A0A3Q0KLE5_SCHMA Loading...

Putative smile protein

AlphaFold DB , UniProt , Accession A0A3Q0KLE5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 115 aa.

						>A0A3Q0KLE5_SCHMA|A0A3Q0KLE5
MVDYEIRLWCVVRPSHIKSYLLLGDIELTEKANIKLAKQYFEEALKLDPKNIQAKHNLCVALADEDKLEQSESCLLEAIAMEPKPQNHLLQHLEIIRGRLHSRGRHTYTKLKNVN
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.5	Low	58.3	Low	210 Å²	210	110.5 Å²	110.5	100%	1.034	53%	0.531	S	S	*	.				0	-38.8	0	-67.3	-160.9	-62.9	0	0	112.3	D3 Y4	M1-D3 VanDerWaalsContact C-N 3.29Å; M1-D3 PolarHBondContact O-N 3.15Å; M1-Y4 PolarHBondContact O-N 3.3Å
2	V	58.6	Low	57.9	Low	104 Å²	104	110 Å²	110	63%	0.63	54%	0.54	S	S	*	.	H	α-helix	trans	-54.1	-37.9	174.3	-91.4	0	0	0	0	114.7	Y4 E5 I6	V2-Y4 VanDerWaalsContact C-N 3.31Å; V2-Y4 PolarHBondContact O-N 3.29Å; V2-E5 PolarHBondContact O-N 3.48Å; V2-I6 HydrophobicContact CB-CD1 4.33Å; V2-I6 WeakPolarHBondContact O-CD1 3.39Å; V2-I6 VanDerWaalsContact O-CG1 3.23Å; V2-I6 WeakPolarHBondContact O-CG1 3.37Å; V2-I6 PolarHBondContact O-N 3.46Å; V2-I6 VanDerWaalsContact O-N 3.12Å
3	D	66.3	Low	57.5	Low	49 Å²	49	112.2 Å²	112.2	26%	0.262	54%	0.538	S	S	.	.	H	α-helix	trans	-62.7	-33.2	-175.1	-131.6	33.1	0	0	0	113.7	M1 R7 K31	M1-D3 VanDerWaalsContact C-N 3.29Å; M1-D3 PolarHBondContact O-N 3.15Å; D3-R7 WeakPolarHBondContact O-CB 3.43Å; D3-R7 VanDerWaalsContact O-CG 3.29Å; D3-R7 WeakPolarHBondContact O-CG 3.46Å; D3-R7 PolarHBondContact O-N 3.37Å; D3-R7 VanDerWaalsContact O-N 3.16Å; D3-K31 VanDerWaalsContact CG-NZ 3.35Å; D3-K31 IonicContact OD1-NZ 3.94Å; D3-K31 PolarHBondContact OD1-NZ 3.01Å; D3-K31 VanDerWaalsContact OD1-NZ 3.15Å; D3-K31 WeakPolarHBondContact OD2-CE 3.39Å; D3-K31 IonicContact OD2-NZ 3.61Å; D3-K31 PolarHBondContact OD2-NZ 3.14Å
4	Y	68.9	Low	57	Low	173 Å²	173	110.9 Å²	110.9	68%	0.678	54%	0.544	S	S	*	.	H	α-helix	trans	-78.8	-43.8	-177.7	-165	-89.8	0	0	0	112.1	M1 V2 I6 R7 L8	M1-Y4 PolarHBondContact O-N 3.3Å; V2-Y4 VanDerWaalsContact C-N 3.31Å; V2-Y4 PolarHBondContact O-N 3.29Å; Y4-I6 VanDerWaalsContact C-N 3.31Å; Y4-I6 PolarHBondContact O-N 3.06Å; Y4-R7 PolarHBondContact O-N 3.13Å; Y4-L8 PolarHBondContact O-N 3.08Å
5	E	59.4	Low	57.1	Low	146 Å²	146	109.9 Å²	109.9	68%	0.682	55%	0.552	S	S	*	*	H	α-helix	trans	-61.8	-41.7	176.4	-75.3	-178.3	157.3	0	0	111	V2 L8 W9	V2-E5 PolarHBondContact O-N 3.48Å; E5-L8 PolarHBondContact O-N 3.36Å; E5-W9 WeakPolarHBondContact O-CB 3.29Å; E5-W9 PolarHBondContact O-N 2.97Å
6	I	59.8	Low	58.3	Low	38 Å²	38	106.9 Å²	106.9	20%	0.195	54%	0.535	C	S	.	.	H	α-helix	trans	-63.6	-46.1	177	-64.7	166.7	0	0	0	110.4	V2 Y4 L8 W9 C10 L22 L23 I26	V2-I6 HydrophobicContact CB-CD1 4.33Å; V2-I6 WeakPolarHBondContact O-CD1 3.39Å; V2-I6 VanDerWaalsContact O-CG1 3.23Å; V2-I6 WeakPolarHBondContact O-CG1 3.37Å; V2-I6 PolarHBondContact O-N 3.46Å; V2-I6 VanDerWaalsContact O-N 3.12Å; Y4-I6 VanDerWaalsContact C-N 3.31Å; Y4-I6 PolarHBondContact O-N 3.06Å; I6-L8 PolarHBondContact O-N 3.35Å; I6-W9 PolarHBondContact O-N 3.29Å; I6-C10 PolarHBondContact O-N 3.48Å; I6-C10 VanDerWaalsContact O-N 3.16Å; I6-C10 PolarHBondContact O-SG 3.46Å; I6-L22 HydrophobicContact CD1-CD2 4.35Å; I6-L22 HydrophobicContact CG2-CD2 4.28Å; I6-L23 HydrophobicContact CG2-CD2 3.81Å; I6-L23 HydrophobicContact CG2-CG 4.31Å; I6-I26 HydrophobicContact CD1-CD1 4.03Å
7	R	59.1	Low	60.1	Low	126 Å²	126	103 Å²	103	48%	0.475	52%	0.516	S	S	.	.	H	α-helix	trans	-59.2	-45.2	176.8	-79.8	-179.5	-174.2	-149.4	-0.1	112.3	D3 Y4 C10 V11	D3-R7 WeakPolarHBondContact O-CB 3.43Å; D3-R7 VanDerWaalsContact O-CG 3.29Å; D3-R7 WeakPolarHBondContact O-CG 3.46Å; D3-R7 PolarHBondContact O-N 3.37Å; D3-R7 VanDerWaalsContact O-N 3.16Å; Y4-R7 PolarHBondContact O-N 3.13Å; R7-C10 WeakPolarHBondContact O-CB 3.17Å; R7-C10 PolarHBondContact O-N 3.44Å; R7-V11 PolarHBondContact O-N 3.5Å
8	L	59	Low	61.8	Low	98 Å²	98	105.6 Å²	105.6	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-64.8	-41	179.5	-165.4	70.8	0	0	0	111.2	Y4 E5 I6 C10 V11 V12	Y4-L8 PolarHBondContact O-N 3.08Å; E5-L8 PolarHBondContact O-N 3.36Å; I6-L8 PolarHBondContact O-N 3.35Å; L8-C10 PolarHBondContact O-N 3.06Å; L8-V11 PolarHBondContact O-N 3.21Å; L8-V12 HydrophobicContact CG-CG2 4.46Å; L8-V12 VanDerWaalsContact O-CG2 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.38Å; L8-V12 PolarHBondContact O-N 3.2Å
9	W	52.9	Low	63.3	Low	129 Å²	129	100.7 Å²	100.7	49%	0.489	50%	0.501	S	S	.	.	H	α-helix	trans	-61.9	-32.5	178.3	-146.4	72.1	0	0	0	112.8	E5 I6 R13 H16	E5-W9 WeakPolarHBondContact O-CB 3.29Å; E5-W9 PolarHBondContact O-N 2.97Å; I6-W9 PolarHBondContact O-N 3.29Å; W9-R13 PolarHBondContact O-N 2.89Å; W9-H16 AromaticContact CZ3-CE1 3.89Å; W9-H16 AromaticContact CZ3-ND1 3.71Å
