.94Å; L4-I30 HydrophobicContact CD1-CG1 3.92Å; L4-Y39 HydrophobicContact CD1-CD1 3.76Å; L4-Y39 HydrophobicContact CD1-CE1 3.82Å; L4-Y39 HydrophobicContact CD2-CD1 4.1Å; L4-F40 HydrophobicContact CD2-CB 4.5Å; L4-F40 HydrophobicContact CD2-CD2 4.19Å; L4-V45 HydrophobicContact CB-CG1 3.59Å; L4-V45 HydrophobicContact CB-CG2 4.12Å; L4-V45 HydrophobicContact CD2-CG1 4.49Å; L4-V45 HydrophobicContact CD2-CG2 4.2Å; L4-F47 PolarHBondContact N-O 3.45Å; L4-V48 HydrophobicContact CB-CG2 4.5Å; L4-V48 CarbonylContact O-C 3.6Å; L4-V48 WeakPolarHBondContact O-CA 3.24Å; L4-L49 PolarHBondContact O-N 2.71Å
5	I	98.4	Very high	96.8	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.1	174.8	-51.4	174.1	0	0	0	107.2	I3 E7 V13 L16 K17 L20 T27 A28 V29 I30 L49	I3-I5 HydrophobicContact CG2-CG1 4.45Å; I5-E7 HydrophobicContact CG2-CB 4.07Å; I5-V13 HydrophobicContact CG2-CG2 4.27Å; I5-L16 HydrophobicContact CD1-CB 4.03Å; I5-L16 HydrophobicContact CG2-CD1 4.01Å; I5-K17 HydrophobicContact CD1-CG 3.85Å; I5-L20 HydrophobicContact CD1-CD1 3.84Å; I5-L20 HydrophobicContact CG1-CD1 4.33Å; I5-T27 HydrophobicContact CD1-CG2 4.01Å; I5-A28 PolarHBondContact N-O 3.23Å; I5-V29 CarbonylContact O-C 3.55Å; I5-V29 VanDerWaalsContact O-CA 3.29Å; I5-V29 WeakPolarHBondContact O-CA 3.37Å; I5-I30 PolarHBondContact O-N 3.37Å; I5-L49 HydrophobicContact CG1-CD1 4.41Å
6	I	98.3	Very high	96.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	97.6	177.8	-47.4	170.7	0	0	0	107	L4 I30 A36 V48 L49 L50 D51 L54 I62	L4-I6 HydrophobicContact CD1-CG1 4.41Å; L4-I6 HydrophobicContact CD2-CD1 3.9Å; L4-I6 HydrophobicContact CD2-CG1 4.07Å; L4-I6 HydrophobicContact CG-CD1 4.17Å; L4-I6 HydrophobicContact CG-CG1 3.81Å; I6-I30 CarbonylContact C-O 3.54Å; I6-I30 VanDerWaalsContact CA-O 3.27Å; I6-I30 WeakPolarHBondContact CA-O 3.29Å; I6-I30 HydrophobicContact CG1-CB 4.45Å; I6-I30 HydrophobicContact CG2-CB 4.29Å; I6-I30 HydrophobicContact CG2-CG2 4.19Å; I6-A36 HydrophobicContact CD1-CB 3.75Å; I6-A36 HydrophobicContact CG1-CB 4.43Å; I6-A36 HydrophobicContact CG2-CB 4.03Å; I6-V48 HydrophobicContact CD1-CG1 3.73Å; I6-V48 HydrophobicContact CG1-CG1 4.27Å; I6-L49 PolarHBondContact N-O 2.85Å; I6-L50 HydrophobicContact CB-CD1 3.76Å; I6-L50 HydrophobicContact CD1-CD1 3.81Å; I6-L50 HydrophobicContact CG1-CD1 4.34Å; I6-L50 HydrophobicContact CG2-CD1 3.99Å; I6-D51 PolarHBondContact O-N 3.34Å; I6-L54 HydrophobicContact CB-CD1 4.31Å; I6-L54 HydrophobicContact CG2-CD1 3.35Å; I6-L54 HydrophobicContact CG2-CD2 4.09Å; I6-L54 HydrophobicContact CG2-CG 4.37Å; I6-I62 HydrophobicContact CD1-CG2 4.22Å
7	E	97.4	Very high	96.8	Very high	3 Å²	3	46.5 Å²	46.5	1%	0.014	23%	0.232	C	C	.	.			trans	-158.1	126.9	-169.4	170.4	73.6	-132.1	0	0	109	I5 N9 I12 V13 I30 H31 K100	I5-E7 HydrophobicContact CG2-CB 4.07Å; E7-N9 HydrophobicContact CG-CB 4.32Å; E7-N9 WeakPolarHBondContact OE1-CB 3.19Å; E7-N9 PolarHBondContact OE1-N 3.17Å; E7-I12 HydrophobicContact CG-CB 4.04Å; E7-I12 HydrophobicContact CG-CG2 3.89Å; E7-V13 HydrophobicContact CB-CG2 3.69Å; E7-V13 HydrophobicContact CG-CG2 3.68Å; E7-I30 PolarHBondContact N-O 3.26Å; E7-H31 PolarHBondContact O-ND1 3.22Å; E7-K100 IonicContact OE1-NZ 2.66Å; E7-K100 PolarHBondContact OE1-NZ 3.4Å; E7-K100 VanDerWaalsContact OE2-CE 3.32Å; E7-K100 WeakPolarHBondContact OE2-CE 2.84Å; E7-K100 IonicContact OE2-NZ 2.6Å; E7-K100 PolarHBondContact OE2-NZ 2.83Å
8	D	96.8	Very high	96.8	Very high	74 Å²	74	54.2 Å²	54.2	40%	0.396	26%	0.258	S	S	.	.	S	Bend	trans	-80.2	-25.1	-178.9	70.9	-42.9	0	0	0	112.4	E10 H31 L54 P55	D8-E10 PolarHBondContact O-N 3.15Å; D8-H31 WeakPolarHBondContact CB-O 3.49Å; D8-L54 HydrophobicContact CB-CD2 4.39Å; D8-P55 HydrophobicContact CB-CG 4.4Å
9	N	96.5	Very high	96.7	Very high	61 Å²	61	56 Å²	56	33%	0.326	26%	0.262	S	S	.	.			trans	-78.2	106.8	178.7	-169.7	-47.1	0	0	0	112.9	E7 Q11 I12 V13	E7-N9 HydrophobicContact CG-CB 4.32Å; E7-N9 WeakPolarHBondContact OE1-CB 3.19Å; E7-N9 PolarHBondContact OE1-N 3.17Å; N9-Q11 VanDerWaalsContact C-N 3.28Å; N9-Q11 PolarHBondContact O-N 3.46Å; N9-Q11 WeakPolarHBondContact OD1-CB 3.4Å; N9-Q11 PolarHBondContact OD1-N 2.6Å; N9-I12 HydrophobicContact CB-CB 4.12Å; N9-I12 HydrophobicContact CB-CD1 3.94Å; N9-I12 HydrophobicContact CB-CG1 4.04Å; N9-I12 PolarHBondContact O-N 3.17Å; N9-I12 VanDerWaalsContact O-N 3.12Å; N9-I12 PolarHBondContact OD1-N 2.99Å; N9-V13 WeakPolarHBondContact O-CG2 3.22Å; N9-V13 PolarHBondContact O-N 2.95Å
10	E	96.8	Very high	96.7	Very high	139 Å²	139	53.3 Å²	53.3	65%	0.65	25%	0.25	S	C	*	.	H	α-helix	trans	-56.4	-36.6	179.7	-66.3	-171.7	167.3	0	0	113.9	D8 V13 D14	D8-E10 PolarHBondContact O-N 3.15Å; E10-V13 PolarHBondContact O-N 3.27Å; E10-D14 WeakPolarHBondContact O-CB 3.43Å; E10-D14 PolarHBondContact O-N 2.85Å
11	Q	95.9	Very high	96.6	Very high	154 Å²	154	54.6 Å²	54.6	72%	0.72	26%	0.258	S	S	*	.	H	α-helix	trans	-67.5	-40.1	-180	-60.9	-178.8	-12	0	0	111.2	N9 V15	N9-Q11 VanDerWaalsContact C-N 3.28Å; N9-Q11 PolarHBondContact O-N 3.46Å; N9-Q11 WeakPolarHBondContact OD1-CB 3.4Å; N9-Q11 PolarHBondContact OD1-N 2.6Å; Q11-V15 VanDerWaalsContact O-CG2 3.29Å; Q11-V15 WeakPolarHBondContact O-CG2 3.37Å; Q11-V15 PolarHBondContact O-N 3.26Å; Q11-V15 VanDerWaalsContact O-N 3.15Å
12	I	96	Very high	96.8	Very high	34 Å²	34	59 Å²	59	17%	0.174	28%	0.275	C	S	.	.	H	α-helix	trans	-65.2	-47.3	175.5	-66.4	-179.2	0	0	0	109.8	E7 N9 D14 V15 L16 K100 F102	E7-I12 HydrophobicContact CG-CB 4.04Å; E7-I12 HydrophobicContact CG-CG2 3.89Å; N9-I12 HydrophobicContact CB-CB 4.12Å; N9-I12 HydrophobicContact CB-CD1 3.94Å; N9-I12 HydrophobicContact CB-CG1 4.04Å; N9-I12 PolarHBondContact O-N 3.17Å; N9-I12 VanDerWaalsContact O-N 3.12Å; N9-I12 PolarHBondContact OD1-N 2.99Å; I12-D14 VanDerWaalsContact C-N 3.34Å; I12-D14 PolarHBondContact O-N 3.36Å; I12-V15 PolarHBondContact O-N 3.28Å; I12-L16 HydrophobicContact CG2-CD1 3.85Å; I12-L16 HydrophobicContact CG2-CG 4.25Å; I12-L16 WeakPolarHBondContact O-CG 3.45Å; I12-L16 PolarHBondContact O-N 2.97Å; I12-K100 HydrophobicContact CD1-CD 3.88Å; I12-F102 HydrophobicContact CG2-CE1 4.3Å; I12-F102 HydrophobicContact CG2-CZ 3.74Å
13	V	97.4	Very high	96.7	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.024	29%	0.287	C	S	.	.	H	α-helix	trans	-55.1	-48.5	176.3	166.6	0	0	0	0	111.3	I5 E7 N9 E10 V15 L16 K17 V29	I5-V13 HydrophobicContact CG2-CG2 4.27Å; E7-V13 HydrophobicContact CB-CG2 3.69Å; E7-V13 HydrophobicContact CG-CG2 3.68Å; N9-V13 WeakPolarHBondContact O-CG2 3.22Å; N9-V13 PolarHBondContact O-N 2.95Å; E10-V13 PolarHBondContact O-N 3.27Å; V13-V15 VanDerWaalsContact C-N 3.32Å; V13-V15 PolarHBondContact O-N 3.11Å; V13-L16 PolarHBondContact O-N 3.02Å; V13-K17 HydrophobicContact CG1-CD 3.59Å; V13-K17 HydrophobicContact CG1-CG 4.13Å; V13-K17 WeakPolarHBondContact O-CB 3.45Å; V13-K17 VanDerWaalsContact O-CG 3.26Å; V13-K17 WeakPolarHBondContact O-CG 3.46Å; V13-K17 PolarHBondContact O-N 2.79Å; V13-V29 HydrophobicContact CG1-CB 4.37Å; V13-V29 HydrophobicContact CG1-CG1 3.67Å; V13-V29 HydrophobicContact CG1-CG2 3.71Å; V13-V29 HydrophobicContact CG2-CG1 3.99Å
14	D	97.2	Very high	96.6	Very high	88 Å²	88	70 Å²	70	47%	0.471	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-40	-178.6	-84.5	-14.7	0	0	0	112.6	E10 I12 R18	E10-D14 WeakPolarHBondContact O-CB 3.43Å; E10-D14 PolarHBondContact O-N 2.85Å; I12-D14 VanDerWaalsContact C-N 3.34Å; I12-D14 PolarHBondContact O-N 3.36Å; D14-R18 VanDerWaalsContact O-CB 3.3Å; D14-R18 WeakPolarHBondContact O-CB 3.11Å; D14-R18 PolarHBondContact O-N 3.28Å; D14-R18 VanDerWaalsContact O-N 3.11Å
15	V	96.3	Very high	96.5	Very high	60 Å²	60	72 Å²	72	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-65.3	-49	175.6	171.2	0	0	0	0	110.4	Q11 I12 V13 R18 Y19 P104	Q11-V15 VanDerWaalsContact O-CG2 3.29Å; Q11-V15 WeakPolarHBondContact O-CG2 3.37Å; Q11-V15 PolarHBondContact O-N 3.26Å; Q11-V15 VanDerWaalsContact O-N 3.15Å; I12-V15 PolarHBondContact O-N 3.28Å; V13-V15 VanDerWaalsContact C-N 3.32Å; V13-V15 PolarHBondContact O-N 3.11Å; V15-R18 PolarHBondContact O-N 2.79Å; V15-Y19 HydrophobicContact CG1-CD2 4.37Å; V15-Y19 WeakPolarHBondContact O-CD2 3.38Å; V15-Y19 PolarHBondContact O-N 2.91Å; V15-P104 HydrophobicContact CG1-CB 4.17Å; V15-P104 HydrophobicContact CG1-CG 3.37Å
16	L	97.1	Very high	96.4	Very high	3 Å²	3	77.3 Å²	77.3	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-51.4	179	-71.1	176.6	0	0	0	111.4	I5 I12 V13 R18 Y19 L20 L49 I77 F102 V107	I5-L16 HydrophobicContact CD1-CB 4.03Å; I5-L16 HydrophobicContact CG2-CD1 4.01Å; I12-L16 HydrophobicContact CG2-CD1 3.85Å; I12-L16 HydrophobicContact CG2-CG 4.25Å; I12-L16 WeakPolarHBondContact O-CG 3.45Å; I12-L16 PolarHBondContact O-N 2.97Å; V13-L16 PolarHBondContact O-N 3.02Å; L16-R18 VanDerWaalsContact C-N 3.31Å; L16-R18 PolarHBondContact O-N 2.96Å; L16-Y19 PolarHBondContact O-N 3.3Å; L16-L20 HydrophobicContact CB-CD1 4.36Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 WeakPolarHBondContact O-CG 3.27Å; L16-L20 PolarHBondContact O-N 2.87Å; L16-L49 HydrophobicContact CD1-CD1 4.21Å; L16-L49 HydrophobicContact CD2-CD1 4.35Å; L16-I77 HydrophobicContact CD1-CD1 4.14Å; L16-F102 HydrophobicContact CD1-CZ 4.44Å; L16-F102 HydrophobicContact CD2-CE2 3.8Å; L16-F102 HydrophobicContact CD2-CZ 4.08Å; L16-F102 HydrophobicContact CG-CE2 4.44Å; L16-F102 HydrophobicContact CG-CZ 4.36Å; L16-V107 HydrophobicContact CD2-CB 4.2Å; L16-V107 HydrophobicContact CD2-CG1 3.9Å; L16-V107 HydrophobicContact CD2-CG2 3.99Å
17	K	97.3	Very high	96.4	Very high	70 Å²	70	78.6 Å²	78.6	30%	0.304	37%	0.368	S	S	.	.	H	α-helix	trans	-54.6	-47	178.4	-73.6	173.2	78.5	176.4	0	112	I5 V13 Y19 L20 N21 V29	I5-K17 HydrophobicContact CD1-CG 3.85Å; V13-K17 HydrophobicContact CG1-CD 3.59Å; V13-K17 HydrophobicContact CG1-CG 4.13Å; V13-K17 WeakPolarHBondContact O-CB 3.45Å; V13-K17 VanDerWaalsContact O-CG 3.26Å; V13-K17 WeakPolarHBondContact O-CG 3.46Å; V13-K17 PolarHBondContact O-N 2.79Å; K17-Y19 VanDerWaalsContact C-N 3.32Å; K17-Y19 PolarHBondContact O-N 3.02Å; K17-L20 PolarHBondContact O-N 2.82Å; K17-N21 WeakPolarHBondContact O-CB 3.28Å; K17-N21 PolarHBondContact O-N 2.95Å; K17-N21 PolarHBondContact O-ND2 2.89Å; K17-N21 PolarHBondContact O-OD1 3.16Å; K17-V29 HydrophobicContact CD-CG2 3.71Å; K17-V29 HydrophobicContact CG-CG2 4.18Å
18	R	95.7	Very high	96.4	Very high	184 Å²	184	78.8 Å²	78.8	69%	0.694	37%	0.37	S	S	*	.	H	α-helix	trans	-60	-43.4	-178.6	-172	-175.8	-54.6	-130	-0.3	111.9	D14 V15 L16 K22	D14-R18 VanDerWaalsContact O-CB 3.3Å; D14-R18 WeakPolarHBondContact O-CB 3.11Å; D14-R18 PolarHBondContact O-N 3.28Å; D14-R18 VanDerWaalsContact O-N 3.11Å; V15-R18 PolarHBondContact O-N 2.79Å; L16-R18 VanDerWaalsContact C-N 3.31Å; L16-R18 PolarHBondContact O-N 2.96Å; R18-K22 WeakPolarHBondContact O-CB 3.47Å; R18-K22 PolarHBondContact O-N 3.34Å
19	Y	95.5	Very high	96.5	Very high	89 Å²	89	77 Å²	77	35%	0.349	36%	0.362	S	S	.	.	H	α-helix	trans	-72.8	-41.3	179.6	-89.5	-97.3	0	0	0	112.4	V15 L16 K17 K22 E23 P104 K105 L108	V15-Y19 HydrophobicContact CG1-CD2 4.37Å; V15-Y19 WeakPolarHBondContact O-CD2 3.38Å; V15-Y19 PolarHBondContact O-N 2.91Å; L16-Y19 PolarHBondContact O-N 3.3Å; K17-Y19 VanDerWaalsContact C-N 3.32Å; K17-Y19 PolarHBondContact O-N 3.02Å; Y19-K22 PolarHBondContact O-N 3.42Å; Y19-E23 PolarHBondContact O-N 3.38Å; Y19-P104 HydrophobicContact CD1-CB 3.66Å; Y19-P104 HydrophobicContact CD2-CB 3.46Å; Y19-P104 VanDerWaalsContact CD2-CB 3.46Å; Y19-P104 HydrophobicContact CD2-CG 3.95Å; Y19-P104 HydrophobicContact CE1-CB 3.79Å; Y19-P104 HydrophobicContact CE2-CB 3.59Å; Y19-P104 HydrophobicContact CE2-CG 3.71Å; Y19-P104 HydrophobicContact CG-CB 3.48Å; Y19-P104 VanDerWaalsContact CG-CB 3.48Å; Y19-P104 HydrophobicContact CG-CG 4.46Å; Y19-K105 HydrophobicContact CE1-CG 4.48Å; Y19-L108 HydrophobicContact CD1-CD1 3.82Å; Y19-L108 HydrophobicContact CG-CD1 4.45Å
20	L	96.6	Very high	96.6	Very high	2 Å²	2	74.7 Å²	74.7	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-68.6	-43.5	179.7	-64.9	168.1	0	0	0	111.8	I3 I5 L16 K17 K22 E23 E24 Y25 T27 L49 L108 I111	I3-L20 HydrophobicContact CD1-CD1 4.31Å; I3-L20 HydrophobicContact CD1-CD2 3.7Å; I3-L20 HydrophobicContact CD1-CG 4.42Å; I3-L20 HydrophobicContact CG2-CD1 4.24Å; I5-L20 HydrophobicContact CD1-CD1 3.84Å; I5-L20 HydrophobicContact CG1-CD1 4.33Å; L16-L20 HydrophobicContact CB-CD1 4.36Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 WeakPolarHBondContact O-CG 3.27Å; L16-L20 PolarHBondContact O-N 2.87Å; K17-L20 PolarHBondContact O-N 2.82Å; L20-K22 VanDerWaalsContact C-N 3.25Å; L20-K22 PolarHBondContact O-N 3.04Å; L20-E23 CarbonylContact O-C 3.54Å; L20-E23 PolarHBondContact O-N 2.88Å; L20-E24 PolarHBondContact O-N 3.13Å; L20-Y25 HydrophobicContact CB-CD2 4.43Å; L20-Y25 HydrophobicContact CD2-CD2 4.03Å; L20-Y25 WeakPolarHBondContact O-CB 3.29Å; L20-Y25 PolarHBondContact O-N 3.1Å; L20-Y25 VanDerWaalsContact O-N 3.12Å; L20-T27 HydrophobicContact CB-CG2 3.72Å; L20-T27 HydrophobicContact CD1-CG2 3.85Å; L20-T27 HydrophobicContact CG-CG2 4.45Å; L20-L49 HydrophobicContact CD1-CD1 3.9Å; L20-L108 HydrophobicContact CD2-CD2 3.52Å; L20-L108 HydrophobicContact CG-CD2 4.45Å; L20-I111 HydrophobicContact CD2-CD1 3.44Å; L20-I111 VanDerWaalsContact CD2-CD1 3.44Å
21	N	95.3	Very high	96.7	Very high	80 Å²	80	71.7 Å²	71.7	43%	0.428	34%	0.335	S	S	.	.	H	α-helix	trans	-64.5	-31.8	177.3	-66.4	-4.5	0	0	0	111.9	K17 E23 E24 Y25 T27	K17-N21 WeakPolarHBondContact O-CB 3.28Å; K17-N21 PolarHBondContact O-N 2.95Å; K17-N21 PolarHBondContact O-ND2 2.89Å; K17-N21 PolarHBondContact O-OD1 3.16Å; N21-E23 PolarHBondContact O-N 2.81Å; N21-E24 PolarHBondContact O-N 2.98Å; N21-Y25 PolarHBondContact OD1-O 2.92Å; N21-T27 WeakPolarHBondContact OD1-CG2 3.46Å; N21-T27 PolarHBondContact OD1-OG1 3Å
22	K	95.4	Very high	96.7	Very high	168 Å²	168	65.5 Å²	65.5	73%	0.73	31%	0.307	S	S	*	.	H	α-helix	trans	-64.9	-27.5	174.5	-173.3	178.8	177.6	-176.2	0	112.5	R18 Y19 L20 E24	R18-K22 WeakPolarHBondContact O-CB 3.47Å; R18-K22 PolarHBondContact O-N 3.34Å; Y19-K22 PolarHBondContact O-N 3.42Å; L20-K22 VanDerWaalsContact C-N 3.25Å; L20-K22 PolarHBondContact O-N 3.04Å; K22-E24 VanDerWaalsContact C-N 3.26Å
23	E	94.3	Very high	96.8	Very high	75 Å²	75	64 Å²	64	35%	0.35	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	18.4	173.5	-60.1	-74.1	144.6	0	0	112	Y19 L20 N21 Y25 L108 K112	Y19-E23 PolarHBondContact O-N 3.38Å; L20-E23 CarbonylContact O-C 3.54Å; L20-E23 PolarHBondContact O-N 2.88Å; N21-E23 PolarHBondContact O-N 2.81Å; E23-Y25 HydrophobicContact CB-CD2 3.82Å; E23-Y25 HydrophobicContact CB-CE2 3.75Å; E23-Y25 PolarHBondContact O-N 2.86Å; E23-L108 HydrophobicContact CG-CD1 3.96Å; E23-L108 HydrophobicContact CG-CD2 3.92Å; E23-K112 IonicContact OE1-NZ 2.69Å; E23-K112 WeakPolarHBondContact OE2-CE 3.28Å; E23-K112 IonicContact OE2-NZ 3.61Å; E23-K112 PolarHBondContact OE2-NZ 2.79Å
24	E	95.5	Very high	96.8	Very high	181 Å²	181	69 Å²	69	85%	0.846	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	21.3	177.7	-51.8	-175.2	131	0	0	114.6	L20 N21 K22	L20-E24 PolarHBondContact O-N 3.13Å; N21-E24 PolarHBondContact O-N 2.98Å; K22-E24 VanDerWaalsContact C-N 3.26Å
25	Y	96.4	Very high	96.8	Very high	43 Å²	43	69.3 Å²	69.3	17%	0.169	32%	0.32	C	S	.	.			trans	-82	135.6	170.1	-58.2	-47.2	0	0	0	110.9	M1 I3 L20 N21 E23 L108 I111	M1-Y25 HydrophobicContact CB-CD1 4.13Å; M1-Y25 HydrophobicContact CE-CD1 3.31Å; M1-Y25 HydrophobicContact CE-CD2 4.37Å; M1-Y25 HydrophobicContact CE-CE1 3.28Å; M1-Y25 HydrophobicContact CE-CE2 4.34Å; M1-Y25 HydrophobicContact CE-CG 3.89Å; M1-Y25 HydrophobicContact SD-CD1 4.32Å; M1-Y25 HydrophobicContact SD-CE1 4.06Å; I3-Y25 HydrophobicContact CD1-CD1 4.42Å; I3-Y25 HydrophobicContact CD1-CD2 3.73Å; I3-Y25 HydrophobicContact CD1-CE2 4.45Å; I3-Y25 HydrophobicContact CD1-CG 3.71Å; I3-Y25 HydrophobicContact CG1-CG 4.49Å; L20-Y25 HydrophobicContact CB-CD2 4.43Å; L20-Y25 HydrophobicContact CD2-CD2 4.03Å; L20-Y25 WeakPolarHBondContact O-CB 3.29Å; L20-Y25 PolarHBondContact O-N 3.1Å; L20-Y25 VanDerWaalsContact O-N 3.12Å; N21-Y25 PolarHBondContact OD1-O 2.92Å; E23-Y25 HydrophobicContact CB-CD2 3.82Å; E23-Y25 HydrophobicContact CB-CE2 3.75Å; E23-Y25 PolarHBondContact O-N 2.86Å; Y25-L108 HydrophobicContact CE2-CD2 4.42Å; Y25-I111 HydrophobicContact CE2-CG2 4.47Å
26	E	97.4	Very high	96.9	Very high	112 Å²	112	66.5 Å²	66.5	52%	0.523	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	137.5	168.9	-174	-170.4	154.2	0	0	108.6	M1 K2 I3	M1-E26 PolarHBondContact O-N 2.82Å; K2-E26 CarbonylContact C-O 3.54Å; K2-E26 WeakPolarHBondContact CA-O 3.34Å; K2-E26 HydrophobicContact CB-CB 4.44Å; K2-E26 HydrophobicContact CG-CG 4.38Å; K2-E26 IonicContact NZ-OE1 3.06Å; I3-E26 PolarHBondContact N-O 2.81Å
27	T	97.8	Very high	96.9	Very high	27 Å²	27	67.7 Å²	67.7	17%	0.166	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	133	179.6	50	0	0	0	0	111.7	I3 I5 L20 N21	I3-T27 WeakPolarHBondContact O-CA 3.42Å; I5-T27 HydrophobicContact CD1-CG2 4.01Å; L20-T27 HydrophobicContact CB-CG2 3.72Å; L20-T27 HydrophobicContact CD1-CG2 3.85Å; L20-T27 HydrophobicContact CG-CG2 4.45Å; N21-T27 WeakPolarHBondContact OD1-CG2 3.46Å; N21-T27 PolarHBondContact OD1-OG1 3Å
28	A	98.1	Very high	96.9	Very high	7 Å²	7	67.1 Å²	67.1	6%	0.058	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.1	164	0	0	0	0	0	108.9	I3 L4 I5 Y39	I3-A28 PolarHBondContact O-N 3.12Å; L4-A28 HydrophobicContact CD1-CB 3.94Å; I5-A28 PolarHBondContact N-O 3.23Å; A28-Y39 HydrophobicContact CB-CE1 3.87Å; A28-Y39 WeakPolarHBondContact CB-OH 3.19Å
29	V	98.3	Very high	97	Very high	37 Å²	37	60.8 Å²	60.8	22%	0.224	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.9	-177.1	-175.1	0	0	0	0	110	I5 V13 K17 H31	I5-V29 CarbonylContact O-C 3.55Å; I5-V29 VanDerWaalsContact O-CA 3.29Å; I5-V29 WeakPolarHBondContact O-CA 3.37Å; V13-V29 HydrophobicContact CG1-CB 4.37Å; V13-V29 HydrophobicContact CG1-CG1 3.67Å; V13-V29 HydrophobicContact CG1-CG2 3.71Å; V13-V29 HydrophobicContact CG2-CG1 3.99Å; K17-V29 HydrophobicContact CD-CG2 3.71Å; K17-V29 HydrophobicContact CG-CG2 4.18Å; V29-H31 VanDerWaalsContact CG1-CE1 3.47Å; V29-H31 WeakPolarHBondContact CG1-CE1 3.26Å; V29-H31 WeakPolarHBondContact CG1-NE2 3.46Å
