A0A5K4F7H9_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F7H9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 148 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.6	Low	47.3	Very low	190 Å²	190	115.5 Å²	115.5	94%	0.936	59%	0.59	S	S	*	*				0	-33.1	0	-83.4	-173.1	73.8	0	0	115.2	V3	M1-V3 PolarHBondContact O-N 3.38Å
2	H	46.9	Very low	47.7	Very low	163 Å²	163	113.1 Å²	113.1	76%	0.755	58%	0.578	S	S	*	*	H	α-helix	trans	-71.8	-23.4	179.4	-114.4	-27.3	0	0	0	115.2
3	V	45.1	Very low	48.5	Very low	125 Å²	125	112.3 Å²	112.3	76%	0.758	58%	0.575	S	S	*	*	H	α-helix	trans	-76.6	-31.4	-179.4	-176	0	0	0	0	112.2	M1 S6	M1-V3 PolarHBondContact O-N 3.38Å; V3-S6 PolarHBondContact O-N 3.26Å
4	E	40.5	Very low	48.7	Very low	130 Å²	130	111.2 Å²	111.2	61%	0.607	57%	0.57	S	S	*	*	H	α-helix	trans	-74.5	-29	179.9	-66.7	170	154.1	0	0	112.8	S6 S7	E4-S6 VanDerWaalsContact C-N 3.28Å; E4-S6 PolarHBondContact O-N 3.23Å; E4-S7 PolarHBondContact O-N 3.16Å; E4-S7 PolarHBondContact O-OG 2.92Å
5	I	43.4	Very low	49.1	Very low	79 Å²	79	109.9 Å²	109.9	41%	0.405	56%	0.563	S	S	.	*	H	α-helix	trans	-66.9	-34.1	174	-66.5	172.3	0	0	0	110.3	S7 I8 Y9	I5-S7 PolarHBondContact O-N 3.41Å; I5-I8 PolarHBondContact O-N 3.12Å; I5-Y9 HydrophobicContact CG2-CD2 4.07Å; I5-Y9 HydrophobicContact CG2-CE2 3.53Å; I5-Y9 WeakPolarHBondContact O-CD2 3.49Å; I5-Y9 PolarHBondContact O-N 3.49Å
6	S	45.5	Very low	49.3	Very low	72 Å²	72	109.5 Å²	109.5	50%	0.503	56%	0.56	S	S	.	*	H	α-helix	trans	-67.7	-32.7	178.5	-65.7	0	0	0	0	112.9	V3 E4 I10	V3-S6 PolarHBondContact O-N 3.26Å; E4-S6 VanDerWaalsContact C-N 3.28Å; E4-S6 PolarHBondContact O-N 3.23Å; S6-I10 WeakPolarHBondContact O-CG1 3.37Å; S6-I10 PolarHBondContact O-N 3.21Å
7	S	42.5	Very low	49.6	Very low	56 Å²	56	107.3 Å²	107.3	39%	0.392	55%	0.549	S	S	.	.	H	α-helix	trans	-71.7	-34.9	178.8	60.8	0	0	0	0	112.6	E4 I5 Y9 I10 I11	E4-S7 PolarHBondContact O-N 3.16Å; E4-S7 PolarHBondContact O-OG 2.92Å; I5-S7 PolarHBondContact O-N 3.41Å; S7-Y9 PolarHBondContact O-N 3.11Å; S7-I10 PolarHBondContact O-N 3.03Å; S7-I11 WeakPolarHBondContact O-CG1 3.36Å; S7-I11 PolarHBondContact O-N 3.16Å
8	I	53	Low	49.7	Very low	98 Å²	98	108.9 Å²	108.9	50%	0.503	56%	0.556	S	S	.	*	H	α-helix	trans	-61.2	-43.7	175.4	-66.3	171.7	0	0	0	110.9	I5 I10 I11 I12	I5-I8 PolarHBondContact O-N 3.12Å; I8-I10 VanDerWaalsContact C-N 3.34Å; I8-I10 PolarHBondContact O-N 2.99Å; I8-I11 PolarHBondContact O-N 3.01Å; I8-I12 HydrophobicContact CG2-CD1 3.93Å; I8-I12 WeakPolarHBondContact O-CG1 3.32Å; I8-I12 PolarHBondContact O-N 3.45Å
9	Y	50.5	Low	49.9	Very low	163 Å²	163	108.4 Å²	108.4	64%	0.639	55%	0.554	S	S	*	*	H	α-helix	trans	-63.4	-38	177	-72.1	-63.5	0	0	0	112.7	I5 S7 L13	I5-Y9 HydrophobicContact CG2-CD2 4.07Å; I5-Y9 HydrophobicContact CG2-CE2 3.53Å; I5-Y9 WeakPolarHBondContact O-CD2 3.49Å; I5-Y9 PolarHBondContact O-N 3.49Å; S7-Y9 PolarHBondContact O-N 3.11Å; Y9-L13 WeakPolarHBondContact O-CB 3.4Å; Y9-L13 PolarHBondContact O-N 2.95Å
10	I	51.5	Low	50.1	Low	99 Å²	99	105.4 Å²	105.4	51%	0.508	54%	0.538	S	S	.	.	H	α-helix	trans	-65.4	-42.6	175.2	-66.1	168.8	0	0	0	111	S6 S7 I8 L13 L14	S6-I10 WeakPolarHBondContact O-CG1 3.37Å; S6-I10 PolarHBondContact O-N 3.21Å; S7-I10 PolarHBondContact O-N 3.03Å; I8-I10 VanDerWaalsContact C-N 3.34Å; I8-I10 PolarHBondContact O-N 2.99Å; I10-L13 WeakPolarHBondContact O-CB 3.32Å; I10-L13 PolarHBondContact O-N 3.29Å; I10-L14 HydrophobicContact CG2-CD1 4.15Å; I10-L14 HydrophobicContact CG2-CG 4.45Å; I10-L14 WeakPolarHBondContact O-CG 3.27Å; I10-L14 PolarHBondContact O-N 2.68Å
11	I	49.3	Very low	50.2	Low	95 Å²	95	105.3 Å²	105.3	49%	0.487	54%	0.538	S	S	.	.	H	α-helix	trans	-62.5	-45.1	178	-68.4	165.5	0	0	0	110.9	S7 I8 L13 L14 I15	S7-I11 WeakPolarHBondContact O-CG1 3.36Å; S7-I11 PolarHBondContact O-N 3.16Å; I8-I11 PolarHBondContact O-N 3.01Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.33Å; I11-L14 PolarHBondContact O-N 2.93Å; I11-I15 HydrophobicContact CG2-CD1 3.99Å; I11-I15 WeakPolarHBondContact O-CG1 3.23Å; I11-I15 PolarHBondContact O-N 2.91Å
12	I	52.1	Low	50.7	Low	87 Å²	87	101.3 Å²	101.3	45%	0.446	52%	0.521	S	S	.	.	H	α-helix	trans	-60	-43.8	176	-67.6	168.9	0	0	0	110.3	I8 L14 I15 M16	I8-I12 HydrophobicContact CG2-CD1 3.93Å; I8-I12 WeakPolarHBondContact O-CG1 3.32Å; I8-I12 PolarHBondContact O-N 3.45Å; I12-L14 PolarHBondContact O-N 3.41Å; I12-I15 PolarHBondContact O-N 3.43Å; I12-M16 WeakPolarHBondContact O-CG 3.32Å; I12-M16 PolarHBondContact O-N 3.28Å
13	L	58.1	Low	51.1	Low	103 Å²	103	95.1 Å²	95.1	54%	0.539	49%	0.494	S	S	.	.	H	α-helix	trans	-60.6	-43.4	177.1	-170.9	71.3	0	0	0	112	Y9 I10 I11 M16 I17	Y9-L13 WeakPolarHBondContact O-CB 3.4Å; Y9-L13 PolarHBondContact O-N 2.95Å; I10-L13 WeakPolarHBondContact O-CB 3.32Å; I10-L13 PolarHBondContact O-N 3.29Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.33Å; L13-M16 PolarHBondContact O-N 3.18Å; L13-I17 HydrophobicContact CG-CD1 4.19Å; L13-I17 VanDerWaalsContact O-CG1 3.28Å; L13-I17 WeakPolarHBondContact O-CG1 3.5Å; L13-I17 PolarHBondContact O-N 3.1Å
14	L	51.3	Low	51.4	Low	97 Å²	97	90.3 Å²	90.3	51%	0.508	47%	0.466	S	S	.	.	H	α-helix	trans	-64.6	-39.8	176.8	-70.7	172.3	0	0	0	112.3	I10 I11 I12 I17 M18	I10-L14 HydrophobicContact CG2-CD1 4.15Å; I10-L14 HydrophobicContact CG2-CG 4.45Å; I10-L14 WeakPolarHBondContact O-CG 3.27Å; I10-L14 PolarHBondContact O-N 2.68Å; I11-L14 PolarHBondContact O-N 2.93Å; I12-L14 PolarHBondContact O-N 3.41Å; L14-I17 PolarHBondContact O-N 3.06Å; L14-M18 WeakPolarHBondContact O-CG 3.47Å; L14-M18 PolarHBondContact O-N 3.46Å
15	I	54.2	Low	52.1	Low	91 Å²	91	86.9 Å²	86.9	47%	0.467	46%	0.456	S	S	.	.	H	α-helix	trans	-63.4	-44	174.3	-68.2	168	0	0	0	110.4	I11 I12 I17 M18 I19	I11-I15 HydrophobicContact CG2-CD1 3.99Å; I11-I15 WeakPolarHBondContact O-CG1 3.23Å; I11-I15 PolarHBondContact O-N 2.91Å; I12-I15 PolarHBondContact O-N 3.43Å; I15-I17 VanDerWaalsContact C-N 3.31Å; I15-I17 PolarHBondContact O-N 2.87Å; I15-M18 PolarHBondContact O-N 3.37Å; I15-I19 HydrophobicContact CG2-CD1 3.75Å; I15-I19 HydrophobicContact CG2-CG1 4.42Å; I15-I19 VanDerWaalsContact O-CG1 3.25Å; I15-I19 WeakPolarHBondContact O-CG1 3.36Å; I15-I19 PolarHBondContact O-N 3.18Å
16	M	52	Low	52.7	Low	104 Å²	104	86.4 Å²	86.4	51%	0.512	46%	0.457	S	S	.	.	H	α-helix	trans	-59.6	-42.8	174.6	-68.7	-171.7	86.5	0	0	111.1	I12 L13 I19 I20	I12-M16 WeakPolarHBondContact O-CG 3.32Å; I12-M16 PolarHBondContact O-N 3.28Å; L13-M16 PolarHBondContact O-N 3.18Å; M16-I19 PolarHBondContact O-N 2.91Å; M16-I20 WeakPolarHBondContact O-CB 3.26Å; M16-I20 WeakPolarHBondContact O-CD1 3.42Å; M16-I20 WeakPolarHBondContact O-CG1 3.5Å; M16-I20 PolarHBondContact O-N 3.44Å
17	I	54.6	Low	53.1	Low	72 Å²	72	86.2 Å²	86.2	37%	0.369	45%	0.45	S	S	.	.	H	α-helix	trans	-62.3	-44.1	175.1	-68.2	165.2	0	0	0	111.9	L13 L14 I15 I19 I20 L21	L13-I17 HydrophobicContact CG-CD1 4.19Å; L13-I17 VanDerWaalsContact O-CG1 3.28Å; L13-I17 WeakPolarHBondContact O-CG1 3.5Å; L13-I17 PolarHBondContact O-N 3.1Å; L14-I17 PolarHBondContact O-N 3.06Å; I15-I17 VanDerWaalsContact C-N 3.31Å; I15-I17 PolarHBondContact O-N 2.87Å; I17-I19 PolarHBondContact O-N 3.34Å; I17-I20 WeakPolarHBondContact O-CB 3.29Å; I17-I20 PolarHBondContact O-N 3.12Å; I17-L21 HydrophobicContact CG2-CD1 3.96Å; I17-L21 HydrophobicContact CG2-CG 4.36Å; I17-L21 WeakPolarHBondContact O-CB 3.38Å; I17-L21 WeakPolarHBondContact O-CG 3.49Å; I17-L21 PolarHBondContact O-N 2.92Å
18	M	50.9	Low	53.9	Low	137 Å²	137	91.7 Å²	91.7	68%	0.675	47%	0.466	S	S	*	.	H	α-helix	trans	-62.2	-43.2	176.8	-73.1	-174.2	73.8	0	0	111.7	L14 I15 I20 L21 D22	L14-M18 WeakPolarHBondContact O-CG 3.47Å; L14-M18 PolarHBondContact O-N 3.46Å; I15-M18 PolarHBondContact O-N 3.37Å; M18-I20 VanDerWaalsContact C-N 3.33Å; M18-I20 PolarHBondContact O-N 3.38Å; M18-L21 PolarHBondContact O-N 3.27Å; M18-D22 WeakPolarHBondContact O-CB 3.38Å; M18-D22 PolarHBondContact O-N 2.92Å
19	I	53.8	Low	54.3	Low	99 Å²	99	97.2 Å²	97.2	51%	0.508	48%	0.481	S	S	.	.	H	α-helix	trans	-63.3	-41	175.5	-66	166.5	0	0	0	110.6	I15 M16 I17 D22 V23	I15-I19 HydrophobicContact CG2-CD1 3.75Å; I15-I19 HydrophobicContact CG2-CG1 4.42Å; I15-I19 VanDerWaalsContact O-CG1 3.25Å; I15-I19 WeakPolarHBondContact O-CG1 3.36Å; I15-I19 PolarHBondContact O-N 3.18Å; M16-I19 PolarHBondContact O-N 2.91Å; I17-I19 PolarHBondContact O-N 3.34Å; I19-D22 PolarHBondContact O-N 3.23Å; I19-V23 HydrophobicContact CG2-CG2 4.5Å; I19-V23 VanDerWaalsContact O-CG2 3.31Å; I19-V23 WeakPolarHBondContact O-CG2 3.45Å; I19-V23 PolarHBondContact O-N 2.91Å
20	I	53.4	Low	54.8	Low	48 Å²	48	92.2 Å²	92.2	25%	0.246	46%	0.464	C	S	.	.	H	α-helix	trans	-59.8	-47	175.3	-71.5	157.4	0	0	0	111.1	M16 I17 M18 S24 F131 I135	M16-I20 WeakPolarHBondContact O-CB 3.26Å; M16-I20 WeakPolarHBondContact O-CD1 3.42Å; M16-I20 WeakPolarHBondContact O-CG1 3.5Å; M16-I20 PolarHBondContact O-N 3.44Å; I17-I20 WeakPolarHBondContact O-CB 3.29Å; I17-I20 PolarHBondContact O-N 3.12Å; M18-I20 VanDerWaalsContact C-N 3.33Å; M18-I20 PolarHBondContact O-N 3.38Å; I20-S24 VanDerWaalsContact O-CB 3.25Å; I20-S24 WeakPolarHBondContact O-CB 3.33Å; I20-S24 PolarHBondContact O-N 3.21Å; I20-S24 PolarHBondContact O-OG 3.14Å; I20-F131 HydrophobicContact CD1-CE1 3.97Å; I20-F131 HydrophobicContact CD1-CZ 3.54Å; I20-F131 HydrophobicContact CG1-CE1 3.6Å; I20-F131 HydrophobicContact CG1-CZ 3.74Å; I20-I135 HydrophobicContact CG1-CD1 4.41Å; I20-I135 HydrophobicContact CG2-CD1 4.09Å
21	L	53.9	Low	55.6	Low	103 Å²	103	91.6 Å²	91.6	54%	0.539	46%	0.462	S	S	.	.	H	α-helix	trans	-67.2	-39.6	-179.2	-72.6	172.5	0	0	0	111.7	I17 M18 S24 C25	I17-L21 HydrophobicContact CG2-CD1 3.96Å; I17-L21 HydrophobicContact CG2-CG 4.36Å; I17-L21 WeakPolarHBondContact O-CB 3.38Å; I17-L21 WeakPolarHBondContact O-CG 3.49Å; I17-L21 PolarHBondContact O-N 2.92Å; M18-L21 PolarHBondContact O-N 3.27Å; L21-S24 PolarHBondContact O-N 3.44Å; L21-C25 VanDerWaalsContact O-CB 3.26Å; L21-C25 WeakPolarHBondContact O-CB 3.46Å; L21-C25 PolarHBondContact O-N 3.41Å; L21-C25 PolarHBondContact O-SG 2.97Å
22	D	62.3	Low	56.1	Low	106 Å²	106	93.5 Å²	93.5	57%	0.567	47%	0.472	S	S	*	.	H	α-helix	trans	-66.4	-45.1	178.9	-171.9	51.5	0	0	0	111.9	M18 I19 C25 T26	M18-D22 WeakPolarHBondContact O-CB 3.38Å; M18-D22 PolarHBondContact O-N 2.92Å; I19-D22 PolarHBondContact O-N 3.23Å; D22-C25 PolarHBondContact O-N 3.07Å; D22-T26 WeakPolarHBondContact O-CB 3.31Å; D22-T26 PolarHBondContact O-N 2.87Å; D22-T26 PolarHBondContact O-OG1 3.27Å
23	V	54.5	Low	56.7	Low	34 Å²	34	96.5 Å²	96.5	21%	0.206	48%	0.484	C	S	.	.	H	α-helix	trans	-66.9	-40.5	176.8	176.3	0	0	0	0	110.9	I19 T26 L27 L132	I19-V23 HydrophobicContact CG2-CG2 4.5Å; I19-V23 VanDerWaalsContact O-CG2 3.31Å; I19-V23 WeakPolarHBondContact O-CG2 3.45Å; I19-V23 PolarHBondContact O-N 2.91Å; V23-T26 PolarHBondContact O-N 3.41Å; V23-L27 HydrophobicContact CG1-CD1 3.88Å; V23-L27 HydrophobicContact CG1-CG 4.32Å; V23-L27 WeakPolarHBondContact O-CB 3.39Å; V23-L27 VanDerWaalsContact O-CG 3.26Å; V23-L27 WeakPolarHBondContact O-CG 3.45Å; V23-L27 PolarHBondContact O-N 3.48Å; V23-L132 HydrophobicContact CG1-CD2 3.89Å