10	C	51.5	Low	64.8	Low	27 Å²	27	99 Å²	99	18%	0.182	49%	0.488	C	S	.	.	H	α-helix	trans	-68.7	-39.8	176	-61.5	0	0	0	0	112.9	I6 R7 L8 R13 S19 L23	I6-C10 PolarHBondContact O-N 3.48Å; I6-C10 VanDerWaalsContact O-N 3.16Å; I6-C10 PolarHBondContact O-SG 3.46Å; R7-C10 WeakPolarHBondContact O-CB 3.17Å; R7-C10 PolarHBondContact O-N 3.44Å; L8-C10 PolarHBondContact O-N 3.06Å; C10-R13 CarbonylContact O-C 3.58Å; C10-S19 VanDerWaalsContact SG-CB 3.53Å; C10-L23 HydrophobicContact CB-CD1 4.32Å; C10-L23 WeakPolarHBondContact SG-CD1 3.48Å
11	V	53.4	Low	66.3	Low	115 Å²	115	95.3 Å²	95.3	70%	0.697	47%	0.471	S	S	*	.	H	α-helix	trans	-71.2	-33.6	-179.4	179.7	0	0	0	0	111.2	R7 L8	R7-V11 PolarHBondContact O-N 3.5Å; L8-V11 PolarHBondContact O-N 3.21Å
12	V	53.1	Low	68.3	Low	105 Å²	105	89.2 Å²	89.2	64%	0.636	44%	0.442	S	S	*	.	H	α-helix	trans	-85	-17.2	-174.6	-171.2	0	0	0	0	112.6	L8	L8-V12 HydrophobicContact CG-CG2 4.46Å; L8-V12 VanDerWaalsContact O-CG2 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.38Å; L8-V12 PolarHBondContact O-N 3.2Å
13	R	52.7	Low	70	Confident	139 Å²	139	84.7 Å²	84.7	53%	0.525	41%	0.414	S	S	.	.			trans	-135.1	87	172.2	-70.6	-170.4	-171.8	148.7	0.5	111.9	W9 C10 S15	W9-R13 PolarHBondContact O-N 2.89Å; C10-R13 CarbonylContact O-C 3.58Å; R13-S15 PolarHBondContact O-N 3.5Å
14	P	50.8	Low	71.5	Confident	94 Å²	94	82.3 Å²	82.3	61%	0.61	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-7.9	-176.6	-22.1	32.8	0	0	0	115.7
15	S	59	Low	72.8	Confident	96 Å²	96	77.5 Å²	77.5	67%	0.671	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	10.8	-173.4	59.5	0	0	0	0	114.9	R13 I17	R13-S15 PolarHBondContact O-N 3.5Å; S15-I17 PolarHBondContact O-N 3.02Å
16	H	75.2	Confident	74.5	Confident	61 Å²	61	71.1 Å²	71.1	28%	0.282	36%	0.358	S	S	.	.			trans	-102.9	86.8	-169.4	-135.4	-114.3	0	0	0	111.5	W9 K18 S19 Y20	W9-H16 AromaticContact CZ3-CE1 3.89Å; W9-H16 AromaticContact CZ3-ND1 3.71Å; H16-K18 PolarHBondContact O-N 3.34Å; H16-K18 VanDerWaalsContact O-N 3.09Å; H16-S19 WeakPolarHBondContact CB-OG 3.26Å; H16-S19 PolarHBondContact ND1-OG 3.16Å; H16-S19 WeakPolarHBondContact O-CA 3.43Å; H16-S19 VanDerWaalsContact O-CB 3.26Å; H16-S19 WeakPolarHBondContact O-CB 3.41Å; H16-S19 PolarHBondContact O-N 3.46Å; H16-Y20 PolarHBondContact O-N 3.16Å
17	I	89.3	Confident	76.3	Confident	41 Å²	41	69.7 Å²	69.7	21%	0.21	35%	0.35	C	S	.	.	H	α-helix	trans	-44.4	-41.1	169.2	-66	158.4	0	0	0	110.9	S15 S19 Y20 L21 A44 L47 D48	S15-I17 PolarHBondContact O-N 3.02Å; I17-S19 PolarHBondContact O-N 2.76Å; I17-Y20 PolarHBondContact O-N 2.81Å; I17-L21 HydrophobicContact CG2-CD1 4.08Å; I17-L21 HydrophobicContact CG2-CG 4.42Å; I17-L21 WeakPolarHBondContact O-CG 3.1Å; I17-L21 PolarHBondContact O-N 3.01Å; I17-A44 HydrophobicContact CG2-CB 4.18Å; I17-L47 HydrophobicContact CD1-CB 4.36Å; I17-L47 HydrophobicContact CG1-CB 3.81Å; I17-L47 HydrophobicContact CG1-CD1 4.15Å; I17-D48 HydrophobicContact CD1-CB 3.48Å; I17-D48 VanDerWaalsContact CD1-CB 3.48Å; I17-D48 HydrophobicContact CG1-CB 4.38Å
18	K	90.2	Very high	78.1	Confident	150 Å²	150	64.3 Å²	64.3	65%	0.652	33%	0.331	S	S	*	.	H	α-helix	trans	-59.2	-32.6	176.9	-63.8	-178.7	178.1	-180	0	113.5	H16 L21 L22	H16-K18 PolarHBondContact O-N 3.34Å; H16-K18 VanDerWaalsContact O-N 3.09Å; K18-L21 PolarHBondContact O-N 3.09Å; K18-L22 WeakPolarHBondContact O-CB 3.44Å; K18-L22 PolarHBondContact O-N 3.36Å
19	S	91.1	Very high	79.9	Confident	12 Å²	12	63.9 Å²	63.9	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-71.7	-42.3	178.3	-63.4	0	0	0	0	111.6	C10 H16 I17 L21 L22 L23	C10-S19 VanDerWaalsContact SG-CB 3.53Å; H16-S19 WeakPolarHBondContact CB-OG 3.26Å; H16-S19 PolarHBondContact ND1-OG 3.16Å; H16-S19 WeakPolarHBondContact O-CA 3.43Å; H16-S19 VanDerWaalsContact O-CB 3.26Å; H16-S19 WeakPolarHBondContact O-CB 3.41Å; H16-S19 PolarHBondContact O-N 3.46Å; I17-S19 PolarHBondContact O-N 2.76Å; S19-L21 VanDerWaalsContact C-N 3.31Å; S19-L21 PolarHBondContact O-N 3.47Å; S19-L22 PolarHBondContact O-N 2.96Å; S19-L23 WeakPolarHBondContact O-CB 3.49Å; S19-L23 WeakPolarHBondContact O-CG 3.3Å; S19-L23 PolarHBondContact O-N 2.82Å
20	Y	94.3	Very high	81.9	Confident	66 Å²	66	64.7 Å²	64.7	26%	0.259	34%	0.342	S	S	.	.	H	α-helix	trans	-61.6	-40.3	171.5	-75.4	-67.2	0	0	0	111.8	H16 I17 G24 Y40 E43 L47	H16-Y20 PolarHBondContact O-N 3.16Å; I17-Y20 PolarHBondContact O-N 2.81Å; Y20-G24 PolarHBondContact O-N 2.93Å; Y20-Y40 AromaticContact CD1-CD1 3.89Å; Y20-Y40 HydrophobicContact CD1-CD1 3.89Å; Y20-Y40 HydrophobicContact CE1-CD1 4.3Å; Y20-Y40 WeakPolarHBondContact O-CB 3.48Å; Y20-E43 HydrophobicContact CD1-CB 3.7Å; Y20-E43 HydrophobicContact CD1-CG 4.46Å; Y20-E43 HydrophobicContact CE1-CB 3.61Å; Y20-E43 HydrophobicContact CE1-CG 4.05Å; Y20-E43 HydrophobicContact CE2-CB 4.45Å; Y20-E43 HydrophobicContact CG-CB 4.15Å; Y20-L47 HydrophobicContact CD2-CD1 3.84Å; Y20-L47 HydrophobicContact CE2-CD1 3.67Å
