A0A5K4FAD2_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FAD2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 178 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	45.4	Very low	50.2	Low	134 Å²	134	71.1 Å²	71.1	66%	0.66	40%	0.401	S	S	*	.				0	95.3	0	-79.1	162.4	57.1	0	0	108.3	M120	M1-M120 HydrophobicContact CE-CE 3.75Å
2	F	47.6	Very low	50.2	Low	69 Å²	69	73.1 Å²	73.1	30%	0.303	40%	0.402	S	S	.	.			trans	-86.8	7.1	168.5	-70.6	-79.7	0	0	0	111.8	S4 I6 V50 Y157	F2-S4 PolarHBondContact O-N 2.93Å; F2-I6 WeakPolarHBondContact O-CD1 3.15Å; F2-V50 HydrophobicContact CE1-CG1 4.23Å; F2-V50 HydrophobicContact CZ-CB 4.29Å; F2-V50 HydrophobicContact CZ-CG1 3.66Å; F2-Y157 AromaticContact CD1-CD1 3.61Å; F2-Y157 HydrophobicContact CD1-CD1 3.61Å; F2-Y157 AromaticContact CD1-CE1 3.52Å; F2-Y157 HydrophobicContact CD1-CE1 3.52Å; F2-Y157 AromaticContact CE1-CD1 3.66Å; F2-Y157 HydrophobicContact CE1-CD1 3.66Å; F2-Y157 AromaticContact CE1-CE1 3.73Å; F2-Y157 HydrophobicContact CE1-CE1 3.73Å; F2-Y157 HydrophobicContact CE1-CG 4.17Å
3	L	47.1	Very low	50.3	Low	115 Å²	115	80.5 Å²	80.5	60%	0.602	43%	0.428	S	S	*	.	H	α-helix	trans	-76.9	-25.6	-159.9	-85	152.6	0	0	0	114.7	I5 I6	L3-I5 PolarHBondContact O-N 3.43Å; L3-I6 PolarHBondContact O-N 3.37Å
4	S	52.1	Low	50.4	Low	15 Å²	15	75.5 Å²	75.5	11%	0.105	40%	0.402	C	S	.	.	H	α-helix	trans	-63.2	-47.8	-163.7	-59.2	0	0	0	0	113.2	F2 Q113 F117	F2-S4 PolarHBondContact O-N 2.93Å; S4-Q113 VanDerWaalsContact C-OE1 3.32Å; S4-Q113 PolarHBondContact O-NE2 3.24Å; S4-Q113 PolarHBondContact O-OE1 3.46Å; S4-F117 VanDerWaalsContact CB-CZ 3.44Å
5	I	50.6	Low	50.6	Low	14 Å²	14	76.4 Å²	76.4	7%	0.072	41%	0.413	C	S	.	.	H	α-helix	trans	-81.2	-24.8	-177.6	-58.8	-166.6	0	0	0	112.9	L3 L7 C8 I9 L94 N158 F162	L3-I5 PolarHBondContact O-N 3.43Å; I5-L7 PolarHBondContact O-N 2.93Å; I5-C8 PolarHBondContact O-N 2.97Å; I5-I9 HydrophobicContact CG2-CD1 3.93Å; I5-I9 HydrophobicContact CG2-CG1 4.3Å; I5-I9 WeakPolarHBondContact O-CD1 3.28Å; I5-I9 WeakPolarHBondContact O-CG1 3.47Å; I5-L94 HydrophobicContact CD1-CD2 3.5Å; I5-L94 HydrophobicContact CD1-CG 4.45Å; I5-N158 HydrophobicContact CD1-CB 3.65Å; I5-N158 HydrophobicContact CG1-CB 4.28Å; I5-F162 HydrophobicContact CG2-CB 4.29Å
6	I	50.5	Low	50.8	Low	91 Å²	91	75.4 Å²	75.4	47%	0.467	41%	0.407	S	S	.	.	H	α-helix	trans	-51.6	-30.6	177.5	-60.5	177.7	0	0	0	111.2	F2 L3 C8 I9	F2-I6 WeakPolarHBondContact O-CD1 3.15Å; L3-I6 PolarHBondContact O-N 3.37Å; I6-C8 PolarHBondContact O-N 2.7Å; I6-I9 PolarHBondContact O-N 3.13Å
7	L	51	Low	50.7	Low	121 Å²	121	81.1 Å²	81.1	63%	0.634	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-31.1	178	-67.8	169.3	0	0	0	114.2	I5 I9	I5-L7 PolarHBondContact O-N 2.93Å; L7-I9 VanDerWaalsContact C-N 3.34Å
8	C	59.6	Low	50.9	Low	3 Å²	3	78.7 Å²	78.7	2%	0.02	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-78.8	-21.4	178.6	-59	0	0	0	0	113.5	I5 I6 G10 W106 C109	I5-C8 PolarHBondContact O-N 2.97Å; I6-C8 PolarHBondContact O-N 2.7Å; C8-G10 PolarHBondContact O-N 2.97Å; C8-W106 HydrophobicContact CB-CE3 4.04Å; C8-W106 HydrophobicContact CB-CZ3 3.65Å; C8-W106 WeakPolarHBondContact O-CZ3 3.49Å; C8-C109 WeakPolarHBondContact CA-SG 3.42Å; C8-C109 HydrophobicContact CB-CB 3.68Å; C8-C109 WeakPolarHBondContact CB-SG 3.44Å; C8-C109 WeakPolarHBondContact SG-CB 3.49Å; C8-C109 CovalentContact SG-SG 2.01Å; C8-C109 PolarHBondContact SG-SG 3.45Å
9	I	54.2	Low	51.1	Low	46 Å²	46	74.5 Å²	74.5	24%	0.236	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-76.6	-14.2	-166.9	-65.3	161.6	0	0	0	111.8	I5 I6 L7 V11 L161 Q165	I5-I9 HydrophobicContact CG2-CD1 3.93Å; I5-I9 HydrophobicContact CG2-CG1 4.3Å; I5-I9 WeakPolarHBondContact O-CD1 3.28Å; I5-I9 WeakPolarHBondContact O-CG1 3.47Å; I6-I9 PolarHBondContact O-N 3.13Å; L7-I9 VanDerWaalsContact C-N 3.34Å; I9-V11 PolarHBondContact O-N 3.01Å; I9-L161 HydrophobicContact CD1-CD2 4.46Å; I9-Q165 VanDerWaalsContact CD1-CD 3.41Å; I9-Q165 VanDerWaalsContact CG2-CD 3.45Å; I9-Q165 HydrophobicContact CG2-CG 4.19Å; I9-Q165 VanDerWaalsContact CG2-NE2 3.26Å
10	G	48.9	Very low	51.2	Low	60 Å²	60	74.9 Å²	74.9	62%	0.619	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-64.7	-31.7	-164	0	0	0	0	0	117.7	C8	C8-G10 PolarHBondContact O-N 2.97Å
11	V	45.2	Very low	51.4	Low	114 Å²	114	73.3 Å²	73.3	69%	0.691	40%	0.395	S	S	*	.	S	Bend	trans	-156.7	49.7	-156.9	-157.7	0	0	0	0	116.5	I9	I9-V11 PolarHBondContact O-N 3.01Å
12	F	50	Low	51.8	Low	95 Å²	95	67.4 Å²	67.4	42%	0.417	37%	0.366	S	S	.	.			trans	-141	108.9	-178.8	-62.1	-64.6	0	0	0	116.8	T105	F12-T105 HydrophobicContact CB-CG2 3.44Å; F12-T105 VanDerWaalsContact CB-CG2 3.44Å; F12-T105 HydrophobicContact CD1-CG2 3Å; F12-T105 HydrophobicContact CD2-CG2 4.01Å; F12-T105 HydrophobicContact CE1-CG2 3.76Å; F12-T105 HydrophobicContact CG-CG2 3.16Å
13	F	52.5	Low	52.3	Low	170 Å²	170	64.7 Å²	64.7	75%	0.746	35%	0.354	S	S	*	.			trans	-78	123.2	160.8	-66.8	-89.1	0	0	0	108.3
14	L	51.6	Low	52.8	Low	10 Å²	10	64.5 Å²	64.5	5%	0.052	35%	0.354	C	S	.	.			trans	-134.4	143.3	-174.7	-102.3	170.8	0	0	0	109.3	I16 F19 T105 W106 E173	L14-I16 PolarHBondContact O-N 3.44Å; L14-F19 HydrophobicContact CB-CD1 4.1Å; L14-F19 HydrophobicContact CB-CE1 3.4Å; L14-F19 VanDerWaalsContact CB-CE1 3.4Å; L14-F19 HydrophobicContact CB-CE2 3.85Å; L14-F19 HydrophobicContact CB-CZ 3.25Å; L14-F19 HydrophobicContact CD1-CD1 4.16Å; L14-F19 HydrophobicContact CD1-CE1 3.65Å; L14-F19 HydrophobicContact CD1-CZ 4.33Å; L14-F19 HydrophobicContact CG-CE1 4.22Å; L14-F19 HydrophobicContact CG-CZ 4.44Å; L14-F19 WeakPolarHBondContact O-CE2 3.03Å; L14-T105 HydrophobicContact CD1-CG2 4.12Å; L14-T105 HydrophobicContact CD2-CG2 4.37Å; L14-T105 VanDerWaalsContact CD2-OG1 3.24Å; L14-T105 WeakPolarHBondContact CD2-OG1 3.39Å; L14-T105 HydrophobicContact CG-CG2 4.03Å; L14-W106 HydrophobicContact CD1-CG 4.48Å; L14-E173 VanDerWaalsContact O-OE2 3.12Å
15	P	52.9	Low	53	Low	89 Å²	89	64.7 Å²	64.7	58%	0.578	35%	0.353	S	S	*	.			trans	-62.1	135	176.4	-19.8	30.7	0	0	0	112.2	H17 S18	P15-H17 PolarHBondContact O-N 3.1Å; P15-S18 WeakPolarHBondContact O-CB 3.22Å; P15-S18 PolarHBondContact O-N 3.16Å
16	I	54.3	Low	53.1	Low	60 Å²	60	72 Å²	72	31%	0.308	39%	0.387	S	S	.	.	H	α-helix	trans	-44	-39.2	-177.5	-60.3	174.5	0	0	0	114.4	L14 S18 F19 E173 M174	L14-I16 PolarHBondContact O-N 3.44Å; I16-S18 VanDerWaalsContact C-N 3.35Å; I16-S18 PolarHBondContact O-N 2.62Å; I16-F19 WeakPolarHBondContact O-CB 3.32Å; I16-F19 PolarHBondContact O-N 3.27Å; I16-E173 HydrophobicContact CD1-CB 4.32Å; I16-E173 HydrophobicContact CG1-CB 4.35Å; I16-E173 WeakPolarHBondContact CG1-OE2 3.47Å; I16-M174 HydrophobicContact CD1-CG 4.38Å
17	H	48.9	Very low	53.4	Low	173 Å²	173	75.1 Å²	75.1	80%	0.801	40%	0.399	S	S	*	.	H	α-helix	trans	-66.9	-32.2	-179.1	-78.4	-39.2	0	0	0	114.2	P15 F19	P15-H17 PolarHBondContact O-N 3.1Å; H17-F19 PolarHBondContact O-N 3.16Å
18	S	53.3	Low	53.9	Low	37 Å²	37	72.6 Å²	72.6	26%	0.259	38%	0.384	S	S	.	.	H	α-helix	trans	-66.6	-32.3	175.3	-61.3	0	0	0	0	110.7	P15 I16 S21 I22	P15-S18 WeakPolarHBondContact O-CB 3.22Å; P15-S18 PolarHBondContact O-N 3.16Å; I16-S18 VanDerWaalsContact C-N 3.35Å; I16-S18 PolarHBondContact O-N 2.62Å; S18-S21 PolarHBondContact O-OG 3.49Å; S18-I22 WeakPolarHBondContact O-CG1 3.43Å
19	F	55.2	Low	54.2	Low	0 Å²	0	77.7 Å²	77.7	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-70.2	-42.8	-175.6	-68.6	-47.9	0	0	0	114.7	L14 I16 H17 S21 I22 L166 D169 I170	L14-F19 HydrophobicContact CB-CD1 4.1Å; L14-F19 HydrophobicContact CB-CE1 3.4Å; L14-F19 VanDerWaalsContact CB-CE1 3.4Å; L14-F19 HydrophobicContact CB-CE2 3.85Å; L14-F19 HydrophobicContact CB-CZ 3.25Å; L14-F19 HydrophobicContact CD1-CD1 4.16Å; L14-F19 HydrophobicContact CD1-CE1 3.65Å; L14-F19 HydrophobicContact CD1-CZ 4.33Å; L14-F19 HydrophobicContact CG-CE1 4.22Å; L14-F19 HydrophobicContact CG-CZ 4.44Å; L14-F19 WeakPolarHBondContact O-CE2 3.03Å; I16-F19 WeakPolarHBondContact O-CB 3.32Å; I16-F19 PolarHBondContact O-N 3.27Å; H17-F19 PolarHBondContact O-N 3.16Å; F19-S21 PolarHBondContact O-N 3.19Å; F19-S21 VanDerWaalsContact O-N 3.13Å; F19-I22 HydrophobicContact CD1-CD1 4.5Å; F19-I22 PolarHBondContact O-N 3.28Å; F19-L166 HydrophobicContact CB-CD1 3.79Å; F19-L166 HydrophobicContact CD1-CD1 3Å; F19-L166 HydrophobicContact CD1-CG 4.4Å; F19-L166 HydrophobicContact CE1-CD1 3.48Å; F19-L166 VanDerWaalsContact CE1-CD1 3.48Å; F19-L166 HydrophobicContact CG-CD1 3.58Å; F19-L166 HydrophobicContact CZ-CD1 4.44Å; F19-D169 HydrophobicContact CZ-CB 4.39Å; F19-I170 HydrophobicContact CB-CD1 3.88Å; F19-I170 HydrophobicContact CB-CG1 3.96Å; F19-I170 HydrophobicContact CD2-CD1 4.5Å; F19-I170 HydrophobicContact CD2-CG1 3.65Å; F19-I170 HydrophobicContact CE2-CG1 4.31Å; F19-I170 HydrophobicContact CG-CD1 4.42Å; F19-I170 HydrophobicContact CG-CG1 4.02Å
20	L	53.5	Low	55.4	Low	82 Å²	82	80.2 Å²	80.2	43%	0.429	44%	0.436	S	S	.	.	H	α-helix	trans	-63.7	-21.4	-176.5	-70.5	173.5	0	0	0	113.4	F25	L20-F25 HydrophobicContact CD2-CB 4.13Å; L20-F25 HydrophobicContact CD2-CD2 4.47Å; L20-F25 HydrophobicContact CD2-CG 4.49Å
21	S	54.5	Low	57.2	Low	42 Å²	42	81.2 Å²	81.2	29%	0.294	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-13.8	-179	76.7	0	0	0	0	114.7	S18 F19 K102	S18-S21 PolarHBondContact O-OG 3.49Å; F19-S21 PolarHBondContact O-N 3.19Å; F19-S21 VanDerWaalsContact O-N 3.13Å; S21-K102 WeakPolarHBondContact OG-CD 3.49Å
22	I	55.2	Low	59.1	Low	9 Å²	9	77.2 Å²	77.2	5%	0.046	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-41	-171.6	-69.7	176.4	0	0	0	111.7	S18 F19 I100 F162 L166	S18-I22 WeakPolarHBondContact O-CG1 3.43Å; F19-I22 HydrophobicContact CD1-CD1 4.5Å; F19-I22 PolarHBondContact O-N 3.28Å; I22-I100 HydrophobicContact CD1-CG2 4.13Å; I22-I100 HydrophobicContact CG1-CG2 4.04Å; I22-I100 HydrophobicContact CG2-CD1 3.89Å; I22-I100 HydrophobicContact CG2-CG1 3.92Å; I22-I100 HydrophobicContact CG2-CG2 4.34Å; I22-F162 HydrophobicContact CG2-CE1 3.69Å; I22-F162 HydrophobicContact CG2-CZ 3.8Å; I22-L166 HydrophobicContact CB-CD2 4.46Å; I22-L166 HydrophobicContact CG2-CD2 4.36Å
23	I	56.8	Low	60.9	Low	12 Å²	12	77.7 Å²	77.7	6%	0.062	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	125.9	173.2	-54.8	-173.1	0	0	0	102.4	F25 F162 K163 L166	I23-F25 HydrophobicContact CB-CD2 3.8Å; I23-F25 HydrophobicContact CB-CE2 3.64Å; I23-F25 HydrophobicContact CB-CZ 4.32Å; I23-F25 HydrophobicContact CD1-CE2 4.22Å; I23-F25 HydrophobicContact CG1-CE2 4.3Å; I23-F25 HydrophobicContact CG2-CD2 4.26Å; I23-F25 HydrophobicContact CG2-CE2 4.04Å; I23-F25 HydrophobicContact CG2-CZ 4.26Å; I23-F25 WeakPolarHBondContact O-CD2 3.45Å; I23-F25 PolarHBondContact O-N 3.27Å; I23-F162 HydrophobicContact CD1-CD1 4.06Å; I23-F162 HydrophobicContact CD1-CE1 4.07Å; I23-F162 HydrophobicContact CG1-CE1 4.23Å; I23-K163 HydrophobicContact CD1-CB 3.52Å; I23-K163 HydrophobicContact CD1-CD 4.18Å; I23-K163 HydrophobicContact CD1-CG 3.62Å; I23-K163 HydrophobicContact CG2-CD 4.04Å; I23-L166 HydrophobicContact CB-CD2 4.32Å; I23-L166 HydrophobicContact CD1-CB 4.45Å; I23-L166 HydrophobicContact CD1-CD2 3.42Å; I23-L166 VanDerWaalsContact CD1-CD2 3.42Å; I23-L166 HydrophobicContact CG1-CD2 3.57Å
24	D	57	Low	62.7	Low	112 Å²	112	72.5 Å²	72.5	60%	0.599	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	62.5	-174	-143.5	5.4	0	0	0	112.3	E26	D24-E26 PolarHBondContact O-N 3.38Å
25	F	58.4	Low	64.5	Low	18 Å²	18	72.4 Å²	72.4	8%	0.079	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-72.4	-15.2	-174.5	-87.7	-65.1	0	0	0	110.5	L20 I23 H27 E28 L35 K163 L166 L167	L20-F25 HydrophobicContact CD2-CB 4.13Å; L20-F25 HydrophobicContact CD2-CD2 4.47Å; L20-F25 HydrophobicContact CD2-CG 4.49Å; I23-F25 HydrophobicContact CB-CD2 3.8Å; I23-F25 HydrophobicContact CB-CE2 3.64Å; I23-F25 HydrophobicContact CB-CZ 4.32Å; I23-F25 HydrophobicContact CD1-CE2 4.22Å; I23-F25 HydrophobicContact CG1-CE2 4.3Å; I23-F25 HydrophobicContact CG2-CD2 4.26Å; I23-F25 HydrophobicContact CG2-CE2 4.04Å; I23-F25 HydrophobicContact CG2-CZ 4.26Å; I23-F25 WeakPolarHBondContact O-CD2 3.45Å; I23-F25 PolarHBondContact O-N 3.27Å; F25-H27 PolarHBondContact O-N 3.06Å; F25-E28 HydrophobicContact CD1-CB 4.33Å; F25-E28 WeakPolarHBondContact CD1-OE2 3.47Å; F25-E28 VanDerWaalsContact CE1-OE2 3.26Å; F25-E28 WeakPolarHBondContact CE1-OE2 3.3Å; F25-E28 PolarHBondContact O-N 2.95Å; F25-L35 HydrophobicContact CD1-CD1 3.95Å; F25-L35 HydrophobicContact CE1-CD1 3.86Å; F25-K163 HydrophobicContact CZ-CG 4.34Å; F25-L166 HydrophobicContact CE2-CD2 3.95Å; F25-L167 HydrophobicContact CE1-CD2 3.58Å; F25-L167 HydrophobicContact CE1-CG 4.3Å; F25-L167 HydrophobicContact CE2-CD2 4.31Å; F25-L167 HydrophobicContact CZ-CD1 4.23Å; F25-L167 HydrophobicContact CZ-CD2 3.33Å; F25-L167 HydrophobicContact CZ-CG 3.72Å
26	E	52	Low	66.3	Low	168 Å²	168	70 Å²	70	79%	0.785	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-53.2	-26.1	176	-68.5	-171.2	175.9	0	0	112.2	D24	D24-E26 PolarHBondContact O-N 3.38Å
27	H	55.8	Low	68.2	Low	156 Å²	156	73.8 Å²	73.8	72%	0.722	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-92.1	-12	176.9	-69.5	-46.2	0	0	0	115.2	F25 A29	F25-H27 PolarHBondContact O-N 3.06Å; H27-A29 PolarHBondContact O-N 3.45Å
28	E	61.1	Low	70.2	Confident	69 Å²	69	69.2 Å²	69.2	32%	0.322	37%	0.366	S	S	.	.			trans	-93.4	82.9	-178.6	-72.5	-173.3	170.4	0	0	110.5	F25 K30 L35 K163	F25-E28 HydrophobicContact CD1-CB 4.33Å; F25-E28 WeakPolarHBondContact CD1-OE2 3.47Å; F25-E28 VanDerWaalsContact CE1-OE2 3.26Å; F25-E28 WeakPolarHBondContact CE1-OE2 3.3Å; F25-E28 PolarHBondContact O-N 2.95Å; E28-K30 PolarHBondContact O-N 3.39Å; E28-L35 HydrophobicContact CB-CD1 3.82Å; E28-L35 HydrophobicContact CB-CD2 3.99Å; E28-L35 HydrophobicContact CG-CD2 4.15Å; E28-L35 WeakPolarHBondContact OE2-CD1 3.47Å; E28-L35 WeakPolarHBondContact OE2-CD2 3.32Å; E28-K163 IonicContact OE1-NZ 2.66Å; E28-K163 PolarHBondContact OE1-NZ 3.25Å; E28-K163 IonicContact OE2-NZ 2.78Å; E28-K163 PolarHBondContact OE2-NZ 2.9Å
29	A	65.9	Low	72	Confident	110 Å²	110	67.7 Å²	67.7	91%	0.909	36%	0.355	S	S	*	.			trans	-64.7	14	176.7	0	0	0	0	0	115.1	H27	H27-A29 PolarHBondContact O-N 3.45Å
30	K	80.8	Confident	73.9	Confident	99 Å²	99	74 Å²	74	43%	0.43	38%	0.382	S	S	.	.	S	Bend	trans	-95.5	150.1	-176.2	-63.7	-178.1	-175.1	178.6	0	110.6	E28 V34 L35 E38	E28-K30 PolarHBondContact O-N 3.39Å; K30-V34 HydrophobicContact CD-CG1 4.13Å; K30-L35 HydrophobicContact CB-CD1 4.5Å; K30-L35 HydrophobicContact CB-CD2 3.82Å; K30-L35 HydrophobicContact CB-CG 3.97Å; K30-L35 HydrophobicContact CD-CD2 3.94Å; K30-L35 HydrophobicContact CG-CD2 4.37Å; K30-E38 IonicContact NZ-OE1 2.83Å; K30-E38 PolarHBondContact NZ-OE1 3.47Å; K30-E38 IonicContact NZ-OE2 2.71Å; K30-E38 PolarHBondContact NZ-OE2 2.84Å
