G4VAI7_SCHMA Loading...

Smp_200110

AlphaFold DB , UniProt , Accession G4VAI7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 107 aa.

						>G4VAI7_SCHMA|G4VAI7
MLKKFITNYSNVRLSFLITCCIFSINSVNINAYKSDNLLQNHWLNNIQDDDLRQAMEEENITEEQLRDPHQFDRLLKRLIFLSPKHLRRFMKVLREWNNLSQRIRYG
					

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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	42.1	Very low	39.4	Very low	197 Å²	197	134.8 Å²	134.8	97%	0.97	67%	0.668	S	S	*	*				0	-49.7	0	-147.3	178.5	-84.4	0	0	112	K3 K4 F5	M1-K3 PolarHBondContact O-N 2.89Å; M1-K4 PolarHBondContact O-N 3.42Å; M1-K4 VanDerWaalsContact O-N 3.14Å; M1-F5 PolarHBondContact O-N 3.25Å
2	L	33.1	Very low	40.9	Very low	141 Å²	141	127.1 Å²	127.1	74%	0.738	63%	0.633	S	S	*	*	H	α-helix	trans	-51.5	-44.5	174	-92.5	141.4	0	0	0	115	K4 F5 I6	L2-K4 VanDerWaalsContact C-N 3.34Å; L2-K4 PolarHBondContact O-N 3.44Å; L2-F5 WeakPolarHBondContact O-CB 3.4Å; L2-F5 PolarHBondContact O-N 3.33Å; L2-F5 VanDerWaalsContact O-N 3.16Å; L2-I6 WeakPolarHBondContact O-CG1 3.48Å; L2-I6 PolarHBondContact O-N 3.45Å
3	K	32.2	Very low	42.9	Very low	178 Å²	178	122.3 Å²	122.3	77%	0.774	60%	0.603	S	S	*	*	H	α-helix	trans	-57.1	-45.8	176.7	-83	-174.2	175.1	-179.1	0	112.2	M1 F5 I6 T7	M1-K3 PolarHBondContact O-N 2.89Å; K3-F5 VanDerWaalsContact C-N 3.29Å; K3-F5 PolarHBondContact O-N 3.12Å; K3-I6 PolarHBondContact O-N 3.46Å; K3-I6 VanDerWaalsContact O-N 3.15Å; K3-T7 PolarHBondContact O-N 2.8Å; K3-T7 PolarHBondContact O-OG1 3.48Å
4	K	35.2	Very low	44.8	Very low	167 Å²	167	116.9 Å²	116.9	73%	0.726	58%	0.578	S	S	*	*	H	α-helix	trans	-62.8	-35.3	178.6	-129.5	-179.9	-175.8	-177.7	0	112.2	M1 L2 N8	M1-K4 PolarHBondContact O-N 3.42Å; M1-K4 VanDerWaalsContact O-N 3.14Å; L2-K4 VanDerWaalsContact C-N 3.34Å; L2-K4 PolarHBondContact O-N 3.44Å; K4-N8 PolarHBondContact O-N 2.99Å
5	F	32.6	Very low	46.3	Very low	125 Å²	125	109.1 Å²	109.1	55%	0.548	54%	0.539	S	S	.	.	H	α-helix	trans	-64.8	-51.2	171.5	-97.4	-92.2	0	0	0	110.9	M1 L2 K3 T7 N8 Y9	M1-F5 PolarHBondContact O-N 3.25Å; L2-F5 WeakPolarHBondContact O-CB 3.4Å; L2-F5 PolarHBondContact O-N 3.33Å; L2-F5 VanDerWaalsContact O-N 3.16Å; K3-F5 VanDerWaalsContact C-N 3.29Å; K3-F5 PolarHBondContact O-N 3.12Å; F5-T7 VanDerWaalsContact C-N 3.33Å; F5-T7 PolarHBondContact O-N 2.65Å; F5-N8 PolarHBondContact O-N 3.37Å; F5-Y9 HydrophobicContact CD1-CD2 4.17Å; F5-Y9 AromaticContact CD1-CE2 3.71Å; F5-Y9 HydrophobicContact CD1-CE2 3.71Å; F5-Y9 HydrophobicContact CE1-CE2 4.14Å; F5-Y9 VanDerWaalsContact O-CD2 3.27Å; F5-Y9 WeakPolarHBondContact O-CD2 3.25Å; F5-Y9 PolarHBondContact O-N 2.88Å
6	I	35	Very low	47.6	Very low	113 Å²	113	107.7 Å²	107.7	58%	0.579	53%	0.529	S	S	*	.	H	α-helix	trans	-61.6	-39.9	-179.2	-62.3	165.9	0	0	0	111.6	L2 K3 Y9 S10	L2-I6 WeakPolarHBondContact O-CG1 3.48Å; L2-I6 PolarHBondContact O-N 3.45Å; K3-I6 PolarHBondContact O-N 3.46Å; K3-I6 VanDerWaalsContact O-N 3.15Å; I6-Y9 PolarHBondContact O-N 3.14Å; I6-S10 PolarHBondContact O-N 3.34Å
7	T	39.4	Very low	48.7	Very low	86 Å²	86	105.1 Å²	105.1	53%	0.528	52%	0.517	S	S	.	.	H	α-helix	trans	-71.2	-33.4	-179.9	-24.3	0	0	0	0	113	K3 F5 S10	K3-T7 PolarHBondContact O-N 2.8Å; K3-T7 PolarHBondContact O-OG1 3.48Å; F5-T7 VanDerWaalsContact C-N 3.33Å; F5-T7 PolarHBondContact O-N 2.65Å; T7-S10 PolarHBondContact O-OG 2.95Å
8	N	40.5	Very low	49.8	Very low	117 Å²	117	100.1 Å²	100.1	63%	0.626	49%	0.493	S	S	*	.	H	α-helix	trans	-72.7	-40.1	174.7	-89.1	-0.9	0	0	0	111.1	K4 F5 N11 V12	K4-N8 PolarHBondContact O-N 2.99Å; F5-N8 PolarHBondContact O-N 3.37Å; N8-N11 PolarHBondContact O-N 2.86Å; N8-V12 WeakPolarHBondContact O-CG2 3.5Å
9	Y	38	Very low	50.7	Low	141 Å²	141	94.8 Å²	94.8	55%	0.553	47%	0.467	S	S	*	.	H	α-helix	trans	-71.8	-26.7	178.3	-83.5	-80.3	0	0	0	113.6	F5 I6 N11 V12	F5-Y9 HydrophobicContact CD1-CD2 4.17Å; F5-Y9 AromaticContact CD1-CE2 3.71Å; F5-Y9 HydrophobicContact CD1-CE2 3.71Å; F5-Y9 HydrophobicContact CE1-CE2 4.14Å; F5-Y9 VanDerWaalsContact O-CD2 3.27Å; F5-Y9 WeakPolarHBondContact O-CD2 3.25Å; F5-Y9 PolarHBondContact O-N 2.88Å; I6-Y9 PolarHBondContact O-N 3.14Å; Y9-N11 PolarHBondContact O-N 2.93Å; Y9-V12 HydrophobicContact CD1-CB 4.48Å; Y9-V12 HydrophobicContact CD1-CG2 4.23Å; Y9-V12 PolarHBondContact O-N 3.2Å
10	S	49.6	Very low	51.3	Low	83 Å²	83	91.7 Å²	91.7	58%	0.58	46%	0.455	S	S	*	.	H	α-helix	trans	-60.8	-26.5	175.1	65	0	0	0	0	112.7	I6 T7	I6-S10 PolarHBondContact O-N 3.34Å; T7-S10 PolarHBondContact O-OG 2.95Å
11	N	55.1	Low	52	Low	135 Å²	135	90.6 Å²	90.6	72%	0.722	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-8.2	175.9	-72.7	-10	0	0	0	113.5	N8 Y9 R13	N8-N11 PolarHBondContact O-N 2.86Å; Y9-N11 PolarHBondContact O-N 2.93Å; N11-R13 PolarHBondContact O-N 2.86Å
12	V	57.8	Low	53	Low	42 Å²	42	82.1 Å²	82.1	26%	0.255	41%	0.414	S	S	.	.	S	Bend	trans	-82.8	111	178.3	-172.1	0	0	0	0	108.5	N8 Y9 L14 F16 L17	N8-V12 WeakPolarHBondContact O-CG2 3.5Å; Y9-V12 HydrophobicContact CD1-CB 4.48Å; Y9-V12 HydrophobicContact CD1-CG2 4.23Å; Y9-V12 PolarHBondContact O-N 3.2Å; V12-L14 PolarHBondContact O-N 3.41Å; V12-F16 HydrophobicContact CG1-CD1 4.43Å; V12-L17 HydrophobicContact CB-CD1 4.25Å; V12-L17 HydrophobicContact CG1-CD1 3.6Å; V12-L17 HydrophobicContact CG1-CD2 3.75Å; V12-L17 HydrophobicContact CG1-CG 3.39Å
13	R	67.2	Low	54.3	Low	65 Å²	65	75.7 Å²	75.7	25%	0.245	38%	0.38	C	S	.	.			trans	-59.6	126	174.4	-62.7	179.6	-179.6	-171.8	-5.3	108.8	N11 S15 F16 L17 D36 P69 D73	N11-R13 PolarHBondContact O-N 2.86Å; R13-S15 PolarHBondContact O-N 2.88Å; R13-F16 HydrophobicContact CB-CB 3.96Å; R13-F16 WeakPolarHBondContact O-CB 3.39Å; R13-F16 PolarHBondContact O-N 3.18Å; R13-F16 VanDerWaalsContact O-N 3.13Å; R13-L17 PolarHBondContact O-N 3.13Å; R13-D36 IonicContact NH1-OD2 3.7Å; R13-P69 PolarHBondContact NH1-O 3.16Å; R13-P69 PolarHBondContact NH2-O 3.24Å; R13-P69 VanDerWaalsContact NH2-O 3.13Å; R13-D73 HydrophobicContact CB-CB 4.15Å; R13-D73 HydrophobicContact CG-CB 4.19Å
14	L	68.7	Low	55.8	Low	46 Å²	46	71 Å²	71	24%	0.241	37%	0.369	C	S	.	.	H	α-helix	trans	-56.4	-40.9	173.3	171	69.3	0	0	0	110.9	V12 F16 L17 I18 D73 K77	V12-L14 PolarHBondContact O-N 3.41Å; L14-F16 VanDerWaalsContact C-N 3.28Å; L14-F16 PolarHBondContact O-N 3.26Å; L14-L17 CarbonylContact O-C 3.42Å; L14-L17 WeakPolarHBondContact O-CB 3.4Å; L14-L17 PolarHBondContact O-N 3.16Å; L14-L17 VanDerWaalsContact O-N 3.1Å; L14-I18 HydrophobicContact CD1-CD1 4.06Å; L14-I18 HydrophobicContact CD1-CG1 4.17Å; L14-I18 HydrophobicContact CD2-CD1 4.33Å; L14-I18 HydrophobicContact CG-CD1 3.64Å; L14-I18 HydrophobicContact CG-CG1 4.26Å; L14-I18 WeakPolarHBondContact O-CB 3.49Å; L14-I18 VanDerWaalsContact O-CD1 3.26Å; L14-I18 WeakPolarHBondContact O-CD1 3.49Å; L14-I18 WeakPolarHBondContact O-CG1 3.28Å; L14-I18 PolarHBondContact O-N 3.33Å; L14-D73 VanDerWaalsContact CA-OD1 3.28Å; L14-D73 WeakPolarHBondContact CA-OD1 3.47Å; L14-D73 VanDerWaalsContact CB-OD1 3.23Å; L14-D73 WeakPolarHBondContact CB-OD1 3.43Å; L14-D73 PolarHBondContact N-OD1 3.23Å; L14-D73 PolarHBondContact N-OD2 3.45Å; L14-D73 VanDerWaalsContact N-OD2 3.15Å; L14-K77 HydrophobicContact CB-CD 4.46Å; L14-K77 HydrophobicContact CB-CG 4.45Å; L14-K77 HydrophobicContact CD2-CD 4.31Å; L14-K77 HydrophobicContact CD2-CG 3.53Å
15	S	68.2	Low	56.9	Low	0 Å²	0	69.3 Å²	69.3	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-57.8	-38.9	174.9	60.7	0	0	0	0	113.2	R13 T19 D36 D73	R13-S15 PolarHBondContact O-N 2.88Å; S15-T19 WeakPolarHBondContact O-CB 3.48Å; S15-T19 PolarHBondContact O-N 3.17Å; S15-T19 PolarHBondContact O-OG1 3.34Å; S15-D36 WeakPolarHBondContact CB-OD1 3.15Å; S15-D36 PolarHBondContact OG-OD1 3.29Å; S15-D36 PolarHBondContact OG-OD2 3.2Å; S15-D73 PolarHBondContact N-OD1 3.02Å
16	F	66.4	Low	58.1	Low	87 Å²	87	63.9 Å²	63.9	38%	0.382	34%	0.344	S	S	.	.	H	α-helix	trans	-66.9	-44.9	171.6	-178.3	-90.6	0	0	0	111.9	V12 R13 L14 I18 T19 C20 A32	V12-F16 HydrophobicContact CG1-CD1 4.43Å; R13-F16 HydrophobicContact CB-CB 3.96Å; R13-F16 WeakPolarHBondContact O-CB 3.39Å; R13-F16 PolarHBondContact O-N 3.18Å; R13-F16 VanDerWaalsContact O-N 3.13Å; L14-F16 VanDerWaalsContact C-N 3.28Å; L14-F16 PolarHBondContact O-N 3.26Å; F16-I18 PolarHBondContact O-N 3.38Å; F16-T19 WeakPolarHBondContact O-CB 3.21Å; F16-T19 PolarHBondContact O-N 2.65Å; F16-C20 WeakPolarHBondContact CE1-SG 3.45Å; F16-C20 WeakPolarHBondContact O-CB 3.34Å; F16-C20 PolarHBondContact O-N 3.24Å; F16-C20 PolarHBondContact O-SG 3.01Å; F16-C20 VanDerWaalsContact O-SG 3.4Å; F16-A32 HydrophobicContact CD2-CB 3.7Å; F16-A32 HydrophobicContact CE2-CB 3.3Å; F16-A32 HydrophobicContact CZ-CB 4.03Å
17	L	66.9	Low	59.5	Low	63 Å²	63	63.5 Å²	63.5	33%	0.33	35%	0.351	S	S	.	.	H	α-helix	trans	-60.4	-44.9	175.7	-77.7	166.3	0	0	0	112	V12 R13 L14 T19 C20 C21	V12-L17 HydrophobicContact CB-CD1 4.25Å; V12-L17 HydrophobicContact CG1-CD1 3.6Å; V12-L17 HydrophobicContact CG1-CD2 3.75Å; V12-L17 HydrophobicContact CG1-CG 3.39Å; R13-L17 PolarHBondContact O-N 3.13Å; L14-L17 CarbonylContact O-C 3.42Å; L14-L17 WeakPolarHBondContact O-CB 3.4Å; L14-L17 PolarHBondContact O-N 3.16Å; L14-L17 VanDerWaalsContact O-N 3.1Å; L17-T19 VanDerWaalsContact C-N 3.31Å; L17-T19 PolarHBondContact O-N 3.29Å; L17-C20 PolarHBondContact O-N 2.83Å; L17-C21 VanDerWaalsContact O-CB 3.25Å; L17-C21 WeakPolarHBondContact O-CB 3.35Å; L17-C21 PolarHBondContact O-N 2.92Å; L17-C21 PolarHBondContact O-SG 2.98Å