21	L	95.1	Very high	83.9	Confident	23 Å²	23	67 Å²	67	12%	0.12	35%	0.349	C	S	.	.	H	α-helix	trans	-62	-46.1	174.5	-68.9	172.3	0	0	0	112.3	I17 K18 S19 G24 D25 F41 A44 Q53 A54	I17-L21 HydrophobicContact CG2-CD1 4.08Å; I17-L21 HydrophobicContact CG2-CG 4.42Å; I17-L21 WeakPolarHBondContact O-CG 3.1Å; I17-L21 PolarHBondContact O-N 3.01Å; K18-L21 PolarHBondContact O-N 3.09Å; S19-L21 VanDerWaalsContact C-N 3.31Å; S19-L21 PolarHBondContact O-N 3.47Å; L21-G24 PolarHBondContact O-N 3.4Å; L21-D25 WeakPolarHBondContact O-CB 3.43Å; L21-D25 PolarHBondContact O-N 2.91Å; L21-F41 HydrophobicContact CD2-CD1 4.06Å; L21-F41 HydrophobicContact CD2-CE1 4.45Å; L21-A44 HydrophobicContact CD2-CB 4.3Å; L21-A44 HydrophobicContact CG-CB 4.44Å; L21-Q53 HydrophobicContact CD1-CB 4.25Å; L21-Q53 HydrophobicContact CD1-CG 4.1Å; L21-Q53 HydrophobicContact CD2-CG 4.44Å; L21-A54 HydrophobicContact CD2-CB 3.58Å
22	L	94.6	Very high	85.9	Confident	82 Å²	82	65.2 Å²	65.2	43%	0.429	35%	0.346	S	S	.	.	H	α-helix	trans	-65.1	-46.2	178.9	179.4	62.6	0	0	0	111.9	I6 K18 S19 G24 D25 I26	I6-L22 HydrophobicContact CD1-CD2 4.35Å; I6-L22 HydrophobicContact CG2-CD2 4.28Å; K18-L22 WeakPolarHBondContact O-CB 3.44Å; K18-L22 PolarHBondContact O-N 3.36Å; S19-L22 PolarHBondContact O-N 2.96Å; L22-G24 VanDerWaalsContact C-N 3.31Å; L22-G24 PolarHBondContact O-N 3.31Å; L22-D25 PolarHBondContact O-N 3Å; L22-I26 HydrophobicContact CD1-CD1 4.13Å; L22-I26 HydrophobicContact CD1-CG1 4.41Å; L22-I26 HydrophobicContact CG-CD1 3.99Å; L22-I26 WeakPolarHBondContact O-CG1 3.39Å; L22-I26 PolarHBondContact O-N 3.1Å
23	L	95	Very high	87.9	Confident	8 Å²	8	63.1 Å²	63.1	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-61.1	-42.6	176.4	-76.9	176.1	0	0	0	111.4	I6 C10 S19 D25 I26 E27 Y40	I6-L23 HydrophobicContact CG2-CD2 3.81Å; I6-L23 HydrophobicContact CG2-CG 4.31Å; C10-L23 HydrophobicContact CB-CD1 4.32Å; C10-L23 WeakPolarHBondContact SG-CD1 3.48Å; S19-L23 WeakPolarHBondContact O-CB 3.49Å; S19-L23 WeakPolarHBondContact O-CG 3.3Å; S19-L23 PolarHBondContact O-N 2.82Å; L23-D25 VanDerWaalsContact C-N 3.34Å; L23-I26 PolarHBondContact O-N 2.62Å; L23-E27 WeakPolarHBondContact O-CG 3.33Å; L23-E27 PolarHBondContact O-N 3.17Å; L23-Y40 HydrophobicContact CB-CD1 4.36Å; L23-Y40 HydrophobicContact CB-CD2 3.74Å; L23-Y40 HydrophobicContact CB-CE1 4.44Å; L23-Y40 HydrophobicContact CB-CE2 3.81Å; L23-Y40 HydrophobicContact CB-CG 4.02Å; L23-Y40 HydrophobicContact CD1-CD1 4.41Å; L23-Y40 HydrophobicContact CD1-CE1 4.01Å
24	G	96.8	Very high	90	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-41.7	176.2	0	0	0	0	0	112.5	Y20 L21 L22 E27 L28 A37 F41	Y20-G24 PolarHBondContact O-N 2.93Å; L21-G24 PolarHBondContact O-N 3.4Å; L22-G24 VanDerWaalsContact C-N 3.31Å; L22-G24 PolarHBondContact O-N 3.31Å; G24-E27 PolarHBondContact O-N 3.08Å; G24-L28 WeakPolarHBondContact O-CB 3.4Å; G24-L28 PolarHBondContact O-N 3.25Å; G24-A37 VanDerWaalsContact O-CB 3.3Å; G24-A37 WeakPolarHBondContact O-CB 3.37Å; G24-F41 VanDerWaalsContact CA-CE1 3.49Å; G24-F41 WeakPolarHBondContact O-CZ 3.25Å
25	D	96.4	Very high	92.1	Very high	71 Å²	71	61.4 Å²	61.4	38%	0.38	32%	0.319	S	S	.	.	H	α-helix	trans	-63.8	-44.3	177.5	-168.7	60.8	0	0	0	112.1	L21 L22 L23 L28 T29	L21-D25 WeakPolarHBondContact O-CB 3.43Å; L21-D25 PolarHBondContact O-N 2.91Å; L22-D25 PolarHBondContact O-N 3Å; L23-D25 VanDerWaalsContact C-N 3.34Å; D25-L28 PolarHBondContact O-N 3.15Å; D25-T29 WeakPolarHBondContact O-CB 3.45Å; D25-T29 WeakPolarHBondContact O-CG2 3.42Å; D25-T29 PolarHBondContact O-N 2.88Å; D25-T29 PolarHBondContact O-OG1 2.96Å
26	I	96	Very high	93.9	Very high	13 Å²	13	58.7 Å²	58.7	7%	0.067	30%	0.297	C	S	.	.	H	α-helix	trans	-62	-46.2	175.2	-69.1	166.4	0	0	0	111	I6 L22 L23 L28 E30 K31	I6-I26 HydrophobicContact CD1-CD1 4.03Å; L22-I26 HydrophobicContact CD1-CD1 4.13Å; L22-I26 HydrophobicContact CD1-CG1 4.41Å; L22-I26 HydrophobicContact CG-CD1 3.99Å; L22-I26 WeakPolarHBondContact O-CG1 3.39Å; L22-I26 PolarHBondContact O-N 3.1Å; L23-I26 PolarHBondContact O-N 2.62Å; I26-L28 VanDerWaalsContact C-N 3.28Å; I26-L28 PolarHBondContact O-N 3.34Å; I26-E30 HydrophobicContact CG2-CB 4.43Å; I26-E30 WeakPolarHBondContact O-CB 3.44Å; I26-E30 PolarHBondContact O-N 3.02Å; I26-K31 HydrophobicContact CG2-CD 4.4Å; I26-K31 PolarHBondContact O-N 3.11Å
27	E	97.7	Very high	94.9	Very high	7 Å²	7	55.8 Å²	55.8	3%	0.033	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-35.1	178.8	-70.2	-60.4	143.4	0	0	112	L23 G24 K31 A32 N33 L36 A37 Y40	L23-E27 WeakPolarHBondContact O-CG 3.33Å; L23-E27 PolarHBondContact O-N 3.17Å; G24-E27 PolarHBondContact O-N 3.08Å; E27-K31 CarbonylContact O-C 3.59Å; E27-K31 WeakPolarHBondContact OE1-CD 3.12Å; E27-K31 IonicContact OE1-NZ 3.66Å; E27-K31 PolarHBondContact OE1-NZ 2.81Å; E27-K31 WeakPolarHBondContact OE2-CD 3.34Å; E27-A32 PolarHBondContact O-N 2.97Å; E27-A32 VanDerWaalsContact O-N 3.17Å; E27-N33 HydrophobicContact CB-CB 4.42Å; E27-N33 PolarHBondContact O-N 3.14Å; E27-N33 WeakPolarHBondContact OE2-CB 3.32Å; E27-N33 PolarHBondContact OE2-ND2 3.03Å; E27-N33 VanDerWaalsContact OE2-ND2 3.16Å; E27-L36 HydrophobicContact CG-CB 4.36Å; E27-L36 HydrophobicContact CG-CD2 3.97Å; E27-L36 HydrophobicContact CG-CG 4.02Å; E27-A37 HydrophobicContact CB-CB 4.01Å; E27-Y40 HydrophobicContact CG-CD2 3.96Å; E27-Y40 HydrophobicContact CG-CE2 3.61Å
