A0A077ZA99_TRITR Loading...

Secreted from muscle stage larvae 1

AlphaFold DB , UniProt , Accession A0A077ZA99, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 251 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	30.6	Very low	31	Very low	162 Å²	162	63 Å²	63	80%	0.798	35%	0.349	S	S	*	.				0	-31.3	0	-113	173.6	79	0	0	113.2
2	M	25.7	Very low	31.8	Very low	61 Å²	61	60.3 Å²	60.3	30%	0.3	33%	0.333	S	S	.	.	H	α-helix	trans	-71.2	-31.1	175	-75.9	175.3	-173.5	0	0	117.4	L4 L5 H6 Y131	M2-L4 VanDerWaalsContact C-N 3.28Å; M2-L4 PolarHBondContact O-N 3.24Å; M2-L5 PolarHBondContact O-N 3.37Å; M2-L5 VanDerWaalsContact O-N 3.14Å; M2-H6 PolarHBondContact O-N 3.42Å; M2-H6 PolarHBondContact O-ND1 3.43Å; M2-Y131 HydrophobicContact CE-CE1 4.34Å; M2-Y131 HydrophobicContact SD-CD1 4.44Å; M2-Y131 HydrophobicContact SD-CE1 3.6Å
3	P	28.5	Very low	32.5	Very low	78 Å²	78	60.2 Å²	60.2	51%	0.506	34%	0.339	S	S	.	.	H	α-helix	trans	-65.3	-32.7	-177.3	14.2	-20.1	0	0	0	112.7	H6 A7	P3-H6 PolarHBondContact O-N 2.76Å; P3-A7 WeakPolarHBondContact O-CB 3.44Å; P3-A7 PolarHBondContact O-N 3.04Å
4	L	28	Very low	33.4	Very low	38 Å²	38	56.6 Å²	56.6	20%	0.199	32%	0.321	C	S	.	.	H	α-helix	trans	-70.3	-34.3	174.2	-81.3	155.6	0	0	0	112.8	M2 H6 S8 V251	M2-L4 VanDerWaalsContact C-N 3.28Å; M2-L4 PolarHBondContact O-N 3.24Å; L4-H6 VanDerWaalsContact C-N 3.35Å; L4-S8 VanDerWaalsContact O-CB 3.24Å; L4-S8 WeakPolarHBondContact O-CB 3.12Å; L4-S8 PolarHBondContact O-N 3.25Å; L4-S8 PolarHBondContact O-OG 3.3Å; L4-V251 HydrophobicContact CD2-CG2 4.26Å
5	L	27.6	Very low	34.5	Very low	79 Å²	79	53.4 Å²	53.4	41%	0.414	30%	0.302	S	S	.	.	H	α-helix	trans	-65	-41.2	172.2	-90	157	0	0	0	110.7	M2 V9	M2-L5 PolarHBondContact O-N 3.37Å; M2-L5 VanDerWaalsContact O-N 3.14Å; L5-V9 VanDerWaalsContact O-CB 3.29Å; L5-V9 WeakPolarHBondContact O-CB 3.5Å; L5-V9 WeakPolarHBondContact O-CG2 3.3Å; L5-V9 PolarHBondContact O-N 3.43Å
6	H	28.9	Very low	35	Very low	59 Å²	59	54.2 Å²	54.2	27%	0.273	30%	0.304	S	S	.	.	H	α-helix	trans	-66.4	-46.7	174.1	-77	118.8	0	0	0	112.3	M2 P3 L4 S8 V9 L10 L42	M2-H6 PolarHBondContact O-N 3.42Å; M2-H6 PolarHBondContact O-ND1 3.43Å; P3-H6 PolarHBondContact O-N 2.76Å; L4-H6 VanDerWaalsContact C-N 3.35Å; H6-S8 VanDerWaalsContact C-N 3.32Å; H6-S8 PolarHBondContact O-N 3.46Å; H6-V9 PolarHBondContact O-N 3.43Å; H6-L10 HydrophobicContact CB-CD1 4.47Å; H6-L10 WeakPolarHBondContact O-CB 3.19Å; H6-L10 WeakPolarHBondContact O-CG 3.45Å; H6-L10 PolarHBondContact O-N 2.8Å; H6-L42 VanDerWaalsContact NE2-CD1 3.34Å; H6-L42 WeakPolarHBondContact NE2-CD1 3.41Å
7	A	29.5	Very low	35.8	Very low	42 Å²	42	55.1 Å²	55.1	35%	0.347	32%	0.32	S	S	.	.	H	α-helix	trans	-59.1	-45.1	176.2	0	0	0	0	0	111	P3 L10 I11	P3-A7 WeakPolarHBondContact O-CB 3.44Å; P3-A7 PolarHBondContact O-N 3.04Å; A7-L10 PolarHBondContact O-N 3.12Å; A7-I11 HydrophobicContact CB-CD1 4.5Å; A7-I11 WeakPolarHBondContact O-CB 3.15Å; A7-I11 VanDerWaalsContact O-CD1 3.31Å; A7-I11 WeakPolarHBondContact O-CD1 3.28Å; A7-I11 WeakPolarHBondContact O-CG1 3.37Å; A7-I11 PolarHBondContact O-N 3.04Å
8	S	33.5	Very low	36.5	Very low	37 Å²	37	56.7 Å²	56.7	26%	0.259	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-47.7	176.6	-55.2	0	0	0	0	111.7	L4 H6 L12	L4-S8 VanDerWaalsContact O-CB 3.24Å; L4-S8 WeakPolarHBondContact O-CB 3.12Å; L4-S8 PolarHBondContact O-N 3.25Å; L4-S8 PolarHBondContact O-OG 3.3Å; H6-S8 VanDerWaalsContact C-N 3.32Å; H6-S8 PolarHBondContact O-N 3.46Å; S8-L12 WeakPolarHBondContact O-CB 3.34Å; S8-L12 VanDerWaalsContact O-CD1 3.24Å; S8-L12 WeakPolarHBondContact O-CD1 3.47Å; S8-L12 WeakPolarHBondContact O-CG 3.35Å; S8-L12 PolarHBondContact O-N 2.68Å
9	V	33.2	Very low	37.1	Very low	32 Å²	32	54.2 Å²	54.2	19%	0.194	32%	0.317	C	S	.	.	H	α-helix	trans	-67.7	-38.8	-179.4	170.9	0	0	0	0	111.4	L5 H6 L12 S13 F34	L5-V9 VanDerWaalsContact O-CB 3.29Å; L5-V9 WeakPolarHBondContact O-CB 3.5Å; L5-V9 WeakPolarHBondContact O-CG2 3.3Å; L5-V9 PolarHBondContact O-N 3.43Å; H6-V9 PolarHBondContact O-N 3.43Å; V9-L12 CarbonylContact O-C 3.56Å; V9-L12 PolarHBondContact O-N 3.43Å; V9-S13 WeakPolarHBondContact O-CB 3Å; V9-S13 PolarHBondContact O-N 3.16Å; V9-S13 PolarHBondContact O-OG 2.79Å; V9-S13 VanDerWaalsContact O-OG 3.06Å; V9-F34 HydrophobicContact CG2-CE1 4.13Å
10	L	34.9	Very low	38.1	Very low	62 Å²	62	59.5 Å²	59.5	33%	0.325	35%	0.345	S	S	.	.	H	α-helix	trans	-69.7	-45.6	178.5	-73.1	169.1	0	0	0	111.5	H6 A7 L12 S13 A14 P119	H6-L10 HydrophobicContact CB-CD1 4.47Å; H6-L10 WeakPolarHBondContact O-CB 3.19Å; H6-L10 WeakPolarHBondContact O-CG 3.45Å; H6-L10 PolarHBondContact O-N 2.8Å; A7-L10 PolarHBondContact O-N 3.12Å; L10-L12 PolarHBondContact O-N 2.83Å; L10-S13 WeakPolarHBondContact CA-OG 3.44Å; L10-S13 PolarHBondContact O-N 3.45Å; L10-S13 PolarHBondContact O-OG 3.07Å; L10-A14 WeakPolarHBondContact O-CB 3.47Å; L10-A14 PolarHBondContact O-N 3.28Å; L10-P119 HydrophobicContact CD2-CG 3.71Å
11	I	40.2	Very low	39.4	Very low	43 Å²	43	59 Å²	59	22%	0.221	34%	0.339	C	S	.	.	H	α-helix	trans	-60.8	-35.2	173.6	-68.7	165.8	0	0	0	110.4	A7 A14 Y15 F115 L204	A7-I11 HydrophobicContact CB-CD1 4.5Å; A7-I11 WeakPolarHBondContact O-CB 3.15Å; A7-I11 VanDerWaalsContact O-CD1 3.31Å; A7-I11 WeakPolarHBondContact O-CD1 3.28Å; A7-I11 WeakPolarHBondContact O-CG1 3.37Å; A7-I11 PolarHBondContact O-N 3.04Å; I11-A14 WeakPolarHBondContact O-CB 3.46Å; I11-A14 PolarHBondContact O-N 2.79Å; I11-Y15 WeakPolarHBondContact O-CD2 3.23Å; I11-Y15 WeakPolarHBondContact O-CE2 3.28Å; I11-F115 HydrophobicContact CG2-CD1 3.94Å; I11-F115 HydrophobicContact CG2-CE1 3.41Å; I11-F115 VanDerWaalsContact CG2-CE1 3.41Å; I11-F115 HydrophobicContact CG2-CZ 4.3Å; I11-L204 HydrophobicContact CG2-CD1 3.93Å; I11-L204 HydrophobicContact CG2-CD2 3.59Å; I11-L204 HydrophobicContact CG2-CG 4.43Å
12	L	40.8	Very low	41.4	Very low	31 Å²	31	56.2 Å²	56.2	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-79.4	-33.2	179.1	-79.5	167.1	0	0	0	114.2	S8 V9 L10 A14 Y15 F31 F197	S8-L12 WeakPolarHBondContact O-CB 3.34Å; S8-L12 VanDerWaalsContact O-CD1 3.24Å; S8-L12 WeakPolarHBondContact O-CD1 3.47Å; S8-L12 WeakPolarHBondContact O-CG 3.35Å; S8-L12 PolarHBondContact O-N 2.68Å; V9-L12 CarbonylContact O-C 3.56Å; V9-L12 PolarHBondContact O-N 3.43Å; L10-L12 PolarHBondContact O-N 2.83Å; L12-A14 PolarHBondContact O-N 3.42Å; L12-Y15 HydrophobicContact CB-CE2 4.49Å; L12-Y15 HydrophobicContact CD2-CD2 4.31Å; L12-Y15 HydrophobicContact CD2-CE2 3.68Å; L12-Y15 HydrophobicContact CG-CE2 4.31Å; L12-Y15 WeakPolarHBondContact O-CD2 3.41Å; L12-F31 HydrophobicContact CB-CD1 4.06Å; L12-F31 HydrophobicContact CB-CE1 3.41Å; L12-F31 VanDerWaalsContact CB-CE1 3.41Å; L12-F31 HydrophobicContact CB-CZ 3.81Å; L12-F31 HydrophobicContact CD1-CE1 4.31Å; L12-F31 HydrophobicContact CD2-CE1 3.7Å; L12-F31 HydrophobicContact CD2-CZ 3.54Å; L12-F31 HydrophobicContact CG-CE1 3.99Å; L12-F31 HydrophobicContact CG-CZ 4.23Å; L12-F31 WeakPolarHBondContact O-CD2 3.43Å; L12-F31 WeakPolarHBondContact O-CE2 3.33Å; L12-F31 VanDerWaalsContact O-CZ 3.3Å; L12-F31 WeakPolarHBondContact O-CZ 3.44Å; L12-F197 HydrophobicContact CD2-CE2 3.89Å; L12-F197 HydrophobicContact CD2-CZ 4.43Å
13	S	41	Very low	44	Very low	58 Å²	58	53.8 Å²	53.8	41%	0.406	32%	0.316	S	S	.	.	H	α-helix	trans	-70.3	-24.5	169.3	52.1	0	0	0	0	112.2	V9 L10 Y15	V9-S13 WeakPolarHBondContact O-CB 3Å; V9-S13 PolarHBondContact O-N 3.16Å; V9-S13 PolarHBondContact O-OG 2.79Å; V9-S13 VanDerWaalsContact O-OG 3.06Å; L10-S13 WeakPolarHBondContact CA-OG 3.44Å; L10-S13 PolarHBondContact O-N 3.45Å; L10-S13 PolarHBondContact O-OG 3.07Å; S13-Y15 PolarHBondContact O-N 2.92Å
14	A	44.6	Very low	46.1	Very low	11 Å²	11	53 Å²	53	9%	0.091	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-72.1	-10.6	-176.8	0	0	0	0	0	114.1	L10 I11 L12 L16 G116	L10-A14 WeakPolarHBondContact O-CB 3.47Å; L10-A14 PolarHBondContact O-N 3.28Å; I11-A14 WeakPolarHBondContact O-CB 3.46Å; I11-A14 PolarHBondContact O-N 2.79Å; L12-A14 PolarHBondContact O-N 3.42Å; A14-L16 PolarHBondContact O-N 2.04Å; A14-L16 VanDerWaalsContact O-N 3.07Å; A14-G116 VanDerWaalsContact O-CA 3.28Å; A14-G116 WeakPolarHBondContact O-CA 3.03Å; A14-G116 PolarHBondContact O-N 2.88Å
15	Y	50.1	Low	48.6	Very low	8 Å²	8	59.3 Å²	59.3	3%	0.031	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-59.7	-21.2	179.5	-79.1	-98.8	0	0	0	114.1	I11 L12 S13 F21 F31 F113 T200	I11-Y15 WeakPolarHBondContact O-CD2 3.23Å; I11-Y15 WeakPolarHBondContact O-CE2 3.28Å; L12-Y15 HydrophobicContact CB-CE2 4.49Å; L12-Y15 HydrophobicContact CD2-CD2 4.31Å; L12-Y15 HydrophobicContact CD2-CE2 3.68Å; L12-Y15 HydrophobicContact CG-CE2 4.31Å; L12-Y15 WeakPolarHBondContact O-CD2 3.41Å; S13-Y15 PolarHBondContact O-N 2.92Å; Y15-F21 HydrophobicContact CD1-CZ 4.2Å; Y15-F21 WeakPolarHBondContact O-CE1 3.46Å; Y15-F31 HydrophobicContact CD2-CE2 4.42Å; Y15-F31 HydrophobicContact CD2-CZ 4.47Å; Y15-F113 AromaticContact CD1-CE2 3.86Å; Y15-F113 HydrophobicContact CD1-CE2 3.86Å; Y15-F113 HydrophobicContact CE1-CD2 4.27Å; Y15-F113 AromaticContact CE1-CE2 3.42Å; Y15-F113 HydrophobicContact CE1-CE2 3.42Å; Y15-F113 VanDerWaalsContact CE1-CE2 3.42Å; Y15-F113 HydrophobicContact CE1-CZ 4.28Å; Y15-F113 AromaticContact CZ-CE2 3.95Å; Y15-T200 HydrophobicContact CD1-CG2 4.38Å; Y15-T200 HydrophobicContact CE1-CG2 3.18Å; Y15-T200 WeakPolarHBondContact OH-CG2 3.34Å
16	L	43.7	Very low	51.3	Low	66 Å²	66	58.7 Å²	58.7	35%	0.346	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-91.6	-9.8	-162.6	-67	168.9	0	0	0	116	A14 K24	A14-L16 PolarHBondContact O-N 2.04Å; A14-L16 VanDerWaalsContact O-N 3.07Å; L16-K24 HydrophobicContact CD2-CG 3.72Å; L16-K24 WeakPolarHBondContact CD2-O 3.47Å; L16-K24 VanDerWaalsContact O-CE 3.28Å; L16-K24 WeakPolarHBondContact O-CE 3.37Å; L16-K24 PolarHBondContact O-NZ 3.33Å
17	A	48	Very low	53.7	Low	69 Å²	69	56 Å²	56	57%	0.57	32%	0.315	S	S	*	.	S	Bend	trans	-80.9	-33.3	-161.9	0	0	0	0	0	115.7
18	T	49.1	Very low	56	Low	85 Å²	85	54.6 Å²	54.6	52%	0.521	31%	0.305	S	S	.	.	S	Bend	trans	-144.2	-19.1	-169	52.3	0	0	0	0	117.1	Q114	T18-Q114 WeakPolarHBondContact OG1-CB 2.86Å; T18-Q114 PolarHBondContact OG1-OE1 2.81Å
19	A	47.6	Very low	58.3	Low	8 Å²	8	56.4 Å²	56.4	7%	0.066	31%	0.314	C	S	.	.			trans	-89.5	132.9	177.3	0	0	0	0	0	110.9	F21 K24 G112	A19-F21 HydrophobicContact CB-CB 4.46Å; A19-F21 HydrophobicContact CB-CD1 4.1Å; A19-F21 PolarHBondContact O-N 3.41Å; A19-K24 PolarHBondContact O-NZ 2.95Å; A19-G112 WeakPolarHBondContact CB-O 3.24Å
20	D	57.1	Low	60.6	Low	161 Å²	161	55 Å²	55	86%	0.861	31%	0.306	S	S	*	.			trans	-85.7	96.1	159.2	-158.4	14.3	0	0	0	106
21	F	65.5	Low	62.7	Low	50 Å²	50	52.8 Å²	52.8	22%	0.219	29%	0.293	C	S	.	.			trans	-121.8	150.6	-179.1	75.6	-83	0	0	0	108.9	Y15 A19 C23 K24 L27	Y15-F21 HydrophobicContact CD1-CZ 4.2Å; Y15-F21 WeakPolarHBondContact O-CE1 3.46Å; A19-F21 HydrophobicContact CB-CB 4.46Å; A19-F21 HydrophobicContact CB-CD1 4.1Å; A19-F21 PolarHBondContact O-N 3.41Å; F21-C23 PolarHBondContact O-N 3.4Å; F21-K24 HydrophobicContact CD1-CB 4.14Å; F21-K24 HydrophobicContact CD1-CG 4.43Å; F21-K24 HydrophobicContact CE1-CB 3.87Å; F21-K24 HydrophobicContact CE1-CG 3.97Å; F21-K24 HydrophobicContact CZ-CB 4.16Å; F21-K24 WeakPolarHBondContact O-CB 2.99Å; F21-K24 PolarHBondContact O-N 2.97Å; F21-K24 VanDerWaalsContact O-N 3.16Å; F21-L27 HydrophobicContact CE2-CD1 3.67Å; F21-L27 HydrophobicContact CZ-CD1 3.95Å
22	D	72.8	Confident	64.5	Low	102 Å²	102	57.6 Å²	57.6	55%	0.545	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	136.4	178.5	-161.1	-1.4	0	0	0	110.2	H192	D22-H192 VanDerWaalsContact CG-NE2 3.32Å; D22-H192 IonicContact OD1-NE2 3.55Å; D22-H192 IonicContact OD2-CD2 3.29Å; D22-H192 IonicContact OD2-CE1 3.43Å; D22-H192 PolarHBondContact OD2-CE1 2.84Å; D22-H192 IonicContact OD2-NE2 2.68Å; D22-H192 PolarHBondContact OD2-NE2 3.45Å
23	C	78.5	Confident	66.5	Low	11 Å²	11	56.9 Å²	56.9	7%	0.074	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	8.6	-175.4	-57.8	0	0	0	0	118.5	F21 E25 E26 L27 H192 C193	F21-C23 PolarHBondContact O-N 3.4Å; C23-E25 PolarHBondContact O-N 3.47Å; C23-E26 PolarHBondContact O-N 3.41Å; C23-L27 HydrophobicContact CB-CD1 4.47Å; C23-L27 HydrophobicContact CB-CG 4.18Å; C23-L27 WeakPolarHBondContact O-CB 3.28Å; C23-L27 WeakPolarHBondContact O-CG 3.2Å; C23-L27 PolarHBondContact O-N 3.16Å; C23-H192 VanDerWaalsContact SG-CD2 3.58Å; C23-C193 VanDerWaalsContact CA-SG 3.58Å; C23-C193 HydrophobicContact CB-CB 3.5Å; C23-C193 WeakPolarHBondContact CB-SG 3.17Å; C23-C193 WeakPolarHBondContact SG-CA 3.35Å; C23-C193 WeakPolarHBondContact SG-CB 3.31Å; C23-C193 CovalentContact SG-SG 2.02Å; C23-C193 PolarHBondContact SG-SG 3.42Å
24	K	74	Confident	68.4	Low	61 Å²	61	55.1 Å²	55.1	27%	0.265	30%	0.297	S	S	.	.	H	α-helix	trans	-48.5	-51.2	179.3	-178.2	-179.7	-176.2	164.9	0	114	L16 A19 F21 G28	L16-K24 HydrophobicContact CD2-CG 3.72Å; L16-K24 WeakPolarHBondContact CD2-O 3.47Å; L16-K24 VanDerWaalsContact O-CE 3.28Å; L16-K24 WeakPolarHBondContact O-CE 3.37Å; L16-K24 PolarHBondContact O-NZ 3.33Å; A19-K24 PolarHBondContact O-NZ 2.95Å; F21-K24 HydrophobicContact CD1-CB 4.14Å; F21-K24 HydrophobicContact CD1-CG 4.43Å; F21-K24 HydrophobicContact CE1-CB 3.87Å; F21-K24 HydrophobicContact CE1-CG 3.97Å; F21-K24 HydrophobicContact CZ-CB 4.16Å; F21-K24 WeakPolarHBondContact O-CB 2.99Å; F21-K24 PolarHBondContact O-N 2.97Å; F21-K24 VanDerWaalsContact O-N 3.16Å; K24-G28 PolarHBondContact O-N 3Å
25	E	79.9	Confident	69.8	Low	170 Å²	170	57 Å²	57	79%	0.794	31%	0.31	S	S	*	.	H	α-helix	trans	-64.5	-47.9	-177.5	-65.9	-173.2	167.2	0	0	111.9	C23 L27 G28 V29	C23-E25 PolarHBondContact O-N 3.47Å; E25-L27 PolarHBondContact O-N 3.42Å; E25-G28 WeakPolarHBondContact O-CA 3.17Å; E25-G28 PolarHBondContact O-N 2.91Å; E25-G28 VanDerWaalsContact O-N 3.13Å; E25-V29 PolarHBondContact O-N 3.38Å
26	E	84.2	Confident	70.9	Confident	66 Å²	66	59.2 Å²	59.2	31%	0.308	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-44.8	-179.9	-66.9	-156.4	-128.5	0	0	111.9	C23 G28 V29 Y30 I189 S190 C193	C23-E26 PolarHBondContact O-N 3.41Å; E26-G28 VanDerWaalsContact C-N 3.28Å; E26-G28 PolarHBondContact O-N 3.36Å; E26-V29 WeakPolarHBondContact O-CB 3.33Å; E26-V29 PolarHBondContact O-N 3.08Å; E26-Y30 PolarHBondContact O-N 3.48Å; E26-I189 HydrophobicContact CB-CB 4.13Å; E26-I189 HydrophobicContact CB-CG2 3.88Å; E26-I189 WeakPolarHBondContact O-CG2 3.48Å; E26-I189 WeakPolarHBondContact OE2-CA 3.28Å; E26-I189 WeakPolarHBondContact OE2-CB 3.45Å; E26-S190 WeakPolarHBondContact OE1-CB 3.45Å; E26-S190 PolarHBondContact OE1-OG 2.7Å; E26-S190 WeakPolarHBondContact OE2-CB 3.49Å; E26-S190 PolarHBondContact OE2-N 3.08Å; E26-S190 PolarHBondContact OE2-OG 3.19Å; E26-C193 HydrophobicContact CB-CB 4.33Å; E26-C193 VanDerWaalsContact CD-SG 3.57Å; E26-C193 PolarHBondContact OE1-SG 2.86Å
27	L	80.3	Confident	72.3	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-36	174.6	-67.1	-172.1	0	0	0	111.5	F21 C23 E25 V29 Y30 F31 I189 F197	F21-L27 HydrophobicContact CE2-CD1 3.67Å; F21-L27 HydrophobicContact CZ-CD1 3.95Å; C23-L27 HydrophobicContact CB-CD1 4.47Å; C23-L27 HydrophobicContact CB-CG 4.18Å; C23-L27 WeakPolarHBondContact O-CB 3.28Å; C23-L27 WeakPolarHBondContact O-CG 3.2Å; C23-L27 PolarHBondContact O-N 3.16Å; E25-L27 PolarHBondContact O-N 3.42Å; L27-V29 VanDerWaalsContact C-N 3.35Å; L27-V29 PolarHBondContact O-N 2.71Å; L27-Y30 WeakPolarHBondContact O-CB 3.43Å; L27-Y30 PolarHBondContact O-N 2.97Å; L27-F31 HydrophobicContact CB-CD2 4.26Å; L27-F31 HydrophobicContact CB-CE2 3.89Å; L27-F31 WeakPolarHBondContact O-CD2 3.17Å; L27-F31 WeakPolarHBondContact O-CG 3.45Å; L27-F31 PolarHBondContact O-N 3.36Å; L27-I189 HydrophobicContact CD2-CD1 3.8Å; L27-F197 HydrophobicContact CD2-CB 4.09Å; L27-F197 HydrophobicContact CD2-CD2 4.02Å
28	G	77.3	Confident	73.4	Confident	12 Å²	12	56.6 Å²	56.6	12%	0.124	30%	0.302	C	S	.	.	H	α-helix	trans	-57.4	-45.8	171.4	0	0	0	0	0	112.8	K24 E25 E26 Y30 F31 Q32	K24-G28 PolarHBondContact O-N 3Å; E25-G28 WeakPolarHBondContact O-CA 3.17Å; E25-G28 PolarHBondContact O-N 2.91Å; E25-G28 VanDerWaalsContact O-N 3.13Å; E26-G28 VanDerWaalsContact C-N 3.28Å; E26-G28 PolarHBondContact O-N 3.36Å; G28-Y30 PolarHBondContact O-N 3.31Å; G28-F31 PolarHBondContact O-N 3.35Å; G28-Q32 WeakPolarHBondContact O-CB 3.22Å; G28-Q32 PolarHBondContact O-N 2.87Å
29	V	81.5	Confident	74.2	Confident	76 Å²	76	58.5 Å²	58.5	46%	0.461	30%	0.303	S	S	.	.	H	α-helix	trans	-61.1	-44.3	174.4	173.7	0	0	0	0	111.3	E25 E26 L27 C33	E25-V29 PolarHBondContact O-N 3.38Å; E26-V29 WeakPolarHBondContact O-CB 3.33Å; E26-V29 PolarHBondContact O-N 3.08Å; L27-V29 VanDerWaalsContact C-N 3.35Å; L27-V29 PolarHBondContact O-N 2.71Å; V29-C33 WeakPolarHBondContact O-CB 3.37Å; V29-C33 PolarHBondContact O-N 2.88Å
30	Y	82.4	Confident	75.2	Confident	3 Å²	3	63.4 Å²	63.4	1%	0.012	33%	0.328	C	S	.	.	H	α-helix	trans	-58.9	-49.3	175.7	164.2	-108.2	0	0	0	111.9	E26 L27 G28 C33 F34 R182 C185 F186 F197	E26-Y30 PolarHBondContact O-N 3.48Å; L27-Y30 WeakPolarHBondContact O-CB 3.43Å; L27-Y30 PolarHBondContact O-N 2.97Å; G28-Y30 PolarHBondContact O-N 3.31Å; Y30-C33 WeakPolarHBondContact O-CB 3.4Å; Y30-C33 PolarHBondContact O-N 3.44Å; Y30-F34 HydrophobicContact CE2-CB 4.44Å; Y30-F34 WeakPolarHBondContact O-CB 3.15Å; Y30-F34 PolarHBondContact O-N 3.26Å; Y30-R182 HydrophobicContact CE2-CG 4.4Å; Y30-R182 WeakPolarHBondContact OH-CG 3.13Å; Y30-R182 PolarHBondContact OH-NE 2.8Å; Y30-C185 HydrophobicContact CD2-CB 3.76Å; Y30-C185 HydrophobicContact CE2-CB 4.05Å; Y30-F186 HydrophobicContact CD2-CB 4.05Å; Y30-F186 HydrophobicContact CD2-CD2 4.02Å; Y30-F186 HydrophobicContact CE2-CB 3.78Å; Y30-F186 AromaticContact CE2-CD2 3.85Å; Y30-F186 HydrophobicContact CE2-CD2 3.85Å; Y30-F186 HydrophobicContact CE2-CG 4.31Å; Y30-F186 HydrophobicContact CG-CD2 4.46Å; Y30-F197 HydrophobicContact CD1-CE2 4.26Å; Y30-F197 HydrophobicContact CE1-CD2 4.32Å; Y30-F197 AromaticContact CE1-CE2 3.6Å; Y30-F197 HydrophobicContact CE1-CE2 3.6Å; Y30-F197 HydrophobicContact CE1-CZ 4.04Å
31	F	78.7	Confident	75.6	Confident	15 Å²	15	57.6 Å²	57.6	7%	0.066	30%	0.295	C	S	.	.	H	α-helix	trans	-69.1	-38.6	-177.9	-68	-51.7	0	0	0	112.8	L12 Y15 L27 G28 F34 S35 F197	L12-F31 HydrophobicContact CB-CD1 4.06Å; L12-F31 HydrophobicContact CB-CE1 3.41Å; L12-F31 VanDerWaalsContact CB-CE1 3.41Å; L12-F31 HydrophobicContact CB-CZ 3.81Å; L12-F31 HydrophobicContact CD1-CE1 4.31Å; L12-F31 HydrophobicContact CD2-CE1 3.7Å; L12-F31 HydrophobicContact CD2-CZ 3.54Å; L12-F31 HydrophobicContact CG-CE1 3.99Å; L12-F31 HydrophobicContact CG-CZ 4.23Å; L12-F31 WeakPolarHBondContact O-CD2 3.43Å; L12-F31 WeakPolarHBondContact O-CE2 3.33Å; L12-F31 VanDerWaalsContact O-CZ 3.3Å; L12-F31 WeakPolarHBondContact O-CZ 3.44Å; Y15-F31 HydrophobicContact CD2-CE2 4.42Å; Y15-F31 HydrophobicContact CD2-CZ 4.47Å; L27-F31 HydrophobicContact CB-CD2 4.26Å; L27-F31 HydrophobicContact CB-CE2 3.89Å; L27-F31 WeakPolarHBondContact O-CD2 3.17Å; L27-F31 WeakPolarHBondContact O-CG 3.45Å; L27-F31 PolarHBondContact O-N 3.36Å; G28-F31 PolarHBondContact O-N 3.35Å; F31-F34 PolarHBondContact O-N 3.45Å; F31-S35 WeakPolarHBondContact O-CB 3.46Å; F31-S35 PolarHBondContact O-N 2.87Å; F31-S35 PolarHBondContact O-OG 2.02Å; F31-F197 HydrophobicContact CE1-CE2 4.12Å; F31-F197 HydrophobicContact CZ-CD2 4.41Å; F31-F197 HydrophobicContact CZ-CE2 4.02Å
32	Q	77.5	Confident	75.4	Confident	143 Å²	143	57.5 Å²	57.5	67%	0.668	30%	0.297	S	S	*	.	H	α-helix	trans	-64.1	-43.4	174.4	-171.8	177.8	6.7	0	0	111.1	G28 S35 S36	G28-Q32 WeakPolarHBondContact O-CB 3.22Å; G28-Q32 PolarHBondContact O-N 2.87Å; Q32-S35 PolarHBondContact O-OG 3.27Å; Q32-S36 PolarHBondContact O-N 3.3Å; Q32-S36 PolarHBondContact O-OG 3.15Å
33	C	83	Confident	74.9	Confident	17 Å²	17	56.5 Å²	56.5	12%	0.115	30%	0.298	C	S	.	.	H	α-helix	trans	-58.9	-52.9	173.9	179	0	0	0	0	111	V29 Y30 S36 H37 C185	V29-C33 WeakPolarHBondContact O-CB 3.37Å; V29-C33 PolarHBondContact O-N 2.88Å; Y30-C33 WeakPolarHBondContact O-CB 3.4Å; Y30-C33 PolarHBondContact O-N 3.44Å; C33-S36 PolarHBondContact O-OG 3.45Å; C33-H37 PolarHBondContact O-CD2 2.93Å; C33-H37 VanDerWaalsContact O-CD2 3.22Å; C33-C185 HydrophobicContact CB-CB 3.66Å; C33-C185 WeakPolarHBondContact CB-SG 3.38Å; C33-C185 VanDerWaalsContact SG-CA 3.52Å; C33-C185 WeakPolarHBondContact SG-CB 3.38Å; C33-C185 CovalentContact SG-SG 2.05Å; C33-C185 PolarHBondContact SG-SG 3.05Å