18	I	68.9	Low	60.5	Low	15 Å²	15	60.6 Å²	60.6	8%	0.077	33%	0.333	C	S	.	.	H	α-helix	trans	-55.7	-50.7	175.9	-74.1	155.1	0	0	0	110.1	L14 F16 C21 I22 L39 F90 L94	L14-I18 HydrophobicContact CD1-CD1 4.06Å; L14-I18 HydrophobicContact CD1-CG1 4.17Å; L14-I18 HydrophobicContact CD2-CD1 4.33Å; L14-I18 HydrophobicContact CG-CD1 3.64Å; L14-I18 HydrophobicContact CG-CG1 4.26Å; L14-I18 WeakPolarHBondContact O-CB 3.49Å; L14-I18 VanDerWaalsContact O-CD1 3.26Å; L14-I18 WeakPolarHBondContact O-CD1 3.49Å; L14-I18 WeakPolarHBondContact O-CG1 3.28Å; L14-I18 PolarHBondContact O-N 3.33Å; F16-I18 PolarHBondContact O-N 3.38Å; I18-C21 PolarHBondContact O-N 2.98Å; I18-I22 HydrophobicContact CG2-CD1 3.94Å; I18-I22 WeakPolarHBondContact O-CG1 3.33Å; I18-I22 PolarHBondContact O-N 3.16Å; I18-L39 HydrophobicContact CG2-CD2 4.44Å; I18-F90 HydrophobicContact CD1-CE1 4.41Å; I18-F90 HydrophobicContact CD1-CE2 3.86Å; I18-F90 HydrophobicContact CD1-CZ 3.32Å; I18-F90 HydrophobicContact CG1-CZ 4.1Å; I18-L94 HydrophobicContact CB-CD2 4.42Å; I18-L94 HydrophobicContact CG1-CD2 4.39Å; I18-L94 HydrophobicContact CG2-CD2 3.22Å
19	T	66.6	Low	61.7	Low	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-58.9	-51.9	179	-66.1	0	0	0	0	110.7	S15 F16 L17 C21 I22 F23 I30 A32 S35	S15-T19 WeakPolarHBondContact O-CB 3.48Å; S15-T19 PolarHBondContact O-N 3.17Å; S15-T19 PolarHBondContact O-OG1 3.34Å; F16-T19 WeakPolarHBondContact O-CB 3.21Å; F16-T19 PolarHBondContact O-N 2.65Å; L17-T19 VanDerWaalsContact C-N 3.31Å; L17-T19 PolarHBondContact O-N 3.29Å; T19-C21 VanDerWaalsContact C-N 3.35Å; T19-C21 PolarHBondContact O-N 2.85Å; T19-I22 PolarHBondContact O-N 3.09Å; T19-F23 HydrophobicContact CG2-CD2 4.11Å; T19-F23 WeakPolarHBondContact O-CD2 3.46Å; T19-F23 PolarHBondContact O-N 3.05Å; T19-I30 HydrophobicContact CG2-CG2 4.39Å; T19-A32 HydrophobicContact CG2-CB 4.05Å; T19-S35 WeakPolarHBondContact CG2-OG 3.41Å
20	C	62.7	Low	63	Low	32 Å²	32	58.8 Å²	58.8	22%	0.216	33%	0.332	C	S	.	.	H	α-helix	trans	-60.8	-43.9	178.3	-72.6	0	0	0	0	111.4	F16 L17 I22 S24	F16-C20 WeakPolarHBondContact CE1-SG 3.45Å; F16-C20 WeakPolarHBondContact O-CB 3.34Å; F16-C20 PolarHBondContact O-N 3.24Å; F16-C20 PolarHBondContact O-SG 3.01Å; F16-C20 VanDerWaalsContact O-SG 3.4Å; L17-C20 PolarHBondContact O-N 2.83Å; C20-I22 PolarHBondContact O-N 3.06Å; C20-S24 WeakPolarHBondContact O-CA 3.46Å; C20-S24 WeakPolarHBondContact O-CB 3.5Å; C20-S24 PolarHBondContact O-N 2.86Å; C20-S24 PolarHBondContact O-OG 3.23Å
21	C	66	Low	63.9	Low	70 Å²	70	59 Å²	59	47%	0.473	33%	0.327	S	S	.	.	H	α-helix	trans	-59.5	-49.3	176.9	-74	0	0	0	0	110.7	L17 I18 T19 I25	L17-C21 VanDerWaalsContact O-CB 3.25Å; L17-C21 WeakPolarHBondContact O-CB 3.35Å; L17-C21 PolarHBondContact O-N 2.92Å; L17-C21 PolarHBondContact O-SG 2.98Å; I18-C21 PolarHBondContact O-N 2.98Å; T19-C21 VanDerWaalsContact C-N 3.35Å; T19-C21 PolarHBondContact O-N 2.85Å; C21-I25 WeakPolarHBondContact O-CB 3.42Å; C21-I25 WeakPolarHBondContact O-CD1 3.16Å; C21-I25 WeakPolarHBondContact O-CG1 3.31Å; C21-I25 PolarHBondContact O-N 2.95Å
22	I	61.7	Low	64.4	Low	19 Å²	19	53.2 Å²	53.2	10%	0.097	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-49.6	-177.9	-68.6	172.5	0	0	0	111.4	I18 T19 C20 N26 L94 W97 N98	I18-I22 HydrophobicContact CG2-CD1 3.94Å; I18-I22 WeakPolarHBondContact O-CG1 3.33Å; I18-I22 PolarHBondContact O-N 3.16Å; T19-I22 PolarHBondContact O-N 3.09Å; C20-I22 PolarHBondContact O-N 3.06Å; I22-N26 PolarHBondContact O-ND2 3.18Å; I22-L94 HydrophobicContact CD1-CB 4.39Å; I22-L94 HydrophobicContact CD1-CD2 4Å; I22-W97 HydrophobicContact CD1-CB 4.01Å; I22-N98 HydrophobicContact CG2-CB 4.19Å
23	F	62	Low	64.8	Low	5 Å²	5	57.5 Å²	57.5	2%	0.022	31%	0.311	C	S	.	.	H	α-helix	trans	-87	-33.1	-171.2	-71.8	-83.1	0	0	0	113.6	T19 N26 S27 V28 I30 W97	T19-F23 HydrophobicContact CG2-CD2 4.11Å; T19-F23 WeakPolarHBondContact O-CD2 3.46Å; T19-F23 PolarHBondContact O-N 3.05Å; F23-N26 CarbonylContact O-C 3.57Å; F23-N26 PolarHBondContact O-N 3.25Å; F23-N26 VanDerWaalsContact O-N 3.13Å; F23-S27 PolarHBondContact O-N 3.44Å; F23-S27 VanDerWaalsContact O-N 3.16Å; F23-V28 HydrophobicContact CB-CB 4.34Å; F23-V28 HydrophobicContact CD1-CB 3.93Å; F23-V28 HydrophobicContact CD1-CG1 3.86Å; F23-V28 HydrophobicContact CD1-CG2 4.46Å; F23-V28 PolarHBondContact O-N 3.43Å; F23-I30 HydrophobicContact CB-CB 4.14Å; F23-I30 HydrophobicContact CB-CG2 3.3Å; F23-I30 HydrophobicContact CD1-CB 4.32Å; F23-I30 HydrophobicContact CD1-CD1 3.84Å; F23-I30 HydrophobicContact CD1-CG2 4.33Å; F23-I30 HydrophobicContact CD2-CD1 3.59Å; F23-I30 HydrophobicContact CD2-CG2 4.04Å; F23-I30 HydrophobicContact CE1-CD1 3.75Å; F23-I30 HydrophobicContact CE2-CD1 3.5Å; F23-I30 HydrophobicContact CG-CB 4.12Å; F23-I30 HydrophobicContact CG-CD1 3.77Å; F23-I30 HydrophobicContact CG-CG2 3.66Å; F23-I30 HydrophobicContact CZ-CD1 3.59Å; F23-W97 AromaticContact CE2-CE3 3.99Å; F23-W97 HydrophobicContact CE2-CE3 3.99Å; F23-W97 HydrophobicContact CE2-CZ3 4.23Å
24	S	62.3	Low	64.8	Low	79 Å²	79	61.1 Å²	61.1	55%	0.552	33%	0.328	S	S	*	.	H	α-helix	trans	-70.9	-35.6	175.4	-54.3	0	0	0	0	112.1	C20 N26 S27	C20-S24 WeakPolarHBondContact O-CA 3.46Å; C20-S24 WeakPolarHBondContact O-CB 3.5Å; C20-S24 PolarHBondContact O-N 2.86Å; C20-S24 PolarHBondContact O-OG 3.23Å; S24-N26 PolarHBondContact O-N 2.94Å; S24-N26 VanDerWaalsContact O-N 3.17Å; S24-S27 PolarHBondContact O-N 3.12Å; S24-S27 VanDerWaalsContact O-N 3.1Å
25	I	58.4	Low	64.8	Low	133 Å²	133	59.1 Å²	59.1	68%	0.682	32%	0.318	S	S	*	.	H	α-helix	trans	-57.8	-29.2	171.1	-72.7	171.7	0	0	0	110.6	C21	C21-I25 WeakPolarHBondContact O-CB 3.42Å; C21-I25 WeakPolarHBondContact O-CD1 3.16Å; C21-I25 WeakPolarHBondContact O-CG1 3.31Å; C21-I25 PolarHBondContact O-N 2.95Å
26	N	58.6	Low	64.8	Low	10 Å²	10	59.4 Å²	59.4	5%	0.053	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	7.4	-178	-68.2	-46.9	0	0	0	114	I22 F23 S24 V28 N98 S101 Q102	I22-N26 PolarHBondContact O-ND2 3.18Å; F23-N26 CarbonylContact O-C 3.57Å; F23-N26 PolarHBondContact O-N 3.25Å; F23-N26 VanDerWaalsContact O-N 3.13Å; S24-N26 PolarHBondContact O-N 2.94Å; S24-N26 VanDerWaalsContact O-N 3.17Å; N26-V28 HydrophobicContact CB-CG2 4.04Å; N26-V28 PolarHBondContact O-N 2.93Å; N26-V28 VanDerWaalsContact O-N 3.08Å; N26-N98 PolarHBondContact ND2-OD1 3.17Å; N26-S101 PolarHBondContact ND2-OG 2.72Å; N26-Q102 VanDerWaalsContact CG-NE2 3.26Å; N26-Q102 PolarHBondContact ND2-NE2 3.16Å; N26-Q102 PolarHBondContact OD1-NE2 3.1Å
27	S	63.7	Low	65	Low	105 Å²	105	57.5 Å²	57.5	73%	0.734	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	25.8	-176.2	-55	0	0	0	0	114.2	F23 S24	F23-S27 PolarHBondContact O-N 3.44Å; F23-S27 VanDerWaalsContact O-N 3.16Å; S24-S27 PolarHBondContact O-N 3.12Å; S24-S27 VanDerWaalsContact O-N 3.1Å
28	V	61	Low	65.3	Low	26 Å²	26	59.6 Å²	59.6	16%	0.158	32%	0.324	C	S	.	.			trans	-85.9	117.9	177.1	178.3	0	0	0	0	107.7	F23 N26 I30 I104 R105	F23-V28 HydrophobicContact CB-CB 4.34Å; F23-V28 HydrophobicContact CD1-CB 3.93Å; F23-V28 HydrophobicContact CD1-CG1 3.86Å; F23-V28 HydrophobicContact CD1-CG2 4.46Å; F23-V28 PolarHBondContact O-N 3.43Å; N26-V28 HydrophobicContact CB-CG2 4.04Å; N26-V28 PolarHBondContact O-N 2.93Å; N26-V28 VanDerWaalsContact O-N 3.08Å; V28-I30 PolarHBondContact O-N 3.07Å; V28-I104 HydrophobicContact CG1-CG2 4.19Å; V28-R105 HydrophobicContact CG2-CB 4.46Å
29	N	65.7	Low	65.5	Low	169 Å²	169	59 Å²	59	90%	0.904	32%	0.322	S	S	*	.			trans	-72.6	94.1	175.2	-165.4	5.6	0	0	0	109.2
30	I	65	Low	66	Low	50 Å²	50	59.6 Å²	59.6	26%	0.256	32%	0.324	S	S	.	.			trans	-108.4	141.8	-179.7	-171.2	163.1	0	0	0	110.8	T19 F23 V28 A32 S35	T19-I30 HydrophobicContact CG2-CG2 4.39Å; F23-I30 HydrophobicContact CB-CB 4.14Å; F23-I30 HydrophobicContact CB-CG2 3.3Å; F23-I30 HydrophobicContact CD1-CB 4.32Å; F23-I30 HydrophobicContact CD1-CD1 3.84Å; F23-I30 HydrophobicContact CD1-CG2 4.33Å; F23-I30 HydrophobicContact CD2-CD1 3.59Å; F23-I30 HydrophobicContact CD2-CG2 4.04Å; F23-I30 HydrophobicContact CE1-CD1 3.75Å; F23-I30 HydrophobicContact CE2-CD1 3.5Å; F23-I30 HydrophobicContact CG-CB 4.12Å; F23-I30 HydrophobicContact CG-CD1 3.77Å; F23-I30 HydrophobicContact CG-CG2 3.66Å; F23-I30 HydrophobicContact CZ-CD1 3.59Å; V28-I30 PolarHBondContact O-N 3.07Å; I30-A32 PolarHBondContact O-N 3.41Å; I30-S35 WeakPolarHBondContact CD1-OG 3.23Å
31	N	68.8	Low	66.6	Low	88 Å²	88	61.9 Å²	61.9	47%	0.471	33%	0.334	S	S	.	.			trans	-72.8	98.8	164.3	-175.3	-44.2	0	0	0	108.7	Y33 K34 S35	N31-Y33 PolarHBondContact O-N 2.78Å; N31-Y33 WeakPolarHBondContact OD1-CB 3.32Å; N31-Y33 PolarHBondContact OD1-N 3.11Å; N31-Y33 VanDerWaalsContact OD1-N 3.17Å; N31-K34 HydrophobicContact CB-CB 4.11Å; N31-K34 HydrophobicContact CB-CD 4.21Å; N31-K34 HydrophobicContact CB-CG 4.19Å; N31-K34 PolarHBondContact O-N 2.72Å; N31-K34 VanDerWaalsContact O-N 3.13Å; N31-K34 PolarHBondContact OD1-N 3.45Å; N31-S35 PolarHBondContact O-N 3.14Å
