A0A077ZP32_TRITR Loading...

Putataive InsB from Escherichia coli

Absolutely required for transposition of IS1.

AlphaFold DB , UniProt , Accession A0A077ZP32, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 125 aa.

						>A0A077ZP32_TRITR|A0A077ZP32
MDEQWGYVGAKSRQRWLFYAYDRIRRTVVAHVFGERTLATLERLMSLLSPFDVVIWMTDGWPLYESRLKGKLHVISKRYTQRIERHNLNLRQHLARLGRKSLSFSKSVELHDKVIGHYLNIKHYQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	93.4	Very high	90.4	Very high	20 Å²	20	35.4 Å²	35.4	10%	0.099	18%	0.18	C	C	.	.				0	148.5	0	-78.9	164.1	42.1	0	0	108.1	Y19 A20 L41 L44 M45 L48 W56 M57 T58 Y64	M1-Y19 WeakPolarHBondContact CA-O 3.39Å; M1-A20 HydrophobicContact CG-CB 3.78Å; M1-L41 HydrophobicContact CE-CD1 3.61Å; M1-L44 HydrophobicContact CE-CD2 3.86Å; M1-L44 HydrophobicContact CG-CD2 4.4Å; M1-L44 HydrophobicContact SD-CD2 4.35Å; M1-M45 HydrophobicContact CE-SD 4.25Å; M1-M45 HydrophobicContact SD-SD 4.44Å; M1-L48 HydrophobicContact SD-CD1 3.85Å; M1-W56 HydrophobicContact SD-CE3 3.5Å; M1-W56 HydrophobicContact SD-CZ3 3.35Å; M1-W56 WeakPolarHBondContact SD-CZ3 3.42Å; M1-M57 PolarHBondContact N-O 3.47Å; M1-T58 HydrophobicContact CB-CG2 4.23Å; M1-Y64 HydrophobicContact CB-CE1 4.5Å; M1-Y64 HydrophobicContact CE-CD1 3.89Å; M1-Y64 HydrophobicContact CE-CE1 3.42Å; M1-Y64 VanDerWaalsContact CE-CE1 3.42Å
2	D	93.5	Very high	90.3	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.064	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	164.8	177.7	-162.5	8.5	0	0	0	108.3	Y19 I83 N87	D2-Y19 PolarHBondContact N-O 3.38Å; D2-Y19 PolarHBondContact O-N 3.32Å; D2-I83 HydrophobicContact CB-CB 4.42Å; D2-I83 HydrophobicContact CB-CD1 3.42Å; D2-I83 VanDerWaalsContact CB-CD1 3.42Å; D2-I83 HydrophobicContact CB-CG1 3.65Å; D2-I83 HydrophobicContact CB-CG2 3.92Å; D2-N87 PolarHBondContact OD2-ND2 3.16Å
3	E	93.3	Very high	90.2	Very high	14 Å²	14	49.3 Å²	49.3	7%	0.065	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152.6	175	73.6	-88.7	-162.7	0	0	111.8	W16 L17 F18 R36 Y64	E3-W16 HydrophobicContact CB-CE3 4.13Å; E3-W16 HydrophobicContact CG-CE3 3.67Å; E3-W16 HydrophobicContact CG-CZ3 3.64Å; E3-L17 CarbonylContact C-O 3.57Å; E3-L17 VanDerWaalsContact CA-O 3.25Å; E3-L17 WeakPolarHBondContact CA-O 3.49Å; E3-F18 HydrophobicContact CB-CD1 3.71Å; E3-F18 HydrophobicContact CB-CE1 3.65Å; E3-F18 HydrophobicContact CB-CG 4.17Å; E3-F18 HydrophobicContact CB-CZ 4.11Å; E3-F18 HydrophobicContact CG-CE1 4.15Å; E3-F18 HydrophobicContact CG-CZ 4.45Å; E3-R36 IonicContact OE1-CZ 3.92Å; E3-R36 IonicContact OE1-NE 3.01Å; E3-R36 PolarHBondContact OE1-NE 3.21Å; E3-R36 IonicContact OE1-NH2 3.71Å; E3-R36 PolarHBondContact OE1-NH2 3.26Å; E3-Y64 VanDerWaalsContact OE2-CE2 3.24Å; E3-Y64 WeakPolarHBondContact OE2-CE2 3.36Å; E3-Y64 VanDerWaalsContact OE2-CZ 3.29Å; E3-Y64 PolarHBondContact OE2-OH 2.61Å
4	Q	93.4	Very high	90.3	Very high	14 Å²	14	52.1 Å²	52.1	7%	0.065	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	148.4	168.3	177.8	177.2	-0.6	0	0	110.1	W16 L17 N87	Q4-W16 CarbonylContact O-C 3.59Å; Q4-W16 WeakPolarHBondContact O-CA 3.48Å; Q4-L17 PolarHBondContact N-O 3.23Å; Q4-L17 PolarHBondContact O-N 2.73Å; Q4-N87 WeakPolarHBondContact CB-OD1 3.39Å; Q4-N87 PolarHBondContact OE1-O 2.83Å; Q4-N87 VanDerWaalsContact OE1-O 3.05Å; Q4-N87 PolarHBondContact OE1-OD1 3.4Å
5	W	91.8	Very high	90.6	Very high	104 Å²	104	52.4 Å²	52.4	39%	0.394	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	155.2	175.5	74.4	-79.7	0	0	0	114	Y7 Q14 R15 W16	W5-Y7 HydrophobicContact CH2-CD1 4.44Å; W5-Y7 AromaticContact CZ3-CD1 3.79Å; W5-Y7 HydrophobicContact CZ3-CD1 3.79Å; W5-Y7 HydrophobicContact CZ3-CG 4.44Å; W5-Q14 HydrophobicContact CE3-CB 4.45Å; W5-Q14 HydrophobicContact CE3-CG 3.94Å; W5-Q14 HydrophobicContact CZ3-CG 4.19Å; W5-R15 WeakPolarHBondContact CA-O 3.39Å; W5-W16 HydrophobicContact CB-CD2 3.5Å; W5-W16 VanDerWaalsContact CB-CD2 3.5Å; W5-W16 VanDerWaalsContact CB-CE2 3.5Å; W5-W16 HydrophobicContact CB-CE3 3.7Å; W5-W16 HydrophobicContact CB-CG 4.05Å; W5-W16 HydrophobicContact CB-CH2 3.88Å; W5-W16 HydrophobicContact CB-CZ2 3.71Å; W5-W16 HydrophobicContact CB-CZ3 3.88Å; W5-W16 AromaticContact CD1-CH2 3.57Å; W5-W16 AromaticContact CD1-CZ2 3.96Å; W5-W16 AromaticContact CD1-CZ3 3.96Å; W5-W16 HydrophobicContact CG-CD2 4.49Å; W5-W16 AromaticContact CG-CH2 3.9Å; W5-W16 HydrophobicContact CG-CH2 3.9Å; W5-W16 AromaticContact CG-CZ2 3.86Å; W5-W16 HydrophobicContact CG-CZ2 3.86Å; W5-W16 HydrophobicContact CG-CZ3 4.25Å
6	G	90.2	Very high	90.9	Very high	2 Å²	2	50.7 Å²	50.7	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	-167.9	157.1	0	0	0	0	0	108.9	Q14 R15	G6-Q14 WeakPolarHBondContact O-CA 3.36Å; G6-R15 PolarHBondContact N-O 3.11Å; G6-R15 PolarHBondContact O-N 2.96Å
7	Y	90	Very high	91.2	Very high	14 Å²	14	48 Å²	48	6%	0.055	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	153.9	176.4	61.1	-81.1	0	0	0	111.3	W5 K11 R13 K100 F104	W5-Y7 HydrophobicContact CH2-CD1 4.44Å; W5-Y7 AromaticContact CZ3-CD1 3.79Å; W5-Y7 HydrophobicContact CZ3-CD1 3.79Å; W5-Y7 HydrophobicContact CZ3-CG 4.44Å; Y7-K11 HydrophobicContact CD1-CG 4.25Å; Y7-K11 HydrophobicContact CD2-CB 4.5Å; Y7-K11 HydrophobicContact CD2-CG 4.04Å; Y7-K11 HydrophobicContact CE1-CG 4.17Å; Y7-K11 HydrophobicContact CE2-CG 3.95Å; Y7-K11 HydrophobicContact CG-CG 4.21Å; Y7-R13 WeakPolarHBondContact CA-O 3.4Å; Y7-R13 WeakPolarHBondContact CB-O 3.45Å; Y7-K100 HydrophobicContact CE2-CD 4.31Å; Y7-K100 HydrophobicContact CE2-CG 3.84Å; Y7-K100 WeakPolarHBondContact OH-CG 3.18Å; Y7-K100 PolarHBondContact OH-N 2.88Å; Y7-F104 AromaticContact CD2-CE2 3.54Å; Y7-F104 HydrophobicContact CD2-CE2 3.54Å; Y7-F104 AromaticContact CD2-CZ 3.3Å; Y7-F104 HydrophobicContact CD2-CZ 3.3Å; Y7-F104 HydrophobicContact CE1-CE2 4.33Å; Y7-F104 HydrophobicContact CE2-CD2 4.32Å; Y7-F104 HydrophobicContact CE2-CE1 4.27Å; Y7-F104 AromaticContact CE2-CE2 3.21Å; Y7-F104 HydrophobicContact CE2-CE2 3.21Å; Y7-F104 AromaticContact CE2-CZ 3.2Å; Y7-F104 HydrophobicContact CE2-CZ 3.2Å; Y7-F104 HydrophobicContact CG-CE2 4.21Å; Y7-F104 HydrophobicContact CG-CZ 4.27Å; Y7-F104 AromaticContact CZ-CE2 3.66Å; Y7-F104 WeakPolarHBondContact O-CE2 3.45Å; Y7-F104 VanDerWaalsContact O-CZ 3.29Å; Y7-F104 WeakPolarHBondContact O-CZ 3.34Å
8	V	88.7	Confident	91.5	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	22%	0.224	C	C	.	.	S	Bend	trans	-119.7	119.9	-177.4	-179.7	0	0	0	0	109	A10 R13 R15 V108 H111	V8-A10 VanDerWaalsContact C-N 3.26Å; V8-A10 PolarHBondContact O-N 3.32Å; V8-R13 PolarHBondContact N-O 3.04Å; V8-R13 VanDerWaalsContact O-CB 3.3Å; V8-R13 WeakPolarHBondContact O-CB 3.22Å; V8-R15 HydrophobicContact CG2-CB 4.32Å; V8-V108 HydrophobicContact CB-CG2 4.22Å; V8-V108 HydrophobicContact CG1-CG2 4.01Å; V8-V108 HydrophobicContact CG2-CG2 4.24Å; V8-H111 HydrophobicContact CG2-CB 3.85Å
9	G	86.9	Confident	91.7	Very high	28 Å²	28	43.2 Å²	43.2	29%	0.289	21%	0.213	S	C	.	.	S	Bend	trans	74.4	-68.6	-174.7	0	0	0	0	0	113.9	K100 F104 S105	G9-K100 WeakPolarHBondContact O-CE 3.44Å; G9-K100 PolarHBondContact O-NZ 3.19Å; G9-F104 VanDerWaalsContact N-CZ 3.34Å; G9-F104 WeakPolarHBondContact O-CE1 3.33Å; G9-S105 PolarHBondContact N-O 3.28Å
10	A	86.8	Confident	91.8	Very high	35 Å²	35	41.5 Å²	41.5	29%	0.289	21%	0.206	S	C	.	.	S	Bend	trans	-129.1	152.2	-176.8	0	0	0	0	0	111.2	V8 S12 R13	V8-A10 VanDerWaalsContact C-N 3.26Å; V8-A10 PolarHBondContact O-N 3.32Å; A10-S12 PolarHBondContact O-N 3.47Å; A10-R13 WeakPolarHBondContact O-CB 3.15Å; A10-R13 PolarHBondContact O-N 3.3Å
11	K	86.5	Confident	91.9	Very high	144 Å²	144	41.1 Å²	41.1	63%	0.626	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.1	-179.2	-70.7	-172.4	-179.9	-179.8	0	113.2	Y7 R13 Q14	Y7-K11 HydrophobicContact CD1-CG 4.25Å; Y7-K11 HydrophobicContact CD2-CB 4.5Å; Y7-K11 HydrophobicContact CD2-CG 4.04Å; Y7-K11 HydrophobicContact CE1-CG 4.17Å; Y7-K11 HydrophobicContact CE2-CG 3.95Å; Y7-K11 HydrophobicContact CG-CG 4.21Å; K11-R13 PolarHBondContact O-N 2.77Å; K11-Q14 WeakPolarHBondContact O-CG 3.31Å
12	S	88.9	Confident	91.9	Very high	110 Å²	110	41.7 Å²	41.7	77%	0.769	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.2	172.9	51.3	0	0	0	0	113	A10 Q14	A10-S12 PolarHBondContact O-N 3.47Å; S12-Q14 VanDerWaalsContact C-N 3.34Å; S12-Q14 PolarHBondContact O-N 3.46Å
13	R	89	Confident	91.7	Very high	142 Å²	142	45.6 Å²	45.6	54%	0.536	22%	0.22	S	C	.	.	S	Bend	trans	-94.3	67.3	176.5	-64.4	-179.3	66	-177.7	0.7	109.6	Y7 V8 A10 K11	Y7-R13 WeakPolarHBondContact CA-O 3.4Å; Y7-R13 WeakPolarHBondContact CB-O 3.45Å; V8-R13 PolarHBondContact N-O 3.04Å; V8-R13 VanDerWaalsContact O-CB 3.3Å; V8-R13 WeakPolarHBondContact O-CB 3.22Å; A10-R13 WeakPolarHBondContact O-CB 3.15Å; A10-R13 PolarHBondContact O-N 3.3Å; K11-R13 PolarHBondContact O-N 2.77Å
14	Q	92.2	Very high	91.5	Very high	89 Å²	89	52.2 Å²	52.2	42%	0.416	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	144.8	175.9	-64	-175.4	-11.8	0	0	110.7	W5 G6 K11 S12	W5-Q14 HydrophobicContact CE3-CB 4.45Å; W5-Q14 HydrophobicContact CE3-CG 3.94Å; W5-Q14 HydrophobicContact CZ3-CG 4.19Å; G6-Q14 WeakPolarHBondContact O-CA 3.36Å; K11-Q14 WeakPolarHBondContact O-CG 3.31Å; S12-Q14 VanDerWaalsContact C-N 3.34Å; S12-Q14 PolarHBondContact O-N 3.46Å
15	R	94.3	Very high	91.3	Very high	56 Å²	56	60.2 Å²	60.2	21%	0.211	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	117.8	172	-170.1	62	169.9	170	3.1	107.8	W5 G6 V8 D112	W5-R15 WeakPolarHBondContact CA-O 3.39Å; G6-R15 PolarHBondContact N-O 3.11Å; G6-R15 PolarHBondContact O-N 2.96Å; V8-R15 HydrophobicContact CG2-CB 4.32Å; R15-D112 WeakPolarHBondContact CG-OD1 3.03Å; R15-D112 IonicContact CZ-OD1 3.32Å; R15-D112 IonicContact CZ-OD2 3.76Å; R15-D112 IonicContact NE-OD1 3.2Å; R15-D112 PolarHBondContact NE-OD1 3.2Å; R15-D112 IonicContact NE-OD2 2.89Å; R15-D112 PolarHBondContact NE-OD2 3.35Å; R15-D112 IonicContact NH2-OD1 2.66Å; R15-D112 IonicContact NH2-OD2 2.89Å; R15-D112 PolarHBondContact NH2-OD2 2.82Å