30	I	98.4	Very high	97.1	Very high	12 Å²	12	57.7 Å²	57.7	6%	0.062	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.8	167.8	-64.6	-65	0	0	0	107.7	L4 I5 I6 E7 D32 E35 A36 Y39	L4-I30 HydrophobicContact CD1-CG1 3.92Å; I5-I30 PolarHBondContact O-N 3.37Å; I6-I30 CarbonylContact C-O 3.54Å; I6-I30 VanDerWaalsContact CA-O 3.27Å; I6-I30 WeakPolarHBondContact CA-O 3.29Å; I6-I30 HydrophobicContact CG1-CB 4.45Å; I6-I30 HydrophobicContact CG2-CB 4.29Å; I6-I30 HydrophobicContact CG2-CG2 4.19Å; E7-I30 PolarHBondContact N-O 3.26Å; I30-D32 WeakPolarHBondContact CG2-O 3.36Å; I30-E35 HydrophobicContact CD1-CB 4.24Å; I30-E35 HydrophobicContact CG2-CB 3.81Å; I30-A36 HydrophobicContact CG2-CB 4.36Å; I30-Y39 HydrophobicContact CD1-CD2 3.86Å; I30-Y39 HydrophobicContact CD1-CG 3.95Å; I30-Y39 HydrophobicContact CG1-CD2 4.48Å; I30-Y39 HydrophobicContact CG1-CG 4.16Å
31	H	98	Very high	97	Very high	76 Å²	76	62.6 Å²	62.6	35%	0.352	30%	0.3	S	S	.	.			trans	-101.6	-17.3	-179.8	-63.9	-69.8	0	0	0	113	E7 D8 V29	E7-H31 PolarHBondContact O-ND1 3.22Å; D8-H31 WeakPolarHBondContact CB-O 3.49Å; V29-H31 VanDerWaalsContact CG1-CE1 3.47Å; V29-H31 WeakPolarHBondContact CG1-CE1 3.26Å; V29-H31 WeakPolarHBondContact CG1-NE2 3.46Å
32	D	97.7	Very high	97.1	Very high	23 Å²	23	66.7 Å²	66.7	12%	0.123	31%	0.314	C	S	.	.	S	Bend	trans	-118.5	126.1	-176.4	-169	-36.4	0	0	0	110.3	I30 K34 E35 N56	I30-D32 WeakPolarHBondContact CG2-O 3.36Å; D32-K34 HydrophobicContact CB-CG 4.49Å; D32-K34 PolarHBondContact O-N 2.74Å; D32-K34 VanDerWaalsContact O-N 3.11Å; D32-K34 WeakPolarHBondContact OD1-CD 3.49Å; D32-K34 VanDerWaalsContact OD1-CG 3.22Å; D32-K34 WeakPolarHBondContact OD1-CG 3.37Å; D32-K34 PolarHBondContact OD1-N 3.35Å; D32-K34 WeakPolarHBondContact OD2-CD 3.22Å; D32-K34 VanDerWaalsContact OD2-CE 3.24Å; D32-K34 WeakPolarHBondContact OD2-CE 3.44Å; D32-K34 IonicContact OD2-NZ 2.71Å; D32-K34 PolarHBondContact OD2-NZ 3.41Å; D32-E35 HydrophobicContact CB-CG 4.38Å; D32-E35 PolarHBondContact O-N 2.87Å; D32-N56 PolarHBondContact OD1-ND2 2.78Å; D32-N56 PolarHBondContact OD2-ND2 3.2Å
33	G	97.1	Very high	97.2	Very high	3 Å²	3	62.5 Å²	62.5	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-58.1	-29.1	-177.4	0	0	0	0	0	113.3	E35 A36 P55	G33-E35 PolarHBondContact O-N 3.26Å; G33-A36 WeakPolarHBondContact O-CB 3.34Å; G33-A36 PolarHBondContact O-N 3.4Å; G33-P55 PolarHBondContact N-O 2.99Å; G33-P55 VanDerWaalsContact N-O 3.13Å
34	K	97.3	Very high	97.2	Very high	110 Å²	110	63.5 Å²	63.5	48%	0.478	31%	0.312	S	S	.	.	H	α-helix	trans	-67	-22.3	177.8	84.5	-163.1	-179.7	-140.8	0	113.4	D32 P38 N56 V57	D32-K34 HydrophobicContact CB-CG 4.49Å; D32-K34 PolarHBondContact O-N 2.74Å; D32-K34 VanDerWaalsContact O-N 3.11Å; D32-K34 WeakPolarHBondContact OD1-CD 3.49Å; D32-K34 VanDerWaalsContact OD1-CG 3.22Å; D32-K34 WeakPolarHBondContact OD1-CG 3.37Å; D32-K34 PolarHBondContact OD1-N 3.35Å; D32-K34 WeakPolarHBondContact OD2-CD 3.22Å; D32-K34 VanDerWaalsContact OD2-CE 3.24Å; D32-K34 WeakPolarHBondContact OD2-CE 3.44Å; D32-K34 IonicContact OD2-NZ 2.71Å; D32-K34 PolarHBondContact OD2-NZ 3.41Å; K34-P38 WeakPolarHBondContact O-CD 3.34Å; K34-N56 HydrophobicContact CB-CB 4.23Å; K34-N56 HydrophobicContact CD-CB 4.49Å; K34-V57 HydrophobicContact CB-CG2 4.25Å
35	E	97.9	Very high	97.3	Very high	94 Å²	94	55.7 Å²	55.7	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-92.2	-15.3	-178.8	-66.4	177.5	-157.2	0	0	112.3	I30 D32 G33 Y39	I30-E35 HydrophobicContact CD1-CB 4.24Å; I30-E35 HydrophobicContact CG2-CB 3.81Å; D32-E35 HydrophobicContact CB-CG 4.38Å; D32-E35 PolarHBondContact O-N 2.87Å; G33-E35 PolarHBondContact O-N 3.26Å; E35-Y39 VanDerWaalsContact O-CB 3.28Å; E35-Y39 WeakPolarHBondContact O-CB 3.5Å; E35-Y39 PolarHBondContact O-N 3.26Å
36	A	97.6	Very high	97.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.8	-56.6	-174.5	0	0	0	0	0	112.8	I6 I30 G33 Y39 F40 I62	I6-A36 HydrophobicContact CD1-CB 3.75Å; I6-A36 HydrophobicContact CG1-CB 4.43Å; I6-A36 HydrophobicContact CG2-CB 4.03Å; I30-A36 HydrophobicContact CG2-CB 4.36Å; G33-A36 WeakPolarHBondContact O-CB 3.34Å; G33-A36 PolarHBondContact O-N 3.4Å; A36-Y39 PolarHBondContact O-N 3.15Å; A36-F40 WeakPolarHBondContact O-CB 3.11Å; A36-F40 PolarHBondContact O-N 3.39Å; A36-I62 HydrophobicContact CB-CD1 3.89Å; A36-I62 HydrophobicContact CB-CG1 4.26Å; A36-I62 HydrophobicContact CB-CG2 3.97Å
37	L	97	Very high	97.3	Very high	28 Å²	28	51.9 Å²	51.9	15%	0.147	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-46.4	-178	-169.8	71.5	0	0	0	112.4	Y39 F40 E41 Q65 I66	L37-Y39 PolarHBondContact O-N 2.82Å; L37-F40 PolarHBondContact O-N 3.37Å; L37-F40 VanDerWaalsContact O-N 3.15Å; L37-E41 HydrophobicContact CG-CG 4.43Å; L37-E41 WeakPolarHBondContact O-CG 3.39Å; L37-E41 PolarHBondContact O-N 2.91Å; L37-Q65 HydrophobicContact CD1-CB 3.97Å; L37-Q65 HydrophobicContact CD2-CB 3.95Å; L37-Q65 HydrophobicContact CD2-CG 4.35Å; L37-I66 HydrophobicContact CD1-CG1 4.24Å
38	P	97.4	Very high	97.3	Very high	59 Å²	59	50.6 Å²	50.6	38%	0.383	26%	0.255	S	S	.	.	H	α-helix	trans	-57.1	-35.8	173.7	-26.4	35.4	0	0	0	114.1	K34 K42	K34-P38 WeakPolarHBondContact O-CD 3.34Å; P38-K42 WeakPolarHBondContact O-CD 3.4Å; P38-K42 WeakPolarHBondContact O-CG 3.21Å
39	Y	98	Very high	97.3	Very high	50 Å²	50	50.4 Å²	50.4	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-68.3	-48.5	174.7	-173.6	-84.2	0	0	0	111.2	K2 L4 A28 I30 E35 A36 L37 E41 K42 H43	K2-Y39 WeakPolarHBondContact CE-OH 3.37Å; K2-Y39 PolarHBondContact NZ-OH 2.85Å; L4-Y39 HydrophobicContact CD1-CD1 3.76Å; L4-Y39 HydrophobicContact CD1-CE1 3.82Å; L4-Y39 HydrophobicContact CD2-CD1 4.1Å; A28-Y39 HydrophobicContact CB-CE1 3.87Å; A28-Y39 WeakPolarHBondContact CB-OH 3.19Å; I30-Y39 HydrophobicContact CD1-CD2 3.86Å; I30-Y39 HydrophobicContact CD1-CG 3.95Å; I30-Y39 HydrophobicContact CG1-CD2 4.48Å; I30-Y39 HydrophobicContact CG1-CG 4.16Å; E35-Y39 VanDerWaalsContact O-CB 3.28Å; E35-Y39 WeakPolarHBondContact O-CB 3.5Å; E35-Y39 PolarHBondContact O-N 3.26Å; A36-Y39 PolarHBondContact O-N 3.15Å; L37-Y39 PolarHBondContact O-N 2.82Å; Y39-E41 VanDerWaalsContact C-N 3.3Å; Y39-E41 PolarHBondContact O-N 2.89Å; Y39-K42 PolarHBondContact O-N 3.32Å; Y39-H43 HydrophobicContact CD1-CB 4.4Å; Y39-H43 AromaticContact CD1-ND1 3.82Å; Y39-H43 AromaticContact CD2-CE1 3.63Å; Y39-H43 AromaticContact CD2-ND1 3.59Å; Y39-H43 HydrophobicContact CE1-CB 3.93Å; Y39-H43 AromaticContact CE1-CG 3.92Å; Y39-H43 AromaticContact CE1-ND1 3.79Å; Y39-H43 AromaticContact CE2-CE1 3.53Å; Y39-H43 AromaticContact CE2-ND1 3.58Å; Y39-H43 AromaticContact CG-ND1 3.71Å; Y39-H43 AromaticContact CZ-CG 3.8Å; Y39-H43 AromaticContact CZ-ND1 3.67Å; Y39-H43 PolarHBondContact O-N 3.11Å; Y39-H43 PolarHBondContact O-ND1 3.39Å
40	F	97.3	Very high	97.2	Very high	24 Å²	24	48.6 Å²	48.6	11%	0.105	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-38.8	-177.8	-173.5	-92.9	0	0	0	112.6	L4 A36 L37 K42 V45 V48 I66 V72	L4-F40 HydrophobicContact CD2-CB 4.5Å; L4-F40 HydrophobicContact CD2-CD2 4.19Å; A36-F40 WeakPolarHBondContact O-CB 3.11Å; A36-F40 PolarHBondContact O-N 3.39Å; L37-F40 PolarHBondContact O-N 3.37Å; L37-F40 VanDerWaalsContact O-N 3.15Å; F40-K42 VanDerWaalsContact C-N 3.33Å; F40-K42 PolarHBondContact O-N 3.42Å; F40-V45 HydrophobicContact CD2-CB 3.88Å; F40-V45 HydrophobicContact CD2-CG1 4.15Å; F40-V45 HydrophobicContact CD2-CG2 3.94Å; F40-V45 HydrophobicContact CE2-CB 3.68Å; F40-V45 HydrophobicContact CE2-CG1 3.89Å; F40-V45 HydrophobicContact CE2-CG2 4.27Å; F40-V48 HydrophobicContact CD2-CG2 4.34Å; F40-V48 HydrophobicContact CE2-CG2 4.02Å; F40-I66 HydrophobicContact CD1-CG1 4.15Å; F40-I66 HydrophobicContact CD1-CG2 4.44Å; F40-I66 HydrophobicContact CD2-CD1 4.24Å; F40-I66 HydrophobicContact CD2-CG1 4.47Å; F40-I66 HydrophobicContact CE1-CG1 4.38Å; F40-I66 HydrophobicContact CE1-CG2 3.84Å; F40-I66 HydrophobicContact CE2-CG2 4.19Å; F40-I66 HydrophobicContact CG-CD1 4.37Å; F40-I66 HydrophobicContact CG-CG1 4.21Å; F40-I66 HydrophobicContact CZ-CG2 3.7Å; F40-V72 HydrophobicContact CE2-CB 4.32Å; F40-V72 HydrophobicContact CE2-CG1 3.68Å; F40-V72 HydrophobicContact CE2-CG2 4.46Å; F40-V72 HydrophobicContact CZ-CB 4.09Å; F40-V72 HydrophobicContact CZ-CG1 3.55Å
41	E	95.9	Very high	97.1	Very high	106 Å²	106	48.2 Å²	48.2	50%	0.495	24%	0.24	S	C	.	.	H	α-helix	trans	-71.8	-25.5	179.4	-69.9	-179.5	164.6	0	0	113.8	L37 Y39 K69	L37-E41 HydrophobicContact CG-CG 4.43Å; L37-E41 WeakPolarHBondContact O-CG 3.39Å; L37-E41 PolarHBondContact O-N 2.91Å; Y39-E41 VanDerWaalsContact C-N 3.3Å; Y39-E41 PolarHBondContact O-N 2.89Å; E41-K69 IonicContact OE1-NZ 3.75Å; E41-K69 PolarHBondContact OE1-NZ 3.08Å
42	K	96.8	Very high	96.9	Very high	166 Å²	166	44.9 Å²	44.9	72%	0.722	23%	0.225	S	C	*	.	H	α-helix	trans	-94.2	-16.5	-176.3	-70.3	176.7	-175.6	174.9	0	113.8	P38 Y39 F40	P38-K42 WeakPolarHBondContact O-CD 3.4Å; P38-K42 WeakPolarHBondContact O-CG 3.21Å; Y39-K42 PolarHBondContact O-N 3.32Å; F40-K42 VanDerWaalsContact C-N 3.33Å; F40-K42 PolarHBondContact O-N 3.42Å
43	H	97.3	Very high	96.5	Very high	79 Å²	79	48.2 Å²	48.2	37%	0.366	24%	0.241	S	C	.	.	S	Bend	trans	-129.1	143	-172.8	-55.3	90.2	0	0	0	110.8	Y39 V45	Y39-H43 HydrophobicContact CD1-CB 4.4Å; Y39-H43 AromaticContact CD1-ND1 3.82Å; Y39-H43 AromaticContact CD2-CE1 3.63Å; Y39-H43 AromaticContact CD2-ND1 3.59Å; Y39-H43 HydrophobicContact CE1-CB 3.93Å; Y39-H43 AromaticContact CE1-CG 3.92Å; Y39-H43 AromaticContact CE1-ND1 3.79Å; Y39-H43 AromaticContact CE2-CE1 3.53Å; Y39-H43 AromaticContact CE2-ND1 3.58Å; Y39-H43 AromaticContact CG-ND1 3.71Å; Y39-H43 AromaticContact CZ-CG 3.8Å; Y39-H43 AromaticContact CZ-ND1 3.67Å; Y39-H43 PolarHBondContact O-N 3.11Å; Y39-H43 PolarHBondContact O-ND1 3.39Å; H43-V45 PolarHBondContact O-N 3.19Å
44	S	94.3	Very high	96.4	Very high	96 Å²	96	48.9 Å²	48.9	67%	0.671	24%	0.244	S	C	*	.			trans	-67	121	169.5	55.4	0	0	0	0	110	K2	K2-S44 WeakPolarHBondContact CD-O 3.35Å
45	V	96.9	Very high	96.3	Very high	18 Å²	18	46.2 Å²	46.2	11%	0.109	24%	0.238	C	C	.	.			trans	-123	128.5	177.1	175.8	0	0	0	0	108.4	L4 F40 H43 F47 V48 V72	L4-V45 HydrophobicContact CB-CG1 3.59Å; L4-V45 HydrophobicContact CB-CG2 4.12Å; L4-V45 HydrophobicContact CD2-CG1 4.49Å; L4-V45 HydrophobicContact CD2-CG2 4.2Å; F40-V45 HydrophobicContact CD2-CB 3.88Å; F40-V45 HydrophobicContact CD2-CG1 4.15Å; F40-V45 HydrophobicContact CD2-CG2 3.94Å; F40-V45 HydrophobicContact CE2-CB 3.68Å; F40-V45 HydrophobicContact CE2-CG1 3.89Å; F40-V45 HydrophobicContact CE2-CG2 4.27Å; H43-V45 PolarHBondContact O-N 3.19Å; V45-F47 WeakPolarHBondContact CG1-O 3.38Å; V45-V48 HydrophobicContact CG1-CG2 3.88Å; V45-V72 HydrophobicContact CG1-CG2 4.42Å; V45-V72 WeakPolarHBondContact O-CG2 3.42Å
46	D	96.2	Very high	96.2	Very high	75 Å²	75	47.5 Å²	47.5	40%	0.401	25%	0.248	S	C	.	.	S	Bend	trans	-97.8	-18.3	-177.5	-60.9	-54.8	0	0	0	112.7	M1 K2 V72 P73	M1-D46 WeakPolarHBondContact CA-OD2 3.29Å; M1-D46 HydrophobicContact CG-CB 3.44Å; M1-D46 VanDerWaalsContact CG-CB 3.44Å; K2-D46 PolarHBondContact N-OD2 3.2Å; K2-D46 PolarHBondContact O-N 3.22Å; D46-V72 VanDerWaalsContact C-CG2 3.46Å; D46-P73 WeakPolarHBondContact O-CD 3.49Å
47	F	97.7	Very high	96.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	146.4	-178.4	-155.9	-78.8	0	0	0	110.1	K2 I3 L4 V45 L49 P73 I75 I111 I114 L115	K2-F47 PolarHBondContact O-N 3.12Å; I3-F47 CarbonylContact C-O 3.6Å; I3-F47 WeakPolarHBondContact CA-O 3.41Å; I3-F47 HydrophobicContact CB-CB 4.47Å; I3-F47 HydrophobicContact CG1-CB 4.03Å; I3-F47 HydrophobicContact CG2-CB 4.33Å; I3-F47 HydrophobicContact CG2-CD1 4.34Å; L4-F47 PolarHBondContact N-O 3.45Å; V45-F47 WeakPolarHBondContact CG1-O 3.38Å; F47-L49 HydrophobicContact CD1-CD2 4.13Å; F47-L49 HydrophobicContact CE1-CD2 3.7Å; F47-P73 HydrophobicContact CD2-CB 3.57Å; F47-P73 HydrophobicContact CD2-CG 4.18Å; F47-P73 HydrophobicContact CE2-CB 3.54Å; F47-P73 HydrophobicContact CE2-CG 4.41Å; F47-P73 HydrophobicContact CG-CB 4.3Å; F47-P73 HydrophobicContact CZ-CB 4.21Å; F47-I75 HydrophobicContact CE1-CB 4.21Å; F47-I75 HydrophobicContact CE1-CD1 3.82Å; F47-I75 HydrophobicContact CE1-CG1 3.68Å; F47-I75 HydrophobicContact CZ-CD1 3.57Å; F47-I75 HydrophobicContact CZ-CG1 3.58Å; F47-I111 HydrophobicContact CD1-CG1 4.4Å; F47-I111 HydrophobicContact CD2-CG2 4.38Å; F47-I111 HydrophobicContact CE1-CG1 3.79Å; F47-I111 HydrophobicContact CE2-CB 4.46Å; F47-I111 HydrophobicContact CE2-CG1 4.39Å; F47-I111 HydrophobicContact CE2-CG2 4.16Å; F47-I111 HydrophobicContact CZ-CB 4.25Å; F47-I111 HydrophobicContact CZ-CG1 3.77Å; F47-I111 HydrophobicContact CZ-CG2 4.37Å; F47-I114 HydrophobicContact CE2-CB 4.07Å; F47-I114 HydrophobicContact CE2-CG2 3.83Å; F47-I114 HydrophobicContact CZ-CB 4.37Å; F47-I114 HydrophobicContact CZ-CD1 4.14Å; F47-I114 HydrophobicContact CZ-CG2 4.33Å; F47-L115 HydrophobicContact CD2-CD1 4.46Å; F47-L115 HydrophobicContact CD2-CD2 4Å; F47-L115 HydrophobicContact CD2-CG 4.17Å; F47-L115 HydrophobicContact CE2-CD2 4.41Å; F47-L115 HydrophobicContact CE2-CG 4.22Å
48	V	98.1	Very high	96	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.4	174.6	-171.5	0	0	0	0	110.6	L4 I6 F40 V45 L50 I66 V72 P73 I74 I75	L4-V48 HydrophobicContact CB-CG2 4.5Å; L4-V48 CarbonylContact O-C 3.6Å; L4-V48 WeakPolarHBondContact O-CA 3.24Å; I6-V48 HydrophobicContact CD1-CG1 3.73Å; I6-V48 HydrophobicContact CG1-CG1 4.27Å; F40-V48 HydrophobicContact CD2-CG2 4.34Å; F40-V48 HydrophobicContact CE2-CG2 4.02Å; V45-V48 HydrophobicContact CG1-CG2 3.88Å; V48-L50 HydrophobicContact CG1-CB 4.09Å; V48-I66 HydrophobicContact CG2-CD1 4.48Å; V48-V72 HydrophobicContact CG2-CG1 3.96Å; V48-V72 HydrophobicContact CG2-CG2 4.41Å; V48-P73 PolarHBondContact N-O 2.83Å; V48-I74 HydrophobicContact CB-CG1 4.04Å; V48-I74 HydrophobicContact CB-CG2 4.4Å; V48-I74 HydrophobicContact CG2-CG1 4.29Å; V48-I74 WeakPolarHBondContact O-CA 3.32Å; V48-I75 PolarHBondContact O-N 3.04Å
49	L	97.8	Very high	95.9	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.7	160.4	-60.1	-177.7	0	0	0	107.2	I3 L4 I5 I6 L16 L20 F47 I75 I77 V107 I111	I3-L49 HydrophobicContact CG2-CD1 4.27Å; I3-L49 HydrophobicContact CG2-CG 4.02Å; L4-L49 PolarHBondContact O-N 2.71Å; I5-L49 HydrophobicContact CG1-CD1 4.41Å; I6-L49 PolarHBondContact N-O 2.85Å; L16-L49 HydrophobicContact CD1-CD1 4.21Å; L16-L49 HydrophobicContact CD2-CD1 4.35Å; L20-L49 HydrophobicContact CD1-CD1 3.9Å; F47-L49 HydrophobicContact CD1-CD2 4.13Å; F47-L49 HydrophobicContact CE1-CD2 3.7Å; L49-I75 WeakPolarHBondContact CA-O 3.25Å; L49-I75 HydrophobicContact CD2-CB 3.87Å; L49-I75 HydrophobicContact CD2-CD1 4.31Å; L49-I75 HydrophobicContact CD2-CG1 4.46Å; L49-I75 HydrophobicContact CD2-CG2 4.46Å; L49-I77 HydrophobicContact CB-CD1 4.02Å; L49-I77 HydrophobicContact CD1-CD1 4.25Å; L49-I77 HydrophobicContact CD2-CD1 4.21Å; L49-I77 HydrophobicContact CG-CD1 4.39Å; L49-V107 HydrophobicContact CD1-CG1 3.9Å; L49-V107 HydrophobicContact CD2-CG1 4.17Å; L49-I111 HydrophobicContact CD1-CD1 4.24Å; L49-I111 HydrophobicContact CD2-CD1 4.09Å; L49-I111 HydrophobicContact CD2-CG1 4.23Å
50	L	97.4	Very high	95.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	116	-167.9	178.5	55.1	0	0	0	111.1	I6 V48 L54 G59 I62 C63 I74 I75 M76 I77	I6-L50 HydrophobicContact CB-CD1 3.76Å; I6-L50 HydrophobicContact CD1-CD1 3.81Å; I6-L50 HydrophobicContact CG1-CD1 4.34Å; I6-L50 HydrophobicContact CG2-CD1 3.99Å; V48-L50 HydrophobicContact CG1-CB 4.09Å; L50-L54 HydrophobicContact CD1-CD1 3.75Å; L50-G59 VanDerWaalsContact CD2-O 3.23Å; L50-G59 WeakPolarHBondContact CD2-O 3.3Å; L50-I62 HydrophobicContact CD1-CB 4.33Å; L50-I62 HydrophobicContact CD1-CD1 4.24Å; L50-I62 HydrophobicContact CD1-CG2 4.06Å; L50-I62 HydrophobicContact CD2-CB 4.28Å; L50-I62 HydrophobicContact CD2-CG2 4.07Å; L50-C63 HydrophobicContact CD2-CB 3.91Å; L50-I74 HydrophobicContact CB-CG2 4.14Å; L50-I74 HydrophobicContact CD2-CG2 4.21Å; L50-I75 PolarHBondContact N-O 2.69Å; L50-M76 CarbonylContact O-C 3.56Å; L50-M76 VanDerWaalsContact O-CA 3.25Å; L50-M76 WeakPolarHBondContact O-CA 3.46Å; L50-I77 PolarHBondContact O-N 3.43Å
51	D	95.6	Very high	95.5	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	144	163.6	-163.9	-1.1	0	0	0	110.6	I6 M53 L54 G59 I77 K100	I6-D51 PolarHBondContact O-N 3.34Å; D51-M53 PolarHBondContact OD1-N 3.29Å; D51-M53 VanDerWaalsContact OD1-N 3.08Å; D51-L54 HydrophobicContact CB-CD2 4.17Å; D51-L54 HydrophobicContact CB-CG 4.18Å; D51-L54 VanDerWaalsContact O-CD1 3.22Å; D51-L54 WeakPolarHBondContact O-CD1 3.42Å; D51-G59 VanDerWaalsContact O-CA 3.31Å; D51-G59 WeakPolarHBondContact O-CA 3.4Å; D51-I77 VanDerWaalsContact CA-O 3.31Å; D51-I77 WeakPolarHBondContact CA-O 3.21Å; D51-K100 IonicContact OD1-NZ 2.8Å; D51-K100 IonicContact OD2-NZ 2.76Å; D51-K100 PolarHBondContact OD2-NZ 3.41Å
52	I	92.8	Very high	95.6	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.036	23%	0.233	C	C	.	.	S	Bend	trans	-79.1	-40	173.9	-61.1	179.1	0	0	0	110	L54 G59 F60 M76 T78 K80	I52-L54 PolarHBondContact O-N 3.48Å; I52-G59 PolarHBondContact O-N 3.15Å; I52-F60 HydrophobicContact CD1-CD1 4.49Å; I52-F60 HydrophobicContact CD1-CE1 3.66Å; I52-F60 HydrophobicContact CD1-CE2 4.41Å; I52-F60 HydrophobicContact CD1-CZ 3.63Å; I52-F60 HydrophobicContact CG1-CE1 4.29Å; I52-F60 HydrophobicContact CG1-CZ 4.36Å; I52-F60 HydrophobicContact CG2-CD2 3.67Å; I52-F60 HydrophobicContact CG2-CE1 4.23Å; I52-F60 HydrophobicContact CG2-CE2 3.33Å; I52-F60 HydrophobicContact CG2-CG 4.28Å; I52-F60 HydrophobicContact CG2-CZ 3.66Å; I52-M76 HydrophobicContact CD1-CB 4.34Å; I52-M76 HydrophobicContact CD1-SD 3.85Å; I52-M76 HydrophobicContact CG1-CB 4.34Å; I52-M76 HydrophobicContact CG1-CG 4.38Å; I52-M76 HydrophobicContact CG1-SD 3.94Å; I52-T78 VanDerWaalsContact CD1-CB 3.5Å; I52-T78 HydrophobicContact CD1-CG2 3.58Å; I52-T78 HydrophobicContact CG1-CG2 4.42Å; I52-K80 HydrophobicContact CG2-CD 4.24Å
53	M	91.1	Very high	95.5	Very high	93 Å²	93	35.5 Å²	35.5	46%	0.458	20%	0.198	S	C	.	.	S	Bend	trans	-93.6	67.1	-173.1	-64	-168.4	-59.3	0	0	111.8	D51 A79 K80	D51-M53 PolarHBondContact OD1-N 3.29Å; D51-M53 VanDerWaalsContact OD1-N 3.08Å; M53-A79 HydrophobicContact CE-CB 3.74Å; M53-K80 HydrophobicContact CG-CD 4.48Å; M53-K80 HydrophobicContact SD-CG 4.36Å