28	L	96.9	Very high	95.3	Very high	13 Å²	13	55.3 Å²	55.3	7%	0.068	28%	0.28	C	S	.	.	H	α-helix	trans	-73	-49.3	179.5	-170.1	63	0	0	0	111.9	G24 D25 I26 I34 A37 F41 V60 A61 D64	G24-L28 WeakPolarHBondContact O-CB 3.4Å; G24-L28 PolarHBondContact O-N 3.25Å; D25-L28 PolarHBondContact O-N 3.15Å; I26-L28 VanDerWaalsContact C-N 3.28Å; I26-L28 PolarHBondContact O-N 3.34Å; L28-I34 HydrophobicContact CD1-CB 4.37Å; L28-I34 HydrophobicContact CD1-CG1 3.94Å; L28-I34 HydrophobicContact CD1-CG2 4.35Å; L28-A37 HydrophobicContact CB-CB 3.76Å; L28-A37 HydrophobicContact CD1-CB 4.19Å; L28-F41 HydrophobicContact CD2-CE2 4.4Å; L28-V60 HydrophobicContact CD2-CG1 4.06Å; L28-A61 HydrophobicContact CD1-CB 3.96Å; L28-A61 HydrophobicContact CD2-CB 4.21Å; L28-D64 HydrophobicContact CD1-CB 4.29Å
29	T	95.3	Very high	95.7	Very high	90 Å²	90	52.6 Å²	52.6	55%	0.552	27%	0.27	S	S	*	.	H	α-helix	trans	-89.4	-44.6	-168.6	59.8	0	0	0	0	113.3	D25	D25-T29 WeakPolarHBondContact O-CB 3.45Å; D25-T29 WeakPolarHBondContact O-CG2 3.42Å; D25-T29 PolarHBondContact O-N 2.88Å; D25-T29 PolarHBondContact O-OG1 2.96Å
30	E	95	Very high	95.9	Very high	146 Å²	146	54.1 Å²	54.1	68%	0.682	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-37.1	-174.2	-58.8	-173	177.9	0	0	112.2	I26	I26-E30 HydrophobicContact CG2-CB 4.43Å; I26-E30 WeakPolarHBondContact O-CB 3.44Å; I26-E30 PolarHBondContact O-N 3.02Å
31	K	94.9	Very high	96	Very high	75 Å²	75	51 Å²	51	33%	0.326	26%	0.262	S	S	.	.	S	Bend	trans	-103.7	-7.6	-173.3	-65.5	166.5	176.6	159	0	113.6	D3 I26 E27 N33	D3-K31 VanDerWaalsContact CG-NZ 3.35Å; D3-K31 IonicContact OD1-NZ 3.94Å; D3-K31 PolarHBondContact OD1-NZ 3.01Å; D3-K31 VanDerWaalsContact OD1-NZ 3.15Å; D3-K31 WeakPolarHBondContact OD2-CE 3.39Å; D3-K31 IonicContact OD2-NZ 3.61Å; D3-K31 PolarHBondContact OD2-NZ 3.14Å; I26-K31 HydrophobicContact CG2-CD 4.4Å; I26-K31 PolarHBondContact O-N 3.11Å; E27-K31 CarbonylContact O-C 3.59Å; E27-K31 WeakPolarHBondContact OE1-CD 3.12Å; E27-K31 IonicContact OE1-NZ 3.66Å; E27-K31 PolarHBondContact OE1-NZ 2.81Å; E27-K31 WeakPolarHBondContact OE2-CD 3.34Å; K31-N33 HydrophobicContact CB-CB 4.28Å; K31-N33 PolarHBondContact O-N 3.49Å
32	A	93.5	Very high	96.1	Very high	77 Å²	77	53.9 Å²	53.9	64%	0.636	28%	0.275	S	S	*	.			trans	50.2	26	-174.5	0	0	0	0	0	113.5	E27 I34	E27-A32 PolarHBondContact O-N 2.97Å; E27-A32 VanDerWaalsContact O-N 3.17Å; A32-I34 VanDerWaalsContact C-N 3.32Å; A32-I34 PolarHBondContact O-N 3.25Å; A32-I34 VanDerWaalsContact O-N 3.16Å
33	N	95.9	Very high	96.1	Very high	62 Å²	62	53.1 Å²	53.1	33%	0.332	27%	0.269	S	S	.	.			trans	-92.4	69.4	-178.5	-173.1	-0.1	0	0	0	109.8	E27 K31 K35 L36 A37	E27-N33 HydrophobicContact CB-CB 4.42Å; E27-N33 PolarHBondContact O-N 3.14Å; E27-N33 WeakPolarHBondContact OE2-CB 3.32Å; E27-N33 PolarHBondContact OE2-ND2 3.03Å; E27-N33 VanDerWaalsContact OE2-ND2 3.16Å; K31-N33 HydrophobicContact CB-CB 4.28Å; K31-N33 PolarHBondContact O-N 3.49Å; N33-K35 PolarHBondContact O-N 3.09Å; N33-K35 VanDerWaalsContact O-N 3.14Å; N33-L36 HydrophobicContact CB-CB 4.43Å; N33-L36 VanDerWaalsContact CG-CB 3.49Å; N33-L36 VanDerWaalsContact ND2-CB 3.26Å; N33-L36 WeakPolarHBondContact ND2-CB 3.45Å; N33-L36 PolarHBondContact O-N 3.17Å; N33-L36 VanDerWaalsContact O-N 3.09Å; N33-L36 PolarHBondContact OD1-N 3.44Å; N33-A37 PolarHBondContact O-N 3.27Å
34	I	96.2	Very high	96.2	Very high	40 Å²	40	52.8 Å²	52.8	21%	0.205	27%	0.267	C	S	.	.	H	α-helix	trans	-54.3	-38.4	-174.7	-59.2	164.1	0	0	0	111.3	L28 A32 A37 K38 A61 D64 E65	L28-I34 HydrophobicContact CD1-CB 4.37Å; L28-I34 HydrophobicContact CD1-CG1 3.94Å; L28-I34 HydrophobicContact CD1-CG2 4.35Å; A32-I34 VanDerWaalsContact C-N 3.32Å; A32-I34 PolarHBondContact O-N 3.25Å; A32-I34 VanDerWaalsContact O-N 3.16Å; I34-A37 PolarHBondContact O-N 2.96Å; I34-K38 HydrophobicContact CG2-CD 4.07Å; I34-K38 HydrophobicContact CG2-CG 4.47Å; I34-K38 VanDerWaalsContact O-CG 3.25Å; I34-K38 WeakPolarHBondContact O-CG 3.46Å; I34-K38 PolarHBondContact O-N 3.04Å; I34-A61 HydrophobicContact CG2-CB 4.33Å; I34-A61 VanDerWaalsContact CG2-O 3.3Å; I34-A61 WeakPolarHBondContact CG2-O 3.3Å; I34-D64 HydrophobicContact CD1-CB 3.99Å; I34-D64 HydrophobicContact CG1-CB 4.29Å; I34-E65 HydrophobicContact CG2-CB 4.13Å; I34-E65 HydrophobicContact CG2-CG 4.41Å
35	K	96.1	Very high	96.1	Very high	156 Å²	156	54.1 Å²	54.1	68%	0.678	27%	0.274	S	S	*	.	H	α-helix	trans	-62.4	-47.4	-179.8	-174.9	179.5	178.1	-177.5	0	111.8	N33 Q39	N33-K35 PolarHBondContact O-N 3.09Å; N33-K35 VanDerWaalsContact O-N 3.14Å; K35-Q39 WeakPolarHBondContact O-CG 3.23Å; K35-Q39 PolarHBondContact O-N 2.78Å