16	W	95.4	Very high	91.2	Very high	25 Å²	25	62.7 Å²	62.7	10%	0.095	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.9	-177.6	-67.3	77.7	0	0	0	109.9	E3 Q4 W5 F18 F33 G34 R36	E3-W16 HydrophobicContact CB-CE3 4.13Å; E3-W16 HydrophobicContact CG-CE3 3.67Å; E3-W16 HydrophobicContact CG-CZ3 3.64Å; Q4-W16 CarbonylContact O-C 3.59Å; Q4-W16 WeakPolarHBondContact O-CA 3.48Å; W5-W16 HydrophobicContact CB-CD2 3.5Å; W5-W16 VanDerWaalsContact CB-CD2 3.5Å; W5-W16 VanDerWaalsContact CB-CE2 3.5Å; W5-W16 HydrophobicContact CB-CE3 3.7Å; W5-W16 HydrophobicContact CB-CG 4.05Å; W5-W16 HydrophobicContact CB-CH2 3.88Å; W5-W16 HydrophobicContact CB-CZ2 3.71Å; W5-W16 HydrophobicContact CB-CZ3 3.88Å; W5-W16 AromaticContact CD1-CH2 3.57Å; W5-W16 AromaticContact CD1-CZ2 3.96Å; W5-W16 AromaticContact CD1-CZ3 3.96Å; W5-W16 HydrophobicContact CG-CD2 4.49Å; W5-W16 AromaticContact CG-CH2 3.9Å; W5-W16 HydrophobicContact CG-CH2 3.9Å; W5-W16 AromaticContact CG-CZ2 3.86Å; W5-W16 HydrophobicContact CG-CZ2 3.86Å; W5-W16 HydrophobicContact CG-CZ3 4.25Å; W16-F18 HydrophobicContact CB-CD2 4.1Å; W16-F18 HydrophobicContact CB-CE2 3.62Å; W16-F18 HydrophobicContact CG-CE2 4.43Å; W16-F33 WeakPolarHBondContact O-CA 3.31Å; W16-G34 WeakPolarHBondContact CA-O 3.44Å; W16-G34 WeakPolarHBondContact CB-O 3.46Å; W16-G34 PolarHBondContact N-O 3.23Å; W16-G34 PolarHBondContact O-N 3.38Å; W16-R36 HydrophobicContact CD2-CB 3.65Å; W16-R36 HydrophobicContact CD2-CG 4.13Å; W16-R36 HydrophobicContact CE3-CB 4.27Å; W16-R36 HydrophobicContact CE3-CG 4.25Å; W16-R36 HydrophobicContact CG-CB 3.82Å; W16-R36 HydrophobicContact CZ2-CB 4.17Å; W16-R36 VanDerWaalsContact CZ2-CD 3.49Å; W16-R36 HydrophobicContact CZ2-CG 4.42Å; W16-R36 HydrophobicContact CZ3-CG 4.47Å
17	L	95.8	Very high	91.3	Very high	5 Å²	5	63.8 Å²	63.8	3%	0.026	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	122.6	164.1	168.1	65.8	0	0	0	107.3	E3 Q4 Y19 H31 F33 L90 I115 L119	E3-L17 CarbonylContact C-O 3.57Å; E3-L17 VanDerWaalsContact CA-O 3.25Å; E3-L17 WeakPolarHBondContact CA-O 3.49Å; Q4-L17 PolarHBondContact N-O 3.23Å; Q4-L17 PolarHBondContact O-N 2.73Å; L17-Y19 HydrophobicContact CD2-CD1 4.01Å; L17-Y19 HydrophobicContact CD2-CE1 4.26Å; L17-Y19 HydrophobicContact CG-CD1 3.91Å; L17-H31 HydrophobicContact CD1-CB 3.92Å; L17-F33 HydrophobicContact CB-CD1 4.16Å; L17-F33 HydrophobicContact CB-CE1 3.97Å; L17-F33 HydrophobicContact CD1-CD1 4.14Å; L17-F33 HydrophobicContact CD1-CE1 3.62Å; L17-F33 HydrophobicContact CD1-CZ 3.94Å; L17-F33 HydrophobicContact CG-CE1 4.29Å; L17-L90 HydrophobicContact CD2-CD1 4.31Å; L17-L90 HydrophobicContact CD2-CD2 4.34Å; L17-I115 HydrophobicContact CD2-CG2 3.97Å; L17-L119 HydrophobicContact CD1-CD1 3.97Å; L17-L119 HydrophobicContact CD2-CD1 4.28Å
18	F	96.2	Very high	91.4	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136	166.9	-73	-97.7	0	0	0	108.4	E3 W16 H31 V32 R36 T40 L44 W61	E3-F18 HydrophobicContact CB-CD1 3.71Å; E3-F18 HydrophobicContact CB-CE1 3.65Å; E3-F18 HydrophobicContact CB-CG 4.17Å; E3-F18 HydrophobicContact CB-CZ 4.11Å; E3-F18 HydrophobicContact CG-CE1 4.15Å; E3-F18 HydrophobicContact CG-CZ 4.45Å; W16-F18 HydrophobicContact CB-CD2 4.1Å; W16-F18 HydrophobicContact CB-CE2 3.62Å; W16-F18 HydrophobicContact CG-CE2 4.43Å; F18-H31 CarbonylContact O-C 3.6Å; F18-H31 WeakPolarHBondContact O-CA 3.24Å; F18-V32 HydrophobicContact CB-CG2 3.74Å; F18-V32 PolarHBondContact N-O 3.35Å; F18-V32 PolarHBondContact O-N 3.41Å; F18-R36 HydrophobicContact CZ-CB 4.43Å; F18-R36 HydrophobicContact CZ-CG 4.12Å; F18-T40 HydrophobicContact CD2-CG2 3.41Å; F18-T40 VanDerWaalsContact CD2-CG2 3.41Å; F18-T40 HydrophobicContact CE2-CG2 3.69Å; F18-T40 HydrophobicContact CG-CG2 4.21Å; F18-L44 HydrophobicContact CB-CD2 3.95Å; F18-W61 HydrophobicContact CE1-CE3 4.21Å; F18-W61 HydrophobicContact CE1-CH2 4.18Å; F18-W61 AromaticContact CE1-CZ3 3.5Å; F18-W61 HydrophobicContact CE1-CZ3 3.5Å; F18-W61 VanDerWaalsContact CE1-CZ3 3.5Å; F18-W61 HydrophobicContact CZ-CH2 4.02Å; F18-W61 AromaticContact CZ-CZ3 3.83Å; F18-W61 HydrophobicContact CZ-CZ3 3.83Å
19	Y	95.6	Very high	91.6	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.016	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	156.8	178.3	69	-73.8	0	0	0	113.6	M1 D2 L17 V28 A30 I83 N87	M1-Y19 WeakPolarHBondContact CA-O 3.39Å; D2-Y19 PolarHBondContact N-O 3.38Å; D2-Y19 PolarHBondContact O-N 3.32Å; L17-Y19 HydrophobicContact CD2-CD1 4.01Å; L17-Y19 HydrophobicContact CD2-CE1 4.26Å; L17-Y19 HydrophobicContact CG-CD1 3.91Å; Y19-V28 HydrophobicContact CD2-CG1 4.22Å; Y19-V28 HydrophobicContact CD2-CG2 3.78Å; Y19-V28 HydrophobicContact CE2-CG2 4.1Å; Y19-A30 CarbonylContact C-O 3.58Å; Y19-A30 VanDerWaalsContact CA-O 3.26Å; Y19-A30 WeakPolarHBondContact CA-O 3.29Å; Y19-A30 WeakPolarHBondContact CB-O 3.32Å; Y19-I83 HydrophobicContact CD2-CD1 3.97Å; Y19-I83 HydrophobicContact CD2-CG1 4.39Å; Y19-I83 HydrophobicContact CE1-CD1 4.31Å; Y19-I83 HydrophobicContact CE1-CG1 4.27Å; Y19-I83 HydrophobicContact CE2-CD1 3.49Å; Y19-I83 VanDerWaalsContact CE2-CD1 3.49Å; Y19-I83 HydrophobicContact CE2-CG1 3.43Å; Y19-I83 VanDerWaalsContact CE2-CG1 3.43Å; Y19-I83 WeakPolarHBondContact OH-CG1 3.47Å; Y19-I83 PolarHBondContact OH-O 2.82Å; Y19-I83 VanDerWaalsContact OH-O 3.07Å; Y19-N87 VanDerWaalsContact CE1-OD1 3.26Å; Y19-N87 WeakPolarHBondContact CE1-OD1 3.49Å; Y19-N87 PolarHBondContact OH-ND2 2.81Å; Y19-N87 PolarHBondContact OH-OD1 3.44Å
20	A	94.9	Very high	92	Very high	9 Å²	9	63.7 Å²	63.7	7%	0.074	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.5	175.3	0	0	0	0	0	110	M1 V28 V29 A30 L48	M1-A20 HydrophobicContact CG-CB 3.78Å; A20-V28 CarbonylContact O-C 3.48Å; A20-V28 WeakPolarHBondContact O-CA 3.37Å; A20-V29 PolarHBondContact O-N 3.41Å; A20-A30 PolarHBondContact N-O 3.21Å; A20-L48 HydrophobicContact CB-CD1 3.79Å; A20-L48 HydrophobicContact CB-CD2 3.68Å; A20-L48 HydrophobicContact CB-CG 4.3Å
21	Y	93.7	Very high	92.5	Very high	35 Å²	35	64 Å²	64	14%	0.137	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.8	179.2	178.1	-99.6	0	0	0	108.9	R23 R26 T27 V28 R82 H86	Y21-R23 PolarHBondContact O-N 2.79Å; Y21-R26 WeakPolarHBondContact CE2-O 3.38Å; Y21-R26 WeakPolarHBondContact OH-CA 3.4Å; Y21-R26 WeakPolarHBondContact OH-CB 3.49Å; Y21-R26 PolarHBondContact OH-O 3.19Å; Y21-T27 CarbonylContact C-O 3.49Å; Y21-T27 WeakPolarHBondContact CA-O 3.44Å; Y21-T27 WeakPolarHBondContact CD2-O 3.05Å; Y21-V28 HydrophobicContact CD2-CG2 4.2Å; Y21-R82 HydrophobicContact CE1-CB 4.22Å; Y21-H86 AromaticContact CE2-CD2 3.87Å; Y21-H86 AromaticContact CE2-NE2 3.4Å; Y21-H86 WeakPolarHBondContact CE2-NE2 3.21Å; Y21-H86 AromaticContact CZ-NE2 3.55Å
22	D	92.4	Very high	93	Very high	31 Å²	31	57.6 Å²	57.6	17%	0.166	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	114.7	171	-177	-23.9	0	0	0	108.6	I24 R25 R26 T27 V29	D22-I24 VanDerWaalsContact C-N 3.32Å; D22-I24 PolarHBondContact O-N 3.46Å; D22-I24 WeakPolarHBondContact OD1-CA 3.48Å; D22-I24 WeakPolarHBondContact OD1-CB 3.5Å; D22-I24 PolarHBondContact OD1-N 2.92Å; D22-R25 HydrophobicContact CB-CB 4.14Å; D22-R25 PolarHBondContact OD1-N 3.01Å; D22-R25 VanDerWaalsContact OD2-CD 3.31Å; D22-R25 WeakPolarHBondContact OD2-CD 3.49Å; D22-R25 VanDerWaalsContact OD2-CG 3.31Å; D22-R25 WeakPolarHBondContact OD2-CG 3.34Å; D22-R25 IonicContact OD2-CZ 3.91Å; D22-R25 IonicContact OD2-NE 2.7Å; D22-R25 IonicContact OD2-NH1 3.93Å; D22-R25 PolarHBondContact OD2-NH1 3.25Å; D22-R26 WeakPolarHBondContact O-CA 3.41Å; D22-R26 PolarHBondContact O-N 3Å; D22-T27 PolarHBondContact N-O 2.62Å; D22-T27 PolarHBondContact O-N 2.89Å; D22-V29 HydrophobicContact CB-CG2 3.54Å
23	R	88.9	Confident	93.4	Very high	95 Å²	95	53.2 Å²	53.2	36%	0.358	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-32.7	-179.7	175.3	179.4	-77.7	-91	-6.9	113	Y21 Y79	Y21-R23 PolarHBondContact O-N 2.79Å; R23-Y79 VanDerWaalsContact NH2-CA 3.27Å; R23-Y79 PolarHBondContact NH2-O 3.42Å
24	I	89	Confident	93.7	Very high	153 Å²	153	46.6 Å²	46.6	79%	0.785	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-54.6	-177.6	-59.2	176.9	0	0	0	108.7	D22 R26	D22-I24 VanDerWaalsContact C-N 3.32Å; D22-I24 PolarHBondContact O-N 3.46Å; D22-I24 WeakPolarHBondContact OD1-CA 3.48Å; D22-I24 WeakPolarHBondContact OD1-CB 3.5Å; D22-I24 PolarHBondContact OD1-N 2.92Å; I24-R26 PolarHBondContact O-N 2.86Å
25	R	89.9	Confident	93.9	Very high	181 Å²	181	48.7 Å²	48.7	68%	0.683	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-17.1	179.2	-64.8	-178.5	177.8	84.1	-0.9	113.1	D22 T27	D22-R25 HydrophobicContact CB-CB 4.14Å; D22-R25 PolarHBondContact OD1-N 3.01Å; D22-R25 VanDerWaalsContact OD2-CD 3.31Å; D22-R25 WeakPolarHBondContact OD2-CD 3.49Å; D22-R25 VanDerWaalsContact OD2-CG 3.31Å; D22-R25 WeakPolarHBondContact OD2-CG 3.34Å; D22-R25 IonicContact OD2-CZ 3.91Å; D22-R25 IonicContact OD2-NE 2.7Å; D22-R25 IonicContact OD2-NH1 3.93Å; D22-R25 PolarHBondContact OD2-NH1 3.25Å; R25-T27 WeakPolarHBondContact CB-OG1 3.44Å; R25-T27 PolarHBondContact O-N 3.01Å
26	R	89.7	Confident	93.9	Very high	157 Å²	157	50.8 Å²	50.8	59%	0.592	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	27	-176.5	-57.8	179.3	179.9	-179.1	3.9	113.9	Y21 D22 I24	Y21-R26 WeakPolarHBondContact CE2-O 3.38Å; Y21-R26 WeakPolarHBondContact OH-CA 3.4Å; Y21-R26 WeakPolarHBondContact OH-CB 3.49Å; Y21-R26 PolarHBondContact OH-O 3.19Å; D22-R26 WeakPolarHBondContact O-CA 3.41Å; D22-R26 PolarHBondContact O-N 3Å; I24-R26 PolarHBondContact O-N 2.86Å
27	T	91.8	Very high	93.9	Very high	25 Å²	25	52 Å²	52	15%	0.153	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	156	-176.5	53.5	0	0	0	0	111.7	Y21 D22 R25 H123	Y21-T27 CarbonylContact C-O 3.49Å; Y21-T27 WeakPolarHBondContact CA-O 3.44Å; Y21-T27 WeakPolarHBondContact CD2-O 3.05Å; D22-T27 PolarHBondContact N-O 2.62Å; D22-T27 PolarHBondContact O-N 2.89Å; R25-T27 WeakPolarHBondContact CB-OG1 3.44Å; R25-T27 PolarHBondContact O-N 3.01Å; T27-H123 CarbonylContact C-O 3.57Å; T27-H123 WeakPolarHBondContact CA-O 3.3Å; T27-H123 WeakPolarHBondContact CB-O 3.48Å; T27-H123 WeakPolarHBondContact CG2-O 3.11Å
28	V	92.9	Very high	93.9	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	131.2	165.1	171.3	0	0	0	0	107.6	Y19 A20 Y21 H123 Y124	Y19-V28 HydrophobicContact CD2-CG1 4.22Å; Y19-V28 HydrophobicContact CD2-CG2 3.78Å; Y19-V28 HydrophobicContact CE2-CG2 4.1Å; A20-V28 CarbonylContact O-C 3.48Å; A20-V28 WeakPolarHBondContact O-CA 3.37Å; Y21-V28 HydrophobicContact CD2-CG2 4.2Å; V28-H123 HydrophobicContact CB-CB 3.84Å; V28-H123 HydrophobicContact CG2-CB 3.54Å; V28-H123 PolarHBondContact N-O 3.4Å; V28-Y124 HydrophobicContact CB-CE2 4.18Å; V28-Y124 HydrophobicContact CG1-CE2 3.9Å; V28-Y124 WeakPolarHBondContact O-CD1 3.43Å; V28-Y124 WeakPolarHBondContact O-CE1 3.44Å