31	P	85.9	Confident	75.9	Confident	80 Å²	80	74.7 Å²	74.7	52%	0.519	39%	0.386	S	S	.	.			trans	-55.2	143	169.4	-23	33.1	0	0	0	111.7	E33 V34 L35	P31-E33 PolarHBondContact O-N 3.02Å; P31-V34 HydrophobicContact CB-CG2 4.14Å; P31-V34 HydrophobicContact CG-CG2 4.23Å; P31-V34 WeakPolarHBondContact O-CA 3.49Å; P31-V34 WeakPolarHBondContact O-CB 3.33Å; P31-V34 PolarHBondContact O-N 3.39Å; P31-L35 PolarHBondContact O-N 3.14Å; P31-L35 VanDerWaalsContact O-N 3.14Å
32	I	85	Confident	77.8	Confident	30 Å²	30	75.9 Å²	75.9	15%	0.154	39%	0.389	C	S	.	.	H	α-helix	trans	-60.1	-33.2	-174.7	-164.1	170.4	0	0	0	112.7	V34 L35 L36 L167 I170 I171 M174	I32-V34 VanDerWaalsContact C-N 3.31Å; I32-V34 PolarHBondContact O-N 2.99Å; I32-L35 PolarHBondContact O-N 3.37Å; I32-L36 WeakPolarHBondContact O-CB 3.1Å; I32-L36 PolarHBondContact O-N 2.74Å; I32-L167 HydrophobicContact CD1-CD2 3.9Å; I32-L167 HydrophobicContact CG1-CD2 3.4Å; I32-L167 VanDerWaalsContact CG1-CD2 3.4Å; I32-I170 HydrophobicContact CD1-CB 3.6Å; I32-I170 HydrophobicContact CD1-CD1 4.05Å; I32-I170 HydrophobicContact CD1-CG1 4.46Å; I32-I170 HydrophobicContact CD1-CG2 3.29Å; I32-I171 HydrophobicContact CB-CG1 4.44Å; I32-I171 HydrophobicContact CD1-CG1 4.09Å; I32-I171 HydrophobicContact CG1-CD1 4.2Å; I32-I171 HydrophobicContact CG1-CG1 4.09Å; I32-I171 HydrophobicContact CG2-CD1 4.05Å; I32-I171 HydrophobicContact CG2-CG1 3.62Å; I32-M174 HydrophobicContact CG2-SD 4.33Å
33	E	87.7	Confident	79.7	Confident	106 Å²	106	76.2 Å²	76.2	50%	0.495	39%	0.391	S	S	.	.	H	α-helix	trans	-66.2	-34.1	175.9	-63.4	84	174.8	0	0	112.4	P31 K37 I171	P31-E33 PolarHBondContact O-N 3.02Å; E33-K37 PolarHBondContact O-N 2.95Å; E33-K37 VanDerWaalsContact O-N 3.11Å; E33-I171 HydrophobicContact CG-CD1 4.29Å
34	V	90.1	Very high	81.6	Confident	61 Å²	61	82.3 Å²	82.3	37%	0.37	42%	0.417	S	S	.	.	H	α-helix	trans	-68.8	-44.5	175	177.4	0	0	0	0	109.5	K30 P31 I32 L36 K37 E38	K30-V34 HydrophobicContact CD-CG1 4.13Å; P31-V34 HydrophobicContact CB-CG2 4.14Å; P31-V34 HydrophobicContact CG-CG2 4.23Å; P31-V34 WeakPolarHBondContact O-CA 3.49Å; P31-V34 WeakPolarHBondContact O-CB 3.33Å; P31-V34 PolarHBondContact O-N 3.39Å; I32-V34 VanDerWaalsContact C-N 3.31Å; I32-V34 PolarHBondContact O-N 2.99Å; V34-L36 VanDerWaalsContact C-N 3.34Å; V34-L36 PolarHBondContact O-N 3.42Å; V34-K37 PolarHBondContact O-N 3.33Å; V34-E38 HydrophobicContact CG1-CG 4.44Å; V34-E38 WeakPolarHBondContact O-CG 3.43Å; V34-E38 PolarHBondContact O-N 3.46Å
35	L	89.3	Confident	83.5	Confident	8 Å²	8	81.1 Å²	81.1	4%	0.042	41%	0.409	C	S	.	.	H	α-helix	trans	-61.2	-41.9	176.8	-63.9	174.3	0	0	0	112.1	F25 E28 K30 P31 I32 K37 E38 N39 L167	F25-L35 HydrophobicContact CD1-CD1 3.95Å; F25-L35 HydrophobicContact CE1-CD1 3.86Å; E28-L35 HydrophobicContact CB-CD1 3.82Å; E28-L35 HydrophobicContact CB-CD2 3.99Å; E28-L35 HydrophobicContact CG-CD2 4.15Å; E28-L35 WeakPolarHBondContact OE2-CD1 3.47Å; E28-L35 WeakPolarHBondContact OE2-CD2 3.32Å; K30-L35 HydrophobicContact CB-CD1 4.5Å; K30-L35 HydrophobicContact CB-CD2 3.82Å; K30-L35 HydrophobicContact CB-CG 3.97Å; K30-L35 HydrophobicContact CD-CD2 3.94Å; K30-L35 HydrophobicContact CG-CD2 4.37Å; P31-L35 PolarHBondContact O-N 3.14Å; P31-L35 VanDerWaalsContact O-N 3.14Å; I32-L35 PolarHBondContact O-N 3.37Å; L35-K37 VanDerWaalsContact C-N 3.34Å; L35-K37 PolarHBondContact O-N 3.34Å; L35-E38 PolarHBondContact O-N 2.98Å; L35-N39 WeakPolarHBondContact O-CB 3.43Å; L35-N39 PolarHBondContact O-N 3.46Å; L35-L167 HydrophobicContact CB-CD1 4.17Å; L35-L167 HydrophobicContact CB-CD2 4.19Å
36	L	91.4	Very high	85.2	Confident	37 Å²	37	81 Å²	81	19%	0.194	41%	0.409	C	S	.	.	H	α-helix	trans	-61.3	-44.1	176.2	-178.8	67.1	0	0	0	111.3	I32 V34 K40 H164 L167 T168 I171	I32-L36 WeakPolarHBondContact O-CB 3.1Å; I32-L36 PolarHBondContact O-N 2.74Å; V34-L36 VanDerWaalsContact C-N 3.34Å; V34-L36 PolarHBondContact O-N 3.42Å; L36-K40 WeakPolarHBondContact O-CB 3.27Å; L36-K40 PolarHBondContact O-N 3.06Å; L36-H164 VanDerWaalsContact CD1-CE1 3.44Å; L36-H164 WeakPolarHBondContact CD1-CE1 3.2Å; L36-H164 WeakPolarHBondContact CD1-ND1 3.46Å; L36-H164 WeakPolarHBondContact CD1-O 3.43Å; L36-L167 HydrophobicContact CB-CB 4.29Å; L36-L167 HydrophobicContact CB-CD1 4.46Å; L36-L167 HydrophobicContact CD1-CB 3.73Å; L36-T168 WeakPolarHBondContact CD1-OG1 3.48Å; L36-I171 HydrophobicContact CB-CD1 4.08Å; L36-I171 HydrophobicContact CD2-CD1 3.64Å; L36-I171 HydrophobicContact CG-CD1 4.42Å
37	K	93.5	Very high	87.2	Confident	141 Å²	141	75.3 Å²	75.3	61%	0.613	38%	0.383	S	S	*	.	H	α-helix	trans	-63.7	-50.1	178	-175.1	-177.2	176.8	-173.9	0	111.7	E33 V34 L35 N39 K40 D41	E33-K37 PolarHBondContact O-N 2.95Å; E33-K37 VanDerWaalsContact O-N 3.11Å; V34-K37 PolarHBondContact O-N 3.33Å; L35-K37 VanDerWaalsContact C-N 3.34Å; L35-K37 PolarHBondContact O-N 3.34Å; K37-N39 VanDerWaalsContact C-N 3.29Å; K37-N39 PolarHBondContact O-N 3.46Å; K37-K40 WeakPolarHBondContact O-CB 3.44Å; K37-K40 PolarHBondContact O-N 2.97Å; K37-K40 VanDerWaalsContact O-N 3.14Å; K37-D41 PolarHBondContact O-N 2.97Å
38	E	92.1	Very high	89.2	Confident	77 Å²	77	72.8 Å²	72.8	36%	0.36	37%	0.369	S	S	.	.	H	α-helix	trans	-59.5	-42.1	178.6	-71.9	179.9	171.8	0	0	111.4	K30 V34 L35 K40 D41 L42	K30-E38 IonicContact NZ-OE1 2.83Å; K30-E38 PolarHBondContact NZ-OE1 3.47Å; K30-E38 IonicContact NZ-OE2 2.71Å; K30-E38 PolarHBondContact NZ-OE2 2.84Å; V34-E38 HydrophobicContact CG1-CG 4.44Å; V34-E38 WeakPolarHBondContact O-CG 3.43Å; V34-E38 PolarHBondContact O-N 3.46Å; L35-E38 PolarHBondContact O-N 2.98Å; E38-K40 VanDerWaalsContact C-N 3.35Å; E38-K40 PolarHBondContact O-N 2.9Å; E38-D41 PolarHBondContact O-N 3.33Å; E38-L42 WeakPolarHBondContact O-CG 3.46Å; E38-L42 PolarHBondContact O-N 2.86Å
39	N	91.8	Very high	90.8	Very high	4 Å²	4	71.4 Å²	71.4	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-63.8	-39.9	176.8	-174.8	-78.6	0	0	0	112.3	L35 K37 D41 L42 L43 H160 K163 H164 L167	L35-N39 WeakPolarHBondContact O-CB 3.43Å; L35-N39 PolarHBondContact O-N 3.46Å; K37-N39 VanDerWaalsContact C-N 3.29Å; K37-N39 PolarHBondContact O-N 3.46Å; N39-D41 PolarHBondContact O-N 3.24Å; N39-L42 PolarHBondContact O-N 3.02Å; N39-L43 PolarHBondContact O-N 3.07Å; N39-H160 PolarHBondContact ND2-ND1 3.46Å; N39-H160 PolarHBondContact ND2-O 3.45Å; N39-H160 PolarHBondContact OD1-O 2.64Å; N39-K163 WeakPolarHBondContact ND2-CB 3.44Å; N39-K163 WeakPolarHBondContact ND2-CD 3.46Å; N39-K163 WeakPolarHBondContact ND2-CG 3.43Å; N39-H164 VanDerWaalsContact OD1-CB 3.26Å; N39-H164 WeakPolarHBondContact OD1-CB 3.43Å; N39-L167 HydrophobicContact CB-CD1 4.3Å
40	K	95.1	Very high	92.2	Very high	132 Å²	132	66.2 Å²	66.2	57%	0.574	32%	0.321	S	S	*	.	H	α-helix	trans	-61.2	-42.7	174.8	-171.4	179.2	-179.7	176.2	0	112.3	L36 K37 E38 L43 F44	L36-K40 WeakPolarHBondContact O-CB 3.27Å; L36-K40 PolarHBondContact O-N 3.06Å; K37-K40 WeakPolarHBondContact O-CB 3.44Å; K37-K40 PolarHBondContact O-N 2.97Å; K37-K40 VanDerWaalsContact O-N 3.14Å; E38-K40 VanDerWaalsContact C-N 3.35Å; E38-K40 PolarHBondContact O-N 2.9Å; K40-L43 WeakPolarHBondContact O-CB 3.39Å; K40-L43 PolarHBondContact O-N 3.45Å; K40-F44 PolarHBondContact O-N 3.28Å; K40-F44 VanDerWaalsContact O-N 3.11Å
41	D	95.4	Very high	92.9	Very high	98 Å²	98	69 Å²	69	52%	0.524	33%	0.329	S	S	.	.	H	α-helix	trans	-65.5	-40.5	178	-68.6	-21.6	0	0	0	111.2	K37 E38 N39 F44 M45	K37-D41 PolarHBondContact O-N 2.97Å; E38-D41 PolarHBondContact O-N 3.33Å; N39-D41 PolarHBondContact O-N 3.24Å; D41-F44 PolarHBondContact O-N 3.09Å; D41-M45 PolarHBondContact O-N 3.28Å; D41-M45 VanDerWaalsContact O-N 3.09Å
42	L	94.5	Very high	93.3	Very high	67 Å²	67	72.1 Å²	72.1	35%	0.351	33%	0.33	S	S	.	.	H	α-helix	trans	-62.1	-43	173.3	-71.8	173.7	0	0	0	112.2	E38 N39 F44 M45 L46	E38-L42 WeakPolarHBondContact O-CG 3.46Å; E38-L42 PolarHBondContact O-N 2.86Å; N39-L42 PolarHBondContact O-N 3.02Å; L42-F44 PolarHBondContact O-N 3.24Å; L42-M45 HydrophobicContact CD2-CE 3.62Å; L42-M45 PolarHBondContact O-N 3.25Å; L42-L46 WeakPolarHBondContact O-CB 3.48Å; L42-L46 VanDerWaalsContact O-CG 3.29Å; L42-L46 WeakPolarHBondContact O-CG 3.38Å; L42-L46 PolarHBondContact O-N 3.44Å
43	L	95	Very high	93.8	Very high	15 Å²	15	74 Å²	74	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-57.6	-47.5	175.9	-85.2	172.9	0	0	0	112.2	N39 K40 M45 L46 E47 Y157 H160 L161 H164	N39-L43 PolarHBondContact O-N 3.07Å; K40-L43 WeakPolarHBondContact O-CB 3.39Å; K40-L43 PolarHBondContact O-N 3.45Å; L43-M45 VanDerWaalsContact C-N 3.32Å; L43-M45 PolarHBondContact O-N 3.4Å; L43-L46 PolarHBondContact O-N 2.93Å; L43-E47 WeakPolarHBondContact O-CB 3.38Å; L43-E47 PolarHBondContact O-N 3.04Å; L43-Y157 HydrophobicContact CD2-CD2 3.74Å; L43-Y157 HydrophobicContact CD2-CE2 3.64Å; L43-Y157 HydrophobicContact CD2-CG 4.35Å; L43-Y157 WeakPolarHBondContact CD2-O 3.21Å; L43-H160 HydrophobicContact CD2-CB 3.81Å; L43-H160 HydrophobicContact CG-CB 3.94Å; L43-L161 HydrophobicContact CD1-CD1 4.49Å; L43-L161 HydrophobicContact CD2-CB 4.06Å; L43-H164 HydrophobicContact CD1-CB 3.68Å
44	F	95.9	Very high	94.2	Very high	141 Å²	141	72.3 Å²	72.3	62%	0.618	33%	0.33	S	S	*	.	H	α-helix	trans	-60.9	-41.9	177.7	-178.2	-99.9	0	0	0	111.9	K40 D41 L42 K48	K40-F44 PolarHBondContact O-N 3.28Å; K40-F44 VanDerWaalsContact O-N 3.11Å; D41-F44 PolarHBondContact O-N 3.09Å; L42-F44 PolarHBondContact O-N 3.24Å; F44-K48 WeakPolarHBondContact O-CB 3.48Å; F44-K48 PolarHBondContact O-N 3.08Å; F44-K48 VanDerWaalsContact O-N 3.1Å
45	M	96.1	Very high	94.5	Very high	87 Å²	87	71.9 Å²	71.9	43%	0.429	33%	0.333	S	S	.	.	H	α-helix	trans	-65.1	-44.4	177.1	-177.1	-104.4	-67.9	0	0	112.2	D41 L42 L43 K48 N49	D41-M45 PolarHBondContact O-N 3.28Å; D41-M45 VanDerWaalsContact O-N 3.09Å; L42-M45 HydrophobicContact CD2-CE 3.62Å; L42-M45 PolarHBondContact O-N 3.25Å; L43-M45 VanDerWaalsContact C-N 3.32Å; L43-M45 PolarHBondContact O-N 3.4Å; M45-K48 PolarHBondContact O-N 3.04Å; M45-N49 VanDerWaalsContact O-CG 3.3Å; M45-N49 PolarHBondContact O-N 2.96Å; M45-N49 PolarHBondContact O-ND2 2.71Å; M45-N49 PolarHBondContact SD-ND2 2.85Å; M45-N49 VanDerWaalsContact SD-ND2 3.35Å
46	L	94.9	Very high	94.8	Very high	14 Å²	14	75.7 Å²	75.7	7%	0.073	35%	0.349	C	S	.	.	H	α-helix	trans	-65.1	-43.3	177.8	-73.8	166.4	0	0	0	111.7	L42 L43 K48 N49 V50 Y157 H160	L42-L46 WeakPolarHBondContact O-CB 3.48Å; L42-L46 VanDerWaalsContact O-CG 3.29Å; L42-L46 WeakPolarHBondContact O-CG 3.38Å; L42-L46 PolarHBondContact O-N 3.44Å; L43-L46 PolarHBondContact O-N 2.93Å; L46-K48 VanDerWaalsContact C-N 3.35Å; L46-K48 PolarHBondContact O-N 3.33Å; L46-N49 WeakPolarHBondContact O-CB 3.4Å; L46-N49 PolarHBondContact O-N 3.23Å; L46-N49 VanDerWaalsContact O-N 3.12Å; L46-V50 WeakPolarHBondContact O-CG2 3.22Å; L46-V50 PolarHBondContact O-N 3.33Å; L46-Y157 HydrophobicContact CB-CD2 4Å; L46-H160 HydrophobicContact CD1-CB 4.36Å; L46-H160 VanDerWaalsContact CD1-CD2 3.47Å; L46-H160 WeakPolarHBondContact CD1-CD2 3.35Å
47	E	94.8	Very high	95.1	Very high	50 Å²	50	74.5 Å²	74.5	23%	0.234	34%	0.343	C	S	.	.	H	α-helix	trans	-57.6	-48.2	175.4	-173.2	-177.9	-169.2	0	0	111.3	L43 N49 V50 R51 Y157	L43-E47 WeakPolarHBondContact O-CB 3.38Å; L43-E47 PolarHBondContact O-N 3.04Å; E47-N49 VanDerWaalsContact C-N 3.26Å; E47-N49 PolarHBondContact O-N 2.69Å; E47-V50 PolarHBondContact O-N 3.34Å; E47-R51 WeakPolarHBondContact O-CG 3.46Å; E47-R51 PolarHBondContact O-N 3.38Å; E47-R51 IonicContact OE1-CZ 3.3Å; E47-R51 VanDerWaalsContact OE1-CZ 3.3Å; E47-R51 IonicContact OE1-NE 3.37Å; E47-R51 PolarHBondContact OE1-NE 2.82Å; E47-R51 IonicContact OE1-NH2 2.63Å; E47-R51 PolarHBondContact OE1-NH2 3.3Å; E47-R51 IonicContact OE2-NH2 4Å; E47-Y157 HydrophobicContact CB-CD2 4.27Å; E47-Y157 HydrophobicContact CB-CE2 3.84Å; E47-Y157 HydrophobicContact CG-CE2 4.44Å
48	K	96.5	Very high	95.2	Very high	102 Å²	102	74.3 Å²	74.3	44%	0.443	34%	0.342	S	S	.	.	H	α-helix	trans	-59.2	-39.4	176.7	-169.7	178.6	-170.8	178.6	0	111.6	F44 M45 L46 R51 R52	F44-K48 WeakPolarHBondContact O-CB 3.48Å; F44-K48 PolarHBondContact O-N 3.08Å; F44-K48 VanDerWaalsContact O-N 3.1Å; M45-K48 PolarHBondContact O-N 3.04Å; L46-K48 VanDerWaalsContact C-N 3.35Å; L46-K48 PolarHBondContact O-N 3.33Å; K48-R51 PolarHBondContact O-N 2.85Å; K48-R52 VanDerWaalsContact CE-NH2 3.28Å; K48-R52 WeakPolarHBondContact O-CB 3.43Å; K48-R52 VanDerWaalsContact O-CG 3.28Å; K48-R52 WeakPolarHBondContact O-CG 3.16Å; K48-R52 PolarHBondContact O-N 2.87Å
49	N	94.7	Very high	95.5	Very high	41 Å²	41	77.8 Å²	77.8	22%	0.219	36%	0.356	C	S	.	.	H	α-helix	trans	-66.1	-43.5	176.8	-74.7	-28.9	0	0	0	112.3	M45 L46 E47 R52 R53	M45-N49 VanDerWaalsContact O-CG 3.3Å; M45-N49 PolarHBondContact O-N 2.96Å; M45-N49 PolarHBondContact O-ND2 2.71Å; M45-N49 PolarHBondContact SD-ND2 2.85Å; M45-N49 VanDerWaalsContact SD-ND2 3.35Å; L46-N49 WeakPolarHBondContact O-CB 3.4Å; L46-N49 PolarHBondContact O-N 3.23Å; L46-N49 VanDerWaalsContact O-N 3.12Å; E47-N49 VanDerWaalsContact C-N 3.26Å; E47-N49 PolarHBondContact O-N 2.69Å; N49-R52 PolarHBondContact O-N 2.92Å; N49-R53 WeakPolarHBondContact O-CG 3.31Å; N49-R53 PolarHBondContact O-N 3.14Å
50	V	94.8	Very high	95.6	Very high	1 Å²	1	79 Å²	79	1%	0.006	36%	0.362	C	S	.	.	H	α-helix	trans	-61.6	-46	175.4	173.9	0	0	0	0	110.5	F2 L46 E47 R52 R53 N54 R153 I154	F2-V50 HydrophobicContact CE1-CG1 4.23Å; F2-V50 HydrophobicContact CZ-CB 4.29Å; F2-V50 HydrophobicContact CZ-CG1 3.66Å; L46-V50 WeakPolarHBondContact O-CG2 3.22Å; L46-V50 PolarHBondContact O-N 3.33Å; E47-V50 PolarHBondContact O-N 3.34Å; V50-R52 PolarHBondContact O-N 2.94Å; V50-R53 PolarHBondContact O-N 3.45Å; V50-N54 PolarHBondContact O-N 2.98Å; V50-N54 PolarHBondContact O-ND2 3.12Å; V50-R153 HydrophobicContact CG2-CB 3.91Å; V50-I154 HydrophobicContact CG1-CD1 4.33Å; V50-I154 HydrophobicContact CG1-CG1 3.93Å; V50-I154 HydrophobicContact CG2-CG1 3.94Å
51	R	95.6	Very high	95.6	Very high	157 Å²	157	75.6 Å²	75.6	59%	0.592	35%	0.347	S	S	*	.	H	α-helix	trans	-58.8	-44.6	176.3	-69.5	177.8	-174.8	-167.6	1.4	112.3	E47 K48 N54 A55	E47-R51 WeakPolarHBondContact O-CG 3.46Å; E47-R51 PolarHBondContact O-N 3.38Å; E47-R51 IonicContact OE1-CZ 3.3Å; E47-R51 VanDerWaalsContact OE1-CZ 3.3Å; E47-R51 IonicContact OE1-NE 3.37Å; E47-R51 PolarHBondContact OE1-NE 2.82Å; E47-R51 IonicContact OE1-NH2 2.63Å; E47-R51 PolarHBondContact OE1-NH2 3.3Å; E47-R51 IonicContact OE2-NH2 4Å; K48-R51 PolarHBondContact O-N 2.85Å; R51-N54 PolarHBondContact O-N 3.43Å; R51-A55 PolarHBondContact O-N 3.18Å
52	R	96	Very high	95.7	Very high	145 Å²	145	74.7 Å²	74.7	55%	0.547	34%	0.342	S	S	.	.	H	α-helix	trans	-62.2	-43.3	176.3	-76	169.9	173.6	175.1	-9.3	112.3	K48 N49 V50 A55 K56	K48-R52 VanDerWaalsContact CE-NH2 3.28Å; K48-R52 WeakPolarHBondContact O-CB 3.43Å; K48-R52 VanDerWaalsContact O-CG 3.28Å; K48-R52 WeakPolarHBondContact O-CG 3.16Å; K48-R52 PolarHBondContact O-N 2.87Å; N49-R52 PolarHBondContact O-N 2.92Å; V50-R52 PolarHBondContact O-N 2.94Å; R52-A55 PolarHBondContact O-N 3.37Å; R52-K56 PolarHBondContact O-N 2.05Å