34	F	81.4	Confident	74.2	Confident	20 Å²	20	60.7 Å²	60.7	9%	0.088	32%	0.32	C	S	.	.	H	α-helix	trans	-69	-42.6	-175.1	-175.7	-121.2	0	0	0	112.7	V9 Y30 F31 S36 H37 V38 I178 R182 C185	V9-F34 HydrophobicContact CG2-CE1 4.13Å; Y30-F34 HydrophobicContact CE2-CB 4.44Å; Y30-F34 WeakPolarHBondContact O-CB 3.15Å; Y30-F34 PolarHBondContact O-N 3.26Å; F31-F34 PolarHBondContact O-N 3.45Å; F34-S36 VanDerWaalsContact C-N 3.34Å; F34-S36 PolarHBondContact O-N 2.77Å; F34-H37 PolarHBondContact O-N 2.84Å; F34-H37 VanDerWaalsContact O-N 3.16Å; F34-V38 HydrophobicContact CD1-CG2 4.09Å; F34-V38 HydrophobicContact CD2-CG2 4.19Å; F34-V38 HydrophobicContact CE1-CG2 3.69Å; F34-V38 HydrophobicContact CE2-CG2 3.78Å; F34-V38 HydrophobicContact CG-CG2 4.33Å; F34-V38 HydrophobicContact CZ-CG2 3.51Å; F34-V38 WeakPolarHBondContact O-CG2 3.27Å; F34-V38 PolarHBondContact O-N 3.47Å; F34-I178 HydrophobicContact CE2-CG2 3.87Å; F34-I178 HydrophobicContact CZ-CG2 3.85Å; F34-R182 HydrophobicContact CD2-CB 4.01Å; F34-R182 HydrophobicContact CD2-CG 4.45Å; F34-R182 HydrophobicContact CE2-CB 3.68Å; F34-R182 HydrophobicContact CE2-CG 4.25Å; F34-R182 HydrophobicContact CZ-CB 4.35Å; F34-C185 HydrophobicContact CB-CB 4.4Å; F34-C185 PolarHBondContact N-SG 3.06Å; F34-C185 VanDerWaalsContact N-SG 3.4Å
35	S	73.3	Confident	73.8	Confident	51 Å²	51	60.8 Å²	60.8	36%	0.357	32%	0.323	S	S	.	.	H	α-helix	trans	-62.5	-38.6	-179.9	60.3	0	0	0	0	112.4	F31 Q32 H37 V38 K39	F31-S35 WeakPolarHBondContact O-CB 3.46Å; F31-S35 PolarHBondContact O-N 2.87Å; F31-S35 PolarHBondContact O-OG 2.02Å; Q32-S35 PolarHBondContact O-OG 3.27Å; S35-H37 VanDerWaalsContact C-N 3.29Å; S35-H37 PolarHBondContact O-N 3.39Å; S35-V38 PolarHBondContact O-N 3.28Å; S35-K39 WeakPolarHBondContact O-CB 3.48Å; S35-K39 PolarHBondContact O-N 3.28Å
36	S	73.5	Confident	73.2	Confident	55 Å²	55	57.7 Å²	57.7	39%	0.385	32%	0.32	S	S	.	.	H	α-helix	trans	-60.4	-39.1	175.2	72.3	0	0	0	0	112.4	Q32 C33 F34 N40	Q32-S36 PolarHBondContact O-N 3.3Å; Q32-S36 PolarHBondContact O-OG 3.15Å; C33-S36 PolarHBondContact O-OG 3.45Å; F34-S36 VanDerWaalsContact C-N 3.34Å; F34-S36 PolarHBondContact O-N 2.77Å; S36-N40 VanDerWaalsContact O-CG 3.29Å; S36-N40 PolarHBondContact O-N 3.33Å; S36-N40 VanDerWaalsContact O-N 3.16Å; S36-N40 PolarHBondContact O-ND2 3.43Å
37	H	73.1	Confident	72.7	Confident	58 Å²	58	56.1 Å²	56.1	27%	0.269	31%	0.314	S	S	.	.	H	α-helix	trans	-71.3	-43.4	175.8	-74.8	-59.9	0	0	0	112.3	C33 F34 S35 K39 N40 F41 K181	C33-H37 PolarHBondContact O-CD2 2.93Å; C33-H37 VanDerWaalsContact O-CD2 3.22Å; F34-H37 PolarHBondContact O-N 2.84Å; F34-H37 VanDerWaalsContact O-N 3.16Å; S35-H37 VanDerWaalsContact C-N 3.29Å; S35-H37 PolarHBondContact O-N 3.39Å; H37-K39 VanDerWaalsContact C-N 3.32Å; H37-K39 PolarHBondContact O-N 2.95Å; H37-N40 PolarHBondContact O-N 3.44Å; H37-F41 VanDerWaalsContact O-CB 3.29Å; H37-F41 WeakPolarHBondContact O-CB 3.49Å; H37-F41 PolarHBondContact O-N 3.21Å; H37-K181 HydrophobicContact CB-CB 4.23Å; H37-K181 HydrophobicContact CB-CG 4.33Å
38	V	70.7	Confident	72.5	Confident	21 Å²	21	57.7 Å²	57.7	13%	0.127	32%	0.32	C	S	.	.	H	α-helix	trans	-62.3	-40.8	176.2	173.8	0	0	0	0	110.7	F34 S35 F41 L42	F34-V38 HydrophobicContact CD1-CG2 4.09Å; F34-V38 HydrophobicContact CD2-CG2 4.19Å; F34-V38 HydrophobicContact CE1-CG2 3.69Å; F34-V38 HydrophobicContact CE2-CG2 3.78Å; F34-V38 HydrophobicContact CG-CG2 4.33Å; F34-V38 HydrophobicContact CZ-CG2 3.51Å; F34-V38 WeakPolarHBondContact O-CG2 3.27Å; F34-V38 PolarHBondContact O-N 3.47Å; S35-V38 PolarHBondContact O-N 3.28Å; V38-F41 WeakPolarHBondContact O-CB 3.19Å; V38-F41 PolarHBondContact O-N 2.9Å; V38-L42 HydrophobicContact CG1-CD1 3.65Å; V38-L42 HydrophobicContact CG1-CG 4.03Å; V38-L42 WeakPolarHBondContact O-CB 3.49Å; V38-L42 VanDerWaalsContact O-CG 3.26Å; V38-L42 WeakPolarHBondContact O-CG 3.41Å; V38-L42 PolarHBondContact O-N 3.49Å
39	K	66.2	Low	72.8	Confident	126 Å²	126	62.4 Å²	62.4	55%	0.548	34%	0.339	S	S	.	.	H	α-helix	trans	-60.1	-52.7	176.2	-175.4	174	-177.8	172.1	0	111.4	S35 H37 F41 L42 S43	S35-K39 WeakPolarHBondContact O-CB 3.48Å; S35-K39 PolarHBondContact O-N 3.28Å; H37-K39 VanDerWaalsContact C-N 3.32Å; H37-K39 PolarHBondContact O-N 2.95Å; K39-F41 PolarHBondContact O-N 3.16Å; K39-L42 PolarHBondContact O-N 3.01Å; K39-S43 WeakPolarHBondContact O-CB 3.45Å; K39-S43 PolarHBondContact O-N 2.97Å; K39-S43 PolarHBondContact O-OG 3.34Å
40	N	67.7	Low	73	Confident	111 Å²	111	65 Å²	65	59%	0.594	35%	0.346	S	S	*	.	H	α-helix	trans	-57.6	-37.5	177.9	-70.2	-15.4	0	0	0	112.1	S36 H37 N44	S36-N40 VanDerWaalsContact O-CG 3.29Å; S36-N40 PolarHBondContact O-N 3.33Å; S36-N40 VanDerWaalsContact O-N 3.16Å; S36-N40 PolarHBondContact O-ND2 3.43Å; H37-N40 PolarHBondContact O-N 3.44Å; N40-N44 PolarHBondContact O-N 3.19Å
41	F	66.4	Low	73	Confident	38 Å²	38	67 Å²	67	17%	0.167	35%	0.354	C	S	.	.	H	α-helix	trans	-66.6	-50.2	176.1	176.3	-92.2	0	0	0	112.4	H37 V38 K39 S43 N44 H174 I178	H37-F41 VanDerWaalsContact O-CB 3.29Å; H37-F41 WeakPolarHBondContact O-CB 3.49Å; H37-F41 PolarHBondContact O-N 3.21Å; V38-F41 WeakPolarHBondContact O-CB 3.19Å; V38-F41 PolarHBondContact O-N 2.9Å; K39-F41 PolarHBondContact O-N 3.16Å; F41-S43 PolarHBondContact O-N 2.88Å; F41-N44 PolarHBondContact O-N 3.49Å; F41-N44 VanDerWaalsContact O-N 3.08Å; F41-H174 HydrophobicContact CE2-CB 3.32Å; F41-H174 AromaticContact CE2-CD2 3.66Å; F41-H174 AromaticContact CE2-CE1 3.81Å; F41-H174 AromaticContact CE2-CG 3.19Å; F41-H174 AromaticContact CE2-ND1 3.34Å; F41-H174 VanDerWaalsContact CE2-ND1 3.34Å; F41-H174 WeakPolarHBondContact CE2-ND1 3.18Å; F41-H174 HydrophobicContact CZ-CB 3.38Å; F41-H174 AromaticContact CZ-CE1 4Å; F41-H174 AromaticContact CZ-CG 3.43Å; F41-H174 VanDerWaalsContact CZ-CG 3.43Å; F41-H174 AromaticContact CZ-ND1 3.24Å; F41-H174 WeakPolarHBondContact CZ-ND1 3.25Å; F41-I178 HydrophobicContact CD1-CD1 3.72Å; F41-I178 HydrophobicContact CD1-CG1 4.38Å; F41-I178 HydrophobicContact CD2-CD1 4.33Å; F41-I178 HydrophobicContact CD2-CG1 4.37Å; F41-I178 HydrophobicContact CE1-CD1 3.72Å; F41-I178 HydrophobicContact CE2-CD1 4.34Å; F41-I178 HydrophobicContact CG-CD1 4.05Å; F41-I178 HydrophobicContact CG-CG1 4.22Å; F41-I178 HydrophobicContact CZ-CD1 4.06Å
42	L	62.1	Low	73.4	Confident	48 Å²	48	68 Å²	68	25%	0.251	36%	0.359	S	S	.	.	H	α-helix	trans	-66.4	-25.3	179.8	-70.2	174.8	0	0	0	112.8	H6 V38 K39 N44 N45	H6-L42 VanDerWaalsContact NE2-CD1 3.34Å; H6-L42 WeakPolarHBondContact NE2-CD1 3.41Å; V38-L42 HydrophobicContact CG1-CD1 3.65Å; V38-L42 HydrophobicContact CG1-CG 4.03Å; V38-L42 WeakPolarHBondContact O-CB 3.49Å; V38-L42 VanDerWaalsContact O-CG 3.26Å; V38-L42 WeakPolarHBondContact O-CG 3.41Å; V38-L42 PolarHBondContact O-N 3.49Å; K39-L42 PolarHBondContact O-N 3.01Å; L42-N44 VanDerWaalsContact C-N 3.34Å; L42-N45 PolarHBondContact O-ND2 3.48Å
43	S	61.7	Low	74.1	Confident	82 Å²	82	63.9 Å²	63.9	57%	0.573	35%	0.349	S	S	*	.	H	α-helix	trans	-76.9	-20.2	173.5	-59.1	0	0	0	0	113.1	K39 F41 N45	K39-S43 WeakPolarHBondContact O-CB 3.45Å; K39-S43 PolarHBondContact O-N 2.97Å; K39-S43 PolarHBondContact O-OG 3.34Å; F41-S43 PolarHBondContact O-N 2.88Å; S43-N45 VanDerWaalsContact C-N 3.31Å; S43-N45 PolarHBondContact O-N 3.13Å; S43-N45 VanDerWaalsContact O-N 3.09Å
44	N	63.9	Low	74.5	Confident	98 Å²	98	66.6 Å²	66.6	52%	0.524	36%	0.36	S	S	.	.			trans	-88.2	68	-178.9	-164.4	15.4	0	0	0	111.4	N40 F41 L42	N40-N44 PolarHBondContact O-N 3.19Å; F41-N44 PolarHBondContact O-N 3.49Å; F41-N44 VanDerWaalsContact O-N 3.08Å; L42-N44 VanDerWaalsContact C-N 3.34Å
45	N	64.4	Low	75	Confident	63 Å²	63	66.1 Å²	66.1	34%	0.337	36%	0.36	S	S	.	.			trans	-103.9	45.7	178.7	-70.5	-30.1	0	0	0	111.2	L42 S43 D47 W48	L42-N45 PolarHBondContact O-ND2 3.48Å; S43-N45 VanDerWaalsContact C-N 3.31Å; S43-N45 PolarHBondContact O-N 3.13Å; S43-N45 VanDerWaalsContact O-N 3.09Å; N45-D47 PolarHBondContact O-N 2.85Å; N45-D47 VanDerWaalsContact O-N 3.14Å; N45-W48 HydrophobicContact CB-CB 3.88Å; N45-W48 VanDerWaalsContact O-CB 3.32Å; N45-W48 WeakPolarHBondContact O-CB 3.4Å; N45-W48 PolarHBondContact O-N 2.94Å
46	S	67	Low	76	Confident	106 Å²	106	64.8 Å²	64.8	74%	0.741	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.4	-171.7	55.9	0	0	0	0	114
47	D	74.4	Confident	77	Confident	33 Å²	33	68.8 Å²	68.8	18%	0.176	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	0.7	178.9	66.8	-38.7	0	0	0	113.8	N45 E49 E50 K51 Q170	N45-D47 PolarHBondContact O-N 2.85Å; N45-D47 VanDerWaalsContact O-N 3.14Å; D47-E49 PolarHBondContact O-N 3.41Å; D47-E50 PolarHBondContact O-N 3.22Å; D47-K51 HydrophobicContact CB-CG 4.45Å; D47-K51 VanDerWaalsContact O-CG 3.3Å; D47-K51 WeakPolarHBondContact O-CG 3.49Å; D47-K51 PolarHBondContact O-N 3.27Å; D47-Q170 PolarHBondContact OD1-NE2 3.42Å; D47-Q170 PolarHBondContact OD2-OE1 3.02Å
48	W	76.7	Confident	78.1	Confident	35 Å²	35	66.1 Å²	66.1	13%	0.133	35%	0.347	C	S	.	.	H	α-helix	trans	-58.9	-46.9	-173.9	165.2	-118.2	0	0	0	113.3	N45 E50 K51 K52 Y131 V134 I135	N45-W48 HydrophobicContact CB-CB 3.88Å; N45-W48 VanDerWaalsContact O-CB 3.32Å; N45-W48 WeakPolarHBondContact O-CB 3.4Å; N45-W48 PolarHBondContact O-N 2.94Å; W48-E50 VanDerWaalsContact C-N 3.31Å; W48-E50 PolarHBondContact O-N 3.4Å; W48-K51 PolarHBondContact O-N 2.93Å; W48-K52 HydrophobicContact CZ2-CB 4.45Å; W48-K52 HydrophobicContact CZ2-CD 4.15Å; W48-K52 HydrophobicContact CZ2-CG 4.5Å; W48-K52 VanDerWaalsContact O-CB 3.28Å; W48-K52 WeakPolarHBondContact O-CB 3.14Å; W48-K52 PolarHBondContact O-N 3.32Å; W48-Y131 HydrophobicContact CB-CE2 4.44Å; W48-Y131 AromaticContact CD2-CD2 3.33Å; W48-Y131 HydrophobicContact CD2-CD2 3.33Å; W48-Y131 AromaticContact CD2-CE2 3.34Å; W48-Y131 HydrophobicContact CD2-CE2 3.34Å; W48-Y131 AromaticContact CE2-CD2 3.39Å; W48-Y131 AromaticContact CE2-CE2 3.89Å; W48-Y131 AromaticContact CE3-CD2 3.53Å; W48-Y131 HydrophobicContact CE3-CD2 3.53Å; W48-Y131 AromaticContact CE3-CE2 3.06Å; W48-Y131 HydrophobicContact CE3-CE2 3.06Å; W48-Y131 AromaticContact CE3-CZ 3.96Å; W48-Y131 AromaticContact CG-CD2 3.9Å; W48-Y131 HydrophobicContact CG-CD2 3.9Å; W48-Y131 AromaticContact CG-CE2 3.97Å; W48-Y131 HydrophobicContact CG-CE2 3.97Å; W48-Y131 AromaticContact CH2-CD2 3.74Å; W48-Y131 HydrophobicContact CH2-CD2 3.74Å; W48-Y131 AromaticContact CH2-CE2 3.86Å; W48-Y131 HydrophobicContact CH2-CE2 3.86Å; W48-Y131 HydrophobicContact CH2-CG 4.29Å; W48-Y131 AromaticContact CZ2-CD2 3.61Å; W48-Y131 HydrophobicContact CZ2-CD2 3.61Å; W48-Y131 HydrophobicContact CZ2-CE2 4.13Å; W48-Y131 HydrophobicContact CZ2-CG 4.19Å; W48-Y131 AromaticContact CZ3-CD2 3.72Å; W48-Y131 HydrophobicContact CZ3-CD2 3.72Å; W48-Y131 AromaticContact CZ3-CE2 3.34Å; W48-Y131 HydrophobicContact CZ3-CE2 3.34Å; W48-Y131 AromaticContact CZ3-CZ 3.89Å; W48-Y131 AromaticContact NE1-CD2 3.99Å; W48-V134 HydrophobicContact CH2-CB 3.99Å; W48-V134 HydrophobicContact CH2-CG1 3.61Å; W48-V134 HydrophobicContact CZ2-CB 3.77Å; W48-V134 HydrophobicContact CZ2-CG1 3.58Å; W48-V134 HydrophobicContact CZ2-CG2 4.37Å; W48-I135 HydrophobicContact CH2-CD1 4.31Å; W48-I135 HydrophobicContact CH2-CG1 3.68Å; W48-I135 HydrophobicContact CZ3-CD1 4.13Å; W48-I135 HydrophobicContact CZ3-CG1 3.89Å
49	E	83.2	Confident	79.3	Confident	112 Å²	112	65.1 Å²	65.1	52%	0.523	34%	0.341	S	S	.	.	H	α-helix	trans	-63.7	-38.7	-179.4	-70.7	-60.4	127.3	0	0	111.7	D47 K52 A53	D47-E49 PolarHBondContact O-N 3.41Å; E49-K52 IonicContact OE1-NZ 2.75Å; E49-K52 PolarHBondContact OE1-NZ 2.99Å; E49-K52 WeakPolarHBondContact OE2-CE 3.27Å; E49-K52 IonicContact OE2-NZ 2.76Å; E49-K52 PolarHBondContact OE2-NZ 2.8Å; E49-A53 WeakPolarHBondContact O-CB 3.24Å; E49-A53 PolarHBondContact O-N 2.85Å
50	E	85.2	Confident	80.7	Confident	131 Å²	131	63 Å²	63	61%	0.612	34%	0.338	S	S	*	.	H	α-helix	trans	-64	-46	174.6	-172.9	-175.2	164.6	0	0	111	D47 W48 A53 E54	D47-E50 PolarHBondContact O-N 3.22Å; W48-E50 VanDerWaalsContact C-N 3.31Å; W48-E50 PolarHBondContact O-N 3.4Å; E50-A53 PolarHBondContact O-N 3.42Å; E50-E54 WeakPolarHBondContact O-CB 3.37Å; E50-E54 PolarHBondContact O-N 3.49Å
51	K	83.7	Confident	81.9	Confident	43 Å²	43	62 Å²	62	19%	0.187	34%	0.336	C	S	.	.	H	α-helix	trans	-68.5	-37	-179.8	-65.9	-67.7	153.6	-155.6	0	112.9	D47 W48 E54 A55 V163 T167	D47-K51 HydrophobicContact CB-CG 4.45Å; D47-K51 VanDerWaalsContact O-CG 3.3Å; D47-K51 WeakPolarHBondContact O-CG 3.49Å; D47-K51 PolarHBondContact O-N 3.27Å; W48-K51 PolarHBondContact O-N 2.93Å; K51-E54 IonicContact NZ-OE2 2.65Å; K51-E54 PolarHBondContact NZ-OE2 3.27Å; K51-E54 PolarHBondContact O-N 2.82Å; K51-A55 WeakPolarHBondContact O-CB 3.36Å; K51-A55 PolarHBondContact O-N 2.82Å; K51-V163 HydrophobicContact CD-CG1 4.03Å; K51-T167 HydrophobicContact CD-CG2 3.7Å; K51-T167 HydrophobicContact CG-CG2 4.3Å
52	K	86.6	Confident	83.2	Confident	38 Å²	38	60.8 Å²	60.8	17%	0.165	33%	0.333	C	S	.	.	H	α-helix	trans	-59.7	-48	172.1	-176.6	178.6	71.4	-170.6	0	110.1	W48 E49 A55 L56 L69 V134	W48-K52 HydrophobicContact CZ2-CB 4.45Å; W48-K52 HydrophobicContact CZ2-CD 4.15Å; W48-K52 HydrophobicContact CZ2-CG 4.5Å; W48-K52 VanDerWaalsContact O-CB 3.28Å; W48-K52 WeakPolarHBondContact O-CB 3.14Å; W48-K52 PolarHBondContact O-N 3.32Å; E49-K52 IonicContact OE1-NZ 2.75Å; E49-K52 PolarHBondContact OE1-NZ 2.99Å; E49-K52 WeakPolarHBondContact OE2-CE 3.27Å; E49-K52 IonicContact OE2-NZ 2.76Å; E49-K52 PolarHBondContact OE2-NZ 2.8Å; K52-A55 PolarHBondContact O-N 3.28Å; K52-L56 HydrophobicContact CG-CD1 4.45Å; K52-L56 WeakPolarHBondContact O-CG 3.46Å; K52-L56 PolarHBondContact O-N 2.87Å; K52-L69 HydrophobicContact CD-CD1 3.85Å; K52-L69 HydrophobicContact CG-CD1 3.96Å; K52-V134 HydrophobicContact CD-CG1 3.95Å; K52-V134 HydrophobicContact CG-CG1 3.99Å
53	A	90.8	Very high	84.7	Confident	56 Å²	56	61.2 Å²	61.2	46%	0.463	35%	0.349	S	S	.	.	H	α-helix	trans	-63.2	-41.8	176.9	0	0	0	0	0	112.5	E49 E50 A55 L56 K57	E49-A53 WeakPolarHBondContact O-CB 3.24Å; E49-A53 PolarHBondContact O-N 2.85Å; E50-A53 PolarHBondContact O-N 3.42Å; A53-A55 VanDerWaalsContact C-N 3.34Å; A53-A55 PolarHBondContact O-N 3.46Å; A53-L56 PolarHBondContact O-N 2.9Å; A53-K57 WeakPolarHBondContact O-CB 3.27Å; A53-K57 PolarHBondContact O-N 3.21Å
54	E	91.7	Very high	86.2	Confident	74 Å²	74	58 Å²	58	35%	0.346	33%	0.326	S	S	.	.	H	α-helix	trans	-61.1	-42.8	175.9	-161.4	-176.8	170.7	0	0	111.6	E50 K51 K57 C58 V163	E50-E54 WeakPolarHBondContact O-CB 3.37Å; E50-E54 PolarHBondContact O-N 3.49Å; K51-E54 IonicContact NZ-OE2 2.65Å; K51-E54 PolarHBondContact NZ-OE2 3.27Å; K51-E54 PolarHBondContact O-N 2.82Å; E54-K57 WeakPolarHBondContact O-CB 2.94Å; E54-K57 PolarHBondContact O-N 2.96Å; E54-C58 PolarHBondContact O-N 2.85Å; E54-V163 HydrophobicContact CB-CG1 4.33Å; E54-V163 HydrophobicContact CB-CG2 4.29Å; E54-V163 HydrophobicContact CG-CG1 4.37Å; E54-V163 HydrophobicContact CG-CG2 3.7Å
55	A	92.1	Very high	87.5	Confident	10 Å²	10	59.2 Å²	59.2	8%	0.083	33%	0.328	C	S	.	.	H	α-helix	trans	-66.7	-41.3	177.2	0	0	0	0	0	112.7	K51 K52 A53 K57 C58 F59 I138 L160	K51-A55 WeakPolarHBondContact O-CB 3.36Å; K51-A55 PolarHBondContact O-N 2.82Å; K52-A55 PolarHBondContact O-N 3.28Å; A53-A55 VanDerWaalsContact C-N 3.34Å; A53-A55 PolarHBondContact O-N 3.46Å; A55-K57 VanDerWaalsContact C-N 3.33Å; A55-C58 VanDerWaalsContact O-CB 3.26Å; A55-C58 WeakPolarHBondContact O-CB 3.23Å; A55-C58 PolarHBondContact O-N 3.33Å; A55-F59 WeakPolarHBondContact O-CD2 3.39Å; A55-I138 HydrophobicContact CB-CD1 4.03Å; A55-I138 HydrophobicContact CB-CG2 4.24Å; A55-L160 HydrophobicContact CB-CD2 3.75Å
56	L	94.3	Very high	88.8	Confident	23 Å²	23	60.8 Å²	60.8	12%	0.12	33%	0.334	C	S	.	.	H	α-helix	trans	-64	-40.1	174.4	-69.9	174.1	0	0	0	111.5	K52 A53 C58 F59 E66 P67 L69 I138	K52-L56 HydrophobicContact CG-CD1 4.45Å; K52-L56 WeakPolarHBondContact O-CG 3.46Å; K52-L56 PolarHBondContact O-N 2.87Å; A53-L56 PolarHBondContact O-N 2.9Å; L56-C58 PolarHBondContact O-N 3.33Å; L56-F59 WeakPolarHBondContact O-CB 3.41Å; L56-F59 PolarHBondContact O-N 3.45Å; L56-E66 HydrophobicContact CB-CG 4.27Å; L56-E66 HydrophobicContact CD2-CG 4.01Å; L56-P67 HydrophobicContact CD2-CG 3.65Å; L56-L69 HydrophobicContact CD1-CD1 3.88Å; L56-L69 HydrophobicContact CD2-CD1 4.1Å; L56-L69 HydrophobicContact CD2-CD2 4.41Å; L56-L69 HydrophobicContact CD2-CG 4.25Å; L56-L69 HydrophobicContact CG-CD1 4.35Å; L56-I138 HydrophobicContact CD2-CG1 4.45Å
57	K	95.1	Very high	89.8	Confident	139 Å²	139	56 Å²	56	60%	0.604	30%	0.3	S	S	*	.	H	α-helix	trans	-59.7	-29.6	175.1	-172.2	176.7	-179.7	-179	0	112.6	A53 E54 A55 F59 V60 T61	A53-K57 WeakPolarHBondContact O-CB 3.27Å; A53-K57 PolarHBondContact O-N 3.21Å; E54-K57 WeakPolarHBondContact O-CB 2.94Å; E54-K57 PolarHBondContact O-N 2.96Å; A55-K57 VanDerWaalsContact C-N 3.33Å; K57-F59 VanDerWaalsContact C-N 3.25Å; K57-F59 PolarHBondContact O-N 3.42Å; K57-V60 PolarHBondContact O-N 2.92Å; K57-T61 HydrophobicContact CG-CG2 3.84Å; K57-T61 WeakPolarHBondContact O-CB 3.47Å; K57-T61 WeakPolarHBondContact O-CG2 3.29Å; K57-T61 PolarHBondContact O-N 3.47Å; K57-T61 PolarHBondContact O-OG1 3.26Å
58	C	96.2	Very high	90.3	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.007	31%	0.31	C	S	.	.	H	α-helix	trans	-59.3	-34.7	173.8	-70.3	0	0	0	0	113	E54 A55 L56 T61 S62 V156 C159 L160	E54-C58 PolarHBondContact O-N 2.85Å; A55-C58 VanDerWaalsContact O-CB 3.26Å; A55-C58 WeakPolarHBondContact O-CB 3.23Å; A55-C58 PolarHBondContact O-N 3.33Å; L56-C58 PolarHBondContact O-N 3.33Å; C58-T61 PolarHBondContact O-OG1 3.48Å; C58-S62 WeakPolarHBondContact O-CB 3Å; C58-S62 PolarHBondContact O-N 2.89Å; C58-S62 PolarHBondContact O-OG 3.4Å; C58-V156 HydrophobicContact CB-CG2 4.1Å; C58-C159 WeakPolarHBondContact CA-SG 3.34Å; C58-C159 HydrophobicContact CB-CB 3.57Å; C58-C159 WeakPolarHBondContact CB-SG 3.11Å; C58-C159 WeakPolarHBondContact SG-CB 3.16Å; C58-C159 CovalentContact SG-SG 2.04Å; C58-C159 PolarHBondContact SG-SG 2.83Å; C58-L160 HydrophobicContact CB-CD2 4.09Å; C58-L160 HydrophobicContact CB-CG 4.23Å
59	F	96.5	Very high	90.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-67.9	-54.5	177.1	-74.5	-97.8	0	0	0	110.5	A55 L56 K57 T61 S62 G63 C64 Q65 P67 I138 A142 V156 L160	A55-F59 WeakPolarHBondContact O-CD2 3.39Å; L56-F59 WeakPolarHBondContact O-CB 3.41Å; L56-F59 PolarHBondContact O-N 3.45Å; K57-F59 VanDerWaalsContact C-N 3.25Å; K57-F59 PolarHBondContact O-N 3.42Å; F59-T61 PolarHBondContact O-N 2.89Å; F59-S62 PolarHBondContact O-N 3.44Å; F59-S62 VanDerWaalsContact O-N 3.16Å; F59-G63 PolarHBondContact O-N 3.14Å; F59-C64 HydrophobicContact CB-CB 4.05Å; F59-C64 HydrophobicContact CD1-CB 3.83Å; F59-C64 HydrophobicContact CG-CB 4.41Å; F59-C64 WeakPolarHBondContact O-CB 3.47Å; F59-C64 PolarHBondContact O-N 3.23Å; F59-Q65 WeakPolarHBondContact CD1-O 3.01Å; F59-P67 HydrophobicContact CD2-CG 4.27Å; F59-P67 HydrophobicContact CE2-CG 4.15Å; F59-P67 HydrophobicContact CZ-CG 4.28Å; F59-I138 HydrophobicContact CE2-CG2 3.84Å; F59-I138 HydrophobicContact CZ-CG2 4.39Å; F59-I138 WeakPolarHBondContact CZ-O 3.24Å; F59-A142 HydrophobicContact CE1-CB 4.29Å; F59-A142 HydrophobicContact CZ-CB 3.95Å; F59-V156 HydrophobicContact CD1-CG2 4.07Å; F59-V156 HydrophobicContact CD2-CG2 3.97Å; F59-V156 HydrophobicContact CE1-CG2 4.11Å; F59-V156 HydrophobicContact CE2-CG2 4Å; F59-V156 HydrophobicContact CG-CG2 4Å; F59-V156 HydrophobicContact CZ-CG2 4.06Å; F59-L160 HydrophobicContact CE2-CD1 4.29Å; F59-L160 HydrophobicContact CZ-CD1 4.47Å
60	V	94.2	Very high	90	Very high	82 Å²	82	55.9 Å²	55.9	50%	0.497	31%	0.308	S	S	.	.	H	α-helix	trans	-58.3	-48.5	-177.6	-178.3	0	0	0	0	111.1	K57 S62 G63 E66	K57-V60 PolarHBondContact O-N 2.92Å; V60-S62 VanDerWaalsContact C-N 3.28Å; V60-S62 PolarHBondContact O-N 2.78Å; V60-G63 PolarHBondContact O-N 2.98Å; V60-E66 HydrophobicContact CG2-CB 4.02Å; V60-E66 HydrophobicContact CG2-CG 4.37Å; V60-E66 WeakPolarHBondContact CG2-OE2 3.38Å