32	A	66	Low	67	Low	14 Å²	14	61.8 Å²	61.8	12%	0.116	33%	0.327	C	S	.	.	H	α-helix	trans	-59.8	-29.9	-174.5	0	0	0	0	0	113.5	F16 T19 I30 S35 D36	F16-A32 HydrophobicContact CD2-CB 3.7Å; F16-A32 HydrophobicContact CE2-CB 3.3Å; F16-A32 HydrophobicContact CZ-CB 4.03Å; T19-A32 HydrophobicContact CG2-CB 4.05Å; I30-A32 PolarHBondContact O-N 3.41Å; A32-S35 PolarHBondContact O-N 2.89Å; A32-D36 WeakPolarHBondContact O-CB 3.38Å; A32-D36 PolarHBondContact O-N 3.4Å
33	Y	65.9	Low	67.6	Low	131 Å²	131	61.4 Å²	61.4	51%	0.514	32%	0.324	S	S	.	.	H	α-helix	trans	-70.6	-44.1	175.6	-170.8	-92.8	0	0	0	112.3	N31 S35 D36 N37	N31-Y33 PolarHBondContact O-N 2.78Å; N31-Y33 WeakPolarHBondContact OD1-CB 3.32Å; N31-Y33 PolarHBondContact OD1-N 3.11Å; N31-Y33 VanDerWaalsContact OD1-N 3.17Å; Y33-S35 PolarHBondContact O-N 2.84Å; Y33-D36 WeakPolarHBondContact O-CB 3.35Å; Y33-D36 PolarHBondContact O-N 3.49Å; Y33-N37 PolarHBondContact O-N 3.4Å
34	K	67.8	Low	68.2	Low	142 Å²	142	61.7 Å²	61.7	62%	0.617	33%	0.326	S	S	*	.	H	α-helix	trans	-61	-38.9	173.2	-74.8	-173.1	177.2	-176.1	0	111.2	N31 L38	N31-K34 HydrophobicContact CB-CB 4.11Å; N31-K34 HydrophobicContact CB-CD 4.21Å; N31-K34 HydrophobicContact CB-CG 4.19Å; N31-K34 PolarHBondContact O-N 2.72Å; N31-K34 VanDerWaalsContact O-N 3.13Å; N31-K34 PolarHBondContact OD1-N 3.45Å; K34-L38 WeakPolarHBondContact O-CG 3.23Å; K34-L38 PolarHBondContact O-N 3.2Å; K34-L38 VanDerWaalsContact O-N 3.1Å
35	S	67.6	Low	68.7	Low	4 Å²	4	63.7 Å²	63.7	3%	0.028	33%	0.33	C	S	.	.	H	α-helix	trans	-67.9	-43.4	176.8	-158.1	0	0	0	0	111.2	T19 I30 N31 A32 Y33 N37 L38 L39 W97	T19-S35 WeakPolarHBondContact CG2-OG 3.41Å; I30-S35 WeakPolarHBondContact CD1-OG 3.23Å; N31-S35 PolarHBondContact O-N 3.14Å; A32-S35 PolarHBondContact O-N 2.89Å; Y33-S35 PolarHBondContact O-N 2.84Å; S35-N37 VanDerWaalsContact C-N 3.27Å; S35-N37 PolarHBondContact O-N 3.34Å; S35-L38 CarbonylContact O-C 3.59Å; S35-L38 WeakPolarHBondContact O-CA 3.44Å; S35-L38 WeakPolarHBondContact O-CB 3.46Å; S35-L38 PolarHBondContact O-N 3.13Å; S35-L39 PolarHBondContact O-N 2.75Å; S35-W97 VanDerWaalsContact O-CH2 3.23Å; S35-W97 WeakPolarHBondContact O-CH2 3.35Å; S35-W97 WeakPolarHBondContact OG-CH2 3.4Å; S35-W97 WeakPolarHBondContact OG-CZ3 3.42Å
36	D	69	Low	69.1	Low	5 Å²	5	61.3 Å²	61.3	3%	0.027	32%	0.319	C	S	.	.	H	α-helix	trans	-50.9	-48.4	174.7	-171.5	20.1	0	0	0	111.7	R13 S15 A32 Y33 L38 L39 Q40	R13-D36 IonicContact NH1-OD2 3.7Å; S15-D36 WeakPolarHBondContact CB-OD1 3.15Å; S15-D36 PolarHBondContact OG-OD1 3.29Å; S15-D36 PolarHBondContact OG-OD2 3.2Å; A32-D36 WeakPolarHBondContact O-CB 3.38Å; A32-D36 PolarHBondContact O-N 3.4Å; Y33-D36 WeakPolarHBondContact O-CB 3.35Å; Y33-D36 PolarHBondContact O-N 3.49Å; D36-L38 VanDerWaalsContact C-N 3.33Å; D36-L38 PolarHBondContact O-N 3.19Å; D36-L39 WeakPolarHBondContact O-CB 3.33Å; D36-L39 PolarHBondContact O-N 3.22Å; D36-L39 VanDerWaalsContact O-N 3.1Å; D36-Q40 PolarHBondContact O-N 3.33Å
37	N	70.8	Confident	69.3	Low	47 Å²	47	61.8 Å²	61.8	25%	0.251	32%	0.321	S	S	.	.	H	α-helix	trans	-61.9	-36.5	175.4	-70.4	-10.4	0	0	0	113.2	Y33 S35 N41	Y33-N37 PolarHBondContact O-N 3.4Å; S35-N37 VanDerWaalsContact C-N 3.27Å; S35-N37 PolarHBondContact O-N 3.34Å; N37-N41 WeakPolarHBondContact O-CB 3.09Å; N37-N41 PolarHBondContact O-N 3.15Å; N37-N41 PolarHBondContact O-ND2 3.37Å; N37-N41 VanDerWaalsContact O-ND2 3.12Å
38	L	72.5	Confident	69.4	Low	108 Å²	108	65.5 Å²	65.5	57%	0.565	33%	0.327	S	S	*	.	H	α-helix	trans	-67.4	-37.2	174.4	-73	170.9	0	0	0	111.9	K34 S35 D36 N41 H42 W97	K34-L38 WeakPolarHBondContact O-CG 3.23Å; K34-L38 PolarHBondContact O-N 3.2Å; K34-L38 VanDerWaalsContact O-N 3.1Å; S35-L38 CarbonylContact O-C 3.59Å; S35-L38 WeakPolarHBondContact O-CA 3.44Å; S35-L38 WeakPolarHBondContact O-CB 3.46Å; S35-L38 PolarHBondContact O-N 3.13Å; D36-L38 VanDerWaalsContact C-N 3.33Å; D36-L38 PolarHBondContact O-N 3.19Å; L38-N41 PolarHBondContact O-N 2.7Å; L38-H42 WeakPolarHBondContact O-CB 3.49Å; L38-H42 PolarHBondContact O-N 3.19Å; L38-W97 HydrophobicContact CB-CH2 4.15Å; L38-W97 HydrophobicContact CB-CZ2 4.14Å
39	L	73.5	Confident	69.9	Low	3 Å²	3	66.9 Å²	66.9	2%	0.016	33%	0.334	C	S	.	.	H	α-helix	trans	-64.6	-46.9	176.6	-175.4	62.7	0	0	0	109.9	I18 S35 D36 H42 W43 V93 W97	I18-L39 HydrophobicContact CG2-CD2 4.44Å; S35-L39 PolarHBondContact O-N 2.75Å; D36-L39 WeakPolarHBondContact O-CB 3.33Å; D36-L39 PolarHBondContact O-N 3.22Å; D36-L39 VanDerWaalsContact O-N 3.1Å; L39-H42 PolarHBondContact O-N 2.9Å; L39-W43 WeakPolarHBondContact O-CB 3.32Å; L39-W43 PolarHBondContact O-N 2.89Å; L39-V93 HydrophobicContact CD1-CG1 3.66Å; L39-W97 HydrophobicContact CB-CH2 3.4Å; L39-W97 VanDerWaalsContact CB-CH2 3.4Å; L39-W97 HydrophobicContact CB-CZ2 3.69Å; L39-W97 HydrophobicContact CB-CZ3 4.02Å; L39-W97 HydrophobicContact CD1-CD2 4.22Å; L39-W97 HydrophobicContact CD1-CE3 4.43Å; L39-W97 HydrophobicContact CD1-CH2 4.14Å; L39-W97 HydrophobicContact CD1-CZ2 3.88Å; L39-W97 HydrophobicContact CD1-CZ3 4.37Å; L39-W97 HydrophobicContact CG-CH2 4.32Å; L39-W97 HydrophobicContact CG-CZ2 4.4Å; L39-W97 VanDerWaalsContact N-CH2 3.33Å
40	Q	76.6	Confident	70.7	Confident	11 Å²	11	65 Å²	65	5%	0.051	32%	0.323	C	S	.	.	H	α-helix	trans	-55.5	-55.3	174.7	-177.6	-177.5	31.3	0	0	110.9	D36 H42 W43 L44 L66 R67 F72	D36-Q40 PolarHBondContact O-N 3.33Å; Q40-H42 VanDerWaalsContact C-N 3.32Å; Q40-H42 PolarHBondContact O-N 3.35Å; Q40-W43 PolarHBondContact O-N 3.07Å; Q40-L44 HydrophobicContact CG-CD1 3.93Å; Q40-L44 HydrophobicContact CG-CG 4.42Å; Q40-L44 WeakPolarHBondContact O-CB 3.37Å; Q40-L44 VanDerWaalsContact O-CG 3.23Å; Q40-L44 WeakPolarHBondContact O-CG 3.48Å; Q40-L44 PolarHBondContact O-N 2.7Å; Q40-L66 PolarHBondContact NE2-O 3.18Å; Q40-R67 PolarHBondContact NE2-O 2.93Å; Q40-F72 VanDerWaalsContact CA-CZ 3.41Å; Q40-F72 HydrophobicContact CB-CD1 3.99Å; Q40-F72 HydrophobicContact CB-CD2 4.31Å; Q40-F72 HydrophobicContact CB-CE1 3.68Å; Q40-F72 HydrophobicContact CB-CE2 4.03Å; Q40-F72 HydrophobicContact CB-CG 4.29Å; Q40-F72 HydrophobicContact CB-CZ 3.71Å; Q40-F72 HydrophobicContact CG-CD1 4.06Å; Q40-F72 HydrophobicContact CG-CD2 3.68Å; Q40-F72 HydrophobicContact CG-CE1 4.12Å; Q40-F72 HydrophobicContact CG-CE2 3.74Å; Q40-F72 HydrophobicContact CG-CG 3.85Å; Q40-F72 HydrophobicContact CG-CZ 3.97Å
41	N	76.4	Confident	71.3	Confident	81 Å²	81	65.4 Å²	65.4	43%	0.433	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-39.6	179.7	-71.8	-28.7	0	0	0	112.6	N37 L38 L44 N45	N37-N41 WeakPolarHBondContact O-CB 3.09Å; N37-N41 PolarHBondContact O-N 3.15Å; N37-N41 PolarHBondContact O-ND2 3.37Å; N37-N41 VanDerWaalsContact O-ND2 3.12Å; L38-N41 PolarHBondContact O-N 2.7Å; N41-L44 PolarHBondContact O-N 3.38Å; N41-N45 WeakPolarHBondContact O-CB 3.3Å; N41-N45 PolarHBondContact O-N 3.43Å; N41-N45 PolarHBondContact O-ND2 3.06Å
42	H	74	Confident	71.6	Confident	68 Å²	68	61.5 Å²	61.5	32%	0.315	31%	0.305	S	S	.	.	H	α-helix	trans	-67.5	-37.8	178.4	-168.9	75.3	0	0	0	111.9	L38 L39 Q40 N46 E96	L38-H42 WeakPolarHBondContact O-CB 3.49Å; L38-H42 PolarHBondContact O-N 3.19Å; L39-H42 PolarHBondContact O-N 2.9Å; Q40-H42 VanDerWaalsContact C-N 3.32Å; Q40-H42 PolarHBondContact O-N 3.35Å; H42-N46 PolarHBondContact O-N 3.5Å; H42-N46 PolarHBondContact O-ND2 3.09Å; H42-E96 IonicContact NE2-OE2 3.84Å
43	W	73.5	Confident	72.4	Confident	10 Å²	10	67.7 Å²	67.7	4%	0.038	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-45.8	173.4	-170.7	-95.7	0	0	0	111.6	L39 Q40 N45 N46 L52 L76 R89 F90 V93	L39-W43 WeakPolarHBondContact O-CB 3.32Å; L39-W43 PolarHBondContact O-N 2.89Å; Q40-W43 PolarHBondContact O-N 3.07Å; W43-N45 VanDerWaalsContact C-N 3.34Å; W43-N45 PolarHBondContact O-N 2.84Å; W43-N46 WeakPolarHBondContact O-CB 3.19Å; W43-N46 PolarHBondContact O-N 2.68Å; W43-L52 HydrophobicContact CZ2-CD1 4.06Å; W43-L52 HydrophobicContact CZ2-CD2 4.35Å; W43-L76 HydrophobicContact CD2-CD1 4.01Å; W43-L76 HydrophobicContact CG-CD1 4.14Å; W43-L76 HydrophobicContact CZ2-CD1 4.42Å; W43-R89 HydrophobicContact CH2-CB 4.36Å; W43-F90 HydrophobicContact CH2-CB 4.14Å; W43-F90 HydrophobicContact CZ3-CB 4.11Å; W43-F90 HydrophobicContact CZ3-CD2 4.37Å; W43-V93 HydrophobicContact CE3-CG2 4.15Å; W43-V93 HydrophobicContact CZ3-CG2 4.14Å
44	L	74.2	Confident	73.2	Confident	11 Å²	11	66.5 Å²	66.5	6%	0.058	33%	0.325	C	S	.	.	H	α-helix	trans	-60.4	-39.9	176.8	-70.9	173.5	0	0	0	112.2	Q40 N41 N46 I47 E63 L66 R67	Q40-L44 HydrophobicContact CG-CD1 3.93Å; Q40-L44 HydrophobicContact CG-CG 4.42Å; Q40-L44 WeakPolarHBondContact O-CB 3.37Å; Q40-L44 VanDerWaalsContact O-CG 3.23Å; Q40-L44 WeakPolarHBondContact O-CG 3.48Å; Q40-L44 PolarHBondContact O-N 2.7Å; N41-L44 PolarHBondContact O-N 3.38Å; L44-N46 PolarHBondContact O-N 2.86Å; L44-I47 HydrophobicContact CB-CD1 4.32Å; L44-I47 HydrophobicContact CD2-CD1 3.44Å; L44-I47 VanDerWaalsContact CD2-CD1 3.44Å; L44-I47 HydrophobicContact CG-CD1 4.46Å; L44-I47 WeakPolarHBondContact O-CB 3.35Å; L44-I47 VanDerWaalsContact O-CG1 3.31Å; L44-I47 WeakPolarHBondContact O-CG1 3.17Å; L44-I47 PolarHBondContact O-N 2.74Å; L44-E63 HydrophobicContact CD2-CG 4.29Å; L44-L66 HydrophobicContact CD2-CB 3.58Å; L44-L66 HydrophobicContact CD2-CD1 4.25Å; L44-R67 HydrophobicContact CD1-CB 4.49Å; L44-R67 HydrophobicContact CD1-CG 3.52Å; L44-R67 HydrophobicContact CD2-CG 4.36Å