53	R	94.9	Very high	95.7	Very high	70 Å²	70	76.3 Å²	76.3	26%	0.264	35%	0.351	S	S	.	.	H	α-helix	trans	-64.5	-41.7	177	-72.6	-76.1	-179.6	-176.4	0.2	111.5	N49 V50 A55 K56 L57 D146 K150	N49-R53 WeakPolarHBondContact O-CG 3.31Å; N49-R53 PolarHBondContact O-N 3.14Å; V50-R53 PolarHBondContact O-N 3.45Å; R53-A55 VanDerWaalsContact C-N 3.32Å; R53-A55 PolarHBondContact O-N 3.47Å; R53-K56 WeakPolarHBondContact O-CB 3.33Å; R53-K56 PolarHBondContact O-N 3.09Å; R53-K56 VanDerWaalsContact O-N 3.16Å; R53-L57 WeakPolarHBondContact O-CB 3.43Å; R53-L57 WeakPolarHBondContact O-CG 3.46Å; R53-L57 PolarHBondContact O-N 3.36Å; R53-D146 IonicContact CZ-OD1 2.68Å; R53-D146 IonicContact NH1-OD1 3.34Å; R53-D146 PolarHBondContact NH1-OD1 2.98Å; R53-K150 HydrophobicContact CB-CB 4.21Å
54	N	95.4	Very high	95.6	Very high	70 Å²	70	76 Å²	76	37%	0.374	35%	0.349	S	S	.	.	H	α-helix	trans	-58.7	-44.1	173.5	-74.1	-23.1	0	0	0	111.8	V50 R51 K56 L57 K58 K150	V50-N54 PolarHBondContact O-N 2.98Å; V50-N54 PolarHBondContact O-ND2 3.12Å; R51-N54 PolarHBondContact O-N 3.43Å; N54-K56 VanDerWaalsContact C-N 3.34Å; N54-K56 PolarHBondContact O-N 2.84Å; N54-L57 PolarHBondContact O-N 2.91Å; N54-K58 WeakPolarHBondContact O-CB 3.49Å; N54-K58 PolarHBondContact O-N 2.83Å; N54-K150 WeakPolarHBondContact OD1-CD 3.42Å
55	A	96.8	Very high	95.5	Very high	53 Å²	53	70.7 Å²	70.7	44%	0.438	33%	0.327	S	S	.	.	H	α-helix	trans	-64.2	-38.5	176	0	0	0	0	0	112.4	R51 R52 R53 K59	R51-A55 PolarHBondContact O-N 3.18Å; R52-A55 PolarHBondContact O-N 3.37Å; R53-A55 VanDerWaalsContact C-N 3.32Å; R53-A55 PolarHBondContact O-N 3.47Å; A55-K59 WeakPolarHBondContact O-CG 3.38Å; A55-K59 PolarHBondContact O-N 2.92Å
56	K	96	Very high	95.3	Very high	87 Å²	87	73.1 Å²	73.1	38%	0.378	34%	0.337	S	S	.	.	H	α-helix	trans	-64.1	-49.3	175.5	-171.2	-172.3	178.6	-161.9	0	111.5	R52 R53 N54 K58 K59 Q60 D146	R52-K56 PolarHBondContact O-N 2.05Å; R53-K56 WeakPolarHBondContact O-CB 3.33Å; R53-K56 PolarHBondContact O-N 3.09Å; R53-K56 VanDerWaalsContact O-N 3.16Å; N54-K56 VanDerWaalsContact C-N 3.34Å; N54-K56 PolarHBondContact O-N 2.84Å; K56-K58 VanDerWaalsContact C-N 3.29Å; K56-K58 PolarHBondContact O-N 3.36Å; K56-K59 WeakPolarHBondContact O-CB 3.45Å; K56-K59 PolarHBondContact O-N 3.17Å; K56-K59 VanDerWaalsContact O-N 3.12Å; K56-Q60 PolarHBondContact O-N 3.36Å; K56-D146 WeakPolarHBondContact CE-OD2 3.45Å; K56-D146 IonicContact NZ-OD1 2.73Å; K56-D146 PolarHBondContact NZ-OD1 3.14Å; K56-D146 IonicContact NZ-OD2 3.31Å; K56-D146 PolarHBondContact NZ-OD2 2.94Å
57	L	96.5	Very high	95.1	Very high	13 Å²	13	78.3 Å²	78.3	7%	0.068	36%	0.359	C	S	.	.	H	α-helix	trans	-60	-39.3	177.8	-77	171.5	0	0	0	112	R53 N54 Q60 K61 L143 D146 I147 K150	R53-L57 WeakPolarHBondContact O-CB 3.43Å; R53-L57 WeakPolarHBondContact O-CG 3.46Å; R53-L57 PolarHBondContact O-N 3.36Å; N54-L57 PolarHBondContact O-N 2.91Å; L57-Q60 PolarHBondContact O-N 3.07Å; L57-K61 VanDerWaalsContact O-CB 3.31Å; L57-K61 WeakPolarHBondContact O-CB 3.48Å; L57-K61 PolarHBondContact O-N 3.41Å; L57-L143 HydrophobicContact CD2-CD1 3.67Å; L57-D146 HydrophobicContact CD2-CB 3.55Å; L57-D146 HydrophobicContact CG-CB 4.26Å; L57-I147 HydrophobicContact CD1-CG1 4.24Å; L57-I147 HydrophobicContact CD2-CG1 3.75Å; L57-K150 HydrophobicContact CD1-CB 4.05Å; L57-K150 HydrophobicContact CD1-CD 3.58Å; L57-K150 VanDerWaalsContact CD1-CE 3.44Å; L57-K150 HydrophobicContact CD1-CG 4.34Å
58	K	97.1	Very high	94.8	Very high	137 Å²	137	77.1 Å²	77.1	60%	0.596	35%	0.353	S	S	*	.	H	α-helix	trans	-59	-48.2	173.9	-176.3	176.3	177.8	-179.7	0	111.4	N54 K56 Q60 K61 D62	N54-K58 WeakPolarHBondContact O-CB 3.49Å; N54-K58 PolarHBondContact O-N 2.83Å; K56-K58 VanDerWaalsContact C-N 3.29Å; K56-K58 PolarHBondContact O-N 3.36Å; K58-Q60 VanDerWaalsContact C-N 3.34Å; K58-Q60 PolarHBondContact O-N 2.95Å; K58-K61 WeakPolarHBondContact O-CB 3.22Å; K58-K61 PolarHBondContact O-N 3.19Å; K58-D62 PolarHBondContact O-N 3.34Å
59	K	96.8	Very high	94.4	Very high	149 Å²	149	79.9 Å²	79.9	65%	0.648	37%	0.365	S	S	*	.	H	α-helix	trans	-61	-42.3	177.4	-69.7	179.4	178.6	-171.6	0	112.3	A55 K56 D62 L63	A55-K59 WeakPolarHBondContact O-CG 3.38Å; A55-K59 PolarHBondContact O-N 2.92Å; K56-K59 WeakPolarHBondContact O-CB 3.45Å; K56-K59 PolarHBondContact O-N 3.17Å; K56-K59 VanDerWaalsContact O-N 3.12Å; K59-D62 PolarHBondContact O-N 2.95Å; K59-L63 WeakPolarHBondContact O-CG 3.49Å; K59-L63 PolarHBondContact O-N 2.99Å
60	Q	95.7	Very high	94	Very high	30 Å²	30	85.6 Å²	85.6	14%	0.14	40%	0.396	C	S	.	.	H	α-helix	trans	-64.6	-45.2	177.3	-73.4	168.7	-53.5	0	0	111.9	K56 L57 K58 D62 L63 I64 L143 D146	K56-Q60 PolarHBondContact O-N 3.36Å; L57-Q60 PolarHBondContact O-N 3.07Å; K58-Q60 VanDerWaalsContact C-N 3.34Å; K58-Q60 PolarHBondContact O-N 2.95Å; Q60-D62 VanDerWaalsContact C-N 3.31Å; Q60-D62 PolarHBondContact O-N 3.41Å; Q60-L63 PolarHBondContact O-N 2.97Å; Q60-I64 WeakPolarHBondContact O-CG1 3.24Å; Q60-I64 PolarHBondContact O-N 2.97Å; Q60-L143 HydrophobicContact CB-CD1 3.98Å; Q60-D146 PolarHBondContact NE2-OD2 3.34Å; Q60-D146 PolarHBondContact OE1-OD2 2.89Å
61	K	95.4	Very high	93.6	Very high	60 Å²	60	90.1 Å²	90.1	26%	0.261	42%	0.417	S	S	.	.	H	α-helix	trans	-52.8	-50.6	172.5	168.6	179	155.1	146.3	0	111	L57 K58 L63 I64 N65 I75 D76 I79	L57-K61 VanDerWaalsContact O-CB 3.31Å; L57-K61 WeakPolarHBondContact O-CB 3.48Å; L57-K61 PolarHBondContact O-N 3.41Å; K58-K61 WeakPolarHBondContact O-CB 3.22Å; K58-K61 PolarHBondContact O-N 3.19Å; K61-L63 PolarHBondContact O-N 3.12Å; K61-I64 PolarHBondContact O-N 3.16Å; K61-N65 WeakPolarHBondContact O-CB 3.11Å; K61-N65 PolarHBondContact O-N 3.16Å; K61-I75 HydrophobicContact CG-CG2 4.16Å; K61-D76 WeakPolarHBondContact CD-OD1 3.28Å; K61-D76 WeakPolarHBondContact CE-OD1 3.38Å; K61-D76 IonicContact NZ-OD1 2.85Å; K61-D76 PolarHBondContact NZ-OD1 3.38Å; K61-D76 IonicContact NZ-OD2 3.55Å; K61-D76 PolarHBondContact NZ-OD2 2.95Å; K61-I79 HydrophobicContact CB-CD1 3.62Å; K61-I79 HydrophobicContact CD-CD1 4Å; K61-I79 HydrophobicContact CG-CD1 3.85Å
62	D	96.2	Very high	93.2	Very high	79 Å²	79	90.1 Å²	90.1	42%	0.422	43%	0.429	S	S	.	.	H	α-helix	trans	-62.4	-43.5	-176.7	-64	-20.1	0	0	0	111	K58 K59 Q60 N65 E66	K58-D62 PolarHBondContact O-N 3.34Å; K59-D62 PolarHBondContact O-N 2.95Å; Q60-D62 VanDerWaalsContact C-N 3.31Å; Q60-D62 PolarHBondContact O-N 3.41Å; D62-N65 PolarHBondContact O-N 2.97Å; D62-E66 WeakPolarHBondContact O-CB 3.26Å; D62-E66 PolarHBondContact O-N 3.42Å
63	L	94.1	Very high	92.8	Very high	102 Å²	102	87.7 Å²	87.7	53%	0.534	42%	0.422	S	S	.	.	H	α-helix	trans	-64.5	-41.1	176.5	-71	170.1	0	0	0	113.3	K59 Q60 K61 E66 K67	K59-L63 WeakPolarHBondContact O-CG 3.49Å; K59-L63 PolarHBondContact O-N 2.99Å; Q60-L63 PolarHBondContact O-N 2.97Å; K61-L63 PolarHBondContact O-N 3.12Å; L63-E66 PolarHBondContact O-N 3.41Å; L63-K67 WeakPolarHBondContact O-CG 3.16Å; L63-K67 PolarHBondContact O-N 2.94Å
64	I	93.1	Very high	92.7	Very high	8 Å²	8	87.9 Å²	87.9	4%	0.041	43%	0.431	C	S	.	.	H	α-helix	trans	-69.3	-42.7	178.6	-68.7	162.7	0	0	0	110.2	Q60 K61 E66 K67 F68 I75 D139 I140 L143	Q60-I64 WeakPolarHBondContact O-CG1 3.24Å; Q60-I64 PolarHBondContact O-N 2.97Å; K61-I64 PolarHBondContact O-N 3.16Å; I64-E66 VanDerWaalsContact C-N 3.28Å; I64-E66 PolarHBondContact O-N 2.75Å; I64-K67 WeakPolarHBondContact O-CB 3.36Å; I64-K67 PolarHBondContact O-N 2.83Å; I64-K67 VanDerWaalsContact O-N 3.14Å; I64-F68 HydrophobicContact CG2-CD2 3.91Å; I64-F68 HydrophobicContact CG2-CE2 3.65Å; I64-F68 HydrophobicContact CG2-CZ 4.07Å; I64-F68 PolarHBondContact O-N 2.7Å; I64-I75 HydrophobicContact CB-CG2 4.34Å; I64-I75 HydrophobicContact CG2-CB 3.86Å; I64-I75 HydrophobicContact CG2-CG1 4.11Å; I64-I75 HydrophobicContact CG2-CG2 4.05Å; I64-D139 HydrophobicContact CD1-CB 4.24Å; I64-D139 HydrophobicContact CG1-CB 4.16Å; I64-I140 HydrophobicContact CD1-CD1 4.13Å; I64-I140 HydrophobicContact CG2-CD1 4.03Å; I64-L143 HydrophobicContact CD1-CB 4.11Å; I64-L143 HydrophobicContact CD1-CD2 3.74Å; I64-L143 HydrophobicContact CD1-CG 4.38Å
65	N	93.7	Very high	92.6	Very high	30 Å²	30	84.6 Å²	84.6	16%	0.16	41%	0.414	C	S	.	.	H	α-helix	trans	-63.1	-34.6	176.1	-78.3	-19.9	0	0	0	112.2	K61 D62 K67 F68 K69 T74 I75 D76	K61-N65 WeakPolarHBondContact O-CB 3.11Å; K61-N65 PolarHBondContact O-N 3.16Å; D62-N65 PolarHBondContact O-N 2.97Å; N65-K67 VanDerWaalsContact C-N 3.34Å; N65-F68 PolarHBondContact O-N 2.95Å; N65-K69 PolarHBondContact O-N 3.49Å; N65-T74 WeakPolarHBondContact OD1-CA 3.47Å; N65-T74 WeakPolarHBondContact OD1-CB 3.36Å; N65-I75 WeakPolarHBondContact OD1-CG2 2.96Å; N65-I75 PolarHBondContact OD1-N 3.45Å; N65-D76 PolarHBondContact ND2-OD1 3.35Å
66	E	93.2	Very high	92.6	Very high	137 Å²	137	84.9 Å²	84.9	64%	0.64	41%	0.408	S	S	*	.	H	α-helix	trans	-61.8	-42	173.1	-173.8	176.1	-173.5	0	0	111.7	D62 L63 I64 K69	D62-E66 WeakPolarHBondContact O-CB 3.26Å; D62-E66 PolarHBondContact O-N 3.42Å; L63-E66 PolarHBondContact O-N 3.41Å; I64-E66 VanDerWaalsContact C-N 3.28Å; I64-E66 PolarHBondContact O-N 2.75Å; E66-K69 VanDerWaalsContact O-CB 3.22Å; E66-K69 WeakPolarHBondContact O-CB 3.39Å; E66-K69 PolarHBondContact O-N 3.42Å
67	K	89.3	Confident	92.5	Very high	123 Å²	123	86.4 Å²	86.4	54%	0.535	42%	0.416	S	S	.	.	H	α-helix	trans	-65.6	-39.1	175.4	-65.7	178.2	-174.2	-173.7	0	112.4	L63 I64 N65 K69 D139	L63-K67 WeakPolarHBondContact O-CG 3.16Å; L63-K67 PolarHBondContact O-N 2.94Å; I64-K67 WeakPolarHBondContact O-CB 3.36Å; I64-K67 PolarHBondContact O-N 2.83Å; I64-K67 VanDerWaalsContact O-N 3.14Å; N65-K67 VanDerWaalsContact C-N 3.34Å; K67-K69 VanDerWaalsContact C-N 3.28Å; K67-K69 PolarHBondContact O-N 3.16Å; K67-D139 IonicContact NZ-OD1 3.58Å; K67-D139 IonicContact NZ-OD2 2.7Å; K67-D139 PolarHBondContact NZ-OD2 2.83Å
68	F	88.6	Confident	92.5	Very high	25 Å²	25	86 Å²	86	11%	0.11	41%	0.414	C	S	.	.	H	α-helix	trans	-81.7	-2.2	179.9	-67.4	-11.4	0	0	0	114.4	I64 N65 N70 E71 N72 K73 I75 I140	I64-F68 HydrophobicContact CG2-CD2 3.91Å; I64-F68 HydrophobicContact CG2-CE2 3.65Å; I64-F68 HydrophobicContact CG2-CZ 4.07Å; I64-F68 PolarHBondContact O-N 2.7Å; N65-F68 PolarHBondContact O-N 2.95Å; F68-N70 PolarHBondContact O-N 3.3Å; F68-N70 VanDerWaalsContact O-N 3.16Å; F68-E71 PolarHBondContact O-N 3.04Å; F68-N72 PolarHBondContact O-N 2.9Å; F68-K73 HydrophobicContact CB-CB 4.46Å; F68-I75 HydrophobicContact CE2-CD1 4.23Å; F68-I140 HydrophobicContact CZ-CD1 4.44Å
69	K	88.4	Confident	92.5	Very high	161 Å²	161	80.8 Å²	80.8	70%	0.7	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-54.8	-37.4	-178.7	-169.4	177.4	-178	-178.7	0	112.8	N65 E66 K67 E71 N72	N65-K69 PolarHBondContact O-N 3.49Å; E66-K69 VanDerWaalsContact O-CB 3.22Å; E66-K69 WeakPolarHBondContact O-CB 3.39Å; E66-K69 PolarHBondContact O-N 3.42Å; K67-K69 VanDerWaalsContact C-N 3.28Å; K67-K69 PolarHBondContact O-N 3.16Å; K69-E71 VanDerWaalsContact C-N 3.28Å; K69-E71 PolarHBondContact O-N 3.39Å; K69-N72 PolarHBondContact O-N 3.24Å
70	N	86.8	Confident	92.5	Very high	160 Å²	160	77.3 Å²	77.3	86%	0.856	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-72.8	-20.3	179.7	-64.4	-23.1	0	0	0	113.4	F68	F68-N70 PolarHBondContact O-N 3.3Å; F68-N70 VanDerWaalsContact O-N 3.16Å
71	E	86.5	Confident	92.5	Very high	97 Å²	97	76 Å²	76	45%	0.453	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-91.8	-0.4	176	-64.2	-176.9	-141.8	0	0	112.6	F68 K69 K73	F68-E71 PolarHBondContact O-N 3.04Å; K69-E71 VanDerWaalsContact C-N 3.28Å; K69-E71 PolarHBondContact O-N 3.39Å; E71-K73 HydrophobicContact CB-CB 4.39Å; E71-K73 HydrophobicContact CB-CD 4.2Å; E71-K73 HydrophobicContact CB-CG 4.32Å; E71-K73 PolarHBondContact O-N 2.96Å; E71-K73 IonicContact OE2-NZ 2.62Å; E71-K73 PolarHBondContact OE2-NZ 2.87Å
72	N	86.2	Confident	92.6	Very high	156 Å²	156	73.1 Å²	73.1	83%	0.834	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	38.7	-172.5	-162.6	37.3	0	0	0	112.9	F68 K69	F68-N72 PolarHBondContact O-N 2.9Å; K69-N72 PolarHBondContact O-N 3.24Å
73	K	87.7	Confident	92.6	Very high	95 Å²	95	70.1 Å²	70.1	41%	0.413	35%	0.348	S	S	.	.			trans	-121.6	160.3	-180	-73.4	175.5	-172.3	166.1	0	111.1	F68 E71	F68-K73 HydrophobicContact CB-CB 4.46Å; E71-K73 HydrophobicContact CB-CB 4.39Å; E71-K73 HydrophobicContact CB-CD 4.2Å; E71-K73 HydrophobicContact CB-CG 4.32Å; E71-K73 PolarHBondContact O-N 2.96Å; E71-K73 IonicContact OE2-NZ 2.62Å; E71-K73 PolarHBondContact OE2-NZ 2.87Å
74	T	92.6	Very high	92.7	Very high	74 Å²	74	67.8 Å²	67.8	45%	0.454	33%	0.333	S	S	.	.			trans	-133.1	155	171.7	73.6	0	0	0	0	110.6	N65 D76	N65-T74 WeakPolarHBondContact OD1-CA 3.47Å; N65-T74 WeakPolarHBondContact OD1-CB 3.36Å; T74-D76 PolarHBondContact O-N 2.89Å
75	I	94.5	Very high	92.9	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.005	34%	0.335	C	S	.	.	S	Bend	trans	-83.5	5.7	176.1	-161.4	60.7	0	0	0	112.6	K61 I64 N65 F68 Q77 F78 I79 I133 I140 L143	K61-I75 HydrophobicContact CG-CG2 4.16Å; I64-I75 HydrophobicContact CB-CG2 4.34Å; I64-I75 HydrophobicContact CG2-CB 3.86Å; I64-I75 HydrophobicContact CG2-CG1 4.11Å; I64-I75 HydrophobicContact CG2-CG2 4.05Å; N65-I75 WeakPolarHBondContact OD1-CG2 2.96Å; N65-I75 PolarHBondContact OD1-N 3.45Å; F68-I75 HydrophobicContact CE2-CD1 4.23Å; I75-Q77 PolarHBondContact O-N 3.28Å; I75-F78 HydrophobicContact CD1-CB 3.61Å; I75-F78 HydrophobicContact CD1-CD1 3.7Å; I75-F78 HydrophobicContact CD1-CG 3.8Å; I75-F78 HydrophobicContact CG1-CB 4.09Å; I75-F78 HydrophobicContact CG1-CD1 3.87Å; I75-F78 HydrophobicContact CG1-CG 4.33Å; I75-F78 WeakPolarHBondContact O-CB 3.45Å; I75-F78 PolarHBondContact O-N 2.95Å; I75-I79 HydrophobicContact CG1-CG1 4.36Å; I75-I79 HydrophobicContact CG2-CD1 3.66Å; I75-I79 HydrophobicContact CG2-CG1 4.24Å; I75-I79 WeakPolarHBondContact O-CG1 3.35Å; I75-I79 PolarHBondContact O-N 2.98Å; I75-I133 HydrophobicContact CD1-CG2 3.3Å; I75-I140 HydrophobicContact CD1-CD1 3.6Å; I75-I140 HydrophobicContact CG1-CD1 4.15Å; I75-L143 HydrophobicContact CG1-CD2 3.71Å
76	D	95.5	Very high	93	Very high	58 Å²	58	67.1 Å²	67.1	31%	0.31	33%	0.329	S	S	.	.	H	α-helix	trans	-65.1	-42	-168.1	-74.1	3.2	0	0	0	112.7	K61 N65 T74 I79 D80	K61-D76 WeakPolarHBondContact CD-OD1 3.28Å; K61-D76 WeakPolarHBondContact CE-OD1 3.38Å; K61-D76 IonicContact NZ-OD1 2.85Å; K61-D76 PolarHBondContact NZ-OD1 3.38Å; K61-D76 IonicContact NZ-OD2 3.55Å; K61-D76 PolarHBondContact NZ-OD2 2.95Å; N65-D76 PolarHBondContact ND2-OD1 3.35Å; T74-D76 PolarHBondContact O-N 2.89Å; D76-I79 PolarHBondContact O-N 3.08Å; D76-D80 WeakPolarHBondContact O-CB 3.48Å; D76-D80 PolarHBondContact O-N 2.73Å