29	V	93.5	Very high	93.9	Very high	34 Å²	34	58.4 Å²	58.4	21%	0.206	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-43.3	-175.8	-179.2	0	0	0	0	110.8	A20 D22 L48 F51	A20-V29 PolarHBondContact O-N 3.41Å; D22-V29 HydrophobicContact CB-CG2 3.54Å; V29-L48 HydrophobicContact CB-CD2 4.42Å; V29-L48 HydrophobicContact CG1-CD2 4.08Å; V29-F51 HydrophobicContact CG1-CD1 3.71Å; V29-F51 HydrophobicContact CG1-CD2 3.92Å; V29-F51 HydrophobicContact CG1-CE1 3.32Å; V29-F51 HydrophobicContact CG1-CE2 3.53Å; V29-F51 HydrophobicContact CG1-CG 4Å; V29-F51 HydrophobicContact CG1-CZ 3.21Å
30	A	95.6	Very high	93.9	Very high	6 Å²	6	58.6 Å²	58.6	5%	0.05	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	149.5	-179.9	0	0	0	0	0	109.6	Y19 A20 L44 L47 L48	Y19-A30 CarbonylContact C-O 3.58Å; Y19-A30 VanDerWaalsContact CA-O 3.26Å; Y19-A30 WeakPolarHBondContact CA-O 3.29Å; Y19-A30 WeakPolarHBondContact CB-O 3.32Å; A20-A30 PolarHBondContact N-O 3.21Å; A30-L44 HydrophobicContact CB-CD1 3.73Å; A30-L47 HydrophobicContact CB-CB 3.88Å; A30-L47 HydrophobicContact CB-CD1 4.31Å; A30-L48 HydrophobicContact CB-CD2 3.83Å; A30-L48 HydrophobicContact CB-CG 4.25Å
31	H	96.8	Very high	94	Very high	42 Å²	42	58.2 Å²	58.2	19%	0.194	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	152.2	171.6	71.7	-84.2	0	0	0	110.7	L17 F18 F33 L119 Y124	L17-H31 HydrophobicContact CD1-CB 3.92Å; F18-H31 CarbonylContact O-C 3.6Å; F18-H31 WeakPolarHBondContact O-CA 3.24Å; H31-F33 AromaticContact CD2-CE2 3.55Å; H31-F33 AromaticContact CD2-CZ 3.96Å; H31-F33 AromaticContact NE2-CE2 3.73Å; H31-L119 HydrophobicContact CB-CD1 3.9Å; H31-Y124 AromaticContact ND1-CE2 3.88Å; H31-Y124 AromaticContact ND1-CZ 3.82Å; H31-Y124 PolarHBondContact ND1-OH 3.29Å
32	V	97.4	Very high	94.1	Very high	8 Å²	8	59.7 Å²	59.7	5%	0.048	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.9	172.8	-60.6	0	0	0	0	110	F18 T40 R43 L44 L47	F18-V32 HydrophobicContact CB-CG2 3.74Å; F18-V32 PolarHBondContact N-O 3.35Å; F18-V32 PolarHBondContact O-N 3.41Å; V32-T40 HydrophobicContact CG2-CG2 3.8Å; V32-R43 HydrophobicContact CG1-CB 4.19Å; V32-L44 HydrophobicContact CG1-CB 4.32Å; V32-L44 HydrophobicContact CG2-CB 3.79Å; V32-L47 HydrophobicContact CG1-CD1 3.5Å
33	F	96.8	Very high	94.3	Very high	19 Å²	19	64.7 Å²	64.7	8%	0.083	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.7	170.7	-59.5	-79.5	0	0	0	110.6	W16 L17 H31 R43 D112 I115	W16-F33 WeakPolarHBondContact O-CA 3.31Å; L17-F33 HydrophobicContact CB-CD1 4.16Å; L17-F33 HydrophobicContact CB-CE1 3.97Å; L17-F33 HydrophobicContact CD1-CD1 4.14Å; L17-F33 HydrophobicContact CD1-CE1 3.62Å; L17-F33 HydrophobicContact CD1-CZ 3.94Å; L17-F33 HydrophobicContact CG-CE1 4.29Å; H31-F33 AromaticContact CD2-CE2 3.55Å; H31-F33 AromaticContact CD2-CZ 3.96Å; H31-F33 AromaticContact NE2-CE2 3.73Å; F33-R43 PolarHBondContact O-NH1 2.88Å; F33-D112 HydrophobicContact CD2-CB 3.7Å; F33-D112 HydrophobicContact CE2-CB 3.95Å; F33-D112 WeakPolarHBondContact CE2-O 3.43Å; F33-D112 HydrophobicContact CG-CB 4.01Å; F33-D112 HydrophobicContact CZ-CB 4.46Å; F33-D112 WeakPolarHBondContact CZ-O 3.46Å; F33-I115 HydrophobicContact CE1-CB 3.82Å; F33-I115 HydrophobicContact CE1-CD1 4.03Å; F33-I115 HydrophobicContact CE1-CG2 3.65Å; F33-I115 HydrophobicContact CZ-CB 3.68Å; F33-I115 HydrophobicContact CZ-CG2 3.63Å
34	G	95.6	Very high	94.7	Very high	3 Å²	3	60.2 Å²	60.2	3%	0.031	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	-168.5	-177.8	0	0	0	0	0	113.2	W16	W16-G34 WeakPolarHBondContact CA-O 3.44Å; W16-G34 WeakPolarHBondContact CB-O 3.46Å; W16-G34 PolarHBondContact N-O 3.23Å; W16-G34 PolarHBondContact O-N 3.38Å
35	E	95.3	Very high	95	Very high	132 Å²	132	53.4 Å²	53.4	62%	0.617	25%	0.248	S	C	*	.			trans	-80.2	164.9	165	-63.1	-178.3	164.2	0	0	110	T37 T40	E35-T37 HydrophobicContact CB-CG2 3.8Å; E35-T37 PolarHBondContact O-N 3.4Å; E35-T40 PolarHBondContact N-OG1 3.11Å; E35-T40 WeakPolarHBondContact O-CB 3.11Å; E35-T40 PolarHBondContact O-OG1 3.42Å
36	R	95.2	Very high	95.3	Very high	100 Å²	100	48.5 Å²	48.5	38%	0.377	24%	0.242	S	C	.	.	S	Bend	trans	-78.5	69.3	175.5	-170.3	170.6	-169.5	-142.3	9	111.1	E3 W16 F18 W61	E3-R36 IonicContact OE1-CZ 3.92Å; E3-R36 IonicContact OE1-NE 3.01Å; E3-R36 PolarHBondContact OE1-NE 3.21Å; E3-R36 IonicContact OE1-NH2 3.71Å; E3-R36 PolarHBondContact OE1-NH2 3.26Å; W16-R36 HydrophobicContact CD2-CB 3.65Å; W16-R36 HydrophobicContact CD2-CG 4.13Å; W16-R36 HydrophobicContact CE3-CB 4.27Å; W16-R36 HydrophobicContact CE3-CG 4.25Å; W16-R36 HydrophobicContact CG-CB 3.82Å; W16-R36 HydrophobicContact CZ2-CB 4.17Å; W16-R36 VanDerWaalsContact CZ2-CD 3.49Å; W16-R36 HydrophobicContact CZ2-CG 4.42Å; W16-R36 HydrophobicContact CZ3-CG 4.47Å; F18-R36 HydrophobicContact CZ-CB 4.43Å; F18-R36 HydrophobicContact CZ-CG 4.12Å; R36-W61 HydrophobicContact CG-CH2 3.48Å; R36-W61 VanDerWaalsContact CG-CH2 3.48Å; R36-W61 HydrophobicContact CG-CZ2 3.32Å; R36-W61 HydrophobicContact CG-CZ3 4.34Å
37	T	95	Very high	95.6	Very high	51 Å²	51	45.1 Å²	45.1	31%	0.313	24%	0.235	S	C	.	.	S	Bend	trans	-130.5	162.7	-174.1	63.4	0	0	0	0	111.4	E35 A39 T40 L41	E35-T37 HydrophobicContact CB-CG2 3.8Å; E35-T37 PolarHBondContact O-N 3.4Å; T37-A39 VanDerWaalsContact C-N 3.26Å; T37-A39 PolarHBondContact O-N 2.92Å; T37-T40 PolarHBondContact O-N 2.91Å; T37-T40 PolarHBondContact OG1-N 3.12Å; T37-T40 PolarHBondContact OG1-OG1 3.07Å; T37-L41 PolarHBondContact O-N 2.93Å
38	L	94.8	Very high	95.8	Very high	74 Å²	74	44.2 Å²	44.2	39%	0.387	23%	0.23	S	C	.	.	H	α-helix	trans	-60	-37.8	174.6	-178.9	60.2	0	0	0	111.4	T40 L41 E42 L63	L38-T40 VanDerWaalsContact C-N 3.33Å; L38-T40 PolarHBondContact O-N 2.9Å; L38-L41 HydrophobicContact CD1-CD2 4.25Å; L38-L41 CarbonylContact O-C 3.56Å; L38-L41 WeakPolarHBondContact O-CA 3.11Å; L38-L41 WeakPolarHBondContact O-CB 3.02Å; L38-L41 PolarHBondContact O-N 2.75Å; L38-L41 VanDerWaalsContact O-N 3.07Å; L38-E42 HydrophobicContact CD1-CG 4.49Å; L38-E42 HydrophobicContact CG-CG 4.39Å; L38-E42 WeakPolarHBondContact O-CG 3.49Å; L38-E42 PolarHBondContact O-N 2.74Å; L38-L63 HydrophobicContact CB-CD1 4.13Å; L38-L63 HydrophobicContact CB-CD2 4.49Å
39	A	96.2	Very high	95.9	Very high	66 Å²	66	48.6 Å²	48.6	55%	0.545	26%	0.26	S	S	.	.	H	α-helix	trans	-60.2	-40.6	178.5	0	0	0	0	0	112.5	T37 E42 R43	T37-A39 VanDerWaalsContact C-N 3.26Å; T37-A39 PolarHBondContact O-N 2.92Å; A39-E42 PolarHBondContact O-N 2.86Å; A39-R43 WeakPolarHBondContact O-CG 3.18Å; A39-R43 PolarHBondContact O-N 3.32Å
40	T	96.5	Very high	96	Very high	8 Å²	8	52 Å²	52	5%	0.049	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-41.1	173.5	-54.4	0	0	0	0	111.2	F18 V32 E35 T37 L38 R43 L44	F18-T40 HydrophobicContact CD2-CG2 3.41Å; F18-T40 VanDerWaalsContact CD2-CG2 3.41Å; F18-T40 HydrophobicContact CE2-CG2 3.69Å; F18-T40 HydrophobicContact CG-CG2 4.21Å; V32-T40 HydrophobicContact CG2-CG2 3.8Å; E35-T40 PolarHBondContact N-OG1 3.11Å; E35-T40 WeakPolarHBondContact O-CB 3.11Å; E35-T40 PolarHBondContact O-OG1 3.42Å; T37-T40 PolarHBondContact O-N 2.91Å; T37-T40 PolarHBondContact OG1-N 3.12Å; T37-T40 PolarHBondContact OG1-OG1 3.07Å; L38-T40 VanDerWaalsContact C-N 3.33Å; L38-T40 PolarHBondContact O-N 2.9Å; T40-R43 WeakPolarHBondContact O-CB 3.48Å; T40-R43 PolarHBondContact O-N 3.47Å; T40-L44 PolarHBondContact O-N 3.39Å
41	L	96.2	Very high	95.9	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-44.7	175.6	178.3	57.8	0	0	0	111.6	M1 T37 L38 R43 L44 M45 L63 Y64 R67	M1-L41 HydrophobicContact CE-CD1 3.61Å; T37-L41 PolarHBondContact O-N 2.93Å; L38-L41 HydrophobicContact CD1-CD2 4.25Å; L38-L41 CarbonylContact O-C 3.56Å; L38-L41 WeakPolarHBondContact O-CA 3.11Å; L38-L41 WeakPolarHBondContact O-CB 3.02Å; L38-L41 PolarHBondContact O-N 2.75Å; L38-L41 VanDerWaalsContact O-N 3.07Å; L41-R43 VanDerWaalsContact C-N 3.28Å; L41-R43 PolarHBondContact O-N 3.5Å; L41-L44 WeakPolarHBondContact O-CA 3.37Å; L41-L44 WeakPolarHBondContact O-CB 3.26Å; L41-L44 PolarHBondContact O-N 3.43Å; L41-M45 HydrophobicContact CD1-CG 4.32Å; L41-M45 HydrophobicContact CG-CG 4.36Å; L41-M45 VanDerWaalsContact O-CG 3.32Å; L41-M45 WeakPolarHBondContact O-CG 3.43Å; L41-M45 PolarHBondContact O-N 3.2Å; L41-L63 HydrophobicContact CD2-CB 4.13Å; L41-Y64 HydrophobicContact CD1-CD1 3.93Å; L41-Y64 HydrophobicContact CD1-CE1 3.58Å; L41-Y64 HydrophobicContact CD2-CD1 3.96Å; L41-Y64 HydrophobicContact CD2-CE1 4.27Å; L41-R67 HydrophobicContact CD2-CB 4.04Å; L41-R67 HydrophobicContact CD2-CG 4.22Å
42	E	96	Very high	95.7	Very high	65 Å²	65	61.9 Å²	61.9	30%	0.304	33%	0.332	S	S	.	.	H	α-helix	trans	-59.9	-37.6	177.1	-70.8	-53.9	151.5	0	0	112.7	L38 A39 L44 M45 S46 R67	L38-E42 HydrophobicContact CD1-CG 4.49Å; L38-E42 HydrophobicContact CG-CG 4.39Å; L38-E42 WeakPolarHBondContact O-CG 3.49Å; L38-E42 PolarHBondContact O-N 2.74Å; A39-E42 PolarHBondContact O-N 2.86Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 2.9Å; E42-M45 PolarHBondContact O-N 2.91Å; E42-S46 WeakPolarHBondContact O-CB 3.15Å; E42-S46 PolarHBondContact O-N 3.2Å; E42-R67 WeakPolarHBondContact OE1-CD 3.48Å; E42-R67 IonicContact OE1-CZ 3.43Å; E42-R67 IonicContact OE1-NE 3.35Å; E42-R67 PolarHBondContact OE1-NE 3.5Å; E42-R67 IonicContact OE2-CZ 2.73Å; E42-R67 IonicContact OE2-NE 3.24Å; E42-R67 PolarHBondContact OE2-NE 2.95Å; E42-R67 IonicContact OE2-NH2 2.77Å; E42-R67 PolarHBondContact OE2-NH2 3.06Å
43	R	97.6	Very high	95.5	Very high	137 Å²	137	63.9 Å²	63.9	52%	0.517	34%	0.344	S	S	.	.	H	α-helix	trans	-61.2	-42.1	174.3	-70.3	171.8	64.5	-145.3	-2.5	111.2	V32 F33 A39 T40 L41 S46 L47	V32-R43 HydrophobicContact CG1-CB 4.19Å; F33-R43 PolarHBondContact O-NH1 2.88Å; A39-R43 WeakPolarHBondContact O-CG 3.18Å; A39-R43 PolarHBondContact O-N 3.32Å; T40-R43 WeakPolarHBondContact O-CB 3.48Å; T40-R43 PolarHBondContact O-N 3.47Å; L41-R43 VanDerWaalsContact C-N 3.28Å; L41-R43 PolarHBondContact O-N 3.5Å; R43-S46 PolarHBondContact O-N 2.79Å; R43-L47 WeakPolarHBondContact O-CG 3.21Å; R43-L47 PolarHBondContact O-N 2.87Å