54	L	94.2	Very high	95.4	Very high	17 Å²	17	36.9 Å²	36.9	9%	0.089	21%	0.205	C	C	.	.			trans	-95.9	152	178	-69.4	164.5	0	0	0	111.8	I6 D8 L50 D51 I52 V57 I62	I6-L54 HydrophobicContact CB-CD1 4.31Å; I6-L54 HydrophobicContact CG2-CD1 3.35Å; I6-L54 HydrophobicContact CG2-CD2 4.09Å; I6-L54 HydrophobicContact CG2-CG 4.37Å; D8-L54 HydrophobicContact CB-CD2 4.39Å; L50-L54 HydrophobicContact CD1-CD1 3.75Å; D51-L54 HydrophobicContact CB-CD2 4.17Å; D51-L54 HydrophobicContact CB-CG 4.18Å; D51-L54 VanDerWaalsContact O-CD1 3.22Å; D51-L54 WeakPolarHBondContact O-CD1 3.42Å; I52-L54 PolarHBondContact O-N 3.48Å; L54-V57 WeakPolarHBondContact CB-O 3.19Å; L54-I62 HydrophobicContact CD1-CD1 3.63Å
55	P	94.9	Very high	95.5	Very high	54 Å²	54	35.3 Å²	35.3	35%	0.351	19%	0.187	S	C	.	.	S	Bend	trans	-67	147.1	171.5	27.4	-32.1	0	0	0	111.1	D8 G33 V57	D8-P55 HydrophobicContact CB-CG 4.4Å; G33-P55 PolarHBondContact N-O 2.99Å; G33-P55 VanDerWaalsContact N-O 3.13Å; P55-V57 PolarHBondContact O-N 2.78Å
56	N	97.1	Very high	95.5	Very high	121 Å²	121	34.5 Å²	34.5	65%	0.647	18%	0.182	S	C	*	.	S	Bend	trans	66.7	-47.1	177.2	-52.2	-69.9	0	0	0	117.1	D32 K34	D32-N56 PolarHBondContact OD1-ND2 2.78Å; D32-N56 PolarHBondContact OD2-ND2 3.2Å; K34-N56 HydrophobicContact CB-CB 4.23Å; K34-N56 HydrophobicContact CD-CB 4.49Å
57	V	96.1	Very high	95.3	Very high	38 Å²	38	32.8 Å²	32.8	23%	0.23	17%	0.17	C	C	.	.	S	Bend	trans	-133.4	124	177.3	-172.3	0	0	0	0	108.5	K34 L54 P55 T61 I62	K34-V57 HydrophobicContact CB-CG2 4.25Å; L54-V57 WeakPolarHBondContact CB-O 3.19Å; P55-V57 PolarHBondContact O-N 2.78Å; V57-T61 HydrophobicContact CG1-CG2 3.85Å; V57-I62 HydrophobicContact CB-CD1 4.42Å; V57-I62 HydrophobicContact CB-CG1 4.39Å; V57-I62 HydrophobicContact CG1-CD1 4.32Å; V57-I62 HydrophobicContact CG1-CG1 3.8Å
58	D	94.2	Very high	95	Very high	70 Å²	70	38.9 Å²	38.9	37%	0.374	20%	0.198	S	C	.	.			trans	-72.4	158.9	179.2	63.7	55.8	0	0	0	112.9	F60 T61 I62	D58-F60 VanDerWaalsContact C-N 3.28Å; D58-F60 PolarHBondContact O-N 3.08Å; D58-F60 PolarHBondContact OD1-N 2.77Å; D58-T61 PolarHBondContact O-N 3.4Å; D58-T61 VanDerWaalsContact OD1-CB 3.29Å; D58-T61 WeakPolarHBondContact OD1-CB 3.46Å; D58-T61 PolarHBondContact OD1-N 2.79Å; D58-T61 PolarHBondContact OD1-OG1 3.08Å; D58-T61 PolarHBondContact OD2-OG1 3.1Å; D58-I62 WeakPolarHBondContact O-CG1 3.48Å; D58-I62 PolarHBondContact O-N 2.9Å; D58-I62 VanDerWaalsContact O-N 3.11Å
59	G	94.4	Very high	94.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68	-23.2	-178.6	0	0	0	0	0	114.3	L50 D51 I52 C63	L50-G59 VanDerWaalsContact CD2-O 3.23Å; L50-G59 WeakPolarHBondContact CD2-O 3.3Å; D51-G59 VanDerWaalsContact O-CA 3.31Å; D51-G59 WeakPolarHBondContact O-CA 3.4Å; I52-G59 PolarHBondContact O-N 3.15Å; G59-C63 VanDerWaalsContact O-CB 3.24Å; G59-C63 WeakPolarHBondContact O-CB 3.46Å; G59-C63 PolarHBondContact O-N 3.23Å
60	F	93	Very high	94.5	Very high	25 Å²	25	46.2 Å²	46.2	11%	0.11	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-47.5	174.5	-64.4	-57.7	0	0	0	110.6	I52 D58 I62 C63 Q64 M76 D85 L88 G89 V92	I52-F60 HydrophobicContact CD1-CD1 4.49Å; I52-F60 HydrophobicContact CD1-CE1 3.66Å; I52-F60 HydrophobicContact CD1-CE2 4.41Å; I52-F60 HydrophobicContact CD1-CZ 3.63Å; I52-F60 HydrophobicContact CG1-CE1 4.29Å; I52-F60 HydrophobicContact CG1-CZ 4.36Å; I52-F60 HydrophobicContact CG2-CD2 3.67Å; I52-F60 HydrophobicContact CG2-CE1 4.23Å; I52-F60 HydrophobicContact CG2-CE2 3.33Å; I52-F60 HydrophobicContact CG2-CG 4.28Å; I52-F60 HydrophobicContact CG2-CZ 3.66Å; D58-F60 VanDerWaalsContact C-N 3.28Å; D58-F60 PolarHBondContact O-N 3.08Å; D58-F60 PolarHBondContact OD1-N 2.77Å; F60-I62 PolarHBondContact O-N 3.43Å; F60-C63 WeakPolarHBondContact O-CB 3.5Å; F60-C63 PolarHBondContact O-N 2.92Å; F60-Q64 PolarHBondContact O-N 3.34Å; F60-M76 HydrophobicContact CD1-CE 3.89Å; F60-M76 HydrophobicContact CD1-SD 4.05Å; F60-M76 HydrophobicContact CE1-CE 4.45Å; F60-M76 HydrophobicContact CE1-SD 4Å; F60-D85 WeakPolarHBondContact CE1-O 3.44Å; F60-D85 HydrophobicContact CZ-CB 4.37Å; F60-D85 WeakPolarHBondContact CZ-O 3.29Å; F60-L88 HydrophobicContact CD1-CD2 4.3Å; F60-L88 HydrophobicContact CD1-CG 4.11Å; F60-L88 HydrophobicContact CD2-CD2 3.96Å; F60-L88 HydrophobicContact CE1-CB 4.21Å; F60-L88 HydrophobicContact CE1-CD2 4.19Å; F60-L88 HydrophobicContact CE1-CG 4.04Å; F60-L88 HydrophobicContact CE2-CD2 3.82Å; F60-L88 HydrophobicContact CG-CD2 4.2Å; F60-L88 HydrophobicContact CG-CG 4.42Å; F60-L88 HydrophobicContact CZ-CB 4.34Å; F60-L88 HydrophobicContact CZ-CD2 3.93Å; F60-L88 HydrophobicContact CZ-CG 4.24Å; F60-G89 VanDerWaalsContact CE1-CA 3.44Å; F60-V92 HydrophobicContact CD1-CG2 4.07Å
61	T	94.7	Very high	94.2	Very high	48 Å²	48	49.4 Å²	49.4	29%	0.294	25%	0.254	S	S	.	.	H	α-helix	trans	-61.3	-44.9	177.3	-56.9	0	0	0	0	110.8	V57 D58 C63 Q64 Q65	V57-T61 HydrophobicContact CG1-CG2 3.85Å; D58-T61 PolarHBondContact O-N 3.4Å; D58-T61 VanDerWaalsContact OD1-CB 3.29Å; D58-T61 WeakPolarHBondContact OD1-CB 3.46Å; D58-T61 PolarHBondContact OD1-N 2.79Å; D58-T61 PolarHBondContact OD1-OG1 3.08Å; D58-T61 PolarHBondContact OD2-OG1 3.1Å; T61-C63 PolarHBondContact O-N 3.42Å; T61-Q64 PolarHBondContact O-N 2.99Å; T61-Q65 WeakPolarHBondContact O-CB 3.24Å; T61-Q65 VanDerWaalsContact O-CG 3.29Å; T61-Q65 WeakPolarHBondContact O-CG 3.32Å; T61-Q65 PolarHBondContact O-N 3.39Å
62	I	96.8	Very high	94.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-44.7	176.6	-66.5	162.6	0	0	0	110.9	I6 A36 L50 L54 V57 D58 F60 Q64 Q65 I66	I6-I62 HydrophobicContact CD1-CG2 4.22Å; A36-I62 HydrophobicContact CB-CD1 3.89Å; A36-I62 HydrophobicContact CB-CG1 4.26Å; A36-I62 HydrophobicContact CB-CG2 3.97Å; L50-I62 HydrophobicContact CD1-CB 4.33Å; L50-I62 HydrophobicContact CD1-CD1 4.24Å; L50-I62 HydrophobicContact CD1-CG2 4.06Å; L50-I62 HydrophobicContact CD2-CB 4.28Å; L50-I62 HydrophobicContact CD2-CG2 4.07Å; L54-I62 HydrophobicContact CD1-CD1 3.63Å; V57-I62 HydrophobicContact CB-CD1 4.42Å; V57-I62 HydrophobicContact CB-CG1 4.39Å; V57-I62 HydrophobicContact CG1-CD1 4.32Å; V57-I62 HydrophobicContact CG1-CG1 3.8Å; D58-I62 WeakPolarHBondContact O-CG1 3.48Å; D58-I62 PolarHBondContact O-N 2.9Å; D58-I62 VanDerWaalsContact O-N 3.11Å; F60-I62 PolarHBondContact O-N 3.43Å; I62-Q64 PolarHBondContact O-N 3.5Å; I62-Q65 PolarHBondContact O-N 2.96Å; I62-I66 HydrophobicContact CG2-CD1 3.79Å; I62-I66 HydrophobicContact CG2-CG1 4.4Å; I62-I66 VanDerWaalsContact O-CG1 3.32Å; I62-I66 WeakPolarHBondContact O-CG1 3.27Å; I62-I66 PolarHBondContact O-N 3.25Å
63	C	95.8	Very high	94.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-48.4	178.7	-173.4	0	0	0	0	111.2	L50 G59 F60 T61 Q65 I66 R67 M76 V92	L50-C63 HydrophobicContact CD2-CB 3.91Å; G59-C63 VanDerWaalsContact O-CB 3.24Å; G59-C63 WeakPolarHBondContact O-CB 3.46Å; G59-C63 PolarHBondContact O-N 3.23Å; F60-C63 WeakPolarHBondContact O-CB 3.5Å; F60-C63 PolarHBondContact O-N 2.92Å; T61-C63 PolarHBondContact O-N 3.42Å; C63-Q65 PolarHBondContact O-N 3.48Å; C63-I66 PolarHBondContact O-N 2.91Å; C63-R67 WeakPolarHBondContact O-CB 3.31Å; C63-R67 VanDerWaalsContact O-CG 3.27Å; C63-R67 WeakPolarHBondContact O-CG 3.31Å; C63-R67 PolarHBondContact O-N 3.11Å; C63-M76 HydrophobicContact CB-CE 3.38Å; C63-V92 HydrophobicContact CB-CG2 3.99Å
64	Q	94.7	Very high	94.6	Very high	108 Å²	108	45.9 Å²	45.9	51%	0.505	24%	0.238	S	C	.	.	H	α-helix	trans	-57.5	-47.6	177.3	-173.1	176.6	40.3	0	0	111.6	F60 T61 I62 I66 R67 E68	F60-Q64 PolarHBondContact O-N 3.34Å; T61-Q64 PolarHBondContact O-N 2.99Å; I62-Q64 PolarHBondContact O-N 3.5Å; Q64-I66 VanDerWaalsContact C-N 3.35Å; Q64-I66 PolarHBondContact O-N 3.49Å; Q64-R67 WeakPolarHBondContact O-CB 3.38Å; Q64-R67 PolarHBondContact O-N 3.34Å; Q64-R67 VanDerWaalsContact O-N 3.1Å; Q64-E68 PolarHBondContact O-N 3.4Å; Q64-E68 VanDerWaalsContact O-N 3.08Å
65	Q	95.8	Very high	94.6	Very high	62 Å²	62	45 Å²	45	29%	0.29	23%	0.234	S	C	.	.	H	α-helix	trans	-64.1	-37	178.9	-72.2	176.1	-22.8	0	0	113	L37 T61 I62 C63 R67	L37-Q65 HydrophobicContact CD1-CB 3.97Å; L37-Q65 HydrophobicContact CD2-CB 3.95Å; L37-Q65 HydrophobicContact CD2-CG 4.35Å; T61-Q65 WeakPolarHBondContact O-CB 3.24Å; T61-Q65 VanDerWaalsContact O-CG 3.29Å; T61-Q65 WeakPolarHBondContact O-CG 3.32Å; T61-Q65 PolarHBondContact O-N 3.39Å; I62-Q65 PolarHBondContact O-N 2.96Å; C63-Q65 PolarHBondContact O-N 3.48Å; Q65-R67 VanDerWaalsContact C-N 3.34Å
66	I	96.5	Very high	94.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-64.8	-42.7	172.7	-70	170.7	0	0	0	109.8	L37 F40 V48 I62 C63 Q64 E68 K69 S70 V72 I74	L37-I66 HydrophobicContact CD1-CG1 4.24Å; F40-I66 HydrophobicContact CD1-CG1 4.15Å; F40-I66 HydrophobicContact CD1-CG2 4.44Å; F40-I66 HydrophobicContact CD2-CD1 4.24Å; F40-I66 HydrophobicContact CD2-CG1 4.47Å; F40-I66 HydrophobicContact CE1-CG1 4.38Å; F40-I66 HydrophobicContact CE1-CG2 3.84Å; F40-I66 HydrophobicContact CE2-CG2 4.19Å; F40-I66 HydrophobicContact CG-CD1 4.37Å; F40-I66 HydrophobicContact CG-CG1 4.21Å; F40-I66 HydrophobicContact CZ-CG2 3.7Å; V48-I66 HydrophobicContact CG2-CD1 4.48Å; I62-I66 HydrophobicContact CG2-CD1 3.79Å; I62-I66 HydrophobicContact CG2-CG1 4.4Å; I62-I66 VanDerWaalsContact O-CG1 3.32Å; I62-I66 WeakPolarHBondContact O-CG1 3.27Å; I62-I66 PolarHBondContact O-N 3.25Å; C63-I66 PolarHBondContact O-N 2.91Å; Q64-I66 VanDerWaalsContact C-N 3.35Å; Q64-I66 PolarHBondContact O-N 3.49Å; I66-E68 VanDerWaalsContact C-N 3.33Å; I66-E68 PolarHBondContact O-N 2.7Å; I66-K69 PolarHBondContact O-N 2.82Å; I66-K69 VanDerWaalsContact O-N 3.08Å; I66-S70 PolarHBondContact O-N 2.66Å; I66-V72 HydrophobicContact CG2-CG1 3.62Å; I66-I74 HydrophobicContact CB-CD1 4.16Å; I66-I74 HydrophobicContact CD1-CD1 4.32Å; I66-I74 HydrophobicContact CG2-CD1 3.84Å
67	R	92.6	Very high	94.3	Very high	39 Å²	39	36.9 Å²	36.9	15%	0.147	19%	0.187	C	C	.	.	H	α-helix	trans	-66	-29.8	-177.1	-75	-72.7	175.7	-95.1	1.5	114.4	C63 Q64 Q65 K69 S70 V72 I74 G93 D95	C63-R67 WeakPolarHBondContact O-CB 3.31Å; C63-R67 VanDerWaalsContact O-CG 3.27Å; C63-R67 WeakPolarHBondContact O-CG 3.31Å; C63-R67 PolarHBondContact O-N 3.11Å; Q64-R67 WeakPolarHBondContact O-CB 3.38Å; Q64-R67 PolarHBondContact O-N 3.34Å; Q64-R67 VanDerWaalsContact O-N 3.1Å; Q65-R67 VanDerWaalsContact C-N 3.34Å; R67-K69 PolarHBondContact O-N 2.83Å; R67-K69 VanDerWaalsContact O-N 3.15Å; R67-S70 WeakPolarHBondContact CA-O 3.23Å; R67-S70 PolarHBondContact NH1-O 3.36Å; R67-V72 VanDerWaalsContact CZ-O 3.3Å; R67-V72 PolarHBondContact NH1-O 3.35Å; R67-V72 PolarHBondContact NH2-O 2.91Å; R67-V72 VanDerWaalsContact NH2-O 3.12Å; R67-I74 VanDerWaalsContact NH1-CD1 3.3Å; R67-G93 PolarHBondContact NE-O 3.23Å; R67-G93 PolarHBondContact NH2-O 2.64Å; R67-D95 IonicContact NH2-OD2 2.81Å; R67-D95 PolarHBondContact NH2-OD2 3.17Å
68	E	92.5	Very high	93.7	Very high	129 Å²	129	35.1 Å²	35.1	60%	0.603	18%	0.177	S	C	*	.	H	α-helix	trans	-56.9	-29.5	171.7	-71.2	176	-175.9	0	0	112.5	Q64 I66	Q64-E68 PolarHBondContact O-N 3.4Å; Q64-E68 VanDerWaalsContact O-N 3.08Å; I66-E68 VanDerWaalsContact C-N 3.33Å; I66-E68 PolarHBondContact O-N 2.7Å
69	K	90.9	Very high	93.2	Very high	120 Å²	120	34.2 Å²	34.2	52%	0.522	18%	0.179	S	C	.	.	H	α-helix	trans	-118.4	-22.6	-169.1	-54	-177.7	-170.3	-178.9	0	113.3	E41 I66 R67	E41-K69 IonicContact OE1-NZ 3.75Å; E41-K69 PolarHBondContact OE1-NZ 3.08Å; I66-K69 PolarHBondContact O-N 2.82Å; I66-K69 VanDerWaalsContact O-N 3.08Å; R67-K69 PolarHBondContact O-N 2.83Å; R67-K69 VanDerWaalsContact O-N 3.15Å
70	S	94	Very high	92.3	Very high	35 Å²	35	37.7 Å²	37.7	25%	0.245	19%	0.194	C	C	.	.			trans	-148.9	144.2	-168.6	-174.5	0	0	0	0	113.7	I66 R67 V72	I66-S70 PolarHBondContact O-N 2.66Å; R67-S70 WeakPolarHBondContact CA-O 3.23Å; R67-S70 PolarHBondContact NH1-O 3.36Å; S70-V72 VanDerWaalsContact C-N 3.35Å; S70-V72 WeakPolarHBondContact OG-CB 3.25Å; S70-V72 PolarHBondContact OG-N 3.35Å; S70-V72 VanDerWaalsContact OG-N 3.1Å
71	T	91.5	Very high	91.1	Very high	68 Å²	68	40.3 Å²	40.3	42%	0.417	22%	0.215	S	C	.	.			trans	-99.8	21.9	171.6	62.3	0	0	0	0	111.6	L152	T71-L152 WeakPolarHBondContact CG2-O 3.43Å
72	V	95.1	Very high	90.1	Very high	9 Å²	9	44.4 Å²	44.4	6%	0.055	23%	0.231	C	C	.	.			trans	-52.8	137.6	176.7	69.4	0	0	0	0	109.5	F40 V45 D46 V48 I66 R67 S70 I74	F40-V72 HydrophobicContact CE2-CB 4.32Å; F40-V72 HydrophobicContact CE2-CG1 3.68Å; F40-V72 HydrophobicContact CE2-CG2 4.46Å; F40-V72 HydrophobicContact CZ-CB 4.09Å; F40-V72 HydrophobicContact CZ-CG1 3.55Å; V45-V72 HydrophobicContact CG1-CG2 4.42Å; V45-V72 WeakPolarHBondContact O-CG2 3.42Å; D46-V72 VanDerWaalsContact C-CG2 3.46Å; V48-V72 HydrophobicContact CG2-CG1 3.96Å; V48-V72 HydrophobicContact CG2-CG2 4.41Å; I66-V72 HydrophobicContact CG2-CG1 3.62Å; R67-V72 VanDerWaalsContact CZ-O 3.3Å; R67-V72 PolarHBondContact NH1-O 3.35Å; R67-V72 PolarHBondContact NH2-O 2.91Å; R67-V72 VanDerWaalsContact NH2-O 3.12Å; S70-V72 VanDerWaalsContact C-N 3.35Å; S70-V72 WeakPolarHBondContact OG-CB 3.25Å; S70-V72 PolarHBondContact OG-N 3.35Å; S70-V72 VanDerWaalsContact OG-N 3.1Å; V72-I74 HydrophobicContact CG1-CD1 4.46Å; V72-I74 HydrophobicContact CG1-CG1 4.11Å; V72-I74 PolarHBondContact O-N 2.87Å
73	P	95	Very high	88.8	Confident	19 Å²	19	47.7 Å²	47.7	12%	0.123	25%	0.249	C	C	.	.			trans	-59.7	132.3	175.2	-25.6	34.6	0	0	0	112.4	D46 F47 V48 D95 I114	D46-P73 WeakPolarHBondContact O-CD 3.49Å; F47-P73 HydrophobicContact CD2-CB 3.57Å; F47-P73 HydrophobicContact CD2-CG 4.18Å; F47-P73 HydrophobicContact CE2-CB 3.54Å; F47-P73 HydrophobicContact CE2-CG 4.41Å; F47-P73 HydrophobicContact CG-CB 4.3Å; F47-P73 HydrophobicContact CZ-CB 4.21Å; V48-P73 PolarHBondContact N-O 2.83Å; P73-D95 VanDerWaalsContact CA-OD2 3.22Å; P73-D95 WeakPolarHBondContact CA-OD2 3.22Å; P73-I114 HydrophobicContact CB-CG2 3.63Å; P73-I114 HydrophobicContact CG-CG2 4.2Å
74	I	96	Very high	87.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.7	177.7	-56.4	179.4	0	0	0	109	V48 L50 I66 R67 V72 D95 D96	V48-I74 HydrophobicContact CB-CG1 4.04Å; V48-I74 HydrophobicContact CB-CG2 4.4Å; V48-I74 HydrophobicContact CG2-CG1 4.29Å; V48-I74 WeakPolarHBondContact O-CA 3.32Å; L50-I74 HydrophobicContact CB-CG2 4.14Å; L50-I74 HydrophobicContact CD2-CG2 4.21Å; I66-I74 HydrophobicContact CB-CD1 4.16Å; I66-I74 HydrophobicContact CD1-CD1 4.32Å; I66-I74 HydrophobicContact CG2-CD1 3.84Å; R67-I74 VanDerWaalsContact NH1-CD1 3.3Å; V72-I74 HydrophobicContact CG1-CD1 4.46Å; V72-I74 HydrophobicContact CG1-CG1 4.11Å; V72-I74 PolarHBondContact O-N 2.87Å; I74-D95 PolarHBondContact N-OD2 2.93Å; I74-D95 PolarHBondContact O-N 2.86Å; I74-D96 PolarHBondContact O-N 2.93Å
75	I	94.3	Very high	86.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125	162.6	-62.6	-179.7	0	0	0	108.2	F47 V48 L49 L50 I77 D96 I98 R110 I111 I114	F47-I75 HydrophobicContact CE1-CB 4.21Å; F47-I75 HydrophobicContact CE1-CD1 3.82Å; F47-I75 HydrophobicContact CE1-CG1 3.68Å; F47-I75 HydrophobicContact CZ-CD1 3.57Å; F47-I75 HydrophobicContact CZ-CG1 3.58Å; V48-I75 PolarHBondContact O-N 3.04Å; L49-I75 WeakPolarHBondContact CA-O 3.25Å; L49-I75 HydrophobicContact CD2-CB 3.87Å; L49-I75 HydrophobicContact CD2-CD1 4.31Å; L49-I75 HydrophobicContact CD2-CG1 4.46Å; L49-I75 HydrophobicContact CD2-CG2 4.46Å; L50-I75 PolarHBondContact N-O 2.69Å; I75-I77 HydrophobicContact CG2-CG1 4.23Å; I75-D96 WeakPolarHBondContact CA-O 3.24Å; I75-D96 HydrophobicContact CG1-CB 4.18Å; I75-I98 HydrophobicContact CG2-CB 4.49Å; I75-I98 HydrophobicContact CG2-CD1 3.65Å; I75-I98 HydrophobicContact CG2-CG1 3.69Å; I75-R110 HydrophobicContact CD1-CB 3.77Å; I75-I111 HydrophobicContact CD1-CG1 3.98Å; I75-I114 HydrophobicContact CD1-CD1 3.68Å; I75-I114 HydrophobicContact CG1-CD1 3.47Å; I75-I114 VanDerWaalsContact CG1-CD1 3.47Å
76	M	93.6	Very high	85.4	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	136.2	168	-73.3	-173.3	177.2	0	0	110.9	L50 I52 F60 C63 G89 V92 A94 D96 Y97 I98	L50-M76 CarbonylContact O-C 3.56Å; L50-M76 VanDerWaalsContact O-CA 3.25Å; L50-M76 WeakPolarHBondContact O-CA 3.46Å; I52-M76 HydrophobicContact CD1-CB 4.34Å; I52-M76 HydrophobicContact CD1-SD 3.85Å; I52-M76 HydrophobicContact CG1-CB 4.34Å; I52-M76 HydrophobicContact CG1-CG 4.38Å; I52-M76 HydrophobicContact CG1-SD 3.94Å; F60-M76 HydrophobicContact CD1-CE 3.89Å; F60-M76 HydrophobicContact CD1-SD 4.05Å; F60-M76 HydrophobicContact CE1-CE 4.45Å; F60-M76 HydrophobicContact CE1-SD 4Å; C63-M76 HydrophobicContact CB-CE 3.38Å; M76-G89 WeakPolarHBondContact SD-CA 3.48Å; M76-V92 HydrophobicContact CE-CG2 3.56Å; M76-A94 HydrophobicContact CE-CB 4.15Å; M76-A94 HydrophobicContact CG-CB 3.86Å; M76-A94 HydrophobicContact SD-CB 4.08Å; M76-D96 PolarHBondContact N-O 2.86Å; M76-Y97 CarbonylContact O-C 3.6Å; M76-Y97 VanDerWaalsContact O-CA 3.24Å; M76-Y97 WeakPolarHBondContact O-CA 3.39Å; M76-I98 PolarHBondContact O-N 2.81Å
77	I	92.2	Very high	84.3	Confident	2 Å²	2	47 Å²	47	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	112.8	177.5	-56.4	-175.5	0	0	0	107.9	L16 L49 L50 D51 I75 I98 K100 F102 V107	L16-I77 HydrophobicContact CD1-CD1 4.14Å; L49-I77 HydrophobicContact CB-CD1 4.02Å; L49-I77 HydrophobicContact CD1-CD1 4.25Å; L49-I77 HydrophobicContact CD2-CD1 4.21Å; L49-I77 HydrophobicContact CG-CD1 4.39Å; L50-I77 PolarHBondContact O-N 3.43Å; D51-I77 VanDerWaalsContact CA-O 3.31Å; D51-I77 WeakPolarHBondContact CA-O 3.21Å; I75-I77 HydrophobicContact CG2-CG1 4.23Å; I77-I98 CarbonylContact C-O 3.49Å; I77-I98 WeakPolarHBondContact CA-O 3.33Å; I77-I98 HydrophobicContact CG1-CB 4.39Å; I77-K100 HydrophobicContact CG2-CD 4.48Å; I77-K100 HydrophobicContact CG2-CG 4.02Å; I77-F102 HydrophobicContact CG2-CD1 3.66Å; I77-F102 HydrophobicContact CG2-CE1 3.19Å; I77-F102 HydrophobicContact CG2-CZ 3.98Å; I77-V107 HydrophobicContact CD1-CG1 4.45Å
78	T	83.7	Confident	83.6	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	152.5	-169	-174.7	0	0	0	0	113.5	I52 K80 I98 I99 K100	I52-T78 VanDerWaalsContact CD1-CB 3.5Å; I52-T78 HydrophobicContact CD1-CG2 3.58Å; I52-T78 HydrophobicContact CG1-CG2 4.42Å; T78-K80 VanDerWaalsContact C-N 3.32Å; T78-K80 HydrophobicContact CG2-CB 4.23Å; T78-K80 WeakPolarHBondContact CG2-O 3.49Å; T78-K80 WeakPolarHBondContact OG1-CB 3.33Å; T78-K80 PolarHBondContact OG1-N 2.69Å; T78-I98 PolarHBondContact N-O 3.3Å; T78-I99 CarbonylContact O-C 3.58Å; T78-I99 WeakPolarHBondContact O-CA 3.24Å; T78-K100 PolarHBondContact O-N 3.36Å
79	A	84	Confident	82.9	Confident	50 Å²	50	42.4 Å²	42.4	41%	0.413	24%	0.241	S	C	.	.	S	Bend	trans	-82.4	-11.5	166.5	0	0	0	0	0	112.8	M53 S81 K100	M53-A79 HydrophobicContact CE-CB 3.74Å; A79-S81 PolarHBondContact O-N 2.93Å; A79-S81 VanDerWaalsContact O-N 3.07Å; A79-K100 HydrophobicContact CB-CB 4.27Å; A79-K100 HydrophobicContact CB-CD 4.49Å