77	Q	95.3	Very high	93.1	Very high	120 Å²	120	61.3 Å²	61.3	56%	0.561	31%	0.305	S	S	*	.	H	α-helix	trans	-66	-38.9	177.9	-67.3	-179.6	-41.3	0	0	111.7	I75 C81 Y132	I75-Q77 PolarHBondContact O-N 3.28Å; Q77-C81 VanDerWaalsContact O-CB 3.26Å; Q77-C81 WeakPolarHBondContact O-CB 3.47Å; Q77-C81 PolarHBondContact O-N 3.23Å; Q77-Y132 HydrophobicContact CB-CD1 3.55Å; Q77-Y132 HydrophobicContact CB-CD2 4.1Å; Q77-Y132 HydrophobicContact CB-CE1 3.88Å; Q77-Y132 HydrophobicContact CB-CE2 4.39Å; Q77-Y132 HydrophobicContact CB-CG 3.69Å; Q77-Y132 HydrophobicContact CG-CD1 4.33Å; Q77-Y132 HydrophobicContact CG-CE1 4.39Å
78	F	96	Very high	93.4	Very high	3 Å²	3	55.5 Å²	55.5	1%	0.013	28%	0.28	C	S	.	.	H	α-helix	trans	-61.4	-49.2	173	173.3	-97.5	0	0	0	111.3	I75 D80 C81 A82 C129 I133 I140 L143 Y144	I75-F78 HydrophobicContact CD1-CB 3.61Å; I75-F78 HydrophobicContact CD1-CD1 3.7Å; I75-F78 HydrophobicContact CD1-CG 3.8Å; I75-F78 HydrophobicContact CG1-CB 4.09Å; I75-F78 HydrophobicContact CG1-CD1 3.87Å; I75-F78 HydrophobicContact CG1-CG 4.33Å; I75-F78 WeakPolarHBondContact O-CB 3.45Å; I75-F78 PolarHBondContact O-N 2.95Å; F78-D80 VanDerWaalsContact C-N 3.34Å; F78-D80 PolarHBondContact O-N 2.87Å; F78-C81 PolarHBondContact O-N 3.34Å; F78-A82 HydrophobicContact CZ-CB 4.49Å; F78-A82 VanDerWaalsContact O-CB 3.24Å; F78-A82 WeakPolarHBondContact O-CB 3.28Å; F78-A82 PolarHBondContact O-N 3.25Å; F78-C129 HydrophobicContact CD2-CB 4.5Å; F78-C129 WeakPolarHBondContact CD2-O 3.41Å; F78-I133 HydrophobicContact CB-CG2 3.96Å; F78-I133 HydrophobicContact CD2-CD1 4.17Å; F78-I133 HydrophobicContact CD2-CG1 4.38Å; F78-I133 HydrophobicContact CD2-CG2 3.82Å; F78-I133 HydrophobicContact CE2-CD1 3.92Å; F78-I133 HydrophobicContact CE2-CG2 4.49Å; F78-I133 HydrophobicContact CG-CG2 3.87Å; F78-I140 HydrophobicContact CE1-CG2 3.93Å; F78-I140 HydrophobicContact CE2-CG2 4.3Å; F78-I140 HydrophobicContact CZ-CG2 3.73Å; F78-L143 HydrophobicContact CD1-CD2 4.05Å; F78-L143 HydrophobicContact CE1-CD2 4.02Å; F78-L143 HydrophobicContact CE1-CG 4.5Å; F78-Y144 AromaticContact CZ-CD2 3.99Å; F78-Y144 HydrophobicContact CZ-CD2 3.99Å
79	I	96.5	Very high	93.7	Very high	28 Å²	28	58.1 Å²	58.1	14%	0.144	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-43.5	-179.7	-70	176.5	0	0	0	111.3	K61 I75 D76 S83 L143 I147	K61-I79 HydrophobicContact CB-CD1 3.62Å; K61-I79 HydrophobicContact CD-CD1 4Å; K61-I79 HydrophobicContact CG-CD1 3.85Å; I75-I79 HydrophobicContact CG1-CG1 4.36Å; I75-I79 HydrophobicContact CG2-CD1 3.66Å; I75-I79 HydrophobicContact CG2-CG1 4.24Å; I75-I79 WeakPolarHBondContact O-CG1 3.35Å; I75-I79 PolarHBondContact O-N 2.98Å; D76-I79 PolarHBondContact O-N 3.08Å; I79-S83 WeakPolarHBondContact O-CB 3.48Å; I79-S83 PolarHBondContact O-N 3.48Å; I79-S83 PolarHBondContact O-OG 2.78Å; I79-L143 HydrophobicContact CD1-CD1 4.13Å; I79-L143 HydrophobicContact CD1-CD2 3.97Å; I79-L143 HydrophobicContact CG1-CD1 4.37Å; I79-L143 HydrophobicContact CG1-CD2 3.77Å; I79-L143 HydrophobicContact CG1-CG 4.38Å; I79-I147 HydrophobicContact CB-CD1 4.42Å; I79-I147 HydrophobicContact CG1-CD1 4.27Å; I79-I147 HydrophobicContact CG2-CD1 4.27Å
80	D	96.4	Very high	93.9	Very high	77 Å²	77	50.9 Å²	50.9	41%	0.412	26%	0.262	S	S	.	.	H	α-helix	trans	-63.7	-49.8	178.2	-176.8	63	0	0	0	111.2	D76 F78 S83 K84	D76-D80 WeakPolarHBondContact O-CB 3.48Å; D76-D80 PolarHBondContact O-N 2.73Å; F78-D80 VanDerWaalsContact C-N 3.34Å; F78-D80 PolarHBondContact O-N 2.87Å; D80-S83 PolarHBondContact O-N 3.47Å; D80-K84 WeakPolarHBondContact O-CG 3.47Å; D80-K84 PolarHBondContact O-N 2.68Å; D80-K84 WeakPolarHBondContact OD1-CE 3.23Å; D80-K84 IonicContact OD1-NZ 3.49Å; D80-K84 PolarHBondContact OD1-NZ 3.34Å; D80-K84 WeakPolarHBondContact OD2-CE 3.23Å; D80-K84 IonicContact OD2-NZ 3.89Å; D80-K84 PolarHBondContact OD2-NZ 2.85Å
81	C	96.8	Very high	94.1	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.014	22%	0.224	C	C	.	.	H	α-helix	trans	-58.6	-53.5	177.6	-173.6	0	0	0	0	111.7	Q77 F78 S83 K84 L85 Y124 C129 Y132	Q77-C81 VanDerWaalsContact O-CB 3.26Å; Q77-C81 WeakPolarHBondContact O-CB 3.47Å; Q77-C81 PolarHBondContact O-N 3.23Å; F78-C81 PolarHBondContact O-N 3.34Å; C81-S83 VanDerWaalsContact C-N 3.31Å; C81-S83 PolarHBondContact O-N 2.85Å; C81-K84 PolarHBondContact O-N 3Å; C81-K84 VanDerWaalsContact O-N 3.17Å; C81-L85 PolarHBondContact O-N 2.97Å; C81-Y124 HydrophobicContact CB-CD1 4.46Å; C81-C129 HydrophobicContact CB-CB 3.79Å; C81-C129 WeakPolarHBondContact CB-SG 3.26Å; C81-C129 WeakPolarHBondContact SG-CA 3.2Å; C81-C129 WeakPolarHBondContact SG-CB 3.31Å; C81-C129 PolarHBondContact SG-N 3.25Å; C81-C129 CovalentContact SG-SG 2.05Å; C81-C129 PolarHBondContact SG-SG 3.31Å; C81-Y132 HydrophobicContact CB-CD2 4.12Å; C81-Y132 HydrophobicContact CB-CE2 3.93Å
82	A	96.6	Very high	94.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-37	-179.1	0	0	0	0	0	111.9	F78 N86 Y144 I147	F78-A82 HydrophobicContact CZ-CB 4.49Å; F78-A82 VanDerWaalsContact O-CB 3.24Å; F78-A82 WeakPolarHBondContact O-CB 3.28Å; F78-A82 PolarHBondContact O-N 3.25Å; A82-N86 WeakPolarHBondContact O-CB 3.46Å; A82-N86 PolarHBondContact O-N 2.94Å; A82-N86 VanDerWaalsContact O-N 3.07Å; A82-N86 PolarHBondContact O-ND2 2.83Å; A82-Y144 HydrophobicContact CB-CD2 4.06Å; A82-Y144 HydrophobicContact CB-CE2 4.16Å; A82-I147 HydrophobicContact CB-CD1 3.98Å; A82-I147 HydrophobicContact CB-CG2 4.41Å
83	S	96.8	Very high	94.6	Very high	16 Å²	16	35 Å²	35	11%	0.112	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-42.9	175.3	-65.7	0	0	0	0	111.5	I79 D80 C81 A87 K150	I79-S83 WeakPolarHBondContact O-CB 3.48Å; I79-S83 PolarHBondContact O-N 3.48Å; I79-S83 PolarHBondContact O-OG 2.78Å; D80-S83 PolarHBondContact O-N 3.47Å; C81-S83 VanDerWaalsContact C-N 3.31Å; C81-S83 PolarHBondContact O-N 2.85Å; S83-A87 WeakPolarHBondContact O-CB 3.18Å; S83-A87 PolarHBondContact O-N 3.17Å; S83-K150 PolarHBondContact OG-NZ 3Å; S83-K150 VanDerWaalsContact OG-NZ 3.16Å
84	K	96.6	Very high	94.6	Very high	53 Å²	53	30.6 Å²	30.6	23%	0.23	16%	0.161	C	C	.	.	H	α-helix	trans	-71.8	-39.2	-179.3	-69.1	178.3	-175.2	157.6	0	113	D80 C81 A87 G88 Y124	D80-K84 WeakPolarHBondContact O-CG 3.47Å; D80-K84 PolarHBondContact O-N 2.68Å; D80-K84 WeakPolarHBondContact OD1-CE 3.23Å; D80-K84 IonicContact OD1-NZ 3.49Å; D80-K84 PolarHBondContact OD1-NZ 3.34Å; D80-K84 WeakPolarHBondContact OD2-CE 3.23Å; D80-K84 IonicContact OD2-NZ 3.89Å; D80-K84 PolarHBondContact OD2-NZ 2.85Å; C81-K84 PolarHBondContact O-N 3Å; C81-K84 VanDerWaalsContact O-N 3.17Å; K84-A87 PolarHBondContact O-N 3.37Å; K84-G88 PolarHBondContact O-N 2.91Å; K84-Y124 HydrophobicContact CB-CD1 4.15Å; K84-Y124 HydrophobicContact CB-CD2 3.47Å; K84-Y124 VanDerWaalsContact CB-CD2 3.47Å; K84-Y124 HydrophobicContact CB-CE1 4.28Å; K84-Y124 HydrophobicContact CB-CE2 3.67Å; K84-Y124 HydrophobicContact CB-CG 3.77Å; K84-Y124 HydrophobicContact CD-CD1 4.26Å; K84-Y124 HydrophobicContact CD-CD2 4.1Å; K84-Y124 HydrophobicContact CD-CE1 3.57Å; K84-Y124 HydrophobicContact CD-CE2 3.43Å; K84-Y124 VanDerWaalsContact CD-CE2 3.43Å; K84-Y124 WeakPolarHBondContact CD-OH 3.46Å; K84-Y124 HydrophobicContact CG-CD2 4.44Å; K84-Y124 HydrophobicContact CG-CE2 4.17Å; K84-Y124 PolarHBondContact NZ-OH 3.46Å; K84-Y124 VanDerWaalsContact NZ-OH 3.08Å
85	L	96.1	Very high	94.3	Very high	16 Å²	16	28 Å²	28	8%	0.084	14%	0.144	C	C	.	.	H	α-helix	trans	-55.8	-53.2	170.8	164.7	58.5	0	0	0	110.6	C81 A87 G88 Q89 Y124 A126	C81-L85 PolarHBondContact O-N 2.97Å; L85-A87 PolarHBondContact O-N 2.95Å; L85-G88 PolarHBondContact O-N 3.47Å; L85-Q89 PolarHBondContact O-N 3.07Å; L85-Y124 WeakPolarHBondContact CD1-O 3.18Å; L85-A126 HydrophobicContact CD2-CB 4.32Å
86	N	96.5	Very high	93.8	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-71.3	-30.7	-176.8	-77.4	-69.3	0	0	0	113.1	A82 S90 V148 E151	A82-N86 WeakPolarHBondContact O-CB 3.46Å; A82-N86 PolarHBondContact O-N 2.94Å; A82-N86 VanDerWaalsContact O-N 3.07Å; A82-N86 PolarHBondContact O-ND2 2.83Å; N86-S90 WeakPolarHBondContact O-CB 3.43Å; N86-S90 PolarHBondContact O-N 3.12Å; N86-S90 PolarHBondContact O-OG 3.45Å; N86-V148 WeakPolarHBondContact OD1-CG2 3.18Å; N86-E151 HydrophobicContact CB-CB 4.08Å; N86-E151 HydrophobicContact CB-CG 3.8Å
87	A	95.2	Very high	93.1	Very high	16 Å²	16	39.1 Å²	39.1	13%	0.132	19%	0.186	C	C	.	.	H	α-helix	trans	-65.5	-42.5	171.2	0	0	0	0	0	111.3	S83 K84 L85 G91	S83-A87 WeakPolarHBondContact O-CB 3.18Å; S83-A87 PolarHBondContact O-N 3.17Å; K84-A87 PolarHBondContact O-N 3.37Å; L85-A87 PolarHBondContact O-N 2.95Å; A87-G91 PolarHBondContact O-N 3.43Å
88	G	95.1	Very high	92	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60	-49	173.6	0	0	0	0	0	112.1	K84 L85 G91 L92	K84-G88 PolarHBondContact O-N 2.91Å; L85-G88 PolarHBondContact O-N 3.47Å; G88-G91 PolarHBondContact O-N 3.48Å; G88-L92 WeakPolarHBondContact O-CG 3.16Å; G88-L92 PolarHBondContact O-N 3.5Å
89	Q	95.3	Very high	90.4	Very high	80 Å²	80	39.2 Å²	39.2	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-61.6	-50.2	176.7	179.9	171	-24.2	0	0	112.4	L85 G91 L92 E93	L85-Q89 PolarHBondContact O-N 3.07Å; Q89-G91 VanDerWaalsContact C-N 3.26Å; Q89-G91 PolarHBondContact O-N 3.09Å; Q89-L92 PolarHBondContact O-N 3.33Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.48Å; Q89-E93 PolarHBondContact NE2-OE1 3.21Å; Q89-E93 VanDerWaalsContact NE2-OE1 3.09Å; Q89-E93 WeakPolarHBondContact O-CG 3.3Å; Q89-E93 PolarHBondContact O-N 2.89Å
90	S	93.4	Very high	88.7	Confident	9 Å²	9	38.2 Å²	38.2	6%	0.063	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-35.8	-179.4	-61.8	0	0	0	0	112.1	N86 L94 R155	N86-S90 WeakPolarHBondContact O-CB 3.43Å; N86-S90 PolarHBondContact O-N 3.12Å; N86-S90 PolarHBondContact O-OG 3.45Å; S90-L94 WeakPolarHBondContact O-CB 3.09Å; S90-L94 PolarHBondContact O-N 3.42Å; S90-R155 WeakPolarHBondContact O-CD 3.44Å; S90-R155 WeakPolarHBondContact O-CG 3.2Å
91	G	91.4	Very high	86.8	Confident	6 Å²	6	41.5 Å²	41.5	6%	0.062	20%	0.202	C	C	.	.	H	α-helix	trans	-67.8	-41.7	175.8	0	0	0	0	0	113.3	A87 G88 Q89 L94 I95 F117	A87-G91 PolarHBondContact O-N 3.43Å; G88-G91 PolarHBondContact O-N 3.48Å; Q89-G91 VanDerWaalsContact C-N 3.26Å; Q89-G91 PolarHBondContact O-N 3.09Å; G91-L94 WeakPolarHBondContact O-CB 3.36Å; G91-L94 PolarHBondContact O-N 3.35Å; G91-I95 WeakPolarHBondContact O-CG1 3.33Å; G91-I95 PolarHBondContact O-N 3.32Å; G91-I95 VanDerWaalsContact O-N 3.09Å; G91-F117 VanDerWaalsContact C-CD2 3.49Å
92	L	91.9	Very high	84.9	Confident	23 Å²	23	48.2 Å²	48.2	12%	0.12	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-39.7	174.2	-71.2	172.8	0	0	0	112.3	G88 Q89 L94 I95 R96 Q114 F117 Q118 K121	G88-L92 WeakPolarHBondContact O-CG 3.16Å; G88-L92 PolarHBondContact O-N 3.5Å; Q89-L92 PolarHBondContact O-N 3.33Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L92-I95 PolarHBondContact O-N 2.86Å; L92-R96 PolarHBondContact O-N 3.33Å; L92-Q114 HydrophobicContact CD2-CG 3.98Å; L92-F117 HydrophobicContact CD2-CB 3.96Å; L92-F117 HydrophobicContact CG-CB 3.83Å; L92-Q118 HydrophobicContact CD2-CB 4.29Å; L92-K121 HydrophobicContact CD1-CB 4.32Å; L92-K121 HydrophobicContact CD1-CD 3.72Å
93	E	91.4	Very high	83.1	Confident	51 Å²	51	48.3 Å²	48.3	24%	0.238	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-42.6	174.4	-72.7	172.9	-169.8	0	0	111.4	Q89 I95 R96 E97 R155	Q89-E93 WeakPolarHBondContact CG-OE1 3.48Å; Q89-E93 PolarHBondContact NE2-OE1 3.21Å; Q89-E93 VanDerWaalsContact NE2-OE1 3.09Å; Q89-E93 WeakPolarHBondContact O-CG 3.3Å; Q89-E93 PolarHBondContact O-N 2.89Å; E93-I95 PolarHBondContact O-N 3.03Å; E93-R96 WeakPolarHBondContact O-CB 3.49Å; E93-R96 PolarHBondContact O-N 2.99Å; E93-E97 WeakPolarHBondContact O-CG 3.2Å; E93-E97 PolarHBondContact O-N 3.12Å; E93-R155 IonicContact OE2-CZ 2.76Å; E93-R155 IonicContact OE2-NH1 2.68Å; E93-R155 PolarHBondContact OE2-NH1 2.93Å
94	L	87.9	Confident	81.6	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-45.2	175.9	-173.9	52.9	0	0	0	112.6	I5 S90 G91 L92 R96 E97 Y98 R155 N158 F159	I5-L94 HydrophobicContact CD1-CD2 3.5Å; I5-L94 HydrophobicContact CD1-CG 4.45Å; S90-L94 WeakPolarHBondContact O-CB 3.09Å; S90-L94 PolarHBondContact O-N 3.42Å; G91-L94 WeakPolarHBondContact O-CB 3.36Å; G91-L94 PolarHBondContact O-N 3.35Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L94-R96 VanDerWaalsContact C-N 3.29Å; L94-R96 PolarHBondContact O-N 3.1Å; L94-E97 PolarHBondContact O-N 2.66Å; L94-Y98 HydrophobicContact CD1-CD2 3.9Å; L94-Y98 HydrophobicContact CD1-CE2 3.45Å; L94-Y98 VanDerWaalsContact CD1-CE2 3.45Å; L94-Y98 HydrophobicContact CD2-CE2 4.32Å; L94-Y98 HydrophobicContact CG-CD2 3.9Å; L94-Y98 HydrophobicContact CG-CE2 3.65Å; L94-Y98 WeakPolarHBondContact O-CD2 3.38Å; L94-Y98 PolarHBondContact O-N 3.25Å; L94-Y98 VanDerWaalsContact O-N 3.16Å; L94-R155 HydrophobicContact CB-CG 3.9Å; L94-R155 HydrophobicContact CD1-CG 4.26Å; L94-R155 HydrophobicContact CD2-CG 4.37Å; L94-R155 HydrophobicContact CG-CG 4.42Å; L94-N158 HydrophobicContact CD2-CB 3.71Å; L94-F159 HydrophobicContact CD1-CB 3.68Å; L94-F159 HydrophobicContact CD1-CD2 3.88Å; L94-F159 HydrophobicContact CD1-CG 4.27Å
95	I	85.5	Confident	80	Confident	20 Å²	20	55.6 Å²	55.6	10%	0.103	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-39.3	178.3	-72	173.5	0	0	0	111.2	G91 L92 E93 Y98 I110 Q113 Q114 F117	G91-I95 WeakPolarHBondContact O-CG1 3.33Å; G91-I95 PolarHBondContact O-N 3.32Å; G91-I95 VanDerWaalsContact O-N 3.09Å; L92-I95 PolarHBondContact O-N 2.86Å; E93-I95 PolarHBondContact O-N 3.03Å; I95-Y98 PolarHBondContact O-N 3.41Å; I95-I110 HydrophobicContact CG1-CG2 4.39Å; I95-I110 HydrophobicContact CG2-CG2 3.69Å; I95-Q113 HydrophobicContact CD1-CB 3.87Å; I95-Q114 HydrophobicContact CD1-CB 3.72Å; I95-Q114 HydrophobicContact CD1-CG 4.41Å; I95-Q114 HydrophobicContact CG2-CB 4.41Å; I95-Q114 HydrophobicContact CG2-CG 4.49Å; I95-F117 HydrophobicContact CD1-CD2 3.7Å; I95-F117 HydrophobicContact CD1-CE2 4.11Å
96	R	84.2	Confident	78.7	Confident	195 Å²	195	55.2 Å²	55.2	74%	0.736	27%	0.265	S	S	*	.	H	α-helix	trans	-64.6	-43	176.1	-173.5	-174.6	-65.4	151.8	-1.1	112	L92 E93 L94 Y98 N99	L92-R96 PolarHBondContact O-N 3.33Å; E93-R96 WeakPolarHBondContact O-CB 3.49Å; E93-R96 PolarHBondContact O-N 2.99Å; L94-R96 VanDerWaalsContact C-N 3.29Å; L94-R96 PolarHBondContact O-N 3.1Å; R96-Y98 PolarHBondContact O-N 2.9Å; R96-N99 PolarHBondContact O-N 3.33Å
97	E	79.5	Confident	77.6	Confident	97 Å²	97	57.9 Å²	57.9	45%	0.453	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-28.5	177.7	-74.6	172.9	-161.6	0	0	112.2	E93 L94 R155	E93-E97 WeakPolarHBondContact O-CG 3.2Å; E93-E97 PolarHBondContact O-N 3.12Å; L94-E97 PolarHBondContact O-N 2.66Å; E97-R155 IonicContact OE1-CZ 2.87Å; E97-R155 VanDerWaalsContact OE1-CZ 3.31Å; E97-R155 IonicContact OE1-NH1 2.69Å; E97-R155 PolarHBondContact OE1-NH1 2.93Å; E97-R155 IonicContact OE1-NH2 3.9Å