36	L	95.7	Very high	96	Very high	39 Å²	39	57.5 Å²	57.5	20%	0.204	29%	0.286	C	S	.	.	H	α-helix	trans	-72.7	-35.5	-180	-173.1	56.5	0	0	0	111.6	E27 N33 K38 Q39 Y40	E27-L36 HydrophobicContact CG-CB 4.36Å; E27-L36 HydrophobicContact CG-CD2 3.97Å; E27-L36 HydrophobicContact CG-CG 4.02Å; N33-L36 HydrophobicContact CB-CB 4.43Å; N33-L36 VanDerWaalsContact CG-CB 3.49Å; N33-L36 VanDerWaalsContact ND2-CB 3.26Å; N33-L36 WeakPolarHBondContact ND2-CB 3.45Å; N33-L36 PolarHBondContact O-N 3.17Å; N33-L36 VanDerWaalsContact O-N 3.09Å; N33-L36 PolarHBondContact OD1-N 3.44Å; L36-K38 VanDerWaalsContact C-N 3.33Å; L36-K38 PolarHBondContact O-N 2.76Å; L36-Q39 HydrophobicContact CD1-CB 4.44Å; L36-Q39 VanDerWaalsContact CD1-OE1 3.29Å; L36-Q39 WeakPolarHBondContact O-CB 3.37Å; L36-Q39 PolarHBondContact O-N 3.12Å; L36-Y40 HydrophobicContact CD1-CE2 4.03Å; L36-Y40 HydrophobicContact CD2-CE2 4.03Å; L36-Y40 HydrophobicContact CG-CD2 4.12Å; L36-Y40 HydrophobicContact CG-CE2 3.62Å; L36-Y40 WeakPolarHBondContact O-CD2 3.5Å; L36-Y40 PolarHBondContact O-N 2.9Å
37	A	97.7	Very high	95.8	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-55.4	-49	172.9	0	0	0	0	0	111.8	G24 E27 L28 N33 I34 Q39 Y40 F41	G24-A37 VanDerWaalsContact O-CB 3.3Å; G24-A37 WeakPolarHBondContact O-CB 3.37Å; E27-A37 HydrophobicContact CB-CB 4.01Å; L28-A37 HydrophobicContact CB-CB 3.76Å; L28-A37 HydrophobicContact CD1-CB 4.19Å; N33-A37 PolarHBondContact O-N 3.27Å; I34-A37 PolarHBondContact O-N 2.96Å; A37-Q39 VanDerWaalsContact C-N 3.33Å; A37-Q39 PolarHBondContact O-N 3.14Å; A37-Y40 PolarHBondContact O-N 2.93Å; A37-Y40 VanDerWaalsContact O-N 3.17Å; A37-F41 HydrophobicContact CB-CE2 4.05Å; A37-F41 WeakPolarHBondContact O-CD2 3.31Å; A37-F41 WeakPolarHBondContact O-CG 3.45Å; A37-F41 PolarHBondContact O-N 3.31Å
38	K	97.9	Very high	95.6	Very high	32 Å²	32	63.1 Å²	63.1	14%	0.139	32%	0.316	C	S	.	.	H	α-helix	trans	-58.6	-43.5	176.1	-68.4	171	68.6	-177.2	0	112	I34 L36 Y40 F41 E42 L58 A61 E65	I34-K38 HydrophobicContact CG2-CD 4.07Å; I34-K38 HydrophobicContact CG2-CG 4.47Å; I34-K38 VanDerWaalsContact O-CG 3.25Å; I34-K38 WeakPolarHBondContact O-CG 3.46Å; I34-K38 PolarHBondContact O-N 3.04Å; L36-K38 VanDerWaalsContact C-N 3.33Å; L36-K38 PolarHBondContact O-N 2.76Å; K38-Y40 VanDerWaalsContact C-N 3.31Å; K38-Y40 PolarHBondContact O-N 3.15Å; K38-F41 PolarHBondContact O-N 3.43Å; K38-E42 WeakPolarHBondContact O-CB 3.41Å; K38-E42 VanDerWaalsContact O-CG 3.26Å; K38-E42 WeakPolarHBondContact O-CG 3.16Å; K38-E42 PolarHBondContact O-N 3.44Å; K38-L58 HydrophobicContact CB-CD1 3.93Å; K38-L58 HydrophobicContact CG-CD1 3.89Å; K38-A61 HydrophobicContact CD-CB 4.32Å; K38-A61 HydrophobicContact CG-CB 3.6Å; K38-E65 IonicContact NZ-OE2 3.6Å; K38-E65 PolarHBondContact NZ-OE2 3.29Å
39	Q	96.7	Very high	95.4	Very high	92 Å²	92	66.9 Å²	66.9	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-58.4	-44	176.7	-71.8	-179.2	-32.9	0	0	111.6	K35 L36 A37 E42 E43	K35-Q39 WeakPolarHBondContact O-CG 3.23Å; K35-Q39 PolarHBondContact O-N 2.78Å; L36-Q39 HydrophobicContact CD1-CB 4.44Å; L36-Q39 VanDerWaalsContact CD1-OE1 3.29Å; L36-Q39 WeakPolarHBondContact O-CB 3.37Å; L36-Q39 PolarHBondContact O-N 3.12Å; A37-Q39 VanDerWaalsContact C-N 3.33Å; A37-Q39 PolarHBondContact O-N 3.14Å; Q39-E42 PolarHBondContact O-N 2.88Å; Q39-E43 WeakPolarHBondContact O-CG 3.41Å; Q39-E43 PolarHBondContact O-N 3.37Å
40	Y	96.1	Very high	95.2	Very high	45 Å²	45	71 Å²	71	18%	0.176	35%	0.351	C	S	.	.	H	α-helix	trans	-64.9	-40.6	176.6	-69.3	-47.1	0	0	0	112.8	Y20 L23 E27 L36 A37 K38 E42 E43 A44	Y20-Y40 AromaticContact CD1-CD1 3.89Å; Y20-Y40 HydrophobicContact CD1-CD1 3.89Å; Y20-Y40 HydrophobicContact CE1-CD1 4.3Å; Y20-Y40 WeakPolarHBondContact O-CB 3.48Å; L23-Y40 HydrophobicContact CB-CD1 4.36Å; L23-Y40 HydrophobicContact CB-CD2 3.74Å; L23-Y40 HydrophobicContact CB-CE1 4.44Å; L23-Y40 HydrophobicContact CB-CE2 3.81Å; L23-Y40 HydrophobicContact CB-CG 4.02Å; L23-Y40 HydrophobicContact CD1-CD1 4.41Å; L23-Y40 HydrophobicContact CD1-CE1 4.01Å; E27-Y40 HydrophobicContact CG-CD2 3.96Å; E27-Y40 HydrophobicContact CG-CE2 3.61Å; L36-Y40 HydrophobicContact CD1-CE2 4.03Å; L36-Y40 HydrophobicContact CD2-CE2 4.03Å; L36-Y40 HydrophobicContact CG-CD2 4.12Å; L36-Y40 HydrophobicContact CG-CE2 3.62Å; L36-Y40 WeakPolarHBondContact O-CD2 3.5Å; L36-Y40 PolarHBondContact O-N 2.9Å; A37-Y40 PolarHBondContact O-N 2.93Å; A37-Y40 VanDerWaalsContact O-N 3.17Å; K38-Y40 VanDerWaalsContact C-N 3.31Å; K38-Y40 PolarHBondContact O-N 3.15Å; Y40-E42 VanDerWaalsContact C-N 3.34Å; Y40-E43 PolarHBondContact O-N 3.04Å; Y40-A44 PolarHBondContact O-N 3.31Å