61	T	94.1	Very high	89.1	Confident	90 Å²	90	54.9 Å²	54.9	55%	0.552	30%	0.299	S	S	*	.	H	α-helix	trans	-70.4	-22.3	-178.1	55	0	0	0	0	113.8	K57 C58 F59 G63	K57-T61 HydrophobicContact CG-CG2 3.84Å; K57-T61 WeakPolarHBondContact O-CB 3.47Å; K57-T61 WeakPolarHBondContact O-CG2 3.29Å; K57-T61 PolarHBondContact O-N 3.47Å; K57-T61 PolarHBondContact O-OG1 3.26Å; C58-T61 PolarHBondContact O-OG1 3.48Å; F59-T61 PolarHBondContact O-N 2.89Å; T61-G63 VanDerWaalsContact C-N 3.33Å
62	S	94.2	Very high	88	Confident	13 Å²	13	56.9 Å²	56.9	9%	0.091	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-1.7	175.9	-60.4	0	0	0	0	113.2	C58 F59 V60 S152 V156	C58-S62 WeakPolarHBondContact O-CB 3Å; C58-S62 PolarHBondContact O-N 2.89Å; C58-S62 PolarHBondContact O-OG 3.4Å; F59-S62 PolarHBondContact O-N 3.44Å; F59-S62 VanDerWaalsContact O-N 3.16Å; V60-S62 VanDerWaalsContact C-N 3.28Å; V60-S62 PolarHBondContact O-N 2.78Å; S62-S152 WeakPolarHBondContact O-CB 3.39Å; S62-S152 PolarHBondContact O-OG 2.93Å; S62-V156 WeakPolarHBondContact OG-CA 3.41Å; S62-V156 PolarHBondContact OG-N 2.96Å
63	G	92.5	Very high	86.9	Confident	57 Å²	57	58.4 Å²	58.4	59%	0.588	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	23.6	-175.4	0	0	0	0	0	113.6	F59 V60 T61	F59-G63 PolarHBondContact O-N 3.14Å; V60-G63 PolarHBondContact O-N 2.98Å; T61-G63 VanDerWaalsContact C-N 3.33Å
64	C	93.4	Very high	85.7	Confident	13 Å²	13	56.4 Å²	56.4	9%	0.088	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-95	161.4	171.4	-63.1	0	0	0	0	111.6	F59 M147 C148	F59-C64 HydrophobicContact CB-CB 4.05Å; F59-C64 HydrophobicContact CD1-CB 3.83Å; F59-C64 HydrophobicContact CG-CB 4.41Å; F59-C64 WeakPolarHBondContact O-CB 3.47Å; F59-C64 PolarHBondContact O-N 3.23Å; C64-M147 CarbonylContact C-O 3.4Å; C64-M147 WeakPolarHBondContact CA-O 3.3Å; C64-M147 VanDerWaalsContact CB-O 3.31Å; C64-M147 WeakPolarHBondContact CB-O 3.39Å; C64-C148 HydrophobicContact CB-CB 4.08Å; C64-C148 WeakPolarHBondContact CB-SG 3.48Å; C64-C148 WeakPolarHBondContact SG-CA 3.23Å; C64-C148 WeakPolarHBondContact SG-CB 3.49Å; C64-C148 CovalentContact SG-SG 2.03Å; C64-C148 PolarHBondContact SG-SG 3.2Å
65	Q	92.1	Very high	83.9	Confident	125 Å²	125	54.7 Å²	54.7	58%	0.584	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-68.8	131.4	165.2	-173.7	174.8	-4.2	0	0	110.3	F59 M147	F59-Q65 WeakPolarHBondContact CD1-O 3.01Å; Q65-M147 HydrophobicContact CB-CB 4.47Å; Q65-M147 PolarHBondContact N-O 3.46Å
66	E	91.2	Very high	82	Confident	96 Å²	96	57 Å²	57	45%	0.449	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-68.4	131.4	173.5	-171.8	177.2	164.5	0	0	110.4	L56 V60	L56-E66 HydrophobicContact CB-CG 4.27Å; L56-E66 HydrophobicContact CD2-CG 4.01Å; V60-E66 HydrophobicContact CG2-CB 4.02Å; V60-E66 HydrophobicContact CG2-CG 4.37Å; V60-E66 WeakPolarHBondContact CG2-OE2 3.38Å
67	P	87.4	Confident	80.1	Confident	5 Å²	5	62 Å²	62	3%	0.032	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-72.1	135.7	178.9	28.6	-33.4	0	0	0	111.8	L56 F59 K137 I138 S141 M147	L56-P67 HydrophobicContact CD2-CG 3.65Å; F59-P67 HydrophobicContact CD2-CG 4.27Å; F59-P67 HydrophobicContact CE2-CG 4.15Å; F59-P67 HydrophobicContact CZ-CG 4.28Å; P67-K137 HydrophobicContact CB-CG 4.46Å; P67-I138 HydrophobicContact CG-CG1 4.48Å; P67-S141 WeakPolarHBondContact CB-OG 3.38Å; P67-M147 HydrophobicContact CB-CE 3.73Å
68	T	84.2	Confident	77.8	Confident	62 Å²	62	59.1 Å²	59.1	38%	0.38	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-68.3	132.9	164.3	50.7	0	0	0	0	109	D74 K137	T68-D74 VanDerWaalsContact O-OD2 3.1Å; T68-D74 PolarHBondContact OG1-OD1 3.48Å; T68-K137 WeakPolarHBondContact O-CE 3.32Å
69	L	80.9	Confident	75.2	Confident	44 Å²	44	61.9 Å²	61.9	23%	0.23	35%	0.346	C	S	.	.			trans	-103.6	33.8	178.6	-59.5	-176.2	0	0	0	111.5	K52 L56 V134 K137 I138	K52-L69 HydrophobicContact CD-CD1 3.85Å; K52-L69 HydrophobicContact CG-CD1 3.96Å; L56-L69 HydrophobicContact CD1-CD1 3.88Å; L56-L69 HydrophobicContact CD2-CD1 4.1Å; L56-L69 HydrophobicContact CD2-CD2 4.41Å; L56-L69 HydrophobicContact CD2-CG 4.25Å; L56-L69 HydrophobicContact CG-CD1 4.35Å; L69-V134 HydrophobicContact CB-CG2 4.36Å; L69-V134 HydrophobicContact CD1-CG1 3.71Å; L69-V134 HydrophobicContact CD1-CG2 4.19Å; L69-V134 HydrophobicContact CD2-CG1 4.1Å; L69-V134 HydrophobicContact CG-CG1 4.5Å; L69-K137 HydrophobicContact CD2-CB 4.31Å; L69-K137 HydrophobicContact CD2-CG 4.08Å; L69-I138 HydrophobicContact CD2-CG1 4.11Å
70	N	74.4	Confident	72.9	Confident	72 Å²	72	65.4 Å²	65.4	39%	0.385	38%	0.383	S	S	.	.			trans	-100.2	95.9	-177.3	-177.4	-13.5	0	0	0	109.1	S72 E73 D74	N70-S72 VanDerWaalsContact C-N 3.27Å; N70-S72 PolarHBondContact O-N 3.27Å; N70-S72 PolarHBondContact OD1-N 3.34Å; N70-E73 HydrophobicContact CB-CB 3.84Å; N70-E73 VanDerWaalsContact CG-CB 3.4Å; N70-E73 WeakPolarHBondContact ND2-CB 3.36Å; N70-E73 PolarHBondContact ND2-OE2 3.38Å; N70-E73 PolarHBondContact O-N 2.9Å; N70-E73 VanDerWaalsContact O-N 3.16Å; N70-E73 PolarHBondContact OD1-N 3.21Å; N70-E73 VanDerWaalsContact OD1-N 3.14Å; N70-D74 WeakPolarHBondContact O-CB 3.3Å; N70-D74 PolarHBondContact O-N 3.19Å; N70-D74 VanDerWaalsContact O-OD2 3.09Å
71	Y	64.7	Low	70.4	Confident	109 Å²	109	66.7 Å²	66.7	43%	0.427	39%	0.385	S	S	.	.	H	α-helix	trans	-50.1	-47.7	179.6	179.3	-98.3	0	0	0	112.3	E73 D74 M75 F88 Y133	Y71-E73 PolarHBondContact O-N 3.46Å; Y71-D74 PolarHBondContact O-N 2.91Å; Y71-M75 HydrophobicContact CD1-CG 4.09Å; Y71-M75 HydrophobicContact CD2-CG 4.13Å; Y71-M75 HydrophobicContact CE1-CG 3.72Å; Y71-M75 HydrophobicContact CE2-CE 4.25Å; Y71-M75 HydrophobicContact CE2-CG 3.78Å; Y71-M75 HydrophobicContact CE2-SD 4.11Å; Y71-M75 HydrophobicContact CG-CG 4.29Å; Y71-M75 VanDerWaalsContact O-CB 3.24Å; Y71-M75 WeakPolarHBondContact O-CB 3.49Å; Y71-M75 WeakPolarHBondContact O-CG 3.26Å; Y71-M75 PolarHBondContact O-N 3.44Å; Y71-F88 WeakPolarHBondContact OH-CZ 3.18Å; Y71-Y133 HydrophobicContact CD2-CD1 4.13Å; Y71-Y133 AromaticContact CD2-CD2 3.51Å; Y71-Y133 HydrophobicContact CD2-CD2 3.51Å; Y71-Y133 HydrophobicContact CD2-CE1 4.3Å; Y71-Y133 AromaticContact CD2-CE2 3.69Å; Y71-Y133 HydrophobicContact CD2-CE2 3.69Å; Y71-Y133 AromaticContact CD2-CG 3.73Å; Y71-Y133 HydrophobicContact CD2-CG 3.73Å; Y71-Y133 HydrophobicContact CE2-CD2 4.12Å; Y71-Y133 HydrophobicContact CE2-CE2 4.41Å
72	S	61.4	Low	68.2	Low	85 Å²	85	69 Å²	69	59%	0.594	39%	0.394	S	S	*	.	H	α-helix	trans	-64.1	-41.9	-177.3	-170.8	0	0	0	0	112.2	N70 S76	N70-S72 VanDerWaalsContact C-N 3.27Å; N70-S72 PolarHBondContact O-N 3.27Å; N70-S72 PolarHBondContact OD1-N 3.34Å; S72-S76 VanDerWaalsContact O-CB 3.28Å; S72-S76 WeakPolarHBondContact O-CB 3.31Å; S72-S76 PolarHBondContact O-N 3.29Å; S72-S76 PolarHBondContact O-OG 3.34Å
73	E	64.2	Low	66.1	Low	71 Å²	71	69.4 Å²	69.4	33%	0.332	40%	0.395	S	S	.	.	H	α-helix	trans	-73.4	-39.7	179.1	-174.5	-170.7	158.6	0	0	112.7	N70 Y71 M75 S76 K77	N70-E73 HydrophobicContact CB-CB 3.84Å; N70-E73 VanDerWaalsContact CG-CB 3.4Å; N70-E73 WeakPolarHBondContact ND2-CB 3.36Å; N70-E73 PolarHBondContact ND2-OE2 3.38Å; N70-E73 PolarHBondContact O-N 2.9Å; N70-E73 VanDerWaalsContact O-N 3.16Å; N70-E73 PolarHBondContact OD1-N 3.21Å; N70-E73 VanDerWaalsContact OD1-N 3.14Å; Y71-E73 PolarHBondContact O-N 3.46Å; E73-M75 VanDerWaalsContact C-N 3.32Å; E73-S76 WeakPolarHBondContact CA-OG 3.06Å; E73-S76 PolarHBondContact O-N 2.89Å; E73-S76 PolarHBondContact O-OG 2.91Å; E73-K77 HydrophobicContact CG-CD 4.5Å; E73-K77 WeakPolarHBondContact O-CB 3.18Å; E73-K77 WeakPolarHBondContact O-CG 3.18Å; E73-K77 PolarHBondContact O-N 2.93Å; E73-K77 VanDerWaalsContact OE1-CE 3.24Å; E73-K77 WeakPolarHBondContact OE1-CE 3.3Å; E73-K77 IonicContact OE1-NZ 2.61Å; E73-K77 PolarHBondContact OE1-NZ 2.73Å
74	D	64	Low	64.3	Low	13 Å²	13	68.5 Å²	68.5	7%	0.07	38%	0.379	C	S	.	.	H	α-helix	trans	-66.3	-38.8	175.5	-74.2	-55.7	0	0	0	110.7	T68 N70 Y71 L78 Y133 K137	T68-D74 VanDerWaalsContact O-OD2 3.1Å; T68-D74 PolarHBondContact OG1-OD1 3.48Å; N70-D74 WeakPolarHBondContact O-CB 3.3Å; N70-D74 PolarHBondContact O-N 3.19Å; N70-D74 VanDerWaalsContact O-OD2 3.09Å; Y71-D74 PolarHBondContact O-N 2.91Å; D74-L78 WeakPolarHBondContact O-CG 3.34Å; D74-L78 PolarHBondContact O-N 3.35Å; D74-Y133 WeakPolarHBondContact CB-OH 3.29Å; D74-Y133 PolarHBondContact OD2-OH 3.1Å; D74-K137 VanDerWaalsContact CG-NZ 3.31Å; D74-K137 IonicContact OD1-NZ 3.14Å; D74-K137 PolarHBondContact OD1-NZ 3.4Å; D74-K137 IonicContact OD2-NZ 2.76Å
75	M	54.1	Low	62.8	Low	39 Å²	39	75.1 Å²	75.1	19%	0.192	41%	0.409	C	S	.	.	H	α-helix	trans	-67.9	-34.1	171	-70.2	-55.3	102.6	0	0	112	Y71 E73 L78 S79 F88	Y71-M75 HydrophobicContact CD1-CG 4.09Å; Y71-M75 HydrophobicContact CD2-CG 4.13Å; Y71-M75 HydrophobicContact CE1-CG 3.72Å; Y71-M75 HydrophobicContact CE2-CE 4.25Å; Y71-M75 HydrophobicContact CE2-CG 3.78Å; Y71-M75 HydrophobicContact CE2-SD 4.11Å; Y71-M75 HydrophobicContact CG-CG 4.29Å; Y71-M75 VanDerWaalsContact O-CB 3.24Å; Y71-M75 WeakPolarHBondContact O-CB 3.49Å; Y71-M75 WeakPolarHBondContact O-CG 3.26Å; Y71-M75 PolarHBondContact O-N 3.44Å; E73-M75 VanDerWaalsContact C-N 3.32Å; M75-L78 HydrophobicContact CE-CD1 3.7Å; M75-L78 CarbonylContact O-C 3.42Å; M75-L78 WeakPolarHBondContact O-CB 3.1Å; M75-L78 PolarHBondContact O-N 3.04Å; M75-L78 HydrophobicContact SD-CD1 4.29Å; M75-S79 WeakPolarHBondContact O-CB 3.12Å; M75-S79 PolarHBondContact O-N 3.19Å; M75-F88 HydrophobicContact SD-CE2 4.26Å; M75-F88 HydrophobicContact SD-CZ 3.95Å
76	S	52.2	Low	61.5	Low	59 Å²	59	71.1 Å²	71.1	41%	0.413	39%	0.393	S	S	.	.	H	α-helix	trans	-75.6	-30.9	179.6	74	0	0	0	0	113.5	S72 E73 L78 S79 G80	S72-S76 VanDerWaalsContact O-CB 3.28Å; S72-S76 WeakPolarHBondContact O-CB 3.31Å; S72-S76 PolarHBondContact O-N 3.29Å; S72-S76 PolarHBondContact O-OG 3.34Å; E73-S76 WeakPolarHBondContact CA-OG 3.06Å; E73-S76 PolarHBondContact O-N 2.89Å; E73-S76 PolarHBondContact O-OG 2.91Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-S79 WeakPolarHBondContact CA-OG 3.07Å; S76-S79 CarbonylContact O-C 3.58Å; S76-S79 WeakPolarHBondContact O-CA 2.95Å; S76-S79 PolarHBondContact O-N 3.26Å; S76-S79 PolarHBondContact O-OG 3.04Å; S76-G80 PolarHBondContact O-N 2.02Å; S76-G80 VanDerWaalsContact O-N 3.15Å
77	K	54.7	Low	60.1	Low	127 Å²	127	69.8 Å²	69.8	55%	0.552	39%	0.385	S	S	*	.	H	α-helix	trans	-63.8	-35.8	169.3	-74.9	170.8	-174.7	163.9	0	111.5	E73	E73-K77 HydrophobicContact CG-CD 4.5Å; E73-K77 WeakPolarHBondContact O-CB 3.18Å; E73-K77 WeakPolarHBondContact O-CG 3.18Å; E73-K77 PolarHBondContact O-N 2.93Å; E73-K77 VanDerWaalsContact OE1-CE 3.24Å; E73-K77 WeakPolarHBondContact OE1-CE 3.3Å; E73-K77 IonicContact OE1-NZ 2.61Å; E73-K77 PolarHBondContact OE1-NZ 2.73Å
78	L	47.7	Very low	58.9	Low	79 Å²	79	73.9 Å²	73.9	41%	0.414	40%	0.402	S	S	.	.	H	α-helix	trans	-72.2	-31.9	168.1	-65.8	166.5	0	0	0	111.5	D74 M75 S76 G80 M81	D74-L78 WeakPolarHBondContact O-CG 3.34Å; D74-L78 PolarHBondContact O-N 3.35Å; M75-L78 HydrophobicContact CE-CD1 3.7Å; M75-L78 CarbonylContact O-C 3.42Å; M75-L78 WeakPolarHBondContact O-CB 3.1Å; M75-L78 PolarHBondContact O-N 3.04Å; M75-L78 HydrophobicContact SD-CD1 4.29Å; S76-L78 VanDerWaalsContact C-N 3.28Å; L78-G80 VanDerWaalsContact C-N 3.29Å; L78-G80 PolarHBondContact O-N 2.66Å; L78-M81 PolarHBondContact O-N 3.07Å
79	S	40.4	Very low	58.2	Low	58 Å²	58	77.4 Å²	77.4	41%	0.406	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	2.5	-178.1	91.8	0	0	0	0	115.5	M75 S76 M81	M75-S79 WeakPolarHBondContact O-CB 3.12Å; M75-S79 PolarHBondContact O-N 3.19Å; S76-S79 WeakPolarHBondContact CA-OG 3.07Å; S76-S79 CarbonylContact O-C 3.58Å; S76-S79 WeakPolarHBondContact O-CA 2.95Å; S76-S79 PolarHBondContact O-N 3.26Å; S76-S79 PolarHBondContact O-OG 3.04Å; S79-M81 CarbonylContact C-O 3.56Å; S79-M81 VanDerWaalsContact CA-O 3.31Å; S79-M81 WeakPolarHBondContact CA-O 3.45Å; S79-M81 PolarHBondContact O-N 2.76Å; S79-M81 VanDerWaalsContact O-N 3.1Å
80	G	48.3	Very low	57.6	Low	75 Å²	75	75.3 Å²	75.3	77%	0.773	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-17.5	159.2	0	0	0	0	0	111.5	S76 L78	S76-G80 PolarHBondContact O-N 2.02Å; S76-G80 VanDerWaalsContact O-N 3.15Å; L78-G80 VanDerWaalsContact C-N 3.29Å; L78-G80 PolarHBondContact O-N 2.66Å
81	M	41.7	Very low	57.3	Low	109 Å²	109	73.6 Å²	73.6	54%	0.537	39%	0.393	S	S	.	.	S	Bend	trans	-115.6	146.5	170.8	-67.7	152.7	127.6	0	0	109.3	L78 S79 M83	L78-M81 PolarHBondContact O-N 3.07Å; S79-M81 CarbonylContact C-O 3.56Å; S79-M81 VanDerWaalsContact CA-O 3.31Å; S79-M81 WeakPolarHBondContact CA-O 3.45Å; S79-M81 PolarHBondContact O-N 2.76Å; S79-M81 VanDerWaalsContact O-N 3.1Å; M81-M83 HydrophobicContact CB-CB 3.8Å; M81-M83 HydrophobicContact CB-CE 4.44Å; M81-M83 HydrophobicContact CB-CG 3.59Å; M81-M83 HydrophobicContact CB-SD 3.95Å; M81-M83 HydrophobicContact CE-CE 3.5Å; M81-M83 VanDerWaalsContact CE-CE 3.5Å; M81-M83 HydrophobicContact CG-CE 4.36Å; M81-M83 HydrophobicContact CG-CG 4.48Å; M81-M83 HydrophobicContact CG-SD 4.38Å; M81-M83 PolarHBondContact O-N 2.94Å; M81-M83 HydrophobicContact SD-CE 3.23Å; M81-M83 WeakPolarHBondContact SD-CE 3.29Å; M81-M83 HydrophobicContact SD-CG 4.37Å; M81-M83 HydrophobicContact SD-SD 3.59Å
82	N	48.9	Very low	57.4	Low	138 Å²	138	70.1 Å²	70.1	74%	0.738	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	1.5	164.6	-83.9	-22.1	0	0	0	113.7	S84 E85 T86	N82-S84 VanDerWaalsContact C-N 3.29Å; N82-S84 PolarHBondContact O-N 2.91Å; N82-E85 PolarHBondContact O-N 3.23Å; N82-T86 PolarHBondContact O-N 2.88Å; N82-T86 PolarHBondContact O-OG1 3.49Å
83	M	48.9	Very low	58	Low	21 Å²	21	69.6 Å²	69.6	10%	0.103	38%	0.381	C	S	.	.	H	α-helix	trans	-46.8	-38.1	171.9	-85.1	-175.4	-173.4	0	0	114.8	M81 Y87 D228 V229	M81-M83 HydrophobicContact CB-CB 3.8Å; M81-M83 HydrophobicContact CB-CE 4.44Å; M81-M83 HydrophobicContact CB-CG 3.59Å; M81-M83 HydrophobicContact CB-SD 3.95Å; M81-M83 HydrophobicContact CE-CE 3.5Å; M81-M83 VanDerWaalsContact CE-CE 3.5Å; M81-M83 HydrophobicContact CG-CE 4.36Å; M81-M83 HydrophobicContact CG-CG 4.48Å; M81-M83 HydrophobicContact CG-SD 4.38Å; M81-M83 PolarHBondContact O-N 2.94Å; M81-M83 HydrophobicContact SD-CE 3.23Å; M81-M83 WeakPolarHBondContact SD-CE 3.29Å; M81-M83 HydrophobicContact SD-CG 4.37Å; M81-M83 HydrophobicContact SD-SD 3.59Å; M83-Y87 WeakPolarHBondContact O-CA 3.18Å; M83-Y87 WeakPolarHBondContact O-CB 3.47Å; M83-Y87 PolarHBondContact O-N 2.85Å; M83-D228 WeakPolarHBondContact CE-O 3.42Å; M83-D228 HydrophobicContact CG-CB 3.9Å; M83-V229 HydrophobicContact CE-CG2 4.19Å
84	S	56.4	Low	58.3	Low	38 Å²	38	66.5 Å²	66.5	27%	0.266	37%	0.367	S	S	.	.	H	α-helix	trans	-66	-46.2	-173.1	67.6	0	0	0	0	111.7	N82 F88	N82-S84 VanDerWaalsContact C-N 3.29Å; N82-S84 PolarHBondContact O-N 2.91Å; S84-F88 WeakPolarHBondContact O-CD2 3.19Å; S84-F88 PolarHBondContact O-N 3.34Å
85	E	60	Low	58.6	Low	153 Å²	153	69.6 Å²	69.6	72%	0.715	38%	0.383	S	S	*	.	H	α-helix	trans	-69	-45.1	177.5	-168	177.3	177.8	0	0	111.4	N82 Y87 F88 K89	N82-E85 PolarHBondContact O-N 3.23Å; E85-Y87 VanDerWaalsContact C-N 3.34Å; E85-Y87 PolarHBondContact O-N 3.46Å; E85-F88 PolarHBondContact O-N 3.16Å; E85-K89 WeakPolarHBondContact O-CB 3.36Å; E85-K89 PolarHBondContact O-N 3.01Å
86	T	64.9	Low	59.4	Low	40 Å²	40	74.2 Å²	74.2	25%	0.245	40%	0.402	C	S	.	.	H	α-helix	trans	-59.1	-46.3	175.2	-55.9	0	0	0	0	110.8	N82 K89 C90 D228	N82-T86 PolarHBondContact O-N 2.88Å; N82-T86 PolarHBondContact O-OG1 3.49Å; T86-K89 CarbonylContact O-C 3.59Å; T86-K89 WeakPolarHBondContact O-CB 3.49Å; T86-K89 PolarHBondContact O-N 3.34Å; T86-C90 WeakPolarHBondContact O-CB 3.13Å; T86-C90 PolarHBondContact O-N 3.34Å; T86-C90 PolarHBondContact O-SG 3.44Å; T86-D228 WeakPolarHBondContact CB-OD2 3.25Å; T86-D228 WeakPolarHBondContact CG2-OD2 3.44Å; T86-D228 PolarHBondContact OG1-OD2 3.08Å
87	Y	62.7	Low	60.5	Low	69 Å²	69	75.1 Å²	75.1	27%	0.271	40%	0.402	S	S	.	.	H	α-helix	trans	-58.3	-54	178.6	173.1	-99.9	0	0	0	111.8	M83 E85 K89 C90 V91 L225 M238	M83-Y87 WeakPolarHBondContact O-CA 3.18Å; M83-Y87 WeakPolarHBondContact O-CB 3.47Å; M83-Y87 PolarHBondContact O-N 2.85Å; E85-Y87 VanDerWaalsContact C-N 3.34Å; E85-Y87 PolarHBondContact O-N 3.46Å; Y87-K89 PolarHBondContact O-N 3.39Å; Y87-C90 PolarHBondContact O-N 2.72Å; Y87-C90 VanDerWaalsContact O-N 3.11Å; Y87-V91 HydrophobicContact CD1-CG2 4.4Å; Y87-V91 HydrophobicContact CD2-CG2 4.1Å; Y87-V91 HydrophobicContact CE1-CG2 3.99Å; Y87-V91 HydrophobicContact CE2-CG2 3.64Å; Y87-V91 HydrophobicContact CG-CG2 4.45Å; Y87-V91 WeakPolarHBondContact O-CG2 3.42Å; Y87-V91 PolarHBondContact O-N 2.76Å; Y87-L225 HydrophobicContact CD2-CD2 4.05Å; Y87-M238 HydrophobicContact CD2-CE 3.27Å; Y87-M238 HydrophobicContact CE2-CE 3.25Å
88	F	63.2	Low	61.4	Low	90 Å²	90	70.6 Å²	70.6	40%	0.395	38%	0.383	S	S	.	.	H	α-helix	trans	-62.1	-35.8	179.6	-74.8	-59.3	0	0	0	111.6	Y71 M75 S84 E85 G92	Y71-F88 WeakPolarHBondContact OH-CZ 3.18Å; M75-F88 HydrophobicContact SD-CE2 4.26Å; M75-F88 HydrophobicContact SD-CZ 3.95Å; S84-F88 WeakPolarHBondContact O-CD2 3.19Å; S84-F88 PolarHBondContact O-N 3.34Å; E85-F88 PolarHBondContact O-N 3.16Å; F88-G92 WeakPolarHBondContact O-CA 3.17Å; F88-G92 PolarHBondContact O-N 3.24Å
89	K	68.5	Low	62.6	Low	136 Å²	136	69 Å²	69	59%	0.591	38%	0.377	S	S	*	.	H	α-helix	trans	-65.4	-43.6	173.2	-176	-179.7	178.3	-176.4	0	111.9	E85 T86 Y87 G92 N93	E85-K89 WeakPolarHBondContact O-CB 3.36Å; E85-K89 PolarHBondContact O-N 3.01Å; T86-K89 CarbonylContact O-C 3.59Å; T86-K89 WeakPolarHBondContact O-CB 3.49Å; T86-K89 PolarHBondContact O-N 3.34Å; Y87-K89 PolarHBondContact O-N 3.39Å; K89-G92 PolarHBondContact O-N 3.43Å; K89-N93 WeakPolarHBondContact O-CB 3.41Å; K89-N93 PolarHBondContact O-N 2.84Å; K89-N93 PolarHBondContact O-ND2 2.91Å
90	C	68.1	Low	64.4	Low	1 Å²	1	68.4 Å²	68.4	1%	0.007	37%	0.372	C	S	.	.	H	α-helix	trans	-66.2	-46.7	179.2	-67.6	0	0	0	0	112.2	T86 Y87 N93 T94 C224 L225	T86-C90 WeakPolarHBondContact O-CB 3.13Å; T86-C90 PolarHBondContact O-N 3.34Å; T86-C90 PolarHBondContact O-SG 3.44Å; Y87-C90 PolarHBondContact O-N 2.72Å; Y87-C90 VanDerWaalsContact O-N 3.11Å; C90-N93 PolarHBondContact O-N 2.85Å; C90-T94 WeakPolarHBondContact O-CB 3.48Å; C90-T94 PolarHBondContact O-N 3.45Å; C90-T94 PolarHBondContact O-OG1 2.93Å; C90-C224 WeakPolarHBondContact CA-SG 3.45Å; C90-C224 HydrophobicContact CB-CB 3.69Å; C90-C224 WeakPolarHBondContact CB-SG 3.36Å; C90-C224 WeakPolarHBondContact SG-CB 3.44Å; C90-C224 PolarHBondContact SG-O 3.29Å; C90-C224 CovalentContact SG-SG 2.02Å; C90-C224 PolarHBondContact SG-SG 3.45Å; C90-L225 HydrophobicContact CB-CD2 4.2Å; C90-L225 HydrophobicContact CB-CG 4.29Å
91	V	68	Low	65.7	Low	36 Å²	36	68.3 Å²	68.3	22%	0.218	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-46.1	174.2	172.8	0	0	0	0	110	Y87 N93 T94 I95 M221	Y87-V91 HydrophobicContact CD1-CG2 4.4Å; Y87-V91 HydrophobicContact CD2-CG2 4.1Å; Y87-V91 HydrophobicContact CE1-CG2 3.99Å; Y87-V91 HydrophobicContact CE2-CG2 3.64Å; Y87-V91 HydrophobicContact CG-CG2 4.45Å; Y87-V91 WeakPolarHBondContact O-CG2 3.42Å; Y87-V91 PolarHBondContact O-N 2.76Å; V91-N93 PolarHBondContact O-N 3.11Å; V91-T94 PolarHBondContact O-N 2.98Å; V91-I95 HydrophobicContact CG1-CD1 3.67Å; V91-I95 HydrophobicContact CG1-CG1 4.33Å; V91-I95 WeakPolarHBondContact O-CB 3.22Å; V91-I95 VanDerWaalsContact O-CG1 3.3Å; V91-I95 WeakPolarHBondContact O-CG1 3.37Å; V91-I95 PolarHBondContact O-N 3.06Å; V91-M221 HydrophobicContact CG2-SD 4.22Å
92	G	66.9	Low	67.4	Low	36 Å²	36	63.4 Å²	63.4	37%	0.371	33%	0.329	S	S	.	.	H	α-helix	trans	-59.1	-44.5	177.7	0	0	0	0	0	112.9	F88 K89 K96	F88-G92 WeakPolarHBondContact O-CA 3.17Å; F88-G92 PolarHBondContact O-N 3.24Å; K89-G92 PolarHBondContact O-N 3.43Å; G92-K96 VanDerWaalsContact O-CB 3.28Å; G92-K96 WeakPolarHBondContact O-CB 3.08Å; G92-K96 PolarHBondContact O-N 3.36Å