45	N	72.8	Confident	73.9	Confident	122 Å²	122	60 Å²	60	65%	0.652	30%	0.297	S	S	*	.	H	α-helix	trans	-64.7	-20.5	176.8	-73.8	-16.4	0	0	0	113	N41 W43 I47	N41-N45 WeakPolarHBondContact O-CB 3.3Å; N41-N45 PolarHBondContact O-N 3.43Å; N41-N45 PolarHBondContact O-ND2 3.06Å; W43-N45 VanDerWaalsContact C-N 3.34Å; W43-N45 PolarHBondContact O-N 2.84Å; N45-I47 VanDerWaalsContact C-N 3.33Å
46	N	67.5	Low	74.8	Confident	82 Å²	82	60.3 Å²	60.3	44%	0.439	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-88	5.5	173.1	-72.4	-64.8	0	0	0	113.1	H42 W43 L44 Q48 D49	H42-N46 PolarHBondContact O-N 3.5Å; H42-N46 PolarHBondContact O-ND2 3.09Å; W43-N46 WeakPolarHBondContact O-CB 3.19Å; W43-N46 PolarHBondContact O-N 2.68Å; L44-N46 PolarHBondContact O-N 2.86Å; N46-Q48 PolarHBondContact O-N 2.95Å; N46-D49 VanDerWaalsContact O-CB 3.3Å; N46-D49 WeakPolarHBondContact O-CB 3.36Å; N46-D49 PolarHBondContact O-N 2.79Å
47	I	64.1	Low	75.7	Confident	20 Å²	20	65.9 Å²	65.9	10%	0.103	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-64.7	-18	175.9	-75.9	174.6	0	0	0	113.4	L44 N45 D49 L52 M56 E63 L66	L44-I47 HydrophobicContact CB-CD1 4.32Å; L44-I47 HydrophobicContact CD2-CD1 3.44Å; L44-I47 VanDerWaalsContact CD2-CD1 3.44Å; L44-I47 HydrophobicContact CG-CD1 4.46Å; L44-I47 WeakPolarHBondContact O-CB 3.35Å; L44-I47 VanDerWaalsContact O-CG1 3.31Å; L44-I47 WeakPolarHBondContact O-CG1 3.17Å; L44-I47 PolarHBondContact O-N 2.74Å; N45-I47 VanDerWaalsContact C-N 3.33Å; I47-D49 PolarHBondContact O-N 2.59Å; I47-L52 HydrophobicContact CG1-CD2 3.92Å; I47-M56 HydrophobicContact CD1-CE 4.18Å; I47-M56 HydrophobicContact CD1-SD 3.87Å; I47-M56 HydrophobicContact CG1-SD 4.06Å; I47-M56 HydrophobicContact CG2-SD 4.46Å; I47-E63 HydrophobicContact CD1-CG 4.01Å; I47-L66 HydrophobicContact CD1-CD1 4.14Å
48	Q	65.1	Low	76.4	Confident	184 Å²	184	69.5 Å²	69.5	86%	0.86	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-61.5	-7.6	173	-64	-170.6	-1.7	0	0	113.6	N46 D50	N46-Q48 PolarHBondContact O-N 2.95Å; Q48-D50 PolarHBondContact O-N 3.49Å
49	D	71.7	Confident	77	Confident	55 Å²	55	67.2 Å²	67.2	29%	0.294	33%	0.326	S	S	.	.	S	Bend	trans	-75.9	112	171.2	-171.3	-56.1	0	0	0	110.8	N46 I47 D51 L52 R53 R89	N46-D49 VanDerWaalsContact O-CB 3.3Å; N46-D49 WeakPolarHBondContact O-CB 3.36Å; N46-D49 PolarHBondContact O-N 2.79Å; I47-D49 PolarHBondContact O-N 2.59Å; D49-D51 PolarHBondContact O-N 3.12Å; D49-D51 WeakPolarHBondContact OD1-CB 3.23Å; D49-D51 PolarHBondContact OD1-N 2.91Å; D49-D51 VanDerWaalsContact OD1-N 3.11Å; D49-L52 HydrophobicContact CB-CB 4.44Å; D49-L52 PolarHBondContact O-N 3.36Å; D49-R53 PolarHBondContact O-N 2.98Å; D49-R53 VanDerWaalsContact O-N 3.12Å; D49-R89 VanDerWaalsContact CG-CZ 3.42Å; D49-R89 IonicContact OD1-CZ 2.95Å; D49-R89 VanDerWaalsContact OD1-CZ 3.26Å; D49-R89 IonicContact OD1-NH1 3.34Å; D49-R89 PolarHBondContact OD1-NH1 3.4Å; D49-R89 IonicContact OD1-NH2 2.65Å; D49-R89 PolarHBondContact OD1-NH2 3.26Å; D49-R89 IonicContact OD2-CZ 2.74Å; D49-R89 IonicContact OD2-NE 2.79Å; D49-R89 IonicContact OD2-NH1 3.8Å; D49-R89 PolarHBondContact OD2-NH1 2.84Å; D49-R89 VanDerWaalsContact OD2-NH1 3.09Å; D49-R89 IonicContact OD2-NH2 2.95Å; D49-R89 PolarHBondContact OD2-NH2 3.35Å
50	D	80.9	Confident	77.8	Confident	128 Å²	128	73.7 Å²	73.7	68%	0.684	36%	0.361	S	S	*	.	H	α-helix	trans	-51.3	-33.5	-177.9	-69.4	-30.9	0	0	0	113.2	Q48 R53 Q54	Q48-D50 PolarHBondContact O-N 3.49Å; D50-R53 PolarHBondContact O-N 3.33Å; D50-Q54 WeakPolarHBondContact O-CB 3.43Å; D50-Q54 PolarHBondContact O-N 3.08Å
51	D	77.9	Confident	78.3	Confident	59 Å²	59	73.5 Å²	73.5	32%	0.316	36%	0.36	S	S	.	.	H	α-helix	trans	-69.5	-37.8	178.7	-53.8	-83	0	0	0	112.2	D49 R53 A55 K85 R89	D49-D51 PolarHBondContact O-N 3.12Å; D49-D51 WeakPolarHBondContact OD1-CB 3.23Å; D49-D51 PolarHBondContact OD1-N 2.91Å; D49-D51 VanDerWaalsContact OD1-N 3.11Å; D51-R53 VanDerWaalsContact C-N 3.34Å; D51-A55 VanDerWaalsContact O-CB 3.32Å; D51-A55 WeakPolarHBondContact O-CB 3.45Å; D51-A55 PolarHBondContact O-N 3.35Å; D51-K85 IonicContact OD1-NZ 3.65Å; D51-K85 PolarHBondContact OD1-NZ 3.2Å; D51-K85 WeakPolarHBondContact OD2-CE 3.42Å; D51-K85 IonicContact OD2-NZ 2.59Å; D51-K85 PolarHBondContact OD2-NZ 2.87Å; D51-R89 IonicContact OD2-CZ 3.18Å; D51-R89 IonicContact OD2-NH1 3.29Å; D51-R89 IonicContact OD2-NH2 3.34Å; D51-R89 PolarHBondContact OD2-NH2 2.9Å
52	L	76.8	Confident	78.7	Confident	6 Å²	6	72.7 Å²	72.7	3%	0.031	36%	0.358	C	S	.	.	H	α-helix	trans	-71.1	-38.1	178.6	-176.5	62.7	0	0	0	109.8	W43 I47 D49 A55 M56 L79	W43-L52 HydrophobicContact CZ2-CD1 4.06Å; W43-L52 HydrophobicContact CZ2-CD2 4.35Å; I47-L52 HydrophobicContact CG1-CD2 3.92Å; D49-L52 HydrophobicContact CB-CB 4.44Å; D49-L52 PolarHBondContact O-N 3.36Å; L52-A55 PolarHBondContact O-N 2.94Å; L52-M56 HydrophobicContact CG-SD 4.46Å; L52-M56 VanDerWaalsContact O-CG 3.28Å; L52-M56 WeakPolarHBondContact O-CG 3.48Å; L52-M56 PolarHBondContact O-N 2.88Å; L52-L79 HydrophobicContact CD1-CD1 4.45Å
53	R	81.2	Confident	79.2	Confident	145 Å²	145	72.7 Å²	72.7	55%	0.547	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-45	174.9	-169.5	176.7	176.9	157.1	4	111.6	D49 D50 D51 A55 M56 E57	D49-R53 PolarHBondContact O-N 2.98Å; D49-R53 VanDerWaalsContact O-N 3.12Å; D50-R53 PolarHBondContact O-N 3.33Å; D51-R53 VanDerWaalsContact C-N 3.34Å; R53-A55 PolarHBondContact O-N 3.1Å; R53-M56 WeakPolarHBondContact O-CB 3.42Å; R53-M56 PolarHBondContact O-N 3.09Å; R53-E57 IonicContact NE-OE1 3.62Å; R53-E57 WeakPolarHBondContact O-CG 2.91Å; R53-E57 PolarHBondContact O-N 3.27Å
54	Q	83.8	Confident	79.8	Confident	106 Å²	106	78.6 Å²	78.6	50%	0.495	39%	0.386	S	S	.	.	H	α-helix	trans	-60.9	-45.3	174.4	-174.7	-178.6	-14	0	0	111.4	D50 M56 E57 E58	D50-Q54 WeakPolarHBondContact O-CB 3.43Å; D50-Q54 PolarHBondContact O-N 3.08Å; Q54-M56 VanDerWaalsContact C-N 3.27Å; Q54-M56 PolarHBondContact O-N 3.13Å; Q54-E57 PolarHBondContact O-N 3.1Å; Q54-E57 VanDerWaalsContact O-N 3.14Å; Q54-E58 HydrophobicContact CG-CG 4.44Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.49Å; Q54-E58 PolarHBondContact NE2-OE1 3.36Å; Q54-E58 WeakPolarHBondContact O-CG 3.42Å; Q54-E58 PolarHBondContact O-N 2.92Å
55	A	82.7	Confident	80.3	Confident	4 Å²	4	81 Å²	81	3%	0.033	40%	0.397	C	S	.	.	H	α-helix	trans	-61.1	-35.8	176.6	0	0	0	0	0	112.8	D51 L52 R53 E59 L79 L82	D51-A55 VanDerWaalsContact O-CB 3.32Å; D51-A55 WeakPolarHBondContact O-CB 3.45Å; D51-A55 PolarHBondContact O-N 3.35Å; L52-A55 PolarHBondContact O-N 2.94Å; R53-A55 PolarHBondContact O-N 3.1Å; A55-E59 WeakPolarHBondContact O-CB 3.18Å; A55-E59 WeakPolarHBondContact O-CG 3.44Å; A55-E59 PolarHBondContact O-N 3.18Å; A55-L79 HydrophobicContact CB-CD2 4.39Å; A55-L82 HydrophobicContact CB-CD1 3.75Å
56	M	86.3	Confident	80.7	Confident	12 Å²	12	75.2 Å²	75.2	6%	0.059	37%	0.366	C	S	.	.	H	α-helix	trans	-66.4	-44.3	173.1	-75.4	173.1	58.1	0	0	111.7	I47 L52 R53 Q54 E59 N60 I61 E63 L66 L79	I47-M56 HydrophobicContact CD1-CE 4.18Å; I47-M56 HydrophobicContact CD1-SD 3.87Å; I47-M56 HydrophobicContact CG1-SD 4.06Å; I47-M56 HydrophobicContact CG2-SD 4.46Å; L52-M56 HydrophobicContact CG-SD 4.46Å; L52-M56 VanDerWaalsContact O-CG 3.28Å; L52-M56 WeakPolarHBondContact O-CG 3.48Å; L52-M56 PolarHBondContact O-N 2.88Å; R53-M56 WeakPolarHBondContact O-CB 3.42Å; R53-M56 PolarHBondContact O-N 3.09Å; Q54-M56 VanDerWaalsContact C-N 3.27Å; Q54-M56 PolarHBondContact O-N 3.13Å; M56-E59 PolarHBondContact O-N 3.13Å; M56-N60 PolarHBondContact O-N 3.41Å; M56-N60 VanDerWaalsContact O-N 3.16Å; M56-I61 HydrophobicContact CB-CB 4.43Å; M56-I61 PolarHBondContact O-N 2.9Å; M56-E63 HydrophobicContact CE-CB 4.37Å; M56-L66 HydrophobicContact CE-CD1 3.6Å; M56-L66 HydrophobicContact CG-CD1 4.2Å; M56-L66 HydrophobicContact SD-CD1 3.57Å; M56-L66 VanDerWaalsContact SD-CD1 3.57Å; M56-L79 HydrophobicContact CG-CD1 4.25Å; M56-L79 HydrophobicContact CG-CD2 4.07Å
57	E	86.9	Confident	81.4	Confident	122 Å²	122	78.4 Å²	78.4	57%	0.57	37%	0.372	S	S	*	.	H	α-helix	trans	-62.7	-45.7	177.5	-72.1	172.9	-171.6	0	0	111.7	R53 Q54 E59 N60	R53-E57 IonicContact NE-OE1 3.62Å; R53-E57 WeakPolarHBondContact O-CG 2.91Å; R53-E57 PolarHBondContact O-N 3.27Å; Q54-E57 PolarHBondContact O-N 3.1Å; Q54-E57 VanDerWaalsContact O-N 3.14Å; E57-E59 VanDerWaalsContact C-N 3.28Å; E57-E59 PolarHBondContact O-N 3.32Å; E57-N60 PolarHBondContact O-N 3.2Å; E57-N60 VanDerWaalsContact O-N 3.12Å
58	E	86.2	Confident	82.3	Confident	123 Å²	123	79.7 Å²	79.7	58%	0.575	38%	0.379	S	S	*	.	H	α-helix	trans	-59.4	-37.6	177.5	-73.8	175.1	-172.9	0	0	112.5	Q54 N60	Q54-E58 HydrophobicContact CG-CG 4.44Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.49Å; Q54-E58 PolarHBondContact NE2-OE1 3.36Å; Q54-E58 WeakPolarHBondContact O-CG 3.42Å; Q54-E58 PolarHBondContact O-N 2.92Å; E58-N60 VanDerWaalsContact C-N 3.34Å