41	F	97.1	Very high	95.1	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-66.6	-35.3	174.7	-56.6	-40.8	0	0	0	112.7	L21 G24 L28 A37 K38 A44 L45 N57 L58 A61	L21-F41 HydrophobicContact CD2-CD1 4.06Å; L21-F41 HydrophobicContact CD2-CE1 4.45Å; G24-F41 VanDerWaalsContact CA-CE1 3.49Å; G24-F41 WeakPolarHBondContact O-CZ 3.25Å; L28-F41 HydrophobicContact CD2-CE2 4.4Å; A37-F41 HydrophobicContact CB-CE2 4.05Å; A37-F41 WeakPolarHBondContact O-CD2 3.31Å; A37-F41 WeakPolarHBondContact O-CG 3.45Å; A37-F41 PolarHBondContact O-N 3.31Å; K38-F41 PolarHBondContact O-N 3.43Å; F41-A44 WeakPolarHBondContact O-CB 3.43Å; F41-A44 PolarHBondContact O-N 3.18Å; F41-L45 WeakPolarHBondContact O-CG 3.48Å; F41-L45 PolarHBondContact O-N 2.92Å; F41-N57 HydrophobicContact CD1-CB 3.72Å; F41-N57 HydrophobicContact CD2-CB 3.91Å; F41-N57 HydrophobicContact CE1-CB 3.52Å; F41-N57 WeakPolarHBondContact CE1-ND2 3.26Å; F41-N57 HydrophobicContact CE2-CB 3.73Å; F41-N57 HydrophobicContact CG-CB 3.92Å; F41-N57 HydrophobicContact CZ-CB 3.53Å; F41-L58 HydrophobicContact CB-CB 4.18Å; F41-L58 HydrophobicContact CB-CD1 4.43Å; F41-A61 HydrophobicContact CD2-CB 4.45Å; F41-A61 HydrophobicContact CE2-CB 4.29Å
42	E	96.7	Very high	95	Very high	84 Å²	84	63.2 Å²	63.2	39%	0.393	32%	0.317	S	S	.	.	H	α-helix	trans	-65.1	-41.1	173.5	-73.6	167.1	-177.5	0	0	111.6	K38 Q39 Y40 A44 L45 K46 L58	K38-E42 WeakPolarHBondContact O-CB 3.41Å; K38-E42 VanDerWaalsContact O-CG 3.26Å; K38-E42 WeakPolarHBondContact O-CG 3.16Å; K38-E42 PolarHBondContact O-N 3.44Å; Q39-E42 PolarHBondContact O-N 2.88Å; Y40-E42 VanDerWaalsContact C-N 3.34Å; E42-A44 VanDerWaalsContact C-N 3.35Å; E42-L45 PolarHBondContact O-N 3.47Å; E42-K46 WeakPolarHBondContact O-CG 3.3Å; E42-K46 PolarHBondContact O-N 2.73Å; E42-L58 HydrophobicContact CG-CD1 4.34Å
43	E	95.5	Very high	95	Very high	66 Å²	66	63.6 Å²	63.6	31%	0.308	31%	0.306	S	S	.	.	H	α-helix	trans	-63.5	-39.7	172.3	-68	-53.2	131.8	0	0	111.9	Y20 Q39 Y40 L45 K46 L47	Y20-E43 HydrophobicContact CD1-CB 3.7Å; Y20-E43 HydrophobicContact CD1-CG 4.46Å; Y20-E43 HydrophobicContact CE1-CB 3.61Å; Y20-E43 HydrophobicContact CE1-CG 4.05Å; Y20-E43 HydrophobicContact CE2-CB 4.45Å; Y20-E43 HydrophobicContact CG-CB 4.15Å; Q39-E43 WeakPolarHBondContact O-CG 3.41Å; Q39-E43 PolarHBondContact O-N 3.37Å; Y40-E43 PolarHBondContact O-N 3.04Å; E43-L45 VanDerWaalsContact C-N 3.32Å; E43-L45 PolarHBondContact O-N 2.87Å; E43-K46 PolarHBondContact O-N 3.27Å; E43-K46 IonicContact OE1-NZ 2.81Å; E43-K46 PolarHBondContact OE1-NZ 3.34Å; E43-K46 IonicContact OE2-NZ 3.02Å; E43-L47 PolarHBondContact O-N 2.92Å
44	A	95.3	Very high	94.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.6	-42.2	172.8	0	0	0	0	0	111.9	I17 L21 Y40 F41 E42 L47 D48 A54	I17-A44 HydrophobicContact CG2-CB 4.18Å; L21-A44 HydrophobicContact CD2-CB 4.3Å; L21-A44 HydrophobicContact CG-CB 4.44Å; Y40-A44 PolarHBondContact O-N 3.31Å; F41-A44 WeakPolarHBondContact O-CB 3.43Å; F41-A44 PolarHBondContact O-N 3.18Å; E42-A44 VanDerWaalsContact C-N 3.35Å; A44-L47 PolarHBondContact O-N 3.05Å; A44-D48 PolarHBondContact O-N 2.93Å; A44-A54 HydrophobicContact CB-CB 3.78Å
45	L	95.3	Very high	95	Very high	29 Å²	29	60.3 Å²	60.3	15%	0.152	29%	0.287	C	S	.	.	H	α-helix	trans	-72.5	-26.1	177.4	-73.2	169.8	0	0	0	113.5	F41 E42 E43 L47 D48 P49 A54 K55 L58	F41-L45 WeakPolarHBondContact O-CG 3.48Å; F41-L45 PolarHBondContact O-N 2.92Å; E42-L45 PolarHBondContact O-N 3.47Å; E43-L45 VanDerWaalsContact C-N 3.32Å; E43-L45 PolarHBondContact O-N 2.87Å; L45-L47 VanDerWaalsContact C-N 3.32Å; L45-D48 CarbonylContact O-C 3.26Å; L45-D48 VanDerWaalsContact O-C 3.26Å; L45-P49 WeakPolarHBondContact O-CA 3.35Å; L45-P49 WeakPolarHBondContact O-CD 3.42Å; L45-P49 WeakPolarHBondContact O-CG 3.44Å; L45-A54 HydrophobicContact CD2-CB 3.84Å; L45-A54 HydrophobicContact CG-CB 3.8Å; L45-K55 HydrophobicContact CD1-CD 4.37Å; L45-K55 HydrophobicContact CD2-CB 4.19Å; L45-L58 HydrophobicContact CD1-CD2 3.92Å
46	K	94.3	Very high	95	Very high	142 Å²	142	53.6 Å²	53.6	62%	0.617	26%	0.258	S	S	*	.	H	α-helix	trans	-66.3	-37.4	170.2	-73.9	172.9	-172.6	172.3	0	111.5	E42 E43	E42-K46 WeakPolarHBondContact O-CG 3.3Å; E42-K46 PolarHBondContact O-N 2.73Å; E43-K46 PolarHBondContact O-N 3.27Å; E43-K46 IonicContact OE1-NZ 2.81Å; E43-K46 PolarHBondContact OE1-NZ 3.34Å; E43-K46 IonicContact OE2-NZ 3.02Å
47	L	92.4	Very high	95	Very high	87 Å²	87	52.6 Å²	52.6	46%	0.455	25%	0.253	S	S	.	.	H	α-helix	trans	-75.3	-39.6	177.2	-67.2	178.1	0	0	0	112.5	I17 Y20 E43 A44 L45	I17-L47 HydrophobicContact CD1-CB 4.36Å; I17-L47 HydrophobicContact CG1-CB 3.81Å; I17-L47 HydrophobicContact CG1-CD1 4.15Å; Y20-L47 HydrophobicContact CD2-CD1 3.84Å; Y20-L47 HydrophobicContact CE2-CD1 3.67Å; E43-L47 PolarHBondContact O-N 2.92Å; A44-L47 PolarHBondContact O-N 3.05Å; L45-L47 VanDerWaalsContact C-N 3.32Å