24	S	52.9	Low	56.6	Low	23 Å²	23	94 Å²	94	16%	0.161	48%	0.475	C	S	.	.	H	α-helix	trans	-65.8	-40.8	177	-59.8	0	0	0	0	112.4	I20 L21 K28	I20-S24 VanDerWaalsContact O-CB 3.25Å; I20-S24 WeakPolarHBondContact O-CB 3.33Å; I20-S24 PolarHBondContact O-N 3.21Å; I20-S24 PolarHBondContact O-OG 3.14Å; L21-S24 PolarHBondContact O-N 3.44Å; S24-K28 WeakPolarHBondContact O-CB 3.47Å; S24-K28 WeakPolarHBondContact O-CG 3.2Å; S24-K28 PolarHBondContact O-N 2.92Å; S24-K28 VanDerWaalsContact O-N 3.12Å
25	C	53.8	Low	56.6	Low	59 Å²	59	93 Å²	93	40%	0.399	47%	0.47	S	S	.	.	H	α-helix	trans	-64.7	-42.8	174.2	-75.7	0	0	0	0	111.6	L21 D22 K28 R29	L21-C25 VanDerWaalsContact O-CB 3.26Å; L21-C25 WeakPolarHBondContact O-CB 3.46Å; L21-C25 PolarHBondContact O-N 3.41Å; L21-C25 PolarHBondContact O-SG 2.97Å; D22-C25 PolarHBondContact O-N 3.07Å; C25-K28 PolarHBondContact O-N 3.33Å; C25-R29 VanDerWaalsContact O-CG 3.31Å; C25-R29 WeakPolarHBondContact O-CG 3.5Å; C25-R29 PolarHBondContact O-N 3.11Å
26	T	56.8	Low	56.5	Low	69 Å²	69	93.8 Å²	93.8	42%	0.423	47%	0.474	S	S	.	.	H	α-helix	trans	-63.7	-48.1	178.9	-58.8	0	0	0	0	110.9	D22 V23 K28 R29 M30	D22-T26 WeakPolarHBondContact O-CB 3.31Å; D22-T26 PolarHBondContact O-N 2.87Å; D22-T26 PolarHBondContact O-OG1 3.27Å; V23-T26 PolarHBondContact O-N 3.41Å; T26-K28 VanDerWaalsContact C-N 3.33Å; T26-K28 PolarHBondContact O-N 2.96Å; T26-R29 PolarHBondContact O-N 3.45Å; T26-R29 VanDerWaalsContact O-N 3.07Å; T26-M30 WeakPolarHBondContact O-CG 3.17Å; T26-M30 PolarHBondContact O-N 2.85Å; T26-M30 VanDerWaalsContact O-N 3.14Å
27	L	54.2	Low	57.1	Low	67 Å²	67	95.8 Å²	95.8	35%	0.351	48%	0.48	S	S	.	.	H	α-helix	trans	-62.5	-37.3	178.8	-71.2	171.9	0	0	0	112.7	V23 R29 M30 L38 L132	V23-L27 HydrophobicContact CG1-CD1 3.88Å; V23-L27 HydrophobicContact CG1-CG 4.32Å; V23-L27 WeakPolarHBondContact O-CB 3.39Å; V23-L27 VanDerWaalsContact O-CG 3.26Å; V23-L27 WeakPolarHBondContact O-CG 3.45Å; V23-L27 PolarHBondContact O-N 3.48Å; L27-R29 VanDerWaalsContact C-N 3.27Å; L27-R29 PolarHBondContact O-N 2.67Å; L27-M30 HydrophobicContact CD2-SD 4.07Å; L27-M30 PolarHBondContact O-N 3.49Å; L27-L38 HydrophobicContact CD2-CD2 4.42Å; L27-L132 HydrophobicContact CD1-CD2 4.2Å
28	K	58.2	Low	57.1	Low	171 Å²	171	95 Å²	95	74%	0.743	48%	0.477	S	S	*	.	H	α-helix	trans	-68	-24.2	175.1	-77.3	-177.9	179.3	-177.5	0	113.6	S24 C25 T26	S24-K28 WeakPolarHBondContact O-CB 3.47Å; S24-K28 WeakPolarHBondContact O-CG 3.2Å; S24-K28 PolarHBondContact O-N 2.92Å; S24-K28 VanDerWaalsContact O-N 3.12Å; C25-K28 PolarHBondContact O-N 3.33Å; T26-K28 VanDerWaalsContact C-N 3.33Å; T26-K28 PolarHBondContact O-N 2.96Å
29	R	61.1	Low	57.2	Low	214 Å²	214	93 Å²	93	81%	0.808	47%	0.468	S	S	*	.	H	α-helix	trans	-93.3	-10.5	179.9	-69.7	175.3	-175.8	-174	2.2	113.3	C25 T26 L27 N31	C25-R29 VanDerWaalsContact O-CG 3.31Å; C25-R29 WeakPolarHBondContact O-CG 3.5Å; C25-R29 PolarHBondContact O-N 3.11Å; T26-R29 PolarHBondContact O-N 3.45Å; T26-R29 VanDerWaalsContact O-N 3.07Å; L27-R29 VanDerWaalsContact C-N 3.27Å; L27-R29 PolarHBondContact O-N 2.67Å; R29-N31 PolarHBondContact O-N 2.92Å
30	M	61.2	Low	57.6	Low	58 Å²	58	92.6 Å²	92.6	29%	0.286	46%	0.463	S	S	.	.			trans	-72.5	128.3	177.5	-74.5	177	80.2	0	0	110.3	T26 L27 S34 L38	T26-M30 WeakPolarHBondContact O-CG 3.17Å; T26-M30 PolarHBondContact O-N 2.85Å; T26-M30 VanDerWaalsContact O-N 3.14Å; L27-M30 HydrophobicContact CD2-SD 4.07Å; L27-M30 PolarHBondContact O-N 3.49Å; M30-S34 VanDerWaalsContact CE-C 3.49Å; M30-S34 VanDerWaalsContact CE-O 3.31Å; M30-S34 WeakPolarHBondContact CE-O 3.39Å; M30-L38 HydrophobicContact CE-CB 4.25Å; M30-L38 HydrophobicContact CE-CD2 4.27Å
31	N	68	Low	57.7	Low	87 Å²	87	94.5 Å²	94.5	47%	0.465	47%	0.474	S	S	.	.			trans	-67.1	159.6	167.1	67.5	13.7	0	0	0	110.2	R29 E33 S34 L35	R29-N31 PolarHBondContact O-N 2.92Å; N31-E33 PolarHBondContact O-N 3.01Å; N31-S34 PolarHBondContact O-N 3.35Å; N31-S34 WeakPolarHBondContact OD1-CB 3.46Å; N31-S34 PolarHBondContact OD1-N 3.44Å; N31-S34 PolarHBondContact OD1-OG 3.24Å; N31-L35 PolarHBondContact O-N 3.09Å; N31-L35 VanDerWaalsContact O-N 3.1Å
32	I	61.7	Low	57.5	Low	135 Å²	135	91.2 Å²	91.2	69%	0.692	46%	0.457	S	S	*	.	H	α-helix	trans	-55.4	-37.4	-177	-67	169.2	0	0	0	111.3	L35 L36	I32-L35 WeakPolarHBondContact O-CB 3.39Å; I32-L35 PolarHBondContact O-N 3.42Å; I32-L36 HydrophobicContact CG2-CD1 4.1Å; I32-L36 HydrophobicContact CG2-CG 4.38Å; I32-L36 WeakPolarHBondContact O-CG 3.48Å; I32-L36 PolarHBondContact O-N 3.24Å
33	E	63.4	Low	57.1	Low	150 Å²	150	92 Å²	92	70%	0.701	46%	0.455	S	S	*	.	H	α-helix	trans	-62	-44.2	177.2	-66.1	179.9	172	0	0	112.8	N31 L35 L36 K37	N31-E33 PolarHBondContact O-N 3.01Å; E33-L35 VanDerWaalsContact C-N 3.29Å; E33-L35 PolarHBondContact O-N 3.41Å; E33-L36 PolarHBondContact O-N 2.82Å; E33-K37 WeakPolarHBondContact O-CB 3.27Å; E33-K37 PolarHBondContact O-N 2.97Å
34	S	55.8	Low	57.4	Low	50 Å²	50	93.6 Å²	93.6	35%	0.35	46%	0.463	S	S	.	.	H	α-helix	trans	-65.9	-36.3	177.6	-60.5	0	0	0	0	111.2	M30 N31 L38	M30-S34 VanDerWaalsContact CE-C 3.49Å; M30-S34 VanDerWaalsContact CE-O 3.31Å; M30-S34 WeakPolarHBondContact CE-O 3.39Å; N31-S34 PolarHBondContact O-N 3.35Å; N31-S34 WeakPolarHBondContact OD1-CB 3.46Å; N31-S34 PolarHBondContact OD1-N 3.44Å; N31-S34 PolarHBondContact OD1-OG 3.24Å; S34-L38 WeakPolarHBondContact O-CB 3.25Å; S34-L38 PolarHBondContact O-N 2.82Å
35	L	51.1	Low	57.7	Low	76 Å²	76	95.9 Å²	95.9	40%	0.398	47%	0.473	S	S	.	.	H	α-helix	trans	-66.7	-43.9	175.4	-174.7	66.8	0	0	0	111.5	N31 I32 E33 L38 I39	N31-L35 PolarHBondContact O-N 3.09Å; N31-L35 VanDerWaalsContact O-N 3.1Å; I32-L35 WeakPolarHBondContact O-CB 3.39Å; I32-L35 PolarHBondContact O-N 3.42Å; E33-L35 VanDerWaalsContact C-N 3.29Å; E33-L35 PolarHBondContact O-N 3.41Å; L35-L38 WeakPolarHBondContact O-CB 3.39Å; L35-L38 PolarHBondContact O-N 2.97Å; L35-I39 HydrophobicContact CG-CD1 4.22Å; L35-I39 WeakPolarHBondContact O-CG1 3.34Å; L35-I39 PolarHBondContact O-N 2.88Å
36	L	53.8	Low	57.8	Low	107 Å²	107	98.7 Å²	98.7	56%	0.56	48%	0.482	S	S	*	.	H	α-helix	trans	-63.1	-41.2	175.5	-72.5	173.2	0	0	0	111.7	I32 E33 L38 I39 Q40	I32-L36 HydrophobicContact CG2-CD1 4.1Å; I32-L36 HydrophobicContact CG2-CG 4.38Å; I32-L36 WeakPolarHBondContact O-CG 3.48Å; I32-L36 PolarHBondContact O-N 3.24Å; E33-L36 PolarHBondContact O-N 2.82Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L36-L38 PolarHBondContact O-N 2.73Å; L36-I39 PolarHBondContact O-N 3.41Å; L36-Q40 WeakPolarHBondContact O-CB 3.49Å; L36-Q40 PolarHBondContact O-N 2.85Å
37	K	63.8	Low	58	Low	146 Å²	146	98.9 Å²	98.9	64%	0.635	48%	0.48	S	S	*	.	H	α-helix	trans	-62.6	-40.4	174.7	-171.1	175	-177	177.4	0	111.8	E33 Q40 N41	E33-K37 WeakPolarHBondContact O-CB 3.27Å; E33-K37 PolarHBondContact O-N 2.97Å; K37-Q40 PolarHBondContact O-N 3.46Å; K37-N41 WeakPolarHBondContact O-CB 3.31Å; K37-N41 PolarHBondContact O-N 3.41Å; K37-N41 PolarHBondContact O-OD1 2.91Å
38	L	54.7	Low	58.4	Low	57 Å²	57	100.3 Å²	100.3	30%	0.298	49%	0.488	S	S	.	.	H	α-helix	trans	-62.4	-47.3	173.9	-179.3	65.9	0	0	0	111.1	L27 M30 S34 L35 L36 Q40 N41 L42	L27-L38 HydrophobicContact CD2-CD2 4.42Å; M30-L38 HydrophobicContact CE-CB 4.25Å; M30-L38 HydrophobicContact CE-CD2 4.27Å; S34-L38 WeakPolarHBondContact O-CB 3.25Å; S34-L38 PolarHBondContact O-N 2.82Å; L35-L38 WeakPolarHBondContact O-CB 3.39Å; L35-L38 PolarHBondContact O-N 2.97Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L36-L38 PolarHBondContact O-N 2.73Å; L38-Q40 VanDerWaalsContact C-N 3.31Å; L38-Q40 PolarHBondContact O-N 2.92Å; L38-N41 PolarHBondContact O-N 3.36Å; L38-L42 HydrophobicContact CD1-CD1 4.47Å; L38-L42 HydrophobicContact CG-CD1 4.1Å; L38-L42 WeakPolarHBondContact O-CD1 2.89Å; L38-L42 WeakPolarHBondContact O-CG 2.97Å; L38-L42 PolarHBondContact O-N 3.28Å
39	I	52.6	Low	58.4	Low	94 Å²	94	93.2 Å²	93.2	48%	0.482	46%	0.459	S	S	.	.	H	α-helix	trans	-59.4	-42.7	177	-69.1	166.7	0	0	0	111.1	L35 L36 L42 K43	L35-I39 HydrophobicContact CG-CD1 4.22Å; L35-I39 WeakPolarHBondContact O-CG1 3.34Å; L35-I39 PolarHBondContact O-N 2.88Å; L36-I39 PolarHBondContact O-N 3.41Å; I39-L42 PolarHBondContact O-N 2.91Å; I39-K43 PolarHBondContact O-N 3.33Å
40	Q	62.9	Low	58.3	Low	90 Å²	90	88.5 Å²	88.5	42%	0.421	45%	0.446	S	S	.	.	H	α-helix	trans	-63.2	-47.6	177.3	-175	56.4	45.3	0	0	111.4	L36 K37 L38 L42 K43 D44	L36-Q40 WeakPolarHBondContact O-CB 3.49Å; L36-Q40 PolarHBondContact O-N 2.85Å; K37-Q40 PolarHBondContact O-N 3.46Å; L38-Q40 VanDerWaalsContact C-N 3.31Å; L38-Q40 PolarHBondContact O-N 2.92Å; Q40-L42 PolarHBondContact O-N 3.09Å; Q40-K43 WeakPolarHBondContact O-CB 3.45Å; Q40-K43 PolarHBondContact O-N 3.28Å; Q40-K43 VanDerWaalsContact O-N 3.09Å; Q40-D44 PolarHBondContact NE2-OD1 2.78Å; Q40-D44 PolarHBondContact NE2-OD2 3.17Å; Q40-D44 VanDerWaalsContact NE2-OD2 3.11Å; Q40-D44 VanDerWaalsContact O-CG 3.31Å; Q40-D44 PolarHBondContact O-N 3.29Å
41	N	54.5	Low	58.5	Low	89 Å²	89	89.2 Å²	89.2	48%	0.476	45%	0.454	S	S	.	.	H	α-helix	trans	-58.1	-36.1	176	-71.8	-11.6	0	0	0	112.2	K37 L38 L45	K37-N41 WeakPolarHBondContact O-CB 3.31Å; K37-N41 PolarHBondContact O-N 3.41Å; K37-N41 PolarHBondContact O-OD1 2.91Å; L38-N41 PolarHBondContact O-N 3.36Å; N41-L45 VanDerWaalsContact O-CB 3.31Å; N41-L45 WeakPolarHBondContact O-CB 3.26Å; N41-L45 PolarHBondContact O-N 3.42Å
42	L	50.9	Low	58.1	Low	34 Å²	34	86.4 Å²	86.4	18%	0.178	44%	0.439	C	S	.	.	H	α-helix	trans	-71.8	-39.3	176.8	-67.5	163.4	0	0	0	112.5	L38 I39 Q40 D44 L45 M46 Y129	L38-L42 HydrophobicContact CD1-CD1 4.47Å; L38-L42 HydrophobicContact CG-CD1 4.1Å; L38-L42 WeakPolarHBondContact O-CD1 2.89Å; L38-L42 WeakPolarHBondContact O-CG 2.97Å; L38-L42 PolarHBondContact O-N 3.28Å; I39-L42 PolarHBondContact O-N 2.91Å; Q40-L42 PolarHBondContact O-N 3.09Å; L42-D44 VanDerWaalsContact C-N 3.31Å; L42-L45 WeakPolarHBondContact O-CB 3.47Å; L42-L45 PolarHBondContact O-N 2.93Å; L42-M46 WeakPolarHBondContact O-CB 3.33Å; L42-M46 VanDerWaalsContact O-CG 3.31Å; L42-M46 WeakPolarHBondContact O-CG 3.26Å; L42-M46 PolarHBondContact O-N 2.82Å; L42-Y129 HydrophobicContact CD1-CE1 3.89Å; L42-Y129 HydrophobicContact CD1-CE2 4.41Å; L42-Y129 VanDerWaalsContact CD1-CZ 3.48Å; L42-Y129 WeakPolarHBondContact CD1-OH 3.35Å; L42-Y129 HydrophobicContact CD2-CE2 3.7Å; L42-Y129 WeakPolarHBondContact CD2-OH 3.4Å; L42-Y129 WeakPolarHBondContact CG-OH 3.2Å
43	K	52.5	Low	57.9	Low	122 Å²	122	85.9 Å²	85.9	53%	0.53	43%	0.429	S	S	.	.	H	α-helix	trans	-61.7	-43.3	174	-173.5	-179.4	178.3	-176.1	0	110.7	I39 Q40 M46 N47	I39-K43 PolarHBondContact O-N 3.33Å; Q40-K43 WeakPolarHBondContact O-CB 3.45Å; Q40-K43 PolarHBondContact O-N 3.28Å; Q40-K43 VanDerWaalsContact O-N 3.09Å; K43-M46 PolarHBondContact O-N 2.99Å; K43-N47 VanDerWaalsContact O-CG 3.28Å; K43-N47 PolarHBondContact O-N 3.24Å; K43-N47 PolarHBondContact O-ND2 3.26Å
44	D	62.1	Low	57.8	Low	67 Å²	67	84 Å²	84	36%	0.358	42%	0.42	S	S	.	.	H	α-helix	trans	-66.4	-40.3	177.2	-64.3	-26.2	0	0	0	111.1	Q40 L42 N47 N48	Q40-D44 PolarHBondContact NE2-OD1 2.78Å; Q40-D44 PolarHBondContact NE2-OD2 3.17Å; Q40-D44 VanDerWaalsContact NE2-OD2 3.11Å; Q40-D44 VanDerWaalsContact O-CG 3.31Å; Q40-D44 PolarHBondContact O-N 3.29Å; L42-D44 VanDerWaalsContact C-N 3.31Å; D44-N47 PolarHBondContact O-N 2.95Å; D44-N48 WeakPolarHBondContact O-CB 3.45Å; D44-N48 VanDerWaalsContact O-CG 3.22Å; D44-N48 PolarHBondContact O-N 2.92Å; D44-N48 PolarHBondContact O-ND2 3.45Å