59	E	85.6	Confident	82.7	Confident	59 Å²	59	72.8 Å²	72.8	28%	0.276	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	2.6	-179.9	-71.5	-68.5	125	0	0	114.3	A55 M56 E57 I61 R78 L82	A55-E59 WeakPolarHBondContact O-CB 3.18Å; A55-E59 WeakPolarHBondContact O-CG 3.44Å; A55-E59 PolarHBondContact O-N 3.18Å; M56-E59 PolarHBondContact O-N 3.13Å; E57-E59 VanDerWaalsContact C-N 3.28Å; E57-E59 PolarHBondContact O-N 3.32Å; E59-I61 VanDerWaalsContact C-N 3.29Å; E59-I61 HydrophobicContact CB-CD1 3.61Å; E59-I61 HydrophobicContact CB-CG1 3.74Å; E59-I61 HydrophobicContact CG-CD1 4.41Å; E59-I61 PolarHBondContact O-N 3.37Å; E59-R78 PolarHBondContact O-NH2 3.03Å; E59-R78 IonicContact OE2-CZ 2.7Å; E59-R78 IonicContact OE2-NE 2.68Å; E59-R78 PolarHBondContact OE2-NE 3.39Å; E59-R78 IonicContact OE2-NH2 2.93Å; E59-R78 PolarHBondContact OE2-NH2 3.28Å; E59-L82 HydrophobicContact CG-CD1 3.76Å; E59-L82 HydrophobicContact CG-CD2 3.72Å; E59-L82 HydrophobicContact CG-CG 4.29Å; E59-L82 WeakPolarHBondContact OE1-CD2 3.46Å
60	N	88.5	Confident	83.1	Confident	139 Å²	139	77.5 Å²	77.5	74%	0.743	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	44.9	-171.8	-63.7	-77.3	0	0	0	112.7	M56 E57 E58	M56-N60 PolarHBondContact O-N 3.41Å; M56-N60 VanDerWaalsContact O-N 3.16Å; E57-N60 PolarHBondContact O-N 3.2Å; E57-N60 VanDerWaalsContact O-N 3.12Å; E58-N60 VanDerWaalsContact C-N 3.34Å
61	I	87.3	Confident	83.2	Confident	8 Å²	8	74.7 Å²	74.7	4%	0.041	35%	0.353	C	S	.	.			trans	-103.4	121.7	178.5	-60.6	174.9	0	0	0	109	M56 E59 L66 L75 L79	M56-I61 HydrophobicContact CB-CB 4.43Å; M56-I61 PolarHBondContact O-N 2.9Å; E59-I61 VanDerWaalsContact C-N 3.29Å; E59-I61 HydrophobicContact CB-CD1 3.61Å; E59-I61 HydrophobicContact CB-CG1 3.74Å; E59-I61 HydrophobicContact CG-CD1 4.41Å; E59-I61 PolarHBondContact O-N 3.37Å; I61-L66 HydrophobicContact CG2-CD1 4.25Å; I61-L66 HydrophobicContact CG2-CD2 4.37Å; I61-L66 HydrophobicContact CG2-CG 3.86Å; I61-L75 HydrophobicContact CD1-CD2 3.9Å; I61-L75 HydrophobicContact CG1-CD2 3.98Å; I61-L75 HydrophobicContact CG2-CD1 4.1Å; I61-L75 HydrophobicContact CG2-CD2 4.31Å; I61-L79 HydrophobicContact CD1-CD2 3.96Å; I61-L79 HydrophobicContact CD1-CG 4.06Å
62	T	86.3	Confident	83.4	Confident	64 Å²	64	72 Å²	72	39%	0.393	34%	0.338	S	S	.	.			trans	-89.6	159.9	174.8	84.7	0	0	0	0	111.9	E64 Q65 L66	T62-E64 VanDerWaalsContact C-N 3.28Å; T62-E64 VanDerWaalsContact CB-OE2 3.25Å; T62-E64 WeakPolarHBondContact CB-OE2 3.23Å; T62-E64 PolarHBondContact O-N 3.31Å; T62-E64 PolarHBondContact OG1-N 2.95Å; T62-E64 PolarHBondContact OG1-OE2 3.31Å; T62-Q65 WeakPolarHBondContact O-CB 3.28Å; T62-Q65 PolarHBondContact O-N 2.53Å; T62-Q65 PolarHBondContact OG1-N 2.98Å; T62-L66 PolarHBondContact O-N 2.85Å
63	E	83.5	Confident	83.5	Confident	67 Å²	67	72.4 Å²	72.4	31%	0.313	34%	0.341	S	S	.	.	H	α-helix	trans	-63.2	-36.9	175.2	-166.9	-175.7	157.5	0	0	111.4	L44 I47 M56 Q65 L66 R67	L44-E63 HydrophobicContact CD2-CG 4.29Å; I47-E63 HydrophobicContact CD1-CG 4.01Å; M56-E63 HydrophobicContact CE-CB 4.37Å; E63-Q65 VanDerWaalsContact C-N 3.3Å; E63-Q65 PolarHBondContact O-N 2.67Å; E63-L66 CarbonylContact O-C 3.58Å; E63-L66 PolarHBondContact O-N 3.4Å; E63-L66 VanDerWaalsContact O-N 3.13Å; E63-R67 WeakPolarHBondContact O-CG 3.27Å; E63-R67 PolarHBondContact O-N 3.13Å; E63-R67 IonicContact OE1-CZ 3.7Å; E63-R67 IonicContact OE1-NE 2.78Å; E63-R67 PolarHBondContact OE1-NE 3.36Å; E63-R67 IonicContact OE1-NH2 2.65Å; E63-R67 PolarHBondContact OE1-NH2 3.45Å
64	E	85.7	Confident	83.6	Confident	135 Å²	135	74.1 Å²	74.1	63%	0.631	35%	0.347	S	S	*	.	H	α-helix	trans	-60.9	-40	175.9	-61.6	75.6	-164.6	0	0	111.7	T62 L66 R67 D68	T62-E64 VanDerWaalsContact C-N 3.28Å; T62-E64 VanDerWaalsContact CB-OE2 3.25Å; T62-E64 WeakPolarHBondContact CB-OE2 3.23Å; T62-E64 PolarHBondContact O-N 3.31Å; T62-E64 PolarHBondContact OG1-N 2.95Å; T62-E64 PolarHBondContact OG1-OE2 3.31Å; E64-L66 VanDerWaalsContact C-N 3.34Å; E64-R67 PolarHBondContact O-N 2.96Å; E64-D68 PolarHBondContact O-N 3.01Å
65	Q	85.4	Confident	83.6	Confident	61 Å²	61	69.5 Å²	69.5	29%	0.285	33%	0.326	S	S	.	.	H	α-helix	trans	-65.2	-38.3	175.2	-71.2	177.9	-40.3	0	0	111.8	T62 E63 R67 D68 Q71 L75	T62-Q65 WeakPolarHBondContact O-CB 3.28Å; T62-Q65 PolarHBondContact O-N 2.53Å; T62-Q65 PolarHBondContact OG1-N 2.98Å; E63-Q65 VanDerWaalsContact C-N 3.3Å; E63-Q65 PolarHBondContact O-N 2.67Å; Q65-R67 VanDerWaalsContact C-N 3.29Å; Q65-D68 PolarHBondContact O-N 3.17Å; Q65-Q71 WeakPolarHBondContact O-CB 3.34Å; Q65-L75 HydrophobicContact CB-CD1 3.63Å; Q65-L75 WeakPolarHBondContact O-CD1 3.11Å
66	L	81.8	Confident	83.6	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-70.3	-25.9	173.5	-76.4	173.2	0	0	0	112.9	Q40 L44 I47 M56 I61 T62 E63 E64 F72 L75 L79	Q40-L66 PolarHBondContact NE2-O 3.18Å; L44-L66 HydrophobicContact CD2-CB 3.58Å; L44-L66 HydrophobicContact CD2-CD1 4.25Å; I47-L66 HydrophobicContact CD1-CD1 4.14Å; M56-L66 HydrophobicContact CE-CD1 3.6Å; M56-L66 HydrophobicContact CG-CD1 4.2Å; M56-L66 HydrophobicContact SD-CD1 3.57Å; M56-L66 VanDerWaalsContact SD-CD1 3.57Å; I61-L66 HydrophobicContact CG2-CD1 4.25Å; I61-L66 HydrophobicContact CG2-CD2 4.37Å; I61-L66 HydrophobicContact CG2-CG 3.86Å; T62-L66 PolarHBondContact O-N 2.85Å; E63-L66 CarbonylContact O-C 3.58Å; E63-L66 PolarHBondContact O-N 3.4Å; E63-L66 VanDerWaalsContact O-N 3.13Å; E64-L66 VanDerWaalsContact C-N 3.34Å; L66-F72 HydrophobicContact CD2-CD2 4.15Å; L66-F72 HydrophobicContact CD2-CE2 4.49Å; L66-F72 VanDerWaalsContact O-CD2 3.23Å; L66-F72 WeakPolarHBondContact O-CD2 3.3Å; L66-L75 HydrophobicContact CD2-CB 3.64Å; L66-L75 HydrophobicContact CD2-CD1 4.3Å; L66-L79 HydrophobicContact CD1-CD1 3.93Å; L66-L79 HydrophobicContact CD2-CD1 3.83Å; L66-L79 HydrophobicContact CG-CD1 4.44Å
67	R	81.8	Confident	83.3	Confident	149 Å²	149	72.2 Å²	72.2	56%	0.562	34%	0.336	S	S	*	.	H	α-helix	trans	-77.6	-22.3	173.5	-73.2	169.7	177.1	-133.5	5	112.6	Q40 L44 E63 E64 Q65 P69	Q40-R67 PolarHBondContact NE2-O 2.93Å; L44-R67 HydrophobicContact CD1-CB 4.49Å; L44-R67 HydrophobicContact CD1-CG 3.52Å; L44-R67 HydrophobicContact CD2-CG 4.36Å; E63-R67 WeakPolarHBondContact O-CG 3.27Å; E63-R67 PolarHBondContact O-N 3.13Å; E63-R67 IonicContact OE1-CZ 3.7Å; E63-R67 IonicContact OE1-NE 2.78Å; E63-R67 PolarHBondContact OE1-NE 3.36Å; E63-R67 IonicContact OE1-NH2 2.65Å; E63-R67 PolarHBondContact OE1-NH2 3.45Å; E64-R67 PolarHBondContact O-N 2.96Å; Q65-R67 VanDerWaalsContact C-N 3.29Å; R67-P69 WeakPolarHBondContact O-CD 3.47Å
68	D	82.2	Confident	83.1	Confident	47 Å²	47	71 Å²	71	25%	0.251	33%	0.327	S	S	.	.			trans	-69.8	112.9	173.9	-178	-9.8	0	0	0	110.9	E64 Q65 H70 Q71 F72	E64-D68 PolarHBondContact O-N 3.01Å; Q65-D68 PolarHBondContact O-N 3.17Å; D68-H70 PolarHBondContact O-N 3.38Å; D68-H70 VanDerWaalsContact O-N 3.09Å; D68-H70 WeakPolarHBondContact OD1-CB 3.41Å; D68-H70 IonicContact OD1-CD2 3.09Å; D68-H70 PolarHBondContact OD1-CD2 2.92Å; D68-H70 IonicContact OD1-CG 3.7Å; D68-H70 PolarHBondContact OD1-N 3.14Å; D68-Q71 HydrophobicContact CB-CB 4.21Å; D68-Q71 HydrophobicContact CB-CG 4.28Å; D68-Q71 PolarHBondContact O-N 3.28Å; D68-Q71 WeakPolarHBondContact OD2-CG 3.43Å; D68-Q71 PolarHBondContact OD2-NE2 3.36Å; D68-F72 WeakPolarHBondContact O-CB 3.37Å; D68-F72 PolarHBondContact O-N 3.15Å
69	P	74.8	Confident	82.9	Confident	39 Å²	39	65.1 Å²	65.1	25%	0.253	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.7	-179.4	-21.2	33.6	0	0	0	113.7	R13 R67	R13-P69 PolarHBondContact NH1-O 3.16Å; R13-P69 PolarHBondContact NH2-O 3.24Å; R13-P69 VanDerWaalsContact NH2-O 3.13Å; R67-P69 WeakPolarHBondContact O-CD 3.47Å
70	H	79.9	Confident	82.8	Confident	154 Å²	154	62.4 Å²	62.4	71%	0.713	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-25.3	178.1	-61.1	-78.9	0	0	0	112.5	D68	D68-H70 PolarHBondContact O-N 3.38Å; D68-H70 VanDerWaalsContact O-N 3.09Å; D68-H70 WeakPolarHBondContact OD1-CB 3.41Å; D68-H70 IonicContact OD1-CD2 3.09Å; D68-H70 PolarHBondContact OD1-CD2 2.92Å; D68-H70 IonicContact OD1-CG 3.7Å; D68-H70 PolarHBondContact OD1-N 3.14Å
71	Q	82.3	Confident	82.3	Confident	69 Å²	69	62.9 Å²	62.9	32%	0.322	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-29.1	-179.3	-63.4	-175.2	64.7	0	0	112.6	Q65 D68 D73 R74 L75	Q65-Q71 WeakPolarHBondContact O-CB 3.34Å; D68-Q71 HydrophobicContact CB-CB 4.21Å; D68-Q71 HydrophobicContact CB-CG 4.28Å; D68-Q71 PolarHBondContact O-N 3.28Å; D68-Q71 WeakPolarHBondContact OD2-CG 3.43Å; D68-Q71 PolarHBondContact OD2-NE2 3.36Å; Q71-D73 VanDerWaalsContact C-N 3.32Å; Q71-D73 PolarHBondContact O-N 3.35Å; Q71-D73 VanDerWaalsContact O-N 3.16Å; Q71-R74 PolarHBondContact O-N 3.3Å; Q71-L75 HydrophobicContact CB-CD1 3.79Å; Q71-L75 HydrophobicContact CB-CG 4.36Å; Q71-L75 WeakPolarHBondContact O-CG 3.49Å; Q71-L75 PolarHBondContact O-N 2.89Å