98	Y	73.1	Confident	76.8	Confident	6 Å²	6	60.6 Å²	60.6	2%	0.024	30%	0.3	C	S	.	.	H	α-helix	trans	-77	-23.8	-176.9	-96.1	-46.5	0	0	0	115.2	L94 I95 R96 I100 F159 F162	L94-Y98 HydrophobicContact CD1-CD2 3.9Å; L94-Y98 HydrophobicContact CD1-CE2 3.45Å; L94-Y98 VanDerWaalsContact CD1-CE2 3.45Å; L94-Y98 HydrophobicContact CD2-CE2 4.32Å; L94-Y98 HydrophobicContact CG-CD2 3.9Å; L94-Y98 HydrophobicContact CG-CE2 3.65Å; L94-Y98 WeakPolarHBondContact O-CD2 3.38Å; L94-Y98 PolarHBondContact O-N 3.25Å; L94-Y98 VanDerWaalsContact O-N 3.16Å; I95-Y98 PolarHBondContact O-N 3.41Å; R96-Y98 PolarHBondContact O-N 2.9Å; Y98-I100 HydrophobicContact CD1-CD1 3.88Å; Y98-I100 HydrophobicContact CD1-CG1 4.41Å; Y98-I100 HydrophobicContact CG-CD1 3.78Å; Y98-I100 HydrophobicContact CG-CG1 4.32Å; Y98-I100 WeakPolarHBondContact O-CG1 3.43Å; Y98-I100 PolarHBondContact O-N 2.97Å; Y98-F159 HydrophobicContact CD1-CD2 4.48Å; Y98-F159 HydrophobicContact CD1-CE2 4.25Å; Y98-F159 AromaticContact CE1-CD2 3.7Å; Y98-F159 HydrophobicContact CE1-CD2 3.7Å; Y98-F159 AromaticContact CE1-CE2 3.64Å; Y98-F159 HydrophobicContact CE1-CE2 3.64Å; Y98-F159 HydrophobicContact CE2-CD2 4.12Å; Y98-F159 AromaticContact CZ-CD2 3.48Å; Y98-F159 VanDerWaalsContact CZ-CD2 3.48Å; Y98-F159 AromaticContact CZ-CE2 3.94Å; Y98-F159 WeakPolarHBondContact OH-CA 3.42Å; Y98-F159 WeakPolarHBondContact OH-CD2 3.33Å; Y98-F159 PolarHBondContact OH-O 3.23Å; Y98-F162 HydrophobicContact CD1-CD1 4.21Å; Y98-F162 HydrophobicContact CD1-CE1 4.05Å; Y98-F162 AromaticContact CE1-CD1 3.28Å; Y98-F162 HydrophobicContact CE1-CD1 3.28Å; Y98-F162 AromaticContact CE1-CE1 3.54Å; Y98-F162 HydrophobicContact CE1-CE1 3.54Å; Y98-F162 HydrophobicContact CE1-CG 4.18Å; Y98-F162 HydrophobicContact CE2-CD1 4.41Å; Y98-F162 AromaticContact CZ-CD1 3.41Å; Y98-F162 VanDerWaalsContact CZ-CD1 3.41Å; Y98-F162 AromaticContact CZ-CG 3.85Å; Y98-F162 WeakPolarHBondContact OH-CB 3.13Å; Y98-F162 WeakPolarHBondContact OH-CD1 3.29Å; Y98-F162 WeakPolarHBondContact OH-CG 3.42Å
99	N	63.4	Low	76.1	Confident	118 Å²	118	61.1 Å²	61.1	63%	0.631	30%	0.304	S	S	*	.			trans	35.7	44.2	177.7	-159.7	14.7	0	0	0	115.5	R96 N101	R96-N99 PolarHBondContact O-N 3.33Å; N99-N101 PolarHBondContact O-N 3.29Å
100	I	59.5	Low	75.4	Confident	8 Å²	8	58.6 Å²	58.6	4%	0.041	29%	0.292	C	S	.	.			trans	-83.3	27.4	-167.8	-48.3	175.6	0	0	0	112.4	I22 Y98 K102 S103 W106 I110 F162	I22-I100 HydrophobicContact CD1-CG2 4.13Å; I22-I100 HydrophobicContact CG1-CG2 4.04Å; I22-I100 HydrophobicContact CG2-CD1 3.89Å; I22-I100 HydrophobicContact CG2-CG1 3.92Å; I22-I100 HydrophobicContact CG2-CG2 4.34Å; Y98-I100 HydrophobicContact CD1-CD1 3.88Å; Y98-I100 HydrophobicContact CD1-CG1 4.41Å; Y98-I100 HydrophobicContact CG-CD1 3.78Å; Y98-I100 HydrophobicContact CG-CG1 4.32Å; Y98-I100 WeakPolarHBondContact O-CG1 3.43Å; Y98-I100 PolarHBondContact O-N 2.97Å; I100-K102 PolarHBondContact O-N 2.89Å; I100-S103 PolarHBondContact O-N 3.37Å; I100-W106 HydrophobicContact CG2-CB 3.75Å; I100-W106 HydrophobicContact CG2-CG 4.43Å; I100-I110 HydrophobicContact CD1-CD1 3.88Å; I100-I110 HydrophobicContact CD1-CG1 3.98Å; I100-F162 HydrophobicContact CD1-CE1 4.41Å; I100-F162 HydrophobicContact CD1-CZ 4.01Å
101	N	55.8	Low	74.9	Confident	146 Å²	146	62.8 Å²	62.8	78%	0.781	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	1.6	174.7	-76.4	-6.8	0	0	0	113.6	N99	N99-N101 PolarHBondContact O-N 3.29Å
102	K	56.9	Low	74.7	Confident	142 Å²	142	67.3 Å²	67.3	62%	0.617	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-5.6	-177.5	-63.4	-175.8	178.6	176.9	0	115.2	S21 I100	S21-K102 WeakPolarHBondContact OG-CD 3.49Å; I100-K102 PolarHBondContact O-N 2.89Å
103	S	60.3	Low	74.5	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.014	33%	0.325	C	S	.	.			trans	-127.3	108.5	177.4	179	0	0	0	0	111.5	I100 T105 W106 T107	I100-S103 PolarHBondContact O-N 3.37Å; S103-T105 PolarHBondContact O-N 3.5Å; S103-W106 PolarHBondContact O-N 2.84Å; S103-W106 VanDerWaalsContact OG-CD1 3.28Å; S103-W106 PolarHBondContact OG-N 2.97Å; S103-T107 WeakPolarHBondContact O-CB 3.16Å; S103-T107 PolarHBondContact O-N 3.28Å; S103-T107 PolarHBondContact O-OG1 3.06Å
104	E	64.5	Low	74.4	Confident	180 Å²	180	68 Å²	68	84%	0.841	33%	0.333	S	S	*	.	H	α-helix	trans	-52	-40.5	174.8	-69.3	-175.7	168.6	0	0	111.5	T107	E104-T107 WeakPolarHBondContact O-CB 3.29Å; E104-T107 PolarHBondContact O-N 3.29Å
105	T	63.6	Low	74.7	Confident	42 Å²	42	73.2 Å²	73.2	26%	0.258	36%	0.357	S	S	.	.	H	α-helix	trans	-63	-44.9	-177.5	-50.3	0	0	0	0	112.9	F12 L14 S103	F12-T105 HydrophobicContact CB-CG2 3.44Å; F12-T105 VanDerWaalsContact CB-CG2 3.44Å; F12-T105 HydrophobicContact CD1-CG2 3Å; F12-T105 HydrophobicContact CD2-CG2 4.01Å; F12-T105 HydrophobicContact CE1-CG2 3.76Å; F12-T105 HydrophobicContact CG-CG2 3.16Å; L14-T105 HydrophobicContact CD1-CG2 4.12Å; L14-T105 HydrophobicContact CD2-CG2 4.37Å; L14-T105 VanDerWaalsContact CD2-OG1 3.24Å; L14-T105 WeakPolarHBondContact CD2-OG1 3.39Å; L14-T105 HydrophobicContact CG-CG2 4.03Å; S103-T105 PolarHBondContact O-N 3.5Å
106	W	68.2	Low	75	Confident	9 Å²	9	75.3 Å²	75.3	3%	0.034	37%	0.368	C	S	.	.	H	α-helix	trans	-80.2	-22.9	175.6	-67.2	107.5	0	0	0	112.6	C8 L14 I100 S103 S108 C109 I110 F162	C8-W106 HydrophobicContact CB-CE3 4.04Å; C8-W106 HydrophobicContact CB-CZ3 3.65Å; C8-W106 WeakPolarHBondContact O-CZ3 3.49Å; L14-W106 HydrophobicContact CD1-CG 4.48Å; I100-W106 HydrophobicContact CG2-CB 3.75Å; I100-W106 HydrophobicContact CG2-CG 4.43Å; S103-W106 PolarHBondContact O-N 2.84Å; S103-W106 VanDerWaalsContact OG-CD1 3.28Å; S103-W106 PolarHBondContact OG-N 2.97Å; W106-S108 VanDerWaalsContact C-N 3.32Å; W106-S108 PolarHBondContact O-N 3.43Å; W106-C109 PolarHBondContact O-N 3.42Å; W106-C109 VanDerWaalsContact O-N 3.16Å; W106-I110 HydrophobicContact CB-CG1 4.37Å; W106-I110 WeakPolarHBondContact O-CB 3.41Å; W106-I110 VanDerWaalsContact O-CG1 3.27Å; W106-I110 WeakPolarHBondContact O-CG1 3.18Å; W106-I110 PolarHBondContact O-N 3.38Å; W106-F162 AromaticContact CD2-CE2 3.98Å; W106-F162 HydrophobicContact CD2-CE2 3.98Å; W106-F162 HydrophobicContact CD2-CZ 4.39Å; W106-F162 AromaticContact CE3-CE2 3.78Å; W106-F162 HydrophobicContact CE3-CE2 3.78Å; W106-F162 HydrophobicContact CH2-CD2 4.42Å; W106-F162 AromaticContact CH2-CE2 3.86Å; W106-F162 HydrophobicContact CH2-CE2 3.86Å; W106-F162 HydrophobicContact CZ2-CE2 4.05Å; W106-F162 HydrophobicContact CZ3-CD2 4.28Å; W106-F162 AromaticContact CZ3-CE2 3.7Å; W106-F162 HydrophobicContact CZ3-CE2 3.7Å
107	T	74	Confident	75.4	Confident	62 Å²	62	66.5 Å²	66.5	38%	0.38	34%	0.335	S	S	.	.	H	α-helix	trans	-54.9	-46.1	-175.4	-64.4	0	0	0	0	111.7	S103 E104 H111	S103-T107 WeakPolarHBondContact O-CB 3.16Å; S103-T107 PolarHBondContact O-N 3.28Å; S103-T107 PolarHBondContact O-OG1 3.06Å; E104-T107 WeakPolarHBondContact O-CB 3.29Å; E104-T107 PolarHBondContact O-N 3.29Å; T107-H111 VanDerWaalsContact O-CB 3.23Å; T107-H111 WeakPolarHBondContact O-CB 3.41Å; T107-H111 PolarHBondContact O-N 3.22Å
108	S	79	Confident	76.2	Confident	74 Å²	74	65.2 Å²	65.2	52%	0.517	33%	0.329	S	S	.	.	H	α-helix	trans	-61.9	-48.7	179	-167	0	0	0	0	111.6	W106 H111 E112	W106-S108 VanDerWaalsContact C-N 3.32Å; W106-S108 PolarHBondContact O-N 3.43Å; S108-H111 WeakPolarHBondContact O-CB 3.48Å; S108-H111 PolarHBondContact O-N 3.03Å; S108-E112 WeakPolarHBondContact O-CG 3.42Å; S108-E112 PolarHBondContact O-N 3.42Å
109	C	79.1	Confident	77.2	Confident	11 Å²	11	72 Å²	72	7%	0.074	36%	0.359	C	S	.	.	H	α-helix	trans	-68.3	-41.1	-177.9	-166.2	0	0	0	0	112.5	C8 W106 H111 E112 Q113	C8-C109 WeakPolarHBondContact CA-SG 3.42Å; C8-C109 HydrophobicContact CB-CB 3.68Å; C8-C109 WeakPolarHBondContact CB-SG 3.44Å; C8-C109 WeakPolarHBondContact SG-CB 3.49Å; C8-C109 CovalentContact SG-SG 2.01Å; C8-C109 PolarHBondContact SG-SG 3.45Å; W106-C109 PolarHBondContact O-N 3.42Å; W106-C109 VanDerWaalsContact O-N 3.16Å; C109-H111 VanDerWaalsContact C-N 3.25Å; C109-H111 PolarHBondContact O-N 3.33Å; C109-E112 PolarHBondContact O-N 2.88Å; C109-Q113 WeakPolarHBondContact O-CG 3.44Å; C109-Q113 PolarHBondContact O-N 3.16Å
110	I	80.1	Confident	78.7	Confident	26 Å²	26	68 Å²	68	13%	0.133	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-39.5	175.3	-65.6	-64.7	0	0	0	110.4	I95 I100 W106 Q113 Q114	I95-I110 HydrophobicContact CG1-CG2 4.39Å; I95-I110 HydrophobicContact CG2-CG2 3.69Å; I100-I110 HydrophobicContact CD1-CD1 3.88Å; I100-I110 HydrophobicContact CD1-CG1 3.98Å; W106-I110 HydrophobicContact CB-CG1 4.37Å; W106-I110 WeakPolarHBondContact O-CB 3.41Å; W106-I110 VanDerWaalsContact O-CG1 3.27Å; W106-I110 WeakPolarHBondContact O-CG1 3.18Å; W106-I110 PolarHBondContact O-N 3.38Å; I110-Q113 PolarHBondContact O-N 3.09Å; I110-Q114 VanDerWaalsContact O-CB 3.32Å; I110-Q114 WeakPolarHBondContact O-CB 3.26Å; I110-Q114 PolarHBondContact O-N 2.84Å
111	H	84.5	Confident	80.2	Confident	97 Å²	97	71.9 Å²	71.9	45%	0.449	35%	0.353	S	S	.	.	H	α-helix	trans	-62.7	-45.4	174.7	-169.6	72.1	0	0	0	112	T107 S108 C109 Q113 Q114 Q115	T107-H111 VanDerWaalsContact O-CB 3.23Å; T107-H111 WeakPolarHBondContact O-CB 3.41Å; T107-H111 PolarHBondContact O-N 3.22Å; S108-H111 WeakPolarHBondContact O-CB 3.48Å; S108-H111 PolarHBondContact O-N 3.03Å; C109-H111 VanDerWaalsContact C-N 3.25Å; C109-H111 PolarHBondContact O-N 3.33Å; H111-Q113 PolarHBondContact O-N 3.06Å; H111-Q114 WeakPolarHBondContact O-CB 3.48Å; H111-Q114 PolarHBondContact O-N 3.44Å; H111-Q115 PolarHBondContact CD2-NE2 2.76Å; H111-Q115 VanDerWaalsContact CD2-NE2 3.3Å; H111-Q115 PolarHBondContact NE2-NE2 2.68Å; H111-Q115 WeakPolarHBondContact O-CG 3.47Å; H111-Q115 PolarHBondContact O-N 3.23Å
112	E	86.5	Confident	82.1	Confident	101 Å²	101	69.4 Å²	69.4	47%	0.472	34%	0.34	S	S	.	.	H	α-helix	trans	-59.9	-45.8	174.6	-73.5	175.1	-159.4	0	0	111.9	S108 C109 Q114 Q115 I116	S108-E112 WeakPolarHBondContact O-CG 3.42Å; S108-E112 PolarHBondContact O-N 3.42Å; C109-E112 PolarHBondContact O-N 2.88Å; E112-Q114 VanDerWaalsContact C-N 3.3Å; E112-Q114 PolarHBondContact O-N 3.3Å; E112-Q115 PolarHBondContact O-N 3.48Å; E112-I116 WeakPolarHBondContact O-CG1 3.38Å; E112-I116 PolarHBondContact O-N 3.02Å
113	Q	87.2	Confident	83.9	Confident	4 Å²	4	66 Å²	66	2%	0.019	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-40.2	175.6	-67.6	-54.1	-50.1	0	0	111.6	S4 I95 C109 I110 H111 Q115 I116 F117	S4-Q113 VanDerWaalsContact C-OE1 3.32Å; S4-Q113 PolarHBondContact O-NE2 3.24Å; S4-Q113 PolarHBondContact O-OE1 3.46Å; I95-Q113 HydrophobicContact CD1-CB 3.87Å; C109-Q113 WeakPolarHBondContact O-CG 3.44Å; C109-Q113 PolarHBondContact O-N 3.16Å; I110-Q113 PolarHBondContact O-N 3.09Å; H111-Q113 PolarHBondContact O-N 3.06Å; Q113-Q115 PolarHBondContact O-N 3.05Å; Q113-I116 PolarHBondContact O-N 2.94Å; Q113-F117 HydrophobicContact CB-CD2 4.41Å; Q113-F117 HydrophobicContact CB-CE2 4.16Å; Q113-F117 WeakPolarHBondContact O-CD2 3.39Å; Q113-F117 WeakPolarHBondContact O-CG 3.41Å; Q113-F117 PolarHBondContact O-N 3.18Å
114	Q	90.8	Very high	85.5	Confident	85 Å²	85	68.7 Å²	68.7	40%	0.397	34%	0.341	S	S	.	.	H	α-helix	trans	-61	-46.1	177.2	-171.2	179.6	-7.9	0	0	110.8	L92 I95 I110 H111 E112 I116 F117 Q118	L92-Q114 HydrophobicContact CD2-CG 3.98Å; I95-Q114 HydrophobicContact CD1-CB 3.72Å; I95-Q114 HydrophobicContact CD1-CG 4.41Å; I95-Q114 HydrophobicContact CG2-CB 4.41Å; I95-Q114 HydrophobicContact CG2-CG 4.49Å; I110-Q114 VanDerWaalsContact O-CB 3.32Å; I110-Q114 WeakPolarHBondContact O-CB 3.26Å; I110-Q114 PolarHBondContact O-N 2.84Å; H111-Q114 WeakPolarHBondContact O-CB 3.48Å; H111-Q114 PolarHBondContact O-N 3.44Å; E112-Q114 VanDerWaalsContact C-N 3.3Å; E112-Q114 PolarHBondContact O-N 3.3Å; Q114-I116 VanDerWaalsContact C-N 3.34Å; Q114-I116 PolarHBondContact O-N 2.83Å; Q114-F117 PolarHBondContact O-N 3.47Å; Q114-Q118 WeakPolarHBondContact O-CB 3.37Å; Q114-Q118 PolarHBondContact O-N 3.32Å
115	Q	92.5	Very high	86.9	Confident	112 Å²	112	63.3 Å²	63.3	52%	0.523	32%	0.318	S	S	.	.	H	α-helix	trans	-61.1	-42	176.4	-69.9	180	-4	0	0	111.8	H111 E112 Q113 Q118 K119	H111-Q115 PolarHBondContact CD2-NE2 2.76Å; H111-Q115 VanDerWaalsContact CD2-NE2 3.3Å; H111-Q115 PolarHBondContact NE2-NE2 2.68Å; H111-Q115 WeakPolarHBondContact O-CG 3.47Å; H111-Q115 PolarHBondContact O-N 3.23Å; E112-Q115 PolarHBondContact O-N 3.48Å; Q113-Q115 PolarHBondContact O-N 3.05Å; Q115-Q118 PolarHBondContact O-N 3.09Å; Q115-K119 VanDerWaalsContact O-CB 3.29Å; Q115-K119 WeakPolarHBondContact O-CB 3.4Å; Q115-K119 PolarHBondContact O-N 3.42Å
116	I	92	Very high	88.3	Confident	65 Å²	65	63.8 Å²	63.8	33%	0.333	33%	0.326	S	S	.	.	H	α-helix	trans	-61.4	-50.1	177.2	-69.2	165.6	0	0	0	110.8	E112 Q113 Q114 K119 M120	E112-I116 WeakPolarHBondContact O-CG1 3.38Å; E112-I116 PolarHBondContact O-N 3.02Å; Q113-I116 PolarHBondContact O-N 2.94Å; Q114-I116 VanDerWaalsContact C-N 3.34Å; Q114-I116 PolarHBondContact O-N 2.83Å; I116-K119 PolarHBondContact O-N 3.24Å; I116-M120 HydrophobicContact CG2-CE 3.81Å; I116-M120 WeakPolarHBondContact O-CG 3.39Å; I116-M120 PolarHBondContact O-N 3.47Å
117	F	93.6	Very high	89.5	Confident	9 Å²	9	69.6 Å²	69.6	4%	0.039	35%	0.353	C	S	.	.	H	α-helix	trans	-69.3	-35.8	-178.9	-66.7	-53.2	0	0	0	112.7	S4 G91 L92 I95 Q113 Q114 M120 K121	S4-F117 VanDerWaalsContact CB-CZ 3.44Å; G91-F117 VanDerWaalsContact C-CD2 3.49Å; L92-F117 HydrophobicContact CD2-CB 3.96Å; L92-F117 HydrophobicContact CG-CB 3.83Å; I95-F117 HydrophobicContact CD1-CD2 3.7Å; I95-F117 HydrophobicContact CD1-CE2 4.11Å; Q113-F117 HydrophobicContact CB-CD2 4.41Å; Q113-F117 HydrophobicContact CB-CE2 4.16Å; Q113-F117 WeakPolarHBondContact O-CD2 3.39Å; Q113-F117 WeakPolarHBondContact O-CG 3.41Å; Q113-F117 PolarHBondContact O-N 3.18Å; Q114-F117 PolarHBondContact O-N 3.47Å; F117-M120 HydrophobicContact CD1-SD 4.27Å; F117-M120 PolarHBondContact O-N 3.11Å; F117-K121 PolarHBondContact O-N 2.87Å
118	Q	95.2	Very high	90.4	Very high	71 Å²	71	69.7 Å²	69.7	33%	0.332	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-48.3	173.1	-172.7	57.8	52.8	0	0	110.4	L92 Q114 Q115 M120 K121 D122	L92-Q118 HydrophobicContact CD2-CB 4.29Å; Q114-Q118 WeakPolarHBondContact O-CB 3.37Å; Q114-Q118 PolarHBondContact O-N 3.32Å; Q115-Q118 PolarHBondContact O-N 3.09Å; Q118-M120 VanDerWaalsContact C-N 3.3Å; Q118-M120 PolarHBondContact O-N 3.41Å; Q118-K121 PolarHBondContact O-N 3.31Å; Q118-K121 VanDerWaalsContact O-N 3.12Å; Q118-D122 WeakPolarHBondContact CG-OD2 3.38Å; Q118-D122 PolarHBondContact NE2-OD1 3.37Å; Q118-D122 PolarHBondContact NE2-OD2 3.47Å; Q118-D122 VanDerWaalsContact O-CG 3.25Å; Q118-D122 PolarHBondContact O-N 3.32Å