45	L	58.7	Low	58.1	Low	71 Å²	71	84.6 Å²	84.6	37%	0.372	42%	0.419	S	S	.	.	H	α-helix	trans	-59.2	-47.7	171.6	-176.2	65.4	0	0	0	111.3	N41 L42 N47 N48 T49 Y125	N41-L45 VanDerWaalsContact O-CB 3.31Å; N41-L45 WeakPolarHBondContact O-CB 3.26Å; N41-L45 PolarHBondContact O-N 3.42Å; L42-L45 WeakPolarHBondContact O-CB 3.47Å; L42-L45 PolarHBondContact O-N 2.93Å; L45-N47 PolarHBondContact O-N 3.46Å; L45-N48 PolarHBondContact O-N 3.43Å; L45-T49 PolarHBondContact O-N 2.93Å; L45-T49 PolarHBondContact O-OG1 3.48Å; L45-Y125 HydrophobicContact CD2-CD2 4.11Å; L45-Y125 HydrophobicContact CD2-CE2 4.12Å
46	M	55.3	Low	58.6	Low	119 Å²	119	83.9 Å²	83.9	59%	0.586	41%	0.411	S	S	*	.	H	α-helix	trans	-61.6	-42.9	178.1	-74.6	-178.3	68.3	0	0	112.5	L42 K43 N48 T49 Q50	L42-M46 WeakPolarHBondContact O-CB 3.33Å; L42-M46 VanDerWaalsContact O-CG 3.31Å; L42-M46 WeakPolarHBondContact O-CG 3.26Å; L42-M46 PolarHBondContact O-N 2.82Å; K43-M46 PolarHBondContact O-N 2.99Å; M46-N48 VanDerWaalsContact C-N 3.35Å; M46-T49 CarbonylContact O-C 3.53Å; M46-T49 PolarHBondContact O-N 3.23Å; M46-Q50 PolarHBondContact O-N 3.34Å
47	N	62	Low	59	Low	72 Å²	72	83 Å²	83	39%	0.385	41%	0.406	S	S	.	.	H	α-helix	trans	-64.1	-40.7	176.6	-72.3	-21.6	0	0	0	111.7	K43 D44 L45 Q50 T51	K43-N47 VanDerWaalsContact O-CG 3.28Å; K43-N47 PolarHBondContact O-N 3.24Å; K43-N47 PolarHBondContact O-ND2 3.26Å; D44-N47 PolarHBondContact O-N 2.95Å; L45-N47 PolarHBondContact O-N 3.46Å; N47-Q50 PolarHBondContact O-N 2.77Å; N47-T51 PolarHBondContact O-N 3.12Å; N47-T51 PolarHBondContact O-OG1 3.32Å; N47-T51 VanDerWaalsContact O-OG1 3.06Å
48	N	62.1	Low	59.1	Low	98 Å²	98	81.3 Å²	81.3	52%	0.524	40%	0.402	S	S	.	.	H	α-helix	trans	-63.6	-43.9	173.7	-73.3	-23.4	0	0	0	110.7	D44 L45 M46 Q50 T51 L52	D44-N48 WeakPolarHBondContact O-CB 3.45Å; D44-N48 VanDerWaalsContact O-CG 3.22Å; D44-N48 PolarHBondContact O-N 2.92Å; D44-N48 PolarHBondContact O-ND2 3.45Å; L45-N48 PolarHBondContact O-N 3.43Å; M46-N48 VanDerWaalsContact C-N 3.35Å; N48-Q50 VanDerWaalsContact C-N 3.3Å; N48-Q50 PolarHBondContact O-N 2.79Å; N48-T51 PolarHBondContact O-N 3.14Å; N48-L52 WeakPolarHBondContact O-CB 3.44Å; N48-L52 WeakPolarHBondContact O-CD1 3.43Å; N48-L52 VanDerWaalsContact O-CG 3.24Å; N48-L52 WeakPolarHBondContact O-CG 3.21Å; N48-L52 PolarHBondContact O-N 2.88Å
49	T	58.9	Low	59.9	Low	22 Å²	22	78.7 Å²	78.7	14%	0.135	39%	0.388	C	S	.	.	H	α-helix	trans	-61.6	-37.6	174.4	-52.6	0	0	0	0	111.8	L45 M46 L52 Y53 F122	L45-T49 PolarHBondContact O-N 2.93Å; L45-T49 PolarHBondContact O-OG1 3.48Å; M46-T49 CarbonylContact O-C 3.53Å; M46-T49 PolarHBondContact O-N 3.23Å; T49-L52 CarbonylContact O-C 3.6Å; T49-L52 PolarHBondContact O-N 3.46Å; T49-Y53 VanDerWaalsContact O-CB 3.26Å; T49-Y53 WeakPolarHBondContact O-CB 3.47Å; T49-Y53 PolarHBondContact O-N 2.88Å; T49-F122 HydrophobicContact CG2-CB 4.03Å; T49-F122 HydrophobicContact CG2-CD2 3.68Å; T49-F122 HydrophobicContact CG2-CE2 4.24Å; T49-F122 HydrophobicContact CG2-CG 3.85Å
50	Q	58.6	Low	60.7	Low	114 Å²	114	76 Å²	76	53%	0.533	38%	0.378	S	S	.	.	H	α-helix	trans	-64.6	-42.7	175.4	-176.4	177.2	-3.6	0	0	111.8	M46 N47 N48 L52 Y53 Q54	M46-Q50 PolarHBondContact O-N 3.34Å; N47-Q50 PolarHBondContact O-N 2.77Å; N48-Q50 VanDerWaalsContact C-N 3.3Å; N48-Q50 PolarHBondContact O-N 2.79Å; Q50-L52 VanDerWaalsContact C-N 3.34Å; Q50-Y53 WeakPolarHBondContact O-CB 3.37Å; Q50-Y53 PolarHBondContact O-N 3.49Å; Q50-Q54 WeakPolarHBondContact O-CG 3.07Å; Q50-Q54 PolarHBondContact O-N 3.37Å
51	T	65	Low	61.2	Low	73 Å²	73	74.7 Å²	74.7	45%	0.448	38%	0.379	S	S	.	.	H	α-helix	trans	-62.8	-43.9	175	-55.4	0	0	0	0	110.7	N47 N48 Y53 Q54 I55	N47-T51 PolarHBondContact O-N 3.12Å; N47-T51 PolarHBondContact O-OG1 3.32Å; N47-T51 VanDerWaalsContact O-OG1 3.06Å; N48-T51 PolarHBondContact O-N 3.14Å; T51-Y53 VanDerWaalsContact C-N 3.29Å; T51-Y53 PolarHBondContact O-N 3.23Å; T51-Q54 WeakPolarHBondContact O-CB 3.22Å; T51-Q54 PolarHBondContact O-N 2.94Å; T51-I55 HydrophobicContact CG2-CD1 4.47Å; T51-I55 WeakPolarHBondContact O-CG1 3.49Å; T51-I55 PolarHBondContact O-N 3.06Å
52	L	59.2	Low	62.2	Low	29 Å²	29	70.6 Å²	70.6	15%	0.152	36%	0.357	C	S	.	.	H	α-helix	trans	-63.4	-36.3	175.1	-70	160.4	0	0	0	111.9	N48 T49 Q50 I55 Y56 K114 D118	N48-L52 WeakPolarHBondContact O-CB 3.44Å; N48-L52 WeakPolarHBondContact O-CD1 3.43Å; N48-L52 VanDerWaalsContact O-CG 3.24Å; N48-L52 WeakPolarHBondContact O-CG 3.21Å; N48-L52 PolarHBondContact O-N 2.88Å; T49-L52 CarbonylContact O-C 3.6Å; T49-L52 PolarHBondContact O-N 3.46Å; Q50-L52 VanDerWaalsContact C-N 3.34Å; L52-I55 PolarHBondContact O-N 2.99Å; L52-Y56 WeakPolarHBondContact O-CB 3.48Å; L52-Y56 PolarHBondContact O-N 3.23Å; L52-K114 HydrophobicContact CD2-CD 4.21Å; L52-D118 HydrophobicContact CD1-CB 4.08Å; L52-D118 WeakPolarHBondContact CD1-OD2 3.31Å
53	Y	58.1	Low	63.4	Low	123 Å²	123	70.4 Å²	70.4	48%	0.482	36%	0.356	S	S	.	.	H	α-helix	trans	-67.6	-35.3	174.1	-175.4	-103.7	0	0	0	112	T49 Q50 T51 Y56 L57	T49-Y53 VanDerWaalsContact O-CB 3.26Å; T49-Y53 WeakPolarHBondContact O-CB 3.47Å; T49-Y53 PolarHBondContact O-N 2.88Å; Q50-Y53 WeakPolarHBondContact O-CB 3.37Å; Q50-Y53 PolarHBondContact O-N 3.49Å; T51-Y53 VanDerWaalsContact C-N 3.29Å; T51-Y53 PolarHBondContact O-N 3.23Å; Y53-Y56 HydrophobicContact CD2-CD1 4.4Å; Y53-Y56 HydrophobicContact CE2-CD1 4.35Å; Y53-Y56 CarbonylContact O-C 3.6Å; Y53-Y56 WeakPolarHBondContact O-CB 3.19Å; Y53-Y56 PolarHBondContact O-N 3.04Å; Y53-L57 HydrophobicContact CD1-CD1 3.95Å; Y53-L57 HydrophobicContact CD1-CG 4.23Å; Y53-L57 HydrophobicContact CE1-CD1 3.56Å; Y53-L57 HydrophobicContact CE1-CD2 4.25Å; Y53-L57 HydrophobicContact CE1-CG 3.89Å; Y53-L57 WeakPolarHBondContact O-CG 3.42Å; Y53-L57 PolarHBondContact O-N 3.45Å
54	Q	62.1	Low	64.6	Low	111 Å²	111	71 Å²	71	52%	0.519	36%	0.358	S	S	.	.	H	α-helix	trans	-67.3	-42.4	172	-72.1	175.7	-13.9	0	0	111.9	Q50 T51 Y56 L57 M58	Q50-Q54 WeakPolarHBondContact O-CG 3.07Å; Q50-Q54 PolarHBondContact O-N 3.37Å; T51-Q54 WeakPolarHBondContact O-CB 3.22Å; T51-Q54 PolarHBondContact O-N 2.94Å; Q54-Y56 VanDerWaalsContact C-N 3.25Å; Q54-Y56 PolarHBondContact O-N 3.48Å; Q54-L57 PolarHBondContact O-N 2.92Å; Q54-M58 PolarHBondContact O-N 3.26Å
55	I	60.6	Low	65.4	Low	63 Å²	63	69.7 Å²	69.7	32%	0.323	35%	0.353	S	S	.	.	H	α-helix	trans	-59.2	-42.7	171.8	-65.9	167.3	0	0	0	109.6	T51 L52 M58 E59	T51-I55 HydrophobicContact CG2-CD1 4.47Å; T51-I55 WeakPolarHBondContact O-CG1 3.49Å; T51-I55 PolarHBondContact O-N 3.06Å; L52-I55 PolarHBondContact O-N 2.99Å; I55-M58 PolarHBondContact O-N 3.26Å; I55-E59 HydrophobicContact CG2-CG 4.27Å; I55-E59 WeakPolarHBondContact O-CB 3.15Å; I55-E59 WeakPolarHBondContact O-CG 3.28Å; I55-E59 PolarHBondContact O-N 3.4Å
56	Y	61.3	Low	66.4	Low	61 Å²	61	66.3 Å²	66.3	24%	0.239	34%	0.336	C	S	.	.	H	α-helix	trans	-60.5	-46.6	174.3	179.9	-109.1	0	0	0	112.7	L52 Y53 Q54 M58 E59 S60 V115	L52-Y56 WeakPolarHBondContact O-CB 3.48Å; L52-Y56 PolarHBondContact O-N 3.23Å; Y53-Y56 HydrophobicContact CD2-CD1 4.4Å; Y53-Y56 HydrophobicContact CE2-CD1 4.35Å; Y53-Y56 CarbonylContact O-C 3.6Å; Y53-Y56 WeakPolarHBondContact O-CB 3.19Å; Y53-Y56 PolarHBondContact O-N 3.04Å; Q54-Y56 VanDerWaalsContact C-N 3.25Å; Q54-Y56 PolarHBondContact O-N 3.48Å; Y56-M58 VanDerWaalsContact C-N 3.28Å; Y56-M58 PolarHBondContact O-N 2.83Å; Y56-E59 CarbonylContact O-C 3.6Å; Y56-E59 PolarHBondContact O-N 3.48Å; Y56-S60 WeakPolarHBondContact O-CA 3.47Å; Y56-S60 WeakPolarHBondContact O-CB 3.43Å; Y56-S60 PolarHBondContact O-N 3.28Å; Y56-V115 HydrophobicContact CD2-CB 3.92Å; Y56-V115 HydrophobicContact CD2-CG1 3.29Å; Y56-V115 HydrophobicContact CD2-CG2 4.2Å; Y56-V115 HydrophobicContact CE2-CG1 4.02Å; Y56-V115 HydrophobicContact CG-CB 4.45Å; Y56-V115 HydrophobicContact CG-CG1 3.61Å; Y56-V115 HydrophobicContact CG-CG2 4.43Å
57	L	63	Low	67.3	Low	87 Å²	87	63.4 Å²	63.4	46%	0.455	32%	0.322	S	S	.	.	H	α-helix	trans	-61.2	-41.2	178.5	-74.3	176.3	0	0	0	111.1	Y53 Q54 S60 S61	Y53-L57 HydrophobicContact CD1-CD1 3.95Å; Y53-L57 HydrophobicContact CD1-CG 4.23Å; Y53-L57 HydrophobicContact CE1-CD1 3.56Å; Y53-L57 HydrophobicContact CE1-CD2 4.25Å; Y53-L57 HydrophobicContact CE1-CG 3.89Å; Y53-L57 WeakPolarHBondContact O-CG 3.42Å; Y53-L57 PolarHBondContact O-N 3.45Å; Q54-L57 PolarHBondContact O-N 2.92Å; L57-S60 PolarHBondContact O-N 2.83Å; L57-S61 PolarHBondContact O-N 3.41Å
58	M	66.9	Low	68.2	Low	111 Å²	111	63.9 Å²	63.9	55%	0.547	32%	0.324	S	S	.	.	H	α-helix	trans	-63.4	-50.3	176.3	-170.6	178.2	71.1	0	0	111.1	Q54 I55 Y56 S60 S61	Q54-M58 PolarHBondContact O-N 3.26Å; I55-M58 PolarHBondContact O-N 3.26Å; Y56-M58 VanDerWaalsContact C-N 3.28Å; Y56-M58 PolarHBondContact O-N 2.83Å; M58-S60 VanDerWaalsContact C-N 3.3Å; M58-S60 PolarHBondContact O-N 2.93Å; M58-S61 WeakPolarHBondContact O-CB 3.41Å; M58-S61 PolarHBondContact O-N 3.28Å; M58-S61 PolarHBondContact O-OG 3.44Å
59	E	70.1	Confident	69	Low	2 Å²	2	60.1 Å²	60.1	1%	0.009	30%	0.304	C	S	.	.	H	α-helix	trans	-75	-19.4	179.3	-61.7	-61.3	176	0	0	112.8	I55 Y56 S61 T62 L63 R107 F108 I112	I55-E59 HydrophobicContact CG2-CG 4.27Å; I55-E59 WeakPolarHBondContact O-CB 3.15Å; I55-E59 WeakPolarHBondContact O-CG 3.28Å; I55-E59 PolarHBondContact O-N 3.4Å; Y56-E59 CarbonylContact O-C 3.6Å; Y56-E59 PolarHBondContact O-N 3.48Å; E59-S61 VanDerWaalsContact C-N 3.3Å; E59-T62 WeakPolarHBondContact O-CB 3.31Å; E59-T62 PolarHBondContact O-N 2.93Å; E59-T62 PolarHBondContact OE2-OG1 2.94Å; E59-L63 VanDerWaalsContact O-CB 3.3Å; E59-L63 WeakPolarHBondContact O-CB 3.41Å; E59-L63 PolarHBondContact O-N 3.31Å; E59-R107 IonicContact OE1-CZ 2.83Å; E59-R107 IonicContact OE1-NH1 3.52Å; E59-R107 PolarHBondContact OE1-NH1 2.92Å; E59-R107 IonicContact OE1-NH2 3.42Å; E59-R107 PolarHBondContact OE1-NH2 2.9Å; E59-R107 VanDerWaalsContact OE1-NH2 3.12Å; E59-F108 HydrophobicContact CB-CD2 4.25Å; E59-F108 HydrophobicContact CB-CE2 4.21Å; E59-F108 WeakPolarHBondContact OE2-CD2 3.37Å; E59-I112 HydrophobicContact CB-CD1 4.03Å
60	S	69.6	Low	69.8	Low	37 Å²	37	59.4 Å²	59.4	26%	0.259	30%	0.3	S	S	.	.	H	α-helix	trans	-67.6	-34.1	172.5	-179.2	0	0	0	0	110.2	Y56 L57 M58 L63 K64	Y56-S60 WeakPolarHBondContact O-CA 3.47Å; Y56-S60 WeakPolarHBondContact O-CB 3.43Å; Y56-S60 PolarHBondContact O-N 3.28Å; L57-S60 PolarHBondContact O-N 2.83Å; M58-S60 VanDerWaalsContact C-N 3.3Å; M58-S60 PolarHBondContact O-N 2.93Å; S60-L63 PolarHBondContact O-N 3.28Å; S60-K64 WeakPolarHBondContact O-CB 3.31Å; S60-K64 PolarHBondContact O-N 3.29Å
61	S	74.5	Confident	70.5	Confident	63 Å²	63	60.1 Å²	60.1	44%	0.441	30%	0.303	S	S	.	.	H	α-helix	trans	-65.9	-42	171.6	78.3	0	0	0	0	112	L57 M58 E59 K64 T65	L57-S61 PolarHBondContact O-N 3.41Å; M58-S61 WeakPolarHBondContact O-CB 3.41Å; M58-S61 PolarHBondContact O-N 3.28Å; M58-S61 PolarHBondContact O-OG 3.44Å; E59-S61 VanDerWaalsContact C-N 3.3Å; S61-K64 PolarHBondContact O-N 3.25Å; S61-T65 PolarHBondContact O-N 3.01Å; S61-T65 PolarHBondContact O-OG1 3.46Å