80	K	75.1	Confident	82.2	Confident	73 Å²	73	36.8 Å²	36.8	32%	0.317	22%	0.216	S	C	.	.			trans	-69.8	103	174.4	-77.4	173.5	148.6	-106.7	0	109.4	I52 M53 T78 D85	I52-K80 HydrophobicContact CG2-CD 4.24Å; M53-K80 HydrophobicContact CG-CD 4.48Å; M53-K80 HydrophobicContact SD-CG 4.36Å; T78-K80 VanDerWaalsContact C-N 3.32Å; T78-K80 HydrophobicContact CG2-CB 4.23Å; T78-K80 WeakPolarHBondContact CG2-O 3.49Å; T78-K80 WeakPolarHBondContact OG1-CB 3.33Å; T78-K80 PolarHBondContact OG1-N 2.69Å; K80-D85 HydrophobicContact CB-CB 3.79Å; K80-D85 VanDerWaalsContact CB-OD2 3.31Å; K80-D85 WeakPolarHBondContact CB-OD2 3.46Å; K80-D85 HydrophobicContact CD-CB 4.21Å; K80-D85 WeakPolarHBondContact CD-OD2 3.42Å; K80-D85 WeakPolarHBondContact CE-OD2 3.17Å; K80-D85 HydrophobicContact CG-CB 4.46Å; K80-D85 VanDerWaalsContact CG-OD2 3.27Å; K80-D85 WeakPolarHBondContact CG-OD2 3.4Å; K80-D85 IonicContact NZ-OD1 3.59Å; K80-D85 PolarHBondContact NZ-OD1 3.12Å; K80-D85 IonicContact NZ-OD2 2.62Å; K80-D85 PolarHBondContact NZ-OD2 2.84Å
81	S	69.1	Low	81.6	Confident	80 Å²	80	40 Å²	40	56%	0.559	23%	0.227	S	C	*	.			trans	-98.2	0.2	-179.9	57.7	0	0	0	0	113.4	A79	A79-S81 PolarHBondContact O-N 2.93Å; A79-S81 VanDerWaalsContact O-N 3.07Å
82	E	72.3	Confident	81.2	Confident	135 Å²	135	38 Å²	38	63%	0.631	22%	0.215	S	C	*	.			trans	-67.2	136.6	176.1	-66.8	-172.3	-172.8	0	0	110.4	A84 D85 R86	E82-A84 PolarHBondContact O-N 2.91Å; E82-A84 VanDerWaalsContact O-N 3.12Å; E82-D85 PolarHBondContact O-N 2.82Å; E82-D85 VanDerWaalsContact O-N 3.11Å; E82-R86 PolarHBondContact O-N 2.72Å
83	D	69.5	Low	80.6	Confident	68 Å²	68	37.9 Å²	37.9	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-54.2	-35.3	-179.7	-83.1	-31.5	0	0	0	112.3	R86 I87 R190	D83-R86 PolarHBondContact O-N 3.29Å; D83-R86 IonicContact OD1-CZ 2.76Å; D83-R86 IonicContact OD1-NE 2.91Å; D83-R86 IonicContact OD1-NH2 3.81Å; D83-R86 PolarHBondContact OD1-NH2 2.81Å; D83-I87 WeakPolarHBondContact O-CB 3.49Å; D83-I87 WeakPolarHBondContact O-CD1 3.2Å; D83-I87 WeakPolarHBondContact O-CG1 3.42Å; D83-I87 PolarHBondContact O-N 2.99Å; D83-R190 IonicContact OD1-CZ 3.97Å; D83-R190 IonicContact OD1-NH1 3.42Å; D83-R190 PolarHBondContact OD1-NH1 2.91Å; D83-R190 VanDerWaalsContact OD1-NH1 3.07Å; D83-R190 IonicContact OD1-NH2 2.81Å; D83-R190 PolarHBondContact OD1-NH2 3.37Å; D83-R190 IonicContact OD2-CZ 3.76Å; D83-R190 VanDerWaalsContact OD2-CZ 3.25Å; D83-R190 IonicContact OD2-NH1 3.07Å; D83-R190 PolarHBondContact OD2-NH1 3.39Å; D83-R190 IonicContact OD2-NH2 3.4Å; D83-R190 PolarHBondContact OD2-NH2 3.05Å
84	A	72.1	Confident	80.3	Confident	65 Å²	65	37 Å²	37	54%	0.537	21%	0.21	S	C	.	.	H	α-helix	trans	-64.5	-44.5	179.3	0	0	0	0	0	112.7	E82 R86 I87 L88	E82-A84 PolarHBondContact O-N 2.91Å; E82-A84 VanDerWaalsContact O-N 3.12Å; A84-R86 VanDerWaalsContact C-N 3.3Å; A84-R86 PolarHBondContact O-N 2.82Å; A84-I87 PolarHBondContact O-N 3.44Å; A84-L88 WeakPolarHBondContact O-CB 3.27Å; A84-L88 PolarHBondContact O-N 3.17Å
85	D	72.4	Confident	80	Confident	22 Å²	22	37 Å²	37	12%	0.118	21%	0.21	C	C	.	.	H	α-helix	trans	-66.7	-36.1	180	-76.5	-41.4	0	0	0	111.6	F60 K80 E82 G89	F60-D85 WeakPolarHBondContact CE1-O 3.44Å; F60-D85 HydrophobicContact CZ-CB 4.37Å; F60-D85 WeakPolarHBondContact CZ-O 3.29Å; K80-D85 HydrophobicContact CB-CB 3.79Å; K80-D85 VanDerWaalsContact CB-OD2 3.31Å; K80-D85 WeakPolarHBondContact CB-OD2 3.46Å; K80-D85 HydrophobicContact CD-CB 4.21Å; K80-D85 WeakPolarHBondContact CD-OD2 3.42Å; K80-D85 WeakPolarHBondContact CE-OD2 3.17Å; K80-D85 HydrophobicContact CG-CB 4.46Å; K80-D85 VanDerWaalsContact CG-OD2 3.27Å; K80-D85 WeakPolarHBondContact CG-OD2 3.4Å; K80-D85 IonicContact NZ-OD1 3.59Å; K80-D85 PolarHBondContact NZ-OD1 3.12Å; K80-D85 IonicContact NZ-OD2 2.62Å; K80-D85 PolarHBondContact NZ-OD2 2.84Å; E82-D85 PolarHBondContact O-N 2.82Å; E82-D85 VanDerWaalsContact O-N 3.11Å; D85-G89 PolarHBondContact O-N 3.02Å
86	R	71.4	Confident	79.7	Confident	15 Å²	15	37 Å²	37	6%	0.057	21%	0.21	C	C	.	.	H	α-helix	trans	-66.7	-47.3	175.1	174	174.9	68.1	-179.2	9.4	112.3	E82 D83 A84 L88 G89 L90 Y97 D188 R190	E82-R86 PolarHBondContact O-N 2.72Å; D83-R86 PolarHBondContact O-N 3.29Å; D83-R86 IonicContact OD1-CZ 2.76Å; D83-R86 IonicContact OD1-NE 2.91Å; D83-R86 IonicContact OD1-NH2 3.81Å; D83-R86 PolarHBondContact OD1-NH2 2.81Å; A84-R86 VanDerWaalsContact C-N 3.3Å; A84-R86 PolarHBondContact O-N 2.82Å; R86-L88 VanDerWaalsContact C-N 3.27Å; R86-L88 PolarHBondContact O-N 2.93Å; R86-G89 PolarHBondContact O-N 3.5Å; R86-L90 HydrophobicContact CG-CD1 4.24Å; R86-L90 WeakPolarHBondContact O-CG 3.33Å; R86-L90 PolarHBondContact O-N 2.88Å; R86-L90 VanDerWaalsContact O-N 3.17Å; R86-Y97 HydrophobicContact CB-CD2 4.23Å; R86-Y97 HydrophobicContact CB-CE2 4.15Å; R86-Y97 VanDerWaalsContact CD-CE2 3.41Å; R86-Y97 WeakPolarHBondContact CD-OH 3.43Å; R86-Y97 HydrophobicContact CG-CD1 3.88Å; R86-Y97 HydrophobicContact CG-CD2 3.83Å; R86-Y97 HydrophobicContact CG-CE1 3.96Å; R86-Y97 HydrophobicContact CG-CE2 3.82Å; R86-Y97 HydrophobicContact CG-CG 3.87Å; R86-Y97 PolarHBondContact NH1-OH 3.4Å; R86-D188 IonicContact CZ-OD2 2.72Å; R86-D188 VanDerWaalsContact NH1-CB 3.33Å; R86-D188 VanDerWaalsContact NH1-CG 3.27Å; R86-D188 IonicContact NH1-OD2 2.78Å; R86-D188 PolarHBondContact NH1-OD2 3.49Å; R86-D188 IonicContact NH2-OD2 2.97Å; R86-D188 PolarHBondContact NH2-OD2 3.12Å; R86-R190 VanDerWaalsContact NH2-CD 3.26Å; R86-R190 VanDerWaalsContact NH2-CZ 3.33Å; R86-R190 VanDerWaalsContact NH2-NE 3.19Å
87	I	73.1	Confident	79.5	Confident	56 Å²	56	38 Å²	38	29%	0.287	21%	0.213	S	C	.	.	H	α-helix	trans	-58.5	-47.7	177.6	-70.6	163.3	0	0	0	108.7	D83 A84 G89 L90 E91	D83-I87 WeakPolarHBondContact O-CB 3.49Å; D83-I87 WeakPolarHBondContact O-CD1 3.2Å; D83-I87 WeakPolarHBondContact O-CG1 3.42Å; D83-I87 PolarHBondContact O-N 2.99Å; A84-I87 PolarHBondContact O-N 3.44Å; I87-G89 VanDerWaalsContact C-N 3.31Å; I87-G89 PolarHBondContact O-N 3.34Å; I87-L90 PolarHBondContact O-N 3.46Å; I87-L90 VanDerWaalsContact O-N 3.15Å; I87-E91 HydrophobicContact CG2-CG 4.11Å; I87-E91 WeakPolarHBondContact CG2-OE1 3.12Å; I87-E91 WeakPolarHBondContact O-CB 3.32Å; I87-E91 WeakPolarHBondContact O-CG 3.35Å; I87-E91 PolarHBondContact O-N 3.46Å
88	L	78.7	Confident	79.4	Confident	69 Å²	69	37.9 Å²	37.9	36%	0.361	21%	0.213	S	C	.	.	H	α-helix	trans	-56.8	-44.2	177.1	-177.3	62.5	0	0	0	112.1	F60 A84 R86 L90 E91 V92	F60-L88 HydrophobicContact CD1-CD2 4.3Å; F60-L88 HydrophobicContact CD1-CG 4.11Å; F60-L88 HydrophobicContact CD2-CD2 3.96Å; F60-L88 HydrophobicContact CE1-CB 4.21Å; F60-L88 HydrophobicContact CE1-CD2 4.19Å; F60-L88 HydrophobicContact CE1-CG 4.04Å; F60-L88 HydrophobicContact CE2-CD2 3.82Å; F60-L88 HydrophobicContact CG-CD2 4.2Å; F60-L88 HydrophobicContact CG-CG 4.42Å; F60-L88 HydrophobicContact CZ-CB 4.34Å; F60-L88 HydrophobicContact CZ-CD2 3.93Å; F60-L88 HydrophobicContact CZ-CG 4.24Å; A84-L88 WeakPolarHBondContact O-CB 3.27Å; A84-L88 PolarHBondContact O-N 3.17Å; R86-L88 VanDerWaalsContact C-N 3.27Å; R86-L88 PolarHBondContact O-N 2.93Å; L88-L90 VanDerWaalsContact C-N 3.29Å; L88-L90 PolarHBondContact O-N 3.48Å; L88-E91 PolarHBondContact O-N 2.98Å; L88-V92 HydrophobicContact CD1-CG1 4.21Å; L88-V92 WeakPolarHBondContact O-CG1 3.4Å; L88-V92 WeakPolarHBondContact O-CG2 3.38Å; L88-V92 PolarHBondContact O-N 2.92Å
89	G	76.1	Confident	79.6	Confident	2 Å²	2	40.3 Å²	40.3	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-58.8	-40	178.7	0	0	0	0	0	113.6	F60 M76 D85 R86 I87 V92 A94	F60-G89 VanDerWaalsContact CE1-CA 3.44Å; M76-G89 WeakPolarHBondContact SD-CA 3.48Å; D85-G89 PolarHBondContact O-N 3.02Å; R86-G89 PolarHBondContact O-N 3.5Å; I87-G89 VanDerWaalsContact C-N 3.31Å; I87-G89 PolarHBondContact O-N 3.34Å; G89-V92 WeakPolarHBondContact O-CG2 3.42Å; G89-A94 WeakPolarHBondContact O-CB 3.39Å; G89-A94 PolarHBondContact O-N 2.91Å; G89-A94 VanDerWaalsContact O-N 3.12Å
90	L	76.8	Confident	79.9	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-76.5	-38.9	177.7	-63.4	165	0	0	0	111.4	R86 I87 L88 V92 G93 A94 S194 I198	R86-L90 HydrophobicContact CG-CD1 4.24Å; R86-L90 WeakPolarHBondContact O-CG 3.33Å; R86-L90 PolarHBondContact O-N 2.88Å; R86-L90 VanDerWaalsContact O-N 3.17Å; I87-L90 PolarHBondContact O-N 3.46Å; I87-L90 VanDerWaalsContact O-N 3.15Å; L88-L90 VanDerWaalsContact C-N 3.29Å; L88-L90 PolarHBondContact O-N 3.48Å; L90-V92 VanDerWaalsContact C-N 3.31Å; L90-V92 PolarHBondContact O-N 2.76Å; L90-G93 WeakPolarHBondContact O-CA 3.5Å; L90-G93 PolarHBondContact O-N 2.76Å; L90-A94 WeakPolarHBondContact CD2-O 3.38Å; L90-S194 WeakPolarHBondContact CD1-OG 3.18Å; L90-I198 WeakPolarHBondContact O-CD1 3.46Å
91	E	81.3	Confident	80.7	Confident	103 Å²	103	42.5 Å²	42.5	48%	0.481	24%	0.239	S	C	.	.	H	α-helix	trans	-62.8	-33.9	176.4	-75.7	-179.8	169.9	0	0	113	I87 L88 G93	I87-E91 HydrophobicContact CG2-CG 4.11Å; I87-E91 WeakPolarHBondContact CG2-OE1 3.12Å; I87-E91 WeakPolarHBondContact O-CB 3.32Å; I87-E91 WeakPolarHBondContact O-CG 3.35Å; I87-E91 PolarHBondContact O-N 3.46Å; L88-E91 PolarHBondContact O-N 2.98Å; E91-G93 PolarHBondContact O-N 3.14Å
92	V	84.1	Confident	81.7	Confident	27 Å²	27	40.5 Å²	40.5	16%	0.164	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-1.2	172.1	-59.1	0	0	0	0	113.3	F60 C63 M76 L88 G89 L90	F60-V92 HydrophobicContact CD1-CG2 4.07Å; C63-V92 HydrophobicContact CB-CG2 3.99Å; M76-V92 HydrophobicContact CE-CG2 3.56Å; L88-V92 HydrophobicContact CD1-CG1 4.21Å; L88-V92 WeakPolarHBondContact O-CG1 3.4Å; L88-V92 WeakPolarHBondContact O-CG2 3.38Å; L88-V92 PolarHBondContact O-N 2.92Å; G89-V92 WeakPolarHBondContact O-CG2 3.42Å; L90-V92 VanDerWaalsContact C-N 3.31Å; L90-V92 PolarHBondContact O-N 2.76Å
93	G	83	Confident	82.7	Confident	6 Å²	6	36.8 Å²	36.8	6%	0.062	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.8	13.7	168.9	0	0	0	0	0	115.5	R67 L90 E91 D95	R67-G93 PolarHBondContact NE-O 3.23Å; R67-G93 PolarHBondContact NH2-O 2.64Å; L90-G93 WeakPolarHBondContact O-CA 3.5Å; L90-G93 PolarHBondContact O-N 2.76Å; E91-G93 PolarHBondContact O-N 3.14Å; G93-D95 PolarHBondContact O-N 2.71Å
94	A	87.7	Confident	83.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.2	C	C	.	.			trans	-61.8	138.8	172	0	0	0	0	0	110.8	M76 G89 L90 D96 H195	M76-A94 HydrophobicContact CE-CB 4.15Å; M76-A94 HydrophobicContact CG-CB 3.86Å; M76-A94 HydrophobicContact SD-CB 4.08Å; G89-A94 WeakPolarHBondContact O-CB 3.39Å; G89-A94 PolarHBondContact O-N 2.91Å; G89-A94 VanDerWaalsContact O-N 3.12Å; L90-A94 WeakPolarHBondContact CD2-O 3.38Å; A94-D96 VanDerWaalsContact C-N 3.29Å; A94-H195 PolarHBondContact O-CE1 3.37Å; A94-H195 PolarHBondContact O-NE2 3.29Å
95	D	89.4	Confident	84.6	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-74.5	-26.6	177.7	-64	-99.6	0	0	0	111.5	R67 P73 I74 G93 I114 K155 H195	R67-D95 IonicContact NH2-OD2 2.81Å; R67-D95 PolarHBondContact NH2-OD2 3.17Å; P73-D95 VanDerWaalsContact CA-OD2 3.22Å; P73-D95 WeakPolarHBondContact CA-OD2 3.22Å; I74-D95 PolarHBondContact N-OD2 2.93Å; I74-D95 PolarHBondContact O-N 2.86Å; G93-D95 PolarHBondContact O-N 2.71Å; D95-I114 HydrophobicContact CB-CD1 3.98Å; D95-I114 HydrophobicContact CB-CG2 4.43Å; D95-K155 HydrophobicContact CB-CG 4.24Å; D95-H195 PolarHBondContact O-NE2 2.72Å
96	D	88.9	Confident	85.5	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	170.2	177.8	-166.2	9.6	0	0	0	111	I74 I75 M76 A94 R110 I114 Y185	I74-D96 PolarHBondContact O-N 2.93Å; I75-D96 WeakPolarHBondContact CA-O 3.24Å; I75-D96 HydrophobicContact CG1-CB 4.18Å; M76-D96 PolarHBondContact N-O 2.86Å; A94-D96 VanDerWaalsContact C-N 3.29Å; D96-R110 IonicContact OD1-NH1 2.79Å; D96-R110 PolarHBondContact OD1-NH1 3.27Å; D96-R110 WeakPolarHBondContact OD2-CD 3.31Å; D96-R110 WeakPolarHBondContact OD2-CG 3.3Å; D96-R110 IonicContact OD2-CZ 2.82Å; D96-R110 IonicContact OD2-NE 2.91Å; D96-R110 IonicContact OD2-NH1 3.97Å; D96-R110 PolarHBondContact OD2-NH1 3.07Å; D96-I114 HydrophobicContact CB-CD1 3.68Å; D96-Y185 VanDerWaalsContact CG-OH 3.28Å; D96-Y185 PolarHBondContact OD1-OH 3.26Å; D96-Y185 VanDerWaalsContact OD2-CE2 3.29Å; D96-Y185 WeakPolarHBondContact OD2-CE2 3.35Å; D96-Y185 PolarHBondContact OD2-OH 3.07Å
97	Y	88.8	Confident	86.6	Confident	21 Å²	21	39.3 Å²	39.3	8%	0.082	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.7	175.9	98.7	-62.2	0	0	0	111.7	M76 R86 I99 R110 D188	M76-Y97 CarbonylContact O-C 3.6Å; M76-Y97 VanDerWaalsContact O-CA 3.24Å; M76-Y97 WeakPolarHBondContact O-CA 3.39Å; R86-Y97 HydrophobicContact CB-CD2 4.23Å; R86-Y97 HydrophobicContact CB-CE2 4.15Å; R86-Y97 VanDerWaalsContact CD-CE2 3.41Å; R86-Y97 WeakPolarHBondContact CD-OH 3.43Å; R86-Y97 HydrophobicContact CG-CD1 3.88Å; R86-Y97 HydrophobicContact CG-CD2 3.83Å; R86-Y97 HydrophobicContact CG-CE1 3.96Å; R86-Y97 HydrophobicContact CG-CE2 3.82Å; R86-Y97 HydrophobicContact CG-CG 3.87Å; R86-Y97 PolarHBondContact NH1-OH 3.4Å; Y97-I99 HydrophobicContact CD2-CG1 4.14Å; Y97-I99 HydrophobicContact CE2-CD1 3.66Å; Y97-I99 HydrophobicContact CE2-CG1 3.23Å; Y97-I99 VanDerWaalsContact OH-CD1 3.24Å; Y97-I99 WeakPolarHBondContact OH-CD1 3.17Å; Y97-R110 PolarHBondContact O-NH1 3.43Å; Y97-R110 VanDerWaalsContact O-NH1 3.16Å; Y97-D188 HydrophobicContact CE1-CB 4.39Å
98	I	89.8	Confident	87.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	131.6	178	-59.6	178.2	0	0	0	108.9	I75 M76 I77 T78 F102 V107 R110	I75-I98 HydrophobicContact CG2-CB 4.49Å; I75-I98 HydrophobicContact CG2-CD1 3.65Å; I75-I98 HydrophobicContact CG2-CG1 3.69Å; M76-I98 PolarHBondContact O-N 2.81Å; I77-I98 CarbonylContact C-O 3.49Å; I77-I98 WeakPolarHBondContact CA-O 3.33Å; I77-I98 HydrophobicContact CG1-CB 4.39Å; T78-I98 PolarHBondContact N-O 3.3Å; I98-F102 HydrophobicContact CG2-CB 3.5Å; I98-F102 HydrophobicContact CG2-CD1 4.06Å; I98-F102 HydrophobicContact CG2-CG 3.94Å; I98-V107 HydrophobicContact CD1-CB 4.14Å; I98-V107 HydrophobicContact CD1-CG1 4.3Å; I98-V107 HydrophobicContact CD1-CG2 3.75Å; I98-R110 HydrophobicContact CD1-CB 4.43Å
99	I	88.2	Confident	88.2	Confident	53 Å²	53	35.9 Å²	35.9	27%	0.272	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	135.1	176.9	-60.5	179.8	0	0	0	110.3	T78 Y97 P101	T78-I99 CarbonylContact O-C 3.58Å; T78-I99 WeakPolarHBondContact O-CA 3.24Å; Y97-I99 HydrophobicContact CD2-CG1 4.14Å; Y97-I99 HydrophobicContact CE2-CD1 3.66Å; Y97-I99 HydrophobicContact CE2-CG1 3.23Å; Y97-I99 VanDerWaalsContact OH-CD1 3.24Å; Y97-I99 WeakPolarHBondContact OH-CD1 3.17Å; I99-P101 CarbonylContact O-C 3.17Å
100	K	90.4	Very high	88.9	Confident	35 Å²	35	36.1 Å²	36.1	15%	0.152	19%	0.194	C	C	.	.	S	Bend	trans	-78.6	133.9	166.7	-63.4	176.6	-176.9	-178.9	0	109.4	E7 I12 D51 I77 T78 A79 F102	E7-K100 IonicContact OE1-NZ 2.66Å; E7-K100 PolarHBondContact OE1-NZ 3.4Å; E7-K100 VanDerWaalsContact OE2-CE 3.32Å; E7-K100 WeakPolarHBondContact OE2-CE 2.84Å; E7-K100 IonicContact OE2-NZ 2.6Å; E7-K100 PolarHBondContact OE2-NZ 2.83Å; I12-K100 HydrophobicContact CD1-CD 3.88Å; D51-K100 IonicContact OD1-NZ 2.8Å; D51-K100 IonicContact OD2-NZ 2.76Å; D51-K100 PolarHBondContact OD2-NZ 3.41Å; I77-K100 HydrophobicContact CG2-CD 4.48Å; I77-K100 HydrophobicContact CG2-CG 4.02Å; T78-K100 PolarHBondContact O-N 3.36Å; A79-K100 HydrophobicContact CB-CB 4.27Å; A79-K100 HydrophobicContact CB-CD 4.49Å; K100-F102 HydrophobicContact CG-CD1 3.88Å; K100-F102 HydrophobicContact CG-CE1 3.8Å
101	P	91.7	Very high	89.7	Confident	135 Å²	135	36 Å²	36	88%	0.877	19%	0.193	S	C	*	.	S	Bend	cis	-80.2	141.1	0.6	32.9	-34.3	0	0	0	112.3	I99	I99-P101 CarbonylContact O-C 3.17Å
102	F	91	Very high	90.2	Very high	37 Å²	37	35.4 Å²	35.4	16%	0.162	19%	0.189	C	C	.	.			trans	-118.8	162.4	178.5	54.9	-98.9	0	0	0	111.6	I12 L16 I77 I98 K100 V107	I12-F102 HydrophobicContact CG2-CE1 4.3Å; I12-F102 HydrophobicContact CG2-CZ 3.74Å; L16-F102 HydrophobicContact CD1-CZ 4.44Å; L16-F102 HydrophobicContact CD2-CE2 3.8Å; L16-F102 HydrophobicContact CD2-CZ 4.08Å; L16-F102 HydrophobicContact CG-CE2 4.44Å; L16-F102 HydrophobicContact CG-CZ 4.36Å; I77-F102 HydrophobicContact CG2-CD1 3.66Å; I77-F102 HydrophobicContact CG2-CE1 3.19Å; I77-F102 HydrophobicContact CG2-CZ 3.98Å; I98-F102 HydrophobicContact CG2-CB 3.5Å; I98-F102 HydrophobicContact CG2-CD1 4.06Å; I98-F102 HydrophobicContact CG2-CG 3.94Å; K100-F102 HydrophobicContact CG-CD1 3.88Å; K100-F102 HydrophobicContact CG-CE1 3.8Å; F102-V107 HydrophobicContact CD2-CG2 3.44Å; F102-V107 VanDerWaalsContact CD2-CG2 3.44Å; F102-V107 HydrophobicContact CE2-CG2 3.64Å; F102-V107 HydrophobicContact CG-CG2 4.07Å; F102-V107 HydrophobicContact CZ-CG2 4.4Å
103	S	91.6	Very high	90.5	Very high	57 Å²	57	34.4 Å²	34.4	40%	0.399	18%	0.184	S	C	.	.			trans	-88.4	140.7	166	81.8	0	0	0	0	110.4	K105 E106 V107	S103-K105 PolarHBondContact O-N 3.42Å; S103-K105 VanDerWaalsContact O-N 3.14Å; S103-E106 VanDerWaalsContact O-CB 3.31Å; S103-E106 WeakPolarHBondContact O-CB 3.18Å; S103-E106 PolarHBondContact O-N 3.32Å; S103-E106 WeakPolarHBondContact OG-CB 3.32Å; S103-E106 PolarHBondContact OG-N 2.95Å; S103-V107 PolarHBondContact O-N 2.94Å
104	P	90.9	Very high	90.8	Very high	25 Å²	25	34.1 Å²	34.1	16%	0.162	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-27.5	175.9	-25.9	35.9	0	0	0	113	V15 Y19 E106 V107 L108	V15-P104 HydrophobicContact CG1-CB 4.17Å; V15-P104 HydrophobicContact CG1-CG 3.37Å; Y19-P104 HydrophobicContact CD1-CB 3.66Å; Y19-P104 HydrophobicContact CD2-CB 3.46Å; Y19-P104 VanDerWaalsContact CD2-CB 3.46Å; Y19-P104 HydrophobicContact CD2-CG 3.95Å; Y19-P104 HydrophobicContact CE1-CB 3.79Å; Y19-P104 HydrophobicContact CE2-CB 3.59Å; Y19-P104 HydrophobicContact CE2-CG 3.71Å; Y19-P104 HydrophobicContact CG-CB 3.48Å; Y19-P104 VanDerWaalsContact CG-CB 3.48Å; Y19-P104 HydrophobicContact CG-CG 4.46Å; P104-E106 VanDerWaalsContact C-N 3.35Å; P104-V107 PolarHBondContact O-N 3.37Å; P104-L108 WeakPolarHBondContact O-CG 3.44Å; P104-L108 PolarHBondContact O-N 2.99Å; P104-L108 VanDerWaalsContact O-N 3.11Å
105	K	91.1	Very high	90.8	Very high	156 Å²	156	36.6 Å²	36.6	68%	0.678	19%	0.194	S	C	*	.	H	α-helix	trans	-65.7	-36.5	173.9	-69.8	-176.6	178.7	179.4	0	112.3	Y19 S103 L108 S109	Y19-K105 HydrophobicContact CE1-CG 4.48Å; S103-K105 PolarHBondContact O-N 3.42Å; S103-K105 VanDerWaalsContact O-N 3.14Å; K105-L108 PolarHBondContact O-N 3.46Å; K105-S109 WeakPolarHBondContact O-CB 3.47Å; K105-S109 PolarHBondContact O-N 2.88Å; K105-S109 PolarHBondContact O-OG 2.82Å