93	N	73.8	Confident	68.7	Low	74 Å²	74	59.4 Å²	59.4	40%	0.396	31%	0.306	S	S	.	.	H	α-helix	trans	-64.8	-43.9	175.3	-72.6	-19.2	0	0	0	111.6	K89 C90 V91 I95 K96 D97	K89-N93 WeakPolarHBondContact O-CB 3.41Å; K89-N93 PolarHBondContact O-N 2.84Å; K89-N93 PolarHBondContact O-ND2 2.91Å; C90-N93 PolarHBondContact O-N 2.85Å; V91-N93 PolarHBondContact O-N 3.11Å; N93-I95 PolarHBondContact O-N 3.31Å; N93-K96 WeakPolarHBondContact O-CB 2.95Å; N93-K96 PolarHBondContact O-N 2.78Å; N93-D97 VanDerWaalsContact O-CG 3.31Å; N93-D97 PolarHBondContact O-N 2.8Å
94	T	71.1	Confident	70.3	Confident	5 Å²	5	65.9 Å²	65.9	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-62	-45.5	179.2	-57.8	0	0	0	0	111.3	C90 V91 D97 M98 H217 L242	C90-T94 WeakPolarHBondContact O-CB 3.48Å; C90-T94 PolarHBondContact O-N 3.45Å; C90-T94 PolarHBondContact O-OG1 2.93Å; V91-T94 PolarHBondContact O-N 2.98Å; T94-D97 PolarHBondContact O-N 2.72Å; T94-M98 HydrophobicContact CG2-CE 3.97Å; T94-M98 WeakPolarHBondContact O-CG 3.42Å; T94-M98 PolarHBondContact O-N 3.24Å; T94-H217 HydrophobicContact CG2-CB 3.94Å; T94-L242 HydrophobicContact CG2-CD2 4.18Å
95	I	69.7	Low	71.5	Confident	78 Å²	78	65.6 Å²	65.6	40%	0.4	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-44.7	175.2	-68.4	169.6	0	0	0	110.2	V91 N93 D97 M98 V99	V91-I95 HydrophobicContact CG1-CD1 3.67Å; V91-I95 HydrophobicContact CG1-CG1 4.33Å; V91-I95 WeakPolarHBondContact O-CB 3.22Å; V91-I95 VanDerWaalsContact O-CG1 3.3Å; V91-I95 WeakPolarHBondContact O-CG1 3.37Å; V91-I95 PolarHBondContact O-N 3.06Å; N93-I95 PolarHBondContact O-N 3.31Å; I95-D97 VanDerWaalsContact C-N 3.29Å; I95-D97 PolarHBondContact O-N 2.87Å; I95-M98 PolarHBondContact O-N 3.31Å; I95-V99 HydrophobicContact CG2-CG2 4.2Å; I95-V99 WeakPolarHBondContact O-CB 3.39Å; I95-V99 VanDerWaalsContact O-CG2 3.26Å; I95-V99 WeakPolarHBondContact O-CG2 3.47Å; I95-V99 PolarHBondContact O-N 3.49Å
96	K	71.8	Confident	72.3	Confident	137 Å²	137	58.3 Å²	58.3	60%	0.596	30%	0.297	S	S	*	.	H	α-helix	trans	-60	-40.4	178.3	-175.2	-179.5	178.2	-176.4	0	111.9	G92 N93 S100	G92-K96 VanDerWaalsContact O-CB 3.28Å; G92-K96 WeakPolarHBondContact O-CB 3.08Å; G92-K96 PolarHBondContact O-N 3.36Å; N93-K96 WeakPolarHBondContact O-CB 2.95Å; N93-K96 PolarHBondContact O-N 2.78Å; K96-S100 VanDerWaalsContact O-CB 3.28Å; K96-S100 WeakPolarHBondContact O-CB 3.33Å; K96-S100 PolarHBondContact O-N 2.76Å; K96-S100 PolarHBondContact O-OG 3.42Å
97	D	75	Confident	73.1	Confident	77 Å²	77	57.9 Å²	57.9	41%	0.412	30%	0.298	S	S	.	.	H	α-helix	trans	-66.8	-44.7	177.8	-72.5	-13.1	0	0	0	111.5	N93 T94 I95 S100 M101	N93-D97 VanDerWaalsContact O-CG 3.31Å; N93-D97 PolarHBondContact O-N 2.8Å; T94-D97 PolarHBondContact O-N 2.72Å; I95-D97 VanDerWaalsContact C-N 3.29Å; I95-D97 PolarHBondContact O-N 2.87Å; D97-S100 PolarHBondContact O-N 3.38Å; D97-M101 WeakPolarHBondContact O-CB 2.95Å; D97-M101 PolarHBondContact O-N 2.97Å
98	M	73.4	Confident	74.1	Confident	33 Å²	33	58.5 Å²	58.5	16%	0.163	32%	0.317	C	S	.	.	H	α-helix	trans	-60	-47.7	174.8	-71.3	177.8	176.8	0	0	111.8	T94 I95 S100 M101 A102 I214 H217 L242	T94-M98 HydrophobicContact CG2-CE 3.97Å; T94-M98 WeakPolarHBondContact O-CG 3.42Å; T94-M98 PolarHBondContact O-N 3.24Å; I95-M98 PolarHBondContact O-N 3.31Å; M98-S100 VanDerWaalsContact C-N 3.32Å; M98-S100 PolarHBondContact O-N 2.92Å; M98-M101 PolarHBondContact O-N 3.18Å; M98-A102 PolarHBondContact O-N 2.98Å; M98-I214 HydrophobicContact CE-CD1 3.26Å; M98-H217 HydrophobicContact CE-CB 3.37Å; M98-L242 HydrophobicContact CE-CD2 3.81Å
99	V	73.5	Confident	74.9	Confident	46 Å²	46	59.3 Å²	59.3	28%	0.279	32%	0.322	S	S	.	.	H	α-helix	trans	-60.9	-43.7	177.5	171	0	0	0	0	110.4	I95 M101 A102 E103 F115	I95-V99 HydrophobicContact CG2-CG2 4.2Å; I95-V99 WeakPolarHBondContact O-CB 3.39Å; I95-V99 VanDerWaalsContact O-CG2 3.26Å; I95-V99 WeakPolarHBondContact O-CG2 3.47Å; I95-V99 PolarHBondContact O-N 3.49Å; V99-M101 VanDerWaalsContact C-N 3.33Å; V99-M101 PolarHBondContact O-N 3.45Å; V99-A102 PolarHBondContact O-N 3.16Å; V99-E103 WeakPolarHBondContact O-CB 3.37Å; V99-E103 PolarHBondContact O-N 2.7Å; V99-F115 HydrophobicContact CG1-CD2 3.65Å; V99-F115 HydrophobicContact CG1-CE2 4.2Å; V99-F115 HydrophobicContact CG1-CG 4.38Å
100	S	76.9	Confident	75.1	Confident	45 Å²	45	54.4 Å²	54.4	32%	0.315	30%	0.302	S	S	.	.	H	α-helix	trans	-65.1	-36	178.6	-59.4	0	0	0	0	112.5	K96 D97 M98 K104	K96-S100 VanDerWaalsContact O-CB 3.28Å; K96-S100 WeakPolarHBondContact O-CB 3.33Å; K96-S100 PolarHBondContact O-N 2.76Å; K96-S100 PolarHBondContact O-OG 3.42Å; D97-S100 PolarHBondContact O-N 3.38Å; M98-S100 VanDerWaalsContact C-N 3.32Å; M98-S100 PolarHBondContact O-N 2.92Å; S100-K104 VanDerWaalsContact O-CG 3.3Å; S100-K104 WeakPolarHBondContact O-CG 3.46Å; S100-K104 PolarHBondContact O-N 3.13Å; S100-K104 VanDerWaalsContact O-N 3.08Å
101	M	77.2	Confident	75.4	Confident	73 Å²	73	60 Å²	60	36%	0.36	34%	0.338	S	S	.	.	H	α-helix	trans	-67.6	-48.4	176.1	-174.4	-177.2	-64.4	0	0	111.1	D97 M98 V99 E103 K104 C105 V212	D97-M101 WeakPolarHBondContact O-CB 2.95Å; D97-M101 PolarHBondContact O-N 2.97Å; M98-M101 PolarHBondContact O-N 3.18Å; V99-M101 VanDerWaalsContact C-N 3.33Å; V99-M101 PolarHBondContact O-N 3.45Å; M101-E103 VanDerWaalsContact C-N 3.29Å; M101-E103 PolarHBondContact O-N 3.22Å; M101-K104 PolarHBondContact O-N 3.22Å; M101-C105 WeakPolarHBondContact O-CB 3.08Å; M101-C105 PolarHBondContact O-N 2.99Å; M101-V212 HydrophobicContact SD-CG2 4.23Å
102	A	76.7	Confident	75.4	Confident	6 Å²	6	60.7 Å²	60.7	5%	0.05	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-41.2	176.4	0	0	0	0	0	111.2	M98 V99 C105 I106 F115	M98-A102 PolarHBondContact O-N 2.98Å; V99-A102 PolarHBondContact O-N 3.16Å; A102-C105 PolarHBondContact O-N 3.17Å; A102-I106 VanDerWaalsContact O-CG1 3.23Å; A102-I106 WeakPolarHBondContact O-CG1 3Å; A102-I106 PolarHBondContact O-N 2.93Å; A102-F115 HydrophobicContact CB-CE2 4.08Å; A102-F115 HydrophobicContact CB-CZ 4.28Å
103	E	75.5	Confident	75.5	Confident	54 Å²	54	59.8 Å²	59.8	25%	0.252	34%	0.339	S	S	.	.	H	α-helix	trans	-61.3	-48.7	177.9	-171.3	172.7	102.2	0	0	111.5	V99 M101 C105 I106 A107 F113 F115	V99-E103 WeakPolarHBondContact O-CB 3.37Å; V99-E103 PolarHBondContact O-N 2.7Å; M101-E103 VanDerWaalsContact C-N 3.29Å; M101-E103 PolarHBondContact O-N 3.22Å; E103-C105 VanDerWaalsContact C-N 3.33Å; E103-C105 PolarHBondContact O-N 3.44Å; E103-I106 PolarHBondContact O-N 3.18Å; E103-A107 WeakPolarHBondContact O-CB 3.48Å; E103-A107 PolarHBondContact O-N 3.45Å; E103-F113 HydrophobicContact CG-CD1 4.2Å; E103-F113 HydrophobicContact CG-CE1 4.34Å; E103-F115 HydrophobicContact CB-CD2 3.69Å; E103-F115 HydrophobicContact CB-CE2 3.75Å; E103-F115 HydrophobicContact CG-CD2 4.11Å; E103-F115 HydrophobicContact CG-CE2 4.48Å; E103-F115 PolarHBondContact OE2-N 2.87Å
104	K	82.6	Confident	75.1	Confident	157 Å²	157	60.8 Å²	60.8	68%	0.683	34%	0.341	S	S	*	.	H	α-helix	trans	-61.4	-41.3	178	-74.6	174.3	-177.5	177.9	0	112.3	S100 M101 A107 A108	S100-K104 VanDerWaalsContact O-CG 3.3Å; S100-K104 WeakPolarHBondContact O-CG 3.46Å; S100-K104 PolarHBondContact O-N 3.13Å; S100-K104 VanDerWaalsContact O-N 3.08Å; M101-K104 PolarHBondContact O-N 3.22Å; K104-A107 PolarHBondContact O-N 3.05Å; K104-A108 PolarHBondContact O-N 3Å; K104-A108 VanDerWaalsContact O-N 3.12Å
105	C	82	Confident	74.7	Confident	31 Å²	31	62 Å²	62	21%	0.209	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-45.6	177.1	173.8	0	0	0	0	111.4	M101 A102 E103 A108 C207	M101-C105 WeakPolarHBondContact O-CB 3.08Å; M101-C105 PolarHBondContact O-N 2.99Å; A102-C105 PolarHBondContact O-N 3.17Å; E103-C105 VanDerWaalsContact C-N 3.33Å; E103-C105 PolarHBondContact O-N 3.44Å; C105-A108 WeakPolarHBondContact O-CB 3.41Å; C105-A108 PolarHBondContact O-N 3.44Å; C105-C207 HydrophobicContact CB-CB 3.5Å; C105-C207 WeakPolarHBondContact CB-SG 3.48Å; C105-C207 WeakPolarHBondContact SG-CA 3.37Å; C105-C207 WeakPolarHBondContact SG-CB 3.35Å; C105-C207 CovalentContact SG-SG 2.04Å; C105-C207 PolarHBondContact SG-SG 2.03Å
106	I	77	Confident	74.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-67.9	-41.5	178	-63.3	165.7	0	0	0	110.6	A102 E103 A108 E109 M110 F113 F115 L204 C207	A102-I106 VanDerWaalsContact O-CG1 3.23Å; A102-I106 WeakPolarHBondContact O-CG1 3Å; A102-I106 PolarHBondContact O-N 2.93Å; E103-I106 PolarHBondContact O-N 3.18Å; I106-A108 PolarHBondContact O-N 2.64Å; I106-E109 CarbonylContact O-C 3.44Å; I106-E109 PolarHBondContact O-N 2.82Å; I106-M110 HydrophobicContact CG2-CB 4.46Å; I106-M110 HydrophobicContact CG2-CE 3.51Å; I106-M110 PolarHBondContact O-N 3.04Å; I106-F113 HydrophobicContact CB-CD1 3.66Å; I106-F113 HydrophobicContact CB-CE1 3.84Å; I106-F113 HydrophobicContact CB-CG 4.21Å; I106-F113 HydrophobicContact CD1-CD1 4.43Å; I106-F113 HydrophobicContact CD1-CE1 3.71Å; I106-F113 HydrophobicContact CD1-CZ 3.95Å; I106-F113 HydrophobicContact CG1-CE1 4.4Å; I106-F113 HydrophobicContact CG2-CB 4.1Å; I106-F113 HydrophobicContact CG2-CD1 3.42Å; I106-F113 VanDerWaalsContact CG2-CD1 3.42Å; I106-F113 HydrophobicContact CG2-CD2 3.81Å; I106-F113 HydrophobicContact CG2-CE1 3.71Å; I106-F113 HydrophobicContact CG2-CE2 4.09Å; I106-F113 HydrophobicContact CG2-CG 3.46Å; I106-F113 VanDerWaalsContact CG2-CG 3.46Å; I106-F113 HydrophobicContact CG2-CZ 4.03Å; I106-F115 HydrophobicContact CD1-CE1 4.29Å; I106-F115 HydrophobicContact CD1-CZ 3.7Å; I106-L204 HydrophobicContact CD1-CB 4.36Å; I106-L204 HydrophobicContact CD1-CD1 3.76Å; I106-C207 HydrophobicContact CD1-CB 4.44Å; I106-C207 HydrophobicContact CG1-CB 3.8Å; I106-C207 PolarHBondContact N-SG 3Å
107	A	80.6	Confident	73.2	Confident	32 Å²	32	61.8 Å²	61.8	26%	0.264	34%	0.344	S	S	.	.	H	α-helix	trans	-64.4	-23.8	-179.8	0	0	0	0	0	113.5	E103 K104 E109 M110 P111 F113	E103-A107 WeakPolarHBondContact O-CB 3.48Å; E103-A107 PolarHBondContact O-N 3.45Å; K104-A107 PolarHBondContact O-N 3.05Å; A107-E109 VanDerWaalsContact C-N 3.31Å; A107-M110 WeakPolarHBondContact CA-O 3.47Å; A107-M110 CarbonylContact O-C 3.56Å; A107-P111 WeakPolarHBondContact O-CA 3.47Å; A107-F113 HydrophobicContact CB-CB 4.41Å
108	A	83.5	Confident	71.9	Confident	81 Å²	81	62.6 Å²	62.6	67%	0.669	35%	0.348	S	S	*	.	H	α-helix	trans	-67.1	-32.5	172.8	0	0	0	0	0	112.5	K104 C105 I106	K104-A108 PolarHBondContact O-N 3Å; K104-A108 VanDerWaalsContact O-N 3.12Å; C105-A108 WeakPolarHBondContact O-CB 3.41Å; C105-A108 PolarHBondContact O-N 3.44Å; I106-A108 PolarHBondContact O-N 2.64Å
109	E	80.8	Confident	70.1	Confident	107 Å²	107	63.8 Å²	63.8	50%	0.5	36%	0.358	S	S	.	.	H	α-helix	trans	-98.8	-22.1	-179.9	-64.5	-72.4	172.8	0	0	112.5	I106 A107 L203	I106-E109 CarbonylContact O-C 3.44Å; I106-E109 PolarHBondContact O-N 2.82Å; A107-E109 VanDerWaalsContact C-N 3.31Å; E109-L203 HydrophobicContact CB-CD1 3.92Å; E109-L203 HydrophobicContact CB-CD2 3.89Å; E109-L203 HydrophobicContact CG-CD2 3.8Å
110	M	73.4	Confident	68.2	Low	33 Å²	33	69.5 Å²	69.5	16%	0.163	38%	0.381	C	S	.	.	S	Bend	trans	-132.8	81.1	178.1	-58.2	-160.1	-45.6	0	0	110.1	I106 A107 G112 F113 T200 L203	I106-M110 HydrophobicContact CG2-CB 4.46Å; I106-M110 HydrophobicContact CG2-CE 3.51Å; I106-M110 PolarHBondContact O-N 3.04Å; A107-M110 WeakPolarHBondContact CA-O 3.47Å; A107-M110 CarbonylContact O-C 3.56Å; M110-G112 PolarHBondContact O-N 2.85Å; M110-F113 HydrophobicContact CB-CB 4.21Å; M110-F113 HydrophobicContact CE-CB 4.47Å; M110-F113 HydrophobicContact CE-CD2 3.63Å; M110-F113 HydrophobicContact CE-CE2 4.2Å; M110-F113 HydrophobicContact CE-CG 4.22Å; M110-F113 WeakPolarHBondContact O-CB 3.24Å; M110-F113 PolarHBondContact O-N 2.87Å; M110-T200 HydrophobicContact CE-CG2 4.1Å; M110-T200 PolarHBondContact SD-OG1 3.45Å; M110-L203 HydrophobicContact CG-CD1 3.81Å; M110-L203 HydrophobicContact SD-CD1 4Å
111	P	73.1	Confident	66.2	Low	119 Å²	119	75.2 Å²	75.2	77%	0.773	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	134	-179	-27.8	35.9	0	0	0	112.5	A107 F113	A107-P111 WeakPolarHBondContact O-CA 3.47Å; P111-F113 VanDerWaalsContact C-N 3.35Å
112	G	68.9	Low	63.8	Low	51 Å²	51	75 Å²	75	53%	0.526	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-9.3	-176.3	0	0	0	0	0	114.5	A19 M110 Q114	A19-G112 WeakPolarHBondContact CB-O 3.24Å; M110-G112 PolarHBondContact O-N 2.85Å; G112-Q114 PolarHBondContact O-N 3.48Å
113	F	68.7	Low	61.5	Low	17 Å²	17	80.7 Å²	80.7	8%	0.075	45%	0.454	C	S	.	.			trans	-58.2	132.2	174.4	-179.6	-93.9	0	0	0	112.2	Y15 E103 I106 A107 M110 P111 F115	Y15-F113 AromaticContact CD1-CE2 3.86Å; Y15-F113 HydrophobicContact CD1-CE2 3.86Å; Y15-F113 HydrophobicContact CE1-CD2 4.27Å; Y15-F113 AromaticContact CE1-CE2 3.42Å; Y15-F113 HydrophobicContact CE1-CE2 3.42Å; Y15-F113 VanDerWaalsContact CE1-CE2 3.42Å; Y15-F113 HydrophobicContact CE1-CZ 4.28Å; Y15-F113 AromaticContact CZ-CE2 3.95Å; E103-F113 HydrophobicContact CG-CD1 4.2Å; E103-F113 HydrophobicContact CG-CE1 4.34Å; I106-F113 HydrophobicContact CB-CD1 3.66Å; I106-F113 HydrophobicContact CB-CE1 3.84Å; I106-F113 HydrophobicContact CB-CG 4.21Å; I106-F113 HydrophobicContact CD1-CD1 4.43Å; I106-F113 HydrophobicContact CD1-CE1 3.71Å; I106-F113 HydrophobicContact CD1-CZ 3.95Å; I106-F113 HydrophobicContact CG1-CE1 4.4Å; I106-F113 HydrophobicContact CG2-CB 4.1Å; I106-F113 HydrophobicContact CG2-CD1 3.42Å; I106-F113 VanDerWaalsContact CG2-CD1 3.42Å; I106-F113 HydrophobicContact CG2-CD2 3.81Å; I106-F113 HydrophobicContact CG2-CE1 3.71Å; I106-F113 HydrophobicContact CG2-CE2 4.09Å; I106-F113 HydrophobicContact CG2-CG 3.46Å; I106-F113 VanDerWaalsContact CG2-CG 3.46Å; I106-F113 HydrophobicContact CG2-CZ 4.03Å; A107-F113 HydrophobicContact CB-CB 4.41Å; M110-F113 HydrophobicContact CB-CB 4.21Å; M110-F113 HydrophobicContact CE-CB 4.47Å; M110-F113 HydrophobicContact CE-CD2 3.63Å; M110-F113 HydrophobicContact CE-CE2 4.2Å; M110-F113 HydrophobicContact CE-CG 4.22Å; M110-F113 WeakPolarHBondContact O-CB 3.24Å; M110-F113 PolarHBondContact O-N 2.87Å; P111-F113 VanDerWaalsContact C-N 3.35Å; F113-F115 AromaticContact CE1-CD1 3.94Å; F113-F115 HydrophobicContact CE1-CD1 3.94Å; F113-F115 HydrophobicContact CE1-CD2 4.21Å; F113-F115 AromaticContact CE1-CE1 3.7Å; F113-F115 HydrophobicContact CE1-CE1 3.7Å; F113-F115 HydrophobicContact CE1-CE2 4.03Å; F113-F115 HydrophobicContact CE1-CG 4.19Å; F113-F115 AromaticContact CE1-CZ 3.77Å; F113-F115 HydrophobicContact CE1-CZ 3.77Å; F113-F115 AromaticContact CZ-CD1 3.64Å; F113-F115 HydrophobicContact CZ-CD1 3.64Å; F113-F115 AromaticContact CZ-CE1 3.4Å; F113-F115 HydrophobicContact CZ-CE1 3.4Å; F113-F115 VanDerWaalsContact CZ-CE1 3.4Å; F113-F115 HydrophobicContact CZ-CG 4.3Å; F113-F115 AromaticContact CZ-CZ 3.93Å; F113-F115 HydrophobicContact CZ-CZ 3.93Å
114	Q	65	Low	59.6	Low	95 Å²	95	80.7 Å²	80.7	44%	0.444	46%	0.464	S	S	.	.			trans	-145.3	140.4	171.8	-68.7	-178	-4.8	0	0	109.1	T18 G112 G116	T18-Q114 WeakPolarHBondContact OG1-CB 2.86Å; T18-Q114 PolarHBondContact OG1-OE1 2.81Å; G112-Q114 PolarHBondContact O-N 3.48Å; Q114-G116 PolarHBondContact O-N 3.44Å
115	F	63.7	Low	57.4	Low	29 Å²	29	77.9 Å²	77.9	13%	0.127	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-72.1	128	166.7	-64.1	-64	0	0	0	108.9	I11 V99 A102 E103 I106 F113 L204	I11-F115 HydrophobicContact CG2-CD1 3.94Å; I11-F115 HydrophobicContact CG2-CE1 3.41Å; I11-F115 VanDerWaalsContact CG2-CE1 3.41Å; I11-F115 HydrophobicContact CG2-CZ 4.3Å; V99-F115 HydrophobicContact CG1-CD2 3.65Å; V99-F115 HydrophobicContact CG1-CE2 4.2Å; V99-F115 HydrophobicContact CG1-CG 4.38Å; A102-F115 HydrophobicContact CB-CE2 4.08Å; A102-F115 HydrophobicContact CB-CZ 4.28Å; E103-F115 HydrophobicContact CB-CD2 3.69Å; E103-F115 HydrophobicContact CB-CE2 3.75Å; E103-F115 HydrophobicContact CG-CD2 4.11Å; E103-F115 HydrophobicContact CG-CE2 4.48Å; E103-F115 PolarHBondContact OE2-N 2.87Å; I106-F115 HydrophobicContact CD1-CE1 4.29Å; I106-F115 HydrophobicContact CD1-CZ 3.7Å; F113-F115 AromaticContact CE1-CD1 3.94Å; F113-F115 HydrophobicContact CE1-CD1 3.94Å; F113-F115 HydrophobicContact CE1-CD2 4.21Å; F113-F115 AromaticContact CE1-CE1 3.7Å; F113-F115 HydrophobicContact CE1-CE1 3.7Å; F113-F115 HydrophobicContact CE1-CE2 4.03Å; F113-F115 HydrophobicContact CE1-CG 4.19Å; F113-F115 AromaticContact CE1-CZ 3.77Å; F113-F115 HydrophobicContact CE1-CZ 3.77Å; F113-F115 AromaticContact CZ-CD1 3.64Å; F113-F115 HydrophobicContact CZ-CD1 3.64Å; F113-F115 AromaticContact CZ-CE1 3.4Å; F113-F115 HydrophobicContact CZ-CE1 3.4Å; F113-F115 VanDerWaalsContact CZ-CE1 3.4Å; F113-F115 HydrophobicContact CZ-CG 4.3Å; F113-F115 AromaticContact CZ-CZ 3.93Å; F113-F115 HydrophobicContact CZ-CZ 3.93Å; F115-L204 HydrophobicContact CE1-CD1 4.16Å; F115-L204 HydrophobicContact CZ-CD1 3.94Å
116	G	56.7	Low	55.6	Low	7 Å²	7	80.5 Å²	80.5	7%	0.072	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-51.4	147.4	161.6	0	0	0	0	0	111.3	A14 Q114 L118	A14-G116 VanDerWaalsContact O-CA 3.28Å; A14-G116 WeakPolarHBondContact O-CA 3.03Å; A14-G116 PolarHBondContact O-N 2.88Å; Q114-G116 PolarHBondContact O-N 3.44Å; G116-L118 PolarHBondContact O-N 2.65Å; G116-L118 VanDerWaalsContact O-N 3.16Å
117	K	53.6	Low	54.1	Low	205 Å²	205	86.4 Å²	86.4	89%	0.891	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-53.7	125.6	180	-65.7	-178	-179	179	0	108.9
118	L	46.1	Very low	52.4	Low	93 Å²	93	86.7 Å²	86.7	49%	0.487	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-53.1	133.1	168.2	-69.4	169.9	0	0	0	107.4	G116 H120	G116-L118 PolarHBondContact O-N 2.65Å; G116-L118 VanDerWaalsContact O-N 3.16Å; L118-H120 PolarHBondContact O-N 2.86Å
119	P	36.6	Very low	51.1	Low	59 Å²	59	85.9 Å²	85.9	38%	0.383	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-49.5	133.8	170.3	10.1	-18.8	0	0	0	108.5	L10 D123	L10-P119 HydrophobicContact CD2-CG 3.71Å; P119-D123 HydrophobicContact CB-CB 3.69Å
120	H	33.4	Very low	50.3	Low	166 Å²	166	84.1 Å²	84.1	77%	0.769	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-56.3	154.3	173.1	-91.5	-50.3	0	0	0	108.5	L118 G122 D123	L118-H120 PolarHBondContact O-N 2.86Å; H120-G122 PolarHBondContact O-N 3.41Å; H120-D123 PolarHBondContact O-N 3.48Å
121	N	34.3	Very low	49.8	Very low	165 Å²	165	84.8 Å²	84.8	88%	0.882	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-12.2	178.9	-74.8	-14.3	0	0	0	114.9
122	G	26.8	Very low	49.3	Very low	69 Å²	69	82.1 Å²	82.1	71%	0.711	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-13.2	175.9	0	0	0	0	0	117.2	H120	H120-G122 PolarHBondContact O-N 3.41Å
123	D	29.9	Very low	49.2	Very low	124 Å²	124	80.5 Å²	80.5	66%	0.663	45%	0.453	S	S	*	.	S	Bend	trans	-94.1	-9.9	-179.2	-67.4	-35.7	0	0	0	113.2	P119 H120 D125	P119-D123 HydrophobicContact CB-CB 3.69Å; H120-D123 PolarHBondContact O-N 3.48Å; D123-D125 PolarHBondContact O-N 2.92Å
124	A	34.7	Very low	49.5	Very low	55 Å²	55	79.8 Å²	79.8	46%	0.455	45%	0.45	S	S	.	.	S	Bend	trans	-67.7	116.2	166.1	0	0	0	0	0	107.2	S126	A124-S126 PolarHBondContact O-N 3.37Å
125	D	36.9	Very low	49.9	Very low	98 Å²	98	78.8 Å²	78.8	52%	0.524	45%	0.447	S	S	.	.			trans	-37.7	117.9	172.1	-109.4	-39	0	0	0	108.3	D123 N127 A128 S129	D123-D125 PolarHBondContact O-N 2.92Å; D125-N127 PolarHBondContact O-N 3.32Å; D125-A128 WeakPolarHBondContact O-CA 3.24Å; D125-A128 WeakPolarHBondContact O-CB 3.45Å; D125-A128 PolarHBondContact O-N 2.86Å; D125-S129 PolarHBondContact O-N 3.48Å
126	S	43.6	Very low	50.3	Low	85 Å²	85	81.8 Å²	81.8	59%	0.594	46%	0.462	S	S	*	.	H	α-helix	trans	-52.4	-27.7	-171.6	53.4	0	0	0	0	112.8	A124 S129 D130	A124-S126 PolarHBondContact O-N 3.37Å; S126-S129 WeakPolarHBondContact CA-OG 2.86Å; S126-S129 PolarHBondContact O-OG 3.33Å; S126-D130 PolarHBondContact O-N 2.91Å; S126-D130 VanDerWaalsContact O-N 3.1Å
127	N	45	Very low	51.2	Low	125 Å²	125	83.3 Å²	83.3	67%	0.668	47%	0.467	S	S	*	.	H	α-helix	trans	-66.6	-36.7	174.4	-65.4	-15.6	0	0	0	113.4	D125 D130 Y131	D125-N127 PolarHBondContact O-N 3.32Å; N127-D130 PolarHBondContact O-N 2.86Å; N127-Y131 WeakPolarHBondContact O-CB 3.2Å; N127-Y131 PolarHBondContact O-N 3.27Å
128	A	45.7	Very low	52.6	Low	37 Å²	37	74.2 Å²	74.2	31%	0.306	43%	0.428	S	S	.	.	H	α-helix	trans	-71.7	-36.3	177.9	0	0	0	0	0	111.7	D125 T132	D125-A128 WeakPolarHBondContact O-CA 3.24Å; D125-A128 WeakPolarHBondContact O-CB 3.45Å; D125-A128 PolarHBondContact O-N 2.86Å; A128-T132 WeakPolarHBondContact O-CB 2.92Å; A128-T132 PolarHBondContact O-N 2.88Å; A128-T132 PolarHBondContact O-OG1 3.38Å