62	T	75.2	Confident	70.9	Confident	4 Å²	4	59.9 Å²	59.9	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-51.4	171.6	-60.1	0	0	0	0	110.2	E59 K64 T65 C66 Y91 F92 F108	E59-T62 WeakPolarHBondContact O-CB 3.31Å; E59-T62 PolarHBondContact O-N 2.93Å; E59-T62 PolarHBondContact OE2-OG1 2.94Å; T62-K64 PolarHBondContact O-N 3.46Å; T62-T65 PolarHBondContact O-N 2.97Å; T62-C66 PolarHBondContact O-N 3.25Å; T62-C66 PolarHBondContact O-SG 3.49Å; T62-Y91 HydrophobicContact CG2-CD1 3.68Å; T62-Y91 HydrophobicContact CG2-CE1 3.33Å; T62-Y91 HydrophobicContact CG2-CG 4.47Å; T62-Y91 PolarHBondContact OG1-OH 3.47Å; T62-F92 HydrophobicContact CG2-CE1 4.2Å; T62-F92 HydrophobicContact CG2-CZ 4.01Å; T62-F108 HydrophobicContact CG2-CD2 3.74Å; T62-F108 HydrophobicContact CG2-CE2 3.57Å; T62-F108 HydrophobicContact CG2-CG 4.42Å; T62-F108 HydrophobicContact CG2-CZ 4.12Å
63	L	75.2	Confident	71.2	Confident	29 Å²	29	62 Å²	62	15%	0.152	32%	0.319	C	S	.	.	H	α-helix	trans	-56.6	-48.9	177.8	174.6	61	0	0	0	111.5	E59 S60 T65 C66 L67 Y83 F108 I112	E59-L63 VanDerWaalsContact O-CB 3.3Å; E59-L63 WeakPolarHBondContact O-CB 3.41Å; E59-L63 PolarHBondContact O-N 3.31Å; S60-L63 PolarHBondContact O-N 3.28Å; L63-T65 VanDerWaalsContact C-N 3.29Å; L63-T65 PolarHBondContact O-N 2.84Å; L63-C66 CarbonylContact O-C 3.32Å; L63-C66 WeakPolarHBondContact O-CB 3.42Å; L63-C66 PolarHBondContact O-N 2.83Å; L63-C66 VanDerWaalsContact O-N 3.15Å; L63-L67 HydrophobicContact CD1-CD1 4.12Å; L63-L67 HydrophobicContact CD1-CG 4.17Å; L63-L67 HydrophobicContact CG-CD1 4.01Å; L63-L67 HydrophobicContact CG-CG 4.47Å; L63-L67 WeakPolarHBondContact O-CB 3.38Å; L63-L67 WeakPolarHBondContact O-CG 3.23Å; L63-L67 PolarHBondContact O-N 3.28Å; L63-Y83 HydrophobicContact CD1-CD1 3.12Å; L63-Y83 HydrophobicContact CD1-CE1 3.63Å; L63-Y83 HydrophobicContact CD1-CG 3.88Å; L63-F108 HydrophobicContact CB-CE2 4.24Å; L63-F108 HydrophobicContact CB-CZ 3.93Å; L63-F108 HydrophobicContact CD1-CZ 4.24Å; L63-I112 HydrophobicContact CD2-CD1 4.37Å
64	K	77.2	Confident	71.3	Confident	134 Å²	134	58.7 Å²	58.7	58%	0.583	31%	0.309	S	S	*	.	H	α-helix	trans	-59.8	-41.1	178.3	-176.2	176.4	-177.7	178.4	0	111.1	S60 S61 T62 L67 N68	S60-K64 WeakPolarHBondContact O-CB 3.31Å; S60-K64 PolarHBondContact O-N 3.29Å; S61-K64 PolarHBondContact O-N 3.25Å; T62-K64 PolarHBondContact O-N 3.46Å; K64-L67 PolarHBondContact O-N 3.48Å; K64-N68 WeakPolarHBondContact O-CB 3.47Å; K64-N68 PolarHBondContact O-N 3.23Å; K64-N68 PolarHBondContact O-OD1 3.18Å
65	T	80.8	Confident	71	Confident	41 Å²	41	61.5 Å²	61.5	25%	0.252	32%	0.322	S	S	.	.	H	α-helix	trans	-68.4	-39.7	177.1	-50.1	0	0	0	0	111.2	S61 T62 L63 N68 I69 Y91 Y95	S61-T65 PolarHBondContact O-N 3.01Å; S61-T65 PolarHBondContact O-OG1 3.46Å; T62-T65 PolarHBondContact O-N 2.97Å; L63-T65 VanDerWaalsContact C-N 3.29Å; L63-T65 PolarHBondContact O-N 2.84Å; T65-N68 PolarHBondContact O-N 3.43Å; T65-I69 HydrophobicContact CG2-CD1 4.23Å; T65-I69 WeakPolarHBondContact O-CB 3.38Å; T65-I69 VanDerWaalsContact O-CG1 3.23Å; T65-I69 WeakPolarHBondContact O-CG1 3.45Å; T65-I69 PolarHBondContact O-N 3.25Å; T65-Y91 HydrophobicContact CG2-CD2 3.53Å; T65-Y91 HydrophobicContact CG2-CE2 3.87Å; T65-Y95 HydrophobicContact CG2-CE2 4.23Å
66	C	79.6	Confident	70.7	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-62.7	-44.4	173.8	-61	0	0	0	0	111.1	T62 L63 I69 D70 A87 C88	T62-C66 PolarHBondContact O-N 3.25Å; T62-C66 PolarHBondContact O-SG 3.49Å; L63-C66 CarbonylContact O-C 3.32Å; L63-C66 WeakPolarHBondContact O-CB 3.42Å; L63-C66 PolarHBondContact O-N 2.83Å; L63-C66 VanDerWaalsContact O-N 3.15Å; C66-I69 PolarHBondContact O-N 2.9Å; C66-D70 PolarHBondContact O-N 3.32Å; C66-A87 HydrophobicContact CB-CB 4.22Å; C66-A87 WeakPolarHBondContact O-CB 3.45Å; C66-C88 PolarHBondContact SG-SG 2.92Å
67	L	74.3	Confident	70.2	Confident	57 Å²	57	69.4 Å²	69.4	30%	0.298	36%	0.363	S	S	.	.	H	α-helix	trans	-60.9	-45.4	174.8	-71.4	170.3	0	0	0	111.7	L63 K64 I69 D70 E71	L63-L67 HydrophobicContact CD1-CD1 4.12Å; L63-L67 HydrophobicContact CD1-CG 4.17Å; L63-L67 HydrophobicContact CG-CD1 4.01Å; L63-L67 HydrophobicContact CG-CG 4.47Å; L63-L67 WeakPolarHBondContact O-CB 3.38Å; L63-L67 WeakPolarHBondContact O-CG 3.23Å; L63-L67 PolarHBondContact O-N 3.28Å; K64-L67 PolarHBondContact O-N 3.48Å; L67-I69 VanDerWaalsContact C-N 3.33Å; L67-I69 PolarHBondContact O-N 2.84Å; L67-D70 CarbonylContact O-C 3.56Å; L67-D70 WeakPolarHBondContact O-CB 3.49Å; L67-D70 PolarHBondContact O-N 2.96Å; L67-D70 VanDerWaalsContact O-N 3.12Å; L67-E71 WeakPolarHBondContact O-CG 3.3Å; L67-E71 PolarHBondContact O-N 3.24Å
68	N	79.5	Confident	69.1	Low	82 Å²	82	74.4 Å²	74.4	44%	0.439	38%	0.384	S	S	.	.	H	α-helix	trans	-62.7	-39	176.8	-69.6	-8	0	0	0	112.2	K64 T65 D70 S72	K64-N68 WeakPolarHBondContact O-CB 3.47Å; K64-N68 PolarHBondContact O-N 3.23Å; K64-N68 PolarHBondContact O-OD1 3.18Å; T65-N68 PolarHBondContact O-N 3.43Å; N68-D70 VanDerWaalsContact C-N 3.33Å; N68-S72 WeakPolarHBondContact O-CB 3.39Å; N68-S72 PolarHBondContact O-N 2.77Å; N68-S72 PolarHBondContact O-OG 2.88Å
69	I	79.8	Confident	68	Low	20 Å²	20	77.9 Å²	77.9	10%	0.103	40%	0.401	C	S	.	.	H	α-helix	trans	-61.8	-46.4	173.4	-72.2	165.7	0	0	0	109.3	T65 C66 L67 S72 V73 A87 K90	T65-I69 HydrophobicContact CG2-CD1 4.23Å; T65-I69 WeakPolarHBondContact O-CB 3.38Å; T65-I69 VanDerWaalsContact O-CG1 3.23Å; T65-I69 WeakPolarHBondContact O-CG1 3.45Å; T65-I69 PolarHBondContact O-N 3.25Å; C66-I69 PolarHBondContact O-N 2.9Å; L67-I69 VanDerWaalsContact C-N 3.33Å; L67-I69 PolarHBondContact O-N 2.84Å; I69-S72 PolarHBondContact O-N 2.97Å; I69-S72 PolarHBondContact O-OG 3.32Å; I69-V73 VanDerWaalsContact O-CG2 3.24Å; I69-V73 WeakPolarHBondContact O-CG2 3.39Å; I69-V73 PolarHBondContact O-N 2.82Å; I69-V73 VanDerWaalsContact O-N 3.08Å; I69-A87 HydrophobicContact CB-CB 3.94Å; I69-A87 HydrophobicContact CG2-CB 3.69Å; I69-K90 HydrophobicContact CD1-CB 4.37Å; I69-K90 HydrophobicContact CD1-CG 4.35Å; I69-K90 HydrophobicContact CG2-CB 4.31Å; I69-K90 HydrophobicContact CG2-CD 3.78Å; I69-K90 HydrophobicContact CG2-CG 4.45Å
70	D	76.1	Confident	66.8	Low	7 Å²	7	81.2 Å²	81.2	4%	0.037	43%	0.425	C	S	.	.	H	α-helix	trans	-63	-46.3	178.2	-108.7	15.7	0	0	0	112.4	C66 L67 N68 S72 V73 N74 S84 A87	C66-D70 PolarHBondContact O-N 3.32Å; L67-D70 CarbonylContact O-C 3.56Å; L67-D70 WeakPolarHBondContact O-CB 3.49Å; L67-D70 PolarHBondContact O-N 2.96Å; L67-D70 VanDerWaalsContact O-N 3.12Å; N68-D70 VanDerWaalsContact C-N 3.33Å; D70-S72 VanDerWaalsContact C-N 3.3Å; D70-S72 PolarHBondContact O-N 3.36Å; D70-V73 CarbonylContact O-C 3.55Å; D70-V73 PolarHBondContact O-N 3.27Å; D70-N74 WeakPolarHBondContact O-CA 3.25Å; D70-N74 WeakPolarHBondContact O-CB 3.36Å; D70-N74 PolarHBondContact O-N 2.98Å; D70-S84 VanDerWaalsContact CG-OG 3.31Å; D70-S84 VanDerWaalsContact OD1-CB 3.31Å; D70-S84 WeakPolarHBondContact OD1-CB 3.33Å; D70-S84 PolarHBondContact OD1-OG 2.84Å; D70-S84 WeakPolarHBondContact OD2-CA 3.39Å; D70-S84 WeakPolarHBondContact OD2-CB 3.38Å; D70-S84 PolarHBondContact OD2-N 2.76Å; D70-S84 PolarHBondContact OD2-OG 3.43Å; D70-A87 HydrophobicContact CB-CB 4.16Å; D70-A87 WeakPolarHBondContact OD1-CB 3.24Å
71	E	71.5	Confident	66	Low	128 Å²	128	86.8 Å²	86.8	60%	0.598	46%	0.457	S	S	*	.	H	α-helix	trans	-57.7	-44.3	174.8	-75.8	179.5	-178.3	0	0	110.8	L67 V73 N74 Q75	L67-E71 WeakPolarHBondContact O-CG 3.3Å; L67-E71 PolarHBondContact O-N 3.24Å; E71-V73 PolarHBondContact O-N 3.35Å; E71-N74 PolarHBondContact O-N 3.44Å; E71-Q75 WeakPolarHBondContact O-CG 3.45Å; E71-Q75 PolarHBondContact O-N 3.25Å
72	S	73.5	Confident	65.3	Low	69 Å²	69	85.2 Å²	85.2	48%	0.483	45%	0.451	S	S	.	.	H	α-helix	trans	-63.2	-27.1	177.6	75.5	0	0	0	0	113.4	N68 I69 D70	N68-S72 WeakPolarHBondContact O-CB 3.39Å; N68-S72 PolarHBondContact O-N 2.77Å; N68-S72 PolarHBondContact O-OG 2.88Å; I69-S72 PolarHBondContact O-N 2.97Å; I69-S72 PolarHBondContact O-OG 3.32Å; D70-S72 VanDerWaalsContact C-N 3.3Å; D70-S72 PolarHBondContact O-N 3.36Å
73	V	65.7	Low	65	Low	74 Å²	74	87.7 Å²	87.7	45%	0.448	46%	0.461	S	S	.	.	H	α-helix	trans	-90.3	-35.3	178.9	174.3	0	0	0	0	111.3	I69 D70 E71	I69-V73 VanDerWaalsContact O-CG2 3.24Å; I69-V73 WeakPolarHBondContact O-CG2 3.39Å; I69-V73 PolarHBondContact O-N 2.82Å; I69-V73 VanDerWaalsContact O-N 3.08Å; D70-V73 CarbonylContact O-C 3.55Å; D70-V73 PolarHBondContact O-N 3.27Å; E71-V73 PolarHBondContact O-N 3.35Å
74	N	60	Low	65	Low	52 Å²	52	88 Å²	88	28%	0.278	47%	0.465	S	S	.	.	H	α-helix	trans	-102.2	17.1	-172.1	-64.9	-21.2	0	0	0	113.3	D70 E71 K76 T77	D70-N74 WeakPolarHBondContact O-CA 3.25Å; D70-N74 WeakPolarHBondContact O-CB 3.36Å; D70-N74 PolarHBondContact O-N 2.98Å; E71-N74 PolarHBondContact O-N 3.44Å; N74-K76 PolarHBondContact O-N 3.47Å; N74-T77 PolarHBondContact O-N 3.44Å
75	Q	56.2	Low	65.1	Low	171 Å²	171	86.8 Å²	86.8	80%	0.799	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	6	165.8	-92.6	177.7	10.6	0	0	114.5	E71	E71-Q75 WeakPolarHBondContact O-CG 3.45Å; E71-Q75 PolarHBondContact O-N 3.25Å
76	K	54.5	Low	65.2	Low	200 Å²	200	94.1 Å²	94.1	87%	0.87	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	4	174.2	-66.8	-170.8	176.4	-176.8	0	115.7	N74	N74-K76 PolarHBondContact O-N 3.47Å
77	T	51.9	Low	65.3	Low	90 Å²	90	94.2 Å²	94.2	55%	0.552	49%	0.485	S	S	*	.			trans	-140.3	102.9	-179.5	37.7	0	0	0	0	111	N74	N74-T77 PolarHBondContact O-N 3.44Å
78	E	40	Very low	65.6	Low	191 Å²	191	91.5 Å²	91.5	89%	0.893	47%	0.471	S	S	*	.			trans	-59.5	139.9	170.1	-67.7	174.7	157.1	0	0	110.5
79	M	42.3	Very low	65.9	Low	185 Å²	185	91.7 Å²	91.7	91%	0.911	47%	0.469	S	S	*	.			trans	80.6	81.6	-179.7	-53.1	-177.7	84.8	0	0	116.5
80	S	46.4	Very low	66.2	Low	71 Å²	71	95.8 Å²	95.8	50%	0.497	49%	0.486	S	S	.	.			trans	-113	124.2	147	80.5	0	0	0	0	109.8	G82	S80-G82 PolarHBondContact O-N 3.01Å; S80-G82 VanDerWaalsContact O-N 3.11Å; S80-G82 PolarHBondContact OG-O 3.44Å
81	T	51.4	Low	66.7	Low	155 Å²	155	96.8 Å²	96.8	95%	0.951	49%	0.489	S	S	*	.	S	Bend	trans	-77.4	19.6	178.8	45.7	0	0	0	0	112.8
82	G	61.4	Low	67.4	Low	30 Å²	30	91 Å²	91	31%	0.309	46%	0.462	S	S	.	.	S	Bend	trans	159.6	-168.5	-173.4	0	0	0	0	0	112.8	S80	S80-G82 PolarHBondContact O-N 3.01Å; S80-G82 VanDerWaalsContact O-N 3.11Å; S80-G82 PolarHBondContact OG-O 3.44Å
83	Y	67	Low	67.9	Low	56 Å²	56	91.3 Å²	91.3	22%	0.22	46%	0.462	C	S	.	.			trans	-78.8	148.1	174.4	62.2	-86.5	0	0	0	111.1	L63 C88 Y105 F108	L63-Y83 HydrophobicContact CD1-CD1 3.12Å; L63-Y83 HydrophobicContact CD1-CE1 3.63Å; L63-Y83 HydrophobicContact CD1-CG 3.88Å; Y83-C88 WeakPolarHBondContact CD2-SG 3.06Å; Y83-Y105 HydrophobicContact CE2-CE2 4.15Å; Y83-F108 HydrophobicContact CD2-CE1 4.25Å; Y83-F108 HydrophobicContact CE1-CE1 4.21Å; Y83-F108 HydrophobicContact CE2-CD1 4.41Å; Y83-F108 AromaticContact CE2-CE1 3.69Å; Y83-F108 HydrophobicContact CE2-CE1 3.69Å; Y83-F108 AromaticContact CZ-CE1 3.65Å
84	S	76.6	Confident	68.8	Low	35 Å²	35	91.5 Å²	91.5	25%	0.245	46%	0.463	C	S	.	.			trans	-90.2	149.5	174.2	82	0	0	0	0	111.5	D70 R86 A87 C88	D70-S84 VanDerWaalsContact CG-OG 3.31Å; D70-S84 VanDerWaalsContact OD1-CB 3.31Å; D70-S84 WeakPolarHBondContact OD1-CB 3.33Å; D70-S84 PolarHBondContact OD1-OG 2.84Å; D70-S84 WeakPolarHBondContact OD2-CA 3.39Å; D70-S84 WeakPolarHBondContact OD2-CB 3.38Å; D70-S84 PolarHBondContact OD2-N 2.76Å; D70-S84 PolarHBondContact OD2-OG 3.43Å; S84-R86 PolarHBondContact O-N 3.29Å; S84-R86 VanDerWaalsContact O-N 3.16Å; S84-R86 PolarHBondContact OG-N 3.34Å; S84-A87 PolarHBondContact O-N 2.64Å; S84-A87 VanDerWaalsContact O-N 3.09Å; S84-A87 PolarHBondContact OG-N 3.29Å; S84-A87 VanDerWaalsContact OG-N 3.07Å; S84-C88 PolarHBondContact O-N 3.33Å; S84-C88 VanDerWaalsContact O-N 3.15Å