72	F	82.2	Confident	81.9	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.009	30%	0.296	C	S	.	.	H	α-helix	trans	-47.3	-50.6	-171.9	177	-115.2	0	0	0	113.1	Q40 L66 D68 R74 L75 L76	Q40-F72 VanDerWaalsContact CA-CZ 3.41Å; Q40-F72 HydrophobicContact CB-CD1 3.99Å; Q40-F72 HydrophobicContact CB-CD2 4.31Å; Q40-F72 HydrophobicContact CB-CE1 3.68Å; Q40-F72 HydrophobicContact CB-CE2 4.03Å; Q40-F72 HydrophobicContact CB-CG 4.29Å; Q40-F72 HydrophobicContact CB-CZ 3.71Å; Q40-F72 HydrophobicContact CG-CD1 4.06Å; Q40-F72 HydrophobicContact CG-CD2 3.68Å; Q40-F72 HydrophobicContact CG-CE1 4.12Å; Q40-F72 HydrophobicContact CG-CE2 3.74Å; Q40-F72 HydrophobicContact CG-CG 3.85Å; Q40-F72 HydrophobicContact CG-CZ 3.97Å; L66-F72 HydrophobicContact CD2-CD2 4.15Å; L66-F72 HydrophobicContact CD2-CE2 4.49Å; L66-F72 VanDerWaalsContact O-CD2 3.23Å; L66-F72 WeakPolarHBondContact O-CD2 3.3Å; D68-F72 WeakPolarHBondContact O-CB 3.37Å; D68-F72 PolarHBondContact O-N 3.15Å; F72-R74 VanDerWaalsContact C-N 3.34Å; F72-R74 PolarHBondContact O-N 3.08Å; F72-L75 PolarHBondContact O-N 3.03Å; F72-L76 HydrophobicContact CE1-CD2 3.86Å; F72-L76 HydrophobicContact CE2-CB 4.23Å; F72-L76 HydrophobicContact CE2-CD1 4.32Å; F72-L76 HydrophobicContact CZ-CB 4.24Å; F72-L76 HydrophobicContact CZ-CD1 4.13Å; F72-L76 HydrophobicContact CZ-CD2 3.73Å; F72-L76 HydrophobicContact CZ-CG 4.23Å; F72-L76 WeakPolarHBondContact O-CB 3.23Å; F72-L76 PolarHBondContact O-N 3.41Å
73	D	79.5	Confident	81.3	Confident	16 Å²	16	64.1 Å²	64.1	9%	0.086	29%	0.289	C	S	.	.	H	α-helix	trans	-60.7	-41.9	-176.5	-169.4	68.2	0	0	0	113.4	R13 L14 S15 Q71 K77	R13-D73 HydrophobicContact CB-CB 4.15Å; R13-D73 HydrophobicContact CG-CB 4.19Å; L14-D73 VanDerWaalsContact CA-OD1 3.28Å; L14-D73 WeakPolarHBondContact CA-OD1 3.47Å; L14-D73 VanDerWaalsContact CB-OD1 3.23Å; L14-D73 WeakPolarHBondContact CB-OD1 3.43Å; L14-D73 PolarHBondContact N-OD1 3.23Å; L14-D73 PolarHBondContact N-OD2 3.45Å; L14-D73 VanDerWaalsContact N-OD2 3.15Å; S15-D73 PolarHBondContact N-OD1 3.02Å; Q71-D73 VanDerWaalsContact C-N 3.32Å; Q71-D73 PolarHBondContact O-N 3.35Å; Q71-D73 VanDerWaalsContact O-N 3.16Å; D73-K77 WeakPolarHBondContact O-CG 3.48Å; D73-K77 PolarHBondContact O-N 2.91Å; D73-K77 VanDerWaalsContact O-N 3.07Å; D73-K77 VanDerWaalsContact OD2-CE 3.32Å; D73-K77 WeakPolarHBondContact OD2-CE 3.42Å; D73-K77 IonicContact OD2-NZ 3.26Å; D73-K77 PolarHBondContact OD2-NZ 3.03Å
74	R	82.2	Confident	81	Confident	181 Å²	181	65.4 Å²	65.4	68%	0.683	30%	0.303	S	S	*	.	H	α-helix	trans	-67.4	-42.8	179	-179.8	-176.8	174.3	-168.8	-2.8	110.7	Q71 F72 R78	Q71-R74 PolarHBondContact O-N 3.3Å; F72-R74 VanDerWaalsContact C-N 3.34Å; F72-R74 PolarHBondContact O-N 3.08Å; R74-R78 WeakPolarHBondContact O-CG 3.31Å; R74-R78 PolarHBondContact O-N 3.38Å
75	L	84.6	Confident	80.7	Confident	8 Å²	8	63 Å²	63	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-72.6	-40.7	-178.3	-62.8	174.1	0	0	0	111.4	I61 Q65 L66 Q71 F72 K77 R78 L79	I61-L75 HydrophobicContact CD1-CD2 3.9Å; I61-L75 HydrophobicContact CG1-CD2 3.98Å; I61-L75 HydrophobicContact CG2-CD1 4.1Å; I61-L75 HydrophobicContact CG2-CD2 4.31Å; Q65-L75 HydrophobicContact CB-CD1 3.63Å; Q65-L75 WeakPolarHBondContact O-CD1 3.11Å; L66-L75 HydrophobicContact CD2-CB 3.64Å; L66-L75 HydrophobicContact CD2-CD1 4.3Å; Q71-L75 HydrophobicContact CB-CD1 3.79Å; Q71-L75 HydrophobicContact CB-CG 4.36Å; Q71-L75 WeakPolarHBondContact O-CG 3.49Å; Q71-L75 PolarHBondContact O-N 2.89Å; F72-L75 PolarHBondContact O-N 3.03Å; L75-K77 VanDerWaalsContact C-N 3.35Å; L75-K77 PolarHBondContact O-N 3.44Å; L75-R78 WeakPolarHBondContact O-CB 3.41Å; L75-R78 PolarHBondContact O-N 3.31Å; L75-R78 VanDerWaalsContact O-N 3.14Å; L75-L79 WeakPolarHBondContact O-CG 3.29Å; L75-L79 PolarHBondContact O-N 3.11Å
76	L	81.7	Confident	80.3	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-57.8	-47.5	173.7	-178.1	67.7	0	0	0	110.6	W43 F72 R78 L79 I80	W43-L76 HydrophobicContact CD2-CD1 4.01Å; W43-L76 HydrophobicContact CG-CD1 4.14Å; W43-L76 HydrophobicContact CZ2-CD1 4.42Å; F72-L76 HydrophobicContact CE1-CD2 3.86Å; F72-L76 HydrophobicContact CE2-CB 4.23Å; F72-L76 HydrophobicContact CE2-CD1 4.32Å; F72-L76 HydrophobicContact CZ-CB 4.24Å; F72-L76 HydrophobicContact CZ-CD1 4.13Å; F72-L76 HydrophobicContact CZ-CD2 3.73Å; F72-L76 HydrophobicContact CZ-CG 4.23Å; F72-L76 WeakPolarHBondContact O-CB 3.23Å; F72-L76 PolarHBondContact O-N 3.41Å; L76-R78 VanDerWaalsContact C-N 3.34Å; L76-R78 PolarHBondContact O-N 3.16Å; L76-L79 PolarHBondContact O-N 2.99Å; L76-I80 HydrophobicContact CD1-CD1 3.91Å; L76-I80 HydrophobicContact CD1-CG1 4.15Å; L76-I80 HydrophobicContact CD2-CD1 4.22Å; L76-I80 HydrophobicContact CG-CD1 3.62Å; L76-I80 HydrophobicContact CG-CG1 4.27Å; L76-I80 WeakPolarHBondContact O-CB 3.4Å; L76-I80 WeakPolarHBondContact O-CD1 3.5Å; L76-I80 WeakPolarHBondContact O-CG1 3.48Å; L76-I80 PolarHBondContact O-N 3.25Å
77	K	81.8	Confident	80	Confident	72 Å²	72	64 Å²	64	31%	0.313	30%	0.297	S	S	.	.	H	α-helix	trans	-54.1	-49.5	173.4	-79.6	167.7	178.8	157.3	0	111.7	L14 D73 L75 F81	L14-K77 HydrophobicContact CB-CD 4.46Å; L14-K77 HydrophobicContact CB-CG 4.45Å; L14-K77 HydrophobicContact CD2-CD 4.31Å; L14-K77 HydrophobicContact CD2-CG 3.53Å; D73-K77 WeakPolarHBondContact O-CG 3.48Å; D73-K77 PolarHBondContact O-N 2.91Å; D73-K77 VanDerWaalsContact O-N 3.07Å; D73-K77 VanDerWaalsContact OD2-CE 3.32Å; D73-K77 WeakPolarHBondContact OD2-CE 3.42Å; D73-K77 IonicContact OD2-NZ 3.26Å; D73-K77 PolarHBondContact OD2-NZ 3.03Å; L75-K77 VanDerWaalsContact C-N 3.35Å; L75-K77 PolarHBondContact O-N 3.44Å; K77-F81 WeakPolarHBondContact O-CD2 3.42Å; K77-F81 PolarHBondContact O-N 3.45Å
78	R	82.8	Confident	79.8	Confident	96 Å²	96	65.2 Å²	65.2	36%	0.362	30%	0.302	S	S	.	.	H	α-helix	trans	-56.5	-54.2	178.2	-73.4	173.5	68.4	-171.2	3	110.4	E59 R74 L75 L76 I80 F81 L82	E59-R78 PolarHBondContact O-NH2 3.03Å; E59-R78 IonicContact OE2-CZ 2.7Å; E59-R78 IonicContact OE2-NE 2.68Å; E59-R78 PolarHBondContact OE2-NE 3.39Å; E59-R78 IonicContact OE2-NH2 2.93Å; E59-R78 PolarHBondContact OE2-NH2 3.28Å; R74-R78 WeakPolarHBondContact O-CG 3.31Å; R74-R78 PolarHBondContact O-N 3.38Å; L75-R78 WeakPolarHBondContact O-CB 3.41Å; L75-R78 PolarHBondContact O-N 3.31Å; L75-R78 VanDerWaalsContact O-N 3.14Å; L76-R78 VanDerWaalsContact C-N 3.34Å; L76-R78 PolarHBondContact O-N 3.16Å; R78-I80 PolarHBondContact O-N 3.01Å; R78-F81 PolarHBondContact O-N 3.17Å; R78-L82 WeakPolarHBondContact O-CG 3.4Å; R78-L82 PolarHBondContact O-N 3.45Å
79	L	82.2	Confident	79.5	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-41.9	-176.9	-69.4	172.5	0	0	0	113.3	L52 A55 M56 I61 L66 L75 L76 F81 L82 H86	L52-L79 HydrophobicContact CD1-CD1 4.45Å; A55-L79 HydrophobicContact CB-CD2 4.39Å; M56-L79 HydrophobicContact CG-CD1 4.25Å; M56-L79 HydrophobicContact CG-CD2 4.07Å; I61-L79 HydrophobicContact CD1-CD2 3.96Å; I61-L79 HydrophobicContact CD1-CG 4.06Å; L66-L79 HydrophobicContact CD1-CD1 3.93Å; L66-L79 HydrophobicContact CD2-CD1 3.83Å; L66-L79 HydrophobicContact CG-CD1 4.44Å; L75-L79 WeakPolarHBondContact O-CG 3.29Å; L75-L79 PolarHBondContact O-N 3.11Å; L76-L79 PolarHBondContact O-N 2.99Å; L79-F81 VanDerWaalsContact C-N 3.26Å; L79-F81 PolarHBondContact O-N 3.19Å; L79-L82 HydrophobicContact CD2-CD1 3.79Å; L79-L82 PolarHBondContact O-N 2.9Å; L79-H86 VanDerWaalsContact O-CB 3.23Å; L79-H86 WeakPolarHBondContact O-CB 3.26Å
80	I	81.6	Confident	79.7	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-60.2	-38.8	179	-70.3	167.5	0	0	0	111.3	L76 R78 L87 F90	L76-I80 HydrophobicContact CD1-CD1 3.91Å; L76-I80 HydrophobicContact CD1-CG1 4.15Å; L76-I80 HydrophobicContact CD2-CD1 4.22Å; L76-I80 HydrophobicContact CG-CD1 3.62Å; L76-I80 HydrophobicContact CG-CG1 4.27Å; L76-I80 WeakPolarHBondContact O-CB 3.4Å; L76-I80 WeakPolarHBondContact O-CD1 3.5Å; L76-I80 WeakPolarHBondContact O-CG1 3.48Å; L76-I80 PolarHBondContact O-N 3.25Å; R78-I80 PolarHBondContact O-N 3.01Å; I80-L87 HydrophobicContact CG2-CB 4.47Å; I80-L87 HydrophobicContact CG2-CD1 3.7Å; I80-L87 PolarHBondContact O-N 3.05Å; I80-F90 HydrophobicContact CD1-CB 4.18Å; I80-F90 HydrophobicContact CD1-CD1 3.79Å; I80-F90 HydrophobicContact CD1-CD2 3.32Å; I80-F90 HydrophobicContact CD1-CE1 4.01Å; I80-F90 HydrophobicContact CD1-CE2 3.58Å; I80-F90 HydrophobicContact CD1-CG 3.45Å; I80-F90 VanDerWaalsContact CD1-CG 3.45Å; I80-F90 HydrophobicContact CD1-CZ 3.93Å; I80-F90 HydrophobicContact CG1-CB 3.88Å; I80-F90 HydrophobicContact CG1-CD1 4.28Å; I80-F90 HydrophobicContact CG1-CD2 3.89Å; I80-F90 HydrophobicContact CG1-CG 3.72Å; I80-F90 HydrophobicContact CG2-CB 4.15Å; I80-F90 HydrophobicContact CG2-CD1 3.95Å; I80-F90 HydrophobicContact CG2-CG 4.11Å
81	F	79.2	Confident	79.6	Confident	149 Å²	149	62.5 Å²	62.5	65%	0.654	28%	0.283	S	S	*	.	H	α-helix	trans	-92	-2.7	-174.6	-68.1	-60.9	0	0	0	114.6	K77 R78 L79 S83	K77-F81 WeakPolarHBondContact O-CD2 3.42Å; K77-F81 PolarHBondContact O-N 3.45Å; R78-F81 PolarHBondContact O-N 3.17Å; L79-F81 VanDerWaalsContact C-N 3.26Å; L79-F81 PolarHBondContact O-N 3.19Å; F81-S83 VanDerWaalsContact C-N 3.27Å; F81-S83 PolarHBondContact O-N 3.27Å
82	L	78.7	Confident	79.5	Confident	64 Å²	64	65.5 Å²	65.5	34%	0.335	30%	0.295	S	S	.	.	S	Bend	trans	-59.6	-38.1	176	-76.3	173.4	0	0	0	112.8	A55 E59 R78 L79	A55-L82 HydrophobicContact CB-CD1 3.75Å; E59-L82 HydrophobicContact CG-CD1 3.76Å; E59-L82 HydrophobicContact CG-CD2 3.72Å; E59-L82 HydrophobicContact CG-CG 4.29Å; E59-L82 WeakPolarHBondContact OE1-CD2 3.46Å; R78-L82 WeakPolarHBondContact O-CG 3.4Å; R78-L82 PolarHBondContact O-N 3.45Å; L79-L82 HydrophobicContact CD2-CD1 3.79Å; L79-L82 PolarHBondContact O-N 2.9Å