44	L	96.9	Very high	95.3	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-63.8	-44.9	173.6	-177.4	60.4	0	0	0	111.2	M1 F18 A30 V32 T40 L41 E42 S46 L47 L48	M1-L44 HydrophobicContact CE-CD2 3.86Å; M1-L44 HydrophobicContact CG-CD2 4.4Å; M1-L44 HydrophobicContact SD-CD2 4.35Å; F18-L44 HydrophobicContact CB-CD2 3.95Å; A30-L44 HydrophobicContact CB-CD1 3.73Å; V32-L44 HydrophobicContact CG1-CB 4.32Å; V32-L44 HydrophobicContact CG2-CB 3.79Å; T40-L44 PolarHBondContact O-N 3.39Å; L41-L44 WeakPolarHBondContact O-CA 3.37Å; L41-L44 WeakPolarHBondContact O-CB 3.26Å; L41-L44 PolarHBondContact O-N 3.43Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 2.9Å; L44-S46 VanDerWaalsContact C-N 3.27Å; L44-S46 PolarHBondContact O-N 2.82Å; L44-L47 PolarHBondContact O-N 3.47Å; L44-L48 HydrophobicContact CD1-CD1 4.37Å; L44-L48 HydrophobicContact CG-CD1 4.02Å; L44-L48 WeakPolarHBondContact O-CG 3.35Å; L44-L48 PolarHBondContact O-N 2.83Å
45	M	95.3	Very high	95.2	Very high	10 Å²	10	71.3 Å²	71.3	5%	0.049	39%	0.387	C	S	.	.	H	α-helix	trans	-60.8	-37.2	178.8	-64.9	-60.8	-70.4	0	0	112.2	M1 L41 E42 L48 S49 W56 R67 L68	M1-M45 HydrophobicContact CE-SD 4.25Å; M1-M45 HydrophobicContact SD-SD 4.44Å; L41-M45 HydrophobicContact CD1-CG 4.32Å; L41-M45 HydrophobicContact CG-CG 4.36Å; L41-M45 VanDerWaalsContact O-CG 3.32Å; L41-M45 WeakPolarHBondContact O-CG 3.43Å; L41-M45 PolarHBondContact O-N 3.2Å; E42-M45 PolarHBondContact O-N 2.91Å; M45-L48 CarbonylContact O-C 3.6Å; M45-L48 PolarHBondContact O-N 2.85Å; M45-S49 PolarHBondContact O-N 2.88Å; M45-S49 VanDerWaalsContact O-N 3.07Å; M45-W56 HydrophobicContact CE-CE3 4.39Å; M45-W56 HydrophobicContact CE-CH2 3.58Å; M45-W56 HydrophobicContact CE-CZ2 4.09Å; M45-W56 HydrophobicContact CE-CZ3 3.74Å; M45-W56 HydrophobicContact SD-CE3 4.37Å; M45-W56 HydrophobicContact SD-CH2 3.88Å; M45-W56 HydrophobicContact SD-CZ3 3.56Å; M45-W56 VanDerWaalsContact SD-CZ3 3.56Å; M45-R67 HydrophobicContact CE-CG 4.46Å; M45-R67 HydrophobicContact CG-CG 4.28Å; M45-L68 HydrophobicContact CE-CD2 3.69Å; M45-L68 HydrophobicContact SD-CD2 4.36Å
46	S	96.6	Very high	95.2	Very high	78 Å²	78	65.8 Å²	65.8	55%	0.545	36%	0.36	S	S	.	.	H	α-helix	trans	-64.8	-41.7	175.5	177.6	0	0	0	0	111.9	E42 R43 L44 L48 S49	E42-S46 WeakPolarHBondContact O-CB 3.15Å; E42-S46 PolarHBondContact O-N 3.2Å; R43-S46 PolarHBondContact O-N 2.79Å; L44-S46 VanDerWaalsContact C-N 3.27Å; L44-S46 PolarHBondContact O-N 2.82Å; S46-L48 PolarHBondContact O-N 3.22Å; S46-S49 WeakPolarHBondContact O-CB 3.35Å; S46-S49 PolarHBondContact O-N 3.11Å; S46-S49 PolarHBondContact O-OG 2.87Å
47	L	96.6	Very high	95.1	Very high	86 Å²	86	63.2 Å²	63.2	45%	0.45	35%	0.353	S	S	.	.	H	α-helix	trans	-65.2	-26.7	173.2	-66.5	178	0	0	0	112.8	A30 V32 R43 L44 P50 F51	A30-L47 HydrophobicContact CB-CB 3.88Å; A30-L47 HydrophobicContact CB-CD1 4.31Å; V32-L47 HydrophobicContact CG1-CD1 3.5Å; R43-L47 WeakPolarHBondContact O-CG 3.21Å; R43-L47 PolarHBondContact O-N 2.87Å; L44-L47 PolarHBondContact O-N 3.47Å; L47-P50 WeakPolarHBondContact O-CD 3.3Å; L47-F51 WeakPolarHBondContact O-CE2 3.37Å
48	L	95.6	Very high	95.1	Very high	7 Å²	7	60.8 Å²	60.8	4%	0.037	34%	0.338	C	S	.	.	H	α-helix	trans	-86.8	-10.1	178.8	-66.8	172.1	0	0	0	113.6	M1 A20 V29 A30 L44 M45 S46 P50 F51 W56	M1-L48 HydrophobicContact SD-CD1 3.85Å; A20-L48 HydrophobicContact CB-CD1 3.79Å; A20-L48 HydrophobicContact CB-CD2 3.68Å; A20-L48 HydrophobicContact CB-CG 4.3Å; V29-L48 HydrophobicContact CB-CD2 4.42Å; V29-L48 HydrophobicContact CG1-CD2 4.08Å; A30-L48 HydrophobicContact CB-CD2 3.83Å; A30-L48 HydrophobicContact CB-CG 4.25Å; L44-L48 HydrophobicContact CD1-CD1 4.37Å; L44-L48 HydrophobicContact CG-CD1 4.02Å; L44-L48 WeakPolarHBondContact O-CG 3.35Å; L44-L48 PolarHBondContact O-N 2.83Å; M45-L48 CarbonylContact O-C 3.6Å; M45-L48 PolarHBondContact O-N 2.85Å; S46-L48 PolarHBondContact O-N 3.22Å; L48-P50 VanDerWaalsContact C-N 3.33Å; L48-F51 HydrophobicContact CD2-CD2 4.34Å; L48-F51 PolarHBondContact O-N 3.16Å; L48-W56 HydrophobicContact CB-CH2 4.15Å; L48-W56 HydrophobicContact CD1-CH2 3.9Å; L48-W56 HydrophobicContact CD1-CZ3 3.68Å
49	S	94.7	Very high	94.8	Very high	93 Å²	93	60 Å²	60	65%	0.65	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-31.1	-177.3	77.7	0	0	0	0	114.9	M45 S46 F51	M45-S49 PolarHBondContact O-N 2.88Å; M45-S49 VanDerWaalsContact O-N 3.07Å; S46-S49 WeakPolarHBondContact O-CB 3.35Å; S46-S49 PolarHBondContact O-N 3.11Å; S46-S49 PolarHBondContact O-OG 2.87Å; S49-F51 PolarHBondContact O-N 3.45Å
50	P	94.9	Very high	94.3	Very high	107 Å²	107	58 Å²	58	70%	0.695	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-8.5	176.1	-17.7	34.3	0	0	0	114.1	L47 L48	L47-P50 WeakPolarHBondContact O-CD 3.3Å; L48-P50 VanDerWaalsContact C-N 3.33Å
51	F	93.4	Very high	94	Very high	100 Å²	100	59.1 Å²	59.1	44%	0.439	32%	0.323	S	S	.	.	S	Bend	trans	-98	136.7	-177.7	-60.1	-91.6	0	0	0	110.6	V29 L47 L48 S49 V53	V29-F51 HydrophobicContact CG1-CD1 3.71Å; V29-F51 HydrophobicContact CG1-CD2 3.92Å; V29-F51 HydrophobicContact CG1-CE1 3.32Å; V29-F51 HydrophobicContact CG1-CE2 3.53Å; V29-F51 HydrophobicContact CG1-CG 4Å; V29-F51 HydrophobicContact CG1-CZ 3.21Å; L47-F51 WeakPolarHBondContact O-CE2 3.37Å; L48-F51 HydrophobicContact CD2-CD2 4.34Å; L48-F51 PolarHBondContact O-N 3.16Å; S49-F51 PolarHBondContact O-N 3.45Å; F51-V53 VanDerWaalsContact C-N 3.26Å; F51-V53 HydrophobicContact CB-CG2 3.91Å; F51-V53 PolarHBondContact O-N 3.05Å
52	D	92.1	Very high	93.8	Very high	154 Å²	154	63.2 Å²	63.2	82%	0.824	35%	0.349	S	S	*	.			trans	-78.1	75.3	173	-169.8	21.1	0	0	0	110.9	V54	D52-V54 PolarHBondContact O-N 3.48Å
53	V	93.4	Very high	93.6	Very high	50 Å²	50	62.3 Å²	62.3	30%	0.303	35%	0.346	S	S	.	.			trans	-80.7	98.7	-177.8	-173.6	0	0	0	0	110.4	F51 W56	F51-V53 VanDerWaalsContact C-N 3.26Å; F51-V53 HydrophobicContact CB-CG2 3.91Å; F51-V53 PolarHBondContact O-N 3.05Å; V53-W56 HydrophobicContact CB-CH2 4.19Å; V53-W56 HydrophobicContact CB-CZ2 3.54Å; V53-W56 HydrophobicContact CG1-CD2 3.84Å; V53-W56 VanDerWaalsContact CG1-CE2 3.44Å; V53-W56 HydrophobicContact CG1-CE3 4.34Å; V53-W56 HydrophobicContact CG1-CG 4.29Å; V53-W56 HydrophobicContact CG1-CH2 4.16Å; V53-W56 HydrophobicContact CG1-CZ2 3.63Å; V53-W56 HydrophobicContact CG1-CZ3 4.49Å; V53-W56 HydrophobicContact CG2-CH2 4.16Å; V53-W56 HydrophobicContact CG2-CZ2 3.98Å; V53-W56 PolarHBondContact O-NE1 2.9Å
54	V	93.2	Very high	93.4	Very high	101 Å²	101	55.8 Å²	55.8	61%	0.612	32%	0.322	S	S	*	.			trans	-69.2	-45	-179.9	-173.5	0	0	0	0	112.7	D52 L72	D52-V54 PolarHBondContact O-N 3.48Å; V54-L72 WeakPolarHBondContact O-CB 3.47Å
55	I	94	Very high	93.1	Very high	78 Å²	78	60.2 Å²	60.2	40%	0.4	34%	0.342	S	S	.	.			trans	-129	128.9	-174.9	-52.1	178.3	0	0	0	110.1	M57 L72 V74	I55-M57 HydrophobicContact CB-CE 4.32Å; I55-M57 HydrophobicContact CG2-CE 3.73Å; I55-M57 HydrophobicContact CG2-CG 4.03Å; I55-L72 HydrophobicContact CD1-CD2 4.29Å; I55-L72 HydrophobicContact CG1-CD2 3.72Å; I55-L72 HydrophobicContact CG1-CG 4.2Å; I55-L72 HydrophobicContact CG2-CG 4.44Å; I55-V74 HydrophobicContact CG2-CG2 3.97Å
56	W	94.6	Very high	92.9	Very high	15 Å²	15	63.1 Å²	63.1	6%	0.057	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.2	173.5	-59.2	77.2	0	0	0	109.1	M1 M45 L48 V53 L68 K71 L72 H73 V74	M1-W56 HydrophobicContact SD-CE3 3.5Å; M1-W56 HydrophobicContact SD-CZ3 3.35Å; M1-W56 WeakPolarHBondContact SD-CZ3 3.42Å; M45-W56 HydrophobicContact CE-CE3 4.39Å; M45-W56 HydrophobicContact CE-CH2 3.58Å; M45-W56 HydrophobicContact CE-CZ2 4.09Å; M45-W56 HydrophobicContact CE-CZ3 3.74Å; M45-W56 HydrophobicContact SD-CE3 4.37Å; M45-W56 HydrophobicContact SD-CH2 3.88Å; M45-W56 HydrophobicContact SD-CZ3 3.56Å; M45-W56 VanDerWaalsContact SD-CZ3 3.56Å; L48-W56 HydrophobicContact CB-CH2 4.15Å; L48-W56 HydrophobicContact CD1-CH2 3.9Å; L48-W56 HydrophobicContact CD1-CZ3 3.68Å; V53-W56 HydrophobicContact CB-CH2 4.19Å; V53-W56 HydrophobicContact CB-CZ2 3.54Å; V53-W56 HydrophobicContact CG1-CD2 3.84Å; V53-W56 VanDerWaalsContact CG1-CE2 3.44Å; V53-W56 HydrophobicContact CG1-CE3 4.34Å; V53-W56 HydrophobicContact CG1-CG 4.29Å; V53-W56 HydrophobicContact CG1-CH2 4.16Å; V53-W56 HydrophobicContact CG1-CZ2 3.63Å; V53-W56 HydrophobicContact CG1-CZ3 4.49Å; V53-W56 HydrophobicContact CG2-CH2 4.16Å; V53-W56 HydrophobicContact CG2-CZ2 3.98Å; V53-W56 PolarHBondContact O-NE1 2.9Å; W56-L68 HydrophobicContact CB-CD1 3.73Å; W56-L68 HydrophobicContact CB-CD2 4.22Å; W56-L68 HydrophobicContact CD2-CD1 4.48Å; W56-L68 HydrophobicContact CD2-CD2 3.53Å; W56-L68 HydrophobicContact CE3-CD1 4.42Å; W56-L68 HydrophobicContact CE3-CD2 3.62Å; W56-L68 HydrophobicContact CG-CD1 4.21Å; W56-L68 HydrophobicContact CG-CD2 3.77Å; W56-L68 HydrophobicContact CZ3-CD2 4.26Å; W56-K71 HydrophobicContact CD2-CD 4.4Å; W56-K71 HydrophobicContact CG-CD 4.49Å; W56-K71 HydrophobicContact CZ2-CD 4.12Å; W56-K71 VanDerWaalsContact CZ2-NZ 3.33Å; W56-K71 VanDerWaalsContact NE1-CD 3.34Å; W56-L72 PolarHBondContact N-O 3.06Å; W56-H73 HydrophobicContact CB-CB 4.47Å; W56-H73 CarbonylContact O-C 3.57Å; W56-H73 WeakPolarHBondContact O-CA 3.39Å; W56-H73 PolarHBondContact O-CD2 3.21Å; W56-V74 PolarHBondContact O-N 3.45Å
57	M	94.4	Very high	92.7	Very high	47 Å²	47	63.2 Å²	63.2	23%	0.232	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121	180	-60.9	174.8	179.5	0	0	109.4	M1 I55 V74 Y79	M1-M57 PolarHBondContact N-O 3.47Å; I55-M57 HydrophobicContact CB-CE 4.32Å; I55-M57 HydrophobicContact CG2-CE 3.73Å; I55-M57 HydrophobicContact CG2-CG 4.03Å; M57-V74 WeakPolarHBondContact CA-O 3.26Å; M57-V74 HydrophobicContact CG-CB 4.41Å; M57-Y79 VanDerWaalsContact SD-CB 3.54Å; M57-Y79 HydrophobicContact SD-CG 4.11Å
58	T	94.6	Very high	92.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	171	-178.3	75.7	0	0	0	0	112	M1 Y64 L68 H73 V74 S76	M1-T58 HydrophobicContact CB-CG2 4.23Å; T58-Y64 HydrophobicContact CG2-CD1 4.02Å; T58-Y64 HydrophobicContact CG2-CD2 3.87Å; T58-Y64 HydrophobicContact CG2-CE1 4.44Å; T58-Y64 HydrophobicContact CG2-CE2 4.31Å; T58-Y64 HydrophobicContact CG2-CG 3.73Å; T58-L68 HydrophobicContact CG2-CD1 4.15Å; T58-H73 PolarHBondContact OG1-NE2 3.25Å; T58-V74 PolarHBondContact N-O 3.18Å; T58-S76 PolarHBondContact O-N 2.93Å
59	D	87.3	Confident	92.3	Very high	58 Å²	58	67.7 Å²	67.7	31%	0.31	37%	0.368	S	S	.	.			trans	-85.8	-2.4	-176.4	73.9	-24.8	0	0	0	114.7	W61	D59-W61 PolarHBondContact OD1-N 3.39Å