85	E	79.6	Confident	69.9	Low	108 Å²	108	96 Å²	96	51%	0.505	48%	0.477	S	S	.	.	H	α-helix	trans	-55.1	-31.9	171.5	-172.7	173.1	173.7	0	0	111.5	C88 H89 F101 Y105	E85-C88 PolarHBondContact O-N 3.4Å; E85-H89 WeakPolarHBondContact O-CB 3.26Å; E85-H89 PolarHBondContact O-N 3.26Å; E85-F101 HydrophobicContact CG-CE1 4.17Å; E85-F101 HydrophobicContact CG-CZ 3.74Å; E85-Y105 HydrophobicContact CG-CE1 3.92Å; E85-Y105 HydrophobicContact CG-CE2 4.26Å
86	R	81.1	Confident	71.1	Confident	196 Å²	196	91 Å²	91	74%	0.74	45%	0.453	S	S	*	.	H	α-helix	trans	-66.4	-42.3	177	-175.4	-177.4	-68.5	174.2	-0.8	112.3	S84 H89 K90	S84-R86 PolarHBondContact O-N 3.29Å; S84-R86 VanDerWaalsContact O-N 3.16Å; S84-R86 PolarHBondContact OG-N 3.34Å; R86-H89 PolarHBondContact O-N 3.43Å; R86-K90 PolarHBondContact O-N 2.63Å
87	A	82.1	Confident	72.1	Confident	1 Å²	1	86.9 Å²	86.9	1%	0.008	45%	0.446	C	S	.	.	H	α-helix	trans	-65.6	-42.6	175.5	0	0	0	0	0	112	C66 I69 D70 S84 H89 K90 Y91	C66-A87 HydrophobicContact CB-CB 4.22Å; C66-A87 WeakPolarHBondContact O-CB 3.45Å; I69-A87 HydrophobicContact CB-CB 3.94Å; I69-A87 HydrophobicContact CG2-CB 3.69Å; D70-A87 HydrophobicContact CB-CB 4.16Å; D70-A87 WeakPolarHBondContact OD1-CB 3.24Å; S84-A87 PolarHBondContact O-N 2.64Å; S84-A87 VanDerWaalsContact O-N 3.09Å; S84-A87 PolarHBondContact OG-N 3.29Å; S84-A87 VanDerWaalsContact OG-N 3.07Å; A87-H89 VanDerWaalsContact C-N 3.32Å; A87-H89 PolarHBondContact O-N 3.44Å; A87-K90 PolarHBondContact O-N 2.8Å; A87-Y91 PolarHBondContact O-N 3.16Å
88	C	81.4	Confident	73.4	Confident	0 Å²	0	86.8 Å²	86.8	0%	0	46%	0.463	C	S	.	.	H	α-helix	trans	-60.3	-43	172.9	-69.8	0	0	0	0	111.8	C66 Y83 S84 E85 K90 Y91 F92 F101 Y105	C66-C88 PolarHBondContact SG-SG 2.92Å; Y83-C88 WeakPolarHBondContact CD2-SG 3.06Å; S84-C88 PolarHBondContact O-N 3.33Å; S84-C88 VanDerWaalsContact O-N 3.15Å; E85-C88 PolarHBondContact O-N 3.4Å; C88-K90 VanDerWaalsContact C-N 3.34Å; C88-K90 PolarHBondContact O-N 3.26Å; C88-Y91 WeakPolarHBondContact O-CB 3.48Å; C88-Y91 PolarHBondContact O-N 2.85Å; C88-F92 HydrophobicContact CB-CD2 4.27Å; C88-F92 HydrophobicContact CB-CE2 4.02Å; C88-F92 WeakPolarHBondContact O-CD2 3.39Å; C88-F92 PolarHBondContact O-N 3.41Å; C88-F101 HydrophobicContact CB-CE2 4.3Å; C88-Y105 HydrophobicContact CB-CD2 3.71Å; C88-Y105 HydrophobicContact CB-CE2 3.76Å
89	H	86	Confident	75.3	Confident	87 Å²	87	79.8 Å²	79.8	40%	0.403	44%	0.438	S	S	.	.	H	α-helix	trans	-58.4	-48.5	176.3	-175.1	-81.2	0	0	0	111.2	E85 R86 A87 Y91 F92 T93 F101	E85-H89 WeakPolarHBondContact O-CB 3.26Å; E85-H89 PolarHBondContact O-N 3.26Å; R86-H89 PolarHBondContact O-N 3.43Å; A87-H89 VanDerWaalsContact C-N 3.32Å; A87-H89 PolarHBondContact O-N 3.44Å; H89-Y91 VanDerWaalsContact C-N 3.33Å; H89-Y91 PolarHBondContact O-N 2.85Å; H89-F92 PolarHBondContact O-N 3.46Å; H89-T93 WeakPolarHBondContact O-CB 3.12Å; H89-T93 WeakPolarHBondContact O-CG2 3.24Å; H89-T93 PolarHBondContact O-N 3.47Å; H89-T93 PolarHBondContact O-OG1 3.5Å; H89-F101 HydrophobicContact CB-CD2 3.97Å; H89-F101 HydrophobicContact CB-CE1 4.43Å; H89-F101 HydrophobicContact CB-CE2 3.59Å; H89-F101 HydrophobicContact CB-CZ 3.82Å; H89-F101 AromaticContact CD2-CD1 3.58Å; H89-F101 AromaticContact CD2-CD2 3.71Å; H89-F101 AromaticContact CD2-CE1 3.9Å; H89-F101 AromaticContact CD2-CG 3.45Å; H89-F101 VanDerWaalsContact CD2-CG 3.45Å; H89-F101 WeakPolarHBondContact CD2-CG 3.37Å; H89-F101 VanDerWaalsContact N-CE2 3.35Å
90	K	85.7	Confident	77.3	Confident	106 Å²	106	75.4 Å²	75.4	46%	0.461	42%	0.422	S	S	.	.	H	α-helix	trans	-59.8	-43.1	175.9	-173.5	172	175.4	-173.3	0	111.7	I69 R86 A87 C88 T93 T94	I69-K90 HydrophobicContact CD1-CB 4.37Å; I69-K90 HydrophobicContact CD1-CG 4.35Å; I69-K90 HydrophobicContact CG2-CB 4.31Å; I69-K90 HydrophobicContact CG2-CD 3.78Å; I69-K90 HydrophobicContact CG2-CG 4.45Å; R86-K90 PolarHBondContact O-N 2.63Å; A87-K90 PolarHBondContact O-N 2.8Å; C88-K90 VanDerWaalsContact C-N 3.34Å; C88-K90 PolarHBondContact O-N 3.26Å; K90-T93 PolarHBondContact O-OG1 2.97Å; K90-T94 WeakPolarHBondContact O-CB 3.44Å; K90-T94 PolarHBondContact O-N 2.75Å; K90-T94 PolarHBondContact O-OG1 2.85Å
91	Y	86.1	Confident	79.1	Confident	28 Å²	28	73.7 Å²	73.7	11%	0.11	41%	0.406	C	S	.	.	H	α-helix	trans	-59.6	-55.1	176	175.3	-96	0	0	0	112.3	T62 T65 A87 C88 H89 T93 T94 Y95	T62-Y91 HydrophobicContact CG2-CD1 3.68Å; T62-Y91 HydrophobicContact CG2-CE1 3.33Å; T62-Y91 HydrophobicContact CG2-CG 4.47Å; T62-Y91 PolarHBondContact OG1-OH 3.47Å; T65-Y91 HydrophobicContact CG2-CD2 3.53Å; T65-Y91 HydrophobicContact CG2-CE2 3.87Å; A87-Y91 PolarHBondContact O-N 3.16Å; C88-Y91 WeakPolarHBondContact O-CB 3.48Å; C88-Y91 PolarHBondContact O-N 2.85Å; H89-Y91 VanDerWaalsContact C-N 3.33Å; H89-Y91 PolarHBondContact O-N 2.85Å; Y91-T93 PolarHBondContact O-N 3.33Å; Y91-T94 PolarHBondContact O-N 3.44Å; Y91-T94 VanDerWaalsContact O-N 3.16Å; Y91-Y95 AromaticContact CD2-CD2 3.38Å; Y91-Y95 HydrophobicContact CD2-CD2 3.38Å; Y91-Y95 AromaticContact CD2-CE2 3.93Å; Y91-Y95 HydrophobicContact CD2-CE2 3.93Å; Y91-Y95 HydrophobicContact CD2-CG 4.25Å; Y91-Y95 AromaticContact CE2-CD2 3.73Å; Y91-Y95 HydrophobicContact CE2-CD2 3.73Å; Y91-Y95 HydrophobicContact CE2-CE2 4.4Å; Y91-Y95 HydrophobicContact CE2-CG 4.18Å; Y91-Y95 HydrophobicContact CG-CD2 4.09Å; Y91-Y95 WeakPolarHBondContact O-CD2 3.16Å; Y91-Y95 PolarHBondContact O-N 2.83Å
92	F	85.6	Confident	80.6	Confident	5 Å²	5	72.9 Å²	72.9	2%	0.022	39%	0.391	C	S	.	.	H	α-helix	trans	-65.2	-39.7	-174.8	-69.2	-56.6	0	0	0	112.5	T62 C88 H89 T94 K96 F101 E104 Y105 F108	T62-F92 HydrophobicContact CG2-CE1 4.2Å; T62-F92 HydrophobicContact CG2-CZ 4.01Å; C88-F92 HydrophobicContact CB-CD2 4.27Å; C88-F92 HydrophobicContact CB-CE2 4.02Å; C88-F92 WeakPolarHBondContact O-CD2 3.39Å; C88-F92 PolarHBondContact O-N 3.41Å; H89-F92 PolarHBondContact O-N 3.46Å; F92-T94 VanDerWaalsContact C-N 3.32Å; F92-T94 PolarHBondContact O-N 3.34Å; F92-K96 HydrophobicContact CD1-CD 4.07Å; F92-K96 HydrophobicContact CE1-CD 4.43Å; F92-K96 CarbonylContact O-C 3.54Å; F92-K96 VanDerWaalsContact O-C 3.32Å; F92-K96 WeakPolarHBondContact O-CA 3.44Å; F92-K96 WeakPolarHBondContact O-CB 3.42Å; F92-K96 PolarHBondContact O-N 2.98Å; F92-F101 HydrophobicContact CB-CD2 4.3Å; F92-F101 AromaticContact CD2-CD2 3.89Å; F92-F101 HydrophobicContact CD2-CD2 3.89Å; F92-F101 AromaticContact CD2-CE2 3.93Å; F92-F101 HydrophobicContact CD2-CE2 3.93Å; F92-E104 HydrophobicContact CD1-CB 3.74Å; F92-E104 HydrophobicContact CD1-CG 4.26Å; F92-E104 HydrophobicContact CD2-CB 4.3Å; F92-E104 HydrophobicContact CE1-CB 3.88Å; F92-E104 HydrophobicContact CE2-CB 4.41Å; F92-E104 HydrophobicContact CG-CB 3.98Å; F92-E104 HydrophobicContact CZ-CB 4.23Å; F92-Y105 HydrophobicContact CE2-CD2 4.35Å; F92-F108 HydrophobicContact CE2-CB 4.38Å; F92-F108 HydrophobicContact CZ-CB 3.79Å; F92-F108 HydrophobicContact CZ-CD1 4.43Å; F92-F108 HydrophobicContact CZ-CG 4.02Å
93	T	84.9	Confident	81.6	Confident	77 Å²	77	74.2 Å²	74.2	47%	0.472	40%	0.395	S	S	.	.	H	α-helix	trans	-68.4	-29.9	176	51.9	0	0	0	0	113.3	H89 K90 Y91	H89-T93 WeakPolarHBondContact O-CB 3.12Å; H89-T93 WeakPolarHBondContact O-CG2 3.24Å; H89-T93 PolarHBondContact O-N 3.47Å; H89-T93 PolarHBondContact O-OG1 3.5Å; K90-T93 PolarHBondContact O-OG1 2.97Å; Y91-T93 PolarHBondContact O-N 3.33Å
94	T	85.3	Confident	82.3	Confident	78 Å²	78	73 Å²	73	48%	0.479	39%	0.392	S	S	.	.	H	α-helix	trans	-83.4	-45	179.7	-55.5	0	0	0	0	112.4	K90 Y91 F92	K90-T94 WeakPolarHBondContact O-CB 3.44Å; K90-T94 PolarHBondContact O-N 2.75Å; K90-T94 PolarHBondContact O-OG1 2.85Å; Y91-T94 PolarHBondContact O-N 3.44Å; Y91-T94 VanDerWaalsContact O-N 3.16Å; F92-T94 VanDerWaalsContact C-N 3.32Å; F92-T94 PolarHBondContact O-N 3.34Å
95	Y	82.6	Confident	82.5	Confident	146 Å²	146	73 Å²	73	57%	0.573	39%	0.387	S	S	*	.	H	α-helix	trans	-108.2	-10.8	-166.9	-60.7	-75.4	0	0	0	114.3	T65 Y91 P97	T65-Y95 HydrophobicContact CG2-CE2 4.23Å; Y91-Y95 AromaticContact CD2-CD2 3.38Å; Y91-Y95 HydrophobicContact CD2-CD2 3.38Å; Y91-Y95 AromaticContact CD2-CE2 3.93Å; Y91-Y95 HydrophobicContact CD2-CE2 3.93Å; Y91-Y95 HydrophobicContact CD2-CG 4.25Å; Y91-Y95 AromaticContact CE2-CD2 3.73Å; Y91-Y95 HydrophobicContact CE2-CD2 3.73Å; Y91-Y95 HydrophobicContact CE2-CE2 4.4Å; Y91-Y95 HydrophobicContact CE2-CG 4.18Å; Y91-Y95 HydrophobicContact CG-CD2 4.09Å; Y91-Y95 WeakPolarHBondContact O-CD2 3.16Å; Y91-Y95 PolarHBondContact O-N 2.83Å; Y95-P97 VanDerWaalsContact C-CD 3.43Å
96	K	81	Confident	82.6	Confident	67 Å²	67	71.9 Å²	71.9	29%	0.291	39%	0.387	S	S	.	.	S	Bend	trans	-128.7	59.7	173.6	-69.8	-169.9	173.5	174.1	0	111.5	F92 G98 A99 E104	F92-K96 HydrophobicContact CD1-CD 4.07Å; F92-K96 HydrophobicContact CE1-CD 4.43Å; F92-K96 CarbonylContact O-C 3.54Å; F92-K96 VanDerWaalsContact O-C 3.32Å; F92-K96 WeakPolarHBondContact O-CA 3.44Å; F92-K96 WeakPolarHBondContact O-CB 3.42Å; F92-K96 PolarHBondContact O-N 2.98Å; K96-G98 PolarHBondContact O-N 3.45Å; K96-A99 HydrophobicContact CB-CB 4.47Å; K96-A99 PolarHBondContact O-N 3.46Å; K96-E104 HydrophobicContact CD-CG 4.39Å; K96-E104 IonicContact NZ-OE2 2.71Å; K96-E104 PolarHBondContact NZ-OE2 2.76Å
97	P	76.1	Confident	82.6	Confident	112 Å²	112	66.7 Å²	66.7	73%	0.727	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	128.1	178	26.8	-33.9	0	0	0	110.1	Y95	Y95-P97 VanDerWaalsContact C-CD 3.43Å
98	G	79.8	Confident	82.6	Confident	88 Å²	88	66.6 Å²	66.6	91%	0.907	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.1	-14.3	-180	0	0	0	0	0	115.4	K96	K96-G98 PolarHBondContact O-N 3.45Å
99	A	78.8	Confident	82.5	Confident	45 Å²	45	72.8 Å²	72.8	37%	0.372	39%	0.39	S	S	.	.	S	Bend	trans	-89.9	142.6	171.6	0	0	0	0	0	111.3	K96 F101 E104	K96-A99 HydrophobicContact CB-CB 4.47Å; K96-A99 PolarHBondContact O-N 3.46Å; A99-F101 PolarHBondContact O-N 3.2Å; A99-E104 HydrophobicContact CB-CG 3.58Å
100	T	84.5	Confident	82.2	Confident	92 Å²	92	74.3 Å²	74.3	56%	0.564	40%	0.397	S	S	*	.			trans	-73.2	130.6	174.9	62	0	0	0	0	109.6	Q102 S103 E104	T100-Q102 PolarHBondContact O-N 2.77Å; T100-S103 PolarHBondContact O-N 3.25Å; T100-S103 VanDerWaalsContact O-N 3.09Å; T100-S103 PolarHBondContact O-OG 3.43Å; T100-S103 VanDerWaalsContact OG1-CB 3.28Å; T100-S103 WeakPolarHBondContact OG1-CB 3.33Å; T100-S103 PolarHBondContact OG1-OG 3.47Å; T100-E104 PolarHBondContact O-N 3.29Å; T100-E104 VanDerWaalsContact O-N 3.16Å