119	K	95.4	Very high	91.1	Very high	149 Å²	149	66.2 Å²	66.2	65%	0.648	33%	0.327	S	S	*	.	H	α-helix	trans	-58.1	-41.6	174.9	-176.2	176.8	-178.4	177.6	0	112.1	Q115 I116 D122 T123	Q115-K119 VanDerWaalsContact O-CB 3.29Å; Q115-K119 WeakPolarHBondContact O-CB 3.4Å; Q115-K119 PolarHBondContact O-N 3.42Å; I116-K119 PolarHBondContact O-N 3.24Å; K119-D122 PolarHBondContact O-N 2.9Å; K119-T123 VanDerWaalsContact O-CB 3.23Å; K119-T123 WeakPolarHBondContact O-CB 3.32Å; K119-T123 PolarHBondContact O-N 3.48Å; K119-T123 PolarHBondContact O-OG1 3.28Å
120	M	94.2	Very high	91.7	Very high	34 Å²	34	69 Å²	69	17%	0.167	34%	0.341	C	S	.	.	H	α-helix	trans	-60.1	-49.5	174.7	-72.6	-179	-175.4	0	0	111.1	M1 I116 F117 Q118 D122 T123 Y124	M1-M120 HydrophobicContact CE-CE 3.75Å; I116-M120 HydrophobicContact CG2-CE 3.81Å; I116-M120 WeakPolarHBondContact O-CG 3.39Å; I116-M120 PolarHBondContact O-N 3.47Å; F117-M120 HydrophobicContact CD1-SD 4.27Å; F117-M120 PolarHBondContact O-N 3.11Å; Q118-M120 VanDerWaalsContact C-N 3.3Å; Q118-M120 PolarHBondContact O-N 3.41Å; M120-D122 VanDerWaalsContact C-N 3.31Å; M120-D122 PolarHBondContact O-N 2.63Å; M120-T123 PolarHBondContact O-N 2.94Å; M120-Y124 VanDerWaalsContact O-CD2 3.23Å; M120-Y124 WeakPolarHBondContact O-CD2 3.06Å; M120-Y124 PolarHBondContact O-N 3.39Å
121	K	91.9	Very high	92.3	Very high	88 Å²	88	70.7 Å²	70.7	38%	0.383	37%	0.365	S	S	.	.	H	α-helix	trans	-60.9	-39.2	179.4	-176.2	-179.9	171.7	-175.1	0	112.8	L92 F117 Q118	L92-K121 HydrophobicContact CD1-CB 4.32Å; L92-K121 HydrophobicContact CD1-CD 3.72Å; F117-K121 PolarHBondContact O-N 2.87Å; Q118-K121 PolarHBondContact O-N 3.31Å; Q118-K121 VanDerWaalsContact O-N 3.12Å
122	D	94.1	Very high	92.7	Very high	94 Å²	94	71 Å²	71	50%	0.503	36%	0.363	S	S	.	.	H	α-helix	trans	-77	-27.6	-178.7	-63.2	-23.9	0	0	0	112.4	Q118 K119 M120	Q118-D122 WeakPolarHBondContact CG-OD2 3.38Å; Q118-D122 PolarHBondContact NE2-OD1 3.37Å; Q118-D122 PolarHBondContact NE2-OD2 3.47Å; Q118-D122 VanDerWaalsContact O-CG 3.25Å; Q118-D122 PolarHBondContact O-N 3.32Å; K119-D122 PolarHBondContact O-N 2.9Å; M120-D122 VanDerWaalsContact C-N 3.31Å; M120-D122 PolarHBondContact O-N 2.63Å
123	T	95.5	Very high	92.9	Very high	70 Å²	70	67.2 Å²	67.2	43%	0.429	35%	0.346	S	S	.	.	H	α-helix	trans	-80	-40.9	178.4	-56.7	0	0	0	0	111.9	K119 M120	K119-T123 VanDerWaalsContact O-CB 3.23Å; K119-T123 WeakPolarHBondContact O-CB 3.32Å; K119-T123 PolarHBondContact O-N 3.48Å; K119-T123 PolarHBondContact O-OG1 3.28Å; M120-T123 PolarHBondContact O-N 2.94Å
124	Y	94.8	Very high	92.6	Very high	60 Å²	60	70.6 Å²	70.6	24%	0.235	37%	0.367	C	S	.	.	S	Bend	trans	-107.1	97.4	-175.3	-59.5	-79.3	0	0	0	109.3	C81 K84 L85 M120	C81-Y124 HydrophobicContact CB-CD1 4.46Å; K84-Y124 HydrophobicContact CB-CD1 4.15Å; K84-Y124 HydrophobicContact CB-CD2 3.47Å; K84-Y124 VanDerWaalsContact CB-CD2 3.47Å; K84-Y124 HydrophobicContact CB-CE1 4.28Å; K84-Y124 HydrophobicContact CB-CE2 3.67Å; K84-Y124 HydrophobicContact CB-CG 3.77Å; K84-Y124 HydrophobicContact CD-CD1 4.26Å; K84-Y124 HydrophobicContact CD-CD2 4.1Å; K84-Y124 HydrophobicContact CD-CE1 3.57Å; K84-Y124 HydrophobicContact CD-CE2 3.43Å; K84-Y124 VanDerWaalsContact CD-CE2 3.43Å; K84-Y124 WeakPolarHBondContact CD-OH 3.46Å; K84-Y124 HydrophobicContact CG-CD2 4.44Å; K84-Y124 HydrophobicContact CG-CE2 4.17Å; K84-Y124 PolarHBondContact NZ-OH 3.46Å; K84-Y124 VanDerWaalsContact NZ-OH 3.08Å; L85-Y124 WeakPolarHBondContact CD1-O 3.18Å; M120-Y124 VanDerWaalsContact O-CD2 3.23Å; M120-Y124 WeakPolarHBondContact O-CD2 3.06Å; M120-Y124 PolarHBondContact O-N 3.39Å
125	L	93.8	Very high	92.1	Very high	67 Å²	67	72.3 Å²	72.3	35%	0.351	38%	0.379	S	S	.	.			trans	-97.3	149.2	179.7	-57.5	175.3	0	0	0	110.7	H127 I128 C129	L125-H127 VanDerWaalsContact C-N 3.32Å; L125-H127 VanDerWaalsContact CD1-CE1 3.45Å; L125-H127 WeakPolarHBondContact CD1-CE1 3.15Å; L125-H127 PolarHBondContact O-N 3.21Å; L125-I128 HydrophobicContact CB-CD1 3.98Å; L125-I128 HydrophobicContact CB-CG1 4.1Å; L125-I128 HydrophobicContact CD1-CD1 4.21Å; L125-I128 HydrophobicContact CG-CD1 4.17Å; L125-I128 WeakPolarHBondContact O-CB 3.2Å; L125-I128 PolarHBondContact O-N 3.41Å; L125-C129 PolarHBondContact O-N 3Å; L125-C129 PolarHBondContact O-SG 2.91Å
126	A	92.2	Very high	91.5	Very high	52 Å²	52	71.8 Å²	71.8	43%	0.43	38%	0.378	S	S	.	.	H	α-helix	trans	-52	-48.9	-178.7	0	0	0	0	0	112.3	L85 I128 C129 D130	L85-A126 HydrophobicContact CD2-CB 4.32Å; A126-I128 VanDerWaalsContact C-N 3.26Å; A126-I128 PolarHBondContact O-N 2.94Å; A126-C129 WeakPolarHBondContact O-CA 3.33Å; A126-C129 WeakPolarHBondContact O-CB 3.45Å; A126-C129 PolarHBondContact O-N 3.03Å; A126-D130 VanDerWaalsContact O-CG 3.23Å; A126-D130 PolarHBondContact O-N 3.42Å
127	H	92.7	Very high	91.3	Very high	131 Å²	131	71.6 Å²	71.6	61%	0.606	38%	0.378	S	S	*	.	H	α-helix	trans	-63.3	-28.5	178.9	74.7	-93.2	0	0	0	113.9	L125 G131	L125-H127 VanDerWaalsContact C-N 3.32Å; L125-H127 VanDerWaalsContact CD1-CE1 3.45Å; L125-H127 WeakPolarHBondContact CD1-CE1 3.15Å; L125-H127 PolarHBondContact O-N 3.21Å; H127-G131 PolarHBondContact O-N 2.82Å; H127-G131 VanDerWaalsContact O-N 3.09Å
128	I	93.6	Very high	91.1	Very high	63 Å²	63	77.5 Å²	77.5	32%	0.323	41%	0.409	S	S	.	.	H	α-helix	trans	-69.7	-43.9	173.8	-63.3	174.9	0	0	0	108.9	L125 A126 G131 Y132	L125-I128 HydrophobicContact CB-CD1 3.98Å; L125-I128 HydrophobicContact CB-CG1 4.1Å; L125-I128 HydrophobicContact CD1-CD1 4.21Å; L125-I128 HydrophobicContact CG-CD1 4.17Å; L125-I128 WeakPolarHBondContact O-CB 3.2Å; L125-I128 PolarHBondContact O-N 3.41Å; A126-I128 VanDerWaalsContact C-N 3.26Å; A126-I128 PolarHBondContact O-N 2.94Å; I128-G131 PolarHBondContact O-N 3.38Å; I128-Y132 HydrophobicContact CG2-CE2 4.24Å; I128-Y132 WeakPolarHBondContact O-CD2 3.45Å
129	C	94.4	Very high	90.9	Very high	2 Å²	2	77 Å²	77	1%	0.014	41%	0.409	C	S	.	.	H	α-helix	trans	-63.4	-44.9	177.5	-55.9	0	0	0	0	111.2	F78 C81 L125 A126 G131 Y132	F78-C129 HydrophobicContact CD2-CB 4.5Å; F78-C129 WeakPolarHBondContact CD2-O 3.41Å; C81-C129 HydrophobicContact CB-CB 3.79Å; C81-C129 WeakPolarHBondContact CB-SG 3.26Å; C81-C129 WeakPolarHBondContact SG-CA 3.2Å; C81-C129 WeakPolarHBondContact SG-CB 3.31Å; C81-C129 PolarHBondContact SG-N 3.25Å; C81-C129 CovalentContact SG-SG 2.05Å; C81-C129 PolarHBondContact SG-SG 3.31Å; L125-C129 PolarHBondContact O-N 3Å; L125-C129 PolarHBondContact O-SG 2.91Å; A126-C129 WeakPolarHBondContact O-CA 3.33Å; A126-C129 WeakPolarHBondContact O-CB 3.45Å; A126-C129 PolarHBondContact O-N 3.03Å; C129-G131 PolarHBondContact O-N 3.02Å; C129-Y132 WeakPolarHBondContact O-CB 3.35Å; C129-Y132 PolarHBondContact O-N 3.31Å
130	D	92.1	Very high	90.8	Very high	68 Å²	68	70 Å²	70	36%	0.364	38%	0.378	S	S	.	.	H	α-helix	trans	-63.2	-27.1	177.5	-61.2	-24	0	0	0	112.1	A126 Y132 I133	A126-D130 VanDerWaalsContact O-CG 3.23Å; A126-D130 PolarHBondContact O-N 3.42Å; D130-Y132 PolarHBondContact O-N 3.5Å; D130-I133 WeakPolarHBondContact O-CG1 3.38Å; D130-I133 PolarHBondContact O-N 2.57Å; D130-I133 VanDerWaalsContact O-N 3.16Å
131	G	92.3	Very high	90.7	Very high	63 Å²	63	72 Å²	72	65%	0.649	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.7	173.1	0	0	0	0	0	114.7	H127 I128 C129 I133	H127-G131 PolarHBondContact O-N 2.82Å; H127-G131 VanDerWaalsContact O-N 3.09Å; I128-G131 PolarHBondContact O-N 3.38Å; C129-G131 PolarHBondContact O-N 3.02Å; G131-I133 VanDerWaalsContact C-N 3.34Å
132	Y	92.3	Very high	90.9	Very high	104 Å²	104	70.3 Å²	70.3	41%	0.408	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.2	176.1	-64.6	-61	0	0	0	114	Q77 C81 I128 C129 D130	Q77-Y132 HydrophobicContact CB-CD1 3.55Å; Q77-Y132 HydrophobicContact CB-CD2 4.1Å; Q77-Y132 HydrophobicContact CB-CE1 3.88Å; Q77-Y132 HydrophobicContact CB-CE2 4.39Å; Q77-Y132 HydrophobicContact CB-CG 3.69Å; Q77-Y132 HydrophobicContact CG-CD1 4.33Å; Q77-Y132 HydrophobicContact CG-CE1 4.39Å; C81-Y132 HydrophobicContact CB-CD2 4.12Å; C81-Y132 HydrophobicContact CB-CE2 3.93Å; I128-Y132 HydrophobicContact CG2-CE2 4.24Å; I128-Y132 WeakPolarHBondContact O-CD2 3.45Å; C129-Y132 WeakPolarHBondContact O-CB 3.35Å; C129-Y132 PolarHBondContact O-N 3.31Å; D130-Y132 PolarHBondContact O-N 3.5Å
133	I	90.1	Very high	91	Very high	21 Å²	21	65.8 Å²	65.8	11%	0.108	36%	0.363	C	S	.	.			trans	-120.3	142.7	-179.5	52.7	174.1	0	0	0	110.3	I75 F78 D130 G131 I136 I140	I75-I133 HydrophobicContact CD1-CG2 3.3Å; F78-I133 HydrophobicContact CB-CG2 3.96Å; F78-I133 HydrophobicContact CD2-CD1 4.17Å; F78-I133 HydrophobicContact CD2-CG1 4.38Å; F78-I133 HydrophobicContact CD2-CG2 3.82Å; F78-I133 HydrophobicContact CE2-CD1 3.92Å; F78-I133 HydrophobicContact CE2-CG2 4.49Å; F78-I133 HydrophobicContact CG-CG2 3.87Å; D130-I133 WeakPolarHBondContact O-CG1 3.38Å; D130-I133 PolarHBondContact O-N 2.57Å; D130-I133 VanDerWaalsContact O-N 3.16Å; G131-I133 VanDerWaalsContact C-N 3.34Å; I133-I136 HydrophobicContact CD1-CD1 4.34Å; I133-I136 HydrophobicContact CD1-CG1 3.47Å; I133-I136 VanDerWaalsContact CD1-CG1 3.47Å; I133-I136 HydrophobicContact CG1-CG1 4.48Å; I133-I140 HydrophobicContact CD1-CG2 3.73Å
134	T	82.2	Confident	91	Very high	74 Å²	74	66 Å²	66	45%	0.454	36%	0.356	S	S	.	.	S	Bend	trans	-85.5	-37.2	-179.1	35.5	0	0	0	0	113.1
135	N	80.6	Confident	91	Very high	122 Å²	122	67.2 Å²	67.2	65%	0.652	37%	0.367	S	S	*	.	S	Bend	trans	-143.4	121.7	178	-72.9	-48.5	0	0	0	109.4	N137	N135-N137 PolarHBondContact O-N 3.06Å
136	I	78.6	Confident	91.2	Very high	101 Å²	101	64.2 Å²	64.2	52%	0.518	35%	0.351	S	S	.	.			trans	-68	124.6	168.1	-64.4	168	0	0	0	107.5	I133 D141	I133-I136 HydrophobicContact CD1-CD1 4.34Å; I133-I136 HydrophobicContact CD1-CG1 3.47Å; I133-I136 VanDerWaalsContact CD1-CG1 3.47Å; I133-I136 HydrophobicContact CG1-CG1 4.48Å; I136-D141 WeakPolarHBondContact CG2-OD1 3.22Å
137	N	87.6	Confident	91.4	Very high	61 Å²	61	61.8 Å²	61.8	33%	0.326	33%	0.331	S	S	.	.			trans	-135.5	175.5	174.8	69.6	30.5	0	0	0	109.3	N135 D139 I140 D141	N135-N137 PolarHBondContact O-N 3.06Å; N137-D139 PolarHBondContact O-N 3.21Å; N137-D139 VanDerWaalsContact O-N 3.13Å; N137-D139 WeakPolarHBondContact OD1-CA 3.36Å; N137-D139 WeakPolarHBondContact OD1-CB 3.46Å; N137-D139 PolarHBondContact OD1-N 3.4Å; N137-I140 PolarHBondContact O-N 3.34Å; N137-I140 PolarHBondContact OD1-N 2.86Å; N137-I140 VanDerWaalsContact OD1-N 3.1Å; N137-D141 PolarHBondContact O-N 3.29Å
138	L	89.7	Confident	91.6	Very high	133 Å²	133	57.1 Å²	57.1	70%	0.696	31%	0.312	S	S	*	.	H	α-helix	trans	-56.7	-32.2	-177.4	-174.3	64.6	0	0	0	113.6	T142	L138-T142 VanDerWaalsContact O-CB 3.28Å; L138-T142 WeakPolarHBondContact O-CB 3.49Å; L138-T142 PolarHBondContact O-N 3.32Å; L138-T142 PolarHBondContact O-OG1 3.43Å
139	D	91	Very high	91.7	Very high	59 Å²	59	57.9 Å²	57.9	32%	0.316	31%	0.314	S	S	.	.	H	α-helix	trans	-69	-41.6	177.7	-64.2	-36.6	0	0	0	111.1	I64 K67 N137 T142 L143	I64-D139 HydrophobicContact CD1-CB 4.24Å; I64-D139 HydrophobicContact CG1-CB 4.16Å; K67-D139 IonicContact NZ-OD1 3.58Å; K67-D139 IonicContact NZ-OD2 2.7Å; K67-D139 PolarHBondContact NZ-OD2 2.83Å; N137-D139 PolarHBondContact O-N 3.21Å; N137-D139 VanDerWaalsContact O-N 3.13Å; N137-D139 WeakPolarHBondContact OD1-CA 3.36Å; N137-D139 WeakPolarHBondContact OD1-CB 3.46Å; N137-D139 PolarHBondContact OD1-N 3.4Å; D139-T142 PolarHBondContact O-N 2.78Å; D139-L143 VanDerWaalsContact O-CB 3.3Å; D139-L143 WeakPolarHBondContact O-CB 3.41Å; D139-L143 PolarHBondContact O-N 3.33Å
140	I	92.7	Very high	91.8	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.015	32%	0.317	C	S	.	.	H	α-helix	trans	-68.1	-42.5	177.5	-57.3	-51.5	0	0	0	111	I64 F68 I75 F78 I133 N137 T142 L143 Y144	I64-I140 HydrophobicContact CD1-CD1 4.13Å; I64-I140 HydrophobicContact CG2-CD1 4.03Å; F68-I140 HydrophobicContact CZ-CD1 4.44Å; I75-I140 HydrophobicContact CD1-CD1 3.6Å; I75-I140 HydrophobicContact CG1-CD1 4.15Å; F78-I140 HydrophobicContact CE1-CG2 3.93Å; F78-I140 HydrophobicContact CE2-CG2 4.3Å; F78-I140 HydrophobicContact CZ-CG2 3.73Å; I133-I140 HydrophobicContact CD1-CG2 3.73Å; N137-I140 PolarHBondContact O-N 3.34Å; N137-I140 PolarHBondContact OD1-N 2.86Å; N137-I140 VanDerWaalsContact OD1-N 3.1Å; I140-T142 VanDerWaalsContact C-N 3.33Å; I140-T142 PolarHBondContact O-N 2.66Å; I140-L143 WeakPolarHBondContact O-CB 3.26Å; I140-L143 PolarHBondContact O-N 2.82Å; I140-Y144 WeakPolarHBondContact O-CB 3.19Å; I140-Y144 PolarHBondContact O-N 3.28Å
141	D	93.2	Very high	92	Very high	75 Å²	75	56.2 Å²	56.2	40%	0.401	30%	0.303	S	S	.	.	H	α-helix	trans	-61.4	-43.5	175.6	-70.5	-25.3	0	0	0	111.2	I136 N137 Y144 N145	I136-D141 WeakPolarHBondContact CG2-OD1 3.22Å; N137-D141 PolarHBondContact O-N 3.29Å; D141-Y144 PolarHBondContact O-N 2.81Å; D141-N145 WeakPolarHBondContact O-CB 3.43Å; D141-N145 VanDerWaalsContact O-CG 3.29Å; D141-N145 PolarHBondContact O-N 2.89Å; D141-N145 PolarHBondContact O-ND2 3.04Å
142	T	95	Very high	92	Very high	53 Å²	53	55.2 Å²	55.2	33%	0.325	28%	0.283	S	S	.	.	H	α-helix	trans	-64.1	-42.9	177.1	-57.7	0	0	0	0	111	L138 D139 I140 N145 D146	L138-T142 VanDerWaalsContact O-CB 3.28Å; L138-T142 WeakPolarHBondContact O-CB 3.49Å; L138-T142 PolarHBondContact O-N 3.32Å; L138-T142 PolarHBondContact O-OG1 3.43Å; D139-T142 PolarHBondContact O-N 2.78Å; I140-T142 VanDerWaalsContact C-N 3.33Å; I140-T142 PolarHBondContact O-N 2.66Å; T142-N145 PolarHBondContact O-N 3.47Å; T142-D146 PolarHBondContact O-N 2.91Å
143	L	96	Very high	92.1	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-47.2	175.9	176.4	69.2	0	0	0	111.3	L57 Q60 I64 I75 F78 I79 D139 I140 D146 I147	L57-L143 HydrophobicContact CD2-CD1 3.67Å; Q60-L143 HydrophobicContact CB-CD1 3.98Å; I64-L143 HydrophobicContact CD1-CB 4.11Å; I64-L143 HydrophobicContact CD1-CD2 3.74Å; I64-L143 HydrophobicContact CD1-CG 4.38Å; I75-L143 HydrophobicContact CG1-CD2 3.71Å; F78-L143 HydrophobicContact CD1-CD2 4.05Å; F78-L143 HydrophobicContact CE1-CD2 4.02Å; F78-L143 HydrophobicContact CE1-CG 4.5Å; I79-L143 HydrophobicContact CD1-CD1 4.13Å; I79-L143 HydrophobicContact CD1-CD2 3.97Å; I79-L143 HydrophobicContact CG1-CD1 4.37Å; I79-L143 HydrophobicContact CG1-CD2 3.77Å; I79-L143 HydrophobicContact CG1-CG 4.38Å; D139-L143 VanDerWaalsContact O-CB 3.3Å; D139-L143 WeakPolarHBondContact O-CB 3.41Å; D139-L143 PolarHBondContact O-N 3.33Å; I140-L143 WeakPolarHBondContact O-CB 3.26Å; I140-L143 PolarHBondContact O-N 2.82Å; L143-D146 PolarHBondContact O-N 2.93Å; L143-I147 HydrophobicContact CG-CD1 4.29Å; L143-I147 WeakPolarHBondContact O-CG1 3.43Å; L143-I147 PolarHBondContact O-N 3.3Å
144	Y	95.9	Very high	92.3	Very high	73 Å²	73	53.7 Å²	53.7	29%	0.286	28%	0.275	S	S	.	.	H	α-helix	trans	-59.8	-47.9	177.8	-177	-93.5	0	0	0	111.3	F78 A82 I140 D141 D146 I147 V148	F78-Y144 AromaticContact CZ-CD2 3.99Å; F78-Y144 HydrophobicContact CZ-CD2 3.99Å; A82-Y144 HydrophobicContact CB-CD2 4.06Å; A82-Y144 HydrophobicContact CB-CE2 4.16Å; I140-Y144 WeakPolarHBondContact O-CB 3.19Å; I140-Y144 PolarHBondContact O-N 3.28Å; D141-Y144 PolarHBondContact O-N 2.81Å; Y144-D146 VanDerWaalsContact C-N 3.3Å; Y144-D146 PolarHBondContact O-N 3.38Å; Y144-I147 WeakPolarHBondContact O-CA 3.38Å; Y144-I147 WeakPolarHBondContact O-CB 3.45Å; Y144-I147 PolarHBondContact O-N 2.89Å; Y144-V148 HydrophobicContact CD1-CG2 3.89Å; Y144-V148 HydrophobicContact CE1-CG2 3.51Å; Y144-V148 WeakPolarHBondContact O-CG2 3.37Å; Y144-V148 PolarHBondContact O-N 3.48Å