129	S	56.8	Low	54.2	Low	65 Å²	65	72.4 Å²	72.4	46%	0.455	42%	0.423	S	S	.	.	H	α-helix	trans	-64.4	-43.1	172.2	47.1	0	0	0	0	111.6	D125 S126 T132 Y133	D125-S129 PolarHBondContact O-N 3.48Å; S126-S129 WeakPolarHBondContact CA-OG 2.86Å; S126-S129 PolarHBondContact O-OG 3.33Å; S129-T132 PolarHBondContact O-N 3.4Å; S129-Y133 WeakPolarHBondContact O-CB 3.39Å; S129-Y133 PolarHBondContact O-N 2.84Å
130	D	62.4	Low	56.1	Low	70 Å²	70	72.8 Å²	72.8	37%	0.374	42%	0.424	S	S	.	.	H	α-helix	trans	-65.3	-46.3	178.5	-170	43.1	0	0	0	111.5	S126 N127 T132 Y133 V134	S126-D130 PolarHBondContact O-N 2.91Å; S126-D130 VanDerWaalsContact O-N 3.1Å; N127-D130 PolarHBondContact O-N 2.86Å; D130-T132 VanDerWaalsContact C-N 3.34Å; D130-T132 PolarHBondContact O-N 2.05Å; D130-Y133 WeakPolarHBondContact O-CB 3.15Å; D130-Y133 PolarHBondContact O-N 2.78Å; D130-V134 WeakPolarHBondContact O-CB 3.05Å; D130-V134 VanDerWaalsContact O-CG2 3.28Å; D130-V134 WeakPolarHBondContact O-CG2 3.31Å; D130-V134 PolarHBondContact O-N 3.33Å
131	Y	63.1	Low	58.5	Low	47 Å²	47	65 Å²	65	18%	0.184	39%	0.389	C	S	.	.	H	α-helix	trans	-55.2	-47.7	174.7	-178.7	-87.5	0	0	0	112.4	M2 W48 N127 V134 I135	M2-Y131 HydrophobicContact CE-CE1 4.34Å; M2-Y131 HydrophobicContact SD-CD1 4.44Å; M2-Y131 HydrophobicContact SD-CE1 3.6Å; W48-Y131 HydrophobicContact CB-CE2 4.44Å; W48-Y131 AromaticContact CD2-CD2 3.33Å; W48-Y131 HydrophobicContact CD2-CD2 3.33Å; W48-Y131 AromaticContact CD2-CE2 3.34Å; W48-Y131 HydrophobicContact CD2-CE2 3.34Å; W48-Y131 AromaticContact CE2-CD2 3.39Å; W48-Y131 AromaticContact CE2-CE2 3.89Å; W48-Y131 AromaticContact CE3-CD2 3.53Å; W48-Y131 HydrophobicContact CE3-CD2 3.53Å; W48-Y131 AromaticContact CE3-CE2 3.06Å; W48-Y131 HydrophobicContact CE3-CE2 3.06Å; W48-Y131 AromaticContact CE3-CZ 3.96Å; W48-Y131 AromaticContact CG-CD2 3.9Å; W48-Y131 HydrophobicContact CG-CD2 3.9Å; W48-Y131 AromaticContact CG-CE2 3.97Å; W48-Y131 HydrophobicContact CG-CE2 3.97Å; W48-Y131 AromaticContact CH2-CD2 3.74Å; W48-Y131 HydrophobicContact CH2-CD2 3.74Å; W48-Y131 AromaticContact CH2-CE2 3.86Å; W48-Y131 HydrophobicContact CH2-CE2 3.86Å; W48-Y131 HydrophobicContact CH2-CG 4.29Å; W48-Y131 AromaticContact CZ2-CD2 3.61Å; W48-Y131 HydrophobicContact CZ2-CD2 3.61Å; W48-Y131 HydrophobicContact CZ2-CE2 4.13Å; W48-Y131 HydrophobicContact CZ2-CG 4.19Å; W48-Y131 AromaticContact CZ3-CD2 3.72Å; W48-Y131 HydrophobicContact CZ3-CD2 3.72Å; W48-Y131 AromaticContact CZ3-CE2 3.34Å; W48-Y131 HydrophobicContact CZ3-CE2 3.34Å; W48-Y131 AromaticContact CZ3-CZ 3.89Å; W48-Y131 AromaticContact NE1-CD2 3.99Å; N127-Y131 WeakPolarHBondContact O-CB 3.2Å; N127-Y131 PolarHBondContact O-N 3.27Å; Y131-V134 PolarHBondContact O-N 2.81Å; Y131-I135 HydrophobicContact CD1-CD1 3.87Å; Y131-I135 HydrophobicContact CE1-CD1 3.18Å; Y131-I135 HydrophobicContact CE1-CG1 4.23Å; Y131-I135 HydrophobicContact CE2-CD1 4.33Å; Y131-I135 VanDerWaalsContact CZ-CD1 3.44Å; Y131-I135 WeakPolarHBondContact O-CG1 3.44Å; Y131-I135 PolarHBondContact O-N 3.48Å; Y131-I135 VanDerWaalsContact O-N 3.11Å
132	T	63.7	Low	60.9	Low	62 Å²	62	57.3 Å²	57.3	38%	0.38	35%	0.348	S	S	.	.	H	α-helix	trans	-65.6	-42.1	-179.4	-56.6	0	0	0	0	111.2	A128 S129 D130 M136	A128-T132 WeakPolarHBondContact O-CB 2.92Å; A128-T132 PolarHBondContact O-N 2.88Å; A128-T132 PolarHBondContact O-OG1 3.38Å; S129-T132 PolarHBondContact O-N 3.4Å; D130-T132 VanDerWaalsContact C-N 3.34Å; D130-T132 PolarHBondContact O-N 2.05Å; T132-M136 WeakPolarHBondContact O-CB 3.37Å; T132-M136 PolarHBondContact O-N 3.28Å
133	Y	67.1	Low	63.4	Low	17 Å²	17	57.4 Å²	57.4	7%	0.067	33%	0.332	C	S	.	.	H	α-helix	trans	-59.6	-50.6	175.5	172.3	-109.1	0	0	0	111.7	Y71 D74 S129 D130 I135 M136 K137	Y71-Y133 HydrophobicContact CD2-CD1 4.13Å; Y71-Y133 AromaticContact CD2-CD2 3.51Å; Y71-Y133 HydrophobicContact CD2-CD2 3.51Å; Y71-Y133 HydrophobicContact CD2-CE1 4.3Å; Y71-Y133 AromaticContact CD2-CE2 3.69Å; Y71-Y133 HydrophobicContact CD2-CE2 3.69Å; Y71-Y133 AromaticContact CD2-CG 3.73Å; Y71-Y133 HydrophobicContact CD2-CG 3.73Å; Y71-Y133 HydrophobicContact CE2-CD2 4.12Å; Y71-Y133 HydrophobicContact CE2-CE2 4.41Å; D74-Y133 WeakPolarHBondContact CB-OH 3.29Å; D74-Y133 PolarHBondContact OD2-OH 3.1Å; S129-Y133 WeakPolarHBondContact O-CB 3.39Å; S129-Y133 PolarHBondContact O-N 2.84Å; D130-Y133 WeakPolarHBondContact O-CB 3.15Å; D130-Y133 PolarHBondContact O-N 2.78Å; Y133-I135 PolarHBondContact O-N 3.27Å; Y133-M136 HydrophobicContact CD2-CE 4.14Å; Y133-M136 WeakPolarHBondContact O-CB 3.43Å; Y133-M136 PolarHBondContact O-N 2.94Å; Y133-K137 HydrophobicContact CE1-CB 4.47Å; Y133-K137 HydrophobicContact CE2-CB 4.4Å; Y133-K137 WeakPolarHBondContact O-CB 3.22Å; Y133-K137 PolarHBondContact O-N 2.78Å
134	V	74.6	Confident	65.8	Low	3 Å²	3	53.7 Å²	53.7	2%	0.018	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-47	-178.7	169.2	0	0	0	0	111.4	W48 K52 L69 D130 Y131 M136 K137 I138	W48-V134 HydrophobicContact CH2-CB 3.99Å; W48-V134 HydrophobicContact CH2-CG1 3.61Å; W48-V134 HydrophobicContact CZ2-CB 3.77Å; W48-V134 HydrophobicContact CZ2-CG1 3.58Å; W48-V134 HydrophobicContact CZ2-CG2 4.37Å; K52-V134 HydrophobicContact CD-CG1 3.95Å; K52-V134 HydrophobicContact CG-CG1 3.99Å; L69-V134 HydrophobicContact CB-CG2 4.36Å; L69-V134 HydrophobicContact CD1-CG1 3.71Å; L69-V134 HydrophobicContact CD1-CG2 4.19Å; L69-V134 HydrophobicContact CD2-CG1 4.1Å; L69-V134 HydrophobicContact CG-CG1 4.5Å; D130-V134 WeakPolarHBondContact O-CB 3.05Å; D130-V134 VanDerWaalsContact O-CG2 3.28Å; D130-V134 WeakPolarHBondContact O-CG2 3.31Å; D130-V134 PolarHBondContact O-N 3.33Å; Y131-V134 PolarHBondContact O-N 2.81Å; V134-M136 VanDerWaalsContact C-N 3.33Å; V134-M136 PolarHBondContact O-N 3.37Å; V134-K137 PolarHBondContact O-N 3.42Å; V134-I138 HydrophobicContact CG1-CD1 3.71Å; V134-I138 HydrophobicContact CG1-CG1 4.42Å; V134-I138 WeakPolarHBondContact O-CB 3.43Å; V134-I138 VanDerWaalsContact O-CG1 3.3Å; V134-I138 WeakPolarHBondContact O-CG1 3.43Å; V134-I138 PolarHBondContact O-N 3.15Å
135	I	73.6	Confident	68	Low	74 Å²	74	54.1 Å²	54.1	38%	0.379	31%	0.31	S	S	.	.	H	α-helix	trans	-60.6	-45.4	177.2	-69.7	-175.1	0	0	0	111	W48 Y131 Y133 S139	W48-I135 HydrophobicContact CH2-CD1 4.31Å; W48-I135 HydrophobicContact CH2-CG1 3.68Å; W48-I135 HydrophobicContact CZ3-CD1 4.13Å; W48-I135 HydrophobicContact CZ3-CG1 3.89Å; Y131-I135 HydrophobicContact CD1-CD1 3.87Å; Y131-I135 HydrophobicContact CE1-CD1 3.18Å; Y131-I135 HydrophobicContact CE1-CG1 4.23Å; Y131-I135 HydrophobicContact CE2-CD1 4.33Å; Y131-I135 VanDerWaalsContact CZ-CD1 3.44Å; Y131-I135 WeakPolarHBondContact O-CG1 3.44Å; Y131-I135 PolarHBondContact O-N 3.48Å; Y131-I135 VanDerWaalsContact O-N 3.11Å; Y133-I135 PolarHBondContact O-N 3.27Å; I135-S139 WeakPolarHBondContact O-CB 3.41Å; I135-S139 PolarHBondContact O-N 3.02Å
136	M	71.1	Confident	70.2	Confident	91 Å²	91	55.6 Å²	55.6	45%	0.448	32%	0.319	S	S	.	.	H	α-helix	trans	-60.2	-49.9	178.5	-175.8	-178.5	70.6	0	0	110.3	T132 Y133 V134 I138 S139 T140	T132-M136 WeakPolarHBondContact O-CB 3.37Å; T132-M136 PolarHBondContact O-N 3.28Å; Y133-M136 HydrophobicContact CD2-CE 4.14Å; Y133-M136 WeakPolarHBondContact O-CB 3.43Å; Y133-M136 PolarHBondContact O-N 2.94Å; V134-M136 VanDerWaalsContact C-N 3.33Å; V134-M136 PolarHBondContact O-N 3.37Å; M136-I138 PolarHBondContact O-N 3.22Å; M136-S139 PolarHBondContact O-N 3.16Å; M136-S139 VanDerWaalsContact O-N 3.17Å; M136-T140 HydrophobicContact CG-CG2 4.3Å; M136-T140 WeakPolarHBondContact O-CG2 3.42Å; M136-T140 PolarHBondContact O-N 2.81Å; M136-T140 PolarHBondContact O-OG1 3.01Å; M136-T140 VanDerWaalsContact O-OG1 3.06Å
137	K	76.9	Confident	72.2	Confident	40 Å²	40	52.7 Å²	52.7	17%	0.174	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-46.1	-179.3	-176.5	69.6	-176	-163.8	0	111.8	P67 T68 L69 D74 Y133 V134 T140 S141	P67-K137 HydrophobicContact CB-CG 4.46Å; T68-K137 WeakPolarHBondContact O-CE 3.32Å; L69-K137 HydrophobicContact CD2-CB 4.31Å; L69-K137 HydrophobicContact CD2-CG 4.08Å; D74-K137 VanDerWaalsContact CG-NZ 3.31Å; D74-K137 IonicContact OD1-NZ 3.14Å; D74-K137 PolarHBondContact OD1-NZ 3.4Å; D74-K137 IonicContact OD2-NZ 2.76Å; Y133-K137 HydrophobicContact CE1-CB 4.47Å; Y133-K137 HydrophobicContact CE2-CB 4.4Å; Y133-K137 WeakPolarHBondContact O-CB 3.22Å; Y133-K137 PolarHBondContact O-N 2.78Å; V134-K137 PolarHBondContact O-N 3.42Å; K137-T140 PolarHBondContact O-N 3.35Å; K137-T140 PolarHBondContact O-OG1 3.4Å; K137-S141 WeakPolarHBondContact O-CB 3.34Å; K137-S141 PolarHBondContact O-N 3.16Å; K137-S141 PolarHBondContact O-OG 2.94Å
138	I	83.4	Confident	74.1	Confident	14 Å²	14	46.7 Å²	46.7	7%	0.072	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-49.5	175	-69.1	168.5	0	0	0	109.6	A55 L56 F59 P67 L69 V134 M136 T140 S141 A142 L160	A55-I138 HydrophobicContact CB-CD1 4.03Å; A55-I138 HydrophobicContact CB-CG2 4.24Å; L56-I138 HydrophobicContact CD2-CG1 4.45Å; F59-I138 HydrophobicContact CE2-CG2 3.84Å; F59-I138 HydrophobicContact CZ-CG2 4.39Å; F59-I138 WeakPolarHBondContact CZ-O 3.24Å; P67-I138 HydrophobicContact CG-CG1 4.48Å; L69-I138 HydrophobicContact CD2-CG1 4.11Å; V134-I138 HydrophobicContact CG1-CD1 3.71Å; V134-I138 HydrophobicContact CG1-CG1 4.42Å; V134-I138 WeakPolarHBondContact O-CB 3.43Å; V134-I138 VanDerWaalsContact O-CG1 3.3Å; V134-I138 WeakPolarHBondContact O-CG1 3.43Å; V134-I138 PolarHBondContact O-N 3.15Å; M136-I138 PolarHBondContact O-N 3.22Å; I138-T140 PolarHBondContact O-N 2.72Å; I138-S141 PolarHBondContact O-N 2.76Å; I138-A142 PolarHBondContact O-N 3Å; I138-L160 HydrophobicContact CG2-CD1 4.18Å; I138-L160 HydrophobicContact CG2-CD2 3.8Å
139	S	78.9	Confident	76.1	Confident	54 Å²	54	48.5 Å²	48.5	38%	0.378	27%	0.272	S	S	.	.	H	α-helix	trans	-62.3	-41.6	-178.4	-175.8	0	0	0	0	112.7	I135 M136	I135-S139 WeakPolarHBondContact O-CB 3.41Å; I135-S139 PolarHBondContact O-N 3.02Å; M136-S139 PolarHBondContact O-N 3.16Å; M136-S139 VanDerWaalsContact O-N 3.17Å
140	T	77	Confident	77.5	Confident	67 Å²	67	48.2 Å²	48.2	41%	0.411	28%	0.28	S	S	.	.	H	α-helix	trans	-75.4	-33.3	-178.9	55.3	0	0	0	0	112	M136 K137 I138 A142 D143 D144	M136-T140 HydrophobicContact CG-CG2 4.3Å; M136-T140 WeakPolarHBondContact O-CG2 3.42Å; M136-T140 PolarHBondContact O-N 2.81Å; M136-T140 PolarHBondContact O-OG1 3.01Å; M136-T140 VanDerWaalsContact O-OG1 3.06Å; K137-T140 PolarHBondContact O-N 3.35Å; K137-T140 PolarHBondContact O-OG1 3.4Å; I138-T140 PolarHBondContact O-N 2.72Å; T140-A142 VanDerWaalsContact C-N 3.29Å; T140-A142 PolarHBondContact O-N 2.75Å; T140-D143 WeakPolarHBondContact O-CA 3.5Å; T140-D143 WeakPolarHBondContact O-CB 3.26Å; T140-D143 PolarHBondContact O-N 2.91Å; T140-D144 PolarHBondContact O-N 3.43Å
141	S	83.1	Confident	78.7	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-66.7	-32.2	178.3	-57.5	0	0	0	0	111.9	P67 K137 I138 D143 D144	P67-S141 WeakPolarHBondContact CB-OG 3.38Å; K137-S141 WeakPolarHBondContact O-CB 3.34Å; K137-S141 PolarHBondContact O-N 3.16Å; K137-S141 PolarHBondContact O-OG 2.94Å; I138-S141 PolarHBondContact O-N 2.76Å; S141-D143 PolarHBondContact O-N 3.21Å; S141-D144 PolarHBondContact O-N 3.38Å
142	A	84.3	Confident	80.1	Confident	3 Å²	3	49.1 Å²	49.1	3%	0.025	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.6	172.4	0	0	0	0	0	112.4	F59 I138 T140 Q153 V156 L160	F59-A142 HydrophobicContact CE1-CB 4.29Å; F59-A142 HydrophobicContact CZ-CB 3.95Å; I138-A142 PolarHBondContact O-N 3Å; T140-A142 VanDerWaalsContact C-N 3.29Å; T140-A142 PolarHBondContact O-N 2.75Å; A142-Q153 WeakPolarHBondContact O-CG 3.38Å; A142-Q153 PolarHBondContact O-NE2 3.09Å; A142-V156 HydrophobicContact CB-CG1 3.93Å; A142-L160 HydrophobicContact CB-CD1 3.91Å
143	D	79.7	Confident	81.3	Confident	71 Å²	71	48.3 Å²	48.3	38%	0.38	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-9.9	179.6	-66.8	-24.2	0	0	0	113.1	T140 S141 P145 Q153 R157	T140-D143 WeakPolarHBondContact O-CA 3.5Å; T140-D143 WeakPolarHBondContact O-CB 3.26Å; T140-D143 PolarHBondContact O-N 2.91Å; S141-D143 PolarHBondContact O-N 3.21Å; D143-P145 WeakPolarHBondContact O-CD 3.35Å; D143-Q153 VanDerWaalsContact CA-NE2 3.32Å; D143-Q153 PolarHBondContact O-NE2 3.39Å; D143-R157 IonicContact OD1-CZ 3.62Å; D143-R157 VanDerWaalsContact OD1-CZ 3.29Å; D143-R157 IonicContact OD1-NE 2.75Å; D143-R157 PolarHBondContact OD1-NE 3.35Å; D143-R157 VanDerWaalsContact OD1-NE 3.14Å; D143-R157 IonicContact OD1-NH2 2.7Å; D143-R157 PolarHBondContact OD1-NH2 3.4Å
144	D	79.8	Confident	82.4	Confident	46 Å²	46	54.4 Å²	54.4	25%	0.246	31%	0.308	C	S	.	.			trans	-82.8	113.7	179.7	-173.3	-4.7	0	0	0	111.2	T140 S141 N146 M147 C148	T140-D144 PolarHBondContact O-N 3.43Å; S141-D144 PolarHBondContact O-N 3.38Å; D144-N146 PolarHBondContact O-N 3.2Å; D144-N146 WeakPolarHBondContact OD1-CB 3.25Å; D144-N146 PolarHBondContact OD1-N 3.37Å; D144-M147 HydrophobicContact CB-CB 4.17Å; D144-M147 HydrophobicContact CB-CG 4.03Å; D144-M147 HydrophobicContact CB-SD 4.22Å; D144-M147 PolarHBondContact O-N 2.91Å; D144-M147 VanDerWaalsContact O-N 3.07Å; D144-C148 PolarHBondContact O-N 2.91Å
145	P	80.5	Confident	83.2	Confident	64 Å²	64	60.2 Å²	60.2	42%	0.416	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.1	179.6	27.2	-36.1	0	0	0	113.8	D143 M147 C148 P149	D143-P145 WeakPolarHBondContact O-CD 3.35Å; P145-M147 VanDerWaalsContact C-N 3.35Å; P145-C148 CarbonylContact O-C 3.54Å; P145-P149 WeakPolarHBondContact O-CA 3.46Å; P145-P149 WeakPolarHBondContact O-CB 3.4Å
146	N	85.2	Confident	84.2	Confident	130 Å²	130	56.7 Å²	56.7	70%	0.695	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-31	175.6	-66.6	-27.5	0	0	0	111.5	D144	D144-N146 PolarHBondContact O-N 3.2Å; D144-N146 WeakPolarHBondContact OD1-CB 3.25Å; D144-N146 PolarHBondContact OD1-N 3.37Å
147	M	84.1	Confident	85	Confident	23 Å²	23	57.8 Å²	57.8	11%	0.113	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-37	177.6	-59.8	-175.7	75.7	0	0	112	C64 Q65 P67 D144 P145	C64-M147 CarbonylContact C-O 3.4Å; C64-M147 WeakPolarHBondContact CA-O 3.3Å; C64-M147 VanDerWaalsContact CB-O 3.31Å; C64-M147 WeakPolarHBondContact CB-O 3.39Å; Q65-M147 HydrophobicContact CB-CB 4.47Å; Q65-M147 PolarHBondContact N-O 3.46Å; P67-M147 HydrophobicContact CB-CE 3.73Å; D144-M147 HydrophobicContact CB-CB 4.17Å; D144-M147 HydrophobicContact CB-CG 4.03Å; D144-M147 HydrophobicContact CB-SD 4.22Å; D144-M147 PolarHBondContact O-N 2.91Å; D144-M147 VanDerWaalsContact O-N 3.07Å; P145-M147 VanDerWaalsContact C-N 3.35Å
148	C	85.8	Confident	85.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.327	C	S	.	.	S	Bend	trans	-133.3	81.3	-178.1	-84.5	0	0	0	0	111.1	C64 D144 P145 Q153	C64-C148 HydrophobicContact CB-CB 4.08Å; C64-C148 WeakPolarHBondContact CB-SG 3.48Å; C64-C148 WeakPolarHBondContact SG-CA 3.23Å; C64-C148 WeakPolarHBondContact SG-CB 3.49Å; C64-C148 CovalentContact SG-SG 2.03Å; C64-C148 PolarHBondContact SG-SG 3.2Å; D144-C148 PolarHBondContact O-N 2.91Å; P145-C148 CarbonylContact O-C 3.54Å; C148-Q153 HydrophobicContact CB-CB 4.38Å
149	P	86.8	Confident	86.1	Confident	74 Å²	74	59.1 Å²	59.1	48%	0.481	33%	0.333	S	S	.	.			trans	-75.2	143.8	-179	28	-33.3	0	0	0	112.7	P145 D151 S152	P145-P149 WeakPolarHBondContact O-CA 3.46Å; P145-P149 WeakPolarHBondContact O-CB 3.4Å; P149-D151 PolarHBondContact O-N 2.92Å; P149-S152 WeakPolarHBondContact O-CB 3.43Å; P149-S152 PolarHBondContact O-N 2.82Å
150	G	86.3	Confident	86.7	Confident	59 Å²	59	58.1 Å²	58.1	61%	0.608	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	-129.7	166	0	0	0	0	0	114.6	S152 Q153	G150-S152 PolarHBondContact O-N 3.24Å; G150-Q153 WeakPolarHBondContact O-CB 3.47Å; G150-Q153 PolarHBondContact O-N 2.81Å
151	D	88.9	Confident	87.2	Confident	113 Å²	113	60 Å²	60	60%	0.604	33%	0.327	S	S	*	.	H	α-helix	trans	-68.1	-20.4	-175.4	-73.3	-33.2	0	0	0	113.9	P149 Q153 K154 K155	P149-D151 PolarHBondContact O-N 2.92Å; D151-Q153 PolarHBondContact O-N 2.95Å; D151-K154 PolarHBondContact O-N 2.92Å; D151-K154 IonicContact OD1-NZ 4Å; D151-K155 PolarHBondContact O-N 3.28Å
152	S	91.3	Very high	87.5	Confident	23 Å²	23	66.5 Å²	66.5	16%	0.161	36%	0.357	C	S	.	.	H	α-helix	trans	-62.5	-31.2	174.5	-68.6	0	0	0	0	111.9	S62 P149 G150 K154 K155 V156	S62-S152 WeakPolarHBondContact O-CB 3.39Å; S62-S152 PolarHBondContact O-OG 2.93Å; P149-S152 WeakPolarHBondContact O-CB 3.43Å; P149-S152 PolarHBondContact O-N 2.82Å; G150-S152 PolarHBondContact O-N 3.24Å; S152-K154 VanDerWaalsContact C-N 3.34Å; S152-K154 PolarHBondContact O-N 3.09Å; S152-K155 PolarHBondContact O-N 2.92Å; S152-V156 PolarHBondContact O-N 3.42Å
153	Q	89.1	Confident	87.6	Confident	46 Å²	46	67 Å²	67	22%	0.215	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-40.7	174.9	-178.5	164.8	71.9	0	0	112.6	A142 D143 C148 G150 D151 V156 R157	A142-Q153 WeakPolarHBondContact O-CG 3.38Å; A142-Q153 PolarHBondContact O-NE2 3.09Å; D143-Q153 VanDerWaalsContact CA-NE2 3.32Å; D143-Q153 PolarHBondContact O-NE2 3.39Å; C148-Q153 HydrophobicContact CB-CB 4.38Å; G150-Q153 WeakPolarHBondContact O-CB 3.47Å; G150-Q153 PolarHBondContact O-N 2.81Å; D151-Q153 PolarHBondContact O-N 2.95Å; Q153-V156 VanDerWaalsContact O-CG1 3.23Å; Q153-V156 WeakPolarHBondContact O-CG1 3.34Å; Q153-R157 WeakPolarHBondContact O-CB 3.26Å; Q153-R157 WeakPolarHBondContact O-CG 3.42Å; Q153-R157 PolarHBondContact O-N 3.22Å; Q153-R157 VanDerWaalsContact O-N 3.15Å
154	K	89.4	Confident	87.7	Confident	144 Å²	144	65.1 Å²	65.1	63%	0.626	36%	0.355	S	S	*	.	H	α-helix	trans	-68.9	-40.2	177.7	-67.9	176.4	-175.4	162.6	0	111.1	D151 S152 R157 A158	D151-K154 PolarHBondContact O-N 2.92Å; D151-K154 IonicContact OD1-NZ 4Å; S152-K154 VanDerWaalsContact C-N 3.34Å; S152-K154 PolarHBondContact O-N 3.09Å; K154-R157 PolarHBondContact O-N 3.08Å; K154-A158 WeakPolarHBondContact O-CB 3.29Å; K154-A158 PolarHBondContact O-N 3.03Å
155	K	93.2	Very high	87.8	Confident	125 Å²	125	66.3 Å²	66.3	54%	0.543	36%	0.361	S	S	.	.	H	α-helix	trans	-64	-46.3	178.6	-67	176.8	-176	174.7	0	111.7	D151 S152 R157 A158 C159	D151-K155 PolarHBondContact O-N 3.28Å; S152-K155 PolarHBondContact O-N 2.92Å; K155-R157 PolarHBondContact O-N 3.43Å; K155-A158 PolarHBondContact O-N 3.14Å; K155-C159 PolarHBondContact O-N 3.2Å
156	V	92.8	Very high	87.8	Confident	0 Å²	0	66 Å²	66	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-64	-42	178.5	71.5	0	0	0	0	111	C58 F59 S62 A142 S152 Q153 A158 C159 L160	C58-V156 HydrophobicContact CB-CG2 4.1Å; F59-V156 HydrophobicContact CD1-CG2 4.07Å; F59-V156 HydrophobicContact CD2-CG2 3.97Å; F59-V156 HydrophobicContact CE1-CG2 4.11Å; F59-V156 HydrophobicContact CE2-CG2 4Å; F59-V156 HydrophobicContact CG-CG2 4Å; F59-V156 HydrophobicContact CZ-CG2 4.06Å; S62-V156 WeakPolarHBondContact OG-CA 3.41Å; S62-V156 PolarHBondContact OG-N 2.96Å; A142-V156 HydrophobicContact CB-CG1 3.93Å; S152-V156 PolarHBondContact O-N 3.42Å; Q153-V156 VanDerWaalsContact O-CG1 3.23Å; Q153-V156 WeakPolarHBondContact O-CG1 3.34Å; V156-A158 PolarHBondContact O-N 2.79Å; V156-C159 PolarHBondContact O-N 3.31Å; V156-L160 HydrophobicContact CG2-CD1 4.06Å; V156-L160 HydrophobicContact CG2-CG 4.23Å; V156-L160 WeakPolarHBondContact O-CB 3.49Å; V156-L160 VanDerWaalsContact O-CG 3.3Å; V156-L160 WeakPolarHBondContact O-CG 3.35Å; V156-L160 PolarHBondContact O-N 3.43Å
157	R	89.2	Confident	87.2	Confident	114 Å²	114	60.8 Å²	60.8	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-62.6	-42.9	177.1	-75.7	-178.2	-177.1	157.4	5.4	111.8	D143 Q153 K154 K155 C159 L160 Q161	D143-R157 IonicContact OD1-CZ 3.62Å; D143-R157 VanDerWaalsContact OD1-CZ 3.29Å; D143-R157 IonicContact OD1-NE 2.75Å; D143-R157 PolarHBondContact OD1-NE 3.35Å; D143-R157 VanDerWaalsContact OD1-NE 3.14Å; D143-R157 IonicContact OD1-NH2 2.7Å; D143-R157 PolarHBondContact OD1-NH2 3.4Å; Q153-R157 WeakPolarHBondContact O-CB 3.26Å; Q153-R157 WeakPolarHBondContact O-CG 3.42Å; Q153-R157 PolarHBondContact O-N 3.22Å; Q153-R157 VanDerWaalsContact O-N 3.15Å; K154-R157 PolarHBondContact O-N 3.08Å; K155-R157 PolarHBondContact O-N 3.43Å; R157-C159 VanDerWaalsContact C-N 3.34Å; R157-L160 PolarHBondContact O-N 3.27Å; R157-Q161 VanDerWaalsContact O-CB 3.25Å; R157-Q161 WeakPolarHBondContact O-CB 3.28Å; R157-Q161 PolarHBondContact O-N 2.8Å