101	F	83.7	Confident	81.7	Confident	36 Å²	36	70.2 Å²	70.2	16%	0.158	38%	0.382	C	S	.	.	H	α-helix	trans	-51.8	-44	179.2	170.4	-109.2	0	0	0	112.1	E85 C88 H89 F92 A99 S103 E104 Y105	E85-F101 HydrophobicContact CG-CE1 4.17Å; E85-F101 HydrophobicContact CG-CZ 3.74Å; C88-F101 HydrophobicContact CB-CE2 4.3Å; H89-F101 HydrophobicContact CB-CD2 3.97Å; H89-F101 HydrophobicContact CB-CE1 4.43Å; H89-F101 HydrophobicContact CB-CE2 3.59Å; H89-F101 HydrophobicContact CB-CZ 3.82Å; H89-F101 AromaticContact CD2-CD1 3.58Å; H89-F101 AromaticContact CD2-CD2 3.71Å; H89-F101 AromaticContact CD2-CE1 3.9Å; H89-F101 AromaticContact CD2-CG 3.45Å; H89-F101 VanDerWaalsContact CD2-CG 3.45Å; H89-F101 WeakPolarHBondContact CD2-CG 3.37Å; H89-F101 VanDerWaalsContact N-CE2 3.35Å; F92-F101 HydrophobicContact CB-CD2 4.3Å; F92-F101 AromaticContact CD2-CD2 3.89Å; F92-F101 HydrophobicContact CD2-CD2 3.89Å; F92-F101 AromaticContact CD2-CE2 3.93Å; F92-F101 HydrophobicContact CD2-CE2 3.93Å; A99-F101 PolarHBondContact O-N 3.2Å; F101-S103 VanDerWaalsContact C-N 3.34Å; F101-S103 PolarHBondContact O-N 3.26Å; F101-E104 PolarHBondContact O-N 3.38Å; F101-Y105 HydrophobicContact CE1-CG 4.4Å; F101-Y105 HydrophobicContact CE2-CD2 4.07Å; F101-Y105 HydrophobicContact CE2-CG 4.02Å; F101-Y105 HydrophobicContact CZ-CD1 4.18Å; F101-Y105 AromaticContact CZ-CD2 3.99Å; F101-Y105 HydrophobicContact CZ-CD2 3.99Å; F101-Y105 AromaticContact CZ-CG 3.75Å; F101-Y105 HydrophobicContact CZ-CG 3.75Å; F101-Y105 WeakPolarHBondContact O-CB 2.99Å; F101-Y105 PolarHBondContact O-N 3.27Å
102	Q	82.7	Confident	81	Confident	137 Å²	137	69.5 Å²	69.5	64%	0.64	38%	0.38	S	S	*	.	H	α-helix	trans	-56.9	-45.4	-179.9	-161.1	82.3	15.3	0	0	112.3	T100 V106	T100-Q102 PolarHBondContact O-N 2.77Å; Q102-V106 WeakPolarHBondContact O-CB 3.5Å; Q102-V106 WeakPolarHBondContact O-CG2 3.36Å; Q102-V106 PolarHBondContact O-N 3.5Å; Q102-V106 VanDerWaalsContact O-N 3.14Å
103	S	83.9	Confident	80.3	Confident	58 Å²	58	73 Å²	73	41%	0.406	40%	0.397	S	S	.	.	H	α-helix	trans	-70.3	-44.1	-177.7	65.3	0	0	0	0	111.7	T100 F101 R107	T100-S103 PolarHBondContact O-N 3.25Å; T100-S103 VanDerWaalsContact O-N 3.09Å; T100-S103 PolarHBondContact O-OG 3.43Å; T100-S103 VanDerWaalsContact OG1-CB 3.28Å; T100-S103 WeakPolarHBondContact OG1-CB 3.33Å; T100-S103 PolarHBondContact OG1-OG 3.47Å; F101-S103 VanDerWaalsContact C-N 3.34Å; F101-S103 PolarHBondContact O-N 3.26Å; S103-R107 VanDerWaalsContact O-CB 3.32Å; S103-R107 WeakPolarHBondContact O-CB 3.38Å; S103-R107 PolarHBondContact O-N 2.93Å
104	E	81.2	Confident	79.6	Confident	30 Å²	30	74.1 Å²	74.1	14%	0.14	40%	0.395	C	S	.	.	H	α-helix	trans	-68.6	-40.4	179.2	-76	-62.9	127.8	0	0	112.5	F92 K96 A99 T100 F101 R107 F108	F92-E104 HydrophobicContact CD1-CB 3.74Å; F92-E104 HydrophobicContact CD1-CG 4.26Å; F92-E104 HydrophobicContact CD2-CB 4.3Å; F92-E104 HydrophobicContact CE1-CB 3.88Å; F92-E104 HydrophobicContact CE2-CB 4.41Å; F92-E104 HydrophobicContact CG-CB 3.98Å; F92-E104 HydrophobicContact CZ-CB 4.23Å; K96-E104 HydrophobicContact CD-CG 4.39Å; K96-E104 IonicContact NZ-OE2 2.71Å; K96-E104 PolarHBondContact NZ-OE2 2.76Å; A99-E104 HydrophobicContact CB-CG 3.58Å; T100-E104 PolarHBondContact O-N 3.29Å; T100-E104 VanDerWaalsContact O-N 3.16Å; F101-E104 PolarHBondContact O-N 3.38Å; E104-R107 PolarHBondContact O-N 3.07Å; E104-R107 IonicContact OE1-NE 3.54Å; E104-R107 IonicContact OE2-CZ 3.35Å; E104-R107 IonicContact OE2-NE 2.69Å; E104-R107 PolarHBondContact OE2-NE 2.71Å; E104-R107 IonicContact OE2-NH2 3.12Å; E104-R107 PolarHBondContact OE2-NH2 3.12Å; E104-F108 WeakPolarHBondContact O-CB 3.21Å; E104-F108 PolarHBondContact O-N 2.69Å
105	Y	81.3	Confident	78.6	Confident	36 Å²	36	70.6 Å²	70.6	14%	0.141	37%	0.373	C	S	.	.	H	α-helix	trans	-67.4	-42.3	-180	-175.8	-114.3	0	0	0	112.1	Y83 E85 C88 F92 F101 F108 R109	Y83-Y105 HydrophobicContact CE2-CE2 4.15Å; E85-Y105 HydrophobicContact CG-CE1 3.92Å; E85-Y105 HydrophobicContact CG-CE2 4.26Å; C88-Y105 HydrophobicContact CB-CD2 3.71Å; C88-Y105 HydrophobicContact CB-CE2 3.76Å; F92-Y105 HydrophobicContact CE2-CD2 4.35Å; F101-Y105 HydrophobicContact CE1-CG 4.4Å; F101-Y105 HydrophobicContact CE2-CD2 4.07Å; F101-Y105 HydrophobicContact CE2-CG 4.02Å; F101-Y105 HydrophobicContact CZ-CD1 4.18Å; F101-Y105 AromaticContact CZ-CD2 3.99Å; F101-Y105 HydrophobicContact CZ-CD2 3.99Å; F101-Y105 AromaticContact CZ-CG 3.75Å; F101-Y105 HydrophobicContact CZ-CG 3.75Å; F101-Y105 WeakPolarHBondContact O-CB 2.99Å; F101-Y105 PolarHBondContact O-N 3.27Å; Y105-F108 PolarHBondContact O-N 2.7Å; Y105-R109 WeakPolarHBondContact O-CB 3.37Å; Y105-R109 PolarHBondContact O-N 2.91Å
106	V	80.7	Confident	77.7	Confident	84 Å²	84	68 Å²	68	51%	0.509	37%	0.369	S	S	.	.	H	α-helix	trans	-64.1	-45.1	175.1	171.7	0	0	0	0	110.7	Q102 F108 R109 H110	Q102-V106 WeakPolarHBondContact O-CB 3.5Å; Q102-V106 WeakPolarHBondContact O-CG2 3.36Å; Q102-V106 PolarHBondContact O-N 3.5Å; Q102-V106 VanDerWaalsContact O-N 3.14Å; V106-F108 VanDerWaalsContact C-N 3.34Å; V106-F108 PolarHBondContact O-N 2.94Å; V106-R109 PolarHBondContact O-N 3.28Å; V106-H110 VanDerWaalsContact O-CB 3.29Å; V106-H110 WeakPolarHBondContact O-CB 3.43Å; V106-H110 PolarHBondContact O-N 2.97Å
107	R	81.3	Confident	76.9	Confident	87 Å²	87	69.2 Å²	69.2	33%	0.328	38%	0.378	S	S	.	.	H	α-helix	trans	-59.1	-45.2	175.8	-172.4	-173.9	69.1	67.9	13.4	111.5	E59 S103 E104 S111	E59-R107 IonicContact OE1-CZ 2.83Å; E59-R107 IonicContact OE1-NH1 3.52Å; E59-R107 PolarHBondContact OE1-NH1 2.92Å; E59-R107 IonicContact OE1-NH2 3.42Å; E59-R107 PolarHBondContact OE1-NH2 2.9Å; E59-R107 VanDerWaalsContact OE1-NH2 3.12Å; S103-R107 VanDerWaalsContact O-CB 3.32Å; S103-R107 WeakPolarHBondContact O-CB 3.38Å; S103-R107 PolarHBondContact O-N 2.93Å; E104-R107 PolarHBondContact O-N 3.07Å; E104-R107 IonicContact OE1-NE 3.54Å; E104-R107 IonicContact OE2-CZ 3.35Å; E104-R107 IonicContact OE2-NE 2.69Å; E104-R107 PolarHBondContact OE2-NE 2.71Å; E104-R107 IonicContact OE2-NH2 3.12Å; E104-R107 PolarHBondContact OE2-NH2 3.12Å; R107-S111 WeakPolarHBondContact O-CB 3.45Å; R107-S111 PolarHBondContact O-N 3.39Å; R107-S111 PolarHBondContact O-OG 2.83Å
108	F	81.4	Confident	76.1	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-52.9	178.4	171.8	-111.1	0	0	0	111.8	E59 T62 L63 Y83 F92 E104 Y105 V106 H110 S111 I112	E59-F108 HydrophobicContact CB-CD2 4.25Å; E59-F108 HydrophobicContact CB-CE2 4.21Å; E59-F108 WeakPolarHBondContact OE2-CD2 3.37Å; T62-F108 HydrophobicContact CG2-CD2 3.74Å; T62-F108 HydrophobicContact CG2-CE2 3.57Å; T62-F108 HydrophobicContact CG2-CG 4.42Å; T62-F108 HydrophobicContact CG2-CZ 4.12Å; L63-F108 HydrophobicContact CB-CE2 4.24Å; L63-F108 HydrophobicContact CB-CZ 3.93Å; L63-F108 HydrophobicContact CD1-CZ 4.24Å; Y83-F108 HydrophobicContact CD2-CE1 4.25Å; Y83-F108 HydrophobicContact CE1-CE1 4.21Å; Y83-F108 HydrophobicContact CE2-CD1 4.41Å; Y83-F108 AromaticContact CE2-CE1 3.69Å; Y83-F108 HydrophobicContact CE2-CE1 3.69Å; Y83-F108 AromaticContact CZ-CE1 3.65Å; F92-F108 HydrophobicContact CE2-CB 4.38Å; F92-F108 HydrophobicContact CZ-CB 3.79Å; F92-F108 HydrophobicContact CZ-CD1 4.43Å; F92-F108 HydrophobicContact CZ-CG 4.02Å; E104-F108 WeakPolarHBondContact O-CB 3.21Å; E104-F108 PolarHBondContact O-N 2.69Å; Y105-F108 PolarHBondContact O-N 2.7Å; V106-F108 VanDerWaalsContact C-N 3.34Å; V106-F108 PolarHBondContact O-N 2.94Å; F108-H110 VanDerWaalsContact C-N 3.34Å; F108-H110 PolarHBondContact O-N 2.9Å; F108-S111 WeakPolarHBondContact O-CB 3.18Å; F108-S111 PolarHBondContact O-N 3.12Å; F108-S111 VanDerWaalsContact O-N 3.12Å; F108-I112 HydrophobicContact CD2-CG1 4.2Å; F108-I112 HydrophobicContact CE1-CG1 4.44Å; F108-I112 HydrophobicContact CE2-CD1 4.01Å; F108-I112 HydrophobicContact CE2-CG1 3.78Å; F108-I112 HydrophobicContact CZ-CD1 4.36Å; F108-I112 HydrophobicContact CZ-CG1 3.92Å; F108-I112 WeakPolarHBondContact O-CG1 3.4Å; F108-I112 PolarHBondContact O-N 3.42Å
109	R	79.5	Confident	75.2	Confident	130 Å²	130	64.1 Å²	64.1	49%	0.491	32%	0.323	S	S	.	.	H	α-helix	trans	-58	-46.9	178.7	-178.4	-180	167.4	-173.6	-4.6	111.6	Y105 V106 S111 I112 E113	Y105-R109 WeakPolarHBondContact O-CB 3.37Å; Y105-R109 PolarHBondContact O-N 2.91Å; V106-R109 PolarHBondContact O-N 3.28Å; R109-S111 VanDerWaalsContact C-N 3.29Å; R109-S111 PolarHBondContact O-N 2.97Å; R109-I112 PolarHBondContact O-N 3.28Å; R109-E113 HydrophobicContact CG-CG 4.42Å; R109-E113 IonicContact CZ-OE1 3.35Å; R109-E113 IonicContact NE-OE1 2.76Å; R109-E113 PolarHBondContact NE-OE1 3.18Å; R109-E113 IonicContact NH2-OE1 3.04Å; R109-E113 PolarHBondContact NH2-OE1 3.38Å; R109-E113 WeakPolarHBondContact O-CB 3.23Å; R109-E113 WeakPolarHBondContact O-CG 3.34Å; R109-E113 PolarHBondContact O-N 3.38Å
110	H	79.4	Confident	74.2	Confident	118 Å²	118	69.4 Å²	69.4	55%	0.546	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-37.8	178	-173.1	51.2	0	0	0	112.1	V106 F108 K114	V106-H110 VanDerWaalsContact O-CB 3.29Å; V106-H110 WeakPolarHBondContact O-CB 3.43Å; V106-H110 PolarHBondContact O-N 2.97Å; F108-H110 VanDerWaalsContact C-N 3.34Å; F108-H110 PolarHBondContact O-N 2.9Å; H110-K114 WeakPolarHBondContact O-CB 3.43Å; H110-K114 PolarHBondContact O-N 3.4Å
111	S	76.5	Confident	72.9	Confident	21 Å²	21	69.7 Å²	69.7	15%	0.147	33%	0.328	C	S	.	.	H	α-helix	trans	-65	-44	176.3	-58	0	0	0	0	111.8	R107 F108 R109 V115	R107-S111 WeakPolarHBondContact O-CB 3.45Å; R107-S111 PolarHBondContact O-N 3.39Å; R107-S111 PolarHBondContact O-OG 2.83Å; F108-S111 WeakPolarHBondContact O-CB 3.18Å; F108-S111 PolarHBondContact O-N 3.12Å; F108-S111 VanDerWaalsContact O-N 3.12Å; R109-S111 VanDerWaalsContact C-N 3.29Å; R109-S111 PolarHBondContact O-N 2.97Å; S111-V115 WeakPolarHBondContact O-CB 3.34Å; S111-V115 WeakPolarHBondContact O-CG2 3.3Å; S111-V115 PolarHBondContact O-N 2.79Å
112	I	71.3	Confident	71.7	Confident	13 Å²	13	71.1 Å²	71.1	7%	0.067	33%	0.334	C	S	.	.	H	α-helix	trans	-66.3	-45.6	177.3	-63.4	-61.6	0	0	0	111.5	E59 L63 F108 R109 V115 N116	E59-I112 HydrophobicContact CB-CD1 4.03Å; L63-I112 HydrophobicContact CD2-CD1 4.37Å; F108-I112 HydrophobicContact CD2-CG1 4.2Å; F108-I112 HydrophobicContact CE1-CG1 4.44Å; F108-I112 HydrophobicContact CE2-CD1 4.01Å; F108-I112 HydrophobicContact CE2-CG1 3.78Å; F108-I112 HydrophobicContact CZ-CD1 4.36Å; F108-I112 HydrophobicContact CZ-CG1 3.92Å; F108-I112 WeakPolarHBondContact O-CG1 3.4Å; F108-I112 PolarHBondContact O-N 3.42Å; R109-I112 PolarHBondContact O-N 3.28Å; I112-V115 PolarHBondContact O-N 2.85Å; I112-N116 PolarHBondContact O-N 2.88Å
113	E	71.2	Confident	70.6	Confident	79 Å²	79	68.5 Å²	68.5	37%	0.369	33%	0.325	S	S	.	.	H	α-helix	trans	-60.6	-46.7	177	-74.8	175.2	176.6	0	0	111.3	R109 V115 N116 I117	R109-E113 HydrophobicContact CG-CG 4.42Å; R109-E113 IonicContact CZ-OE1 3.35Å; R109-E113 IonicContact NE-OE1 2.76Å; R109-E113 PolarHBondContact NE-OE1 3.18Å; R109-E113 IonicContact NH2-OE1 3.04Å; R109-E113 PolarHBondContact NH2-OE1 3.38Å; R109-E113 WeakPolarHBondContact O-CB 3.23Å; R109-E113 WeakPolarHBondContact O-CG 3.34Å; R109-E113 PolarHBondContact O-N 3.38Å; E113-V115 PolarHBondContact O-N 2.9Å; E113-N116 PolarHBondContact O-N 3.11Å; E113-I117 WeakPolarHBondContact O-CG1 3.39Å; E113-I117 PolarHBondContact O-N 2.98Å
114	K	68.6	Low	69.5	Low	99 Å²	99	71.7 Å²	71.7	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-61.3	-45.7	177.7	-176.3	175.4	-177.7	-176.7	0	111.6	L52 H110 N116 I117 D118	L52-K114 HydrophobicContact CD2-CD 4.21Å; H110-K114 WeakPolarHBondContact O-CB 3.43Å; H110-K114 PolarHBondContact O-N 3.4Å; K114-N116 PolarHBondContact O-N 3.44Å; K114-I117 PolarHBondContact O-N 2.84Å; K114-D118 WeakPolarHBondContact CG-OD2 3.19Å; K114-D118 WeakPolarHBondContact O-CB 3.33Å; K114-D118 VanDerWaalsContact O-CG 3.3Å; K114-D118 PolarHBondContact O-N 3.41Å