60	G	87	Confident	92.2	Very high	22 Å²	22	67.4 Å²	67.4	23%	0.227	38%	0.38	C	S	.	.			trans	94.8	19.5	179	0	0	0	0	0	115	P62 I75	G60-P62 WeakPolarHBondContact O-CD 3.4Å; G60-I75 VanDerWaalsContact CA-CG2 3.5Å
61	W	90.4	Very high	92.1	Very high	32 Å²	32	66.3 Å²	66.3	12%	0.121	36%	0.364	C	S	.	.			trans	-61.8	126.5	168	-175	45.3	0	0	0	110.9	F18 R36 D59 L63 Y64	F18-W61 HydrophobicContact CE1-CE3 4.21Å; F18-W61 HydrophobicContact CE1-CH2 4.18Å; F18-W61 AromaticContact CE1-CZ3 3.5Å; F18-W61 HydrophobicContact CE1-CZ3 3.5Å; F18-W61 VanDerWaalsContact CE1-CZ3 3.5Å; F18-W61 HydrophobicContact CZ-CH2 4.02Å; F18-W61 AromaticContact CZ-CZ3 3.83Å; F18-W61 HydrophobicContact CZ-CZ3 3.83Å; R36-W61 HydrophobicContact CG-CH2 3.48Å; R36-W61 VanDerWaalsContact CG-CH2 3.48Å; R36-W61 HydrophobicContact CG-CZ2 3.32Å; R36-W61 HydrophobicContact CG-CZ3 4.34Å; D59-W61 PolarHBondContact OD1-N 3.39Å; W61-L63 HydrophobicContact CD2-CB 4.22Å; W61-L63 HydrophobicContact CE3-CB 4.01Å; W61-L63 HydrophobicContact CH2-CB 4.05Å; W61-L63 HydrophobicContact CH2-CD1 3.22Å; W61-L63 HydrophobicContact CH2-CG 3.99Å; W61-L63 HydrophobicContact CZ2-CB 4.2Å; W61-L63 HydrophobicContact CZ2-CD1 3.34Å; W61-L63 HydrophobicContact CZ2-CG 3.85Å; W61-L63 HydrophobicContact CZ3-CB 3.91Å; W61-L63 HydrophobicContact CZ3-CD1 3.92Å; W61-L63 HydrophobicContact CZ3-CG 4.37Å; W61-L63 PolarHBondContact O-N 3.02Å; W61-Y64 HydrophobicContact CB-CD2 3.63Å; W61-Y64 HydrophobicContact CB-CE2 3.8Å; W61-Y64 HydrophobicContact CE3-CD2 4.26Å; W61-Y64 HydrophobicContact CE3-CE1 4.46Å; W61-Y64 AromaticContact CE3-CE2 3.94Å; W61-Y64 HydrophobicContact CE3-CE2 3.94Å; W61-Y64 WeakPolarHBondContact O-CB 3.33Å; W61-Y64 PolarHBondContact O-N 2.98Å
62	P	92	Very high	92.2	Very high	87 Å²	87	66.5 Å²	66.5	57%	0.565	37%	0.369	S	S	*	.	H	α-helix	trans	-56.9	-27.5	-168.1	-32.3	37.5	0	0	0	116.3	G60 Y64 E65 S66	G60-P62 WeakPolarHBondContact O-CD 3.4Å; P62-Y64 VanDerWaalsContact C-N 3.28Å; P62-Y64 PolarHBondContact O-N 2.89Å; P62-E65 WeakPolarHBondContact O-CB 3.45Å; P62-E65 PolarHBondContact O-N 2.87Å; P62-S66 PolarHBondContact O-N 3.3Å
63	L	92	Very high	92.3	Very high	46 Å²	46	61.2 Å²	61.2	24%	0.241	34%	0.339	C	S	.	.	H	α-helix	trans	-67.2	-29.2	176.3	-70	-173.2	0	0	0	112.7	L38 L41 W61 S66 R67	L38-L63 HydrophobicContact CB-CD1 4.13Å; L38-L63 HydrophobicContact CB-CD2 4.49Å; L41-L63 HydrophobicContact CD2-CB 4.13Å; W61-L63 HydrophobicContact CD2-CB 4.22Å; W61-L63 HydrophobicContact CE3-CB 4.01Å; W61-L63 HydrophobicContact CH2-CB 4.05Å; W61-L63 HydrophobicContact CH2-CD1 3.22Å; W61-L63 HydrophobicContact CH2-CG 3.99Å; W61-L63 HydrophobicContact CZ2-CB 4.2Å; W61-L63 HydrophobicContact CZ2-CD1 3.34Å; W61-L63 HydrophobicContact CZ2-CG 3.85Å; W61-L63 HydrophobicContact CZ3-CB 3.91Å; W61-L63 HydrophobicContact CZ3-CD1 3.92Å; W61-L63 HydrophobicContact CZ3-CG 4.37Å; W61-L63 PolarHBondContact O-N 3.02Å; L63-S66 WeakPolarHBondContact CA-OG 3.42Å; L63-S66 PolarHBondContact O-OG 3.36Å; L63-S66 VanDerWaalsContact O-OG 3.05Å; L63-R67 WeakPolarHBondContact O-CB 3.42Å; L63-R67 PolarHBondContact O-N 3.27Å
64	Y	93	Very high	92.3	Very high	1 Å²	1	61.1 Å²	61.1	0%	0.004	34%	0.339	C	S	.	.	H	α-helix	trans	-64.1	-45	171.2	-66.2	-50.3	0	0	0	110.5	M1 E3 L41 T58 W61 P62 R67 L68	M1-Y64 HydrophobicContact CB-CE1 4.5Å; M1-Y64 HydrophobicContact CE-CD1 3.89Å; M1-Y64 HydrophobicContact CE-CE1 3.42Å; M1-Y64 VanDerWaalsContact CE-CE1 3.42Å; E3-Y64 VanDerWaalsContact OE2-CE2 3.24Å; E3-Y64 WeakPolarHBondContact OE2-CE2 3.36Å; E3-Y64 VanDerWaalsContact OE2-CZ 3.29Å; E3-Y64 PolarHBondContact OE2-OH 2.61Å; L41-Y64 HydrophobicContact CD1-CD1 3.93Å; L41-Y64 HydrophobicContact CD1-CE1 3.58Å; L41-Y64 HydrophobicContact CD2-CD1 3.96Å; L41-Y64 HydrophobicContact CD2-CE1 4.27Å; T58-Y64 HydrophobicContact CG2-CD1 4.02Å; T58-Y64 HydrophobicContact CG2-CD2 3.87Å; T58-Y64 HydrophobicContact CG2-CE1 4.44Å; T58-Y64 HydrophobicContact CG2-CE2 4.31Å; T58-Y64 HydrophobicContact CG2-CG 3.73Å; W61-Y64 HydrophobicContact CB-CD2 3.63Å; W61-Y64 HydrophobicContact CB-CE2 3.8Å; W61-Y64 HydrophobicContact CE3-CD2 4.26Å; W61-Y64 HydrophobicContact CE3-CE1 4.46Å; W61-Y64 AromaticContact CE3-CE2 3.94Å; W61-Y64 HydrophobicContact CE3-CE2 3.94Å; W61-Y64 WeakPolarHBondContact O-CB 3.33Å; W61-Y64 PolarHBondContact O-N 2.98Å; P62-Y64 VanDerWaalsContact C-N 3.28Å; P62-Y64 PolarHBondContact O-N 2.89Å; Y64-R67 PolarHBondContact O-N 2.93Å; Y64-L68 WeakPolarHBondContact O-CB 3.41Å; Y64-L68 WeakPolarHBondContact O-CG 3.25Å; Y64-L68 PolarHBondContact O-N 3.5Å
65	E	90.2	Very high	92.3	Very high	92 Å²	92	60.2 Å²	60.2	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-61.4	-48.4	-179.3	-56.1	-174.1	-146.5	0	0	111.5	P62 R67 K69 I75	P62-E65 WeakPolarHBondContact O-CB 3.45Å; P62-E65 PolarHBondContact O-N 2.87Å; E65-R67 VanDerWaalsContact C-N 3.28Å; E65-R67 PolarHBondContact O-N 3.37Å; E65-K69 PolarHBondContact O-N 3.41Å; E65-I75 HydrophobicContact CG-CD1 3.67Å
66	S	90.8	Very high	92	Very high	72 Å²	72	58.2 Å²	58.2	50%	0.503	32%	0.322	S	S	.	.	H	α-helix	trans	-61.8	-39.4	177.8	62	0	0	0	0	111.8	P62 L63	P62-S66 PolarHBondContact O-N 3.3Å; L63-S66 WeakPolarHBondContact CA-OG 3.42Å; L63-S66 PolarHBondContact O-OG 3.36Å; L63-S66 VanDerWaalsContact O-OG 3.05Å
67	R	92.8	Very high	91.6	Very high	79 Å²	79	64.7 Å²	64.7	30%	0.298	35%	0.351	S	S	.	.	H	α-helix	trans	-81.5	-30.4	-173.5	-178.4	51.4	179.4	102.7	-10.5	114.1	L41 E42 M45 L63 Y64 E65 K69	L41-R67 HydrophobicContact CD2-CB 4.04Å; L41-R67 HydrophobicContact CD2-CG 4.22Å; E42-R67 WeakPolarHBondContact OE1-CD 3.48Å; E42-R67 IonicContact OE1-CZ 3.43Å; E42-R67 IonicContact OE1-NE 3.35Å; E42-R67 PolarHBondContact OE1-NE 3.5Å; E42-R67 IonicContact OE2-CZ 2.73Å; E42-R67 IonicContact OE2-NE 3.24Å; E42-R67 PolarHBondContact OE2-NE 2.95Å; E42-R67 IonicContact OE2-NH2 2.77Å; E42-R67 PolarHBondContact OE2-NH2 3.06Å; M45-R67 HydrophobicContact CE-CG 4.46Å; M45-R67 HydrophobicContact CG-CG 4.28Å; L63-R67 WeakPolarHBondContact O-CB 3.42Å; L63-R67 PolarHBondContact O-N 3.27Å; Y64-R67 PolarHBondContact O-N 2.93Å; E65-R67 VanDerWaalsContact C-N 3.28Å; E65-R67 PolarHBondContact O-N 3.37Å; R67-K69 VanDerWaalsContact C-N 3.35Å
68	L	93.1	Very high	91.3	Very high	2 Å²	2	70.9 Å²	70.9	1%	0.01	37%	0.372	C	S	.	.	S	Bend	trans	-95.7	7.7	-178.6	-60.1	173.1	0	0	0	112.3	M45 W56 T58 Y64 G70 K71 H73	M45-L68 HydrophobicContact CE-CD2 3.69Å; M45-L68 HydrophobicContact SD-CD2 4.36Å; W56-L68 HydrophobicContact CB-CD1 3.73Å; W56-L68 HydrophobicContact CB-CD2 4.22Å; W56-L68 HydrophobicContact CD2-CD1 4.48Å; W56-L68 HydrophobicContact CD2-CD2 3.53Å; W56-L68 HydrophobicContact CE3-CD1 4.42Å; W56-L68 HydrophobicContact CE3-CD2 3.62Å; W56-L68 HydrophobicContact CG-CD1 4.21Å; W56-L68 HydrophobicContact CG-CD2 3.77Å; W56-L68 HydrophobicContact CZ3-CD2 4.26Å; T58-L68 HydrophobicContact CG2-CD1 4.15Å; Y64-L68 WeakPolarHBondContact O-CB 3.41Å; Y64-L68 WeakPolarHBondContact O-CG 3.25Å; Y64-L68 PolarHBondContact O-N 3.5Å; L68-G70 PolarHBondContact O-N 3.34Å; L68-K71 HydrophobicContact CD2-CD 3.92Å; L68-K71 WeakPolarHBondContact O-CB 3.35Å; L68-K71 PolarHBondContact O-N 3.49Å; L68-H73 HydrophobicContact CB-CB 4.05Å; L68-H73 HydrophobicContact CD1-CB 4.44Å
69	K	90.6	Very high	90.8	Very high	186 Å²	186	75.3 Å²	75.3	81%	0.809	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	125.3	171.4	-170.7	175.5	-178.3	179.1	0	110.4	E65 R67 K71	E65-K69 PolarHBondContact O-N 3.41Å; R67-K69 VanDerWaalsContact C-N 3.35Å; K69-K71 VanDerWaalsContact C-N 3.34Å
70	G	92.1	Very high	90.8	Very high	87 Å²	87	72.6 Å²	72.6	90%	0.897	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-6	-176.8	0	0	0	0	0	115.3	L68	L68-G70 PolarHBondContact O-N 3.34Å
71	K	93.3	Very high	90.9	Very high	84 Å²	84	77.5 Å²	77.5	37%	0.365	39%	0.392	S	S	.	.	S	Bend	trans	-95.3	159.4	169.5	-52.9	-160.9	-176.6	-166.7	0	110.4	W56 L68 K69 H73	W56-K71 HydrophobicContact CD2-CD 4.4Å; W56-K71 HydrophobicContact CG-CD 4.49Å; W56-K71 HydrophobicContact CZ2-CD 4.12Å; W56-K71 VanDerWaalsContact CZ2-NZ 3.33Å; W56-K71 VanDerWaalsContact NE1-CD 3.34Å; L68-K71 HydrophobicContact CD2-CD 3.92Å; L68-K71 WeakPolarHBondContact O-CB 3.35Å; L68-K71 PolarHBondContact O-N 3.49Å; K69-K71 VanDerWaalsContact C-N 3.34Å; K71-H73 PolarHBondContact O-N 3.31Å
72	L	94.8	Very high	90.9	Very high	104 Å²	104	80.9 Å²	80.9	55%	0.545	41%	0.405	S	S	.	.			trans	-71.4	92.9	171.1	-177.6	55.9	0	0	0	109.4	V54 I55 W56	V54-L72 WeakPolarHBondContact O-CB 3.47Å; I55-L72 HydrophobicContact CD1-CD2 4.29Å; I55-L72 HydrophobicContact CG1-CD2 3.72Å; I55-L72 HydrophobicContact CG1-CG 4.2Å; I55-L72 HydrophobicContact CG2-CG 4.44Å; W56-L72 PolarHBondContact N-O 3.06Å
73	H	94.6	Very high	90.8	Very high	43 Å²	43	77.1 Å²	77.1	20%	0.199	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.3	-174.4	179.4	-153.8	0	0	0	111	W56 T58 L68 K71 I75	W56-H73 HydrophobicContact CB-CB 4.47Å; W56-H73 CarbonylContact O-C 3.57Å; W56-H73 WeakPolarHBondContact O-CA 3.39Å; W56-H73 PolarHBondContact O-CD2 3.21Å; T58-H73 PolarHBondContact OG1-NE2 3.25Å; L68-H73 HydrophobicContact CB-CB 4.05Å; L68-H73 HydrophobicContact CD1-CB 4.44Å; K71-H73 PolarHBondContact O-N 3.31Å; H73-I75 VanDerWaalsContact CE1-CG1 3.48Å; H73-I75 WeakPolarHBondContact CE1-CG1 3.34Å
74	V	93.8	Very high	90.8	Very high	47 Å²	47	78.4 Å²	78.4	29%	0.285	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	112.9	176.5	-179	0	0	0	0	109	I55 W56 M57 T58 Y79	I55-V74 HydrophobicContact CG2-CG2 3.97Å; W56-V74 PolarHBondContact O-N 3.45Å; M57-V74 WeakPolarHBondContact CA-O 3.26Å; M57-V74 HydrophobicContact CG-CB 4.41Å; T58-V74 PolarHBondContact N-O 3.18Å; V74-Y79 HydrophobicContact CG1-CD2 3.86Å; V74-Y79 HydrophobicContact CG1-CE2 4.01Å
75	I	92.7	Very high	90.7	Very high	82 Å²	82	85.2 Å²	85.2	42%	0.421	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	107.6	171.3	-58	168.5	0	0	0	107.5	G60 E65 H73	G60-I75 VanDerWaalsContact CA-CG2 3.5Å; E65-I75 HydrophobicContact CG-CD1 3.67Å; H73-I75 VanDerWaalsContact CE1-CG1 3.48Å; H73-I75 WeakPolarHBondContact CE1-CG1 3.34Å
76	S	88	Confident	90.8	Very high	36 Å²	36	82.1 Å²	82.1	25%	0.252	40%	0.396	S	S	.	.			trans	-166	133.6	178.2	-171.5	0	0	0	0	112.8	T58 R78 Y79	T58-S76 PolarHBondContact O-N 2.93Å; S76-R78 PolarHBondContact O-N 3.01Å; S76-R78 WeakPolarHBondContact OG-CB 3.24Å; S76-R78 PolarHBondContact OG-N 2.88Å; S76-R78 VanDerWaalsContact OG-N 3.16Å; S76-Y79 PolarHBondContact O-N 3.07Å