158	A	89.9	Confident	86.8	Confident	54 Å²	54	66.2 Å²	66.2	45%	0.446	36%	0.362	S	S	.	.	H	α-helix	trans	-62.5	-41.8	176.2	0	0	0	0	0	111.7	K154 K155 V156 Q161 Q162	K154-A158 WeakPolarHBondContact O-CB 3.29Å; K154-A158 PolarHBondContact O-N 3.03Å; K155-A158 PolarHBondContact O-N 3.14Å; V156-A158 PolarHBondContact O-N 2.79Å; A158-Q161 PolarHBondContact O-N 2.82Å; A158-Q162 WeakPolarHBondContact O-CG 3.49Å; A158-Q162 PolarHBondContact O-N 3.36Å; A158-Q162 VanDerWaalsContact O-N 3.08Å
159	C	92.9	Very high	86.3	Confident	29 Å²	29	73.3 Å²	73.3	20%	0.196	40%	0.395	C	S	.	.	H	α-helix	trans	-65.1	-49.6	175.9	-177.5	0	0	0	0	111.9	C58 K155 V156 R157 Q161 Q162 V163	C58-C159 WeakPolarHBondContact CA-SG 3.34Å; C58-C159 HydrophobicContact CB-CB 3.57Å; C58-C159 WeakPolarHBondContact CB-SG 3.11Å; C58-C159 WeakPolarHBondContact SG-CB 3.16Å; C58-C159 CovalentContact SG-SG 2.04Å; C58-C159 PolarHBondContact SG-SG 2.83Å; K155-C159 PolarHBondContact O-N 3.2Å; V156-C159 PolarHBondContact O-N 3.31Å; R157-C159 VanDerWaalsContact C-N 3.34Å; C159-Q161 PolarHBondContact O-N 3.28Å; C159-Q162 WeakPolarHBondContact O-CA 3.48Å; C159-Q162 WeakPolarHBondContact O-CB 3.34Å; C159-Q162 PolarHBondContact O-N 3.43Å; C159-V163 WeakPolarHBondContact O-CG2 3.37Å; C159-V163 PolarHBondContact O-N 2.9Å
160	L	90.9	Very high	85.6	Confident	33 Å²	33	73 Å²	73	17%	0.173	39%	0.387	C	S	.	.	H	α-helix	trans	-59	-36.2	176.9	-70.1	174.9	0	0	0	112	A55 C58 F59 I138 A142 V156 R157 V163 A164	A55-L160 HydrophobicContact CB-CD2 3.75Å; C58-L160 HydrophobicContact CB-CD2 4.09Å; C58-L160 HydrophobicContact CB-CG 4.23Å; F59-L160 HydrophobicContact CE2-CD1 4.29Å; F59-L160 HydrophobicContact CZ-CD1 4.47Å; I138-L160 HydrophobicContact CG2-CD1 4.18Å; I138-L160 HydrophobicContact CG2-CD2 3.8Å; A142-L160 HydrophobicContact CB-CD1 3.91Å; V156-L160 HydrophobicContact CG2-CD1 4.06Å; V156-L160 HydrophobicContact CG2-CG 4.23Å; V156-L160 WeakPolarHBondContact O-CB 3.49Å; V156-L160 VanDerWaalsContact O-CG 3.3Å; V156-L160 WeakPolarHBondContact O-CG 3.35Å; V156-L160 PolarHBondContact O-N 3.43Å; R157-L160 PolarHBondContact O-N 3.27Å; L160-V163 PolarHBondContact O-N 3.23Å; L160-A164 WeakPolarHBondContact O-CB 3.18Å; L160-A164 PolarHBondContact O-N 2.92Å
161	Q	88.3	Confident	84.9	Confident	106 Å²	106	75.9 Å²	75.9	50%	0.495	38%	0.379	S	S	.	.	H	α-helix	trans	-63.4	-40.6	173.4	-175.3	61.9	36.2	0	0	111.6	R157 A158 C159 A164 D165	R157-Q161 VanDerWaalsContact O-CB 3.25Å; R157-Q161 WeakPolarHBondContact O-CB 3.28Å; R157-Q161 PolarHBondContact O-N 2.8Å; A158-Q161 PolarHBondContact O-N 2.82Å; C159-Q161 PolarHBondContact O-N 3.28Å; Q161-A164 PolarHBondContact O-N 2.98Å; Q161-D165 VanDerWaalsContact NE2-CG 3.35Å; Q161-D165 PolarHBondContact NE2-OD1 3.1Å; Q161-D165 VanDerWaalsContact NE2-OD1 3.12Å; Q161-D165 PolarHBondContact NE2-OD2 3.48Å; Q161-D165 WeakPolarHBondContact O-CB 3.35Å; Q161-D165 VanDerWaalsContact O-CG 3.24Å; Q161-D165 PolarHBondContact O-N 3.4Å
162	Q	89.3	Confident	84.2	Confident	139 Å²	139	74.4 Å²	74.4	65%	0.65	37%	0.369	S	S	*	.	H	α-helix	trans	-63.9	-41.9	174.3	-70.2	175.9	9.5	0	0	112.3	A158 C159 A164 D165 G166	A158-Q162 WeakPolarHBondContact O-CG 3.49Å; A158-Q162 PolarHBondContact O-N 3.36Å; A158-Q162 VanDerWaalsContact O-N 3.08Å; C159-Q162 WeakPolarHBondContact O-CA 3.48Å; C159-Q162 WeakPolarHBondContact O-CB 3.34Å; C159-Q162 PolarHBondContact O-N 3.43Å; Q162-A164 VanDerWaalsContact C-N 3.31Å; Q162-A164 PolarHBondContact O-N 2.82Å; Q162-D165 PolarHBondContact O-N 3.04Å; Q162-G166 PolarHBondContact O-N 3.29Å
163	V	87.3	Confident	83.5	Confident	13 Å²	13	75.1 Å²	75.1	8%	0.079	38%	0.379	C	S	.	.	H	α-helix	trans	-58.9	-46.3	174	-178.4	0	0	0	0	110.2	K51 E54 C159 L160 G166 T167	K51-V163 HydrophobicContact CD-CG1 4.03Å; E54-V163 HydrophobicContact CB-CG1 4.33Å; E54-V163 HydrophobicContact CB-CG2 4.29Å; E54-V163 HydrophobicContact CG-CG1 4.37Å; E54-V163 HydrophobicContact CG-CG2 3.7Å; C159-V163 WeakPolarHBondContact O-CG2 3.37Å; C159-V163 PolarHBondContact O-N 2.9Å; L160-V163 PolarHBondContact O-N 3.23Å; V163-G166 PolarHBondContact O-N 2.87Å; V163-T167 PolarHBondContact O-N 3.2Å
164	A	81.4	Confident	82.8	Confident	33 Å²	33	75 Å²	75	27%	0.273	38%	0.379	S	S	.	.	H	α-helix	trans	-62.7	-44.1	176.2	0	0	0	0	0	111.6	L160 Q161 Q162 G166 T167 R168 R171	L160-A164 WeakPolarHBondContact O-CB 3.18Å; L160-A164 PolarHBondContact O-N 2.92Å; Q161-A164 PolarHBondContact O-N 2.98Å; Q162-A164 VanDerWaalsContact C-N 3.31Å; Q162-A164 PolarHBondContact O-N 2.82Å; A164-G166 VanDerWaalsContact C-N 3.35Å; A164-G166 PolarHBondContact O-N 2.85Å; A164-T167 PolarHBondContact O-N 2.84Å; A164-T167 PolarHBondContact O-OG1 3.47Å; A164-R168 PolarHBondContact O-N 3.46Å; A164-R171 PolarHBondContact O-NH2 3.38Å
165	D	81.6	Confident	81.9	Confident	70 Å²	70	72.4 Å²	72.4	37%	0.374	37%	0.371	S	S	.	.	H	α-helix	trans	-69.6	-32.2	-178.8	-72.7	-27.6	0	0	0	112.5	Q161 Q162 T167 R168	Q161-D165 VanDerWaalsContact NE2-CG 3.35Å; Q161-D165 PolarHBondContact NE2-OD1 3.1Å; Q161-D165 VanDerWaalsContact NE2-OD1 3.12Å; Q161-D165 PolarHBondContact NE2-OD2 3.48Å; Q161-D165 WeakPolarHBondContact O-CB 3.35Å; Q161-D165 VanDerWaalsContact O-CG 3.24Å; Q161-D165 PolarHBondContact O-N 3.4Å; Q162-D165 PolarHBondContact O-N 3.04Å; D165-T167 PolarHBondContact O-N 3.34Å; D165-R168 WeakPolarHBondContact O-CB 3.44Å; D165-R168 PolarHBondContact O-N 2.96Å
166	G	79.8	Confident	81.3	Confident	58 Å²	58	73.8 Å²	73.8	60%	0.598	38%	0.377	S	S	*	.	H	α-helix	trans	-58.4	-30.1	171.9	0	0	0	0	0	112.9	Q162 V163 A164	Q162-G166 PolarHBondContact O-N 3.29Å; V163-G166 PolarHBondContact O-N 2.87Å; A164-G166 VanDerWaalsContact C-N 3.35Å; A164-G166 PolarHBondContact O-N 2.85Å
167	T	73.4	Confident	80.7	Confident	20 Å²	20	79 Å²	79	12%	0.123	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	1	175.6	66.1	0	0	0	0	113.3	K51 V163 A164 D165 H169 Q170 R171	K51-T167 HydrophobicContact CD-CG2 3.7Å; K51-T167 HydrophobicContact CG-CG2 4.3Å; V163-T167 PolarHBondContact O-N 3.2Å; A164-T167 PolarHBondContact O-N 2.84Å; A164-T167 PolarHBondContact O-OG1 3.47Å; D165-T167 PolarHBondContact O-N 3.34Å; T167-H169 VanDerWaalsContact C-N 3.33Å; T167-H169 PolarHBondContact O-N 2.86Å; T167-Q170 PolarHBondContact O-N 3.34Å; T167-R171 WeakPolarHBondContact O-CB 3.34Å; T167-R171 VanDerWaalsContact O-CG 3.28Å; T167-R171 WeakPolarHBondContact O-CG 3.46Å; T167-R171 PolarHBondContact O-N 3.17Å; T167-R171 PolarHBondContact OG1-NE 3.23Å
168	R	74.9	Confident	80.2	Confident	137 Å²	137	74.9 Å²	74.9	52%	0.517	39%	0.388	S	S	.	.	H	α-helix	trans	-58.8	-42.9	-174.1	-176.5	177.2	178.2	176.7	1.6	112.5	A164 D165 R171 Q172	A164-R168 PolarHBondContact O-N 3.46Å; D165-R168 WeakPolarHBondContact O-CB 3.44Å; D165-R168 PolarHBondContact O-N 2.96Å; R168-R171 PolarHBondContact O-N 2.91Å; R168-Q172 HydrophobicContact CG-CG 4.44Å; R168-Q172 WeakPolarHBondContact O-CB 3.35Å; R168-Q172 VanDerWaalsContact O-CG 3.23Å; R168-Q172 WeakPolarHBondContact O-CG 3.44Å; R168-Q172 PolarHBondContact O-N 2.98Å
169	H	74.9	Confident	79.8	Confident	150 Å²	150	74.8 Å²	74.8	69%	0.694	38%	0.383	S	S	*	.	H	α-helix	trans	-66.3	-45.5	-179.5	-73.9	77.8	0	0	0	111.6	T167 Q172 G173	T167-H169 VanDerWaalsContact C-N 3.33Å; T167-H169 PolarHBondContact O-N 2.86Å; H169-Q172 PolarHBondContact O-N 3.4Å; H169-G173 PolarHBondContact O-N 3.16Å
170	Q	73.6	Confident	79.5	Confident	67 Å²	67	75.5 Å²	75.5	31%	0.313	39%	0.391	S	S	.	.	H	α-helix	trans	-60.4	-50.2	174.6	-175.1	-173.8	2.4	0	0	110.6	D47 T167 Q172 G173 H174	D47-Q170 PolarHBondContact OD1-NE2 3.42Å; D47-Q170 PolarHBondContact OD2-OE1 3.02Å; T167-Q170 PolarHBondContact O-N 3.34Å; Q170-Q172 VanDerWaalsContact C-N 3.29Å; Q170-Q172 PolarHBondContact O-N 3.14Å; Q170-G173 PolarHBondContact O-N 3.21Å; Q170-G173 VanDerWaalsContact O-N 3.11Å; Q170-H174 VanDerWaalsContact CG-CE1 3.42Å; Q170-H174 WeakPolarHBondContact CG-CE1 3.39Å; Q170-H174 VanDerWaalsContact O-CB 3.23Å; Q170-H174 WeakPolarHBondContact O-CB 3.28Å; Q170-H174 PolarHBondContact O-CD2 2.61Å; Q170-H174 VanDerWaalsContact O-CD2 3.29Å; Q170-H174 PolarHBondContact O-N 3.25Å
171	R	70.2	Confident	79.3	Confident	119 Å²	119	76.6 Å²	76.6	45%	0.449	40%	0.395	S	S	.	.	H	α-helix	trans	-57.1	-38.8	175.4	-72	-174	-66.6	158.7	3.9	112.8	A164 T167 R168 H174 L175	A164-R171 PolarHBondContact O-NH2 3.38Å; T167-R171 WeakPolarHBondContact O-CB 3.34Å; T167-R171 VanDerWaalsContact O-CG 3.28Å; T167-R171 WeakPolarHBondContact O-CG 3.46Å; T167-R171 PolarHBondContact O-N 3.17Å; T167-R171 PolarHBondContact OG1-NE 3.23Å; R168-R171 PolarHBondContact O-N 2.91Å; R171-H174 WeakPolarHBondContact O-CB 3.47Å; R171-L175 VanDerWaalsContact O-CB 3.31Å; R171-L175 WeakPolarHBondContact O-CB 3.34Å; R171-L175 PolarHBondContact O-N 3.02Å
172	Q	74.9	Confident	79.1	Confident	83 Å²	83	75.8 Å²	75.8	39%	0.388	39%	0.387	S	S	.	.	H	α-helix	trans	-70.4	-41.2	175.7	-77.2	177.6	-8.5	0	0	112.3	R168 H169 Q170 L175 K176	R168-Q172 HydrophobicContact CG-CG 4.44Å; R168-Q172 WeakPolarHBondContact O-CB 3.35Å; R168-Q172 VanDerWaalsContact O-CG 3.23Å; R168-Q172 WeakPolarHBondContact O-CG 3.44Å; R168-Q172 PolarHBondContact O-N 2.98Å; H169-Q172 PolarHBondContact O-N 3.4Å; Q170-Q172 VanDerWaalsContact C-N 3.29Å; Q170-Q172 PolarHBondContact O-N 3.14Å; Q172-L175 PolarHBondContact O-N 3.41Å; Q172-K176 WeakPolarHBondContact O-CB 3.41Å; Q172-K176 WeakPolarHBondContact O-CG 3.39Å; Q172-K176 PolarHBondContact O-N 3.31Å
173	G	76.8	Confident	79.1	Confident	37 Å²	37	77.8 Å²	77.8	38%	0.381	39%	0.388	S	S	.	.	H	α-helix	trans	-60.2	-47.5	173.4	0	0	0	0	0	111.3	H169 Q170 L175 K176 E177	H169-G173 PolarHBondContact O-N 3.16Å; Q170-G173 PolarHBondContact O-N 3.21Å; Q170-G173 VanDerWaalsContact O-N 3.11Å; G173-L175 PolarHBondContact O-N 3.19Å; G173-K176 WeakPolarHBondContact O-CB 3.46Å; G173-K176 PolarHBondContact O-N 3.35Å; G173-E177 PolarHBondContact O-N 2.98Å
174	H	73.4	Confident	79.3	Confident	45 Å²	45	81.6 Å²	81.6	21%	0.208	41%	0.406	C	S	.	.	H	α-helix	trans	-56.5	-49.1	174	-71.6	-171.3	0	0	0	112.4	F41 Q170 R171 K176 E177 I178	F41-H174 HydrophobicContact CE2-CB 3.32Å; F41-H174 AromaticContact CE2-CD2 3.66Å; F41-H174 AromaticContact CE2-CE1 3.81Å; F41-H174 AromaticContact CE2-CG 3.19Å; F41-H174 AromaticContact CE2-ND1 3.34Å; F41-H174 VanDerWaalsContact CE2-ND1 3.34Å; F41-H174 WeakPolarHBondContact CE2-ND1 3.18Å; F41-H174 HydrophobicContact CZ-CB 3.38Å; F41-H174 AromaticContact CZ-CE1 4Å; F41-H174 AromaticContact CZ-CG 3.43Å; F41-H174 VanDerWaalsContact CZ-CG 3.43Å; F41-H174 AromaticContact CZ-ND1 3.24Å; F41-H174 WeakPolarHBondContact CZ-ND1 3.25Å; Q170-H174 VanDerWaalsContact CG-CE1 3.42Å; Q170-H174 WeakPolarHBondContact CG-CE1 3.39Å; Q170-H174 VanDerWaalsContact O-CB 3.23Å; Q170-H174 WeakPolarHBondContact O-CB 3.28Å; Q170-H174 PolarHBondContact O-CD2 2.61Å; Q170-H174 VanDerWaalsContact O-CD2 3.29Å; Q170-H174 PolarHBondContact O-N 3.25Å; R171-H174 WeakPolarHBondContact O-CB 3.47Å; H174-K176 VanDerWaalsContact C-N 3.33Å; H174-K176 PolarHBondContact O-N 3.31Å; H174-E177 PolarHBondContact O-N 3.17Å; H174-I178 WeakPolarHBondContact O-CG1 3.46Å; H174-I178 PolarHBondContact O-N 3.08Å
175	L	71.7	Confident	79.7	Confident	88 Å²	88	80 Å²	80	46%	0.461	39%	0.393	S	S	.	.	H	α-helix	trans	-62	-40.9	177.1	-176.7	64.6	0	0	0	111.8	R171 Q172 G173 E177 I178 C179	R171-L175 VanDerWaalsContact O-CB 3.31Å; R171-L175 WeakPolarHBondContact O-CB 3.34Å; R171-L175 PolarHBondContact O-N 3.02Å; Q172-L175 PolarHBondContact O-N 3.41Å; G173-L175 PolarHBondContact O-N 3.19Å; L175-E177 VanDerWaalsContact C-N 3.32Å; L175-E177 PolarHBondContact O-N 2.98Å; L175-I178 PolarHBondContact O-N 3.26Å; L175-C179 VanDerWaalsContact O-CB 3.28Å; L175-C179 WeakPolarHBondContact O-CB 3.24Å; L175-C179 PolarHBondContact O-N 2.87Å; L175-C179 PolarHBondContact O-SG 2.91Å
176	K	79.5	Confident	80	Confident	155 Å²	155	78.2 Å²	78.2	67%	0.674	38%	0.381	S	S	*	.	H	α-helix	trans	-60.8	-42.9	175.3	-76.6	175.3	-179.8	179.9	0	111.3	Q172 G173 H174 C179 A180	Q172-K176 WeakPolarHBondContact O-CB 3.41Å; Q172-K176 WeakPolarHBondContact O-CG 3.39Å; Q172-K176 PolarHBondContact O-N 3.31Å; G173-K176 WeakPolarHBondContact O-CB 3.46Å; G173-K176 PolarHBondContact O-N 3.35Å; H174-K176 VanDerWaalsContact C-N 3.33Å; H174-K176 PolarHBondContact O-N 3.31Å; K176-C179 PolarHBondContact O-N 3.33Å; K176-A180 WeakPolarHBondContact O-CB 3.37Å; K176-A180 PolarHBondContact O-N 3.48Å
177	E	81.1	Confident	80.7	Confident	109 Å²	109	79.3 Å²	79.3	51%	0.509	38%	0.38	S	S	.	.	H	α-helix	trans	-65.2	-49.1	178	-172.4	177.8	178.9	0	0	111.7	G173 H174 L175 C179 A180 K181	G173-E177 PolarHBondContact O-N 2.98Å; H174-E177 PolarHBondContact O-N 3.17Å; L175-E177 VanDerWaalsContact C-N 3.32Å; L175-E177 PolarHBondContact O-N 2.98Å; E177-C179 VanDerWaalsContact C-N 3.28Å; E177-C179 PolarHBondContact O-N 3.46Å; E177-A180 WeakPolarHBondContact O-CB 3.48Å; E177-A180 PolarHBondContact O-N 3.2Å; E177-A180 VanDerWaalsContact O-N 3.08Å; E177-K181 HydrophobicContact CG-CG 4.46Å; E177-K181 WeakPolarHBondContact O-CG 3.38Å; E177-K181 PolarHBondContact O-N 2.95Å
178	I	79	Confident	81.5	Confident	28 Å²	28	84.4 Å²	84.4	14%	0.144	40%	0.4	C	S	.	.	H	α-helix	trans	-56.7	-44.7	176	-67.6	168.3	0	0	0	110.4	F34 F41 H174 L175 K181 R182	F34-I178 HydrophobicContact CE2-CG2 3.87Å; F34-I178 HydrophobicContact CZ-CG2 3.85Å; F41-I178 HydrophobicContact CD1-CD1 3.72Å; F41-I178 HydrophobicContact CD1-CG1 4.38Å; F41-I178 HydrophobicContact CD2-CD1 4.33Å; F41-I178 HydrophobicContact CD2-CG1 4.37Å; F41-I178 HydrophobicContact CE1-CD1 3.72Å; F41-I178 HydrophobicContact CE2-CD1 4.34Å; F41-I178 HydrophobicContact CG-CD1 4.05Å; F41-I178 HydrophobicContact CG-CG1 4.22Å; F41-I178 HydrophobicContact CZ-CD1 4.06Å; H174-I178 WeakPolarHBondContact O-CG1 3.46Å; H174-I178 PolarHBondContact O-N 3.08Å; L175-I178 PolarHBondContact O-N 3.26Å; I178-K181 PolarHBondContact O-N 3.08Å; I178-R182 VanDerWaalsContact O-CB 3.3Å; I178-R182 WeakPolarHBondContact O-CB 3.32Å; I178-R182 PolarHBondContact O-N 3.42Å
179	C	80.1	Confident	82.2	Confident	51 Å²	51	78.2 Å²	78.2	35%	0.345	38%	0.377	S	S	.	.	H	α-helix	trans	-66.2	-36.7	177.1	-74.8	0	0	0	0	112.8	L175 K176 E177 R183	L175-C179 VanDerWaalsContact O-CB 3.28Å; L175-C179 WeakPolarHBondContact O-CB 3.24Å; L175-C179 PolarHBondContact O-N 2.87Å; L175-C179 PolarHBondContact O-SG 2.91Å; K176-C179 PolarHBondContact O-N 3.33Å; E177-C179 VanDerWaalsContact C-N 3.28Å; E177-C179 PolarHBondContact O-N 3.46Å; C179-R183 WeakPolarHBondContact O-CG 3.34Å; C179-R183 PolarHBondContact O-N 2.93Å; C179-R183 VanDerWaalsContact O-N 3.08Å; C179-R183 PolarHBondContact O-NE 3.48Å
180	A	87.5	Confident	83.1	Confident	44 Å²	44	73.1 Å²	73.1	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-65.5	-45.2	174	0	0	0	0	0	111.2	K176 E177 R183 Q184	K176-A180 WeakPolarHBondContact O-CB 3.37Å; K176-A180 PolarHBondContact O-N 3.48Å; E177-A180 WeakPolarHBondContact O-CB 3.48Å; E177-A180 PolarHBondContact O-N 3.2Å; E177-A180 VanDerWaalsContact O-N 3.08Å; A180-R183 PolarHBondContact O-N 3.33Å; A180-Q184 WeakPolarHBondContact O-CB 3.45Å; A180-Q184 PolarHBondContact O-N 3.46Å
181	K	85.8	Confident	84	Confident	57 Å²	57	75.7 Å²	75.7	25%	0.248	38%	0.375	C	S	.	.	H	α-helix	trans	-65.6	-40.9	176.6	-67.9	-55.5	-173.5	-179.1	0	112.7	H37 E177 I178 R183 Q184 C185	H37-K181 HydrophobicContact CB-CB 4.23Å; H37-K181 HydrophobicContact CB-CG 4.33Å; E177-K181 HydrophobicContact CG-CG 4.46Å; E177-K181 WeakPolarHBondContact O-CG 3.38Å; E177-K181 PolarHBondContact O-N 2.95Å; I178-K181 PolarHBondContact O-N 3.08Å; K181-R183 VanDerWaalsContact C-N 3.33Å; K181-R183 PolarHBondContact O-N 3.17Å; K181-Q184 VanDerWaalsContact CD-OE1 3.28Å; K181-Q184 VanDerWaalsContact NZ-OE1 3.11Å; K181-Q184 WeakPolarHBondContact O-CB 3.07Å; K181-Q184 PolarHBondContact O-N 3.17Å; K181-C185 PolarHBondContact O-N 3.44Å; K181-C185 PolarHBondContact O-SG 3.42Å; K181-C185 VanDerWaalsContact O-SG 3.38Å
182	R	84.6	Confident	84.9	Confident	88 Å²	88	74 Å²	74	33%	0.332	37%	0.372	S	S	.	.	H	α-helix	trans	-54.5	-50.8	171.4	-174.8	-176.6	173.4	-179.7	1.6	110.7	Y30 F34 I178 Q184 C185 F186	Y30-R182 HydrophobicContact CE2-CG 4.4Å; Y30-R182 WeakPolarHBondContact OH-CG 3.13Å; Y30-R182 PolarHBondContact OH-NE 2.8Å; F34-R182 HydrophobicContact CD2-CB 4.01Å; F34-R182 HydrophobicContact CD2-CG 4.45Å; F34-R182 HydrophobicContact CE2-CB 3.68Å; F34-R182 HydrophobicContact CE2-CG 4.25Å; F34-R182 HydrophobicContact CZ-CB 4.35Å; I178-R182 VanDerWaalsContact O-CB 3.3Å; I178-R182 WeakPolarHBondContact O-CB 3.32Å; I178-R182 PolarHBondContact O-N 3.42Å; R182-Q184 PolarHBondContact O-N 3.17Å; R182-C185 PolarHBondContact O-N 3.06Å; R182-F186 WeakPolarHBondContact O-CB 3.49Å; R182-F186 PolarHBondContact O-N 3.11Å
183	R	89.1	Confident	85.5	Confident	181 Å²	181	70.2 Å²	70.2	68%	0.683	35%	0.354	S	S	*	.	H	α-helix	trans	-61.2	-42.5	177.5	-75.2	-175.9	-71.8	175.9	-0.8	112.2	C179 A180 K181 F186 S187	C179-R183 WeakPolarHBondContact O-CG 3.34Å; C179-R183 PolarHBondContact O-N 2.93Å; C179-R183 VanDerWaalsContact O-N 3.08Å; C179-R183 PolarHBondContact O-NE 3.48Å; A180-R183 PolarHBondContact O-N 3.33Å; K181-R183 VanDerWaalsContact C-N 3.33Å; K181-R183 PolarHBondContact O-N 3.17Å; R183-F186 PolarHBondContact O-N 3.44Å; R183-S187 PolarHBondContact O-N 2.76Å
184	Q	91.6	Very high	86	Confident	94 Å²	94	70.7 Å²	70.7	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-62.3	-41.1	176.9	-177.4	-178.2	27.6	0	0	112.7	A180 K181 R182 S187	A180-Q184 WeakPolarHBondContact O-CB 3.45Å; A180-Q184 PolarHBondContact O-N 3.46Å; K181-Q184 VanDerWaalsContact CD-OE1 3.28Å; K181-Q184 VanDerWaalsContact NZ-OE1 3.11Å; K181-Q184 WeakPolarHBondContact O-CB 3.07Å; K181-Q184 PolarHBondContact O-N 3.17Å; R182-Q184 PolarHBondContact O-N 3.17Å; Q184-S187 PolarHBondContact O-OG 3.44Å
185	C	90	Very high	86.6	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-71.4	-40.8	175.9	-66.6	0	0	0	0	110.9	Y30 C33 F34 K181 R182 S187 K188	Y30-C185 HydrophobicContact CD2-CB 3.76Å; Y30-C185 HydrophobicContact CE2-CB 4.05Å; C33-C185 HydrophobicContact CB-CB 3.66Å; C33-C185 WeakPolarHBondContact CB-SG 3.38Å; C33-C185 VanDerWaalsContact SG-CA 3.52Å; C33-C185 WeakPolarHBondContact SG-CB 3.38Å; C33-C185 CovalentContact SG-SG 2.05Å; C33-C185 PolarHBondContact SG-SG 3.05Å; F34-C185 HydrophobicContact CB-CB 4.4Å; F34-C185 PolarHBondContact N-SG 3.06Å; F34-C185 VanDerWaalsContact N-SG 3.4Å; K181-C185 PolarHBondContact O-N 3.44Å; K181-C185 PolarHBondContact O-SG 3.42Å; K181-C185 VanDerWaalsContact O-SG 3.38Å; R182-C185 PolarHBondContact O-N 3.06Å; C185-S187 VanDerWaalsContact C-N 3.27Å; C185-S187 PolarHBondContact O-N 2.57Å; C185-K188 WeakPolarHBondContact O-CB 3.28Å; C185-K188 PolarHBondContact O-N 2.87Å; C185-K188 VanDerWaalsContact O-N 3.16Å