115	V	65.1	Low	68.5	Low	4 Å²	4	74.4 Å²	74.4	2%	0.024	34%	0.338	C	S	.	.	H	α-helix	trans	-62.5	-43.4	176.7	171.3	0	0	0	0	111.6	Y56 S111 I112 E113 I117 D118 I119	Y56-V115 HydrophobicContact CD2-CB 3.92Å; Y56-V115 HydrophobicContact CD2-CG1 3.29Å; Y56-V115 HydrophobicContact CD2-CG2 4.2Å; Y56-V115 HydrophobicContact CE2-CG1 4.02Å; Y56-V115 HydrophobicContact CG-CB 4.45Å; Y56-V115 HydrophobicContact CG-CG1 3.61Å; Y56-V115 HydrophobicContact CG-CG2 4.43Å; S111-V115 WeakPolarHBondContact O-CB 3.34Å; S111-V115 WeakPolarHBondContact O-CG2 3.3Å; S111-V115 PolarHBondContact O-N 2.79Å; I112-V115 PolarHBondContact O-N 2.85Å; E113-V115 PolarHBondContact O-N 2.9Å; V115-I117 PolarHBondContact O-N 3.15Å; V115-D118 PolarHBondContact O-N 3.16Å; V115-D118 VanDerWaalsContact O-N 3.16Å; V115-I119 HydrophobicContact CG1-CD1 3.38Å; V115-I119 HydrophobicContact CG1-CG1 3.76Å; V115-I119 WeakPolarHBondContact O-CB 3.34Å; V115-I119 WeakPolarHBondContact O-CG1 3.45Å; V115-I119 PolarHBondContact O-N 3.4Å
116	N	64.4	Low	67.4	Low	92 Å²	92	76.5 Å²	76.5	49%	0.492	35%	0.352	S	S	.	.	H	α-helix	trans	-59	-40.9	178.7	-77.3	-20.8	0	0	0	111.3	I112 E113 K114 Y120	I112-N116 PolarHBondContact O-N 2.88Å; E113-N116 PolarHBondContact O-N 3.11Å; K114-N116 PolarHBondContact O-N 3.44Å; N116-Y120 VanDerWaalsContact O-CB 3.23Å; N116-Y120 WeakPolarHBondContact O-CB 3.36Å; N116-Y120 PolarHBondContact O-N 3.46Å
117	I	63.6	Low	66.4	Low	92 Å²	92	78.5 Å²	78.5	47%	0.472	36%	0.358	S	S	.	.	H	α-helix	trans	-64.6	-47.2	174.7	-68.1	167.3	0	0	0	110.6	E113 K114 V115 Y120 F121	E113-I117 WeakPolarHBondContact O-CG1 3.39Å; E113-I117 PolarHBondContact O-N 2.98Å; K114-I117 PolarHBondContact O-N 2.84Å; V115-I117 PolarHBondContact O-N 3.15Å; I117-Y120 WeakPolarHBondContact O-CB 3.46Å; I117-Y120 PolarHBondContact O-N 2.84Å; I117-F121 HydrophobicContact CG2-CD2 3.56Å; I117-F121 HydrophobicContact CG2-CE2 3.47Å; I117-F121 VanDerWaalsContact CG2-CE2 3.47Å; I117-F121 WeakPolarHBondContact O-CD2 3.45Å; I117-F121 PolarHBondContact O-N 3.46Å
118	D	59.2	Low	65.3	Low	39 Å²	39	78.5 Å²	78.5	21%	0.209	36%	0.361	C	S	.	.	H	α-helix	trans	-70.3	-35.5	-177	-70.3	-32.5	0	0	0	112.6	L52 K114 V115 F121 F122	L52-D118 HydrophobicContact CD1-CB 4.08Å; L52-D118 WeakPolarHBondContact CD1-OD2 3.31Å; K114-D118 WeakPolarHBondContact CG-OD2 3.19Å; K114-D118 WeakPolarHBondContact O-CB 3.33Å; K114-D118 VanDerWaalsContact O-CG 3.3Å; K114-D118 PolarHBondContact O-N 3.41Å; V115-D118 PolarHBondContact O-N 3.16Å; V115-D118 VanDerWaalsContact O-N 3.16Å; D118-F121 PolarHBondContact O-N 2.88Å; D118-F122 VanDerWaalsContact O-CB 3.24Å; D118-F122 WeakPolarHBondContact O-CB 3.36Å; D118-F122 PolarHBondContact O-N 3.47Å
119	I	60.4	Low	64.3	Low	54 Å²	54	82.9 Å²	82.9	28%	0.277	38%	0.378	S	S	.	.	H	α-helix	trans	-66	-42.8	170.7	-71.6	176.2	0	0	0	110.1	V115 F121 F122 N123	V115-I119 HydrophobicContact CG1-CD1 3.38Å; V115-I119 HydrophobicContact CG1-CG1 3.76Å; V115-I119 WeakPolarHBondContact O-CB 3.34Å; V115-I119 WeakPolarHBondContact O-CG1 3.45Å; V115-I119 PolarHBondContact O-N 3.4Å; I119-F121 VanDerWaalsContact C-N 3.35Å; I119-F122 PolarHBondContact O-N 3.39Å; I119-N123 WeakPolarHBondContact O-CB 3.13Å; I119-N123 PolarHBondContact O-N 3.04Å; I119-N123 PolarHBondContact O-ND2 2.94Å
120	Y	58.2	Low	63.5	Low	156 Å²	156	83.3 Å²	83.3	61%	0.612	38%	0.383	S	S	*	.	H	α-helix	trans	-58.4	-47.9	174.4	174.3	-93.3	0	0	0	110.8	N116 I117 N123 Y124	N116-Y120 VanDerWaalsContact O-CB 3.23Å; N116-Y120 WeakPolarHBondContact O-CB 3.36Å; N116-Y120 PolarHBondContact O-N 3.46Å; I117-Y120 WeakPolarHBondContact O-CB 3.46Å; I117-Y120 PolarHBondContact O-N 2.84Å; Y120-N123 PolarHBondContact O-N 2.76Å; Y120-Y124 VanDerWaalsContact O-CB 3.3Å; Y120-Y124 WeakPolarHBondContact O-CB 3.39Å; Y120-Y124 PolarHBondContact O-N 3.26Å
121	F	56.4	Low	62.4	Low	99 Å²	99	81.6 Å²	81.6	43%	0.434	37%	0.374	S	S	.	.	H	α-helix	trans	-63.7	-41.9	175.1	-82.6	-65.5	0	0	0	112.4	I117 D118 I119 Y124 Y125	I117-F121 HydrophobicContact CG2-CD2 3.56Å; I117-F121 HydrophobicContact CG2-CE2 3.47Å; I117-F121 VanDerWaalsContact CG2-CE2 3.47Å; I117-F121 WeakPolarHBondContact O-CD2 3.45Å; I117-F121 PolarHBondContact O-N 3.46Å; D118-F121 PolarHBondContact O-N 2.88Å; I119-F121 VanDerWaalsContact C-N 3.35Å; F121-Y124 WeakPolarHBondContact O-CB 3.5Å; F121-Y124 PolarHBondContact O-N 3.29Å; F121-Y125 HydrophobicContact CB-CD2 4.48Å; F121-Y125 HydrophobicContact CB-CE2 4.47Å; F121-Y125 HydrophobicContact CD1-CE2 4.46Å; F121-Y125 WeakPolarHBondContact O-CD2 3.46Å; F121-Y125 PolarHBondContact O-N 3.43Å
122	F	59.8	Low	61.3	Low	65 Å²	65	82.4 Å²	82.4	29%	0.285	38%	0.377	S	S	.	.	H	α-helix	trans	-63.3	-45	178.1	-179	-106	0	0	0	112	T49 D118 I119 Y124 Y125 L126	T49-F122 HydrophobicContact CG2-CB 4.03Å; T49-F122 HydrophobicContact CG2-CD2 3.68Å; T49-F122 HydrophobicContact CG2-CE2 4.24Å; T49-F122 HydrophobicContact CG2-CG 3.85Å; D118-F122 VanDerWaalsContact O-CB 3.24Å; D118-F122 WeakPolarHBondContact O-CB 3.36Å; D118-F122 PolarHBondContact O-N 3.47Å; I119-F122 PolarHBondContact O-N 3.39Å; F122-Y124 VanDerWaalsContact C-N 3.34Å; F122-Y124 PolarHBondContact O-N 2.83Å; F122-Y125 PolarHBondContact O-N 3.38Å; F122-L126 HydrophobicContact CD1-CD1 3.71Å; F122-L126 HydrophobicContact CD1-CG 4.13Å; F122-L126 HydrophobicContact CE1-CD1 3.18Å; F122-L126 HydrophobicContact CE1-CD2 4.45Å; F122-L126 HydrophobicContact CE1-CG 3.77Å; F122-L126 HydrophobicContact CE2-CD2 4.5Å; F122-L126 HydrophobicContact CE2-CG 4.26Å; F122-L126 HydrophobicContact CZ-CD1 3.65Å; F122-L126 HydrophobicContact CZ-CD2 4.07Å; F122-L126 HydrophobicContact CZ-CG 3.83Å; F122-L126 WeakPolarHBondContact O-CB 3.34Å; F122-L126 WeakPolarHBondContact O-CG 3.49Å; F122-L126 PolarHBondContact O-N 2.75Å
123	N	58.9	Low	60.7	Low	82 Å²	82	85.6 Å²	85.6	44%	0.439	40%	0.4	S	S	.	.	H	α-helix	trans	-62.4	-42.5	174.1	-77.2	-27.2	0	0	0	111.3	I119 Y120 Y125 L126 I127	I119-N123 WeakPolarHBondContact O-CB 3.13Å; I119-N123 PolarHBondContact O-N 3.04Å; I119-N123 PolarHBondContact O-ND2 2.94Å; Y120-N123 PolarHBondContact O-N 2.76Å; N123-Y125 VanDerWaalsContact C-N 3.35Å; N123-Y125 PolarHBondContact O-N 3.16Å; N123-L126 PolarHBondContact O-N 2.66Å; N123-I127 WeakPolarHBondContact O-CB 3.37Å; N123-I127 WeakPolarHBondContact O-CD1 3.03Å; N123-I127 VanDerWaalsContact O-CG1 3.23Å; N123-I127 WeakPolarHBondContact O-CG1 3.49Å; N123-I127 PolarHBondContact O-N 2.95Å
124	Y	61.2	Low	60.4	Low	126 Å²	126	86.4 Å²	86.4	49%	0.494	40%	0.404	S	S	.	.	H	α-helix	trans	-57.5	-46.1	173.6	175.8	-93.1	0	0	0	111.8	Y120 F121 F122 K128	Y120-Y124 VanDerWaalsContact O-CB 3.3Å; Y120-Y124 WeakPolarHBondContact O-CB 3.39Å; Y120-Y124 PolarHBondContact O-N 3.26Å; F121-Y124 WeakPolarHBondContact O-CB 3.5Å; F121-Y124 PolarHBondContact O-N 3.29Å; F122-Y124 VanDerWaalsContact C-N 3.34Å; F122-Y124 PolarHBondContact O-N 2.83Å; Y124-K128 PolarHBondContact O-N 3.33Å; Y124-K128 VanDerWaalsContact O-N 3.14Å
125	Y	59.4	Low	59.8	Low	86 Å²	86	82.8 Å²	82.8	34%	0.337	39%	0.389	S	S	.	.	H	α-helix	trans	-67.5	-42.9	176.1	-79.2	-66.6	0	0	0	112.4	L45 F121 F122 N123 I127 K128 Y129	L45-Y125 HydrophobicContact CD2-CD2 4.11Å; L45-Y125 HydrophobicContact CD2-CE2 4.12Å; F121-Y125 HydrophobicContact CB-CD2 4.48Å; F121-Y125 HydrophobicContact CB-CE2 4.47Å; F121-Y125 HydrophobicContact CD1-CE2 4.46Å; F121-Y125 WeakPolarHBondContact O-CD2 3.46Å; F121-Y125 PolarHBondContact O-N 3.43Å; F122-Y125 PolarHBondContact O-N 3.38Å; N123-Y125 VanDerWaalsContact C-N 3.35Å; N123-Y125 PolarHBondContact O-N 3.16Å; Y125-I127 VanDerWaalsContact C-N 3.35Å; Y125-I127 PolarHBondContact O-N 3.39Å; Y125-K128 CarbonylContact O-C 3.52Å; Y125-K128 WeakPolarHBondContact O-CA 3.23Å; Y125-K128 WeakPolarHBondContact O-CB 3.48Å; Y125-K128 PolarHBondContact O-N 3.06Å; Y125-K128 VanDerWaalsContact O-N 3.12Å; Y125-Y129 HydrophobicContact CD1-CE2 4.4Å; Y125-Y129 WeakPolarHBondContact O-CD2 3.34Å; Y125-Y129 PolarHBondContact O-N 3.14Å
126	L	59.6	Low	59.5	Low	81 Å²	81	86.1 Å²	86.1	42%	0.424	41%	0.409	S	S	.	.	H	α-helix	trans	-59.9	-43.5	177.3	-83.4	-176.9	0	0	0	112	F122 N123 K128 Y129 K130	F122-L126 HydrophobicContact CD1-CD1 3.71Å; F122-L126 HydrophobicContact CD1-CG 4.13Å; F122-L126 HydrophobicContact CE1-CD1 3.18Å; F122-L126 HydrophobicContact CE1-CD2 4.45Å; F122-L126 HydrophobicContact CE1-CG 3.77Å; F122-L126 HydrophobicContact CE2-CD2 4.5Å; F122-L126 HydrophobicContact CE2-CG 4.26Å; F122-L126 HydrophobicContact CZ-CD1 3.65Å; F122-L126 HydrophobicContact CZ-CD2 4.07Å; F122-L126 HydrophobicContact CZ-CG 3.83Å; F122-L126 WeakPolarHBondContact O-CB 3.34Å; F122-L126 WeakPolarHBondContact O-CG 3.49Å; F122-L126 PolarHBondContact O-N 2.75Å; N123-L126 PolarHBondContact O-N 2.66Å; L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 3.39Å; L126-Y129 PolarHBondContact O-N 3.32Å; L126-K130 WeakPolarHBondContact O-CB 3.46Å; L126-K130 PolarHBondContact O-N 3.08Å
127	I	58.9	Low	59.6	Low	126 Å²	126	86.1 Å²	86.1	65%	0.646	41%	0.409	S	S	*	.	H	α-helix	trans	-58.6	-46.3	174.4	-69.7	165.3	0	0	0	109.4	N123 Y125 Y129 F131	N123-I127 WeakPolarHBondContact O-CB 3.37Å; N123-I127 WeakPolarHBondContact O-CD1 3.03Å; N123-I127 VanDerWaalsContact O-CG1 3.23Å; N123-I127 WeakPolarHBondContact O-CG1 3.49Å; N123-I127 PolarHBondContact O-N 2.95Å; Y125-I127 VanDerWaalsContact C-N 3.35Å; Y125-I127 PolarHBondContact O-N 3.39Å; I127-Y129 PolarHBondContact O-N 3.24Å; I127-F131 WeakPolarHBondContact O-CB 3.32Å; I127-F131 PolarHBondContact O-N 3.12Å; I127-F131 VanDerWaalsContact O-N 3.09Å
128	K	57.6	Low	59.5	Low	87 Å²	87	87.8 Å²	87.8	38%	0.378	42%	0.415	S	S	.	.	H	α-helix	trans	-61.4	-41.4	176.5	-165.8	176.5	-178.6	177.3	0	112.4	Y124 Y125 L126 L132	Y124-K128 PolarHBondContact O-N 3.33Å; Y124-K128 VanDerWaalsContact O-N 3.14Å; Y125-K128 CarbonylContact O-C 3.52Å; Y125-K128 WeakPolarHBondContact O-CA 3.23Å; Y125-K128 WeakPolarHBondContact O-CB 3.48Å; Y125-K128 PolarHBondContact O-N 3.06Å; Y125-K128 VanDerWaalsContact O-N 3.12Å; L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 3.39Å; K128-L132 HydrophobicContact CG-CD1 4.5Å; K128-L132 WeakPolarHBondContact O-CB 3.29Å; K128-L132 VanDerWaalsContact O-CG 3.27Å; K128-L132 WeakPolarHBondContact O-CG 3.28Å; K128-L132 PolarHBondContact O-N 3.11Å
129	Y	60.6	Low	59.7	Low	91 Å²	91	90 Å²	90	36%	0.357	42%	0.423	S	S	.	.	H	α-helix	trans	-72.4	-44	179.7	-87.1	-69.8	0	0	0	113.7	L42 Y125 L126 I127 F131 L132 S133	L42-Y129 HydrophobicContact CD1-CE1 3.89Å; L42-Y129 HydrophobicContact CD1-CE2 4.41Å; L42-Y129 VanDerWaalsContact CD1-CZ 3.48Å; L42-Y129 WeakPolarHBondContact CD1-OH 3.35Å; L42-Y129 HydrophobicContact CD2-CE2 3.7Å; L42-Y129 WeakPolarHBondContact CD2-OH 3.4Å; L42-Y129 WeakPolarHBondContact CG-OH 3.2Å; Y125-Y129 HydrophobicContact CD1-CE2 4.4Å; Y125-Y129 WeakPolarHBondContact O-CD2 3.34Å; Y125-Y129 PolarHBondContact O-N 3.14Å; L126-Y129 PolarHBondContact O-N 3.32Å; I127-Y129 PolarHBondContact O-N 3.24Å; Y129-F131 PolarHBondContact O-N 3.42Å; Y129-L132 PolarHBondContact O-N 3.29Å; Y129-S133 WeakPolarHBondContact O-CB 3.35Å; Y129-S133 PolarHBondContact O-N 3.32Å
130	K	62.8	Low	60.1	Low	140 Å²	140	93.4 Å²	93.4	61%	0.609	44%	0.436	S	S	*	.	H	α-helix	trans	-58.6	-45	176	-177.5	178.4	177	-176.3	0	109.9	L126 S133 E134	L126-K130 WeakPolarHBondContact O-CB 3.46Å; L126-K130 PolarHBondContact O-N 3.08Å; K130-S133 WeakPolarHBondContact O-CB 3.24Å; K130-S133 PolarHBondContact O-N 2.77Å; K130-E134 WeakPolarHBondContact CE-OE1 3.43Å; K130-E134 WeakPolarHBondContact O-CG 3.45Å; K130-E134 PolarHBondContact O-N 2.65Å