83	S	74.4	Confident	79.2	Confident	35 Å²	35	65.9 Å²	65.9	25%	0.245	30%	0.298	C	S	.	.			trans	-153.3	156.4	179.3	83.2	0	0	0	0	113	F81 K85 H86 L87	F81-S83 VanDerWaalsContact C-N 3.27Å; F81-S83 PolarHBondContact O-N 3.27Å; S83-K85 PolarHBondContact O-N 3.04Å; S83-K85 VanDerWaalsContact O-N 3.08Å; S83-K85 WeakPolarHBondContact OG-CB 3.45Å; S83-K85 PolarHBondContact OG-N 2.85Å; S83-H86 PolarHBondContact O-N 3.47Å; S83-H86 VanDerWaalsContact O-N 3.09Å; S83-H86 PolarHBondContact OG-CD2 3.19Å; S83-H86 PolarHBondContact OG-N 2.78Å; S83-H86 PolarHBondContact OG-NE2 2.74Å; S83-L87 PolarHBondContact O-N 3.4Å; S83-L87 VanDerWaalsContact O-N 3.13Å
84	P	76.9	Confident	79	Confident	93 Å²	93	66.7 Å²	66.7	60%	0.604	30%	0.302	S	S	*	.	H	α-helix	trans	-57	-23.2	171.6	-24.7	34	0	0	0	113.7	R88	P84-R88 WeakPolarHBondContact O-CB 3.47Å; P84-R88 VanDerWaalsContact O-CG 3.31Å; P84-R88 WeakPolarHBondContact O-CG 3.45Å; P84-R88 PolarHBondContact O-N 3.33Å; P84-R88 VanDerWaalsContact O-N 3.11Å; P84-R88 PolarHBondContact O-NE 3.43Å; P84-R88 VanDerWaalsContact O-NE 3.16Å
85	K	79.1	Confident	78.8	Confident	85 Å²	85	66.7 Å²	66.7	37%	0.37	30%	0.302	S	S	.	.	H	α-helix	trans	-69.9	-46.7	176	-170.7	177.1	176	-178.9	0	110.5	D51 S83 R88 R89	D51-K85 IonicContact OD1-NZ 3.65Å; D51-K85 PolarHBondContact OD1-NZ 3.2Å; D51-K85 WeakPolarHBondContact OD2-CE 3.42Å; D51-K85 IonicContact OD2-NZ 2.59Å; D51-K85 PolarHBondContact OD2-NZ 2.87Å; S83-K85 PolarHBondContact O-N 3.04Å; S83-K85 VanDerWaalsContact O-N 3.08Å; S83-K85 WeakPolarHBondContact OG-CB 3.45Å; S83-K85 PolarHBondContact OG-N 2.85Å; K85-R88 PolarHBondContact O-N 3.1Å; K85-R89 VanDerWaalsContact CE-NH2 3.33Å; K85-R89 WeakPolarHBondContact O-CG 3.45Å; K85-R89 PolarHBondContact O-N 3.44Å
86	H	76.1	Confident	78.5	Confident	13 Å²	13	70 Å²	70	6%	0.06	32%	0.317	C	S	.	.	H	α-helix	trans	-66.4	-39.9	177.4	-58.8	-59.6	0	0	0	112.2	L79 S83 R88 R89 F90	L79-H86 VanDerWaalsContact O-CB 3.23Å; L79-H86 WeakPolarHBondContact O-CB 3.26Å; S83-H86 PolarHBondContact O-N 3.47Å; S83-H86 VanDerWaalsContact O-N 3.09Å; S83-H86 PolarHBondContact OG-CD2 3.19Å; S83-H86 PolarHBondContact OG-N 2.78Å; S83-H86 PolarHBondContact OG-NE2 2.74Å; H86-R88 PolarHBondContact O-N 2.91Å; H86-R89 WeakPolarHBondContact O-CB 3.25Å; H86-R89 PolarHBondContact O-N 3.26Å; H86-F90 WeakPolarHBondContact O-CB 3.19Å; H86-F90 PolarHBondContact O-N 3.44Å
87	L	76.5	Confident	78.2	Confident	70 Å²	70	71 Å²	71	37%	0.366	32%	0.321	S	S	.	.	H	α-helix	trans	-59.3	-45.5	173.5	-179.5	60.9	0	0	0	111.9	I80 S83 R89 F90 M91	I80-L87 HydrophobicContact CG2-CB 4.47Å; I80-L87 HydrophobicContact CG2-CD1 3.7Å; I80-L87 PolarHBondContact O-N 3.05Å; S83-L87 PolarHBondContact O-N 3.4Å; S83-L87 VanDerWaalsContact O-N 3.13Å; L87-R89 VanDerWaalsContact C-N 3.34Å; L87-R89 PolarHBondContact O-N 2.95Å; L87-F90 PolarHBondContact O-N 3.09Å; L87-M91 HydrophobicContact CD1-CG 4.45Å; L87-M91 VanDerWaalsContact O-CG 3.29Å; L87-M91 WeakPolarHBondContact O-CG 3.41Å; L87-M91 PolarHBondContact O-N 2.95Å
88	R	78.2	Confident	77.9	Confident	174 Å²	174	70.4 Å²	70.4	66%	0.657	32%	0.321	S	S	*	.	H	α-helix	trans	-62.1	-40.3	176.5	-79.6	-177.6	-73.4	-153.1	3	112.5	P84 K85 H86 M91 K92	P84-R88 WeakPolarHBondContact O-CB 3.47Å; P84-R88 VanDerWaalsContact O-CG 3.31Å; P84-R88 WeakPolarHBondContact O-CG 3.45Å; P84-R88 PolarHBondContact O-N 3.33Å; P84-R88 VanDerWaalsContact O-N 3.11Å; P84-R88 PolarHBondContact O-NE 3.43Å; P84-R88 VanDerWaalsContact O-NE 3.16Å; K85-R88 PolarHBondContact O-N 3.1Å; H86-R88 PolarHBondContact O-N 2.91Å; R88-M91 PolarHBondContact O-N 3.25Å; R88-K92 PolarHBondContact O-N 2.97Å
89	R	75.4	Confident	77.6	Confident	58 Å²	58	69.6 Å²	69.6	22%	0.219	32%	0.324	C	S	.	.	H	α-helix	trans	-60.7	-48.2	174.5	-73.9	175.6	177.2	-177.8	-2.9	111.1	W43 D49 D51 K85 H86 L87 M91 K92 V93	W43-R89 HydrophobicContact CH2-CB 4.36Å; D49-R89 VanDerWaalsContact CG-CZ 3.42Å; D49-R89 IonicContact OD1-CZ 2.95Å; D49-R89 VanDerWaalsContact OD1-CZ 3.26Å; D49-R89 IonicContact OD1-NH1 3.34Å; D49-R89 PolarHBondContact OD1-NH1 3.4Å; D49-R89 IonicContact OD1-NH2 2.65Å; D49-R89 PolarHBondContact OD1-NH2 3.26Å; D49-R89 IonicContact OD2-CZ 2.74Å; D49-R89 IonicContact OD2-NE 2.79Å; D49-R89 IonicContact OD2-NH1 3.8Å; D49-R89 PolarHBondContact OD2-NH1 2.84Å; D49-R89 VanDerWaalsContact OD2-NH1 3.09Å; D49-R89 IonicContact OD2-NH2 2.95Å; D49-R89 PolarHBondContact OD2-NH2 3.35Å; D51-R89 IonicContact OD2-CZ 3.18Å; D51-R89 IonicContact OD2-NH1 3.29Å; D51-R89 IonicContact OD2-NH2 3.34Å; D51-R89 PolarHBondContact OD2-NH2 2.9Å; K85-R89 VanDerWaalsContact CE-NH2 3.33Å; K85-R89 WeakPolarHBondContact O-CG 3.45Å; K85-R89 PolarHBondContact O-N 3.44Å; H86-R89 WeakPolarHBondContact O-CB 3.25Å; H86-R89 PolarHBondContact O-N 3.26Å; L87-R89 VanDerWaalsContact C-N 3.34Å; L87-R89 PolarHBondContact O-N 2.95Å; R89-M91 VanDerWaalsContact C-N 3.34Å; R89-M91 PolarHBondContact O-N 3.34Å; R89-K92 WeakPolarHBondContact O-CA 3.46Å; R89-K92 VanDerWaalsContact O-CB 3.3Å; R89-K92 WeakPolarHBondContact O-CB 3.26Å; R89-K92 PolarHBondContact O-N 3.14Å; R89-V93 PolarHBondContact O-N 3.07Å; R89-V93 VanDerWaalsContact O-N 3.08Å
90	F	78.6	Confident	77.2	Confident	16 Å²	16	73.7 Å²	73.7	7%	0.07	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-45.4	177	175.1	-105.7	0	0	0	112	I18 W43 I80 H86 L87 K92 V93 L94	I18-F90 HydrophobicContact CD1-CE1 4.41Å; I18-F90 HydrophobicContact CD1-CE2 3.86Å; I18-F90 HydrophobicContact CD1-CZ 3.32Å; I18-F90 HydrophobicContact CG1-CZ 4.1Å; W43-F90 HydrophobicContact CH2-CB 4.14Å; W43-F90 HydrophobicContact CZ3-CB 4.11Å; W43-F90 HydrophobicContact CZ3-CD2 4.37Å; I80-F90 HydrophobicContact CD1-CB 4.18Å; I80-F90 HydrophobicContact CD1-CD1 3.79Å; I80-F90 HydrophobicContact CD1-CD2 3.32Å; I80-F90 HydrophobicContact CD1-CE1 4.01Å; I80-F90 HydrophobicContact CD1-CE2 3.58Å; I80-F90 HydrophobicContact CD1-CG 3.45Å; I80-F90 VanDerWaalsContact CD1-CG 3.45Å; I80-F90 HydrophobicContact CD1-CZ 3.93Å; I80-F90 HydrophobicContact CG1-CB 3.88Å; I80-F90 HydrophobicContact CG1-CD1 4.28Å; I80-F90 HydrophobicContact CG1-CD2 3.89Å; I80-F90 HydrophobicContact CG1-CG 3.72Å; I80-F90 HydrophobicContact CG2-CB 4.15Å; I80-F90 HydrophobicContact CG2-CD1 3.95Å; I80-F90 HydrophobicContact CG2-CG 4.11Å; H86-F90 WeakPolarHBondContact O-CB 3.19Å; H86-F90 PolarHBondContact O-N 3.44Å; L87-F90 PolarHBondContact O-N 3.09Å; F90-K92 PolarHBondContact O-N 2.92Å; F90-V93 WeakPolarHBondContact O-CB 3.43Å; F90-V93 PolarHBondContact O-N 2.89Å; F90-V93 VanDerWaalsContact O-N 3.14Å; F90-L94 HydrophobicContact CD1-CD1 4.25Å; F90-L94 HydrophobicContact CD1-CG 4.44Å; F90-L94 HydrophobicContact CE1-CD1 3.55Å; F90-L94 HydrophobicContact CE1-CD2 4.27Å; F90-L94 HydrophobicContact CE1-CG 3.95Å; F90-L94 HydrophobicContact CE2-CD2 3.98Å; F90-L94 HydrophobicContact CE2-CG 4.29Å; F90-L94 HydrophobicContact CZ-CD1 3.77Å; F90-L94 HydrophobicContact CZ-CD2 3.63Å; F90-L94 HydrophobicContact CZ-CG 3.81Å; F90-L94 WeakPolarHBondContact O-CG 3.47Å; F90-L94 PolarHBondContact O-N 2.93Å
91	M	78.7	Confident	76.6	Confident	108 Å²	108	73.6 Å²	73.6	53%	0.532	35%	0.345	S	S	.	.	H	α-helix	trans	-60.7	-31.3	174.2	-68.8	-62.8	-68	0	0	113.4	L87 R88 R89 L94 R95	L87-M91 HydrophobicContact CD1-CG 4.45Å; L87-M91 VanDerWaalsContact O-CG 3.29Å; L87-M91 WeakPolarHBondContact O-CG 3.41Å; L87-M91 PolarHBondContact O-N 2.95Å; R88-M91 PolarHBondContact O-N 3.25Å; R89-M91 VanDerWaalsContact C-N 3.34Å; R89-M91 PolarHBondContact O-N 3.34Å; M91-L94 HydrophobicContact SD-CD1 3.99Å; M91-R95 PolarHBondContact O-N 2.93Å; M91-R95 VanDerWaalsContact O-N 3.09Å
92	K	80.2	Confident	76.4	Confident	133 Å²	133	69 Å²	69	58%	0.578	33%	0.325	S	S	*	.	H	α-helix	trans	-67.3	-45.8	174.1	-169.7	-173.2	175.1	-165.5	0	111.2	R88 R89 F90 L94 R95 E96	R88-K92 PolarHBondContact O-N 2.97Å; R89-K92 WeakPolarHBondContact O-CA 3.46Å; R89-K92 VanDerWaalsContact O-CB 3.3Å; R89-K92 WeakPolarHBondContact O-CB 3.26Å; R89-K92 PolarHBondContact O-N 3.14Å; F90-K92 PolarHBondContact O-N 2.92Å; K92-L94 VanDerWaalsContact C-N 3.3Å; K92-L94 PolarHBondContact O-N 3.45Å; K92-R95 WeakPolarHBondContact O-CB 3.44Å; K92-R95 PolarHBondContact O-N 3.31Å; K92-R95 VanDerWaalsContact O-N 3.07Å; K92-E96 VanDerWaalsContact CE-OE1 3.26Å; K92-E96 WeakPolarHBondContact CE-OE1 2.94Å; K92-E96 IonicContact NZ-OE1 3.97Å; K92-E96 PolarHBondContact O-N 3.2Å
93	V	75.5	Confident	76.2	Confident	10 Å²	10	74.7 Å²	74.7	6%	0.061	34%	0.342	C	S	.	.	H	α-helix	trans	-57.7	-44.5	174.7	175.6	0	0	0	0	110.6	L39 W43 R89 F90 R95 E96 W97	L39-V93 HydrophobicContact CD1-CG1 3.66Å; W43-V93 HydrophobicContact CE3-CG2 4.15Å; W43-V93 HydrophobicContact CZ3-CG2 4.14Å; R89-V93 PolarHBondContact O-N 3.07Å; R89-V93 VanDerWaalsContact O-N 3.08Å; F90-V93 WeakPolarHBondContact O-CB 3.43Å; F90-V93 PolarHBondContact O-N 2.89Å; F90-V93 VanDerWaalsContact O-N 3.14Å; V93-R95 VanDerWaalsContact C-N 3.29Å; V93-R95 PolarHBondContact O-N 3.47Å; V93-E96 PolarHBondContact O-N 3.08Å; V93-W97 WeakPolarHBondContact O-CB 3.5Å; V93-W97 VanDerWaalsContact O-CD1 3.24Å; V93-W97 PolarHBondContact O-N 2.9Å