106	E	92.5	Very high	90.6	Very high	41 Å²	41	41.6 Å²	41.6	19%	0.192	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-43.6	175.8	-176.4	-173.6	171.2	0	0	111.3	S103 P104 L108 S109 R110	S103-E106 VanDerWaalsContact O-CB 3.31Å; S103-E106 WeakPolarHBondContact O-CB 3.18Å; S103-E106 PolarHBondContact O-N 3.32Å; S103-E106 WeakPolarHBondContact OG-CB 3.32Å; S103-E106 PolarHBondContact OG-N 2.95Å; P104-E106 VanDerWaalsContact C-N 3.35Å; E106-L108 VanDerWaalsContact C-N 3.33Å; E106-L108 PolarHBondContact O-N 3.27Å; E106-S109 PolarHBondContact O-N 3.44Å; E106-S109 PolarHBondContact O-OG 3.47Å; E106-R110 WeakPolarHBondContact O-CG 3.47Å; E106-R110 PolarHBondContact O-N 3.11Å; E106-R110 IonicContact OE1-CZ 2.81Å; E106-R110 IonicContact OE1-NE 3.4Å; E106-R110 PolarHBondContact OE1-NE 2.97Å; E106-R110 VanDerWaalsContact OE1-NE 3.07Å; E106-R110 IonicContact OE1-NH2 3.76Å; E106-R110 PolarHBondContact OE1-NH2 3.46Å
107	V	94.3	Very high	89.8	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-60.1	-47.3	176.1	-178.4	0	0	0	0	110.3	L16 L49 I77 I98 F102 S103 P104 S109 R110 I111	L16-V107 HydrophobicContact CD2-CB 4.2Å; L16-V107 HydrophobicContact CD2-CG1 3.9Å; L16-V107 HydrophobicContact CD2-CG2 3.99Å; L49-V107 HydrophobicContact CD1-CG1 3.9Å; L49-V107 HydrophobicContact CD2-CG1 4.17Å; I77-V107 HydrophobicContact CD1-CG1 4.45Å; I98-V107 HydrophobicContact CD1-CB 4.14Å; I98-V107 HydrophobicContact CD1-CG1 4.3Å; I98-V107 HydrophobicContact CD1-CG2 3.75Å; F102-V107 HydrophobicContact CD2-CG2 3.44Å; F102-V107 VanDerWaalsContact CD2-CG2 3.44Å; F102-V107 HydrophobicContact CE2-CG2 3.64Å; F102-V107 HydrophobicContact CG-CG2 4.07Å; F102-V107 HydrophobicContact CZ-CG2 4.4Å; S103-V107 PolarHBondContact O-N 2.94Å; P104-V107 PolarHBondContact O-N 3.37Å; V107-S109 PolarHBondContact O-N 3.45Å; V107-R110 PolarHBondContact O-N 2.9Å; V107-I111 HydrophobicContact CG1-CD1 3.85Å; V107-I111 HydrophobicContact CG1-CG1 4.46Å; V107-I111 VanDerWaalsContact O-CG1 3.25Å; V107-I111 WeakPolarHBondContact O-CG1 3.35Å; V107-I111 PolarHBondContact O-N 3.23Å
108	L	93.3	Very high	88.6	Confident	15 Å²	15	51.3 Å²	51.3	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-41.8	176.5	-75.7	177.3	0	0	0	113.1	Y19 L20 E23 Y25 P104 K105 E106 I111 K112	Y19-L108 HydrophobicContact CD1-CD1 3.82Å; Y19-L108 HydrophobicContact CG-CD1 4.45Å; L20-L108 HydrophobicContact CD2-CD2 3.52Å; L20-L108 HydrophobicContact CG-CD2 4.45Å; E23-L108 HydrophobicContact CG-CD1 3.96Å; E23-L108 HydrophobicContact CG-CD2 3.92Å; Y25-L108 HydrophobicContact CE2-CD2 4.42Å; P104-L108 WeakPolarHBondContact O-CG 3.44Å; P104-L108 PolarHBondContact O-N 2.99Å; P104-L108 VanDerWaalsContact O-N 3.11Å; K105-L108 PolarHBondContact O-N 3.46Å; E106-L108 VanDerWaalsContact C-N 3.33Å; E106-L108 PolarHBondContact O-N 3.27Å; L108-I111 PolarHBondContact O-N 2.88Å; L108-K112 WeakPolarHBondContact O-CB 3.48Å; L108-K112 VanDerWaalsContact O-CG 3.3Å; L108-K112 WeakPolarHBondContact O-CG 3.35Å; L108-K112 PolarHBondContact O-N 2.88Å
109	S	91.3	Very high	87.3	Confident	39 Å²	39	58.6 Å²	58.6	27%	0.273	29%	0.285	S	S	.	.	H	α-helix	trans	-65.6	-40.5	179.8	69.3	0	0	0	0	111.3	K105 E106 V107 K112 A113	K105-S109 WeakPolarHBondContact O-CB 3.47Å; K105-S109 PolarHBondContact O-N 2.88Å; K105-S109 PolarHBondContact O-OG 2.82Å; E106-S109 PolarHBondContact O-N 3.44Å; E106-S109 PolarHBondContact O-OG 3.47Å; V107-S109 PolarHBondContact O-N 3.45Å; S109-K112 PolarHBondContact O-N 3.08Å; S109-A113 WeakPolarHBondContact O-CB 3.34Å; S109-A113 PolarHBondContact O-N 2.75Å
110	R	91.6	Very high	86	Confident	6 Å²	6	57.8 Å²	57.8	2%	0.023	28%	0.28	C	S	.	.	H	α-helix	trans	-68.1	-41.4	176.5	-70.1	170.5	-178.8	-101	18	112.5	I75 D96 Y97 I98 E106 V107 K112 A113 I114 Y185 Y186	I75-R110 HydrophobicContact CD1-CB 3.77Å; D96-R110 IonicContact OD1-NH1 2.79Å; D96-R110 PolarHBondContact OD1-NH1 3.27Å; D96-R110 WeakPolarHBondContact OD2-CD 3.31Å; D96-R110 WeakPolarHBondContact OD2-CG 3.3Å; D96-R110 IonicContact OD2-CZ 2.82Å; D96-R110 IonicContact OD2-NE 2.91Å; D96-R110 IonicContact OD2-NH1 3.97Å; D96-R110 PolarHBondContact OD2-NH1 3.07Å; Y97-R110 PolarHBondContact O-NH1 3.43Å; Y97-R110 VanDerWaalsContact O-NH1 3.16Å; I98-R110 HydrophobicContact CD1-CB 4.43Å; E106-R110 WeakPolarHBondContact O-CG 3.47Å; E106-R110 PolarHBondContact O-N 3.11Å; E106-R110 IonicContact OE1-CZ 2.81Å; E106-R110 IonicContact OE1-NE 3.4Å; E106-R110 PolarHBondContact OE1-NE 2.97Å; E106-R110 VanDerWaalsContact OE1-NE 3.07Å; E106-R110 IonicContact OE1-NH2 3.76Å; E106-R110 PolarHBondContact OE1-NH2 3.46Å; V107-R110 PolarHBondContact O-N 2.9Å; R110-K112 VanDerWaalsContact C-N 3.33Å; R110-K112 PolarHBondContact O-N 3.44Å; R110-A113 PolarHBondContact O-N 3.32Å; R110-I114 WeakPolarHBondContact O-CB 3.39Å; R110-I114 WeakPolarHBondContact O-CG1 3.36Å; R110-I114 PolarHBondContact O-N 2.94Å; R110-Y185 HydrophobicContact CG-CD2 4.47Å; R110-Y185 HydrophobicContact CG-CE2 4.19Å; R110-Y185 PolarHBondContact NH1-OH 3.18Å; R110-Y186 PolarHBondContact NH2-O 3.14Å
111	I	93.7	Very high	84.2	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-56.5	-50	171	-69.5	166.2	0	0	0	110	M1 I3 L20 Y25 F47 L49 I75 V107 L108 A113 I114 L115	M1-I111 HydrophobicContact CE-CG2 4.42Å; I3-I111 HydrophobicContact CD1-CD1 4.31Å; I3-I111 HydrophobicContact CD1-CG2 4.49Å; L20-I111 HydrophobicContact CD2-CD1 3.44Å; L20-I111 VanDerWaalsContact CD2-CD1 3.44Å; Y25-I111 HydrophobicContact CE2-CG2 4.47Å; F47-I111 HydrophobicContact CD1-CG1 4.4Å; F47-I111 HydrophobicContact CD2-CG2 4.38Å; F47-I111 HydrophobicContact CE1-CG1 3.79Å; F47-I111 HydrophobicContact CE2-CB 4.46Å; F47-I111 HydrophobicContact CE2-CG1 4.39Å; F47-I111 HydrophobicContact CE2-CG2 4.16Å; F47-I111 HydrophobicContact CZ-CB 4.25Å; F47-I111 HydrophobicContact CZ-CG1 3.77Å; F47-I111 HydrophobicContact CZ-CG2 4.37Å; L49-I111 HydrophobicContact CD1-CD1 4.24Å; L49-I111 HydrophobicContact CD2-CD1 4.09Å; L49-I111 HydrophobicContact CD2-CG1 4.23Å; I75-I111 HydrophobicContact CD1-CG1 3.98Å; V107-I111 HydrophobicContact CG1-CD1 3.85Å; V107-I111 HydrophobicContact CG1-CG1 4.46Å; V107-I111 VanDerWaalsContact O-CG1 3.25Å; V107-I111 WeakPolarHBondContact O-CG1 3.35Å; V107-I111 PolarHBondContact O-N 3.23Å; L108-I111 PolarHBondContact O-N 2.88Å; I111-A113 PolarHBondContact O-N 3.41Å; I111-I114 PolarHBondContact O-N 3.25Å; I111-L115 HydrophobicContact CG2-CD1 3.54Å; I111-L115 HydrophobicContact CG2-CG 4.31Å; I111-L115 WeakPolarHBondContact O-CB 3.49Å; I111-L115 VanDerWaalsContact O-CG 3.24Å; I111-L115 WeakPolarHBondContact O-CG 3.44Å; I111-L115 PolarHBondContact O-N 2.86Å
112	K	91.3	Very high	82.2	Confident	89 Å²	89	64 Å²	64	39%	0.387	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-42.1	178.6	-73.8	177.2	179.8	-177.2	0	112.1	E23 L108 S109 R110 L115 R116	E23-K112 IonicContact OE1-NZ 2.69Å; E23-K112 WeakPolarHBondContact OE2-CE 3.28Å; E23-K112 IonicContact OE2-NZ 3.61Å; E23-K112 PolarHBondContact OE2-NZ 2.79Å; L108-K112 WeakPolarHBondContact O-CB 3.48Å; L108-K112 VanDerWaalsContact O-CG 3.3Å; L108-K112 WeakPolarHBondContact O-CG 3.35Å; L108-K112 PolarHBondContact O-N 2.88Å; S109-K112 PolarHBondContact O-N 3.08Å; R110-K112 VanDerWaalsContact C-N 3.33Å; R110-K112 PolarHBondContact O-N 3.44Å; K112-L115 PolarHBondContact O-N 3.32Å; K112-R116 WeakPolarHBondContact O-CB 3.36Å; K112-R116 PolarHBondContact O-N 3.22Å
113	A	89.1	Confident	80.5	Confident	7 Å²	7	68.7 Å²	68.7	6%	0.058	32%	0.318	C	S	.	.	H	α-helix	trans	-62.2	-42.9	176.7	0	0	0	0	0	112.1	S109 R110 I111 W181	S109-A113 WeakPolarHBondContact O-CB 3.34Å; S109-A113 PolarHBondContact O-N 2.75Å; R110-A113 PolarHBondContact O-N 3.32Å; I111-A113 PolarHBondContact O-N 3.41Å; A113-W181 WeakPolarHBondContact CB-O 3.09Å
114	I	89.7	Confident	78.8	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-70.8	-32.5	176.9	-67.2	173.8	0	0	0	111.2	F47 P73 I75 D95 D96 R110 I111 K154	F47-I114 HydrophobicContact CE2-CB 4.07Å; F47-I114 HydrophobicContact CE2-CG2 3.83Å; F47-I114 HydrophobicContact CZ-CB 4.37Å; F47-I114 HydrophobicContact CZ-CD1 4.14Å; F47-I114 HydrophobicContact CZ-CG2 4.33Å; P73-I114 HydrophobicContact CB-CG2 3.63Å; P73-I114 HydrophobicContact CG-CG2 4.2Å; I75-I114 HydrophobicContact CD1-CD1 3.68Å; I75-I114 HydrophobicContact CG1-CD1 3.47Å; I75-I114 VanDerWaalsContact CG1-CD1 3.47Å; D95-I114 HydrophobicContact CB-CD1 3.98Å; D95-I114 HydrophobicContact CB-CG2 4.43Å; D96-I114 HydrophobicContact CB-CD1 3.68Å; R110-I114 WeakPolarHBondContact O-CB 3.39Å; R110-I114 WeakPolarHBondContact O-CG1 3.36Å; R110-I114 PolarHBondContact O-N 2.94Å; I111-I114 PolarHBondContact O-N 3.25Å; I114-K154 WeakPolarHBondContact O-CD 3.48Å; I114-K154 WeakPolarHBondContact O-CE 3.39Å; I114-K154 PolarHBondContact O-NZ 2.8Å
115	L	88.4	Confident	77.4	Confident	52 Å²	52	75.9 Å²	75.9	27%	0.272	37%	0.366	S	S	.	.	H	α-helix	trans	-81.9	-25.3	178.3	-69.1	170.9	0	0	0	113.7	M1 F47 I111 K112 R117 K154	M1-L115 HydrophobicContact CE-CD1 3.43Å; M1-L115 VanDerWaalsContact CE-CD1 3.43Å; M1-L115 HydrophobicContact SD-CD1 3.38Å; M1-L115 WeakPolarHBondContact SD-CD1 3.45Å; M1-L115 HydrophobicContact SD-CD2 3.9Å; M1-L115 HydrophobicContact SD-CG 4.29Å; F47-L115 HydrophobicContact CD2-CD1 4.46Å; F47-L115 HydrophobicContact CD2-CD2 4Å; F47-L115 HydrophobicContact CD2-CG 4.17Å; F47-L115 HydrophobicContact CE2-CD2 4.41Å; F47-L115 HydrophobicContact CE2-CG 4.22Å; I111-L115 HydrophobicContact CG2-CD1 3.54Å; I111-L115 HydrophobicContact CG2-CG 4.31Å; I111-L115 WeakPolarHBondContact O-CB 3.49Å; I111-L115 VanDerWaalsContact O-CG 3.24Å; I111-L115 WeakPolarHBondContact O-CG 3.44Å; I111-L115 PolarHBondContact O-N 2.86Å; K112-L115 PolarHBondContact O-N 3.32Å; L115-R117 PolarHBondContact O-N 3.48Å; L115-K154 PolarHBondContact O-NZ 3.16Å
116	R	84.4	Confident	76.3	Confident	104 Å²	104	70.6 Å²	70.6	39%	0.392	35%	0.347	S	S	.	.	S	Bend	trans	-53.7	130.5	-178.8	-174.4	170.8	63.5	-126.6	-11.6	111.6	K112 I118 K154 W181	K112-R116 WeakPolarHBondContact O-CB 3.36Å; K112-R116 PolarHBondContact O-N 3.22Å; R116-I118 PolarHBondContact O-N 2.98Å; R116-K154 PolarHBondContact O-NZ 3.06Å; R116-W181 PolarHBondContact NH2-O 3.35Å
117	R	72.4	Confident	75.9	Confident	189 Å²	189	71.8 Å²	71.8	71%	0.713	35%	0.354	S	S	*	.			trans	-77.8	116.7	173.4	-68.8	-179.1	-179.5	179.9	-0.7	108.9	L115 H119	L115-R117 PolarHBondContact O-N 3.48Å; R117-H119 PolarHBondContact O-N 3.15Å; R117-H119 PolarHBondContact O-ND1 2.93Å
118	I	65	Low	75.7	Confident	37 Å²	37	75.6 Å²	75.6	19%	0.19	37%	0.372	C	S	.	.			trans	-67.9	108.6	167.5	-57.2	-179.5	0	0	0	107.7	R116 F120 E158 V180	R116-I118 PolarHBondContact O-N 2.98Å; I118-F120 VanDerWaalsContact C-N 3.28Å; I118-F120 HydrophobicContact CB-CD2 4.26Å; I118-F120 HydrophobicContact CB-CE2 3.84Å; I118-F120 HydrophobicContact CB-CZ 4.06Å; I118-F120 HydrophobicContact CD1-CZ 4.19Å; I118-F120 HydrophobicContact CG2-CD1 3.81Å; I118-F120 HydrophobicContact CG2-CD2 3.77Å; I118-F120 HydrophobicContact CG2-CE1 3.64Å; I118-F120 HydrophobicContact CG2-CE2 3.59Å; I118-F120 HydrophobicContact CG2-CG 3.87Å; I118-F120 HydrophobicContact CG2-CZ 3.52Å; I118-F120 PolarHBondContact O-N 3.11Å; I118-F120 VanDerWaalsContact O-N 3.16Å; I118-E158 HydrophobicContact CD1-CB 3.72Å; I118-E158 HydrophobicContact CD1-CG 3.58Å; I118-E158 WeakPolarHBondContact CD1-OE2 3.47Å; I118-E158 HydrophobicContact CG1-CG 4.23Å; I118-V180 HydrophobicContact CD1-CB 4.43Å; I118-V180 HydrophobicContact CD1-CG1 4.42Å
119	H	61.7	Low	75.6	Confident	152 Å²	152	76.1 Å²	76.1	70%	0.704	38%	0.375	S	S	*	.			trans	-81.8	86.3	166.6	-74.9	66.9	0	0	0	106.3	R117 E121	R117-H119 PolarHBondContact O-N 3.15Å; R117-H119 PolarHBondContact O-ND1 2.93Å; H119-E121 PolarHBondContact O-N 2.76Å; H119-E121 VanDerWaalsContact O-N 3.09Å
120	F	59.9	Low	75.5	Confident	37 Å²	37	77.9 Å²	77.9	16%	0.162	39%	0.387	C	S	.	.			trans	-63.4	115.7	164.3	-57.5	-84.4	0	0	0	105.9	I118 K122 E158 V161 L162 K165	I118-F120 VanDerWaalsContact C-N 3.28Å; I118-F120 HydrophobicContact CB-CD2 4.26Å; I118-F120 HydrophobicContact CB-CE2 3.84Å; I118-F120 HydrophobicContact CB-CZ 4.06Å; I118-F120 HydrophobicContact CD1-CZ 4.19Å; I118-F120 HydrophobicContact CG2-CD1 3.81Å; I118-F120 HydrophobicContact CG2-CD2 3.77Å; I118-F120 HydrophobicContact CG2-CE1 3.64Å; I118-F120 HydrophobicContact CG2-CE2 3.59Å; I118-F120 HydrophobicContact CG2-CG 3.87Å; I118-F120 HydrophobicContact CG2-CZ 3.52Å; I118-F120 PolarHBondContact O-N 3.11Å; I118-F120 VanDerWaalsContact O-N 3.16Å; F120-K122 PolarHBondContact O-N 2.83Å; F120-E158 HydrophobicContact CZ-CB 4.42Å; F120-E158 WeakPolarHBondContact CZ-O 3.46Å; F120-V161 HydrophobicContact CD1-CG1 3.89Å; F120-V161 HydrophobicContact CD2-CB 4.35Å; F120-V161 HydrophobicContact CD2-CG1 3.44Å; F120-V161 VanDerWaalsContact CD2-CG1 3.44Å; F120-V161 HydrophobicContact CE1-CB 4.29Å; F120-V161 HydrophobicContact CE1-CG1 3.8Å; F120-V161 HydrophobicContact CE2-CB 3.76Å; F120-V161 HydrophobicContact CE2-CG1 3.34Å; F120-V161 HydrophobicContact CE2-CG2 4.41Å; F120-V161 HydrophobicContact CG-CG1 3.71Å; F120-V161 HydrophobicContact CZ-CB 3.72Å; F120-V161 HydrophobicContact CZ-CG1 3.53Å; F120-L162 HydrophobicContact CE1-CB 4.22Å; F120-L162 HydrophobicContact CE1-CD1 4.34Å; F120-K165 HydrophobicContact CB-CD 3.92Å; F120-K165 HydrophobicContact CD1-CD 4.14Å; F120-K165 HydrophobicContact CG-CD 4.31Å
121	E	54	Low	75.4	Confident	173 Å²	173	81.1 Å²	81.1	81%	0.808	41%	0.405	S	S	*	.			trans	-35.2	107.1	-175.9	-70.8	-176.9	162.8	0	0	109.6	H119 E123 K165	H119-E121 PolarHBondContact O-N 2.76Å; H119-E121 VanDerWaalsContact O-N 3.09Å; E121-E123 PolarHBondContact O-N 2.84Å; E121-E123 VanDerWaalsContact O-N 3.16Å; E121-K165 PolarHBondContact O-NZ 2.72Å
122	K	48.6	Very low	75.2	Confident	127 Å²	127	85.1 Å²	85.1	55%	0.552	45%	0.445	S	S	*	.			trans	-73.3	107.9	179.9	-80.5	-168.9	172.6	-160.1	0	104.4	F120 P124 E139	F120-K122 PolarHBondContact O-N 2.83Å; K122-P124 WeakPolarHBondContact O-CD 3.43Å; K122-E139 IonicContact NZ-OE1 3.88Å; K122-E139 PolarHBondContact NZ-OE1 3.47Å
123	E	55	Low	75.1	Confident	136 Å²	136	83.6 Å²	83.6	64%	0.636	45%	0.446	S	S	*	.			trans	-57.3	121.7	138.8	-76.9	-162.1	172.3	0	0	105.5	E121 S125 V126	E121-E123 PolarHBondContact O-N 2.84Å; E121-E123 VanDerWaalsContact O-N 3.16Å; E123-S125 PolarHBondContact O-N 3.37Å; E123-V126 HydrophobicContact CB-CG2 3.93Å; E123-V126 PolarHBondContact O-N 2.94Å
124	P	56.6	Low	75.3	Confident	132 Å²	132	84 Å²	84	86%	0.857	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-13.4	-168.5	-29	35.8	0	0	0	115.5	K122	K122-P124 WeakPolarHBondContact O-CD 3.43Å
125	S	62.2	Low	75.5	Confident	100 Å²	100	88.3 Å²	88.3	70%	0.699	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-13	-176.6	47.1	0	0	0	0	114.9	E123 N127	E123-S125 PolarHBondContact O-N 3.37Å; S125-N127 PolarHBondContact O-N 3.34Å
126	V	67.2	Low	75.8	Confident	46 Å²	46	85.9 Å²	85.9	28%	0.279	45%	0.451	S	S	.	.			trans	-98.4	87.8	-170.6	-172.3	0	0	0	0	110.9	E123 Q128 L129	E123-V126 HydrophobicContact CB-CG2 3.93Å; E123-V126 PolarHBondContact O-N 2.94Å; V126-Q128 VanDerWaalsContact CG1-O 3.27Å; V126-Q128 WeakPolarHBondContact CG1-O 3.31Å; V126-L129 HydrophobicContact CG1-CD2 3.82Å
127	N	83.9	Confident	76.2	Confident	65 Å²	65	83 Å²	83	35%	0.348	44%	0.441	S	S	.	.	S	Bend	trans	-92.4	-4.9	172.5	-83.3	-5.2	0	0	0	113.6	S125 L138 E139	S125-N127 PolarHBondContact O-N 3.34Å; N127-L138 PolarHBondContact O-N 2.96Å; N127-E139 PolarHBondContact ND2-OE1 3.16Å; N127-E139 VanDerWaalsContact ND2-OE1 3.14Å; N127-E139 PolarHBondContact ND2-OE2 3.28Å; N127-E139 PolarHBondContact OD1-OE1 3.49Å
128	Q	90.1	Very high	77	Confident	82 Å²	82	75.7 Å²	75.7	38%	0.383	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	138.5	179	-175.4	-174.2	-43.2	0	0	110.8	V126 S130 L136 F137	V126-Q128 VanDerWaalsContact CG1-O 3.27Å; V126-Q128 WeakPolarHBondContact CG1-O 3.31Å; Q128-S130 PolarHBondContact NE2-OG 3.17Å; Q128-S130 VanDerWaalsContact NE2-OG 3.15Å; Q128-L136 CarbonylContact C-O 3.34Å; Q128-L136 WeakPolarHBondContact CA-O 3.37Å; Q128-L136 WeakPolarHBondContact CG-O 3.5Å; Q128-F137 HydrophobicContact CG-CD1 4.31Å; Q128-F137 HydrophobicContact CG-CE1 4.22Å; Q128-F137 VanDerWaalsContact OE1-CE1 3.22Å
129	L	91.2	Very high	77.9	Confident	25 Å²	25	79.9 Å²	79.9	13%	0.131	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	146.3	165.8	-60.4	172.1	0	0	0	109.3	V126 R135 L136 L138 V161 A164 K165	V126-L129 HydrophobicContact CG1-CD2 3.82Å; L129-R135 WeakPolarHBondContact O-CA 3.49Å; L129-L136 HydrophobicContact CB-CB 4.3Å; L129-L136 HydrophobicContact CB-CD1 4.48Å; L129-L136 PolarHBondContact N-O 3.47Å; L129-L136 PolarHBondContact O-N 2.92Å; L129-L138 HydrophobicContact CD1-CD1 4.45Å; L129-L138 HydrophobicContact CD1-CD2 4.03Å; L129-L138 HydrophobicContact CG-CD1 4.33Å; L129-L138 HydrophobicContact CG-CD2 4.26Å; L129-V161 HydrophobicContact CD1-CG1 3.85Å; L129-A164 HydrophobicContact CB-CB 4.14Å; L129-A164 HydrophobicContact CD1-CB 4.11Å; L129-K165 HydrophobicContact CD1-CG 3.56Å; L129-K165 HydrophobicContact CD2-CG 4.31Å
130	S	90.3	Very high	79.2	Confident	76 Å²	76	80.3 Å²	80.3	53%	0.531	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.1	176	-49.6	0	0	0	0	109.9	Q128 L134	Q128-S130 PolarHBondContact NE2-OG 3.17Å; Q128-S130 VanDerWaalsContact NE2-OG 3.15Å; S130-L134 CarbonylContact C-O 3.54Å; S130-L134 VanDerWaalsContact CA-O 3.28Å; S130-L134 WeakPolarHBondContact CA-O 3.29Å
131	L	88.7	Confident	80.5	Confident	75 Å²	75	84 Å²	84	39%	0.393	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	103.8	177	-177.7	63.7	0	0	0	108.9	S133 L134 A164 P167	L131-S133 PolarHBondContact O-N 3.26Å; L131-L134 PolarHBondContact N-O 2.96Å; L131-L134 VanDerWaalsContact O-CB 3.28Å; L131-L134 WeakPolarHBondContact O-CB 3.48Å; L131-L134 PolarHBondContact O-N 3.07Å; L131-A164 HydrophobicContact CB-CB 4.48Å; L131-P167 HydrophobicContact CD1-CB 3.64Å; L131-P167 HydrophobicContact CD1-CG 4.44Å; L131-P167 HydrophobicContact CD2-CB 4.31Å
132	G	88.8	Confident	82.4	Confident	83 Å²	83	77.7 Å²	77.7	86%	0.856	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-123.4	-171.4	0	0	0	0	0	111.3