186	F	89.1	Confident	87	Confident	31 Å²	31	72.8 Å²	72.8	14%	0.136	35%	0.353	C	S	.	.	H	α-helix	trans	-69.3	-23.1	-179.1	-163.3	-112.8	0	0	0	113	Y30 R182 R183 K188 I189 K194 F197 H198	Y30-F186 HydrophobicContact CD2-CB 4.05Å; Y30-F186 HydrophobicContact CD2-CD2 4.02Å; Y30-F186 HydrophobicContact CE2-CB 3.78Å; Y30-F186 AromaticContact CE2-CD2 3.85Å; Y30-F186 HydrophobicContact CE2-CD2 3.85Å; Y30-F186 HydrophobicContact CE2-CG 4.31Å; Y30-F186 HydrophobicContact CG-CD2 4.46Å; R182-F186 WeakPolarHBondContact O-CB 3.49Å; R182-F186 PolarHBondContact O-N 3.11Å; R183-F186 PolarHBondContact O-N 3.44Å; F186-K188 PolarHBondContact O-N 3.09Å; F186-I189 HydrophobicContact CD2-CD1 3.81Å; F186-I189 HydrophobicContact CD2-CG1 4.35Å; F186-I189 HydrophobicContact CE2-CD1 3.64Å; F186-I189 HydrophobicContact CE2-CG1 4.49Å; F186-I189 HydrophobicContact CZ-CD1 4.38Å; F186-I189 VanDerWaalsContact O-CG1 3.29Å; F186-I189 WeakPolarHBondContact O-CG1 3.24Å; F186-K194 HydrophobicContact CD1-CD 4.18Å; F186-K194 HydrophobicContact CD1-CG 4.09Å; F186-K194 HydrophobicContact CE1-CB 3.76Å; F186-K194 HydrophobicContact CE1-CD 3.8Å; F186-K194 HydrophobicContact CE1-CG 3.48Å; F186-K194 VanDerWaalsContact CE1-CG 3.48Å; F186-K194 HydrophobicContact CE2-CB 4.48Å; F186-K194 HydrophobicContact CE2-CG 4.21Å; F186-K194 HydrophobicContact CZ-CB 3.58Å; F186-K194 HydrophobicContact CZ-CD 4.39Å; F186-K194 HydrophobicContact CZ-CG 3.56Å; F186-K194 VanDerWaalsContact O-CE 3.23Å; F186-K194 WeakPolarHBondContact O-CE 3.42Å; F186-F197 HydrophobicContact CD2-CD1 4.44Å; F186-F197 HydrophobicContact CE2-CB 3.9Å; F186-F197 AromaticContact CE2-CD1 3.38Å; F186-F197 HydrophobicContact CE2-CD1 3.38Å; F186-F197 HydrophobicContact CE2-CD2 4.2Å; F186-F197 AromaticContact CE2-CE1 3.93Å; F186-F197 HydrophobicContact CE2-CE1 3.93Å; F186-F197 AromaticContact CE2-CG 3.55Å; F186-F197 HydrophobicContact CE2-CG 3.55Å; F186-F197 HydrophobicContact CZ-CB 4.21Å; F186-F197 AromaticContact CZ-CD1 3.66Å; F186-F197 HydrophobicContact CZ-CD1 3.66Å; F186-F197 HydrophobicContact CZ-CE1 4.35Å; F186-F197 HydrophobicContact CZ-CG 4.11Å; F186-H198 AromaticContact CE1-NE2 3.63Å; F186-H198 AromaticContact CZ-NE2 3.65Å
187	S	92.9	Very high	87	Confident	81 Å²	81	65.6 Å²	65.6	57%	0.566	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-9.3	173.9	67.8	0	0	0	0	113.6	R183 Q184 C185	R183-S187 PolarHBondContact O-N 2.76Å; Q184-S187 PolarHBondContact O-OG 3.44Å; C185-S187 VanDerWaalsContact C-N 3.27Å; C185-S187 PolarHBondContact O-N 2.57Å
188	K	91.5	Very high	87.1	Confident	128 Å²	128	64.9 Å²	64.9	56%	0.557	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-9.3	179.8	-62.4	-178.9	177.2	-178.8	0	113.8	C185 F186	C185-K188 WeakPolarHBondContact O-CB 3.28Å; C185-K188 PolarHBondContact O-N 2.87Å; C185-K188 VanDerWaalsContact O-N 3.16Å; F186-K188 PolarHBondContact O-N 3.09Å
189	I	89.6	Confident	87.1	Confident	7 Å²	7	68.1 Å²	68.1	4%	0.036	33%	0.331	C	S	.	.	S	Bend	trans	-103.2	155.2	178.3	67.1	169.1	0	0	0	110.5	E26 L27 F186 C193 K194	E26-I189 HydrophobicContact CB-CB 4.13Å; E26-I189 HydrophobicContact CB-CG2 3.88Å; E26-I189 WeakPolarHBondContact O-CG2 3.48Å; E26-I189 WeakPolarHBondContact OE2-CA 3.28Å; E26-I189 WeakPolarHBondContact OE2-CB 3.45Å; L27-I189 HydrophobicContact CD2-CD1 3.8Å; F186-I189 HydrophobicContact CD2-CD1 3.81Å; F186-I189 HydrophobicContact CD2-CG1 4.35Å; F186-I189 HydrophobicContact CE2-CD1 3.64Å; F186-I189 HydrophobicContact CE2-CG1 4.49Å; F186-I189 HydrophobicContact CZ-CD1 4.38Å; F186-I189 VanDerWaalsContact O-CG1 3.29Å; F186-I189 WeakPolarHBondContact O-CG1 3.24Å; I189-C193 HydrophobicContact CB-CB 4.39Å; I189-C193 HydrophobicContact CD1-CB 4.21Å; I189-K194 HydrophobicContact CD1-CG 3.98Å; I189-K194 HydrophobicContact CG1-CG 3.79Å; I189-K194 WeakPolarHBondContact O-CE 3.5Å; I189-K194 PolarHBondContact O-NZ 3.2Å
190	S	92.5	Very high	86.9	Confident	43 Å²	43	66 Å²	66	30%	0.301	32%	0.317	S	S	.	.			trans	-65.4	154.7	-180	67.3	0	0	0	0	111.5	E26 H192 C193 K194	E26-S190 WeakPolarHBondContact OE1-CB 3.45Å; E26-S190 PolarHBondContact OE1-OG 2.7Å; E26-S190 WeakPolarHBondContact OE2-CB 3.49Å; E26-S190 PolarHBondContact OE2-N 3.08Å; E26-S190 PolarHBondContact OE2-OG 3.19Å; S190-H192 VanDerWaalsContact C-N 3.27Å; S190-H192 PolarHBondContact O-N 3.25Å; S190-C193 PolarHBondContact O-N 2.88Å; S190-C193 WeakPolarHBondContact OG-CB 3.5Å; S190-C193 PolarHBondContact OG-N 3.49Å; S190-C193 PolarHBondContact OG-SG 3.29Å; S190-K194 WeakPolarHBondContact O-CG 3.32Å; S190-K194 PolarHBondContact O-N 3.29Å
191	D	93.5	Very high	86.3	Confident	121 Å²	121	67.6 Å²	67.6	65%	0.647	32%	0.315	S	S	*	.	H	α-helix	trans	-63.3	-35.6	-177.8	-67.9	-26.3	0	0	0	112.3	C193 K194 E195	D191-C193 VanDerWaalsContact C-N 3.34Å; D191-C193 PolarHBondContact O-N 2.75Å; D191-K194 WeakPolarHBondContact O-CB 3.49Å; D191-K194 PolarHBondContact O-N 2.98Å; D191-K194 IonicContact OD1-NZ 3.8Å; D191-K194 PolarHBondContact OD1-NZ 2.95Å; D191-E195 PolarHBondContact O-N 2.85Å
192	H	89.2	Confident	86	Confident	84 Å²	84	71.6 Å²	71.6	39%	0.389	34%	0.335	S	S	.	.	H	α-helix	trans	-55.7	-48.2	169.9	176.5	64.9	0	0	0	111.6	D22 C23 S190 K194 E195 Q196	D22-H192 VanDerWaalsContact CG-NE2 3.32Å; D22-H192 IonicContact OD1-NE2 3.55Å; D22-H192 IonicContact OD2-CD2 3.29Å; D22-H192 IonicContact OD2-CE1 3.43Å; D22-H192 PolarHBondContact OD2-CE1 2.84Å; D22-H192 IonicContact OD2-NE2 2.68Å; D22-H192 PolarHBondContact OD2-NE2 3.45Å; C23-H192 VanDerWaalsContact SG-CD2 3.58Å; S190-H192 VanDerWaalsContact C-N 3.27Å; S190-H192 PolarHBondContact O-N 3.25Å; H192-K194 VanDerWaalsContact C-N 3.33Å; H192-K194 PolarHBondContact O-N 3.02Å; H192-E195 WeakPolarHBondContact O-CB 3.37Å; H192-E195 PolarHBondContact O-N 3.43Å; H192-E195 VanDerWaalsContact O-N 3.16Å; H192-Q196 PolarHBondContact O-N 3.4Å
193	C	87.3	Confident	85.7	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.014	32%	0.324	C	S	.	.	H	α-helix	trans	-71.2	-26.8	179.1	-62.7	0	0	0	0	114	C23 E26 I189 S190 D191 F197	C23-C193 VanDerWaalsContact CA-SG 3.58Å; C23-C193 HydrophobicContact CB-CB 3.5Å; C23-C193 WeakPolarHBondContact CB-SG 3.17Å; C23-C193 WeakPolarHBondContact SG-CA 3.35Å; C23-C193 WeakPolarHBondContact SG-CB 3.31Å; C23-C193 CovalentContact SG-SG 2.02Å; C23-C193 PolarHBondContact SG-SG 3.42Å; E26-C193 HydrophobicContact CB-CB 4.33Å; E26-C193 VanDerWaalsContact CD-SG 3.57Å; E26-C193 PolarHBondContact OE1-SG 2.86Å; I189-C193 HydrophobicContact CB-CB 4.39Å; I189-C193 HydrophobicContact CD1-CB 4.21Å; S190-C193 PolarHBondContact O-N 2.88Å; S190-C193 WeakPolarHBondContact OG-CB 3.5Å; S190-C193 PolarHBondContact OG-N 3.49Å; S190-C193 PolarHBondContact OG-SG 3.29Å; D191-C193 VanDerWaalsContact C-N 3.34Å; D191-C193 PolarHBondContact O-N 2.75Å; C193-F197 VanDerWaalsContact O-CB 3.29Å; C193-F197 WeakPolarHBondContact O-CB 3.21Å; C193-F197 PolarHBondContact O-N 2.9Å
194	K	87.8	Confident	84.9	Confident	47 Å²	47	60.7 Å²	60.7	20%	0.204	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-42.8	168.5	-63.9	175.9	-167.4	142.6	0	111.1	F186 I189 S190 D191 H192 F197 H198	F186-K194 HydrophobicContact CD1-CD 4.18Å; F186-K194 HydrophobicContact CD1-CG 4.09Å; F186-K194 HydrophobicContact CE1-CB 3.76Å; F186-K194 HydrophobicContact CE1-CD 3.8Å; F186-K194 HydrophobicContact CE1-CG 3.48Å; F186-K194 VanDerWaalsContact CE1-CG 3.48Å; F186-K194 HydrophobicContact CE2-CB 4.48Å; F186-K194 HydrophobicContact CE2-CG 4.21Å; F186-K194 HydrophobicContact CZ-CB 3.58Å; F186-K194 HydrophobicContact CZ-CD 4.39Å; F186-K194 HydrophobicContact CZ-CG 3.56Å; F186-K194 VanDerWaalsContact O-CE 3.23Å; F186-K194 WeakPolarHBondContact O-CE 3.42Å; I189-K194 HydrophobicContact CD1-CG 3.98Å; I189-K194 HydrophobicContact CG1-CG 3.79Å; I189-K194 WeakPolarHBondContact O-CE 3.5Å; I189-K194 PolarHBondContact O-NZ 3.2Å; S190-K194 WeakPolarHBondContact O-CG 3.32Å; S190-K194 PolarHBondContact O-N 3.29Å; D191-K194 WeakPolarHBondContact O-CB 3.49Å; D191-K194 PolarHBondContact O-N 2.98Å; D191-K194 IonicContact OD1-NZ 3.8Å; D191-K194 PolarHBondContact OD1-NZ 2.95Å; H192-K194 VanDerWaalsContact C-N 3.33Å; H192-K194 PolarHBondContact O-N 3.02Å; K194-F197 WeakPolarHBondContact O-CB 3.38Å; K194-F197 PolarHBondContact O-N 3.38Å; K194-H198 PolarHBondContact O-CD2 3.29Å; K194-H198 PolarHBondContact O-N 2.95Å
195	E	85.7	Confident	84	Confident	131 Å²	131	60.6 Å²	60.6	61%	0.612	30%	0.295	S	S	*	.	H	α-helix	trans	-62	-47.5	176.5	-172.1	177.6	179.3	0	0	111.1	D191 H192 F197 H198 K199	D191-E195 PolarHBondContact O-N 2.85Å; H192-E195 WeakPolarHBondContact O-CB 3.37Å; H192-E195 PolarHBondContact O-N 3.43Å; H192-E195 VanDerWaalsContact O-N 3.16Å; E195-F197 VanDerWaalsContact C-N 3.33Å; E195-F197 PolarHBondContact O-N 3.11Å; E195-H198 PolarHBondContact O-N 3.22Å; E195-H198 VanDerWaalsContact O-N 3.14Å; E195-K199 WeakPolarHBondContact O-CB 3.42Å; E195-K199 PolarHBondContact O-N 2.8Å
196	Q	79.1	Confident	83.6	Confident	47 Å²	47	64.5 Å²	64.5	22%	0.22	31%	0.312	C	S	.	.	H	α-helix	trans	-59.4	-43.2	175.1	-65.5	-52.2	-37.3	0	0	111.9	H192 H198 K199 T200	H192-Q196 PolarHBondContact O-N 3.4Å; Q196-H198 VanDerWaalsContact C-N 3.34Å; Q196-H198 PolarHBondContact O-N 2.91Å; Q196-K199 PolarHBondContact O-N 2.82Å; Q196-T200 WeakPolarHBondContact O-CB 3.42Å; Q196-T200 PolarHBondContact O-N 3.41Å; Q196-T200 PolarHBondContact O-OG1 2.61Å
197	F	80.5	Confident	83.1	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.018	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-44	174.5	178	-89.9	0	0	0	112.3	L12 L27 Y30 F31 F186 C193 K194 E195 K201	L12-F197 HydrophobicContact CD2-CE2 3.89Å; L12-F197 HydrophobicContact CD2-CZ 4.43Å; L27-F197 HydrophobicContact CD2-CB 4.09Å; L27-F197 HydrophobicContact CD2-CD2 4.02Å; Y30-F197 HydrophobicContact CD1-CE2 4.26Å; Y30-F197 HydrophobicContact CE1-CD2 4.32Å; Y30-F197 AromaticContact CE1-CE2 3.6Å; Y30-F197 HydrophobicContact CE1-CE2 3.6Å; Y30-F197 HydrophobicContact CE1-CZ 4.04Å; F31-F197 HydrophobicContact CE1-CE2 4.12Å; F31-F197 HydrophobicContact CZ-CD2 4.41Å; F31-F197 HydrophobicContact CZ-CE2 4.02Å; F186-F197 HydrophobicContact CD2-CD1 4.44Å; F186-F197 HydrophobicContact CE2-CB 3.9Å; F186-F197 AromaticContact CE2-CD1 3.38Å; F186-F197 HydrophobicContact CE2-CD1 3.38Å; F186-F197 HydrophobicContact CE2-CD2 4.2Å; F186-F197 AromaticContact CE2-CE1 3.93Å; F186-F197 HydrophobicContact CE2-CE1 3.93Å; F186-F197 AromaticContact CE2-CG 3.55Å; F186-F197 HydrophobicContact CE2-CG 3.55Å; F186-F197 HydrophobicContact CZ-CB 4.21Å; F186-F197 AromaticContact CZ-CD1 3.66Å; F186-F197 HydrophobicContact CZ-CD1 3.66Å; F186-F197 HydrophobicContact CZ-CE1 4.35Å; F186-F197 HydrophobicContact CZ-CG 4.11Å; C193-F197 VanDerWaalsContact O-CB 3.29Å; C193-F197 WeakPolarHBondContact O-CB 3.21Å; C193-F197 PolarHBondContact O-N 2.9Å; K194-F197 WeakPolarHBondContact O-CB 3.38Å; K194-F197 PolarHBondContact O-N 3.38Å; E195-F197 VanDerWaalsContact C-N 3.33Å; E195-F197 PolarHBondContact O-N 3.11Å; F197-K201 WeakPolarHBondContact O-CB 3.49Å; F197-K201 PolarHBondContact O-N 3.37Å
198	H	83	Confident	82.1	Confident	93 Å²	93	61 Å²	61	43%	0.431	29%	0.291	S	S	.	.	H	α-helix	trans	-67.4	-44.2	179.3	-76	-56.4	0	0	0	112.3	F186 K194 E195 Q196 T200 K201 Q202	F186-H198 AromaticContact CE1-NE2 3.63Å; F186-H198 AromaticContact CZ-NE2 3.65Å; K194-H198 PolarHBondContact O-CD2 3.29Å; K194-H198 PolarHBondContact O-N 2.95Å; E195-H198 PolarHBondContact O-N 3.22Å; E195-H198 VanDerWaalsContact O-N 3.14Å; Q196-H198 VanDerWaalsContact C-N 3.34Å; Q196-H198 PolarHBondContact O-N 2.91Å; H198-T200 VanDerWaalsContact C-N 3.33Å; H198-T200 PolarHBondContact O-N 2.65Å; H198-K201 PolarHBondContact O-N 3.23Å; H198-Q202 WeakPolarHBondContact O-CG 3.28Å; H198-Q202 PolarHBondContact O-N 2.91Å
199	K	79.7	Confident	81.1	Confident	96 Å²	96	55.9 Å²	55.9	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-57.9	-48.4	174.5	-176.2	-178.1	178.3	-172.4	0	110.8	E195 Q196 K201 Q202 L203	E195-K199 WeakPolarHBondContact O-CB 3.42Å; E195-K199 PolarHBondContact O-N 2.8Å; Q196-K199 PolarHBondContact O-N 2.82Å; K199-K201 PolarHBondContact O-N 3.42Å; K199-Q202 PolarHBondContact O-N 3.22Å; K199-L203 HydrophobicContact CG-CD1 4.28Å; K199-L203 WeakPolarHBondContact O-CG 3.3Å; K199-L203 PolarHBondContact O-N 3.14Å
200	T	74.7	Confident	80.2	Confident	6 Å²	6	60.8 Å²	60.8	4%	0.037	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-43.9	176.7	-66.6	0	0	0	0	112.2	Y15 M110 Q196 H198 Q202 L203 L204	Y15-T200 HydrophobicContact CD1-CG2 4.38Å; Y15-T200 HydrophobicContact CE1-CG2 3.18Å; Y15-T200 WeakPolarHBondContact OH-CG2 3.34Å; M110-T200 HydrophobicContact CE-CG2 4.1Å; M110-T200 PolarHBondContact SD-OG1 3.45Å; Q196-T200 WeakPolarHBondContact O-CB 3.42Å; Q196-T200 PolarHBondContact O-N 3.41Å; Q196-T200 PolarHBondContact O-OG1 2.61Å; H198-T200 VanDerWaalsContact C-N 3.33Å; H198-T200 PolarHBondContact O-N 2.65Å; T200-Q202 VanDerWaalsContact C-N 3.33Å; T200-Q202 PolarHBondContact O-N 3.03Å; T200-L203 PolarHBondContact O-N 2.82Å; T200-L204 WeakPolarHBondContact O-CB 3.23Å; T200-L204 PolarHBondContact O-N 3.3Å
201	K	75.2	Confident	79.2	Confident	78 Å²	78	63 Å²	63	34%	0.339	31%	0.306	S	S	.	.	H	α-helix	trans	-60.8	-42.8	175.7	-172.2	-166.3	177.1	-157	0	111.4	F197 H198 K199 L204 K205	F197-K201 WeakPolarHBondContact O-CB 3.49Å; F197-K201 PolarHBondContact O-N 3.37Å; H198-K201 PolarHBondContact O-N 3.23Å; K199-K201 PolarHBondContact O-N 3.42Å; K201-L204 PolarHBondContact O-N 2.97Å; K201-K205 PolarHBondContact O-N 2.68Å
202	Q	79.3	Confident	78	Confident	141 Å²	141	57.8 Å²	57.8	66%	0.659	28%	0.279	S	S	*	.	H	α-helix	trans	-65.9	-43.4	177.7	-73.3	175.8	-17.3	0	0	111.5	H198 K199 T200 K205 K206	H198-Q202 WeakPolarHBondContact O-CG 3.28Å; H198-Q202 PolarHBondContact O-N 2.91Å; K199-Q202 PolarHBondContact O-N 3.22Å; T200-Q202 VanDerWaalsContact C-N 3.33Å; T200-Q202 PolarHBondContact O-N 3.03Å; Q202-K205 PolarHBondContact O-N 3.14Å; Q202-K206 WeakPolarHBondContact O-CB 3.28Å; Q202-K206 PolarHBondContact O-N 2.66Å
203	L	78	Confident	77.2	Confident	19 Å²	19	57.7 Å²	57.7	10%	0.099	28%	0.281	C	S	.	.	H	α-helix	trans	-60.9	-45.5	174.4	-75.2	173.1	0	0	0	111.6	E109 M110 K199 T200 K205 K206 C207	E109-L203 HydrophobicContact CB-CD1 3.92Å; E109-L203 HydrophobicContact CB-CD2 3.89Å; E109-L203 HydrophobicContact CG-CD2 3.8Å; M110-L203 HydrophobicContact CG-CD1 3.81Å; M110-L203 HydrophobicContact SD-CD1 4Å; K199-L203 HydrophobicContact CG-CD1 4.28Å; K199-L203 WeakPolarHBondContact O-CG 3.3Å; K199-L203 PolarHBondContact O-N 3.14Å; T200-L203 PolarHBondContact O-N 2.82Å; L203-K205 PolarHBondContact O-N 3.07Å; L203-K206 PolarHBondContact O-N 3.21Å; L203-C207 WeakPolarHBondContact O-CB 3.32Å; L203-C207 PolarHBondContact O-N 2.78Å; L203-C207 PolarHBondContact O-SG 3.31Å
204	L	73.4	Confident	76.4	Confident	21 Å²	21	58.5 Å²	58.5	11%	0.11	29%	0.285	C	S	.	.	H	α-helix	trans	-58.5	-49.3	176	179.9	63.7	0	0	0	110.7	I11 I106 F115 T200 K201 K206 C207 S208	I11-L204 HydrophobicContact CG2-CD1 3.93Å; I11-L204 HydrophobicContact CG2-CD2 3.59Å; I11-L204 HydrophobicContact CG2-CG 4.43Å; I106-L204 HydrophobicContact CD1-CB 4.36Å; I106-L204 HydrophobicContact CD1-CD1 3.76Å; F115-L204 HydrophobicContact CE1-CD1 4.16Å; F115-L204 HydrophobicContact CZ-CD1 3.94Å; T200-L204 WeakPolarHBondContact O-CB 3.23Å; T200-L204 PolarHBondContact O-N 3.3Å; K201-L204 PolarHBondContact O-N 2.97Å; L204-K206 PolarHBondContact O-N 3.23Å; L204-C207 PolarHBondContact O-N 3.2Å; L204-S208 VanDerWaalsContact O-CB 3.25Å; L204-S208 WeakPolarHBondContact O-CB 3.15Å; L204-S208 PolarHBondContact O-N 3.47Å; L204-S208 PolarHBondContact O-OG 3.28Å
205	K	73.2	Confident	75.7	Confident	92 Å²	92	60.7 Å²	60.7	40%	0.4	30%	0.299	S	S	.	.	H	α-helix	trans	-56.5	-49.3	176.8	-178.9	176.2	177.4	171.2	0	111.4	K201 Q202 L203 C209	K201-K205 PolarHBondContact O-N 2.68Å; Q202-K205 PolarHBondContact O-N 3.14Å; L203-K205 PolarHBondContact O-N 3.07Å; K205-C209 WeakPolarHBondContact O-CA 3.42Å; K205-C209 WeakPolarHBondContact O-CB 3.37Å; K205-C209 PolarHBondContact O-N 2.86Å; K205-C209 PolarHBondContact O-SG 3.37Å
206	K	79.7	Confident	75.2	Confident	83 Å²	83	58.6 Å²	58.6	36%	0.361	29%	0.291	S	S	.	.	I	π-helix	trans	-57.9	-53.7	177.8	-178.3	-169.5	171.2	-166	0	111.1	Q202 L203 L204 S208 D210 D211	Q202-K206 WeakPolarHBondContact O-CB 3.28Å; Q202-K206 PolarHBondContact O-N 2.66Å; L203-K206 PolarHBondContact O-N 3.21Å; L204-K206 PolarHBondContact O-N 3.23Å; K206-S208 VanDerWaalsContact C-N 3.35Å; K206-S208 PolarHBondContact O-N 3.05Å; K206-D210 HydrophobicContact CG-CB 4.39Å; K206-D210 WeakPolarHBondContact O-CA 3.32Å; K206-D210 WeakPolarHBondContact O-CB 3.36Å; K206-D210 PolarHBondContact O-N 3.49Å; K206-D211 VanDerWaalsContact CE-OD2 3.27Å; K206-D211 WeakPolarHBondContact CE-OD2 3.23Å; K206-D211 PolarHBondContact O-N 3.44Å
207	C	79.4	Confident	74.9	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.007	28%	0.281	C	S	.	.	I	π-helix	trans	-72.9	-21.6	-173.6	-70	0	0	0	0	114.7	C105 I106 L203 L204 V212	C105-C207 HydrophobicContact CB-CB 3.5Å; C105-C207 WeakPolarHBondContact CB-SG 3.48Å; C105-C207 WeakPolarHBondContact SG-CA 3.37Å; C105-C207 WeakPolarHBondContact SG-CB 3.35Å; C105-C207 CovalentContact SG-SG 2.04Å; C105-C207 PolarHBondContact SG-SG 2.03Å; I106-C207 HydrophobicContact CD1-CB 4.44Å; I106-C207 HydrophobicContact CG1-CB 3.8Å; I106-C207 PolarHBondContact N-SG 3Å; L203-C207 WeakPolarHBondContact O-CB 3.32Å; L203-C207 PolarHBondContact O-N 2.78Å; L203-C207 PolarHBondContact O-SG 3.31Å; L204-C207 PolarHBondContact O-N 3.2Å; C207-V212 WeakPolarHBondContact O-CG2 3.34Å
208	S	71.6	Confident	74.4	Confident	36 Å²	36	58 Å²	58	25%	0.252	29%	0.288	S	S	.	.	I	π-helix	trans	-103.9	-14.8	178.9	74.1	0	0	0	0	113.8	L204 K206 V212 H246	L204-S208 VanDerWaalsContact O-CB 3.25Å; L204-S208 WeakPolarHBondContact O-CB 3.15Å; L204-S208 PolarHBondContact O-N 3.47Å; L204-S208 PolarHBondContact O-OG 3.28Å; K206-S208 VanDerWaalsContact C-N 3.35Å; K206-S208 PolarHBondContact O-N 3.05Å; S208-V212 WeakPolarHBondContact O-CG2 3.31Å; S208-H246 PolarHBondContact O-NE2 3.24Å
209	C	70.4	Confident	73.9	Confident	21 Å²	21	56.3 Å²	56.3	14%	0.142	29%	0.29	C	S	.	.	I	π-helix	trans	-127	-52.3	-173.5	-52.1	0	0	0	0	112.3	K205 C248	K205-C209 WeakPolarHBondContact O-CA 3.42Å; K205-C209 WeakPolarHBondContact O-CB 3.37Å; K205-C209 PolarHBondContact O-N 2.86Å; K205-C209 PolarHBondContact O-SG 3.37Å; C209-C248 HydrophobicContact CB-CB 3.51Å; C209-C248 WeakPolarHBondContact CB-SG 3.48Å; C209-C248 WeakPolarHBondContact SG-CB 3.09Å; C209-C248 CovalentContact SG-SG 2.03Å; C209-C248 PolarHBondContact SG-SG 2.95Å
210	D	71	Confident	73.7	Confident	111 Å²	111	55.3 Å²	55.3	59%	0.594	29%	0.289	S	S	*	.	I	π-helix	trans	-78.8	-38.8	-171.4	-56.4	-20.5	0	0	0	111.1	K206	K206-D210 HydrophobicContact CG-CB 4.39Å; K206-D210 WeakPolarHBondContact O-CA 3.32Å; K206-D210 WeakPolarHBondContact O-CB 3.36Å; K206-D210 PolarHBondContact O-N 3.49Å
211	D	72.1	Confident	73.6	Confident	89 Å²	89	55.4 Å²	55.4	48%	0.476	29%	0.289	S	S	.	.	S	Bend	trans	-95	-8.9	-177.1	-68.1	-21.6	0	0	0	113.4	K206 N213	K206-D211 VanDerWaalsContact CE-OD2 3.27Å; K206-D211 WeakPolarHBondContact CE-OD2 3.23Å; K206-D211 PolarHBondContact O-N 3.44Å; D211-N213 PolarHBondContact O-N 3.45Å
212	V	68.5	Low	73.3	Confident	12 Å²	12	52.9 Å²	52.9	7%	0.073	28%	0.28	C	S	.	.			trans	-86.8	109.4	179.8	-179.7	0	0	0	0	110.1	M101 C207 S208 I214 H246	M101-V212 HydrophobicContact SD-CG2 4.23Å; C207-V212 WeakPolarHBondContact O-CG2 3.34Å; S208-V212 WeakPolarHBondContact O-CG2 3.31Å; V212-I214 PolarHBondContact O-N 3.49Å; V212-H246 WeakPolarHBondContact CB-NE2 3.2Å; V212-H246 WeakPolarHBondContact CG1-NE2 3.13Å
213	N	72.2	Confident	73.1	Confident	81 Å²	81	53.6 Å²	53.6	43%	0.433	28%	0.281	S	S	.	.			trans	-76.9	94	168.7	-172.5	-18.5	0	0	0	110.1	D211 D215 I216	D211-N213 PolarHBondContact O-N 3.45Å; N213-D215 PolarHBondContact O-N 3.01Å; N213-D215 VanDerWaalsContact O-N 3.13Å; N213-D215 WeakPolarHBondContact OD1-CB 3.33Å; N213-D215 PolarHBondContact OD1-N 3.45Å; N213-I216 HydrophobicContact CB-CD1 4Å; N213-I216 HydrophobicContact CB-CG1 4.18Å; N213-I216 PolarHBondContact O-N 3.38Å
214	I	69.9	Low	72.8	Confident	19 Å²	19	54.9 Å²	54.9	10%	0.097	29%	0.291	C	S	.	.	H	α-helix	trans	-57	-26.7	178.9	-166.3	57	0	0	0	113	M98 V212 I216 H217 K218 H246	M98-I214 HydrophobicContact CE-CD1 3.26Å; V212-I214 PolarHBondContact O-N 3.49Å; I214-I216 VanDerWaalsContact C-N 3.32Å; I214-I216 PolarHBondContact O-N 2.97Å; I214-H217 HydrophobicContact CD1-CB 4.42Å; I214-H217 PolarHBondContact O-N 2.9Å; I214-H217 VanDerWaalsContact O-N 3.16Å; I214-K218 HydrophobicContact CG1-CG 4.49Å; I214-K218 WeakPolarHBondContact O-CG 3.33Å; I214-K218 PolarHBondContact O-N 3.3Å; I214-H246 HydrophobicContact CD1-CB 3.88Å; I214-H246 HydrophobicContact CG1-CB 4.22Å