94	L	76	Confident	76	Confident	33 Å²	33	77.6 Å²	77.6	17%	0.173	35%	0.354	C	S	.	.	H	α-helix	trans	-58.6	-40.5	175.4	-64.3	-169.1	0	0	0	112.9	I18 I22 F90 M91 K92 W97 N98	I18-L94 HydrophobicContact CB-CD2 4.42Å; I18-L94 HydrophobicContact CG1-CD2 4.39Å; I18-L94 HydrophobicContact CG2-CD2 3.22Å; I22-L94 HydrophobicContact CD1-CB 4.39Å; I22-L94 HydrophobicContact CD1-CD2 4Å; F90-L94 HydrophobicContact CD1-CD1 4.25Å; F90-L94 HydrophobicContact CD1-CG 4.44Å; F90-L94 HydrophobicContact CE1-CD1 3.55Å; F90-L94 HydrophobicContact CE1-CD2 4.27Å; F90-L94 HydrophobicContact CE1-CG 3.95Å; F90-L94 HydrophobicContact CE2-CD2 3.98Å; F90-L94 HydrophobicContact CE2-CG 4.29Å; F90-L94 HydrophobicContact CZ-CD1 3.77Å; F90-L94 HydrophobicContact CZ-CD2 3.63Å; F90-L94 HydrophobicContact CZ-CG 3.81Å; F90-L94 WeakPolarHBondContact O-CG 3.47Å; F90-L94 PolarHBondContact O-N 2.93Å; M91-L94 HydrophobicContact SD-CD1 3.99Å; K92-L94 VanDerWaalsContact C-N 3.3Å; K92-L94 PolarHBondContact O-N 3.45Å; L94-W97 PolarHBondContact O-N 3.32Å; L94-N98 WeakPolarHBondContact O-CB 3.39Å; L94-N98 PolarHBondContact O-N 3.33Å
95	R	77.9	Confident	75.5	Confident	181 Å²	181	79 Å²	79	68%	0.683	35%	0.347	S	S	*	.	H	α-helix	trans	-67.4	-43.3	178.4	-173.7	-179.5	-66.5	-169.5	-2.2	111.7	M91 K92 V93 W97 N98 N99	M91-R95 PolarHBondContact O-N 2.93Å; M91-R95 VanDerWaalsContact O-N 3.09Å; K92-R95 WeakPolarHBondContact O-CB 3.44Å; K92-R95 PolarHBondContact O-N 3.31Å; K92-R95 VanDerWaalsContact O-N 3.07Å; V93-R95 VanDerWaalsContact C-N 3.29Å; V93-R95 PolarHBondContact O-N 3.47Å; R95-W97 VanDerWaalsContact C-N 3.26Å; R95-W97 PolarHBondContact O-N 3.44Å; R95-N98 PolarHBondContact O-N 2.8Å; R95-N99 VanDerWaalsContact O-CG 3.23Å; R95-N99 PolarHBondContact O-N 3.48Å; R95-N99 PolarHBondContact O-ND2 2.79Å
96	E	77.7	Confident	75	Confident	78 Å²	78	82.9 Å²	82.9	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-60.6	-40.2	176.3	-72.2	174.1	-168.2	0	0	111.2	H42 K92 V93 N99 L100	H42-E96 IonicContact NE2-OE2 3.84Å; K92-E96 VanDerWaalsContact CE-OE1 3.26Å; K92-E96 WeakPolarHBondContact CE-OE1 2.94Å; K92-E96 IonicContact NZ-OE1 3.97Å; K92-E96 PolarHBondContact O-N 3.2Å; V93-E96 PolarHBondContact O-N 3.08Å; E96-N99 WeakPolarHBondContact O-CB 3.37Å; E96-N99 PolarHBondContact O-N 3.43Å; E96-L100 PolarHBondContact O-N 3.47Å
97	W	75.4	Confident	74.2	Confident	21 Å²	21	88 Å²	88	8%	0.08	42%	0.417	C	S	.	.	H	α-helix	trans	-66.7	-42.9	176	-84.6	43.8	0	0	0	113.4	I22 F23 S35 L38 L39 V93 L94 R95 N99 L100 S101	I22-W97 HydrophobicContact CD1-CB 4.01Å; F23-W97 AromaticContact CE2-CE3 3.99Å; F23-W97 HydrophobicContact CE2-CE3 3.99Å; F23-W97 HydrophobicContact CE2-CZ3 4.23Å; S35-W97 VanDerWaalsContact O-CH2 3.23Å; S35-W97 WeakPolarHBondContact O-CH2 3.35Å; S35-W97 WeakPolarHBondContact OG-CH2 3.4Å; S35-W97 WeakPolarHBondContact OG-CZ3 3.42Å; L38-W97 HydrophobicContact CB-CH2 4.15Å; L38-W97 HydrophobicContact CB-CZ2 4.14Å; L39-W97 HydrophobicContact CB-CH2 3.4Å; L39-W97 VanDerWaalsContact CB-CH2 3.4Å; L39-W97 HydrophobicContact CB-CZ2 3.69Å; L39-W97 HydrophobicContact CB-CZ3 4.02Å; L39-W97 HydrophobicContact CD1-CD2 4.22Å; L39-W97 HydrophobicContact CD1-CE3 4.43Å; L39-W97 HydrophobicContact CD1-CH2 4.14Å; L39-W97 HydrophobicContact CD1-CZ2 3.88Å; L39-W97 HydrophobicContact CD1-CZ3 4.37Å; L39-W97 HydrophobicContact CG-CH2 4.32Å; L39-W97 HydrophobicContact CG-CZ2 4.4Å; L39-W97 VanDerWaalsContact N-CH2 3.33Å; V93-W97 WeakPolarHBondContact O-CB 3.5Å; V93-W97 VanDerWaalsContact O-CD1 3.24Å; V93-W97 PolarHBondContact O-N 2.9Å; L94-W97 PolarHBondContact O-N 3.32Å; R95-W97 VanDerWaalsContact C-N 3.26Å; R95-W97 PolarHBondContact O-N 3.44Å; W97-N99 VanDerWaalsContact C-N 3.28Å; W97-N99 PolarHBondContact O-N 3.01Å; W97-L100 WeakPolarHBondContact O-CB 3.11Å; W97-L100 PolarHBondContact O-N 2.91Å; W97-S101 PolarHBondContact O-N 3.48Å
98	N	74.1	Confident	74.1	Confident	60 Å²	60	88.9 Å²	88.9	32%	0.321	42%	0.42	S	S	.	.	H	α-helix	trans	-62.6	-37.3	172.2	-178.1	68.4	0	0	0	111.6	I22 N26 L94 R95 L100 S101 Q102	I22-N98 HydrophobicContact CG2-CB 4.19Å; N26-N98 PolarHBondContact ND2-OD1 3.17Å; L94-N98 WeakPolarHBondContact O-CB 3.39Å; L94-N98 PolarHBondContact O-N 3.33Å; R95-N98 PolarHBondContact O-N 2.8Å; N98-L100 VanDerWaalsContact C-N 3.32Å; N98-L100 PolarHBondContact O-N 3.35Å; N98-S101 WeakPolarHBondContact CA-OG 2.98Å; N98-S101 PolarHBondContact O-N 3.08Å; N98-S101 PolarHBondContact O-OG 3.13Å; N98-Q102 WeakPolarHBondContact O-CG 3.5Å; N98-Q102 PolarHBondContact O-N 3.17Å; N98-Q102 VanDerWaalsContact O-N 3.08Å
99	N	76.6	Confident	73.9	Confident	78 Å²	78	84.4 Å²	84.4	42%	0.417	41%	0.407	S	S	.	.	H	α-helix	trans	-65.4	-38.9	174.7	-69	-17.4	0	0	0	111.6	R95 E96 W97 Q102 R103	R95-N99 VanDerWaalsContact O-CG 3.23Å; R95-N99 PolarHBondContact O-N 3.48Å; R95-N99 PolarHBondContact O-ND2 2.79Å; E96-N99 WeakPolarHBondContact O-CB 3.37Å; E96-N99 PolarHBondContact O-N 3.43Å; W97-N99 VanDerWaalsContact C-N 3.28Å; W97-N99 PolarHBondContact O-N 3.01Å; N99-Q102 PolarHBondContact O-N 3.44Å; N99-R103 WeakPolarHBondContact O-CG 3.35Å; N99-R103 PolarHBondContact O-N 3.08Å; N99-R103 VanDerWaalsContact O-N 3.08Å
100	L	73.8	Confident	73.8	Confident	86 Å²	86	85.9 Å²	85.9	45%	0.45	42%	0.418	S	S	.	.	H	α-helix	trans	-63.2	-43.3	174.6	-175.8	66.5	0	0	0	111.6	E96 W97 N98 Q102 R103 I104	E96-L100 PolarHBondContact O-N 3.47Å; W97-L100 WeakPolarHBondContact O-CB 3.11Å; W97-L100 PolarHBondContact O-N 2.91Å; N98-L100 VanDerWaalsContact C-N 3.32Å; N98-L100 PolarHBondContact O-N 3.35Å; L100-Q102 VanDerWaalsContact C-N 3.33Å; L100-Q102 PolarHBondContact O-N 3.31Å; L100-R103 PolarHBondContact O-N 3.25Å; L100-I104 HydrophobicContact CG-CD1 4.17Å; L100-I104 WeakPolarHBondContact O-CG1 3.42Å; L100-I104 PolarHBondContact O-N 3.34Å
101	S	70.7	Confident	73.5	Confident	0 Å²	0	90 Å²	90	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-62.5	-39.5	177.7	69.8	0	0	0	0	112.2	N26 W97 N98 I104 R105	N26-S101 PolarHBondContact ND2-OG 2.72Å; W97-S101 PolarHBondContact O-N 3.48Å; N98-S101 WeakPolarHBondContact CA-OG 2.98Å; N98-S101 PolarHBondContact O-N 3.08Å; N98-S101 PolarHBondContact O-OG 3.13Å; S101-I104 PolarHBondContact O-N 3.18Å; S101-R105 PolarHBondContact O-N 3Å
102	Q	74.2	Confident	73.2	Confident	52 Å²	52	88.9 Å²	88.9	24%	0.243	43%	0.432	C	S	.	.	H	α-helix	trans	-63.3	-42	173.6	-63.3	-53.5	-33.6	0	0	111.8	N26 N98 N99 L100 I104 R105 Y106	N26-Q102 VanDerWaalsContact CG-NE2 3.26Å; N26-Q102 PolarHBondContact ND2-NE2 3.16Å; N26-Q102 PolarHBondContact OD1-NE2 3.1Å; N98-Q102 WeakPolarHBondContact O-CG 3.5Å; N98-Q102 PolarHBondContact O-N 3.17Å; N98-Q102 VanDerWaalsContact O-N 3.08Å; N99-Q102 PolarHBondContact O-N 3.44Å; L100-Q102 VanDerWaalsContact C-N 3.33Å; L100-Q102 PolarHBondContact O-N 3.31Å; Q102-I104 PolarHBondContact O-N 3.04Å; Q102-R105 WeakPolarHBondContact O-CB 3.46Å; Q102-R105 PolarHBondContact O-N 3.12Å; Q102-R105 VanDerWaalsContact O-N 3.12Å; Q102-Y106 HydrophobicContact CB-CD2 4.47Å; Q102-Y106 VanDerWaalsContact O-CD2 3.26Å; Q102-Y106 WeakPolarHBondContact O-CD2 3.15Å; Q102-Y106 PolarHBondContact O-N 2.71Å; Q102-Y106 VanDerWaalsContact OE1-CE2 3.25Å
103	R	75.1	Confident	72.7	Confident	185 Å²	185	85.9 Å²	85.9	70%	0.698	42%	0.423	S	S	*	.	H	α-helix	trans	-62.5	-41.6	178	-73.3	176.8	-175.1	178.9	1.4	112.2	N99 L100 R105 Y106 G107	N99-R103 WeakPolarHBondContact O-CG 3.35Å; N99-R103 PolarHBondContact O-N 3.08Å; N99-R103 VanDerWaalsContact O-N 3.08Å; L100-R103 PolarHBondContact O-N 3.25Å; R103-R105 PolarHBondContact O-N 2.84Å; R103-Y106 PolarHBondContact O-N 3.43Å; R103-G107 WeakPolarHBondContact O-CA 3.26Å; R103-G107 PolarHBondContact O-N 3.4Å
104	I	70.1	Confident	72.6	Confident	96 Å²	96	91.4 Å²	91.4	49%	0.492	45%	0.449	S	S	.	.	H	α-helix	trans	-63.9	-29.8	175.8	-67	167.6	0	0	0	111.4	V28 L100 S101 Q102	V28-I104 HydrophobicContact CG1-CG2 4.19Å; L100-I104 HydrophobicContact CG-CD1 4.17Å; L100-I104 WeakPolarHBondContact O-CG1 3.42Å; L100-I104 PolarHBondContact O-N 3.34Å; S101-I104 PolarHBondContact O-N 3.18Å; Q102-I104 PolarHBondContact O-N 3.04Å
105	R	65.2	Low	72.3	Confident	122 Å²	122	95.8 Å²	95.8	46%	0.46	47%	0.47	S	S	.	.	H	α-helix	trans	-78.3	-36	-179.7	-173.6	-179.6	-178.7	-164.8	3.2	113.4	V28 S101 Q102 R103	V28-R105 HydrophobicContact CG2-CB 4.46Å; S101-R105 PolarHBondContact O-N 3Å; Q102-R105 WeakPolarHBondContact O-CB 3.46Å; Q102-R105 PolarHBondContact O-N 3.12Å; Q102-R105 VanDerWaalsContact O-N 3.12Å; R103-R105 PolarHBondContact O-N 2.84Å
106	Y	69.6	Low	71.8	Confident	166 Å²	166	88.8 Å²	88.8	65%	0.651	45%	0.452	S	S	*	.	H	α-helix	trans	-114.5	-8.1	-170.1	-64.2	-66.2	0	0	0	115	Q102 R103	Q102-Y106 HydrophobicContact CB-CD2 4.47Å; Q102-Y106 VanDerWaalsContact O-CD2 3.26Å; Q102-Y106 WeakPolarHBondContact O-CD2 3.15Å; Q102-Y106 PolarHBondContact O-N 2.71Å; Q102-Y106 VanDerWaalsContact OE1-CE2 3.25Å; R103-Y106 PolarHBondContact O-N 3.43Å
107	G	59.4	Low	71.3	Confident	121 Å²	121	89.7 Å²	89.7	100%	1.247	46%	0.46	S	S	*	.			trans	-98.9	0	173.2	0	0	0	0	0	110.8	R103	R103-G107 WeakPolarHBondContact O-CA 3.26Å; R103-G107 PolarHBondContact O-N 3.4Å

Retrieved 107 of 107 residues in 441.5 ms (Link to these results)

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