133	S	91	Very high	84.5	Confident	57 Å²	57	71.8 Å²	71.8	40%	0.399	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-8.6	176.4	61.8	0	0	0	0	114.3	L131 N146	L131-S133 PolarHBondContact O-N 3.26Å; S133-N146 WeakPolarHBondContact CB-OD1 3.25Å; S133-N146 PolarHBondContact OG-OD1 2.97Å; S133-N146 VanDerWaalsContact OG-OD1 3.06Å
134	L	92.6	Very high	86.4	Confident	17 Å²	17	66.3 Å²	66.3	9%	0.089	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	130	176.1	178.3	66.7	0	0	0	110.3	S130 L131 L136 I144 V145 L160	S130-L134 CarbonylContact C-O 3.54Å; S130-L134 VanDerWaalsContact CA-O 3.28Å; S130-L134 WeakPolarHBondContact CA-O 3.29Å; L131-L134 PolarHBondContact N-O 2.96Å; L131-L134 VanDerWaalsContact O-CB 3.28Å; L131-L134 WeakPolarHBondContact O-CB 3.48Å; L131-L134 PolarHBondContact O-N 3.07Å; L134-L136 HydrophobicContact CD1-CD2 3.82Å; L134-L136 HydrophobicContact CD1-CG 4.28Å; L134-L136 HydrophobicContact CD2-CD1 4.19Å; L134-L136 HydrophobicContact CD2-CD2 4.26Å; L134-L136 HydrophobicContact CD2-CG 4.14Å; L134-L136 HydrophobicContact CG-CD2 4.15Å; L134-L136 HydrophobicContact CG-CG 4.06Å; L134-I144 CarbonylContact C-O 3.49Å; L134-I144 WeakPolarHBondContact CA-O 3.33Å; L134-V145 HydrophobicContact CB-CG2 4.44Å; L134-V145 HydrophobicContact CD1-CG2 3.53Å; L134-L160 HydrophobicContact CD1-CD1 4.31Å; L134-L160 HydrophobicContact CD2-CD1 4.43Å; L134-L160 HydrophobicContact CD2-CD2 4.12Å
135	R	94.3	Very high	88.2	Confident	90 Å²	90	60.6 Å²	60.6	34%	0.34	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.5	168.5	-67.3	-178.3	-72.5	165.8	-3	109.2	L129 F137 A143 I144	L129-R135 WeakPolarHBondContact O-CA 3.49Å; R135-F137 HydrophobicContact CB-CE2 4.23Å; R135-A143 WeakPolarHBondContact O-CA 3.48Å; R135-I144 HydrophobicContact CB-CB 4.4Å; R135-I144 PolarHBondContact N-O 2.7Å; R135-I144 PolarHBondContact O-N 3.24Å
136	L	93.9	Very high	89.5	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.9	178.4	-59.7	173.2	0	0	0	109.3	Q128 L129 L134 L138 Q142 A143 F157 L160 V161 A164	Q128-L136 CarbonylContact C-O 3.34Å; Q128-L136 WeakPolarHBondContact CA-O 3.37Å; Q128-L136 WeakPolarHBondContact CG-O 3.5Å; L129-L136 HydrophobicContact CB-CB 4.3Å; L129-L136 HydrophobicContact CB-CD1 4.48Å; L129-L136 PolarHBondContact N-O 3.47Å; L129-L136 PolarHBondContact O-N 2.92Å; L134-L136 HydrophobicContact CD1-CD2 3.82Å; L134-L136 HydrophobicContact CD1-CG 4.28Å; L134-L136 HydrophobicContact CD2-CD1 4.19Å; L134-L136 HydrophobicContact CD2-CD2 4.26Å; L134-L136 HydrophobicContact CD2-CG 4.14Å; L134-L136 HydrophobicContact CG-CD2 4.15Å; L134-L136 HydrophobicContact CG-CG 4.06Å; L136-L138 HydrophobicContact CB-CD2 4.41Å; L136-Q142 CarbonylContact C-O 3.49Å; L136-Q142 WeakPolarHBondContact CA-O 3.19Å; L136-A143 HydrophobicContact CD2-CB 3.6Å; L136-F157 HydrophobicContact CB-CE2 4.49Å; L136-F157 HydrophobicContact CD2-CD2 4.42Å; L136-F157 HydrophobicContact CD2-CE2 3.97Å; L136-L160 HydrophobicContact CD1-CB 4.11Å; L136-L160 HydrophobicContact CD2-CB 4.21Å; L136-L160 HydrophobicContact CD2-CD1 4.21Å; L136-V161 HydrophobicContact CD1-CB 4.45Å; L136-V161 HydrophobicContact CD1-CG2 3.91Å; L136-A164 HydrophobicContact CD1-CB 3.65Å
137	F	92.5	Very high	90.6	Very high	44 Å²	44	67.3 Å²	67.3	19%	0.193	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	105.6	173.4	-60.7	-90.2	0	0	0	108.9	Q128 R135 E139 K140 R141 Q142 I144	Q128-F137 HydrophobicContact CG-CD1 4.31Å; Q128-F137 HydrophobicContact CG-CE1 4.22Å; Q128-F137 VanDerWaalsContact OE1-CE1 3.22Å; R135-F137 HydrophobicContact CB-CE2 4.23Å; F137-E139 PolarHBondContact O-N 3Å; F137-K140 HydrophobicContact CB-CB 4.28Å; F137-K140 PolarHBondContact O-N 3.31Å; F137-R141 WeakPolarHBondContact O-CA 3.47Å; F137-R141 PolarHBondContact O-N 3.3Å; F137-Q142 HydrophobicContact CB-CB 4.2Å; F137-Q142 HydrophobicContact CD2-CB 4.28Å; F137-Q142 PolarHBondContact N-O 2.91Å; F137-Q142 PolarHBondContact O-N 3.47Å; F137-Q142 VanDerWaalsContact O-N 3.17Å; F137-I144 HydrophobicContact CD2-CD1 4.45Å; F137-I144 HydrophobicContact CE2-CD1 3.7Å; F137-I144 HydrophobicContact CE2-CG1 4.13Å
138	L	89.5	Confident	91.1	Very high	36 Å²	36	71.2 Å²	71.2	19%	0.188	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-40.3	-165.6	-57.4	-174.9	0	0	0	112.8	N127 L129 L136 R141 F157 V161	N127-L138 PolarHBondContact O-N 2.96Å; L129-L138 HydrophobicContact CD1-CD1 4.45Å; L129-L138 HydrophobicContact CD1-CD2 4.03Å; L129-L138 HydrophobicContact CG-CD1 4.33Å; L129-L138 HydrophobicContact CG-CD2 4.26Å; L136-L138 HydrophobicContact CB-CD2 4.41Å; L138-R141 PolarHBondContact O-N 3.32Å; L138-F157 HydrophobicContact CD2-CZ 4.38Å; L138-V161 HydrophobicContact CD2-CB 4.42Å; L138-V161 HydrophobicContact CD2-CG1 3.91Å; L138-V161 HydrophobicContact CD2-CG2 3.56Å
139	E	84.8	Confident	91.2	Very high	124 Å²	124	73.1 Å²	73.1	58%	0.579	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-38.2	-179.1	-64.4	-167.9	155.2	0	0	112.4	K122 N127 F137 R141	K122-E139 IonicContact NZ-OE1 3.88Å; K122-E139 PolarHBondContact NZ-OE1 3.47Å; N127-E139 PolarHBondContact ND2-OE1 3.16Å; N127-E139 VanDerWaalsContact ND2-OE1 3.14Å; N127-E139 PolarHBondContact ND2-OE2 3.28Å; N127-E139 PolarHBondContact OD1-OE1 3.49Å; F137-E139 PolarHBondContact O-N 3Å; E139-R141 VanDerWaalsContact C-N 3.32Å
140	K	87.4	Confident	91.2	Very high	162 Å²	162	73.3 Å²	73.3	70%	0.704	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-11.3	178.9	-63.8	-175.9	-179.7	-179.8	0	113.1	F137 Q142	F137-K140 HydrophobicContact CB-CB 4.28Å; F137-K140 PolarHBondContact O-N 3.31Å; K140-Q142 HydrophobicContact CB-CB 4.1Å; K140-Q142 PolarHBondContact O-N 2.95Å
141	R	89	Confident	91.2	Very high	114 Å²	114	76.8 Å²	76.8	43%	0.43	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	44.1	-169.4	-64.3	-178.7	168.2	-171.5	-7.8	112.6	F137 L138 E139 F157	F137-R141 WeakPolarHBondContact O-CA 3.47Å; F137-R141 PolarHBondContact O-N 3.3Å; L138-R141 PolarHBondContact O-N 3.32Å; E139-R141 VanDerWaalsContact C-N 3.32Å; R141-F157 VanDerWaalsContact C-CE2 3.5Å; R141-F157 HydrophobicContact CB-CD1 4.27Å; R141-F157 HydrophobicContact CB-CE1 4.15Å; R141-F157 HydrophobicContact CB-CZ 4.32Å; R141-F157 HydrophobicContact CG-CD1 4.25Å; R141-F157 HydrophobicContact CG-CE1 4.03Å
142	Q	92.3	Very high	91.3	Very high	41 Å²	41	74.1 Å²	74.1	19%	0.192	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.8	-176.5	-171.5	-177.8	20.7	0	0	109.4	L136 F137 K140 I144 E149	L136-Q142 CarbonylContact C-O 3.49Å; L136-Q142 WeakPolarHBondContact CA-O 3.19Å; F137-Q142 HydrophobicContact CB-CB 4.2Å; F137-Q142 HydrophobicContact CD2-CB 4.28Å; F137-Q142 PolarHBondContact N-O 2.91Å; F137-Q142 PolarHBondContact O-N 3.47Å; F137-Q142 VanDerWaalsContact O-N 3.17Å; K140-Q142 HydrophobicContact CB-CB 4.1Å; K140-Q142 PolarHBondContact O-N 2.95Å; Q142-I144 HydrophobicContact CG-CG1 4.38Å; Q142-E149 HydrophobicContact CG-CG 4.04Å; Q142-E149 VanDerWaalsContact NE2-CD 3.25Å; Q142-E149 PolarHBondContact NE2-OE2 3.04Å
143	A	94.2	Very high	91.3	Very high	2 Å²	2	70.5 Å²	70.5	2%	0.017	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.5	174.5	0	0	0	0	0	109.6	R135 L136 E149 I150 L152 F157	R135-A143 WeakPolarHBondContact O-CA 3.48Å; L136-A143 HydrophobicContact CD2-CB 3.6Å; A143-E149 WeakPolarHBondContact O-CA 3.49Å; A143-I150 HydrophobicContact CB-CD1 4.01Å; A143-I150 HydrophobicContact CB-CG1 3.59Å; A143-I150 PolarHBondContact O-N 3.42Å; A143-L152 HydrophobicContact CB-CD1 3.59Å; A143-L152 HydrophobicContact CB-CG 4.47Å; A143-F157 HydrophobicContact CB-CD2 4.36Å; A143-F157 HydrophobicContact CB-CE2 4.44Å
144	I	94.2	Very high	91.1	Very high	22 Å²	22	68.7 Å²	68.7	11%	0.113	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.2	178.2	-58.9	-173.5	0	0	0	108.4	L134 R135 F137 Q142 Q148	L134-I144 CarbonylContact C-O 3.49Å; L134-I144 WeakPolarHBondContact CA-O 3.33Å; R135-I144 HydrophobicContact CB-CB 4.4Å; R135-I144 PolarHBondContact N-O 2.7Å; R135-I144 PolarHBondContact O-N 3.24Å; F137-I144 HydrophobicContact CD2-CD1 4.45Å; F137-I144 HydrophobicContact CE2-CD1 3.7Å; F137-I144 HydrophobicContact CE2-CG1 4.13Å; Q142-I144 HydrophobicContact CG-CG1 4.38Å; I144-Q148 CarbonylContact C-O 3.42Å; I144-Q148 VanDerWaalsContact CA-O 3.28Å; I144-Q148 WeakPolarHBondContact CA-O 3.41Å; I144-Q148 WeakPolarHBondContact CG2-O 3.48Å
145	V	93.4	Very high	90.9	Very high	12 Å²	12	67.9 Å²	67.9	7%	0.073	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131	172.7	178.1	0	0	0	0	107.7	L134 Q147 Q148 I150	L134-V145 HydrophobicContact CB-CG2 4.44Å; L134-V145 HydrophobicContact CD1-CG2 3.53Å; V145-Q147 PolarHBondContact O-N 3.16Å; V145-Q147 VanDerWaalsContact O-N 3.08Å; V145-Q148 PolarHBondContact N-O 2.91Å; V145-Q148 PolarHBondContact O-N 3.35Å; V145-Q148 VanDerWaalsContact O-O 3.08Å; V145-I150 HydrophobicContact CB-CG2 4.48Å; V145-I150 HydrophobicContact CG2-CD1 3.73Å; V145-I150 HydrophobicContact CG2-CG1 4.44Å
146	N	90.9	Very high	90.7	Very high	115 Å²	115	64.1 Å²	64.1	62%	0.615	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	38.6	179.3	-60.4	-31	0	0	0	113.7	S133 Q148	S133-N146 WeakPolarHBondContact CB-OD1 3.25Å; S133-N146 PolarHBondContact OG-OD1 2.97Å; S133-N146 VanDerWaalsContact OG-OD1 3.06Å; N146-Q148 PolarHBondContact O-N 2.76Å
147	Q	89.9	Confident	90.6	Very high	171 Å²	171	64.7 Å²	64.7	80%	0.799	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	4.7	-176.9	-46.3	-179.7	33.3	0	0	115.9	V145	V145-Q147 PolarHBondContact O-N 3.16Å; V145-Q147 VanDerWaalsContact O-N 3.08Å
148	Q	93.3	Very high	90.5	Very high	147 Å²	147	62.8 Å²	62.8	69%	0.687	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.5	171.9	-67.9	-174.7	-33.1	0	0	110.2	I144 V145 N146	I144-Q148 CarbonylContact C-O 3.42Å; I144-Q148 VanDerWaalsContact CA-O 3.28Å; I144-Q148 WeakPolarHBondContact CA-O 3.41Å; I144-Q148 WeakPolarHBondContact CG2-O 3.48Å; V145-Q148 PolarHBondContact N-O 2.91Å; V145-Q148 PolarHBondContact O-N 3.35Å; V145-Q148 VanDerWaalsContact O-O 3.08Å; N146-Q148 PolarHBondContact O-N 2.76Å
149	E	92.9	Very high	90.6	Very high	122 Å²	122	61.1 Å²	61.1	57%	0.57	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.4	172.6	-178.6	171.7	174.4	0	0	109.9	Q142 A143	Q142-E149 HydrophobicContact CG-CG 4.04Å; Q142-E149 VanDerWaalsContact NE2-CD 3.25Å; Q142-E149 PolarHBondContact NE2-OE2 3.04Å; A143-E149 WeakPolarHBondContact O-CA 3.49Å
150	I	92	Very high	91	Very high	30 Å²	30	55.9 Å²	55.9	15%	0.154	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.8	172.3	60	173.3	0	0	0	108.6	A143 V145 L152 L160	A143-I150 HydrophobicContact CB-CD1 4.01Å; A143-I150 HydrophobicContact CB-CG1 3.59Å; A143-I150 PolarHBondContact O-N 3.42Å; V145-I150 HydrophobicContact CB-CG2 4.48Å; V145-I150 HydrophobicContact CG2-CD1 3.73Å; V145-I150 HydrophobicContact CG2-CG1 4.44Å; I150-L152 HydrophobicContact CD1-CD1 4.03Å; I150-L152 HydrophobicContact CD1-CD2 4.14Å; I150-L152 HydrophobicContact CD1-CG 4.23Å; I150-L152 HydrophobicContact CG1-CD1 4.23Å; I150-L152 HydrophobicContact CG1-CD2 4.44Å; I150-L152 HydrophobicContact CG1-CG 4.17Å; I150-L160 HydrophobicContact CD1-CD1 4.42Å
151	K	89.1	Confident	91.1	Very high	148 Å²	148	48.1 Å²	48.1	64%	0.643	23%	0.225	S	C	*	.			trans	-79.7	127	173.5	-70.2	-175.2	-178.1	179.3	0	108.3
152	L	90.7	Very high	91.2	Very high	20 Å²	20	43.2 Å²	43.2	11%	0.105	21%	0.207	C	C	.	.			trans	-127.5	145.2	179.5	-62.9	175.3	0	0	0	109.7	T71 A143 I150 E156 F157 L160 L199	T71-L152 WeakPolarHBondContact CG2-O 3.43Å; A143-L152 HydrophobicContact CB-CD1 3.59Å; A143-L152 HydrophobicContact CB-CG 4.47Å; I150-L152 HydrophobicContact CD1-CD1 4.03Å; I150-L152 HydrophobicContact CD1-CD2 4.14Å; I150-L152 HydrophobicContact CD1-CG 4.23Å; I150-L152 HydrophobicContact CG1-CD1 4.23Å; I150-L152 HydrophobicContact CG1-CD2 4.44Å; I150-L152 HydrophobicContact CG1-CG 4.17Å; L152-E156 WeakPolarHBondContact CA-OE2 3.47Å; L152-E156 HydrophobicContact CB-CB 3.99Å; L152-E156 HydrophobicContact CD2-CB 4.14Å; L152-F157 HydrophobicContact CB-CB 4.3Å; L152-F157 HydrophobicContact CD1-CB 4.49Å; L152-F157 HydrophobicContact CD1-CD2 4.41Å; L152-L160 HydrophobicContact CD1-CD1 3.37Å; L152-L160 HydrophobicContact CD1-CG 4.42Å; L152-L199 HydrophobicContact CD1-CD2 4.4Å; L152-L199 HydrophobicContact CD2-CD2 3.85Å
153	T	88.8	Confident	91.2	Very high	6 Å²	6	43.3 Å²	43.3	4%	0.037	21%	0.207	C	C	.	.			trans	-62.8	166.9	164.1	68.5	0	0	0	0	109.9	K155 E156 F157	T153-K155 VanDerWaalsContact C-N 3.25Å; T153-K155 PolarHBondContact O-N 2.81Å; T153-E156 WeakPolarHBondContact CG2-OE1 3.37Å; T153-E156 PolarHBondContact N-OE2 2.78Å; T153-E156 PolarHBondContact O-N 3.45Å; T153-E156 VanDerWaalsContact OG1-CG 3.29Å; T153-E156 WeakPolarHBondContact OG1-CG 3.15Å; T153-E156 PolarHBondContact OG1-N 3.02Å; T153-E156 PolarHBondContact OG1-OE1 3.46Å; T153-E156 PolarHBondContact OG1-OE2 3.28Å; T153-F157 WeakPolarHBondContact O-CB 3.24Å; T153-F157 PolarHBondContact O-N 3.07Å
154	K	87.7	Confident	91	Very high	20 Å²	20	43.8 Å²	43.8	9%	0.087	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-41.4	179.2	179.6	176.8	171.8	-178.7	0	111	I114 L115 R116 F157 E158	I114-K154 WeakPolarHBondContact O-CD 3.48Å; I114-K154 WeakPolarHBondContact O-CE 3.39Å; I114-K154 PolarHBondContact O-NZ 2.8Å; L115-K154 PolarHBondContact O-NZ 3.16Å; R116-K154 PolarHBondContact O-NZ 3.06Å; K154-F157 PolarHBondContact O-N 2.99Å; K154-E158 WeakPolarHBondContact CE-OE1 3.4Å; K154-E158 HydrophobicContact CG-CG 4.47Å; K154-E158 IonicContact NZ-OE1 2.69Å; K154-E158 WeakPolarHBondContact O-CB 3.29Å; K154-E158 VanDerWaalsContact O-CG 3.25Å; K154-E158 WeakPolarHBondContact O-CG 3.36Å; K154-E158 PolarHBondContact O-N 3.24Å
155	K	88.4	Confident	90.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-71.4	-41.4	-176.4	-67.8	-67.6	166.5	-152.1	0	112.5	D95 T153 F157 E158 L159 V180 W181	D95-K155 HydrophobicContact CB-CG 4.24Å; T153-K155 VanDerWaalsContact C-N 3.25Å; T153-K155 PolarHBondContact O-N 2.81Å; K155-F157 PolarHBondContact O-N 3.26Å; K155-E158 IonicContact NZ-OE2 3.29Å; K155-E158 PolarHBondContact NZ-OE2 3.17Å; K155-E158 PolarHBondContact O-N 3.01Å; K155-L159 WeakPolarHBondContact O-CB 3.13Å; K155-L159 WeakPolarHBondContact O-CG 3.04Å; K155-L159 PolarHBondContact O-N 3.22Å; K155-V180 HydrophobicContact CD-CG1 3.56Å; K155-V180 PolarHBondContact NZ-O 3.38Å; K155-W181 HydrophobicContact CB-CH2 4.09Å; K155-W181 HydrophobicContact CB-CZ2 3.92Å; K155-W181 HydrophobicContact CD-CD2 4.05Å; K155-W181 HydrophobicContact CD-CE3 4.49Å; K155-W181 HydrophobicContact CD-CH2 4.2Å; K155-W181 HydrophobicContact CD-CZ2 3.74Å; K155-W181 HydrophobicContact CG-CH2 4.37Å; K155-W181 HydrophobicContact CG-CZ2 3.78Å
156	E	90.7	Very high	90.5	Very high	10 Å²	10	50 Å²	50	5%	0.047	23%	0.234	C	C	.	.	H	α-helix	trans	-58.3	-46.7	171.3	-75.3	153.9	-146.1	0	0	112.2	L152 T153 E158 L159 L160 H195 I198 L199	L152-E156 WeakPolarHBondContact CA-OE2 3.47Å; L152-E156 HydrophobicContact CB-CB 3.99Å; L152-E156 HydrophobicContact CD2-CB 4.14Å; T153-E156 WeakPolarHBondContact CG2-OE1 3.37Å; T153-E156 PolarHBondContact N-OE2 2.78Å; T153-E156 PolarHBondContact O-N 3.45Å; T153-E156 VanDerWaalsContact OG1-CG 3.29Å; T153-E156 WeakPolarHBondContact OG1-CG 3.15Å; T153-E156 PolarHBondContact OG1-N 3.02Å; T153-E156 PolarHBondContact OG1-OE1 3.46Å; T153-E156 PolarHBondContact OG1-OE2 3.28Å; E156-E158 PolarHBondContact O-N 3.46Å; E156-L159 PolarHBondContact O-N 2.7Å; E156-L160 PolarHBondContact O-N 3.06Å; E156-H195 IonicContact OE1-ND1 3.55Å; E156-I198 HydrophobicContact CG-CG2 4.35Å; E156-L199 HydrophobicContact CB-CD2 3.79Å; E156-L199 HydrophobicContact CB-CG 4.3Å; E156-L199 HydrophobicContact CG-CD2 4.16Å; E156-L199 HydrophobicContact CG-CG 4.32Å
157	F	91.6	Very high	90.3	Very high	13 Å²	13	48 Å²	48	6%	0.057	23%	0.227	C	C	.	.	H	α-helix	trans	-62	-44.2	177.4	-176.7	-93.7	0	0	0	111.6	L136 L138 R141 A143 L152 T153 K154 K155 L159 L160 V161	L136-F157 HydrophobicContact CB-CE2 4.49Å; L136-F157 HydrophobicContact CD2-CD2 4.42Å; L136-F157 HydrophobicContact CD2-CE2 3.97Å; L138-F157 HydrophobicContact CD2-CZ 4.38Å; R141-F157 VanDerWaalsContact C-CE2 3.5Å; R141-F157 HydrophobicContact CB-CD1 4.27Å; R141-F157 HydrophobicContact CB-CE1 4.15Å; R141-F157 HydrophobicContact CB-CZ 4.32Å; R141-F157 HydrophobicContact CG-CD1 4.25Å; R141-F157 HydrophobicContact CG-CE1 4.03Å; A143-F157 HydrophobicContact CB-CD2 4.36Å; A143-F157 HydrophobicContact CB-CE2 4.44Å; L152-F157 HydrophobicContact CB-CB 4.3Å; L152-F157 HydrophobicContact CD1-CB 4.49Å; L152-F157 HydrophobicContact CD1-CD2 4.41Å; T153-F157 WeakPolarHBondContact O-CB 3.24Å; T153-F157 PolarHBondContact O-N 3.07Å; K154-F157 PolarHBondContact O-N 2.99Å; K155-F157 PolarHBondContact O-N 3.26Å; F157-L159 VanDerWaalsContact C-N 3.34Å; F157-L159 PolarHBondContact O-N 3.06Å; F157-L160 PolarHBondContact O-N 3.5Å; F157-V161 HydrophobicContact CD1-CG2 3.96Å; F157-V161 HydrophobicContact CE1-CG2 3.49Å; F157-V161 VanDerWaalsContact CE1-CG2 3.49Å; F157-V161 HydrophobicContact CE2-CG2 4.44Å; F157-V161 HydrophobicContact CZ-CG2 3.75Å; F157-V161 WeakPolarHBondContact O-CG2 3.28Å; F157-V161 PolarHBondContact O-N 3.02Å
158	E	90.5	Very high	90.1	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.019	23%	0.23	C	C	.	.	H	α-helix	trans	-61.5	-40.7	177.6	-76.7	175.2	167	0	0	112.1	I118 F120 K154 K155 E156 V161 L162 V180	I118-E158 HydrophobicContact CD1-CB 3.72Å; I118-E158 HydrophobicContact CD1-CG 3.58Å; I118-E158 WeakPolarHBondContact CD1-OE2 3.47Å; I118-E158 HydrophobicContact CG1-CG 4.23Å; F120-E158 HydrophobicContact CZ-CB 4.42Å; F120-E158 WeakPolarHBondContact CZ-O 3.46Å; K154-E158 WeakPolarHBondContact CE-OE1 3.4Å; K154-E158 HydrophobicContact CG-CG 4.47Å; K154-E158 IonicContact NZ-OE1 2.69Å; K154-E158 WeakPolarHBondContact O-CB 3.29Å; K154-E158 VanDerWaalsContact O-CG 3.25Å; K154-E158 WeakPolarHBondContact O-CG 3.36Å; K154-E158 PolarHBondContact O-N 3.24Å; K155-E158 IonicContact NZ-OE2 3.29Å; K155-E158 PolarHBondContact NZ-OE2 3.17Å; K155-E158 PolarHBondContact O-N 3.01Å; E156-E158 PolarHBondContact O-N 3.46Å; E158-V161 PolarHBondContact O-N 3.46Å; E158-L162 PolarHBondContact O-N 3.42Å; E158-V180 HydrophobicContact CB-CG1 3.98Å