77	K	85.8	Confident	90.8	Very high	152 Å²	152	79 Å²	79	66%	0.661	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-65.5	-24.2	169.5	-66.3	-173.3	177.7	-179.4	0	113.5	Y79 T80 Q81	K77-Y79 PolarHBondContact O-N 3.19Å; K77-T80 VanDerWaalsContact CA-OG1 3.24Å; K77-T80 WeakPolarHBondContact CA-OG1 3.47Å; K77-T80 PolarHBondContact O-N 3.23Å; K77-T80 PolarHBondContact O-OG1 2.77Å; K77-T80 VanDerWaalsContact O-OG1 3.11Å; K77-Q81 WeakPolarHBondContact O-CG 3.48Å
78	R	87.9	Confident	90.7	Very high	176 Å²	176	77.8 Å²	77.8	66%	0.664	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-59.4	-35.2	179.7	-173.6	177.5	-179.4	179.1	-0.5	111.5	S76	S76-R78 PolarHBondContact O-N 3.01Å; S76-R78 WeakPolarHBondContact OG-CB 3.24Å; S76-R78 PolarHBondContact OG-N 2.88Å; S76-R78 VanDerWaalsContact OG-N 3.16Å
79	Y	85.2	Confident	90.7	Very high	94 Å²	94	79.8 Å²	79.8	37%	0.369	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-103.2	8.9	-177.8	-50.8	-66.5	0	0	0	113.7	R23 M57 V74 S76 K77	R23-Y79 VanDerWaalsContact NH2-CA 3.27Å; R23-Y79 PolarHBondContact NH2-O 3.42Å; M57-Y79 VanDerWaalsContact SD-CB 3.54Å; M57-Y79 HydrophobicContact SD-CG 4.11Å; V74-Y79 HydrophobicContact CG1-CD2 3.86Å; V74-Y79 HydrophobicContact CG1-CE2 4.01Å; S76-Y79 PolarHBondContact O-N 3.07Å; K77-Y79 PolarHBondContact O-N 3.19Å
80	T	87.1	Confident	90.7	Very high	1 Å²	1	71.2 Å²	71.2	1%	0.006	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-6.3	174.8	54.4	0	0	0	0	113.3	K77 R82 I83 E84	K77-T80 VanDerWaalsContact CA-OG1 3.24Å; K77-T80 WeakPolarHBondContact CA-OG1 3.47Å; K77-T80 PolarHBondContact O-N 3.23Å; K77-T80 PolarHBondContact O-OG1 2.77Å; K77-T80 VanDerWaalsContact O-OG1 3.11Å; T80-R82 PolarHBondContact O-N 3.36Å; T80-I83 HydrophobicContact CG2-CG2 4.34Å; T80-I83 WeakPolarHBondContact O-CG2 3.11Å; T80-I83 PolarHBondContact O-N 2.59Å; T80-E84 WeakPolarHBondContact CB-OE1 2.97Å; T80-E84 WeakPolarHBondContact O-CG 3.32Å; T80-E84 PolarHBondContact O-N 3.24Å; T80-E84 PolarHBondContact OG1-OE1 3.25Å
81	Q	89.2	Confident	90.5	Very high	124 Å²	124	71.8 Å²	71.8	58%	0.579	32%	0.321	S	S	*	.	H	α-helix	trans	-48.6	-39.9	-177.7	-60.9	176.8	-6.8	0	0	115	K77 R85	K77-Q81 WeakPolarHBondContact O-CG 3.48Å; Q81-R85 WeakPolarHBondContact O-CB 3.36Å; Q81-R85 PolarHBondContact O-N 3.25Å
82	R	89.9	Confident	90.3	Very high	104 Å²	104	73.7 Å²	73.7	39%	0.392	33%	0.331	S	S	.	.	H	α-helix	trans	-68.8	-50	178.4	-75.4	-176.1	176.6	-110.4	-2.6	111.4	Y21 T80 E84 R85 H86	Y21-R82 HydrophobicContact CE1-CB 4.22Å; T80-R82 PolarHBondContact O-N 3.36Å; R82-E84 VanDerWaalsContact C-N 3.28Å; R82-E84 PolarHBondContact O-N 3.05Å; R82-R85 WeakPolarHBondContact O-CA 3.23Å; R82-R85 WeakPolarHBondContact O-CB 3.43Å; R82-R85 PolarHBondContact O-N 2.77Å; R82-R85 VanDerWaalsContact O-N 3.11Å; R82-H86 PolarHBondContact O-CD2 3.05Å; R82-H86 PolarHBondContact O-N 2.89Å
83	I	90.7	Very high	90	Very high	8 Å²	8	74 Å²	74	4%	0.041	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-36.4	179.8	-167.3	164.6	0	0	0	111	D2 Y19 T80 R85 H86 N87	D2-I83 HydrophobicContact CB-CB 4.42Å; D2-I83 HydrophobicContact CB-CD1 3.42Å; D2-I83 VanDerWaalsContact CB-CD1 3.42Å; D2-I83 HydrophobicContact CB-CG1 3.65Å; D2-I83 HydrophobicContact CB-CG2 3.92Å; Y19-I83 HydrophobicContact CD2-CD1 3.97Å; Y19-I83 HydrophobicContact CD2-CG1 4.39Å; Y19-I83 HydrophobicContact CE1-CD1 4.31Å; Y19-I83 HydrophobicContact CE1-CG1 4.27Å; Y19-I83 HydrophobicContact CE2-CD1 3.49Å; Y19-I83 VanDerWaalsContact CE2-CD1 3.49Å; Y19-I83 HydrophobicContact CE2-CG1 3.43Å; Y19-I83 VanDerWaalsContact CE2-CG1 3.43Å; Y19-I83 WeakPolarHBondContact OH-CG1 3.47Å; Y19-I83 PolarHBondContact OH-O 2.82Å; Y19-I83 VanDerWaalsContact OH-O 3.07Å; T80-I83 HydrophobicContact CG2-CG2 4.34Å; T80-I83 WeakPolarHBondContact O-CG2 3.11Å; T80-I83 PolarHBondContact O-N 2.59Å; I83-R85 PolarHBondContact O-N 2.91Å; I83-H86 WeakPolarHBondContact O-CA 3.44Å; I83-H86 WeakPolarHBondContact O-CB 3.41Å; I83-H86 PolarHBondContact O-N 2.89Å; I83-H86 VanDerWaalsContact O-N 3.12Å; I83-N87 PolarHBondContact O-N 2.91Å
84	E	90.9	Very high	89.8	Confident	73 Å²	73	73 Å²	73	34%	0.341	33%	0.325	S	S	.	.	H	α-helix	trans	-61.8	-41.8	171.4	-70.9	170.6	-164	0	0	112.2	T80 R82 H86 N87 L88	T80-E84 WeakPolarHBondContact CB-OE1 2.97Å; T80-E84 WeakPolarHBondContact O-CG 3.32Å; T80-E84 PolarHBondContact O-N 3.24Å; T80-E84 PolarHBondContact OG1-OE1 3.25Å; R82-E84 VanDerWaalsContact C-N 3.28Å; R82-E84 PolarHBondContact O-N 3.05Å; E84-H86 VanDerWaalsContact C-N 3.32Å; E84-N87 WeakPolarHBondContact O-CB 3.25Å; E84-N87 PolarHBondContact O-N 2.9Å; E84-L88 PolarHBondContact O-N 3.07Å
85	R	92.2	Very high	89.3	Confident	143 Å²	143	73.6 Å²	73.6	54%	0.54	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-40	172.6	178.4	59.6	61.7	174.5	1.6	111.4	Q81 R82 I83 L88 N89	Q81-R85 WeakPolarHBondContact O-CB 3.36Å; Q81-R85 PolarHBondContact O-N 3.25Å; R82-R85 WeakPolarHBondContact O-CA 3.23Å; R82-R85 WeakPolarHBondContact O-CB 3.43Å; R82-R85 PolarHBondContact O-N 2.77Å; R82-R85 VanDerWaalsContact O-N 3.11Å; I83-R85 PolarHBondContact O-N 2.91Å; R85-L88 PolarHBondContact O-N 3.19Å; R85-N89 VanDerWaalsContact O-CG 3.24Å; R85-N89 PolarHBondContact O-N 3.33Å; R85-N89 PolarHBondContact O-OD1 3.14Å
86	H	90.8	Very high	88.9	Confident	28 Å²	28	71.9 Å²	71.9	13%	0.13	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-46	174.9	-73	-71.1	0	0	0	111.4	Y21 R82 I83 E84 L88 N89 L90 H123	Y21-H86 AromaticContact CE2-CD2 3.87Å; Y21-H86 AromaticContact CE2-NE2 3.4Å; Y21-H86 WeakPolarHBondContact CE2-NE2 3.21Å; Y21-H86 AromaticContact CZ-NE2 3.55Å; R82-H86 PolarHBondContact O-CD2 3.05Å; R82-H86 PolarHBondContact O-N 2.89Å; I83-H86 WeakPolarHBondContact O-CA 3.44Å; I83-H86 WeakPolarHBondContact O-CB 3.41Å; I83-H86 PolarHBondContact O-N 2.89Å; I83-H86 VanDerWaalsContact O-N 3.12Å; E84-H86 VanDerWaalsContact C-N 3.32Å; H86-L88 VanDerWaalsContact C-N 3.31Å; H86-L88 PolarHBondContact O-N 2.89Å; H86-N89 PolarHBondContact O-N 3.05Å; H86-L90 VanDerWaalsContact O-CB 3.29Å; H86-L90 WeakPolarHBondContact O-CB 3.35Å; H86-L90 PolarHBondContact O-N 2.7Å; H86-H123 AromaticContact CE1-CE1 3.32Å; H86-H123 PolarHBondContact CE1-CE1 2.89Å; H86-H123 AromaticContact CE1-ND1 3.51Å; H86-H123 AromaticContact ND1-CE1 2.9Å; H86-H123 PolarHBondContact ND1-CE1 3.47Å; H86-H123 AromaticContact ND1-ND1 3.47Å; H86-H123 PolarHBondContact ND1-ND1 2.91Å; H86-H123 AromaticContact ND1-NE2 3.39Å; H86-H123 PolarHBondContact ND1-NE2 3.19Å
87	N	91.4	Very high	88.6	Confident	6 Å²	6	70.9 Å²	70.9	3%	0.032	32%	0.316	C	S	.	.	H	α-helix	trans	-57.7	-42.6	173.5	-83.8	-27.1	0	0	0	112.2	D2 Q4 Y19 I83 E84 L90 R91	D2-N87 PolarHBondContact OD2-ND2 3.16Å; Q4-N87 WeakPolarHBondContact CB-OD1 3.39Å; Q4-N87 PolarHBondContact OE1-O 2.83Å; Q4-N87 VanDerWaalsContact OE1-O 3.05Å; Q4-N87 PolarHBondContact OE1-OD1 3.4Å; Y19-N87 VanDerWaalsContact CE1-OD1 3.26Å; Y19-N87 WeakPolarHBondContact CE1-OD1 3.49Å; Y19-N87 PolarHBondContact OH-ND2 2.81Å; Y19-N87 PolarHBondContact OH-OD1 3.44Å; I83-N87 PolarHBondContact O-N 2.91Å; E84-N87 WeakPolarHBondContact O-CB 3.25Å; E84-N87 PolarHBondContact O-N 2.9Å; N87-L90 PolarHBondContact O-N 3.36Å; N87-R91 PolarHBondContact O-N 3.14Å; N87-R91 VanDerWaalsContact O-N 3.11Å
88	L	91.7	Very high	88	Confident	53 Å²	53	65.9 Å²	65.9	28%	0.277	31%	0.307	S	S	.	.	H	α-helix	trans	-63.2	-48	175	-179.4	60.5	0	0	0	112.4	E84 R85 H86 L90 R91 Q92	E84-L88 PolarHBondContact O-N 3.07Å; R85-L88 PolarHBondContact O-N 3.19Å; H86-L88 VanDerWaalsContact C-N 3.31Å; H86-L88 PolarHBondContact O-N 2.89Å; L88-L90 VanDerWaalsContact C-N 3.29Å; L88-L90 PolarHBondContact O-N 3.2Å; L88-R91 WeakPolarHBondContact O-CB 3.23Å; L88-R91 PolarHBondContact O-N 3.06Å; L88-Q92 HydrophobicContact CD1-CG 4.41Å; L88-Q92 WeakPolarHBondContact O-CG 3.48Å; L88-Q92 PolarHBondContact O-N 3.18Å
89	N	91.8	Very high	87.3	Confident	45 Å²	45	67.1 Å²	67.1	24%	0.241	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-40.9	178.8	-68.7	-5.6	0	0	0	111.2	R85 H86 R91 Q92 H93	R85-N89 VanDerWaalsContact O-CG 3.24Å; R85-N89 PolarHBondContact O-N 3.33Å; R85-N89 PolarHBondContact O-OD1 3.14Å; H86-N89 PolarHBondContact O-N 3.05Å; N89-R91 VanDerWaalsContact C-N 3.35Å; N89-R91 PolarHBondContact O-N 3.36Å; N89-Q92 PolarHBondContact O-N 3.02Å; N89-Q92 VanDerWaalsContact O-N 3.16Å; N89-H93 WeakPolarHBondContact O-CB 3.47Å; N89-H93 PolarHBondContact O-N 3.39Å; N89-H93 PolarHBondContact O-ND1 3.4Å
90	L	90.2	Very high	86.9	Confident	5 Å²	5	68.7 Å²	68.7	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-43.9	176.6	-172.6	122.6	0	0	0	111.2	L17 H86 N87 L88 L94 L97 I115 Y118 L119	L17-L90 HydrophobicContact CD2-CD1 4.31Å; L17-L90 HydrophobicContact CD2-CD2 4.34Å; H86-L90 VanDerWaalsContact O-CB 3.29Å; H86-L90 WeakPolarHBondContact O-CB 3.35Å; H86-L90 PolarHBondContact O-N 2.7Å; N87-L90 PolarHBondContact O-N 3.36Å; L88-L90 VanDerWaalsContact C-N 3.29Å; L88-L90 PolarHBondContact O-N 3.2Å; L90-L94 HydrophobicContact CG-CD1 4.31Å; L90-L94 VanDerWaalsContact O-CB 3.3Å; L90-L94 WeakPolarHBondContact O-CB 3.49Å; L90-L94 PolarHBondContact O-N 2.8Å; L90-L97 HydrophobicContact CD2-CD1 3.18Å; L90-L97 HydrophobicContact CG-CD1 3.87Å; L90-I115 HydrophobicContact CD1-CG2 4.19Å; L90-Y118 HydrophobicContact CB-CE1 4.34Å; L90-Y118 HydrophobicContact CD1-CD1 3.68Å; L90-Y118 HydrophobicContact CD1-CE1 3.83Å; L90-Y118 HydrophobicContact CG-CD1 4.42Å; L90-Y118 HydrophobicContact CG-CE1 4.36Å; L90-L119 HydrophobicContact CD1-CD2 3.84Å
91	R	89.6	Confident	86.5	Confident	100 Å²	100	71.5 Å²	71.5	38%	0.377	34%	0.34	S	S	.	.	H	α-helix	trans	-62.8	-40.4	172.7	-71.6	-174.8	-75	-91.2	4.4	113.5	N87 L88 N89	N87-R91 PolarHBondContact O-N 3.14Å; N87-R91 VanDerWaalsContact O-N 3.11Å; L88-R91 WeakPolarHBondContact O-CB 3.23Å; L88-R91 PolarHBondContact O-N 3.06Å; N89-R91 VanDerWaalsContact C-N 3.35Å; N89-R91 PolarHBondContact O-N 3.36Å
92	Q	88.2	Confident	86	Confident	124 Å²	124	74.6 Å²	74.6	58%	0.579	36%	0.36	S	S	*	.	H	α-helix	trans	-70.4	-42.3	-177.3	-74.3	178	-24.4	0	0	111.4	L88 N89	L88-Q92 HydrophobicContact CD1-CG 4.41Å; L88-Q92 WeakPolarHBondContact O-CG 3.48Å; L88-Q92 PolarHBondContact O-N 3.18Å; N89-Q92 PolarHBondContact O-N 3.02Å; N89-Q92 VanDerWaalsContact O-N 3.16Å