131	F	57	Low	60.7	Low	82 Å²	82	89.5 Å²	89.5	36%	0.36	43%	0.425	S	S	.	.	H	α-helix	trans	-62.2	-45	175.9	-176.3	-108.6	0	0	0	112.8	I20 I127 Y129 S133 E134 I135	I20-F131 HydrophobicContact CD1-CE1 3.97Å; I20-F131 HydrophobicContact CD1-CZ 3.54Å; I20-F131 HydrophobicContact CG1-CE1 3.6Å; I20-F131 HydrophobicContact CG1-CZ 3.74Å; I127-F131 WeakPolarHBondContact O-CB 3.32Å; I127-F131 PolarHBondContact O-N 3.12Å; I127-F131 VanDerWaalsContact O-N 3.09Å; Y129-F131 PolarHBondContact O-N 3.42Å; F131-S133 VanDerWaalsContact C-N 3.34Å; F131-S133 PolarHBondContact O-N 2.96Å; F131-E134 PolarHBondContact O-N 2.88Å; F131-I135 HydrophobicContact CD1-CD1 3.78Å; F131-I135 HydrophobicContact CE1-CD1 3.34Å; F131-I135 HydrophobicContact CE1-CG1 4.46Å; F131-I135 HydrophobicContact CE2-CD1 4.25Å; F131-I135 HydrophobicContact CG-CD1 4.41Å; F131-I135 HydrophobicContact CZ-CD1 3.59Å; F131-I135 HydrophobicContact CZ-CG1 4.38Å; F131-I135 WeakPolarHBondContact O-CG1 3.16Å; F131-I135 PolarHBondContact O-N 3.44Å
132	L	53.3	Low	60.9	Low	37 Å²	37	88.5 Å²	88.5	19%	0.194	42%	0.422	C	S	.	.	H	α-helix	trans	-60.5	-40.9	173.1	-76.4	170.8	0	0	0	112.5	V23 L27 K128 Y129 I135 V136	V23-L132 HydrophobicContact CG1-CD2 3.89Å; L27-L132 HydrophobicContact CD1-CD2 4.2Å; K128-L132 HydrophobicContact CG-CD1 4.5Å; K128-L132 WeakPolarHBondContact O-CB 3.29Å; K128-L132 VanDerWaalsContact O-CG 3.27Å; K128-L132 WeakPolarHBondContact O-CG 3.28Å; K128-L132 PolarHBondContact O-N 3.11Å; Y129-L132 PolarHBondContact O-N 3.29Å; L132-I135 PolarHBondContact O-N 3.21Å; L132-V136 WeakPolarHBondContact O-CB 3.17Å; L132-V136 VanDerWaalsContact O-CG2 3.29Å; L132-V136 WeakPolarHBondContact O-CG2 3.47Å; L132-V136 PolarHBondContact O-N 3.04Å
133	S	59.3	Low	61.3	Low	80 Å²	80	91.6 Å²	91.6	56%	0.559	44%	0.44	S	S	*	.	H	α-helix	trans	-64.4	-42.5	178.1	-171.8	0	0	0	0	111.7	Y129 K130 F131 V136 N137	Y129-S133 WeakPolarHBondContact O-CB 3.35Å; Y129-S133 PolarHBondContact O-N 3.32Å; K130-S133 WeakPolarHBondContact O-CB 3.24Å; K130-S133 PolarHBondContact O-N 2.77Å; F131-S133 VanDerWaalsContact C-N 3.34Å; F131-S133 PolarHBondContact O-N 2.96Å; S133-V136 PolarHBondContact O-N 2.66Å; S133-N137 WeakPolarHBondContact O-CB 3.2Å; S133-N137 PolarHBondContact O-N 2.89Å
134	E	65.2	Low	62.1	Low	96 Å²	96	96.5 Å²	96.5	45%	0.449	46%	0.457	S	S	.	.	H	α-helix	trans	-62.4	-44.5	175.2	-74.5	171.8	-172	0	0	111.6	K130 F131 N137 Q138	K130-E134 WeakPolarHBondContact CE-OE1 3.43Å; K130-E134 WeakPolarHBondContact O-CG 3.45Å; K130-E134 PolarHBondContact O-N 2.65Å; F131-E134 PolarHBondContact O-N 2.88Å; E134-N137 PolarHBondContact O-N 3.29Å; E134-Q138 WeakPolarHBondContact O-CG 3.41Å; E134-Q138 PolarHBondContact O-N 3.47Å
135	I	54.7	Low	63.1	Low	23 Å²	23	95.6 Å²	95.6	12%	0.118	46%	0.457	C	S	.	.	H	α-helix	trans	-60	-48.9	174.4	-71.9	170	0	0	0	111	I20 F131 L132 N137 Q138 F139	I20-I135 HydrophobicContact CG1-CD1 4.41Å; I20-I135 HydrophobicContact CG2-CD1 4.09Å; F131-I135 HydrophobicContact CD1-CD1 3.78Å; F131-I135 HydrophobicContact CE1-CD1 3.34Å; F131-I135 HydrophobicContact CE1-CG1 4.46Å; F131-I135 HydrophobicContact CE2-CD1 4.25Å; F131-I135 HydrophobicContact CG-CD1 4.41Å; F131-I135 HydrophobicContact CZ-CD1 3.59Å; F131-I135 HydrophobicContact CZ-CG1 4.38Å; F131-I135 WeakPolarHBondContact O-CG1 3.16Å; F131-I135 PolarHBondContact O-N 3.44Å; L132-I135 PolarHBondContact O-N 3.21Å; I135-N137 VanDerWaalsContact C-N 3.25Å; I135-N137 PolarHBondContact O-N 2.97Å; I135-Q138 PolarHBondContact O-N 2.83Å; I135-F139 HydrophobicContact CG2-CD2 3.57Å; I135-F139 HydrophobicContact CG2-CE2 3.41Å; I135-F139 VanDerWaalsContact CG2-CE2 3.41Å; I135-F139 VanDerWaalsContact O-CD2 3.26Å; I135-F139 WeakPolarHBondContact O-CD2 3.13Å; I135-F139 PolarHBondContact O-N 3.43Å
136	V	59.7	Low	62.8	Low	74 Å²	74	94.9 Å²	94.9	45%	0.448	48%	0.476	S	S	.	.	H	α-helix	trans	-60.5	-37.7	177.7	169	0	0	0	0	111	L132 S133 F139 K140	L132-V136 WeakPolarHBondContact O-CB 3.17Å; L132-V136 VanDerWaalsContact O-CG2 3.29Å; L132-V136 WeakPolarHBondContact O-CG2 3.47Å; L132-V136 PolarHBondContact O-N 3.04Å; S133-V136 PolarHBondContact O-N 2.66Å; V136-F139 PolarHBondContact O-N 3.18Å; V136-K140 HydrophobicContact CG1-CD 4.3Å; V136-K140 WeakPolarHBondContact O-CB 3.38Å; V136-K140 WeakPolarHBondContact O-CG 3.15Å; V136-K140 PolarHBondContact O-N 3.09Å
137	N	66.3	Low	62.6	Low	93 Å²	93	96.9 Å²	96.9	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-67.6	-40.2	177.1	-160.7	38.3	0	0	0	111.8	S133 E134 I135 K140 I141	S133-N137 WeakPolarHBondContact O-CB 3.2Å; S133-N137 PolarHBondContact O-N 2.89Å; E134-N137 PolarHBondContact O-N 3.29Å; I135-N137 VanDerWaalsContact C-N 3.25Å; I135-N137 PolarHBondContact O-N 2.97Å; N137-K140 PolarHBondContact O-N 3.46Å; N137-I141 WeakPolarHBondContact O-CG1 3.45Å; N137-I141 PolarHBondContact O-N 3.16Å
138	Q	61.4	Low	62.3	Low	126 Å²	126	100.2 Å²	100.2	59%	0.589	51%	0.508	S	S	*	.	H	α-helix	trans	-62.6	-44.4	173.2	-72.7	-176.4	-1.3	0	0	112	E134 I135 K140 I141 Q142	E134-Q138 WeakPolarHBondContact O-CG 3.41Å; E134-Q138 PolarHBondContact O-N 3.47Å; I135-Q138 PolarHBondContact O-N 2.83Å; Q138-K140 VanDerWaalsContact C-N 3.33Å; Q138-K140 PolarHBondContact O-N 3.35Å; Q138-I141 PolarHBondContact O-N 2.68Å; Q138-I141 VanDerWaalsContact O-N 3.16Å; Q138-Q142 WeakPolarHBondContact O-CG 3.26Å; Q138-Q142 PolarHBondContact O-N 3.15Å
139	F	64	Low	62.5	Low	87 Å²	87	100.9 Å²	100.9	38%	0.382	51%	0.514	S	S	.	.	H	α-helix	trans	-60.8	-41.3	174	-82.4	-64.1	0	0	0	112.1	I135 V136 I141 Q142 I143	I135-F139 HydrophobicContact CG2-CD2 3.57Å; I135-F139 HydrophobicContact CG2-CE2 3.41Å; I135-F139 VanDerWaalsContact CG2-CE2 3.41Å; I135-F139 VanDerWaalsContact O-CD2 3.26Å; I135-F139 WeakPolarHBondContact O-CD2 3.13Å; I135-F139 PolarHBondContact O-N 3.43Å; V136-F139 PolarHBondContact O-N 3.18Å; F139-I141 VanDerWaalsContact C-N 3.3Å; F139-I141 PolarHBondContact O-N 3.01Å; F139-Q142 PolarHBondContact O-N 3.36Å; F139-I143 VanDerWaalsContact O-CG1 3.27Å; F139-I143 WeakPolarHBondContact O-CG1 3.19Å; F139-I143 PolarHBondContact O-N 3.19Å
140	K	67	Low	62.6	Low	124 Å²	124	101.4 Å²	101.4	54%	0.539	52%	0.523	S	S	.	.	H	α-helix	trans	-61.2	-37.9	175	-77.3	175.3	179.9	178.5	0	112.2	V136 N137 Q138 K144	V136-K140 HydrophobicContact CG1-CD 4.3Å; V136-K140 WeakPolarHBondContact O-CB 3.38Å; V136-K140 WeakPolarHBondContact O-CG 3.15Å; V136-K140 PolarHBondContact O-N 3.09Å; N137-K140 PolarHBondContact O-N 3.46Å; Q138-K140 VanDerWaalsContact C-N 3.33Å; Q138-K140 PolarHBondContact O-N 3.35Å; K140-K144 WeakPolarHBondContact O-CB 3.41Å; K140-K144 WeakPolarHBondContact O-CG 3.4Å; K140-K144 PolarHBondContact O-N 2.91Å; K140-K144 VanDerWaalsContact O-N 3.11Å
141	I	71.2	Confident	62.6	Low	75 Å²	75	99.3 Å²	99.3	39%	0.385	52%	0.518	S	S	.	.	H	α-helix	trans	-67	-48.2	176	-67.9	163.7	0	0	0	110.2	N137 Q138 F139 I143 K144 E145	N137-I141 WeakPolarHBondContact O-CG1 3.45Å; N137-I141 PolarHBondContact O-N 3.16Å; Q138-I141 PolarHBondContact O-N 2.68Å; Q138-I141 VanDerWaalsContact O-N 3.16Å; F139-I141 VanDerWaalsContact C-N 3.3Å; F139-I141 PolarHBondContact O-N 3.01Å; I141-I143 VanDerWaalsContact C-N 3.34Å; I141-I143 PolarHBondContact O-N 3.42Å; I141-K144 PolarHBondContact O-N 2.9Å; I141-K144 VanDerWaalsContact O-N 3.12Å; I141-E145 HydrophobicContact CG2-CG 4.3Å; I141-E145 WeakPolarHBondContact CG2-OE1 3.47Å; I141-E145 WeakPolarHBondContact O-CG 3.19Å; I141-E145 PolarHBondContact O-N 3.48Å
142	Q	61.2	Low	62.9	Low	78 Å²	78	100.3 Å²	100.3	36%	0.364	53%	0.527	S	S	.	.	H	α-helix	trans	-57.1	-46	178.2	-72.5	176.3	-33	0	0	112.2	Q138 F139 K144 E145 G146 K147	Q138-Q142 WeakPolarHBondContact O-CG 3.26Å; Q138-Q142 PolarHBondContact O-N 3.15Å; F139-Q142 PolarHBondContact O-N 3.36Å; Q142-K144 PolarHBondContact O-N 3.02Å; Q142-E145 PolarHBondContact O-N 2.68Å; Q142-E145 VanDerWaalsContact O-N 3.16Å; Q142-G146 PolarHBondContact O-N 2.71Å; Q142-K147 CarbonylContact C-O 3.59Å; Q142-K147 HydrophobicContact CB-CB 4.46Å; Q142-K147 PolarHBondContact O-N 3.09Å
143	I	68.3	Low	63.5	Low	130 Å²	130	104.3 Å²	104.3	67%	0.667	55%	0.548	S	S	*	.	H	α-helix	trans	-61	-43.6	176.4	-67.2	166.8	0	0	0	111.2	F139 I141 E145 G146	F139-I143 VanDerWaalsContact O-CG1 3.27Å; F139-I143 WeakPolarHBondContact O-CG1 3.19Å; F139-I143 PolarHBondContact O-N 3.19Å; I141-I143 VanDerWaalsContact C-N 3.34Å; I141-I143 PolarHBondContact O-N 3.42Å; I143-E145 VanDerWaalsContact C-N 3.27Å; I143-E145 PolarHBondContact O-N 2.93Å; I143-G146 PolarHBondContact O-N 2.54Å
144	K	75.2	Confident	63.8	Low	185 Å²	185	105.9 Å²	105.9	80%	0.804	55%	0.547	S	S	*	.	H	α-helix	trans	-64.9	-31.1	177	-78.1	-179.1	179.2	-173.8	0	112.9	K140 I141 Q142 G146	K140-K144 WeakPolarHBondContact O-CB 3.41Å; K140-K144 WeakPolarHBondContact O-CG 3.4Å; K140-K144 PolarHBondContact O-N 2.91Å; K140-K144 VanDerWaalsContact O-N 3.11Å; I141-K144 PolarHBondContact O-N 2.9Å; I141-K144 VanDerWaalsContact O-N 3.12Å; Q142-K144 PolarHBondContact O-N 3.02Å; K144-G146 VanDerWaalsContact C-N 3.27Å; K144-G146 PolarHBondContact O-N 3.07Å
145	E	82.5	Confident	63.7	Low	107 Å²	107	106.6 Å²	106.6	50%	0.5	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	1.6	178.6	-69.8	178.7	178	0	0	113.3	I141 Q142 I143 K147	I141-E145 HydrophobicContact CG2-CG 4.3Å; I141-E145 WeakPolarHBondContact CG2-OE1 3.47Å; I141-E145 WeakPolarHBondContact O-CG 3.19Å; I141-E145 PolarHBondContact O-N 3.48Å; Q142-E145 PolarHBondContact O-N 2.68Å; Q142-E145 VanDerWaalsContact O-N 3.16Å; I143-E145 VanDerWaalsContact C-N 3.27Å; I143-E145 PolarHBondContact O-N 2.93Å; E145-K147 HydrophobicContact CB-CD 4.13Å; E145-K147 HydrophobicContact CB-CG 4.1Å; E145-K147 PolarHBondContact O-N 3.06Å; E145-K147 WeakPolarHBondContact OE2-CD 3.31Å; E145-K147 VanDerWaalsContact OE2-CE 3.23Å; E145-K147 WeakPolarHBondContact OE2-CE 3.35Å; E145-K147 IonicContact OE2-NZ 2.68Å; E145-K147 PolarHBondContact OE2-NZ 3.39Å
146	G	53.7	Low	64.4	Low	71 Å²	71	113 Å²	113	73%	0.732	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.7	16.6	-176.6	0	0	0	0	0	113.3	Q142 I143 K144	Q142-G146 PolarHBondContact O-N 2.71Å; I143-G146 PolarHBondContact O-N 2.54Å; K144-G146 VanDerWaalsContact C-N 3.27Å; K144-G146 PolarHBondContact O-N 3.07Å
147	K	54.9	Low	64.8	Low	123 Å²	123	116.3 Å²	116.3	54%	0.535	60%	0.6	S	S	.	*			trans	-85.9	122.3	173.9	-64.9	175.7	-177.1	164.4	0	107.4	Q142 E145	Q142-K147 CarbonylContact C-O 3.59Å; Q142-K147 HydrophobicContact CB-CB 4.46Å; Q142-K147 PolarHBondContact O-N 3.09Å; E145-K147 HydrophobicContact CB-CD 4.13Å; E145-K147 HydrophobicContact CB-CG 4.1Å; E145-K147 PolarHBondContact O-N 3.06Å; E145-K147 WeakPolarHBondContact OE2-CD 3.31Å; E145-K147 VanDerWaalsContact OE2-CE 3.23Å; E145-K147 WeakPolarHBondContact OE2-CE 3.35Å; E145-K147 IonicContact OE2-NZ 2.68Å; E145-K147 PolarHBondContact OE2-NZ 3.39Å
148	T	51.7	Low	64.7	Low	196 Å²	196	118.4 Å²	118.4	100%	1.202	61%	0.609	S	S	*	*			trans	-61.8	0	170	45.6	0	0	0	0	111.6

Retrieved 148 of 148 residues in 61 ms (Link to these results)

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