159	L	91.3	Very high	90	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-47.8	173.1	-80.8	165.2	0	0	0	111.9	K155 E156 F157 V161 L162 F163 L176 V180 W181 H195 L199	K155-L159 WeakPolarHBondContact O-CB 3.13Å; K155-L159 WeakPolarHBondContact O-CG 3.04Å; K155-L159 PolarHBondContact O-N 3.22Å; E156-L159 PolarHBondContact O-N 2.7Å; F157-L159 VanDerWaalsContact C-N 3.34Å; F157-L159 PolarHBondContact O-N 3.06Å; L159-V161 VanDerWaalsContact C-N 3.31Å; L159-V161 PolarHBondContact O-N 3.16Å; L159-L162 WeakPolarHBondContact O-CB 3.4Å; L159-L162 PolarHBondContact O-N 3.37Å; L159-L162 VanDerWaalsContact O-N 3.13Å; L159-F163 HydrophobicContact CB-CE2 4.15Å; L159-F163 HydrophobicContact CD2-CE2 4.33Å; L159-F163 HydrophobicContact CD2-CZ 4.27Å; L159-F163 WeakPolarHBondContact O-CD2 3.49Å; L159-F163 WeakPolarHBondContact O-CG 3.17Å; L159-F163 PolarHBondContact O-N 3.04Å; L159-L176 HydrophobicContact CD2-CB 4.35Å; L159-L176 HydrophobicContact CD2-CD2 4.14Å; L159-V180 HydrophobicContact CD2-CG2 3.88Å; L159-V180 HydrophobicContact CG-CG1 4.45Å; L159-V180 HydrophobicContact CG-CG2 4.09Å; L159-W181 HydrophobicContact CD1-CH2 4.29Å; L159-W181 HydrophobicContact CD1-CZ3 4.43Å; L159-H195 HydrophobicContact CD1-CB 3.54Å; L159-L199 HydrophobicContact CB-CD1 3.73Å; L159-L199 HydrophobicContact CD1-CD1 4.45Å
160	L	91.7	Very high	89.9	Confident	14 Å²	14	46.7 Å²	46.7	7%	0.073	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-40.6	177.2	-82.1	-175.3	0	0	0	112.6	L134 L136 I150 L152 E156 F157 L162 F163 A164 L199	L134-L160 HydrophobicContact CD1-CD1 4.31Å; L134-L160 HydrophobicContact CD2-CD1 4.43Å; L134-L160 HydrophobicContact CD2-CD2 4.12Å; L136-L160 HydrophobicContact CD1-CB 4.11Å; L136-L160 HydrophobicContact CD2-CB 4.21Å; L136-L160 HydrophobicContact CD2-CD1 4.21Å; I150-L160 HydrophobicContact CD1-CD1 4.42Å; L152-L160 HydrophobicContact CD1-CD1 3.37Å; L152-L160 HydrophobicContact CD1-CG 4.42Å; E156-L160 PolarHBondContact O-N 3.06Å; F157-L160 PolarHBondContact O-N 3.5Å; L160-L162 VanDerWaalsContact C-N 3.31Å; L160-L162 PolarHBondContact O-N 3.4Å; L160-F163 PolarHBondContact O-N 3.26Å; L160-A164 VanDerWaalsContact O-CB 3.25Å; L160-A164 WeakPolarHBondContact O-CB 3.29Å; L160-A164 PolarHBondContact O-N 3.16Å; L160-L199 HydrophobicContact CD1-CD2 3.8Å; L160-L199 HydrophobicContact CD2-CD1 4.07Å; L160-L199 HydrophobicContact CD2-CD2 4.09Å; L160-L199 HydrophobicContact CG-CD1 3.91Å; L160-L199 HydrophobicContact CG-CD2 3.58Å; L160-L199 HydrophobicContact CG-CG 4.33Å
161	V	91.4	Very high	89.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-42.9	175.9	172.3	0	0	0	0	110.5	F120 L129 L136 L138 F157 E158 L159 A164 K165	F120-V161 HydrophobicContact CD1-CG1 3.89Å; F120-V161 HydrophobicContact CD2-CB 4.35Å; F120-V161 HydrophobicContact CD2-CG1 3.44Å; F120-V161 VanDerWaalsContact CD2-CG1 3.44Å; F120-V161 HydrophobicContact CE1-CB 4.29Å; F120-V161 HydrophobicContact CE1-CG1 3.8Å; F120-V161 HydrophobicContact CE2-CB 3.76Å; F120-V161 HydrophobicContact CE2-CG1 3.34Å; F120-V161 HydrophobicContact CE2-CG2 4.41Å; F120-V161 HydrophobicContact CG-CG1 3.71Å; F120-V161 HydrophobicContact CZ-CB 3.72Å; F120-V161 HydrophobicContact CZ-CG1 3.53Å; L129-V161 HydrophobicContact CD1-CG1 3.85Å; L136-V161 HydrophobicContact CD1-CB 4.45Å; L136-V161 HydrophobicContact CD1-CG2 3.91Å; L138-V161 HydrophobicContact CD2-CB 4.42Å; L138-V161 HydrophobicContact CD2-CG1 3.91Å; L138-V161 HydrophobicContact CD2-CG2 3.56Å; F157-V161 HydrophobicContact CD1-CG2 3.96Å; F157-V161 HydrophobicContact CE1-CG2 3.49Å; F157-V161 VanDerWaalsContact CE1-CG2 3.49Å; F157-V161 HydrophobicContact CE2-CG2 4.44Å; F157-V161 HydrophobicContact CZ-CG2 3.75Å; F157-V161 WeakPolarHBondContact O-CG2 3.28Å; F157-V161 PolarHBondContact O-N 3.02Å; E158-V161 PolarHBondContact O-N 3.46Å; L159-V161 VanDerWaalsContact C-N 3.31Å; L159-V161 PolarHBondContact O-N 3.16Å; V161-A164 PolarHBondContact O-N 2.98Å; V161-K165 HydrophobicContact CG1-CG 4.46Å; V161-K165 WeakPolarHBondContact O-CB 3.36Å; V161-K165 WeakPolarHBondContact O-CG 3.28Å; V161-K165 PolarHBondContact O-N 3.26Å
162	L	90.3	Very high	89.8	Confident	11 Å²	11	43.4 Å²	43.4	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-46.2	177.8	-173	65.3	0	0	0	111.5	F120 E158 L159 L160 K165 Y166 F171 L176 A179 V180	F120-L162 HydrophobicContact CE1-CB 4.22Å; F120-L162 HydrophobicContact CE1-CD1 4.34Å; E158-L162 PolarHBondContact O-N 3.42Å; L159-L162 WeakPolarHBondContact O-CB 3.4Å; L159-L162 PolarHBondContact O-N 3.37Å; L159-L162 VanDerWaalsContact O-N 3.13Å; L160-L162 VanDerWaalsContact C-N 3.31Å; L160-L162 PolarHBondContact O-N 3.4Å; L162-K165 PolarHBondContact O-N 3.44Å; L162-Y166 HydrophobicContact CD1-CD2 3.99Å; L162-Y166 HydrophobicContact CD1-CE2 3.94Å; L162-Y166 WeakPolarHBondContact O-CD2 3.36Å; L162-Y166 PolarHBondContact O-N 3.46Å; L162-F171 HydrophobicContact CD1-CE1 4.2Å; L162-F171 HydrophobicContact CD1-CZ 4.26Å; L162-F171 HydrophobicContact CD2-CD1 4.42Å; L162-F171 HydrophobicContact CD2-CE1 4.05Å; L162-F171 HydrophobicContact CD2-CZ 4.4Å; L162-F171 HydrophobicContact CG-CE1 4.01Å; L162-F171 HydrophobicContact CG-CZ 3.93Å; L162-L176 HydrophobicContact CD2-CD2 3.56Å; L162-A179 HydrophobicContact CD1-CB 4.38Å; L162-A179 HydrophobicContact CD2-CB 3.69Å; L162-V180 HydrophobicContact CD2-CG2 4.22Å
163	F	91.2	Very high	89.6	Confident	43 Å²	43	48.7 Å²	48.7	19%	0.189	24%	0.243	C	C	.	.	H	α-helix	trans	-64.6	-43.5	176.6	-62.9	-46.2	0	0	0	112.3	L159 L160 K165 Y166 P167 F171 L176 Y196 L199	L159-F163 HydrophobicContact CB-CE2 4.15Å; L159-F163 HydrophobicContact CD2-CE2 4.33Å; L159-F163 HydrophobicContact CD2-CZ 4.27Å; L159-F163 WeakPolarHBondContact O-CD2 3.49Å; L159-F163 WeakPolarHBondContact O-CG 3.17Å; L159-F163 PolarHBondContact O-N 3.04Å; L160-F163 PolarHBondContact O-N 3.26Å; F163-K165 VanDerWaalsContact C-N 3.3Å; F163-K165 PolarHBondContact O-N 3.12Å; F163-Y166 CarbonylContact O-C 3.59Å; F163-Y166 PolarHBondContact O-N 3Å; F163-Y166 VanDerWaalsContact O-N 3.11Å; F163-P167 WeakPolarHBondContact O-CA 3.39Å; F163-F171 HydrophobicContact CD1-CD2 4.09Å; F163-F171 HydrophobicContact CD1-CE2 4.1Å; F163-F171 HydrophobicContact CE1-CD2 4.03Å; F163-F171 HydrophobicContact CE1-CE2 4.47Å; F163-L176 HydrophobicContact CE1-CD1 4.27Å; F163-L176 HydrophobicContact CE1-CD2 3.76Å; F163-L176 HydrophobicContact CZ-CD1 4.06Å; F163-L176 HydrophobicContact CZ-CD2 4.04Å; F163-Y196 AromaticContact CE2-CD2 3.8Å; F163-Y196 HydrophobicContact CE2-CD2 3.8Å; F163-Y196 HydrophobicContact CE2-CE2 4.07Å; F163-Y196 AromaticContact CZ-CD2 3.84Å; F163-Y196 HydrophobicContact CZ-CD2 3.84Å; F163-Y196 HydrophobicContact CZ-CE2 4.06Å; F163-L199 HydrophobicContact CE2-CD1 4.44Å
164	A	90.5	Very high	89.5	Confident	12 Å²	12	52.9 Å²	52.9	10%	0.099	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-30.8	178.6	0	0	0	0	0	113	L129 L131 L136 L160 V161 Y166	L129-A164 HydrophobicContact CB-CB 4.14Å; L129-A164 HydrophobicContact CD1-CB 4.11Å; L131-A164 HydrophobicContact CB-CB 4.48Å; L136-A164 HydrophobicContact CD1-CB 3.65Å; L160-A164 VanDerWaalsContact O-CB 3.25Å; L160-A164 WeakPolarHBondContact O-CB 3.29Å; L160-A164 PolarHBondContact O-N 3.16Å; V161-A164 PolarHBondContact O-N 2.98Å; A164-Y166 VanDerWaalsContact C-N 3.33Å
165	K	88.3	Confident	89.5	Confident	56 Å²	56	55.5 Å²	55.5	24%	0.243	28%	0.28	C	S	.	.	H	α-helix	trans	-70.3	-29.3	172.8	-80.6	-162.2	166.8	-150.4	0	113	F120 E121 L129 V161 L162 F163	F120-K165 HydrophobicContact CB-CD 3.92Å; F120-K165 HydrophobicContact CD1-CD 4.14Å; F120-K165 HydrophobicContact CG-CD 4.31Å; E121-K165 PolarHBondContact O-NZ 2.72Å; L129-K165 HydrophobicContact CD1-CG 3.56Å; L129-K165 HydrophobicContact CD2-CG 4.31Å; V161-K165 HydrophobicContact CG1-CG 4.46Å; V161-K165 WeakPolarHBondContact O-CB 3.36Å; V161-K165 WeakPolarHBondContact O-CG 3.28Å; V161-K165 PolarHBondContact O-N 3.26Å; L162-K165 PolarHBondContact O-N 3.44Å; F163-K165 VanDerWaalsContact C-N 3.3Å; F163-K165 PolarHBondContact O-N 3.12Å
166	Y	89.7	Confident	89.5	Confident	108 Å²	108	56.2 Å²	56.2	42%	0.424	28%	0.283	S	S	.	.	S	Bend	trans	-133.7	63.3	-174.6	-53.7	-74	0	0	0	111.8	L162 F163 A164 N168 K169 F171	L162-Y166 HydrophobicContact CD1-CD2 3.99Å; L162-Y166 HydrophobicContact CD1-CE2 3.94Å; L162-Y166 WeakPolarHBondContact O-CD2 3.36Å; L162-Y166 PolarHBondContact O-N 3.46Å; F163-Y166 CarbonylContact O-C 3.59Å; F163-Y166 PolarHBondContact O-N 3Å; F163-Y166 VanDerWaalsContact O-N 3.11Å; A164-Y166 VanDerWaalsContact C-N 3.33Å; Y166-N168 PolarHBondContact O-N 3.15Å; Y166-K169 HydrophobicContact CG-CD 4.44Å; Y166-K169 PolarHBondContact O-N 2.94Å; Y166-F171 AromaticContact CD2-CZ 3.88Å; Y166-F171 HydrophobicContact CD2-CZ 3.88Å; Y166-F171 HydrophobicContact CG-CZ 4.18Å
167	P	85.3	Confident	89.4	Confident	72 Å²	72	56.4 Å²	56.4	47%	0.468	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.5	-164.5	24	-35.1	0	0	0	115.9	L131 F163	L131-P167 HydrophobicContact CD1-CB 3.64Å; L131-P167 HydrophobicContact CD1-CG 4.44Å; L131-P167 HydrophobicContact CD2-CB 4.31Å; F163-P167 WeakPolarHBondContact O-CA 3.39Å
168	N	86.6	Confident	89.1	Confident	162 Å²	162	57.8 Å²	57.8	87%	0.866	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	9.1	179	-61.6	-43.4	0	0	0	112.8	Y166	Y166-N168 PolarHBondContact O-N 3.15Å
169	K	90.6	Very high	88.9	Confident	116 Å²	116	59.7 Å²	59.7	50%	0.504	31%	0.309	S	S	.	.			trans	-89	125.9	179.9	-176.7	171.4	176.6	-178.8	0	109.6	Y166 F171	Y166-K169 HydrophobicContact CG-CD 4.44Å; Y166-K169 PolarHBondContact O-N 2.94Å; K169-F171 HydrophobicContact CB-CD2 4.44Å; K169-F171 HydrophobicContact CB-CE2 3.86Å; K169-F171 HydrophobicContact CB-CZ 4.14Å; K169-F171 HydrophobicContact CD-CD1 4.46Å; K169-F171 HydrophobicContact CD-CE1 3.85Å; K169-F171 HydrophobicContact CD-CE2 4.24Å; K169-F171 HydrophobicContact CD-CZ 3.73Å; K169-F171 HydrophobicContact CG-CD2 4.33Å; K169-F171 HydrophobicContact CG-CE1 4.34Å; K169-F171 HydrophobicContact CG-CE2 4.01Å; K169-F171 HydrophobicContact CG-CZ 4.02Å; K169-F171 VanDerWaalsContact O-CD2 3.24Å; K169-F171 WeakPolarHBondContact O-CD2 3.47Å; K169-F171 WeakPolarHBondContact O-CE2 3.25Å
170	V	90.6	Very high	88.7	Confident	136 Å²	136	59.7 Å²	59.7	82%	0.824	31%	0.309	S	S	*	.			trans	-77.6	127.2	166.6	-178.8	0	0	0	0	108
171	F	89.6	Confident	88.4	Confident	34 Å²	34	59.1 Å²	59.1	15%	0.149	31%	0.306	C	S	.	.			trans	-106.7	140.7	175.4	-66.1	-93.4	0	0	0	110.1	L162 F163 Y166 K169 N175 L176	L162-F171 HydrophobicContact CD1-CE1 4.2Å; L162-F171 HydrophobicContact CD1-CZ 4.26Å; L162-F171 HydrophobicContact CD2-CD1 4.42Å; L162-F171 HydrophobicContact CD2-CE1 4.05Å; L162-F171 HydrophobicContact CD2-CZ 4.4Å; L162-F171 HydrophobicContact CG-CE1 4.01Å; L162-F171 HydrophobicContact CG-CZ 3.93Å; F163-F171 HydrophobicContact CD1-CD2 4.09Å; F163-F171 HydrophobicContact CD1-CE2 4.1Å; F163-F171 HydrophobicContact CE1-CD2 4.03Å; F163-F171 HydrophobicContact CE1-CE2 4.47Å; Y166-F171 AromaticContact CD2-CZ 3.88Å; Y166-F171 HydrophobicContact CD2-CZ 3.88Å; Y166-F171 HydrophobicContact CG-CZ 4.18Å; K169-F171 HydrophobicContact CB-CD2 4.44Å; K169-F171 HydrophobicContact CB-CE2 3.86Å; K169-F171 HydrophobicContact CB-CZ 4.14Å; K169-F171 HydrophobicContact CD-CD1 4.46Å; K169-F171 HydrophobicContact CD-CE1 3.85Å; K169-F171 HydrophobicContact CD-CE2 4.24Å; K169-F171 HydrophobicContact CD-CZ 3.73Å; K169-F171 HydrophobicContact CG-CD2 4.33Å; K169-F171 HydrophobicContact CG-CE1 4.34Å; K169-F171 HydrophobicContact CG-CE2 4.01Å; K169-F171 HydrophobicContact CG-CZ 4.02Å; K169-F171 VanDerWaalsContact O-CD2 3.24Å; K169-F171 WeakPolarHBondContact O-CD2 3.47Å; K169-F171 WeakPolarHBondContact O-CE2 3.25Å; F171-N175 HydrophobicContact CD1-CB 4.46Å; F171-L176 HydrophobicContact CB-CD1 4.14Å; F171-L176 HydrophobicContact CB-CD2 3.6Å; F171-L176 HydrophobicContact CB-CG 3.67Å; F171-L176 HydrophobicContact CD1-CD2 3.9Å; F171-L176 HydrophobicContact CD2-CD2 4.24Å; F171-L176 HydrophobicContact CG-CD2 3.67Å; F171-L176 HydrophobicContact CG-CG 4.3Å
172	T	90	Very high	87.9	Confident	74 Å²	74	59.3 Å²	59.3	45%	0.454	31%	0.308	S	S	.	.			trans	-79.5	161.1	163.4	69.2	0	0	0	0	109.7	D174 N175 L176	T172-D174 VanDerWaalsContact C-N 3.3Å; T172-D174 PolarHBondContact O-N 3.38Å; T172-N175 PolarHBondContact O-N 2.92Å; T172-N175 WeakPolarHBondContact OG1-CB 3.41Å; T172-N175 PolarHBondContact OG1-N 3.46Å; T172-N175 VanDerWaalsContact OG1-N 3.16Å; T172-N175 PolarHBondContact OG1-OD1 3.38Å; T172-L176 PolarHBondContact O-N 3.49Å; T172-L176 VanDerWaalsContact O-N 3.09Å
173	R	87.6	Confident	87	Confident	132 Å²	132	67.7 Å²	67.7	50%	0.498	34%	0.34	S	S	.	.	H	α-helix	trans	-54.6	-47.5	174	-72.1	-177.3	178.7	93.8	-1.4	111.9	N175 L176 L177 D193	R173-N175 VanDerWaalsContact C-N 3.29Å; R173-N175 PolarHBondContact O-N 3.3Å; R173-L176 WeakPolarHBondContact O-CB 3.15Å; R173-L176 PolarHBondContact O-N 3.4Å; R173-L176 VanDerWaalsContact O-N 3.11Å; R173-L177 WeakPolarHBondContact O-CB 3.44Å; R173-L177 PolarHBondContact O-N 3.3Å; R173-D193 IonicContact CZ-OD1 3.25Å; R173-D193 IonicContact CZ-OD2 3.37Å; R173-D193 VanDerWaalsContact CZ-OD2 3.29Å; R173-D193 IonicContact NE-OD1 2.93Å; R173-D193 PolarHBondContact NE-OD1 3.11Å; R173-D193 IonicContact NE-OD2 3.07Å; R173-D193 PolarHBondContact NE-OD2 3.17Å; R173-D193 IonicContact NH2-OD1 3.35Å; R173-D193 IonicContact NH2-OD2 2.72Å; R173-D193 PolarHBondContact NH2-OD2 3.04Å
174	D	85.6	Confident	86	Confident	93 Å²	93	71.9 Å²	71.9	50%	0.497	37%	0.365	S	S	.	.	H	α-helix	trans	-62.7	-38.3	-179.1	-56	-30.7	0	0	0	111.3	T172 L176 L177 D178	T172-D174 VanDerWaalsContact C-N 3.3Å; T172-D174 PolarHBondContact O-N 3.38Å; D174-L176 VanDerWaalsContact C-N 3.34Å; D174-L176 PolarHBondContact O-N 3.2Å; D174-L177 WeakPolarHBondContact O-CB 3.42Å; D174-L177 PolarHBondContact O-N 2.76Å; D174-D178 WeakPolarHBondContact O-CB 3.44Å; D174-D178 VanDerWaalsContact O-CG 3.23Å; D174-D178 PolarHBondContact O-N 3.39Å
175	N	87.4	Confident	85.3	Confident	76 Å²	76	72.4 Å²	72.4	41%	0.406	36%	0.364	S	S	.	.	H	α-helix	trans	-65.4	-36.8	175.4	-67.4	166.6	0	0	0	112.9	F171 T172 R173 A179	F171-N175 HydrophobicContact CD1-CB 4.46Å; T172-N175 PolarHBondContact O-N 2.92Å; T172-N175 WeakPolarHBondContact OG1-CB 3.41Å; T172-N175 PolarHBondContact OG1-N 3.46Å; T172-N175 VanDerWaalsContact OG1-N 3.16Å; T172-N175 PolarHBondContact OG1-OD1 3.38Å; R173-N175 VanDerWaalsContact C-N 3.29Å; R173-N175 PolarHBondContact O-N 3.3Å; N175-A179 WeakPolarHBondContact O-CB 3.49Å; N175-A179 PolarHBondContact O-N 3.39Å
176	L	90.1	Very high	84.1	Confident	14 Å²	14	78 Å²	78	7%	0.073	39%	0.385	C	S	.	.	H	α-helix	trans	-68.8	-42	174.2	-66.3	175.1	0	0	0	110.9	L159 L162 F163 F171 T172 R173 D174 A179 V180 V192	L159-L176 HydrophobicContact CD2-CB 4.35Å; L159-L176 HydrophobicContact CD2-CD2 4.14Å; L162-L176 HydrophobicContact CD2-CD2 3.56Å; F163-L176 HydrophobicContact CE1-CD1 4.27Å; F163-L176 HydrophobicContact CE1-CD2 3.76Å; F163-L176 HydrophobicContact CZ-CD1 4.06Å; F163-L176 HydrophobicContact CZ-CD2 4.04Å; F171-L176 HydrophobicContact CB-CD1 4.14Å; F171-L176 HydrophobicContact CB-CD2 3.6Å; F171-L176 HydrophobicContact CB-CG 3.67Å; F171-L176 HydrophobicContact CD1-CD2 3.9Å; F171-L176 HydrophobicContact CD2-CD2 4.24Å; F171-L176 HydrophobicContact CG-CD2 3.67Å; F171-L176 HydrophobicContact CG-CG 4.3Å; T172-L176 PolarHBondContact O-N 3.49Å; T172-L176 VanDerWaalsContact O-N 3.09Å; R173-L176 WeakPolarHBondContact O-CB 3.15Å; R173-L176 PolarHBondContact O-N 3.4Å; R173-L176 VanDerWaalsContact O-N 3.11Å; D174-L176 VanDerWaalsContact C-N 3.34Å; D174-L176 PolarHBondContact O-N 3.2Å; L176-A179 PolarHBondContact O-N 3.2Å; L176-V180 WeakPolarHBondContact O-CB 3.33Å; L176-V180 WeakPolarHBondContact O-CG2 3.36Å; L176-V180 PolarHBondContact O-N 3.46Å; L176-V192 HydrophobicContact CB-CG1 3.71Å; L176-V192 HydrophobicContact CB-CG2 4.08Å; L176-V192 HydrophobicContact CD1-CG1 3.45Å; L176-V192 VanDerWaalsContact CD1-CG1 3.45Å; L176-V192 HydrophobicContact CG-CG1 4.21Å
177	L	86.8	Confident	83.1	Confident	15 Å²	15	73.7 Å²	73.7	8%	0.079	37%	0.373	C	S	.	.	H	α-helix	trans	-59	-51.5	177.1	-157.6	73.8	0	0	0	110.8	R173 D174 A179 V180 W181 G182 Y185 T191 V192	R173-L177 WeakPolarHBondContact O-CB 3.44Å; R173-L177 PolarHBondContact O-N 3.3Å; D174-L177 WeakPolarHBondContact O-CB 3.42Å; D174-L177 PolarHBondContact O-N 2.76Å; L177-A179 VanDerWaalsContact C-N 3.34Å; L177-A179 PolarHBondContact O-N 2.8Å; L177-V180 PolarHBondContact O-N 2.84Å; L177-W181 HydrophobicContact CD1-CD2 4.35Å; L177-W181 HydrophobicContact CD1-CE3 4.18Å; L177-W181 CarbonylContact O-C 3.53Å; L177-W181 VanDerWaalsContact O-CA 3.31Å; L177-W181 WeakPolarHBondContact O-CA 3.31Å; L177-W181 WeakPolarHBondContact O-CB 3.04Å; L177-W181 PolarHBondContact O-N 3.48Å; L177-G182 PolarHBondContact O-N 2.91Å; L177-Y185 HydrophobicContact CD1-CD1 3.8Å; L177-Y185 HydrophobicContact CD1-CE1 3.62Å; L177-Y185 HydrophobicContact CD2-CD1 3.69Å; L177-Y185 HydrophobicContact CD2-CE1 4.08Å; L177-Y185 HydrophobicContact CG-CD1 3.66Å; L177-Y185 HydrophobicContact CG-CE1 4.02Å; L177-T191 HydrophobicContact CD1-CG2 3.55Å; L177-V192 HydrophobicContact CB-CG2 4.24Å; L177-V192 HydrophobicContact CD1-CG2 3.73Å
178	D	86.5	Confident	82.5	Confident	42 Å²	42	72.5 Å²	72.5	23%	0.225	36%	0.363	C	S	.	.	H	α-helix	trans	-62.1	-42.3	178.9	-71.2	-19.5	0	0	0	111.7	D174 G182 Y183	D174-D178 WeakPolarHBondContact O-CB 3.44Å; D174-D178 VanDerWaalsContact O-CG 3.23Å; D174-D178 PolarHBondContact O-N 3.39Å; D178-G182 CarbonylContact O-C 3.53Å; D178-G182 WeakPolarHBondContact O-CA 3.41Å; D178-G182 PolarHBondContact O-N 3.38Å; D178-G182 VanDerWaalsContact O-N 3.11Å; D178-Y183 HydrophobicContact CB-CD1 3.8Å; D178-Y183 HydrophobicContact CB-CE1 3.66Å; D178-Y183 HydrophobicContact CB-CE2 4.48Å; D178-Y183 HydrophobicContact CB-CG 4.29Å; D178-Y183 VanDerWaalsContact CG-CE1 3.49Å; D178-Y183 WeakPolarHBondContact OD2-CD1 3.42Å; D178-Y183 VanDerWaalsContact OD2-CE1 3.23Å; D178-Y183 WeakPolarHBondContact OD2-CE1 3.27Å
179	A	85.6	Confident	82	Confident	43 Å²	43	66.2 Å²	66.2	36%	0.355	33%	0.332	S	S	.	.	H	α-helix	trans	-69.1	-38.6	-178.5	0	0	0	0	0	112.5	L162 N175 L176 L177	L162-A179 HydrophobicContact CD1-CB 4.38Å; L162-A179 HydrophobicContact CD2-CB 3.69Å; N175-A179 WeakPolarHBondContact O-CB 3.49Å; N175-A179 PolarHBondContact O-N 3.39Å; L176-A179 PolarHBondContact O-N 3.2Å; L177-A179 VanDerWaalsContact C-N 3.34Å; L177-A179 PolarHBondContact O-N 2.8Å