48	D	92.6	Very high	95	Very high	51 Å²	51	53.7 Å²	53.7	27%	0.273	26%	0.259	S	S	.	.			trans	-139.4	93.6	175.5	175.9	14.2	0	0	0	110.6	I17 A44 L45 K50 N51	I17-D48 HydrophobicContact CD1-CB 3.48Å; I17-D48 VanDerWaalsContact CD1-CB 3.48Å; I17-D48 HydrophobicContact CG1-CB 4.38Å; A44-D48 PolarHBondContact O-N 2.93Å; L45-D48 CarbonylContact O-C 3.26Å; L45-D48 VanDerWaalsContact O-C 3.26Å; D48-K50 PolarHBondContact O-N 3.19Å; D48-K50 PolarHBondContact OD1-N 3.24Å; D48-K50 VanDerWaalsContact OD1-N 3.09Å; D48-N51 HydrophobicContact CB-CB 3.99Å; D48-N51 VanDerWaalsContact O-CB 3.23Å; D48-N51 WeakPolarHBondContact O-CB 3.5Å; D48-N51 PolarHBondContact O-N 2.66Å; D48-N51 PolarHBondContact OD1-N 2.82Å; D48-N51 WeakPolarHBondContact OD2-CB 3.49Å; D48-N51 PolarHBondContact OD2-ND2 3.31Å; D48-N51 VanDerWaalsContact OD2-ND2 3.07Å
49	P	93.4	Very high	95	Very high	91 Å²	91	52.2 Å²	52.2	59%	0.591	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.3	-179.7	-25.4	34.5	0	0	0	114.6	L45	L45-P49 WeakPolarHBondContact O-CA 3.35Å; L45-P49 WeakPolarHBondContact O-CD 3.42Å; L45-P49 WeakPolarHBondContact O-CG 3.44Å
50	K	90.9	Very high	95	Very high	176 Å²	176	49.5 Å²	49.5	77%	0.765	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	8.9	178.8	-64.9	-175.9	178.1	-178.6	0	112.1	D48 I52	D48-K50 PolarHBondContact O-N 3.19Å; D48-K50 PolarHBondContact OD1-N 3.24Å; D48-K50 VanDerWaalsContact OD1-N 3.09Å; K50-I52 PolarHBondContact O-N 3.4Å
51	N	92.5	Very high	95.1	Very high	29 Å²	29	47.3 Å²	47.3	16%	0.155	23%	0.234	C	C	.	.			trans	-71.9	99.9	179.6	-158.8	-78.5	0	0	0	111.3	D48 Q53 A54 K55	D48-N51 HydrophobicContact CB-CB 3.99Å; D48-N51 VanDerWaalsContact O-CB 3.23Å; D48-N51 WeakPolarHBondContact O-CB 3.5Å; D48-N51 PolarHBondContact O-N 2.66Å; D48-N51 PolarHBondContact OD1-N 2.82Å; D48-N51 WeakPolarHBondContact OD2-CB 3.49Å; D48-N51 PolarHBondContact OD2-ND2 3.31Å; D48-N51 VanDerWaalsContact OD2-ND2 3.07Å; N51-Q53 VanDerWaalsContact C-N 3.27Å; N51-Q53 PolarHBondContact O-N 3.18Å; N51-Q53 PolarHBondContact OD1-N 3.2Å; N51-A54 HydrophobicContact CB-CB 3.92Å; N51-A54 PolarHBondContact O-N 3.4Å; N51-A54 PolarHBondContact OD1-N 3.42Å; N51-K55 PolarHBondContact O-N 3.02Å
52	I	92.7	Very high	95.1	Very high	29 Å²	29	48.2 Å²	48.2	15%	0.149	24%	0.238	C	C	.	.	H	α-helix	trans	-60.4	-37.8	-178.9	-56.4	-60.3	0	0	0	111.7	K50 K55 H56 M81 E82 L89	K50-I52 PolarHBondContact O-N 3.4Å; I52-K55 PolarHBondContact O-N 3.4Å; I52-H56 VanDerWaalsContact O-CB 3.23Å; I52-H56 WeakPolarHBondContact O-CB 3.4Å; I52-H56 PolarHBondContact O-N 2.93Å; I52-M81 HydrophobicContact CD1-CB 3.41Å; I52-M81 VanDerWaalsContact CD1-CB 3.41Å; I52-M81 HydrophobicContact CD1-CG 4.48Å; I52-M81 HydrophobicContact CD1-SD 4.39Å; I52-E82 HydrophobicContact CD1-CG 3.87Å; I52-E82 HydrophobicContact CG1-CG 3.98Å; I52-E82 HydrophobicContact CG2-CG 3.99Å; I52-L89 HydrophobicContact CG2-CD1 4.05Å
53	Q	93.3	Very high	95.1	Very high	85 Å²	85	44.5 Å²	44.5	40%	0.397	22%	0.222	S	C	.	.	H	α-helix	trans	-65.3	-44	179.5	-171.4	63.5	62.7	0	0	111.5	L21 N51 H56 N57	L21-Q53 HydrophobicContact CD1-CB 4.25Å; L21-Q53 HydrophobicContact CD1-CG 4.1Å; L21-Q53 HydrophobicContact CD2-CG 4.44Å; N51-Q53 VanDerWaalsContact C-N 3.27Å; N51-Q53 PolarHBondContact O-N 3.18Å; N51-Q53 PolarHBondContact OD1-N 3.2Å; Q53-H56 PolarHBondContact NE2-ND1 3.46Å; Q53-H56 PolarHBondContact O-N 3.41Å; Q53-N57 PolarHBondContact NE2-OD1 3.4Å; Q53-N57 WeakPolarHBondContact O-CB 3.4Å; Q53-N57 VanDerWaalsContact O-CG 3.29Å; Q53-N57 PolarHBondContact O-N 3.28Å; Q53-N57 PolarHBondContact O-OD1 2.95Å
54	A	95.5	Very high	95.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-42.6	176.5	0	0	0	0	0	111.8	L21 A44 L45 N51 N57 L58	L21-A54 HydrophobicContact CD2-CB 3.58Å; A44-A54 HydrophobicContact CB-CB 3.78Å; L45-A54 HydrophobicContact CD2-CB 3.84Å; L45-A54 HydrophobicContact CG-CB 3.8Å; N51-A54 HydrophobicContact CB-CB 3.92Å; N51-A54 PolarHBondContact O-N 3.4Å; N51-A54 PolarHBondContact OD1-N 3.42Å; A54-N57 PolarHBondContact O-N 2.93Å; A54-L58 WeakPolarHBondContact O-CB 3.33Å; A54-L58 PolarHBondContact O-N 2.73Å
55	K	96.4	Very high	95	Very high	33 Å²	33	48.9 Å²	48.9	14%	0.143	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-47.5	175.6	-172.7	70.2	173.8	-175.2	0	111.1	L45 N51 I52 L58 C59 E77 A78	L45-K55 HydrophobicContact CD1-CD 4.37Å; L45-K55 HydrophobicContact CD2-CB 4.19Å; N51-K55 PolarHBondContact O-N 3.02Å; I52-K55 PolarHBondContact O-N 3.4Å; K55-L58 WeakPolarHBondContact O-CB 3.48Å; K55-L58 PolarHBondContact O-N 3.17Å; K55-C59 PolarHBondContact O-N 2.92Å; K55-C59 PolarHBondContact O-SG 3.45Å; K55-E77 WeakPolarHBondContact CE-OE2 3.4Å; K55-E77 IonicContact NZ-OE2 3.28Å; K55-E77 PolarHBondContact NZ-OE2 2.95Å; K55-A78 HydrophobicContact CG-CB 3.83Å