93	H	89.4	Confident	85.5	Confident	111 Å²	111	71.7 Å²	71.7	51%	0.514	36%	0.356	S	S	.	.	H	α-helix	trans	-78.2	-34.3	-178.6	-61.2	162.2	0	0	0	112.7	N89 Y118	N89-H93 WeakPolarHBondContact O-CB 3.47Å; N89-H93 PolarHBondContact O-N 3.39Å; N89-H93 PolarHBondContact O-ND1 3.4Å; H93-Y118 HydrophobicContact CB-CD2 4.45Å; H93-Y118 HydrophobicContact CB-CE2 3.63Å; H93-Y118 PolarHBondContact CE1-OH 3.46Å; H93-Y118 AromaticContact CG-CE2 3.94Å; H93-Y118 AromaticContact ND1-CE2 3.43Å; H93-Y118 WeakPolarHBondContact ND1-CE2 3.44Å; H93-Y118 AromaticContact ND1-CZ 3.46Å; H93-Y118 PolarHBondContact ND1-OH 3.02Å
94	L	88.6	Confident	85	Confident	20 Å²	20	72.6 Å²	72.6	11%	0.105	36%	0.359	C	S	.	.			trans	-104	85.7	-178.9	-58.4	-177.5	0	0	0	110.3	L90 R96 L97 V114 I115 Y118	L90-L94 HydrophobicContact CG-CD1 4.31Å; L90-L94 VanDerWaalsContact O-CB 3.3Å; L90-L94 WeakPolarHBondContact O-CB 3.49Å; L90-L94 PolarHBondContact O-N 2.8Å; L94-R96 HydrophobicContact CB-CG 4.17Å; L94-R96 PolarHBondContact O-N 3.34Å; L94-L97 HydrophobicContact CB-CD1 3.95Å; L94-L97 HydrophobicContact CB-CG 4.19Å; L94-L97 HydrophobicContact CD1-CD1 4.17Å; L94-L97 WeakPolarHBondContact O-CB 3.16Å; L94-L97 PolarHBondContact O-N 2.99Å; L94-V114 HydrophobicContact CD2-CG1 4.11Å; L94-I115 HydrophobicContact CD1-CG1 3.97Å; L94-Y118 HydrophobicContact CD1-CD2 4.42Å; L94-Y118 HydrophobicContact CD1-CG 4.06Å; L94-Y118 HydrophobicContact CD2-CD2 4.07Å; L94-Y118 HydrophobicContact CD2-CG 4.43Å; L94-Y118 HydrophobicContact CG-CD2 4.19Å; L94-Y118 HydrophobicContact CG-CG 4.33Å
95	A	83.6	Confident	84.6	Confident	61 Å²	61	69.2 Å²	69.2	50%	0.504	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-50.1	-27.9	178.7	0	0	0	0	0	114	L97 G98	A95-L97 PolarHBondContact O-N 3.25Å; A95-G98 PolarHBondContact O-N 2.86Å
96	R	84.5	Confident	84.3	Confident	46 Å²	46	71.2 Å²	71.2	17%	0.174	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-60.2	-20	175.2	70.8	-177.7	63.5	-125.4	4.2	115.2	L94 S103 S105	L94-R96 HydrophobicContact CB-CG 4.17Å; L94-R96 PolarHBondContact O-N 3.34Å; R96-S103 VanDerWaalsContact CB-O 3.23Å; R96-S103 WeakPolarHBondContact CB-O 3.18Å; R96-S103 PolarHBondContact NH1-O 2.85Å; R96-S105 PolarHBondContact NH1-OG 3.48Å; R96-S105 VanDerWaalsContact NH1-OG 3.13Å
97	L	81.3	Confident	84.2	Confident	15 Å²	15	72.4 Å²	72.4	8%	0.079	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-87.3	-26.6	179.4	-69.7	175.5	0	0	0	113.1	L90 L94 A95 I115	L90-L97 HydrophobicContact CD2-CD1 3.18Å; L90-L97 HydrophobicContact CG-CD1 3.87Å; L94-L97 HydrophobicContact CB-CD1 3.95Å; L94-L97 HydrophobicContact CB-CG 4.19Å; L94-L97 HydrophobicContact CD1-CD1 4.17Å; L94-L97 WeakPolarHBondContact O-CB 3.16Å; L94-L97 PolarHBondContact O-N 2.99Å; A95-L97 PolarHBondContact O-N 3.25Å; L97-I115 HydrophobicContact CD2-CD1 3.8Å
98	G	74.5	Confident	84.2	Confident	47 Å²	47	74.3 Å²	74.3	49%	0.485	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-46.4	-170.9	0	0	0	0	0	114.3	A95	A95-G98 PolarHBondContact O-N 2.86Å
99	R	72.8	Confident	84.3	Confident	202 Å²	202	77.3 Å²	77.3	76%	0.762	39%	0.392	S	S	*	.	S	Bend	trans	-147.9	156	-173.6	-64.6	-175.9	-172.6	140.1	1	111.3	S101	R99-S101 PolarHBondContact O-N 3.25Å
100	K	76.5	Confident	84.3	Confident	127 Å²	127	79.5 Å²	79.5	55%	0.552	40%	0.403	S	S	*	.			trans	-64.1	115.7	165.5	-82.1	-179.6	-179.6	-164.2	0	108.3	Y7 G9 F104	Y7-K100 HydrophobicContact CE2-CD 4.31Å; Y7-K100 HydrophobicContact CE2-CG 3.84Å; Y7-K100 WeakPolarHBondContact OH-CG 3.18Å; Y7-K100 PolarHBondContact OH-N 2.88Å; G9-K100 WeakPolarHBondContact O-CE 3.44Å; G9-K100 PolarHBondContact O-NZ 3.19Å; K100-F104 HydrophobicContact CG-CD1 4.1Å; K100-F104 HydrophobicContact CG-CD2 4.12Å; K100-F104 HydrophobicContact CG-CE1 4.08Å; K100-F104 HydrophobicContact CG-CE2 4.15Å; K100-F104 HydrophobicContact CG-CG 4.12Å; K100-F104 HydrophobicContact CG-CZ 4.15Å
101	S	79	Confident	84.3	Confident	59 Å²	59	79.3 Å²	79.3	41%	0.413	40%	0.402	S	S	.	.	S	Bend	trans	-146.3	-177.1	177.5	68	0	0	0	0	108.8	R99 S103 F104	R99-S101 PolarHBondContact O-N 3.25Å; S101-S103 PolarHBondContact O-N 2.91Å; S101-S103 PolarHBondContact OG-N 2.83Å; S101-S103 PolarHBondContact OG-OG 3.37Å; S101-F104 WeakPolarHBondContact O-CB 3.29Å; S101-F104 PolarHBondContact O-N 3.35Å
102	L	79.1	Confident	84.5	Confident	189 Å²	189	75.8 Å²	75.8	99%	0.99	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-29.5	177	-65.8	176.1	0	0	0	113.2	F104	L102-F104 PolarHBondContact O-N 3.2Å
103	S	79.6	Confident	84.8	Confident	44 Å²	44	76 Å²	76	31%	0.308	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-2.8	177.4	60	0	0	0	0	114.1	R96 S101 S105	R96-S103 VanDerWaalsContact CB-O 3.23Å; R96-S103 WeakPolarHBondContact CB-O 3.18Å; R96-S103 PolarHBondContact NH1-O 2.85Å; S101-S103 PolarHBondContact O-N 2.91Å; S101-S103 PolarHBondContact OG-N 2.83Å; S101-S103 PolarHBondContact OG-OG 3.37Å; S103-S105 PolarHBondContact O-N 2.71Å
104	F	80.1	Confident	84.9	Confident	27 Å²	27	72.3 Å²	72.3	12%	0.118	38%	0.375	C	S	.	.			trans	-66.2	132.8	-171.3	-177.4	-106.7	0	0	0	112.4	Y7 G9 K100 S101 L102 K106	Y7-F104 AromaticContact CD2-CE2 3.54Å; Y7-F104 HydrophobicContact CD2-CE2 3.54Å; Y7-F104 AromaticContact CD2-CZ 3.3Å; Y7-F104 HydrophobicContact CD2-CZ 3.3Å; Y7-F104 HydrophobicContact CE1-CE2 4.33Å; Y7-F104 HydrophobicContact CE2-CD2 4.32Å; Y7-F104 HydrophobicContact CE2-CE1 4.27Å; Y7-F104 AromaticContact CE2-CE2 3.21Å; Y7-F104 HydrophobicContact CE2-CE2 3.21Å; Y7-F104 AromaticContact CE2-CZ 3.2Å; Y7-F104 HydrophobicContact CE2-CZ 3.2Å; Y7-F104 HydrophobicContact CG-CE2 4.21Å; Y7-F104 HydrophobicContact CG-CZ 4.27Å; Y7-F104 AromaticContact CZ-CE2 3.66Å; Y7-F104 WeakPolarHBondContact O-CE2 3.45Å; Y7-F104 VanDerWaalsContact O-CZ 3.29Å; Y7-F104 WeakPolarHBondContact O-CZ 3.34Å; G9-F104 VanDerWaalsContact N-CZ 3.34Å; G9-F104 WeakPolarHBondContact O-CE1 3.33Å; K100-F104 HydrophobicContact CG-CD1 4.1Å; K100-F104 HydrophobicContact CG-CD2 4.12Å; K100-F104 HydrophobicContact CG-CE1 4.08Å; K100-F104 HydrophobicContact CG-CE2 4.15Å; K100-F104 HydrophobicContact CG-CG 4.12Å; K100-F104 HydrophobicContact CG-CZ 4.15Å; S101-F104 WeakPolarHBondContact O-CB 3.29Å; S101-F104 PolarHBondContact O-N 3.35Å; L102-F104 PolarHBondContact O-N 3.2Å; F104-K106 PolarHBondContact O-N 3.07Å
105	S	82	Confident	85.1	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.007	37%	0.371	C	S	.	.			trans	-73.3	125.8	-177.9	-63.1	0	0	0	0	111.7	G9 R96 S103 H111	G9-S105 PolarHBondContact N-O 3.28Å; R96-S105 PolarHBondContact NH1-OG 3.48Å; R96-S105 VanDerWaalsContact NH1-OG 3.13Å; S103-S105 PolarHBondContact O-N 2.71Å; S105-H111 VanDerWaalsContact CB-ND1 3.34Å; S105-H111 WeakPolarHBondContact CB-ND1 3.38Å; S105-H111 WeakPolarHBondContact OG-CA 3.48Å; S105-H111 PolarHBondContact OG-ND1 3.37Å; S105-H111 VanDerWaalsContact OG-ND1 3.11Å
106	K	84.6	Confident	85.5	Confident	186 Å²	186	69 Å²	69	81%	0.809	35%	0.351	S	S	*	.	S	Bend	trans	-97	-21.3	169.9	-60.8	-179.7	-176.9	177.4	0	112.8	F104	F104-K106 PolarHBondContact O-N 3.07Å
107	S	90.5	Very high	85.9	Confident	52 Å²	52	72.5 Å²	72.5	36%	0.364	37%	0.369	S	S	.	.			trans	-109.6	136.1	175.6	170.3	0	0	0	0	110.5	E109 H111	S107-E109 VanDerWaalsContact C-N 3.34Å; S107-E109 PolarHBondContact OG-N 3.39Å; S107-H111 WeakPolarHBondContact O-CB 3.47Å; S107-H111 PolarHBondContact O-N 3.41Å; S107-H111 VanDerWaalsContact O-N 3.09Å
108	V	91.5	Very high	86.5	Confident	46 Å²	46	72.9 Å²	72.9	28%	0.279	37%	0.369	S	S	.	.	H	α-helix	trans	-64.3	-43.2	174.8	176.3	0	0	0	0	110	V8 L110 H111 D112	V8-V108 HydrophobicContact CB-CG2 4.22Å; V8-V108 HydrophobicContact CG1-CG2 4.01Å; V8-V108 HydrophobicContact CG2-CG2 4.24Å; V108-L110 PolarHBondContact O-N 3.45Å; V108-H111 WeakPolarHBondContact O-CB 3.48Å; V108-H111 PolarHBondContact O-N 3Å; V108-H111 VanDerWaalsContact O-N 3.13Å; V108-D112 PolarHBondContact O-N 3.39Å
109	E	92.7	Very high	87.3	Confident	117 Å²	117	70.7 Å²	70.7	55%	0.547	35%	0.346	S	S	.	.	H	α-helix	trans	-58.9	-47	179.7	-172	-167.9	163.6	0	0	111.8	S107 H111 D112 K113	S107-E109 VanDerWaalsContact C-N 3.34Å; S107-E109 PolarHBondContact OG-N 3.39Å; E109-H111 VanDerWaalsContact C-N 3.32Å; E109-H111 PolarHBondContact O-N 3.35Å; E109-D112 PolarHBondContact O-N 3.5Å; E109-K113 HydrophobicContact CG-CD 4.17Å; E109-K113 WeakPolarHBondContact O-CB 3.2Å; E109-K113 VanDerWaalsContact O-CG 3.32Å; E109-K113 WeakPolarHBondContact O-CG 3.38Å; E109-K113 PolarHBondContact O-N 3.13Å; E109-K113 WeakPolarHBondContact OE1-CE 3.5Å; E109-K113 IonicContact OE1-NZ 2.63Å; E109-K113 PolarHBondContact OE1-NZ 2.81Å
110	L	91.3	Very high	88.1	Confident	91 Å²	91	65 Å²	65	48%	0.476	33%	0.331	S	S	.	.	H	α-helix	trans	-65.9	-37.7	177.5	-177.7	63.8	0	0	0	111.6	V108 V114	V108-L110 PolarHBondContact O-N 3.45Å; L110-V114 HydrophobicContact CD1-CG2 4.05Å; L110-V114 HydrophobicContact CG-CG2 4.37Å; L110-V114 WeakPolarHBondContact O-CB 3.34Å; L110-V114 VanDerWaalsContact O-CG2 3.23Å; L110-V114 WeakPolarHBondContact O-CG2 3.33Å; L110-V114 PolarHBondContact O-N 3.11Å
111	H	91.2	Very high	88.6	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-59.7	-52.7	176.6	-167.7	87	0	0	0	111.2	V8 S105 S107 V108 E109 V114 I115	V8-H111 HydrophobicContact CG2-CB 3.85Å; S105-H111 VanDerWaalsContact CB-ND1 3.34Å; S105-H111 WeakPolarHBondContact CB-ND1 3.38Å; S105-H111 WeakPolarHBondContact OG-CA 3.48Å; S105-H111 PolarHBondContact OG-ND1 3.37Å; S105-H111 VanDerWaalsContact OG-ND1 3.11Å; S107-H111 WeakPolarHBondContact O-CB 3.47Å; S107-H111 PolarHBondContact O-N 3.41Å; S107-H111 VanDerWaalsContact O-N 3.09Å; V108-H111 WeakPolarHBondContact O-CB 3.48Å; V108-H111 PolarHBondContact O-N 3Å; V108-H111 VanDerWaalsContact O-N 3.13Å; E109-H111 VanDerWaalsContact C-N 3.32Å; E109-H111 PolarHBondContact O-N 3.35Å; H111-V114 PolarHBondContact O-N 3.01Å; H111-I115 VanDerWaalsContact CD2-CD1 3.43Å; H111-I115 WeakPolarHBondContact CD2-CD1 3.47Å; H111-I115 WeakPolarHBondContact NE2-CD1 3.32Å; H111-I115 WeakPolarHBondContact O-CG1 3.44Å; H111-I115 PolarHBondContact O-N 3.24Å; H111-I115 VanDerWaalsContact O-N 3.14Å