180	V	87.1	Confident	81.3	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.006	33%	0.325	C	S	.	.	H	α-helix	trans	-101.7	-43.8	-170.1	176.6	0	0	0	0	112.6	I118 K155 E158 L159 L162 L176 L177	I118-V180 HydrophobicContact CD1-CB 4.43Å; I118-V180 HydrophobicContact CD1-CG1 4.42Å; K155-V180 HydrophobicContact CD-CG1 3.56Å; K155-V180 PolarHBondContact NZ-O 3.38Å; E158-V180 HydrophobicContact CB-CG1 3.98Å; L159-V180 HydrophobicContact CD2-CG2 3.88Å; L159-V180 HydrophobicContact CG-CG1 4.45Å; L159-V180 HydrophobicContact CG-CG2 4.09Å; L162-V180 HydrophobicContact CD2-CG2 4.22Å; L176-V180 WeakPolarHBondContact O-CB 3.33Å; L176-V180 WeakPolarHBondContact O-CG2 3.36Å; L176-V180 PolarHBondContact O-N 3.46Å; L177-V180 PolarHBondContact O-N 2.84Å
181	W	86.3	Confident	80.8	Confident	1 Å²	1	58.8 Å²	58.8	0%	0.004	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-20.7	176.4	-76.5	-101.4	0	0	0	113.1	A113 R116 K155 L159 L177 Y185 T191 V192 H195	A113-W181 WeakPolarHBondContact CB-O 3.09Å; R116-W181 PolarHBondContact NH2-O 3.35Å; K155-W181 HydrophobicContact CB-CH2 4.09Å; K155-W181 HydrophobicContact CB-CZ2 3.92Å; K155-W181 HydrophobicContact CD-CD2 4.05Å; K155-W181 HydrophobicContact CD-CE3 4.49Å; K155-W181 HydrophobicContact CD-CH2 4.2Å; K155-W181 HydrophobicContact CD-CZ2 3.74Å; K155-W181 HydrophobicContact CG-CH2 4.37Å; K155-W181 HydrophobicContact CG-CZ2 3.78Å; L159-W181 HydrophobicContact CD1-CH2 4.29Å; L159-W181 HydrophobicContact CD1-CZ3 4.43Å; L177-W181 HydrophobicContact CD1-CD2 4.35Å; L177-W181 HydrophobicContact CD1-CE3 4.18Å; L177-W181 CarbonylContact O-C 3.53Å; L177-W181 VanDerWaalsContact O-CA 3.31Å; L177-W181 WeakPolarHBondContact O-CA 3.31Å; L177-W181 WeakPolarHBondContact O-CB 3.04Å; L177-W181 PolarHBondContact O-N 3.48Å; W181-Y185 HydrophobicContact CB-CD1 4.05Å; W181-Y185 HydrophobicContact CB-CD2 3.73Å; W181-Y185 HydrophobicContact CB-CE1 4.47Å; W181-Y185 HydrophobicContact CB-CE2 4.2Å; W181-Y185 HydrophobicContact CB-CG 3.62Å; W181-Y185 AromaticContact CD1-CD2 3.7Å; W181-Y185 AromaticContact CD1-CE2 3.33Å; W181-Y185 AromaticContact CD1-CZ 3.69Å; W181-Y185 HydrophobicContact CG-CD1 4.48Å; W181-Y185 HydrophobicContact CG-CD2 4.04Å; W181-Y185 HydrophobicContact CG-CE1 4.43Å; W181-Y185 HydrophobicContact CG-CE2 4Å; W181-Y185 HydrophobicContact CG-CG 4.26Å; W181-T191 HydrophobicContact CD2-CG2 4.09Å; W181-T191 HydrophobicContact CE3-CG2 4.36Å; W181-T191 HydrophobicContact CH2-CG2 4.08Å; W181-T191 HydrophobicContact CZ2-CG2 3.74Å; W181-T191 HydrophobicContact CZ3-CG2 4.37Å; W181-V192 HydrophobicContact CE3-CG2 4.33Å; W181-V192 HydrophobicContact CZ3-CG2 3.89Å; W181-H195 HydrophobicContact CH2-CB 4.44Å; W181-H195 AromaticContact CH2-CD2 3.53Å; W181-H195 AromaticContact CZ2-CD2 3.47Å; W181-H195 VanDerWaalsContact CZ2-CD2 3.47Å; W181-H195 WeakPolarHBondContact CZ2-CD2 3.45Å; W181-H195 AromaticContact CZ2-NE2 3.84Å
182	G	80.7	Confident	80.5	Confident	5 Å²	5	57.2 Å²	57.2	5%	0.052	28%	0.279	C	S	.	.			trans	97.6	151.9	178.1	0	0	0	0	0	113.2	L177 D178 D184 Y185	L177-G182 PolarHBondContact O-N 2.91Å; D178-G182 CarbonylContact O-C 3.53Å; D178-G182 WeakPolarHBondContact O-CA 3.41Å; D178-G182 PolarHBondContact O-N 3.38Å; D178-G182 VanDerWaalsContact O-N 3.11Å; G182-D184 PolarHBondContact O-N 3.13Å; G182-D184 VanDerWaalsContact O-N 3.17Å; G182-Y185 WeakPolarHBondContact O-CB 3.35Å; G182-Y185 PolarHBondContact O-N 3.05Å
183	Y	71	Confident	80.2	Confident	187 Å²	187	56 Å²	56	73%	0.733	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-31.4	-179.9	-71.2	-77.5	0	0	0	114.9	D178 Y185	D178-Y183 HydrophobicContact CB-CD1 3.8Å; D178-Y183 HydrophobicContact CB-CE1 3.66Å; D178-Y183 HydrophobicContact CB-CE2 4.48Å; D178-Y183 HydrophobicContact CB-CG 4.29Å; D178-Y183 VanDerWaalsContact CG-CE1 3.49Å; D178-Y183 WeakPolarHBondContact OD2-CD1 3.42Å; D178-Y183 VanDerWaalsContact OD2-CE1 3.23Å; D178-Y183 WeakPolarHBondContact OD2-CE1 3.27Å; Y183-Y185 PolarHBondContact O-N 2.96Å
184	D	71.1	Confident	79.8	Confident	130 Å²	130	49.9 Å²	49.9	70%	0.695	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	16.6	-179.5	-53.2	-39.2	0	0	0	112.9	G182 Y186	G182-D184 PolarHBondContact O-N 3.13Å; G182-D184 VanDerWaalsContact O-N 3.17Å; D184-Y186 WeakPolarHBondContact O-CD2 3.32Å; D184-Y186 WeakPolarHBondContact O-CE2 3.36Å; D184-Y186 PolarHBondContact O-N 3.14Å
185	Y	74.2	Confident	79.7	Confident	23 Å²	23	45.5 Å²	45.5	9%	0.09	22%	0.224	C	C	.	.			trans	-76.6	122.6	-179.1	177.1	-104.4	0	0	0	111.2	D96 R110 L177 W181 G182 Y183 G187 T191	D96-Y185 VanDerWaalsContact CG-OH 3.28Å; D96-Y185 PolarHBondContact OD1-OH 3.26Å; D96-Y185 VanDerWaalsContact OD2-CE2 3.29Å; D96-Y185 WeakPolarHBondContact OD2-CE2 3.35Å; D96-Y185 PolarHBondContact OD2-OH 3.07Å; R110-Y185 HydrophobicContact CG-CD2 4.47Å; R110-Y185 HydrophobicContact CG-CE2 4.19Å; R110-Y185 PolarHBondContact NH1-OH 3.18Å; L177-Y185 HydrophobicContact CD1-CD1 3.8Å; L177-Y185 HydrophobicContact CD1-CE1 3.62Å; L177-Y185 HydrophobicContact CD2-CD1 3.69Å; L177-Y185 HydrophobicContact CD2-CE1 4.08Å; L177-Y185 HydrophobicContact CG-CD1 3.66Å; L177-Y185 HydrophobicContact CG-CE1 4.02Å; W181-Y185 HydrophobicContact CB-CD1 4.05Å; W181-Y185 HydrophobicContact CB-CD2 3.73Å; W181-Y185 HydrophobicContact CB-CE1 4.47Å; W181-Y185 HydrophobicContact CB-CE2 4.2Å; W181-Y185 HydrophobicContact CB-CG 3.62Å; W181-Y185 AromaticContact CD1-CD2 3.7Å; W181-Y185 AromaticContact CD1-CE2 3.33Å; W181-Y185 AromaticContact CD1-CZ 3.69Å; W181-Y185 HydrophobicContact CG-CD1 4.48Å; W181-Y185 HydrophobicContact CG-CD2 4.04Å; W181-Y185 HydrophobicContact CG-CE1 4.43Å; W181-Y185 HydrophobicContact CG-CE2 4Å; W181-Y185 HydrophobicContact CG-CG 4.26Å; G182-Y185 WeakPolarHBondContact O-CB 3.35Å; G182-Y185 PolarHBondContact O-N 3.05Å; Y183-Y185 PolarHBondContact O-N 2.96Å; Y185-G187 VanDerWaalsContact CE1-N 3.31Å; Y185-G187 VanDerWaalsContact CZ-CA 3.46Å; Y185-T191 HydrophobicContact CE1-CG2 4.33Å
186	Y	63.8	Low	79.5	Confident	174 Å²	174	46.8 Å²	46.8	68%	0.682	22%	0.224	S	C	*	.			trans	-91.6	12.4	-175.7	-74.1	-85.7	0	0	0	114.1	R110 D184	R110-Y186 PolarHBondContact NH2-O 3.14Å; D184-Y186 WeakPolarHBondContact O-CD2 3.32Å; D184-Y186 WeakPolarHBondContact O-CE2 3.36Å; D184-Y186 PolarHBondContact O-N 3.14Å
187	G	67.9	Low	79.1	Confident	17 Å²	17	50.7 Å²	50.7	18%	0.175	24%	0.244	C	C	.	.	S	Bend	trans	-100.1	174.8	-175.7	0	0	0	0	0	115.2	Y185	Y185-G187 VanDerWaalsContact CE1-N 3.31Å; Y185-G187 VanDerWaalsContact CZ-CA 3.46Å
188	D	73.8	Confident	78.7	Confident	47 Å²	47	51.7 Å²	51.7	25%	0.251	25%	0.249	S	C	.	.			trans	-72.9	135.9	179.1	-166.4	-36.2	0	0	0	110.5	R86 Y97 R190 T191	R86-D188 IonicContact CZ-OD2 2.72Å; R86-D188 VanDerWaalsContact NH1-CB 3.33Å; R86-D188 VanDerWaalsContact NH1-CG 3.27Å; R86-D188 IonicContact NH1-OD2 2.78Å; R86-D188 PolarHBondContact NH1-OD2 3.49Å; R86-D188 IonicContact NH2-OD2 2.97Å; R86-D188 PolarHBondContact NH2-OD2 3.12Å; Y97-D188 HydrophobicContact CE1-CB 4.39Å; D188-R190 PolarHBondContact O-N 3.19Å; D188-R190 WeakPolarHBondContact OD1-CB 3.47Å; D188-R190 WeakPolarHBondContact OD1-CG 3.36Å; D188-R190 PolarHBondContact OD1-N 2.9Å; D188-T191 WeakPolarHBondContact O-CG2 3.5Å; D188-T191 PolarHBondContact O-N 3.42Å
189	S	77	Confident	78.5	Confident	31 Å²	31	50 Å²	50	22%	0.217	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.8	175.7	64.2	0	0	0	0	113.3	T191 V192	S189-T191 PolarHBondContact O-N 3.16Å; S189-T191 VanDerWaalsContact O-N 3.14Å; S189-V192 VanDerWaalsContact O-CB 3.31Å; S189-V192 WeakPolarHBondContact O-CB 3.31Å; S189-V192 PolarHBondContact O-N 3.09Å; S189-V192 VanDerWaalsContact O-N 3.07Å
190	R	75.5	Confident	78.1	Confident	94 Å²	94	51.4 Å²	51.4	36%	0.355	24%	0.241	S	C	.	.	H	α-helix	trans	-61.9	-15.5	172.9	-66.3	-163.2	-142.4	177.2	10.2	114.5	D83 R86 D188 V192 D193 S194	D83-R190 IonicContact OD1-CZ 3.97Å; D83-R190 IonicContact OD1-NH1 3.42Å; D83-R190 PolarHBondContact OD1-NH1 2.91Å; D83-R190 VanDerWaalsContact OD1-NH1 3.07Å; D83-R190 IonicContact OD1-NH2 2.81Å; D83-R190 PolarHBondContact OD1-NH2 3.37Å; D83-R190 IonicContact OD2-CZ 3.76Å; D83-R190 VanDerWaalsContact OD2-CZ 3.25Å; D83-R190 IonicContact OD2-NH1 3.07Å; D83-R190 PolarHBondContact OD2-NH1 3.39Å; D83-R190 IonicContact OD2-NH2 3.4Å; D83-R190 PolarHBondContact OD2-NH2 3.05Å; R86-R190 VanDerWaalsContact NH2-CD 3.26Å; R86-R190 VanDerWaalsContact NH2-CZ 3.33Å; R86-R190 VanDerWaalsContact NH2-NE 3.19Å; D188-R190 PolarHBondContact O-N 3.19Å; D188-R190 WeakPolarHBondContact OD1-CB 3.47Å; D188-R190 WeakPolarHBondContact OD1-CG 3.36Å; D188-R190 PolarHBondContact OD1-N 2.9Å; R190-V192 PolarHBondContact O-N 2.62Å; R190-D193 PolarHBondContact O-N 2.75Å; R190-S194 PolarHBondContact O-N 3.47Å
191	T	79	Confident	77.3	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-56.8	-37.6	170.6	-162.5	0	0	0	0	111.2	L177 W181 Y185 D188 S189 D193 S194 H195	L177-T191 HydrophobicContact CD1-CG2 3.55Å; W181-T191 HydrophobicContact CD2-CG2 4.09Å; W181-T191 HydrophobicContact CE3-CG2 4.36Å; W181-T191 HydrophobicContact CH2-CG2 4.08Å; W181-T191 HydrophobicContact CZ2-CG2 3.74Å; W181-T191 HydrophobicContact CZ3-CG2 4.37Å; Y185-T191 HydrophobicContact CE1-CG2 4.33Å; D188-T191 WeakPolarHBondContact O-CG2 3.5Å; D188-T191 PolarHBondContact O-N 3.42Å; S189-T191 PolarHBondContact O-N 3.16Å; S189-T191 VanDerWaalsContact O-N 3.14Å; T191-D193 VanDerWaalsContact C-N 3.35Å; T191-D193 PolarHBondContact O-N 2.84Å; T191-S194 PolarHBondContact O-N 3.36Å; T191-H195 PolarHBondContact O-CD2 2.94Å; T191-H195 PolarHBondContact O-N 2.91Å
192	V	84.1	Confident	76.3	Confident	2 Å²	2	57 Å²	57	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-43.5	178.4	174.1	0	0	0	0	111.7	L176 L177 W181 S189 R190 S194 H195 Y196	L176-V192 HydrophobicContact CB-CG1 3.71Å; L176-V192 HydrophobicContact CB-CG2 4.08Å; L176-V192 HydrophobicContact CD1-CG1 3.45Å; L176-V192 VanDerWaalsContact CD1-CG1 3.45Å; L176-V192 HydrophobicContact CG-CG1 4.21Å; L177-V192 HydrophobicContact CB-CG2 4.24Å; L177-V192 HydrophobicContact CD1-CG2 3.73Å; W181-V192 HydrophobicContact CE3-CG2 4.33Å; W181-V192 HydrophobicContact CZ3-CG2 3.89Å; S189-V192 VanDerWaalsContact O-CB 3.31Å; S189-V192 WeakPolarHBondContact O-CB 3.31Å; S189-V192 PolarHBondContact O-N 3.09Å; S189-V192 VanDerWaalsContact O-N 3.07Å; R190-V192 PolarHBondContact O-N 2.62Å; V192-S194 VanDerWaalsContact C-N 3.31Å; V192-S194 PolarHBondContact O-N 2.79Å; V192-H195 PolarHBondContact O-N 2.93Å; V192-Y196 VanDerWaalsContact O-CB 3.29Å; V192-Y196 WeakPolarHBondContact O-CB 3.36Å; V192-Y196 PolarHBondContact O-N 3.07Å
193	D	82.8	Confident	74.9	Confident	48 Å²	48	57.4 Å²	57.4	26%	0.257	29%	0.294	S	S	.	.	H	α-helix	trans	-62.4	-40.8	-175.9	-70.8	-0.3	0	0	0	111.3	R173 R190 T191 Y196 L197	R173-D193 IonicContact CZ-OD1 3.25Å; R173-D193 IonicContact CZ-OD2 3.37Å; R173-D193 VanDerWaalsContact CZ-OD2 3.29Å; R173-D193 IonicContact NE-OD1 2.93Å; R173-D193 PolarHBondContact NE-OD1 3.11Å; R173-D193 IonicContact NE-OD2 3.07Å; R173-D193 PolarHBondContact NE-OD2 3.17Å; R173-D193 IonicContact NH2-OD1 3.35Å; R173-D193 IonicContact NH2-OD2 2.72Å; R173-D193 PolarHBondContact NH2-OD2 3.04Å; R190-D193 PolarHBondContact O-N 2.75Å; T191-D193 VanDerWaalsContact C-N 3.35Å; T191-D193 PolarHBondContact O-N 2.84Å; D193-Y196 PolarHBondContact O-N 3.38Å; D193-L197 WeakPolarHBondContact O-CG 3.39Å; D193-L197 PolarHBondContact O-N 3.4Å
194	S	79.1	Confident	73.7	Confident	4 Å²	4	59.6 Å²	59.6	3%	0.028	31%	0.308	C	S	.	.	H	α-helix	trans	-69.8	-45.4	-177.4	-52.5	0	0	0	0	111.4	L90 R190 T191 V192 Y196 L197 I198	L90-S194 WeakPolarHBondContact CD1-OG 3.18Å; R190-S194 PolarHBondContact O-N 3.47Å; T191-S194 PolarHBondContact O-N 3.36Å; V192-S194 VanDerWaalsContact C-N 3.31Å; V192-S194 PolarHBondContact O-N 2.79Å; S194-Y196 VanDerWaalsContact C-N 3.3Å; S194-Y196 PolarHBondContact O-N 2.82Å; S194-L197 PolarHBondContact O-N 3.11Å; S194-I198 WeakPolarHBondContact O-CG1 3.23Å; S194-I198 PolarHBondContact O-N 2.84Å; S194-I198 VanDerWaalsContact O-N 3.16Å
195	H	83.9	Confident	73.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.5	-37	174.5	-74.9	-66.9	0	0	0	112	A94 D95 E156 L159 W181 T191 V192 I198 L199	A94-H195 PolarHBondContact O-CE1 3.37Å; A94-H195 PolarHBondContact O-NE2 3.29Å; D95-H195 PolarHBondContact O-NE2 2.72Å; E156-H195 IonicContact OE1-ND1 3.55Å; L159-H195 HydrophobicContact CD1-CB 3.54Å; W181-H195 HydrophobicContact CH2-CB 4.44Å; W181-H195 AromaticContact CH2-CD2 3.53Å; W181-H195 AromaticContact CZ2-CD2 3.47Å; W181-H195 VanDerWaalsContact CZ2-CD2 3.47Å; W181-H195 WeakPolarHBondContact CZ2-CD2 3.45Å; W181-H195 AromaticContact CZ2-NE2 3.84Å; T191-H195 PolarHBondContact O-CD2 2.94Å; T191-H195 PolarHBondContact O-N 2.91Å; V192-H195 PolarHBondContact O-N 2.93Å; H195-I198 PolarHBondContact O-N 3.26Å; H195-L199 WeakPolarHBondContact O-CG 3.46Å; H195-L199 PolarHBondContact O-N 3.09Å; H195-L199 VanDerWaalsContact O-N 3.16Å
196	Y	84.5	Confident	73.9	Confident	104 Å²	104	57.8 Å²	57.8	41%	0.408	30%	0.299	S	S	.	.	H	α-helix	trans	-64.9	-40.3	175.6	-179.5	-102.6	0	0	0	112.5	F163 V192 D193 S194 L199 L200	F163-Y196 AromaticContact CE2-CD2 3.8Å; F163-Y196 HydrophobicContact CE2-CD2 3.8Å; F163-Y196 HydrophobicContact CE2-CE2 4.07Å; F163-Y196 AromaticContact CZ-CD2 3.84Å; F163-Y196 HydrophobicContact CZ-CD2 3.84Å; F163-Y196 HydrophobicContact CZ-CE2 4.06Å; V192-Y196 VanDerWaalsContact O-CB 3.29Å; V192-Y196 WeakPolarHBondContact O-CB 3.36Å; V192-Y196 PolarHBondContact O-N 3.07Å; D193-Y196 PolarHBondContact O-N 3.38Å; S194-Y196 VanDerWaalsContact C-N 3.3Å; S194-Y196 PolarHBondContact O-N 2.82Å; Y196-L199 WeakPolarHBondContact O-CB 3.45Å; Y196-L199 PolarHBondContact O-N 3.44Å; Y196-L200 HydrophobicContact CD1-CD1 4.01Å; Y196-L200 HydrophobicContact CD1-CG 4.42Å; Y196-L200 HydrophobicContact CE1-CD1 3.45Å; Y196-L200 VanDerWaalsContact CE1-CD1 3.45Å; Y196-L200 HydrophobicContact CE1-CD2 4.48Å; Y196-L200 HydrophobicContact CE1-CG 3.96Å; Y196-L200 PolarHBondContact O-N 3.06Å
197	L	80.1	Confident	74.4	Confident	96 Å²	96	51.4 Å²	51.4	50%	0.503	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-42.8	176.2	-77	164.8	0	0	0	112.2	D193 S194 L199 L200 G201	D193-L197 WeakPolarHBondContact O-CG 3.39Å; D193-L197 PolarHBondContact O-N 3.4Å; S194-L197 PolarHBondContact O-N 3.11Å; L197-L199 VanDerWaalsContact C-N 3.28Å; L197-L199 PolarHBondContact O-N 3.11Å; L197-L200 PolarHBondContact O-N 2.84Å; L197-G201 PolarHBondContact O-N 2.86Å
198	I	79	Confident	74.8	Confident	36 Å²	36	53.4 Å²	53.4	19%	0.185	28%	0.284	C	S	.	.	H	α-helix	trans	-59.3	-42.9	175.5	-66.8	168.4	0	0	0	110.6	L90 E156 S194 H195 L200 G201 S202	L90-I198 WeakPolarHBondContact O-CD1 3.46Å; E156-I198 HydrophobicContact CG-CG2 4.35Å; S194-I198 WeakPolarHBondContact O-CG1 3.23Å; S194-I198 PolarHBondContact O-N 2.84Å; S194-I198 VanDerWaalsContact O-N 3.16Å; H195-I198 PolarHBondContact O-N 3.26Å; I198-L200 VanDerWaalsContact C-N 3.34Å; I198-L200 PolarHBondContact O-N 3.27Å; I198-G201 PolarHBondContact O-N 3.37Å; I198-S202 WeakPolarHBondContact O-CB 3.24Å; I198-S202 PolarHBondContact O-N 3.2Å; I198-S202 PolarHBondContact O-OG 3.24Å
199	L	82.1	Confident	74.9	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.037	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-40.7	176.8	-71.1	178.8	0	0	0	112.3	L152 E156 L159 L160 F163 H195 Y196 L197 G201 S202 A203	L152-L199 HydrophobicContact CD1-CD2 4.4Å; L152-L199 HydrophobicContact CD2-CD2 3.85Å; E156-L199 HydrophobicContact CB-CD2 3.79Å; E156-L199 HydrophobicContact CB-CG 4.3Å; E156-L199 HydrophobicContact CG-CD2 4.16Å; E156-L199 HydrophobicContact CG-CG 4.32Å; L159-L199 HydrophobicContact CB-CD1 3.73Å; L159-L199 HydrophobicContact CD1-CD1 4.45Å; L160-L199 HydrophobicContact CD1-CD2 3.8Å; L160-L199 HydrophobicContact CD2-CD1 4.07Å; L160-L199 HydrophobicContact CD2-CD2 4.09Å; L160-L199 HydrophobicContact CG-CD1 3.91Å; L160-L199 HydrophobicContact CG-CD2 3.58Å; L160-L199 HydrophobicContact CG-CG 4.33Å; F163-L199 HydrophobicContact CE2-CD1 4.44Å; H195-L199 WeakPolarHBondContact O-CG 3.46Å; H195-L199 PolarHBondContact O-N 3.09Å; H195-L199 VanDerWaalsContact O-N 3.16Å; Y196-L199 WeakPolarHBondContact O-CB 3.45Å; Y196-L199 PolarHBondContact O-N 3.44Å; L197-L199 VanDerWaalsContact C-N 3.28Å; L197-L199 PolarHBondContact O-N 3.11Å; L199-G201 VanDerWaalsContact C-N 3.35Å; L199-G201 PolarHBondContact O-N 3.16Å; L199-S202 PolarHBondContact O-N 3Å; L199-A203 WeakPolarHBondContact O-CB 3.48Å; L199-A203 PolarHBondContact O-N 3.39Å
200	L	77.8	Confident	74.7	Confident	71 Å²	71	55.3 Å²	55.3	37%	0.372	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-41.7	175.6	-74.2	177.1	0	0	0	112.1	Y196 L197 I198 S202 F204	Y196-L200 HydrophobicContact CD1-CD1 4.01Å; Y196-L200 HydrophobicContact CD1-CG 4.42Å; Y196-L200 HydrophobicContact CE1-CD1 3.45Å; Y196-L200 VanDerWaalsContact CE1-CD1 3.45Å; Y196-L200 HydrophobicContact CE1-CD2 4.48Å; Y196-L200 HydrophobicContact CE1-CG 3.96Å; Y196-L200 PolarHBondContact O-N 3.06Å; L197-L200 PolarHBondContact O-N 2.84Å; I198-L200 VanDerWaalsContact C-N 3.34Å; I198-L200 PolarHBondContact O-N 3.27Å; L200-S202 VanDerWaalsContact C-N 3.29Å; L200-S202 PolarHBondContact O-N 2.98Å; L200-F204 HydrophobicContact CD2-CD2 4.22Å; L200-F204 HydrophobicContact CD2-CE2 4.35Å
201	G	70.5	Confident	74.7	Confident	66 Å²	66	52.6 Å²	52.6	68%	0.68	29%	0.286	S	S	*	.	H	α-helix	trans	-72.2	-20.5	177.7	0	0	0	0	0	114.5	L197 I198 L199	L197-G201 PolarHBondContact O-N 2.86Å; I198-G201 PolarHBondContact O-N 3.37Å; L199-G201 VanDerWaalsContact C-N 3.35Å; L199-G201 PolarHBondContact O-N 3.16Å
202	S	63.8	Low	74.4	Confident	53 Å²	53	56.5 Å²	56.5	37%	0.371	31%	0.307	S	S	.	.	H	α-helix	trans	-97.1	-18.5	-177.9	-53.2	0	0	0	0	113.7	I198 L199 L200	I198-S202 WeakPolarHBondContact O-CB 3.24Å; I198-S202 PolarHBondContact O-N 3.2Å; I198-S202 PolarHBondContact O-OG 3.24Å; L199-S202 PolarHBondContact O-N 3Å; L200-S202 VanDerWaalsContact C-N 3.29Å; L200-S202 PolarHBondContact O-N 2.98Å
203	A	53.2	Low	73.5	Confident	15 Å²	15	61.1 Å²	61.1	12%	0.124	33%	0.332	C	S	.	.	H	α-helix	trans	-117.7	-0.6	-167.9	0	0	0	0	0	115	L199	L199-A203 WeakPolarHBondContact O-CB 3.48Å; L199-A203 PolarHBondContact O-N 3.39Å
204	F	45.7	Very low	72.7	Confident	233 Å²	233	62.3 Å²	62.3	100%	1.022	34%	0.339	S	S	*	.			trans	-145.4	0	-178.5	-61	-75.8	0	0	0	113	L200	L200-F204 HydrophobicContact CD2-CD2 4.22Å; L200-F204 HydrophobicContact CD2-CE2 4.35Å

Retrieved 204 of 204 residues in 520.5 ms (Link to these results)

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