215	D	72.4	Confident	72.5	Confident	93 Å²	93	54.1 Å²	54.1	50%	0.497	29%	0.287	S	S	.	.	H	α-helix	trans	-69.6	-31.1	-177.6	-61.6	-33	0	0	0	112.1	N213 H217 K218 A219	N213-D215 PolarHBondContact O-N 3.01Å; N213-D215 VanDerWaalsContact O-N 3.13Å; N213-D215 WeakPolarHBondContact OD1-CB 3.33Å; N213-D215 PolarHBondContact OD1-N 3.45Å; D215-H217 VanDerWaalsContact C-N 3.33Å; D215-K218 PolarHBondContact O-N 3.2Å; D215-K218 IonicContact OD1-NZ 2.73Å; D215-K218 PolarHBondContact OD1-NZ 3.48Å; D215-A219 WeakPolarHBondContact O-CB 3.3Å; D215-A219 PolarHBondContact O-N 2.8Å
216	I	76.2	Confident	72.1	Confident	87 Å²	87	52.5 Å²	52.5	45%	0.446	29%	0.288	S	S	.	.	H	α-helix	trans	-62.8	-44.3	171.6	-62.8	177	0	0	0	109.9	N213 I214 A219 N220	N213-I216 HydrophobicContact CB-CD1 4Å; N213-I216 HydrophobicContact CB-CG1 4.18Å; N213-I216 PolarHBondContact O-N 3.38Å; I214-I216 VanDerWaalsContact C-N 3.32Å; I214-I216 PolarHBondContact O-N 2.97Å; I216-A219 PolarHBondContact O-N 3.21Å; I216-N220 VanDerWaalsContact O-CG 3.32Å; I216-N220 PolarHBondContact O-N 3.32Å
217	H	73.5	Confident	71.2	Confident	4 Å²	4	56 Å²	56	2%	0.019	31%	0.31	C	S	.	.	H	α-helix	trans	-70	-37.3	179.9	-67.5	-67.5	0	0	0	112.5	T94 M98 I214 D215 N220 M221	T94-H217 HydrophobicContact CG2-CB 3.94Å; M98-H217 HydrophobicContact CE-CB 3.37Å; I214-H217 HydrophobicContact CD1-CB 4.42Å; I214-H217 PolarHBondContact O-N 2.9Å; I214-H217 VanDerWaalsContact O-N 3.16Å; D215-H217 VanDerWaalsContact C-N 3.33Å; H217-N220 PolarHBondContact O-N 3.38Å; H217-M221 WeakPolarHBondContact O-CB 3.42Å; H217-M221 PolarHBondContact O-N 2.88Å
218	K	69.3	Low	70.1	Confident	35 Å²	35	58.3 Å²	58.3	15%	0.152	32%	0.323	C	S	.	.	H	α-helix	trans	-58.5	-50.5	171.2	-70.7	174.2	-166.9	160.7	0	110.8	I214 D215 N220 M221 V222 E239 L242	I214-K218 HydrophobicContact CG1-CG 4.49Å; I214-K218 WeakPolarHBondContact O-CG 3.33Å; I214-K218 PolarHBondContact O-N 3.3Å; D215-K218 PolarHBondContact O-N 3.2Å; D215-K218 IonicContact OD1-NZ 2.73Å; D215-K218 PolarHBondContact OD1-NZ 3.48Å; K218-N220 VanDerWaalsContact C-N 3.33Å; K218-N220 PolarHBondContact O-N 3.17Å; K218-M221 PolarHBondContact O-N 3.28Å; K218-V222 WeakPolarHBondContact O-CG2 3.33Å; K218-V222 PolarHBondContact O-N 3.03Å; K218-E239 HydrophobicContact CD-CG 4.26Å; K218-E239 HydrophobicContact CG-CG 4.42Å; K218-L242 HydrophobicContact CG-CD1 4Å
219	A	72.3	Confident	69.2	Low	58 Å²	58	56.8 Å²	56.8	48%	0.479	31%	0.312	S	S	.	.	H	α-helix	trans	-60.3	-42.7	-179.7	0	0	0	0	0	112	D215 I216 K223	D215-A219 WeakPolarHBondContact O-CB 3.3Å; D215-A219 PolarHBondContact O-N 2.8Å; I216-A219 PolarHBondContact O-N 3.21Å; A219-K223 VanDerWaalsContact O-CB 3.24Å; A219-K223 WeakPolarHBondContact O-CB 3.3Å; A219-K223 PolarHBondContact O-N 3.42Å
220	N	75.8	Confident	68.5	Low	75 Å²	75	63.6 Å²	63.6	40%	0.401	35%	0.347	S	S	.	.	H	α-helix	trans	-65.6	-39.7	176.5	-73.1	-16	0	0	0	112.3	I216 H217 K218 K223 C224	I216-N220 VanDerWaalsContact O-CG 3.32Å; I216-N220 PolarHBondContact O-N 3.32Å; H217-N220 PolarHBondContact O-N 3.38Å; K218-N220 VanDerWaalsContact C-N 3.33Å; K218-N220 PolarHBondContact O-N 3.17Å; N220-K223 PolarHBondContact O-N 2.75Å; N220-C224 VanDerWaalsContact O-CB 3.27Å; N220-C224 WeakPolarHBondContact O-CB 3.45Å; N220-C224 PolarHBondContact O-N 3.15Å
221	M	72.4	Confident	67.9	Low	7 Å²	7	63.6 Å²	63.6	3%	0.034	34%	0.343	C	S	.	.	H	α-helix	trans	-68.1	-46	177.9	-165.6	-178.8	74	0	0	111.1	V91 H217 K218 K223 C224 L225 M238 L242	V91-M221 HydrophobicContact CG2-SD 4.22Å; H217-M221 WeakPolarHBondContact O-CB 3.42Å; H217-M221 PolarHBondContact O-N 2.88Å; K218-M221 PolarHBondContact O-N 3.28Å; M221-K223 VanDerWaalsContact C-N 3.33Å; M221-K223 PolarHBondContact O-N 3.29Å; M221-C224 WeakPolarHBondContact O-CB 3.37Å; M221-C224 PolarHBondContact O-N 3.34Å; M221-L225 HydrophobicContact CE-CD1 4.47Å; M221-L225 HydrophobicContact CG-CD1 4.03Å; M221-L225 WeakPolarHBondContact O-CD1 3.33Å; M221-L225 VanDerWaalsContact O-CG 3.24Å; M221-L225 WeakPolarHBondContact O-CG 3.23Å; M221-L225 PolarHBondContact O-N 3.46Å; M221-M238 HydrophobicContact CE-CB 3.6Å; M221-M238 HydrophobicContact CE-CG 4.5Å; M221-L242 HydrophobicContact CB-CD1 4.3Å; M221-L242 HydrophobicContact CE-CD1 3.15Å; M221-L242 HydrophobicContact CE-CG 3.84Å; M221-L242 HydrophobicContact SD-CD1 3.53Å; M221-L242 VanDerWaalsContact SD-CD1 3.53Å; M221-L242 HydrophobicContact SD-CD2 4.35Å; M221-L242 HydrophobicContact SD-CG 3.94Å
222	V	69.6	Low	67.5	Low	26 Å²	26	65.1 Å²	65.1	16%	0.158	35%	0.348	C	S	.	.	H	α-helix	trans	-57.9	-47.5	174	171.1	0	0	0	0	110.1	K218 C224 L225 S226 Q235	K218-V222 WeakPolarHBondContact O-CG2 3.33Å; K218-V222 PolarHBondContact O-N 3.03Å; V222-C224 VanDerWaalsContact C-N 3.32Å; V222-C224 PolarHBondContact O-N 2.98Å; V222-L225 CarbonylContact O-C 3.41Å; V222-L225 WeakPolarHBondContact O-CA 3.46Å; V222-L225 PolarHBondContact O-N 3.28Å; V222-S226 VanDerWaalsContact C-OG 3.31Å; V222-S226 PolarHBondContact O-N 3.22Å; V222-S226 PolarHBondContact O-OG 3.44Å; V222-Q235 HydrophobicContact CG1-CG 4.36Å
223	K	74.2	Confident	67	Low	156 Å²	156	69.7 Å²	69.7	68%	0.678	37%	0.366	S	S	*	.	H	α-helix	trans	-58.1	-43	176.6	-175.1	178.6	178.4	-178.6	0	112.5	A219 N220 M221 L225 S226	A219-K223 VanDerWaalsContact O-CB 3.24Å; A219-K223 WeakPolarHBondContact O-CB 3.3Å; A219-K223 PolarHBondContact O-N 3.42Å; N220-K223 PolarHBondContact O-N 2.75Å; M221-K223 VanDerWaalsContact C-N 3.33Å; M221-K223 PolarHBondContact O-N 3.29Å; K223-L225 PolarHBondContact O-N 3.2Å; K223-S226 VanDerWaalsContact CA-OG 3.27Å; K223-S226 WeakPolarHBondContact CA-OG 3.37Å; K223-S226 PolarHBondContact O-N 3.41Å
224	C	72.8	Confident	66.1	Low	46 Å²	46	68.8 Å²	68.8	31%	0.311	36%	0.36	S	S	.	.	H	α-helix	trans	-63.7	-29	177.6	-172.2	0	0	0	0	112.3	C90 N220 M221 V222	C90-C224 WeakPolarHBondContact CA-SG 3.45Å; C90-C224 HydrophobicContact CB-CB 3.69Å; C90-C224 WeakPolarHBondContact CB-SG 3.36Å; C90-C224 WeakPolarHBondContact SG-CB 3.44Å; C90-C224 PolarHBondContact SG-O 3.29Å; C90-C224 CovalentContact SG-SG 2.02Å; C90-C224 PolarHBondContact SG-SG 3.45Å; N220-C224 VanDerWaalsContact O-CB 3.27Å; N220-C224 WeakPolarHBondContact O-CB 3.45Å; N220-C224 PolarHBondContact O-N 3.15Å; M221-C224 WeakPolarHBondContact O-CB 3.37Å; M221-C224 PolarHBondContact O-N 3.34Å; V222-C224 VanDerWaalsContact C-N 3.32Å; V222-C224 PolarHBondContact O-N 2.98Å
225	L	66.6	Low	65.6	Low	4 Å²	4	70.3 Å²	70.3	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-94.1	-10.9	178.4	-64.8	165	0	0	0	113.6	Y87 C90 M221 V222 K223 D227 D228 V229 M238	Y87-L225 HydrophobicContact CD2-CD2 4.05Å; C90-L225 HydrophobicContact CB-CD2 4.2Å; C90-L225 HydrophobicContact CB-CG 4.29Å; M221-L225 HydrophobicContact CE-CD1 4.47Å; M221-L225 HydrophobicContact CG-CD1 4.03Å; M221-L225 WeakPolarHBondContact O-CD1 3.33Å; M221-L225 VanDerWaalsContact O-CG 3.24Å; M221-L225 WeakPolarHBondContact O-CG 3.23Å; M221-L225 PolarHBondContact O-N 3.46Å; V222-L225 CarbonylContact O-C 3.41Å; V222-L225 WeakPolarHBondContact O-CA 3.46Å; V222-L225 PolarHBondContact O-N 3.28Å; K223-L225 PolarHBondContact O-N 3.2Å; L225-D227 PolarHBondContact O-N 2.91Å; L225-D228 CarbonylContact O-C 3.58Å; L225-D228 WeakPolarHBondContact O-CA 3.42Å; L225-D228 PolarHBondContact O-N 3.25Å; L225-V229 HydrophobicContact CB-CB 4.29Å; L225-V229 HydrophobicContact CB-CG2 3.97Å; L225-V229 HydrophobicContact CD2-CG2 4.35Å; L225-V229 PolarHBondContact O-N 3.47Å; L225-M238 HydrophobicContact CD1-CE 3.37Å; L225-M238 HydrophobicContact CD1-SD 3.47Å; L225-M238 WeakPolarHBondContact CD1-SD 3.49Å; L225-M238 HydrophobicContact CD2-CE 4.05Å; L225-M238 HydrophobicContact CG-CE 4.33Å
226	S	64.9	Low	65.2	Low	59 Å²	59	70.3 Å²	70.3	41%	0.413	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.9	-166.9	-63.3	0	0	0	0	113.4	V222 K223 D228	V222-S226 VanDerWaalsContact C-OG 3.31Å; V222-S226 PolarHBondContact O-N 3.22Å; V222-S226 PolarHBondContact O-OG 3.44Å; K223-S226 VanDerWaalsContact CA-OG 3.27Å; K223-S226 WeakPolarHBondContact CA-OG 3.37Å; K223-S226 PolarHBondContact O-N 3.41Å; S226-D228 PolarHBondContact O-N 3.46Å
227	D	60.9	Low	64.2	Low	156 Å²	156	67.9 Å²	67.9	83%	0.834	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-16.5	175.2	-65	-24.8	0	0	0	112	L225	L225-D227 PolarHBondContact O-N 2.91Å
228	D	54.9	Low	63.6	Low	50 Å²	50	68.8 Å²	68.8	27%	0.267	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-27.3	-174	-71.4	-41.7	0	0	0	113.7	M83 T86 L225 S226	M83-D228 WeakPolarHBondContact CE-O 3.42Å; M83-D228 HydrophobicContact CG-CB 3.9Å; T86-D228 WeakPolarHBondContact CB-OD2 3.25Å; T86-D228 WeakPolarHBondContact CG2-OD2 3.44Å; T86-D228 PolarHBondContact OG1-OD2 3.08Å; L225-D228 CarbonylContact O-C 3.58Å; L225-D228 WeakPolarHBondContact O-CA 3.42Å; L225-D228 PolarHBondContact O-N 3.25Å; S226-D228 PolarHBondContact O-N 3.46Å
229	V	53.2	Low	63.3	Low	4 Å²	4	70.8 Å²	70.8	2%	0.024	37%	0.369	C	S	.	.			trans	-116.8	93.1	-169.3	178.8	0	0	0	0	111.3	M83 L225 E234 Q235	M83-V229 HydrophobicContact CE-CG2 4.19Å; L225-V229 HydrophobicContact CB-CB 4.29Å; L225-V229 HydrophobicContact CB-CG2 3.97Å; L225-V229 HydrophobicContact CD2-CG2 4.35Å; L225-V229 PolarHBondContact O-N 3.47Å; V229-E234 HydrophobicContact CG1-CB 3.5Å; V229-E234 VanDerWaalsContact CG1-CB 3.5Å; V229-E234 HydrophobicContact CG1-CG 4.41Å; V229-E234 VanDerWaalsContact CG1-OE2 3.26Å; V229-E234 WeakPolarHBondContact CG1-OE2 3.34Å; V229-Q235 HydrophobicContact CG1-CG 4.13Å; V229-Q235 PolarHBondContact O-NE2 2.83Å
230	D	55.6	Low	62.7	Low	164 Å²	164	74.7 Å²	74.7	88%	0.877	37%	0.371	S	S	*	.			trans	-87.8	-1.9	-178.3	-141.7	2.7	0	0	0	113.3
231	E	59.4	Low	61.7	Low	110 Å²	110	74.2 Å²	74.2	51%	0.514	37%	0.368	S	S	.	.			trans	-95.7	114	178	-70.1	-164.1	-177	0	0	112.1	K233 E234 Q235	E231-K233 HydrophobicContact CB-CB 4.46Å; E231-K233 PolarHBondContact O-N 3.02Å; E231-E234 HydrophobicContact CB-CB 4.35Å; E231-E234 HydrophobicContact CB-CG 4.05Å; E231-E234 PolarHBondContact O-N 3.12Å; E231-Q235 PolarHBondContact O-N 2.78Å
232	E	62.8	Low	61.2	Low	122 Å²	122	74.9 Å²	74.9	57%	0.57	37%	0.372	S	S	*	.	H	α-helix	trans	-46.6	-30.3	166.8	-171.7	-169.9	164.4	0	0	111.9	K236	E232-K236 HydrophobicContact CG-CD 4.48Å; E232-K236 WeakPolarHBondContact O-CB 3.45Å; E232-K236 WeakPolarHBondContact O-CG 2.87Å; E232-K236 PolarHBondContact O-N 3.23Å; E232-K236 WeakPolarHBondContact OE1-CE 3.05Å; E232-K236 IonicContact OE1-NZ 2.66Å; E232-K236 PolarHBondContact OE1-NZ 2.95Å
233	K	57.5	Low	60.7	Low	107 Å²	107	78.5 Å²	78.5	47%	0.465	39%	0.387	S	S	.	.	H	α-helix	trans	-66.7	-43.4	178	-169.9	-176.3	176.1	-167.4	0	112.6	E231 A237	E231-K233 HydrophobicContact CB-CB 4.46Å; E231-K233 PolarHBondContact O-N 3.02Å; K233-A237 WeakPolarHBondContact O-CB 3.26Å; K233-A237 PolarHBondContact O-N 3.23Å
234	E	53.9	Low	59.8	Low	63 Å²	63	77.5 Å²	77.5	29%	0.294	38%	0.382	S	S	.	.	H	α-helix	trans	-70.1	-43.3	179.2	-69.4	-171	164.1	0	0	110.5	V229 E231 K236 A237 M238	V229-E234 HydrophobicContact CG1-CB 3.5Å; V229-E234 VanDerWaalsContact CG1-CB 3.5Å; V229-E234 HydrophobicContact CG1-CG 4.41Å; V229-E234 VanDerWaalsContact CG1-OE2 3.26Å; V229-E234 WeakPolarHBondContact CG1-OE2 3.34Å; E231-E234 HydrophobicContact CB-CB 4.35Å; E231-E234 HydrophobicContact CB-CG 4.05Å; E231-E234 PolarHBondContact O-N 3.12Å; E234-K236 PolarHBondContact O-N 3.24Å; E234-A237 WeakPolarHBondContact O-CB 3.4Å; E234-A237 PolarHBondContact O-N 3.3Å; E234-A237 VanDerWaalsContact O-N 3.09Å; E234-M238 VanDerWaalsContact O-CG 3.25Å; E234-M238 WeakPolarHBondContact O-CG 3.01Å; E234-M238 PolarHBondContact O-N 2.93Å
235	Q	59.7	Low	58.9	Low	50 Å²	50	79.7 Å²	79.7	23%	0.234	39%	0.394	C	S	.	.	H	α-helix	trans	-55.6	-49.8	173.1	-64.3	-179	-1.7	0	0	111.3	V222 V229 E231 A237 M238 E239	V222-Q235 HydrophobicContact CG1-CG 4.36Å; V229-Q235 HydrophobicContact CG1-CG 4.13Å; V229-Q235 PolarHBondContact O-NE2 2.83Å; E231-Q235 PolarHBondContact O-N 2.78Å; Q235-A237 VanDerWaalsContact C-N 3.33Å; Q235-A237 PolarHBondContact O-N 3.23Å; Q235-M238 PolarHBondContact O-N 2.91Å; Q235-E239 WeakPolarHBondContact O-CG 3.43Å; Q235-E239 PolarHBondContact O-N 2.03Å
236	K	62.9	Low	58.2	Low	93 Å²	93	81.1 Å²	81.1	40%	0.404	40%	0.401	S	S	.	.	H	α-helix	trans	-62.8	-35.5	175.9	-76.8	179.2	-175.9	169.5	0	113.2	E232 E234 M238 R240	E232-K236 HydrophobicContact CG-CD 4.48Å; E232-K236 WeakPolarHBondContact O-CB 3.45Å; E232-K236 WeakPolarHBondContact O-CG 2.87Å; E232-K236 PolarHBondContact O-N 3.23Å; E232-K236 WeakPolarHBondContact OE1-CE 3.05Å; E232-K236 IonicContact OE1-NZ 2.66Å; E232-K236 PolarHBondContact OE1-NZ 2.95Å; E234-K236 PolarHBondContact O-N 3.24Å; K236-M238 VanDerWaalsContact C-N 3.34Å; K236-R240 WeakPolarHBondContact O-CG 3.35Å; K236-R240 PolarHBondContact O-N 2.88Å
237	A	57	Low	57.8	Low	36 Å²	36	80.7 Å²	80.7	30%	0.298	39%	0.394	S	S	.	.	H	α-helix	trans	-65.2	-41.7	176.2	0	0	0	0	0	111.1	K233 E234 Q235 R240 I241	K233-A237 WeakPolarHBondContact O-CB 3.26Å; K233-A237 PolarHBondContact O-N 3.23Å; E234-A237 WeakPolarHBondContact O-CB 3.4Å; E234-A237 PolarHBondContact O-N 3.3Å; E234-A237 VanDerWaalsContact O-N 3.09Å; Q235-A237 VanDerWaalsContact C-N 3.33Å; Q235-A237 PolarHBondContact O-N 3.23Å; A237-R240 WeakPolarHBondContact O-CB 3.43Å; A237-R240 PolarHBondContact O-N 3.41Å; A237-I241 WeakPolarHBondContact O-CG1 3.06Å; A237-I241 PolarHBondContact O-N 2.04Å; A237-I241 VanDerWaalsContact O-N 3.08Å
238	M	60	Low	57.6	Low	24 Å²	24	74.2 Å²	74.2	12%	0.118	36%	0.361	C	S	.	.	H	α-helix	trans	-70	-40.6	179.1	-68.4	160.3	138.7	0	0	112.6	Y87 M221 L225 E234 Q235 K236 R240 I241 L242	Y87-M238 HydrophobicContact CD2-CE 3.27Å; Y87-M238 HydrophobicContact CE2-CE 3.25Å; M221-M238 HydrophobicContact CE-CB 3.6Å; M221-M238 HydrophobicContact CE-CG 4.5Å; L225-M238 HydrophobicContact CD1-CE 3.37Å; L225-M238 HydrophobicContact CD1-SD 3.47Å; L225-M238 WeakPolarHBondContact CD1-SD 3.49Å; L225-M238 HydrophobicContact CD2-CE 4.05Å; L225-M238 HydrophobicContact CG-CE 4.33Å; E234-M238 VanDerWaalsContact O-CG 3.25Å; E234-M238 WeakPolarHBondContact O-CG 3.01Å; E234-M238 PolarHBondContact O-N 2.93Å; Q235-M238 PolarHBondContact O-N 2.91Å; K236-M238 VanDerWaalsContact C-N 3.34Å; M238-R240 VanDerWaalsContact C-N 3.25Å; M238-R240 PolarHBondContact O-N 3.27Å; M238-I241 PolarHBondContact O-N 3.01Å; M238-I241 VanDerWaalsContact O-N 3.09Å; M238-L242 PolarHBondContact O-N 2.94Å
239	E	62.3	Low	57	Low	76 Å²	76	79.1 Å²	79.1	36%	0.355	39%	0.387	S	S	.	.	H	α-helix	trans	-56.4	-41.4	171.1	-74.7	-178.4	163.7	0	0	111.8	K218 Q235 H243	K218-E239 HydrophobicContact CD-CG 4.26Å; K218-E239 HydrophobicContact CG-CG 4.42Å; Q235-E239 WeakPolarHBondContact O-CG 3.43Å; Q235-E239 PolarHBondContact O-N 2.03Å; E239-H243 WeakPolarHBondContact O-CB 3.49Å; E239-H243 PolarHBondContact O-N 2.81Å
240	R	60.5	Low	56.4	Low	140 Å²	140	86 Å²	86	53%	0.528	42%	0.417	S	S	.	.	H	α-helix	trans	-65.8	-36.9	175.7	-73.5	-173.9	-64.3	-101.2	3.6	112.4	K236 A237 M238 K244	K236-R240 WeakPolarHBondContact O-CG 3.35Å; K236-R240 PolarHBondContact O-N 2.88Å; A237-R240 WeakPolarHBondContact O-CB 3.43Å; A237-R240 PolarHBondContact O-N 3.41Å; M238-R240 VanDerWaalsContact C-N 3.25Å; M238-R240 PolarHBondContact O-N 3.27Å; R240-K244 WeakPolarHBondContact O-CB 3.46Å; R240-K244 WeakPolarHBondContact O-CG 3.47Å; R240-K244 PolarHBondContact O-N 2.72Å
241	I	55.5	Low	55.3	Low	66 Å²	66	82.5 Å²	82.5	34%	0.338	40%	0.401	S	S	.	.	H	α-helix	trans	-66	-50.8	176.5	-67.9	166.4	0	0	0	109.8	A237 M238 H243 K244 V245	A237-I241 WeakPolarHBondContact O-CG1 3.06Å; A237-I241 PolarHBondContact O-N 2.04Å; A237-I241 VanDerWaalsContact O-N 3.08Å; M238-I241 PolarHBondContact O-N 3.01Å; M238-I241 VanDerWaalsContact O-N 3.09Å; I241-H243 VanDerWaalsContact C-N 3.31Å; I241-H243 PolarHBondContact O-N 3.2Å; I241-K244 PolarHBondContact O-N 2.95Å; I241-K244 VanDerWaalsContact O-N 3.17Å; I241-V245 HydrophobicContact CG2-CG2 4.47Å; I241-V245 WeakPolarHBondContact O-CG2 3.45Å; I241-V245 PolarHBondContact O-N 3.16Å
242	L	60.6	Low	55.1	Low	21 Å²	21	81.2 Å²	81.2	11%	0.11	40%	0.395	C	S	.	.	H	α-helix	trans	-54.1	-47.3	174.9	-89.6	168.3	0	0	0	111.6	T94 M98 K218 M221 M238 K244 V245 H246	T94-L242 HydrophobicContact CG2-CD2 4.18Å; M98-L242 HydrophobicContact CE-CD2 3.81Å; K218-L242 HydrophobicContact CG-CD1 4Å; M221-L242 HydrophobicContact CB-CD1 4.3Å; M221-L242 HydrophobicContact CE-CD1 3.15Å; M221-L242 HydrophobicContact CE-CG 3.84Å; M221-L242 HydrophobicContact SD-CD1 3.53Å; M221-L242 VanDerWaalsContact SD-CD1 3.53Å; M221-L242 HydrophobicContact SD-CD2 4.35Å; M221-L242 HydrophobicContact SD-CG 3.94Å; M238-L242 PolarHBondContact O-N 2.94Å; L242-K244 PolarHBondContact O-N 3.39Å; L242-V245 PolarHBondContact O-N 3.35Å; L242-H246 WeakPolarHBondContact O-CB 3.35Å; L242-H246 PolarHBondContact O-N 3.48Å
243	H	60.1	Low	54.7	Low	102 Å²	102	79 Å²	79	47%	0.472	39%	0.386	S	S	.	.	H	α-helix	trans	-63	-41.8	179.4	-166.8	71.9	0	0	0	111.9	E239 I241 V245 H246 D247	E239-H243 WeakPolarHBondContact O-CB 3.49Å; E239-H243 PolarHBondContact O-N 2.81Å; I241-H243 VanDerWaalsContact C-N 3.31Å; I241-H243 PolarHBondContact O-N 3.2Å; H243-V245 VanDerWaalsContact C-N 3.31Å; H243-V245 PolarHBondContact O-N 3.2Å; H243-H246 CarbonylContact O-C 3.58Å; H243-H246 PolarHBondContact O-N 2.95Å; H243-D247 WeakPolarHBondContact O-CB 3.4Å; H243-D247 PolarHBondContact O-N 2.78Å
244	K	55.2	Low	54.5	Low	134 Å²	134	77.4 Å²	77.4	58%	0.583	38%	0.382	S	S	*	.	H	α-helix	trans	-65.4	-31.4	175.4	-78.6	178.5	179.7	178.6	0	113.4	R240 I241 L242	R240-K244 WeakPolarHBondContact O-CB 3.46Å; R240-K244 WeakPolarHBondContact O-CG 3.47Å; R240-K244 PolarHBondContact O-N 2.72Å; I241-K244 PolarHBondContact O-N 2.95Å; I241-K244 VanDerWaalsContact O-N 3.17Å; L242-K244 PolarHBondContact O-N 3.39Å
245	V	52.6	Low	54.6	Low	93 Å²	93	78.3 Å²	78.3	56%	0.564	39%	0.387	S	S	*	.	H	α-helix	trans	-74.5	-36.2	176	173.1	0	0	0	0	110.8	I241 L242 H243	I241-V245 HydrophobicContact CG2-CG2 4.47Å; I241-V245 WeakPolarHBondContact O-CG2 3.45Å; I241-V245 PolarHBondContact O-N 3.16Å; L242-V245 PolarHBondContact O-N 3.35Å; H243-V245 VanDerWaalsContact C-N 3.31Å; H243-V245 PolarHBondContact O-N 3.2Å
246	H	53.7	Low	54.3	Low	33 Å²	33	80.1 Å²	80.1	15%	0.153	40%	0.396	C	S	.	.	H	α-helix	trans	-88.1	-10.8	-179.7	-165	-84.4	0	0	0	114.3	S208 V212 I214 L242 H243 C248	S208-H246 PolarHBondContact O-NE2 3.24Å; V212-H246 WeakPolarHBondContact CB-NE2 3.2Å; V212-H246 WeakPolarHBondContact CG1-NE2 3.13Å; I214-H246 HydrophobicContact CD1-CB 3.88Å; I214-H246 HydrophobicContact CG1-CB 4.22Å; L242-H246 WeakPolarHBondContact O-CB 3.35Å; L242-H246 PolarHBondContact O-N 3.48Å; H243-H246 CarbonylContact O-C 3.58Å; H243-H246 PolarHBondContact O-N 2.95Å; H246-C248 PolarHBondContact O-N 3.37Å; H246-C248 PolarHBondContact O-SG 3.31Å
247	D	56.3	Low	53.7	Low	51 Å²	51	79.2 Å²	79.2	27%	0.273	40%	0.396	S	S	.	.			trans	-61.6	96.9	179.4	-177.9	8.9	0	0	0	110.6	H243 D249	H243-D247 WeakPolarHBondContact O-CB 3.4Å; H243-D247 PolarHBondContact O-N 2.78Å; D247-D249 PolarHBondContact OD1-N 3.34Å
248	C	56.8	Low	53.4	Low	20 Å²	20	82.3 Å²	82.3	14%	0.135	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-86.6	-4.5	-175.3	-70.3	0	0	0	0	113.7	C209 H246 K250 V251	C209-C248 HydrophobicContact CB-CB 3.51Å; C209-C248 WeakPolarHBondContact CB-SG 3.48Å; C209-C248 WeakPolarHBondContact SG-CB 3.09Å; C209-C248 CovalentContact SG-SG 2.03Å; C209-C248 PolarHBondContact SG-SG 2.95Å; H246-C248 PolarHBondContact O-N 3.37Å; H246-C248 PolarHBondContact O-SG 3.31Å; C248-K250 PolarHBondContact O-N 2.72Å; C248-V251 PolarHBondContact O-N 3.18Å
249	D	41.8	Very low	52.9	Low	152 Å²	152	86.8 Å²	86.8	81%	0.813	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-64.8	-6.3	-179.8	-79.5	-19.8	0	0	0	112.9	D247	D247-D249 PolarHBondContact OD1-N 3.34Å
250	K	40	Very low	52.2	Low	150 Å²	150	87.7 Å²	87.7	65%	0.652	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-108.9	11	-179.5	-60.2	-172	-177	173.1	0	115.2	C248	C248-K250 PolarHBondContact O-N 2.72Å
251	V	32.9	Very low	51.4	Low	90 Å²	90	82.9 Å²	82.9	55%	0.545	42%	0.422	S	S	.	.			trans	-100.8	0	176.1	-176.4	0	0	0	0	112.5	L4 C248	L4-V251 HydrophobicContact CD2-CG2 4.26Å; C248-V251 PolarHBondContact O-N 3.18Å

Retrieved 251 of 251 residues in 695.3 ms (Link to these results)

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