112	D	94.1	Very high	88.8	Confident	26 Å²	26	65.3 Å²	65.3	14%	0.139	33%	0.328	C	S	.	.	H	α-helix	trans	-63.6	-44.2	-179.5	-67	-2.3	0	0	0	111	R15 F33 V108 E109 V114 I115 G116	R15-D112 WeakPolarHBondContact CG-OD1 3.03Å; R15-D112 IonicContact CZ-OD1 3.32Å; R15-D112 IonicContact CZ-OD2 3.76Å; R15-D112 IonicContact NE-OD1 3.2Å; R15-D112 PolarHBondContact NE-OD1 3.2Å; R15-D112 IonicContact NE-OD2 2.89Å; R15-D112 PolarHBondContact NE-OD2 3.35Å; R15-D112 IonicContact NH2-OD1 2.66Å; R15-D112 IonicContact NH2-OD2 2.89Å; R15-D112 PolarHBondContact NH2-OD2 2.82Å; F33-D112 HydrophobicContact CD2-CB 3.7Å; F33-D112 HydrophobicContact CE2-CB 3.95Å; F33-D112 WeakPolarHBondContact CE2-O 3.43Å; F33-D112 HydrophobicContact CG-CB 4.01Å; F33-D112 HydrophobicContact CZ-CB 4.46Å; F33-D112 WeakPolarHBondContact CZ-O 3.46Å; V108-D112 PolarHBondContact O-N 3.39Å; E109-D112 PolarHBondContact O-N 3.5Å; D112-V114 PolarHBondContact O-N 2.98Å; D112-I115 PolarHBondContact O-N 3.45Å; D112-G116 PolarHBondContact O-N 3.18Å
113	K	93.5	Very high	88.8	Confident	127 Å²	127	57 Å²	57	55%	0.552	28%	0.284	S	S	*	.	H	α-helix	trans	-59.7	-45.1	177.2	-79.8	178	172.8	174.8	0	112.6	E109 H117	E109-K113 HydrophobicContact CG-CD 4.17Å; E109-K113 WeakPolarHBondContact O-CB 3.2Å; E109-K113 VanDerWaalsContact O-CG 3.32Å; E109-K113 WeakPolarHBondContact O-CG 3.38Å; E109-K113 PolarHBondContact O-N 3.13Å; E109-K113 WeakPolarHBondContact OE1-CE 3.5Å; E109-K113 IonicContact OE1-NZ 2.63Å; E109-K113 PolarHBondContact OE1-NZ 2.81Å; K113-H117 WeakPolarHBondContact O-CB 3.41Å; K113-H117 PolarHBondContact O-N 2.91Å
114	V	91.9	Very high	88.3	Confident	35 Å²	35	59 Å²	59	21%	0.212	29%	0.285	C	S	.	.	H	α-helix	trans	-65.9	-42	-179.5	172.1	0	0	0	0	111.2	L94 L110 H111 D112 Y118	L94-V114 HydrophobicContact CD2-CG1 4.11Å; L110-V114 HydrophobicContact CD1-CG2 4.05Å; L110-V114 HydrophobicContact CG-CG2 4.37Å; L110-V114 WeakPolarHBondContact O-CB 3.34Å; L110-V114 VanDerWaalsContact O-CG2 3.23Å; L110-V114 WeakPolarHBondContact O-CG2 3.33Å; L110-V114 PolarHBondContact O-N 3.11Å; H111-V114 PolarHBondContact O-N 3.01Å; D112-V114 PolarHBondContact O-N 2.98Å; V114-Y118 WeakPolarHBondContact O-CB 3.48Å; V114-Y118 PolarHBondContact O-N 2.94Å
115	I	92.5	Very high	87.2	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-68.9	-46.8	178.4	-62.7	165.8	0	0	0	110.4	L17 F33 L90 L94 L97 H111 D112 H117 Y118 L119	L17-I115 HydrophobicContact CD2-CG2 3.97Å; F33-I115 HydrophobicContact CE1-CB 3.82Å; F33-I115 HydrophobicContact CE1-CD1 4.03Å; F33-I115 HydrophobicContact CE1-CG2 3.65Å; F33-I115 HydrophobicContact CZ-CB 3.68Å; F33-I115 HydrophobicContact CZ-CG2 3.63Å; L90-I115 HydrophobicContact CD1-CG2 4.19Å; L94-I115 HydrophobicContact CD1-CG1 3.97Å; L97-I115 HydrophobicContact CD2-CD1 3.8Å; H111-I115 VanDerWaalsContact CD2-CD1 3.43Å; H111-I115 WeakPolarHBondContact CD2-CD1 3.47Å; H111-I115 WeakPolarHBondContact NE2-CD1 3.32Å; H111-I115 WeakPolarHBondContact O-CG1 3.44Å; H111-I115 PolarHBondContact O-N 3.24Å; H111-I115 VanDerWaalsContact O-N 3.14Å; D112-I115 PolarHBondContact O-N 3.45Å; I115-H117 VanDerWaalsContact C-N 3.31Å; I115-H117 PolarHBondContact O-N 3.2Å; I115-Y118 WeakPolarHBondContact O-CB 3.5Å; I115-Y118 PolarHBondContact O-N 3.31Å; I115-Y118 VanDerWaalsContact O-N 3.14Å; I115-L119 HydrophobicContact CG2-CD1 4.49Å; I115-L119 WeakPolarHBondContact O-CG 3.32Å; I115-L119 PolarHBondContact O-N 3.19Å
116	G	93.1	Very high	87.5	Confident	7 Å²	7	70.5 Å²	70.5	7%	0.072	34%	0.34	C	S	.	.	H	α-helix	trans	-58.5	-42.6	176.8	0	0	0	0	0	112	D112 Y118 L119 N120	D112-G116 PolarHBondContact O-N 3.18Å; G116-Y118 PolarHBondContact O-N 3.46Å; G116-L119 PolarHBondContact O-N 3.41Å; G116-N120 VanDerWaalsContact O-CG 3.23Å; G116-N120 PolarHBondContact O-N 3.21Å; G116-N120 PolarHBondContact O-OD1 2.66Å
117	H	93	Very high	87.6	Confident	119 Å²	119	64.4 Å²	64.4	55%	0.551	32%	0.315	S	S	*	.	H	α-helix	trans	-63.3	-41.3	175.1	-174.5	67.9	0	0	0	112.4	K113 I115 L119 N120 I121	K113-H117 WeakPolarHBondContact O-CB 3.41Å; K113-H117 PolarHBondContact O-N 2.91Å; I115-H117 VanDerWaalsContact C-N 3.31Å; I115-H117 PolarHBondContact O-N 3.2Å; H117-L119 PolarHBondContact O-N 2.87Å; H117-N120 PolarHBondContact O-N 3.45Å; H117-I121 WeakPolarHBondContact NE2-CD1 3.35Å; H117-I121 WeakPolarHBondContact O-CG1 3.34Å; H117-I121 PolarHBondContact O-N 2.9Å
118	Y	92.2	Very high	87.5	Confident	23 Å²	23	65.1 Å²	65.1	9%	0.09	31%	0.312	C	S	.	.	H	α-helix	trans	-60.5	-44.8	174.1	174.9	-82.7	0	0	0	111.9	L90 H93 L94 V114 I115 G116 N120 I121 K122 H123	L90-Y118 HydrophobicContact CB-CE1 4.34Å; L90-Y118 HydrophobicContact CD1-CD1 3.68Å; L90-Y118 HydrophobicContact CD1-CE1 3.83Å; L90-Y118 HydrophobicContact CG-CD1 4.42Å; L90-Y118 HydrophobicContact CG-CE1 4.36Å; H93-Y118 HydrophobicContact CB-CD2 4.45Å; H93-Y118 HydrophobicContact CB-CE2 3.63Å; H93-Y118 PolarHBondContact CE1-OH 3.46Å; H93-Y118 AromaticContact CG-CE2 3.94Å; H93-Y118 AromaticContact ND1-CE2 3.43Å; H93-Y118 WeakPolarHBondContact ND1-CE2 3.44Å; H93-Y118 AromaticContact ND1-CZ 3.46Å; H93-Y118 PolarHBondContact ND1-OH 3.02Å; L94-Y118 HydrophobicContact CD1-CD2 4.42Å; L94-Y118 HydrophobicContact CD1-CG 4.06Å; L94-Y118 HydrophobicContact CD2-CD2 4.07Å; L94-Y118 HydrophobicContact CD2-CG 4.43Å; L94-Y118 HydrophobicContact CG-CD2 4.19Å; L94-Y118 HydrophobicContact CG-CG 4.33Å; V114-Y118 WeakPolarHBondContact O-CB 3.48Å; V114-Y118 PolarHBondContact O-N 2.94Å; I115-Y118 WeakPolarHBondContact O-CB 3.5Å; I115-Y118 PolarHBondContact O-N 3.31Å; I115-Y118 VanDerWaalsContact O-N 3.14Å; G116-Y118 PolarHBondContact O-N 3.46Å; Y118-N120 VanDerWaalsContact C-N 3.35Å; Y118-N120 PolarHBondContact O-N 3.13Å; Y118-I121 PolarHBondContact O-N 3.09Å; Y118-K122 HydrophobicContact CD2-CG 4.35Å; Y118-K122 HydrophobicContact CE1-CB 4.24Å; Y118-K122 HydrophobicContact CE1-CG 4.17Å; Y118-K122 HydrophobicContact CE2-CG 3.89Å; Y118-K122 WeakPolarHBondContact O-CB 3.03Å; Y118-K122 PolarHBondContact O-N 3.27Å; Y118-H123 AromaticContact CE1-NE2 3.99Å
119	L	91.7	Very high	87.2	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-60.4	-45.5	176.1	-65.6	177.4	0	0	0	110.9	L17 H31 L90 I115 G116 H117 I121 K122 H123 Y124	L17-L119 HydrophobicContact CD1-CD1 3.97Å; L17-L119 HydrophobicContact CD2-CD1 4.28Å; H31-L119 HydrophobicContact CB-CD1 3.9Å; L90-L119 HydrophobicContact CD1-CD2 3.84Å; I115-L119 HydrophobicContact CG2-CD1 4.49Å; I115-L119 WeakPolarHBondContact O-CG 3.32Å; I115-L119 PolarHBondContact O-N 3.19Å; G116-L119 PolarHBondContact O-N 3.41Å; H117-L119 PolarHBondContact O-N 2.87Å; L119-I121 VanDerWaalsContact C-N 3.32Å; L119-I121 PolarHBondContact O-N 2.93Å; L119-K122 PolarHBondContact O-N 2.9Å; L119-H123 WeakPolarHBondContact O-CA 3.48Å; L119-H123 WeakPolarHBondContact O-CB 3.5Å; L119-H123 PolarHBondContact O-N 3.2Å; L119-Y124 HydrophobicContact CB-CD2 4.4Å; L119-Y124 HydrophobicContact CB-CE2 4.1Å; L119-Y124 WeakPolarHBondContact O-CD2 3.41Å; L119-Y124 PolarHBondContact O-N 3.04Å
120	N	89.4	Confident	86.9	Confident	82 Å²	82	63.1 Å²	63.1	44%	0.439	30%	0.3	S	S	.	.	H	α-helix	trans	-56.3	-44.2	177.9	-71.2	-11.1	0	0	0	112.4	G116 H117 Y118 Y124	G116-N120 VanDerWaalsContact O-CG 3.23Å; G116-N120 PolarHBondContact O-N 3.21Å; G116-N120 PolarHBondContact O-OD1 2.66Å; H117-N120 PolarHBondContact O-N 3.45Å; Y118-N120 VanDerWaalsContact C-N 3.35Å; Y118-N120 PolarHBondContact O-N 3.13Å; N120-Y124 WeakPolarHBondContact OD1-CD2 3.32Å
121	I	87	Confident	86.6	Confident	75 Å²	75	61.2 Å²	61.2	39%	0.385	29%	0.288	S	S	.	.	H	α-helix	trans	-71.3	-42	179.8	-68.3	170.6	0	0	0	111.9	H117 Y118 L119 Q125	H117-I121 WeakPolarHBondContact NE2-CD1 3.35Å; H117-I121 WeakPolarHBondContact O-CG1 3.34Å; H117-I121 PolarHBondContact O-N 2.9Å; Y118-I121 PolarHBondContact O-N 3.09Å; L119-I121 VanDerWaalsContact C-N 3.32Å; L119-I121 PolarHBondContact O-N 2.93Å; I121-Q125 PolarHBondContact O-OE1 2.63Å
122	K	83	Confident	86.3	Confident	119 Å²	119	65.5 Å²	65.5	52%	0.517	31%	0.308	S	S	.	.	H	α-helix	trans	-96.9	-19.4	-166.6	-66.4	-61.7	-175.5	-174.6	0	114.8	Y118 L119	Y118-K122 HydrophobicContact CD2-CG 4.35Å; Y118-K122 HydrophobicContact CE1-CB 4.24Å; Y118-K122 HydrophobicContact CE1-CG 4.17Å; Y118-K122 HydrophobicContact CE2-CG 3.89Å; Y118-K122 WeakPolarHBondContact O-CB 3.03Å; Y118-K122 PolarHBondContact O-N 3.27Å; L119-K122 PolarHBondContact O-N 2.9Å
123	H	79	Confident	85.7	Confident	14 Å²	14	68.5 Å²	68.5	7%	0.065	32%	0.321	C	S	.	.	H	α-helix	trans	-137.5	-11.5	-164.9	-62.4	-40.8	0	0	0	115.7	T27 V28 H86 Y118 L119	T27-H123 CarbonylContact C-O 3.57Å; T27-H123 WeakPolarHBondContact CA-O 3.3Å; T27-H123 WeakPolarHBondContact CB-O 3.48Å; T27-H123 WeakPolarHBondContact CG2-O 3.11Å; V28-H123 HydrophobicContact CB-CB 3.84Å; V28-H123 HydrophobicContact CG2-CB 3.54Å; V28-H123 PolarHBondContact N-O 3.4Å; H86-H123 AromaticContact CE1-CE1 3.32Å; H86-H123 PolarHBondContact CE1-CE1 2.89Å; H86-H123 AromaticContact CE1-ND1 3.51Å; H86-H123 AromaticContact ND1-CE1 2.9Å; H86-H123 PolarHBondContact ND1-CE1 3.47Å; H86-H123 AromaticContact ND1-ND1 3.47Å; H86-H123 PolarHBondContact ND1-ND1 2.91Å; H86-H123 AromaticContact ND1-NE2 3.39Å; H86-H123 PolarHBondContact ND1-NE2 3.19Å; Y118-H123 AromaticContact CE1-NE2 3.99Å; L119-H123 WeakPolarHBondContact O-CA 3.48Å; L119-H123 WeakPolarHBondContact O-CB 3.5Å; L119-H123 PolarHBondContact O-N 3.2Å
124	Y	70.2	Confident	85	Confident	86 Å²	86	63.7 Å²	63.7	34%	0.337	30%	0.302	S	S	.	.			trans	-97.9	-2.7	174.5	-77.1	-85.8	0	0	0	113.4	V28 H31 L119 N120	V28-Y124 HydrophobicContact CB-CE2 4.18Å; V28-Y124 HydrophobicContact CG1-CE2 3.9Å; V28-Y124 WeakPolarHBondContact O-CD1 3.43Å; V28-Y124 WeakPolarHBondContact O-CE1 3.44Å; H31-Y124 AromaticContact ND1-CE2 3.88Å; H31-Y124 AromaticContact ND1-CZ 3.82Å; H31-Y124 PolarHBondContact ND1-OH 3.29Å; L119-Y124 HydrophobicContact CB-CD2 4.4Å; L119-Y124 HydrophobicContact CB-CE2 4.1Å; L119-Y124 WeakPolarHBondContact O-CD2 3.41Å; L119-Y124 PolarHBondContact O-N 3.04Å; N120-Y124 WeakPolarHBondContact OD1-CD2 3.32Å
125	Q	57.5	Low	84.4	Confident	199 Å²	199	66.3 Å²	66.3	93%	0.93	31%	0.31	S	S	*	.			trans	-88.8	0	173	-60.6	-175	-19.9	0	0	110.7	I121	I121-Q125 PolarHBondContact O-OE1 2.63Å

Retrieved 125 of 125 residues in 25.7 ms (Link to these results)

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