145	N	96	Very high	92.8	Very high	86 Å²	86	51.3 Å²	51.3	46%	0.46	26%	0.258	S	S	.	.	H	α-helix	trans	-58.7	-40.3	176.1	-74.6	-37.5	0	0	0	112.3	D141 T142 I147 V148 H149	D141-N145 WeakPolarHBondContact O-CB 3.43Å; D141-N145 VanDerWaalsContact O-CG 3.29Å; D141-N145 PolarHBondContact O-N 2.89Å; D141-N145 PolarHBondContact O-ND2 3.04Å; T142-N145 PolarHBondContact O-N 3.47Å; N145-I147 VanDerWaalsContact C-N 3.34Å; N145-V148 PolarHBondContact O-N 3.25Å; N145-H149 WeakPolarHBondContact O-CB 3.23Å; N145-H149 PolarHBondContact O-CD2 2.92Å; N145-H149 PolarHBondContact O-N 3.49Å
146	D	96.9	Very high	93.3	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.027	24%	0.243	C	C	.	.	H	α-helix	trans	-67.5	-32.2	175.5	-83.3	-49.6	0	0	0	112.9	R53 K56 L57 Q60 T142 L143 Y144 K150	R53-D146 IonicContact CZ-OD1 2.68Å; R53-D146 IonicContact NH1-OD1 3.34Å; R53-D146 PolarHBondContact NH1-OD1 2.98Å; K56-D146 WeakPolarHBondContact CE-OD2 3.45Å; K56-D146 IonicContact NZ-OD1 2.73Å; K56-D146 PolarHBondContact NZ-OD1 3.14Å; K56-D146 IonicContact NZ-OD2 3.31Å; K56-D146 PolarHBondContact NZ-OD2 2.94Å; L57-D146 HydrophobicContact CD2-CB 3.55Å; L57-D146 HydrophobicContact CG-CB 4.26Å; Q60-D146 PolarHBondContact NE2-OD2 3.34Å; Q60-D146 PolarHBondContact OE1-OD2 2.89Å; T142-D146 PolarHBondContact O-N 2.91Å; L143-D146 PolarHBondContact O-N 2.93Å; Y144-D146 VanDerWaalsContact C-N 3.3Å; Y144-D146 PolarHBondContact O-N 3.38Å; D146-K150 WeakPolarHBondContact O-CB 3.27Å; D146-K150 PolarHBondContact O-N 2.87Å
147	I	97.5	Very high	94	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.3	-50.5	171.9	-69.2	168.9	0	0	0	110.1	L57 I79 A82 L143 Y144 N145 H149 K150 E151	L57-I147 HydrophobicContact CD1-CG1 4.24Å; L57-I147 HydrophobicContact CD2-CG1 3.75Å; I79-I147 HydrophobicContact CB-CD1 4.42Å; I79-I147 HydrophobicContact CG1-CD1 4.27Å; I79-I147 HydrophobicContact CG2-CD1 4.27Å; A82-I147 HydrophobicContact CB-CD1 3.98Å; A82-I147 HydrophobicContact CB-CG2 4.41Å; L143-I147 HydrophobicContact CG-CD1 4.29Å; L143-I147 WeakPolarHBondContact O-CG1 3.43Å; L143-I147 PolarHBondContact O-N 3.3Å; Y144-I147 WeakPolarHBondContact O-CA 3.38Å; Y144-I147 WeakPolarHBondContact O-CB 3.45Å; Y144-I147 PolarHBondContact O-N 2.89Å; N145-I147 VanDerWaalsContact C-N 3.34Å; I147-H149 VanDerWaalsContact C-N 3.33Å; I147-H149 PolarHBondContact O-N 2.94Å; I147-K150 WeakPolarHBondContact O-CB 3.48Å; I147-K150 PolarHBondContact O-N 3.23Å; I147-K150 VanDerWaalsContact O-N 3.12Å; I147-E151 PolarHBondContact O-N 3.49Å
148	V	96.2	Very high	94	Very high	33 Å²	33	44 Å²	44	20%	0.2	21%	0.212	C	C	.	.	H	α-helix	trans	-55.5	-49.9	177	175	0	0	0	0	110.2	N86 Y144 N145 K150 E151 I152	N86-V148 WeakPolarHBondContact OD1-CG2 3.18Å; Y144-V148 HydrophobicContact CD1-CG2 3.89Å; Y144-V148 HydrophobicContact CE1-CG2 3.51Å; Y144-V148 WeakPolarHBondContact O-CG2 3.37Å; Y144-V148 PolarHBondContact O-N 3.48Å; N145-V148 PolarHBondContact O-N 3.25Å; V148-K150 VanDerWaalsContact C-N 3.31Å; V148-K150 PolarHBondContact O-N 3.39Å; V148-E151 PolarHBondContact O-N 3.38Å; V148-I152 HydrophobicContact CG1-CD1 3.83Å; V148-I152 HydrophobicContact CG1-CG1 4.46Å; V148-I152 WeakPolarHBondContact O-CG1 3.1Å; V148-I152 PolarHBondContact O-N 2.74Å
149	H	95.7	Very high	93.9	Very high	79 Å²	79	39.8 Å²	39.8	37%	0.366	19%	0.188	S	C	.	.	H	α-helix	trans	-62.5	-35.2	178.4	-77.7	-53.7	0	0	0	113.4	N145 I147 R153	N145-H149 WeakPolarHBondContact O-CB 3.23Å; N145-H149 PolarHBondContact O-CD2 2.92Å; N145-H149 PolarHBondContact O-N 3.49Å; I147-H149 VanDerWaalsContact C-N 3.33Å; I147-H149 PolarHBondContact O-N 2.94Å; H149-R153 VanDerWaalsContact O-CG 3.28Å; H149-R153 WeakPolarHBondContact O-CG 3.04Å; H149-R153 PolarHBondContact O-N 3.25Å; H149-R153 VanDerWaalsContact O-N 3.16Å
150	K	96.1	Very high	93.9	Very high	21 Å²	21	38.4 Å²	38.4	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-62	-50.8	172.8	169.6	-166.4	50.4	136.7	0	110.4	R53 N54 L57 S83 D146 I147 V148 I152 R153 I154	R53-K150 HydrophobicContact CB-CB 4.21Å; N54-K150 WeakPolarHBondContact OD1-CD 3.42Å; L57-K150 HydrophobicContact CD1-CB 4.05Å; L57-K150 HydrophobicContact CD1-CD 3.58Å; L57-K150 VanDerWaalsContact CD1-CE 3.44Å; L57-K150 HydrophobicContact CD1-CG 4.34Å; S83-K150 PolarHBondContact OG-NZ 3Å; S83-K150 VanDerWaalsContact OG-NZ 3.16Å; D146-K150 WeakPolarHBondContact O-CB 3.27Å; D146-K150 PolarHBondContact O-N 2.87Å; I147-K150 WeakPolarHBondContact O-CB 3.48Å; I147-K150 PolarHBondContact O-N 3.23Å; I147-K150 VanDerWaalsContact O-N 3.12Å; V148-K150 VanDerWaalsContact C-N 3.31Å; V148-K150 PolarHBondContact O-N 3.39Å; K150-I152 VanDerWaalsContact C-N 3.35Å; K150-I152 PolarHBondContact O-N 3.18Å; K150-R153 PolarHBondContact O-N 3.47Å; K150-I154 HydrophobicContact CD-CD1 4.41Å; K150-I154 HydrophobicContact CG-CD1 3.97Å; K150-I154 WeakPolarHBondContact O-CG1 3.35Å; K150-I154 PolarHBondContact O-N 3.38Å
151	E	95.5	Very high	93.7	Very high	15 Å²	15	39.5 Å²	39.5	7%	0.07	19%	0.186	C	C	.	.	H	α-helix	trans	-66.1	-36.3	-176.9	-61.8	-52.6	141.8	0	0	111.9	N86 I147 V148 R153 I154 R155	N86-E151 HydrophobicContact CB-CB 4.08Å; N86-E151 HydrophobicContact CB-CG 3.8Å; I147-E151 PolarHBondContact O-N 3.49Å; V148-E151 PolarHBondContact O-N 3.38Å; E151-R153 VanDerWaalsContact C-N 3.31Å; E151-R153 PolarHBondContact O-N 2.86Å; E151-I154 WeakPolarHBondContact O-CB 3.33Å; E151-I154 PolarHBondContact O-N 2.01Å; E151-I154 VanDerWaalsContact O-N 3.17Å; E151-R155 PolarHBondContact O-N 3.05Å
152	I	93.9	Very high	93.2	Very high	42 Å²	42	36.1 Å²	36.1	22%	0.215	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-40.7	170.3	-69.1	169.6	0	0	0	111.3	V148 K150 R155 Y156	V148-I152 HydrophobicContact CG1-CD1 3.83Å; V148-I152 HydrophobicContact CG1-CG1 4.46Å; V148-I152 WeakPolarHBondContact O-CG1 3.1Å; V148-I152 PolarHBondContact O-N 2.74Å; K150-I152 VanDerWaalsContact C-N 3.35Å; K150-I152 PolarHBondContact O-N 3.18Å; I152-R155 VanDerWaalsContact O-CB 3.3Å; I152-R155 WeakPolarHBondContact O-CB 3.39Å; I152-R155 PolarHBondContact O-N 2.97Å; I152-Y156 HydrophobicContact CG2-CD2 3.84Å; I152-Y156 HydrophobicContact CG2-CE2 3.48Å; I152-Y156 VanDerWaalsContact CG2-CE2 3.48Å; I152-Y156 WeakPolarHBondContact O-CD2 3.46Å; I152-Y156 PolarHBondContact O-N 3.13Å; I152-Y156 VanDerWaalsContact O-N 3.09Å
153	R	94.5	Very high	92.7	Very high	79 Å²	79	34.4 Å²	34.4	30%	0.298	16%	0.155	S	C	.	.	H	α-helix	trans	-70.4	-34.1	177.4	-68.3	-68.3	178.4	-89.3	2.6	112	V50 H149 K150 E151 R155 Y156 Y157	V50-R153 HydrophobicContact CG2-CB 3.91Å; H149-R153 VanDerWaalsContact O-CG 3.28Å; H149-R153 WeakPolarHBondContact O-CG 3.04Å; H149-R153 PolarHBondContact O-N 3.25Å; H149-R153 VanDerWaalsContact O-N 3.16Å; K150-R153 PolarHBondContact O-N 3.47Å; E151-R153 VanDerWaalsContact C-N 3.31Å; E151-R153 PolarHBondContact O-N 2.86Å; R153-R155 VanDerWaalsContact C-N 3.34Å; R153-Y156 PolarHBondContact O-N 2.88Å; R153-Y157 WeakPolarHBondContact O-CB 2.91Å; R153-Y157 PolarHBondContact O-N 2.97Å
154	I	93.7	Very high	92.3	Very high	13 Å²	13	36.4 Å²	36.4	7%	0.067	17%	0.165	C	C	.	.	H	α-helix	trans	-64.1	-41.8	171.4	-68.9	168.9	0	0	0	110.2	V50 K150 E151 Y156 Y157 N158	V50-I154 HydrophobicContact CG1-CD1 4.33Å; V50-I154 HydrophobicContact CG1-CG1 3.93Å; V50-I154 HydrophobicContact CG2-CG1 3.94Å; K150-I154 HydrophobicContact CD-CD1 4.41Å; K150-I154 HydrophobicContact CG-CD1 3.97Å; K150-I154 WeakPolarHBondContact O-CG1 3.35Å; K150-I154 PolarHBondContact O-N 3.38Å; E151-I154 WeakPolarHBondContact O-CB 3.33Å; E151-I154 PolarHBondContact O-N 2.01Å; E151-I154 VanDerWaalsContact O-N 3.17Å; I154-Y156 PolarHBondContact O-N 3.18Å; I154-Y157 WeakPolarHBondContact O-CB 3.39Å; I154-Y157 PolarHBondContact O-N 3.16Å; I154-N158 VanDerWaalsContact O-CB 3.26Å; I154-N158 WeakPolarHBondContact O-CB 3.4Å; I154-N158 VanDerWaalsContact O-CG 3.24Å; I154-N158 PolarHBondContact O-N 3.25Å
155	R	92	Very high	91.6	Very high	24 Å²	24	34.8 Å²	34.8	9%	0.091	16%	0.16	C	C	.	.	H	α-helix	trans	-54.2	-52.9	173.3	-169.4	-178.3	64.7	151.2	11.8	111.8	S90 E93 L94 E97 E151 I152 R153 Y157 N158 F159	S90-R155 WeakPolarHBondContact O-CD 3.44Å; S90-R155 WeakPolarHBondContact O-CG 3.2Å; E93-R155 IonicContact OE2-CZ 2.76Å; E93-R155 IonicContact OE2-NH1 2.68Å; E93-R155 PolarHBondContact OE2-NH1 2.93Å; L94-R155 HydrophobicContact CB-CG 3.9Å; L94-R155 HydrophobicContact CD1-CG 4.26Å; L94-R155 HydrophobicContact CD2-CG 4.37Å; L94-R155 HydrophobicContact CG-CG 4.42Å; E97-R155 IonicContact OE1-CZ 2.87Å; E97-R155 VanDerWaalsContact OE1-CZ 3.31Å; E97-R155 IonicContact OE1-NH1 2.69Å; E97-R155 PolarHBondContact OE1-NH1 2.93Å; E97-R155 IonicContact OE1-NH2 3.9Å; E151-R155 PolarHBondContact O-N 3.05Å; I152-R155 VanDerWaalsContact O-CB 3.3Å; I152-R155 WeakPolarHBondContact O-CB 3.39Å; I152-R155 PolarHBondContact O-N 2.97Å; R153-R155 VanDerWaalsContact C-N 3.34Å; R155-Y157 PolarHBondContact O-N 2.98Å; R155-N158 PolarHBondContact O-N 3.2Å; R155-F159 PolarHBondContact O-N 3.14Å
156	Y	91.7	Very high	90.8	Very high	88 Å²	88	30.8 Å²	30.8	35%	0.345	14%	0.138	S	C	.	.	H	α-helix	trans	-63	-41.5	177.4	-74	-63.1	0	0	0	112.4	I152 R153 I154 N158 F159 H160	I152-Y156 HydrophobicContact CG2-CD2 3.84Å; I152-Y156 HydrophobicContact CG2-CE2 3.48Å; I152-Y156 VanDerWaalsContact CG2-CE2 3.48Å; I152-Y156 WeakPolarHBondContact O-CD2 3.46Å; I152-Y156 PolarHBondContact O-N 3.13Å; I152-Y156 VanDerWaalsContact O-N 3.09Å; R153-Y156 PolarHBondContact O-N 2.88Å; I154-Y156 PolarHBondContact O-N 3.18Å; Y156-N158 VanDerWaalsContact C-N 3.33Å; Y156-N158 PolarHBondContact O-N 3.31Å; Y156-F159 WeakPolarHBondContact O-CB 3.45Å; Y156-F159 PolarHBondContact O-N 3.22Å; Y156-H160 PolarHBondContact O-CD2 3.01Å; Y156-H160 PolarHBondContact O-N 3.3Å
157	Y	93	Very high	90.1	Very high	34 Å²	34	30.6 Å²	30.6	13%	0.133	14%	0.137	C	C	.	.	H	α-helix	trans	-58.3	-48.5	176	177.8	-92.7	0	0	0	111	F2 L43 L46 E47 R153 I154 R155 F159 H160 L161	F2-Y157 AromaticContact CD1-CD1 3.61Å; F2-Y157 HydrophobicContact CD1-CD1 3.61Å; F2-Y157 AromaticContact CD1-CE1 3.52Å; F2-Y157 HydrophobicContact CD1-CE1 3.52Å; F2-Y157 AromaticContact CE1-CD1 3.66Å; F2-Y157 HydrophobicContact CE1-CD1 3.66Å; F2-Y157 AromaticContact CE1-CE1 3.73Å; F2-Y157 HydrophobicContact CE1-CE1 3.73Å; F2-Y157 HydrophobicContact CE1-CG 4.17Å; L43-Y157 HydrophobicContact CD2-CD2 3.74Å; L43-Y157 HydrophobicContact CD2-CE2 3.64Å; L43-Y157 HydrophobicContact CD2-CG 4.35Å; L43-Y157 WeakPolarHBondContact CD2-O 3.21Å; L46-Y157 HydrophobicContact CB-CD2 4Å; E47-Y157 HydrophobicContact CB-CD2 4.27Å; E47-Y157 HydrophobicContact CB-CE2 3.84Å; E47-Y157 HydrophobicContact CG-CE2 4.44Å; R153-Y157 WeakPolarHBondContact O-CB 2.91Å; R153-Y157 PolarHBondContact O-N 2.97Å; I154-Y157 WeakPolarHBondContact O-CB 3.39Å; I154-Y157 PolarHBondContact O-N 3.16Å; R155-Y157 PolarHBondContact O-N 2.98Å; Y157-F159 VanDerWaalsContact C-N 3.32Å; Y157-F159 PolarHBondContact O-N 3.11Å; Y157-H160 PolarHBondContact O-N 3.29Å; Y157-L161 HydrophobicContact CE1-CD2 4.15Å; Y157-L161 VanDerWaalsContact O-CB 3.31Å; Y157-L161 WeakPolarHBondContact O-CB 3.49Å; Y157-L161 PolarHBondContact O-N 2.76Å
158	N	88.7	Confident	89.6	Confident	9 Å²	9	33.3 Å²	33.3	5%	0.048	15%	0.154	C	C	.	.	H	α-helix	trans	-62.2	-38.3	177.2	-77.2	-5.2	0	0	0	112	I5 L94 I154 R155 Y156 L161 F162	I5-N158 HydrophobicContact CD1-CB 3.65Å; I5-N158 HydrophobicContact CG1-CB 4.28Å; L94-N158 HydrophobicContact CD2-CB 3.71Å; I154-N158 VanDerWaalsContact O-CB 3.26Å; I154-N158 WeakPolarHBondContact O-CB 3.4Å; I154-N158 VanDerWaalsContact O-CG 3.24Å; I154-N158 PolarHBondContact O-N 3.25Å; R155-N158 PolarHBondContact O-N 3.2Å; Y156-N158 VanDerWaalsContact C-N 3.33Å; Y156-N158 PolarHBondContact O-N 3.31Å; N158-L161 PolarHBondContact O-N 2.96Å; N158-F162 PolarHBondContact O-N 3.2Å
159	F	87.5	Confident	88.8	Confident	44 Å²	44	34.2 Å²	34.2	19%	0.193	16%	0.158	C	C	.	.	H	α-helix	trans	-58.6	-54.6	173.3	179.6	-98	0	0	0	111.3	L94 Y98 R155 Y156 Y157 L161 F162 K163	L94-F159 HydrophobicContact CD1-CB 3.68Å; L94-F159 HydrophobicContact CD1-CD2 3.88Å; L94-F159 HydrophobicContact CD1-CG 4.27Å; Y98-F159 HydrophobicContact CD1-CD2 4.48Å; Y98-F159 HydrophobicContact CD1-CE2 4.25Å; Y98-F159 AromaticContact CE1-CD2 3.7Å; Y98-F159 HydrophobicContact CE1-CD2 3.7Å; Y98-F159 AromaticContact CE1-CE2 3.64Å; Y98-F159 HydrophobicContact CE1-CE2 3.64Å; Y98-F159 HydrophobicContact CE2-CD2 4.12Å; Y98-F159 AromaticContact CZ-CD2 3.48Å; Y98-F159 VanDerWaalsContact CZ-CD2 3.48Å; Y98-F159 AromaticContact CZ-CE2 3.94Å; Y98-F159 WeakPolarHBondContact OH-CA 3.42Å; Y98-F159 WeakPolarHBondContact OH-CD2 3.33Å; Y98-F159 PolarHBondContact OH-O 3.23Å; R155-F159 PolarHBondContact O-N 3.14Å; Y156-F159 WeakPolarHBondContact O-CB 3.45Å; Y156-F159 PolarHBondContact O-N 3.22Å; Y157-F159 VanDerWaalsContact C-N 3.32Å; Y157-F159 PolarHBondContact O-N 3.11Å; F159-L161 VanDerWaalsContact C-N 3.26Å; F159-L161 PolarHBondContact O-N 2.89Å; F159-F162 PolarHBondContact O-N 3.45Å; F159-K163 PolarHBondContact O-N 3.16Å
160	H	89.4	Confident	88.1	Confident	31 Å²	31	30.7 Å²	30.7	14%	0.144	14%	0.141	C	C	.	.	H	α-helix	trans	-66.6	-29.8	-179.3	-75.7	-74.4	0	0	0	112.6	N39 L43 L46 Y156 Y157 K163 H164	N39-H160 PolarHBondContact ND2-ND1 3.46Å; N39-H160 PolarHBondContact ND2-O 3.45Å; N39-H160 PolarHBondContact OD1-O 2.64Å; L43-H160 HydrophobicContact CD2-CB 3.81Å; L43-H160 HydrophobicContact CG-CB 3.94Å; L46-H160 HydrophobicContact CD1-CB 4.36Å; L46-H160 VanDerWaalsContact CD1-CD2 3.47Å; L46-H160 WeakPolarHBondContact CD1-CD2 3.35Å; Y156-H160 PolarHBondContact O-CD2 3.01Å; Y156-H160 PolarHBondContact O-N 3.3Å; Y157-H160 PolarHBondContact O-N 3.29Å; H160-K163 PolarHBondContact O-N 3.42Å; H160-H164 WeakPolarHBondContact O-CB 3.5Å; H160-H164 PolarHBondContact O-N 3.29Å
161	L	88.8	Confident	87.5	Confident	26 Å²	26	30.4 Å²	30.4	14%	0.136	14%	0.14	C	C	.	.	H	α-helix	trans	-65	-48	179.5	-179.4	62.4	0	0	0	111.1	I9 L43 Y157 N158 F159 H164 Q165	I9-L161 HydrophobicContact CD1-CD2 4.46Å; L43-L161 HydrophobicContact CD1-CD1 4.49Å; L43-L161 HydrophobicContact CD2-CB 4.06Å; Y157-L161 HydrophobicContact CE1-CD2 4.15Å; Y157-L161 VanDerWaalsContact O-CB 3.31Å; Y157-L161 WeakPolarHBondContact O-CB 3.49Å; Y157-L161 PolarHBondContact O-N 2.76Å; N158-L161 PolarHBondContact O-N 2.96Å; F159-L161 VanDerWaalsContact C-N 3.26Å; F159-L161 PolarHBondContact O-N 2.89Å; L161-H164 WeakPolarHBondContact O-CB 3.38Å; L161-H164 PolarHBondContact O-N 3.18Å; L161-Q165 PolarHBondContact O-N 3.29Å; L161-Q165 VanDerWaalsContact O-N 3.16Å; L161-Q165 PolarHBondContact O-OE1 3.07Å
162	F	82.9	Confident	86.9	Confident	4 Å²	4	34.4 Å²	34.4	2%	0.018	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-43.6	174.4	171	-88.6	0	0	0	111.3	I5 I22 I23 Y98 I100 W106 N158 F159 H164 Q165 L166	I5-F162 HydrophobicContact CG2-CB 4.29Å; I22-F162 HydrophobicContact CG2-CE1 3.69Å; I22-F162 HydrophobicContact CG2-CZ 3.8Å; I23-F162 HydrophobicContact CD1-CD1 4.06Å; I23-F162 HydrophobicContact CD1-CE1 4.07Å; I23-F162 HydrophobicContact CG1-CE1 4.23Å; Y98-F162 HydrophobicContact CD1-CD1 4.21Å; Y98-F162 HydrophobicContact CD1-CE1 4.05Å; Y98-F162 AromaticContact CE1-CD1 3.28Å; Y98-F162 HydrophobicContact CE1-CD1 3.28Å; Y98-F162 AromaticContact CE1-CE1 3.54Å; Y98-F162 HydrophobicContact CE1-CE1 3.54Å; Y98-F162 HydrophobicContact CE1-CG 4.18Å; Y98-F162 HydrophobicContact CE2-CD1 4.41Å; Y98-F162 AromaticContact CZ-CD1 3.41Å; Y98-F162 VanDerWaalsContact CZ-CD1 3.41Å; Y98-F162 AromaticContact CZ-CG 3.85Å; Y98-F162 WeakPolarHBondContact OH-CB 3.13Å; Y98-F162 WeakPolarHBondContact OH-CD1 3.29Å; Y98-F162 WeakPolarHBondContact OH-CG 3.42Å; I100-F162 HydrophobicContact CD1-CE1 4.41Å; I100-F162 HydrophobicContact CD1-CZ 4.01Å; W106-F162 AromaticContact CD2-CE2 3.98Å; W106-F162 HydrophobicContact CD2-CE2 3.98Å; W106-F162 HydrophobicContact CD2-CZ 4.39Å; W106-F162 AromaticContact CE3-CE2 3.78Å; W106-F162 HydrophobicContact CE3-CE2 3.78Å; W106-F162 HydrophobicContact CH2-CD2 4.42Å; W106-F162 AromaticContact CH2-CE2 3.86Å; W106-F162 HydrophobicContact CH2-CE2 3.86Å; W106-F162 HydrophobicContact CZ2-CE2 4.05Å; W106-F162 HydrophobicContact CZ3-CD2 4.28Å; W106-F162 AromaticContact CZ3-CE2 3.7Å; W106-F162 HydrophobicContact CZ3-CE2 3.7Å; N158-F162 PolarHBondContact O-N 3.2Å; F159-F162 PolarHBondContact O-N 3.45Å; F162-H164 VanDerWaalsContact C-N 3.27Å; F162-H164 PolarHBondContact O-N 2.91Å; F162-Q165 PolarHBondContact O-N 3.23Å; F162-L166 HydrophobicContact CE1-CD2 4.45Å; F162-L166 WeakPolarHBondContact O-CB 3.41Å; F162-L166 PolarHBondContact O-N 3.22Å
163	K	83.8	Confident	86.2	Confident	16 Å²	16	33.9 Å²	33.9	7%	0.07	15%	0.154	C	C	.	.	H	α-helix	trans	-56.8	-40.7	173.7	-179	166.1	-178.9	170	0	112.4	I23 F25 E28 N39 F159 H160 L167	I23-K163 HydrophobicContact CD1-CB 3.52Å; I23-K163 HydrophobicContact CD1-CD 4.18Å; I23-K163 HydrophobicContact CD1-CG 3.62Å; I23-K163 HydrophobicContact CG2-CD 4.04Å; F25-K163 HydrophobicContact CZ-CG 4.34Å; E28-K163 IonicContact OE1-NZ 2.66Å; E28-K163 PolarHBondContact OE1-NZ 3.25Å; E28-K163 IonicContact OE2-NZ 2.78Å; E28-K163 PolarHBondContact OE2-NZ 2.9Å; N39-K163 WeakPolarHBondContact ND2-CB 3.44Å; N39-K163 WeakPolarHBondContact ND2-CD 3.46Å; N39-K163 WeakPolarHBondContact ND2-CG 3.43Å; F159-K163 PolarHBondContact O-N 3.16Å; H160-K163 PolarHBondContact O-N 3.42Å; K163-L167 HydrophobicContact CG-CD1 3.88Å; K163-L167 HydrophobicContact CG-CG 4.41Å; K163-L167 WeakPolarHBondContact O-CB 3.46Å; K163-L167 WeakPolarHBondContact O-CD1 3.45Å; K163-L167 WeakPolarHBondContact O-CG 3.48Å; K163-L167 PolarHBondContact O-N 3.04Å
164	H	87.6	Confident	85.4	Confident	43 Å²	43	33.7 Å²	33.7	20%	0.199	16%	0.158	C	C	.	.	H	α-helix	trans	-60.8	-45	177.7	-169.3	77.1	0	0	0	112.2	L36 N39 L43 H160 L161 F162 T168	L36-H164 VanDerWaalsContact CD1-CE1 3.44Å; L36-H164 WeakPolarHBondContact CD1-CE1 3.2Å; L36-H164 WeakPolarHBondContact CD1-ND1 3.46Å; L36-H164 WeakPolarHBondContact CD1-O 3.43Å; N39-H164 VanDerWaalsContact OD1-CB 3.26Å; N39-H164 WeakPolarHBondContact OD1-CB 3.43Å; L43-H164 HydrophobicContact CD1-CB 3.68Å; H160-H164 WeakPolarHBondContact O-CB 3.5Å; H160-H164 PolarHBondContact O-N 3.29Å; L161-H164 WeakPolarHBondContact O-CB 3.38Å; L161-H164 PolarHBondContact O-N 3.18Å; F162-H164 VanDerWaalsContact C-N 3.27Å; F162-H164 PolarHBondContact O-N 2.91Å; H164-T168 WeakPolarHBondContact O-CB 3.08Å; H164-T168 PolarHBondContact O-N 2.91Å; H164-T168 PolarHBondContact O-OG1 3.44Å
165	Q	82.1	Confident	84.9	Confident	39 Å²	39	39.8 Å²	39.8	18%	0.182	18%	0.184	C	C	.	.	H	α-helix	trans	-68	-46.3	180	-74.9	149.2	-15.1	0	0	111.2	I9 L161 F162 L167 T168 D169	I9-Q165 VanDerWaalsContact CD1-CD 3.41Å; I9-Q165 VanDerWaalsContact CG2-CD 3.45Å; I9-Q165 HydrophobicContact CG2-CG 4.19Å; I9-Q165 VanDerWaalsContact CG2-NE2 3.26Å; L161-Q165 PolarHBondContact O-N 3.29Å; L161-Q165 VanDerWaalsContact O-N 3.16Å; L161-Q165 PolarHBondContact O-OE1 3.07Å; F162-Q165 PolarHBondContact O-N 3.23Å; Q165-L167 VanDerWaalsContact C-N 3.29Å; Q165-L167 PolarHBondContact O-N 3.37Å; Q165-T168 CarbonylContact O-C 3.58Å; Q165-T168 WeakPolarHBondContact O-CA 3.37Å; Q165-T168 WeakPolarHBondContact O-CB 3.44Å; Q165-T168 PolarHBondContact O-N 3.43Å; Q165-D169 PolarHBondContact O-N 2.96Å
166	L	79	Confident	84.4	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-53.7	-48.3	175.5	-176.9	65.1	0	0	0	111.7	F19 I22 I23 F25 F162 T168 D169 I170	F19-L166 HydrophobicContact CB-CD1 3.79Å; F19-L166 HydrophobicContact CD1-CD1 3Å; F19-L166 HydrophobicContact CD1-CG 4.4Å; F19-L166 HydrophobicContact CE1-CD1 3.48Å; F19-L166 VanDerWaalsContact CE1-CD1 3.48Å; F19-L166 HydrophobicContact CG-CD1 3.58Å; F19-L166 HydrophobicContact CZ-CD1 4.44Å; I22-L166 HydrophobicContact CB-CD2 4.46Å; I22-L166 HydrophobicContact CG2-CD2 4.36Å; I23-L166 HydrophobicContact CB-CD2 4.32Å; I23-L166 HydrophobicContact CD1-CB 4.45Å; I23-L166 HydrophobicContact CD1-CD2 3.42Å; I23-L166 VanDerWaalsContact CD1-CD2 3.42Å; I23-L166 HydrophobicContact CG1-CD2 3.57Å; F25-L166 HydrophobicContact CE2-CD2 3.95Å; F162-L166 HydrophobicContact CE1-CD2 4.45Å; F162-L166 WeakPolarHBondContact O-CB 3.41Å; F162-L166 PolarHBondContact O-N 3.22Å; L166-T168 VanDerWaalsContact C-N 3.31Å; L166-T168 PolarHBondContact O-N 3.42Å; L166-D169 PolarHBondContact O-N 3.38Å; L166-I170 HydrophobicContact CD1-CD1 4.47Å; L166-I170 HydrophobicContact CG-CD1 4.13Å; L166-I170 WeakPolarHBondContact O-CD1 3.49Å; L166-I170 VanDerWaalsContact O-CG1 3.24Å; L166-I170 WeakPolarHBondContact O-CG1 3.24Å; L166-I170 PolarHBondContact O-N 2.99Å
167	L	83.3	Confident	83.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-38.8	176.1	-74	168.9	0	0	0	112.7	F25 I32 L35 L36 N39 K163 Q165 I171	F25-L167 HydrophobicContact CE1-CD2 3.58Å; F25-L167 HydrophobicContact CE1-CG 4.3Å; F25-L167 HydrophobicContact CE2-CD2 4.31Å; F25-L167 HydrophobicContact CZ-CD1 4.23Å; F25-L167 HydrophobicContact CZ-CD2 3.33Å; F25-L167 HydrophobicContact CZ-CG 3.72Å; I32-L167 HydrophobicContact CD1-CD2 3.9Å; I32-L167 HydrophobicContact CG1-CD2 3.4Å; I32-L167 VanDerWaalsContact CG1-CD2 3.4Å; L35-L167 HydrophobicContact CB-CD1 4.17Å; L35-L167 HydrophobicContact CB-CD2 4.19Å; L36-L167 HydrophobicContact CB-CB 4.29Å; L36-L167 HydrophobicContact CB-CD1 4.46Å; L36-L167 HydrophobicContact CD1-CB 3.73Å; N39-L167 HydrophobicContact CB-CD1 4.3Å; K163-L167 HydrophobicContact CG-CD1 3.88Å; K163-L167 HydrophobicContact CG-CG 4.41Å; K163-L167 WeakPolarHBondContact O-CB 3.46Å; K163-L167 WeakPolarHBondContact O-CD1 3.45Å; K163-L167 WeakPolarHBondContact O-CG 3.48Å; K163-L167 PolarHBondContact O-N 3.04Å; Q165-L167 VanDerWaalsContact C-N 3.29Å; Q165-L167 PolarHBondContact O-N 3.37Å; L167-I171 WeakPolarHBondContact O-CB 3.24Å; L167-I171 WeakPolarHBondContact O-CD1 3.32Å; L167-I171 VanDerWaalsContact O-CG1 3.32Å; L167-I171 WeakPolarHBondContact O-CG1 3.46Å; L167-I171 PolarHBondContact O-N 3.43Å; L167-I171 VanDerWaalsContact O-N 3.07Å
168	T	86.4	Confident	81.7	Confident	57 Å²	57	56 Å²	56	35%	0.35	26%	0.264	S	S	.	.	H	α-helix	trans	-66.4	-43.4	178.4	-59.7	0	0	0	0	111.2	L36 H164 Q165 L166 I171 K172	L36-T168 WeakPolarHBondContact CD1-OG1 3.48Å; H164-T168 WeakPolarHBondContact O-CB 3.08Å; H164-T168 PolarHBondContact O-N 2.91Å; H164-T168 PolarHBondContact O-OG1 3.44Å; Q165-T168 CarbonylContact O-C 3.58Å; Q165-T168 WeakPolarHBondContact O-CA 3.37Å; Q165-T168 WeakPolarHBondContact O-CB 3.44Å; Q165-T168 PolarHBondContact O-N 3.43Å; L166-T168 VanDerWaalsContact C-N 3.31Å; L166-T168 PolarHBondContact O-N 3.42Å; T168-I171 PolarHBondContact O-N 2.9Å; T168-K172 WeakPolarHBondContact O-CB 3.24Å; T168-K172 PolarHBondContact O-N 2.83Å
169	D	79.6	Confident	81.4	Confident	53 Å²	53	58.4 Å²	58.4	28%	0.283	28%	0.275	S	S	.	.	H	α-helix	trans	-65.3	-45.1	179.5	-66	-24.4	0	0	0	110.8	F19 Q165 L166 I171 K172 E173	F19-D169 HydrophobicContact CZ-CB 4.39Å; Q165-D169 PolarHBondContact O-N 2.96Å; L166-D169 PolarHBondContact O-N 3.38Å; D169-I171 PolarHBondContact O-N 3.42Å; D169-K172 WeakPolarHBondContact O-CB 3.21Å; D169-K172 PolarHBondContact O-N 2.97Å; D169-K172 VanDerWaalsContact O-N 3.15Å; D169-E173 WeakPolarHBondContact O-CG 3.4Å; D169-E173 PolarHBondContact O-N 2.94Å
170	I	79.5	Confident	81.1	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-59.1	-47.1	174.8	-62.5	161.2	0	0	0	111.1	F19 I32 L166 K172 E173 M174	F19-I170 HydrophobicContact CB-CD1 3.88Å; F19-I170 HydrophobicContact CB-CG1 3.96Å; F19-I170 HydrophobicContact CD2-CD1 4.5Å; F19-I170 HydrophobicContact CD2-CG1 3.65Å; F19-I170 HydrophobicContact CE2-CG1 4.31Å; F19-I170 HydrophobicContact CG-CD1 4.42Å; F19-I170 HydrophobicContact CG-CG1 4.02Å; I32-I170 HydrophobicContact CD1-CB 3.6Å; I32-I170 HydrophobicContact CD1-CD1 4.05Å; I32-I170 HydrophobicContact CD1-CG1 4.46Å; I32-I170 HydrophobicContact CD1-CG2 3.29Å; L166-I170 HydrophobicContact CD1-CD1 4.47Å; L166-I170 HydrophobicContact CG-CD1 4.13Å; L166-I170 WeakPolarHBondContact O-CD1 3.49Å; L166-I170 VanDerWaalsContact O-CG1 3.24Å; L166-I170 WeakPolarHBondContact O-CG1 3.24Å; L166-I170 PolarHBondContact O-N 2.99Å; I170-K172 VanDerWaalsContact C-N 3.26Å; I170-K172 PolarHBondContact O-N 3.32Å; I170-E173 PolarHBondContact O-N 3.35Å; I170-M174 HydrophobicContact CG2-CG 4.21Å; I170-M174 HydrophobicContact CG2-SD 3.83Å; I170-M174 WeakPolarHBondContact O-CB 3Å; I170-M174 VanDerWaalsContact O-CG 3.24Å; I170-M174 WeakPolarHBondContact O-CG 3.43Å; I170-M174 PolarHBondContact O-N 3Å
171	I	84	Confident	80.6	Confident	14 Å²	14	60.7 Å²	60.7	7%	0.072	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-37.9	178.6	-75.6	164.3	0	0	0	111.2	I32 E33 L36 L167 T168 D169 K175	I32-I171 HydrophobicContact CB-CG1 4.44Å; I32-I171 HydrophobicContact CD1-CG1 4.09Å; I32-I171 HydrophobicContact CG1-CD1 4.2Å; I32-I171 HydrophobicContact CG1-CG1 4.09Å; I32-I171 HydrophobicContact CG2-CD1 4.05Å; I32-I171 HydrophobicContact CG2-CG1 3.62Å; E33-I171 HydrophobicContact CG-CD1 4.29Å; L36-I171 HydrophobicContact CB-CD1 4.08Å; L36-I171 HydrophobicContact CD2-CD1 3.64Å; L36-I171 HydrophobicContact CG-CD1 4.42Å; L167-I171 WeakPolarHBondContact O-CB 3.24Å; L167-I171 WeakPolarHBondContact O-CD1 3.32Å; L167-I171 VanDerWaalsContact O-CG1 3.32Å; L167-I171 WeakPolarHBondContact O-CG1 3.46Å; L167-I171 PolarHBondContact O-N 3.43Å; L167-I171 VanDerWaalsContact O-N 3.07Å; T168-I171 PolarHBondContact O-N 2.9Å; D169-I171 PolarHBondContact O-N 3.42Å; I171-K175 HydrophobicContact CG2-CD 4.21Å; I171-K175 WeakPolarHBondContact O-CG 3.32Å; I171-K175 PolarHBondContact O-N 3.33Å
172	K	83.6	Confident	80.1	Confident	99 Å²	99	62.8 Å²	62.8	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-50.6	177.5	-177.2	-175.7	169.3	-168.9	0	110.7	T168 D169 I170 M174 K175 E176	T168-K172 WeakPolarHBondContact O-CB 3.24Å; T168-K172 PolarHBondContact O-N 2.83Å; D169-K172 WeakPolarHBondContact O-CB 3.21Å; D169-K172 PolarHBondContact O-N 2.97Å; D169-K172 VanDerWaalsContact O-N 3.15Å; I170-K172 VanDerWaalsContact C-N 3.26Å; I170-K172 PolarHBondContact O-N 3.32Å; K172-M174 VanDerWaalsContact C-N 3.34Å; K172-M174 PolarHBondContact O-N 3.32Å; K172-K175 PolarHBondContact O-N 3.31Å; K172-K175 VanDerWaalsContact O-N 3.09Å; K172-E176 WeakPolarHBondContact CE-OE1 3.39Å; K172-E176 IonicContact NZ-OE1 3.99Å; K172-E176 PolarHBondContact O-N 3.43Å
173	E	78.4	Confident	80	Confident	32 Å²	32	66.4 Å²	66.4	15%	0.15	31%	0.313	C	S	.	.	H	α-helix	trans	-61.2	-40.9	178.3	-71.1	-177.5	-177.5	0	0	112.5	L14 I16 D169 I170 K175 E176 S177	L14-E173 VanDerWaalsContact O-OE2 3.12Å; I16-E173 HydrophobicContact CD1-CB 4.32Å; I16-E173 HydrophobicContact CG1-CB 4.35Å; I16-E173 WeakPolarHBondContact CG1-OE2 3.47Å; D169-E173 WeakPolarHBondContact O-CG 3.4Å; D169-E173 PolarHBondContact O-N 2.94Å; I170-E173 PolarHBondContact O-N 3.35Å; E173-K175 PolarHBondContact O-N 3.15Å; E173-E176 PolarHBondContact O-N 3.19Å; E173-S177 WeakPolarHBondContact O-CB 2.93Å; E173-S177 PolarHBondContact O-N 2.79Å; E173-S177 PolarHBondContact O-OG 2.99Å
174	M	79.4	Confident	79.7	Confident	74 Å²	74	69.8 Å²	69.8	37%	0.365	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-30.9	175.3	-74.7	177.1	67.7	0	0	113.1	I16 I32 I170 K172	I16-M174 HydrophobicContact CD1-CG 4.38Å; I32-M174 HydrophobicContact CG2-SD 4.33Å; I170-M174 HydrophobicContact CG2-CG 4.21Å; I170-M174 HydrophobicContact CG2-SD 3.83Å; I170-M174 WeakPolarHBondContact O-CB 3Å; I170-M174 VanDerWaalsContact O-CG 3.24Å; I170-M174 WeakPolarHBondContact O-CG 3.43Å; I170-M174 PolarHBondContact O-N 3Å; K172-M174 VanDerWaalsContact C-N 3.34Å; K172-M174 PolarHBondContact O-N 3.32Å
175	K	82.5	Confident	79.1	Confident	141 Å²	141	71.7 Å²	71.7	61%	0.613	34%	0.339	S	S	*	.	H	α-helix	trans	-81.2	-37.3	177.2	-75.2	173.7	-179.3	176.4	0	112.4	I171 K172 E173 S177 R178	I171-K175 HydrophobicContact CG2-CD 4.21Å; I171-K175 WeakPolarHBondContact O-CG 3.32Å; I171-K175 PolarHBondContact O-N 3.33Å; K172-K175 PolarHBondContact O-N 3.31Å; K172-K175 VanDerWaalsContact O-N 3.09Å; E173-K175 PolarHBondContact O-N 3.15Å; K175-S177 VanDerWaalsContact C-N 3.26Å; K175-R178 PolarHBondContact O-N 3.09Å
176	E	80.3	Confident	78.9	Confident	123 Å²	123	74.2 Å²	74.2	58%	0.575	35%	0.351	S	S	*	.	H	α-helix	trans	-72	-22.5	177.3	-70.6	175	178.6	0	0	112.4	K172 E173 R178	K172-E176 WeakPolarHBondContact CE-OE1 3.39Å; K172-E176 IonicContact NZ-OE1 3.99Å; K172-E176 PolarHBondContact O-N 3.43Å; E173-E176 PolarHBondContact O-N 3.19Å; E176-R178 VanDerWaalsContact C-N 3.34Å
177	S	71.6	Confident	78.9	Confident	96 Å²	96	80.3 Å²	80.3	67%	0.671	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.1	176.2	-54.5	0	0	0	0	114.5	E173 K175	E173-S177 WeakPolarHBondContact O-CB 2.93Å; E173-S177 PolarHBondContact O-N 2.79Å; E173-S177 PolarHBondContact O-OG 2.99Å; K175-S177 VanDerWaalsContact C-N 3.26Å
178	R	58.3	Low	78.5	Confident	269 Å²	269	87.5 Å²	87.5	100%	1.015	41%	0.414	S	S	*	.			trans	-101.5	0	175.5	-76.6	-173	-171.3	-177.9	4.2	111.2	K175 E176	K175-R178 PolarHBondContact O-N 3.09Å; E176-R178 VanDerWaalsContact C-N 3.34Å

Retrieved 178 of 178 residues in 172.8 ms (Link to these results)

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