56	H	96.4	Very high	94.9	Very high	15 Å²	15	51.4 Å²	51.4	7%	0.069	26%	0.258	C	S	.	.	H	α-helix	trans	-58.2	-49.1	177.2	171.9	-128.7	0	0	0	112.2	I52 Q53 L58 C59 V60 H88 L89 H92	I52-H56 VanDerWaalsContact O-CB 3.23Å; I52-H56 WeakPolarHBondContact O-CB 3.4Å; I52-H56 PolarHBondContact O-N 2.93Å; Q53-H56 PolarHBondContact NE2-ND1 3.46Å; Q53-H56 PolarHBondContact O-N 3.41Å; H56-L58 VanDerWaalsContact C-N 3.28Å; H56-L58 PolarHBondContact O-N 2.89Å; H56-C59 WeakPolarHBondContact O-CA 3.47Å; H56-C59 WeakPolarHBondContact O-CB 3.29Å; H56-C59 PolarHBondContact O-N 3.4Å; H56-V60 WeakPolarHBondContact O-CG2 3.4Å; H56-V60 PolarHBondContact O-N 2.97Å; H56-H88 AromaticContact CE1-ND1 3.85Å; H56-H88 AromaticContact NE2-ND1 3.98Å; H56-L89 HydrophobicContact CB-CD2 3.74Å; H56-L89 WeakPolarHBondContact CD2-CD2 3.41Å; H56-H92 AromaticContact CD2-ND1 3.89Å; H56-H92 AromaticContact CE1-CE1 3.75Å; H56-H92 AromaticContact CE1-ND1 3.85Å; H56-H92 AromaticContact NE2-CE1 3.31Å; H56-H92 PolarHBondContact NE2-CE1 3.19Å; H56-H92 VanDerWaalsContact NE2-CE1 3.31Å; H56-H92 AromaticContact NE2-CG 3.76Å; H56-H92 AromaticContact NE2-ND1 2.96Å; H56-H92 PolarHBondContact NE2-ND1 2.93Å
57	N	96.8	Very high	95	Very high	19 Å²	19	47.9 Å²	47.9	10%	0.102	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-37.2	178.6	-73.9	11.2	0	0	0	112	F41 Q53 A54 C59 V60 A61	F41-N57 HydrophobicContact CD1-CB 3.72Å; F41-N57 HydrophobicContact CD2-CB 3.91Å; F41-N57 HydrophobicContact CE1-CB 3.52Å; F41-N57 WeakPolarHBondContact CE1-ND2 3.26Å; F41-N57 HydrophobicContact CE2-CB 3.73Å; F41-N57 HydrophobicContact CG-CB 3.92Å; F41-N57 HydrophobicContact CZ-CB 3.53Å; Q53-N57 PolarHBondContact NE2-OD1 3.4Å; Q53-N57 WeakPolarHBondContact O-CB 3.4Å; Q53-N57 VanDerWaalsContact O-CG 3.29Å; Q53-N57 PolarHBondContact O-N 3.28Å; Q53-N57 PolarHBondContact O-OD1 2.95Å; A54-N57 PolarHBondContact O-N 2.93Å; N57-C59 VanDerWaalsContact C-N 3.33Å; N57-C59 PolarHBondContact O-N 2.95Å; N57-V60 PolarHBondContact O-N 2.97Å; N57-A61 PolarHBondContact O-N 3.35Å
58	L	97.7	Very high	95.2	Very high	22 Å²	22	43.9 Å²	43.9	12%	0.115	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-40.4	171.9	-175.5	66	0	0	0	111.7	K38 F41 E42 L45 A54 K55 H56 A61 L62	K38-L58 HydrophobicContact CB-CD1 3.93Å; K38-L58 HydrophobicContact CG-CD1 3.89Å; F41-L58 HydrophobicContact CB-CB 4.18Å; F41-L58 HydrophobicContact CB-CD1 4.43Å; E42-L58 HydrophobicContact CG-CD1 4.34Å; L45-L58 HydrophobicContact CD1-CD2 3.92Å; A54-L58 WeakPolarHBondContact O-CB 3.33Å; A54-L58 PolarHBondContact O-N 2.73Å; K55-L58 WeakPolarHBondContact O-CB 3.48Å; K55-L58 PolarHBondContact O-N 3.17Å; H56-L58 VanDerWaalsContact C-N 3.28Å; H56-L58 PolarHBondContact O-N 2.89Å; L58-A61 PolarHBondContact O-N 2.89Å; L58-L62 WeakPolarHBondContact O-CG 3.42Å; L58-L62 PolarHBondContact O-N 3.27Å
59	C	97.6	Very high	95.4	Very high	1 Å²	1	46 Å²	46	1%	0.007	23%	0.231	C	C	.	.	H	α-helix	trans	-65.8	-37	176.2	-49.4	0	0	0	0	112.6	K55 H56 N57 L62 A63 S71 C74 L75	K55-C59 PolarHBondContact O-N 2.92Å; K55-C59 PolarHBondContact O-SG 3.45Å; H56-C59 WeakPolarHBondContact O-CA 3.47Å; H56-C59 WeakPolarHBondContact O-CB 3.29Å; H56-C59 PolarHBondContact O-N 3.4Å; N57-C59 VanDerWaalsContact C-N 3.33Å; N57-C59 PolarHBondContact O-N 2.95Å; C59-L62 PolarHBondContact O-N 3.3Å; C59-A63 PolarHBondContact O-N 3.39Å; C59-S71 WeakPolarHBondContact O-CB 3.41Å; C59-S71 PolarHBondContact O-OG 2.93Å; C59-C74 WeakPolarHBondContact CA-SG 3.42Å; C59-C74 HydrophobicContact CB-CB 3.74Å; C59-C74 WeakPolarHBondContact CB-SG 3.38Å; C59-C74 WeakPolarHBondContact SG-CB 3.44Å; C59-C74 PolarHBondContact SG-O 2.9Å; C59-C74 CovalentContact SG-SG 2.05Å; C59-C74 PolarHBondContact SG-SG 3.1Å; C59-L75 HydrophobicContact CB-CD2 3.93Å; C59-L75 HydrophobicContact CB-CG 3.84Å; C59-L75 PolarHBondContact SG-N 2.05Å
60	V	97.2	Very high	95.6	Very high	35 Å²	35	46.9 Å²	46.9	21%	0.212	23%	0.227	C	C	.	.	H	α-helix	trans	-64.5	-46.2	173.5	176.9	0	0	0	0	110.2	L28 H56 N57 L62 A63 D64	L28-V60 HydrophobicContact CD2-CG1 4.06Å; H56-V60 WeakPolarHBondContact O-CG2 3.4Å; H56-V60 PolarHBondContact O-N 2.97Å; N57-V60 PolarHBondContact O-N 2.97Å; V60-L62 PolarHBondContact O-N 3.16Å; V60-A63 WeakPolarHBondContact O-CA 3.4Å; V60-A63 VanDerWaalsContact O-CB 3.31Å; V60-A63 WeakPolarHBondContact O-CB 3.46Å; V60-A63 PolarHBondContact O-N 2.95Å; V60-D64 PolarHBondContact O-N 3.46Å
61	A	97.7	Very high	95.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.9	-33.9	177	0	0	0	0	0	112.9	L28 I34 K38 F41 N57 L58 D64 E65	L28-A61 HydrophobicContact CD1-CB 3.96Å; L28-A61 HydrophobicContact CD2-CB 4.21Å; I34-A61 HydrophobicContact CG2-CB 4.33Å; I34-A61 VanDerWaalsContact CG2-O 3.3Å; I34-A61 WeakPolarHBondContact CG2-O 3.3Å; K38-A61 HydrophobicContact CD-CB 4.32Å; K38-A61 HydrophobicContact CG-CB 3.6Å; F41-A61 HydrophobicContact CD2-CB 4.45Å; F41-A61 HydrophobicContact CE2-CB 4.29Å; N57-A61 PolarHBondContact O-N 3.35Å; L58-A61 PolarHBondContact O-N 2.89Å; A61-D64 PolarHBondContact O-N 3.3Å; A61-E65 PolarHBondContact O-N 3.26Å; A61-E65 VanDerWaalsContact O-N 3.11Å
62	L	97.7	Very high	96.1	Very high	19 Å²	19	39.3 Å²	39.3	10%	0.099	19%	0.193	C	C	.	.	H	α-helix	trans	-66.3	-36.6	171.9	-71.1	168.6	0	0	0	112.6	L58 C59 V60 E65 K67 Q70 C74	L58-L62 WeakPolarHBondContact O-CG 3.42Å; L58-L62 PolarHBondContact O-N 3.27Å; C59-L62 PolarHBondContact O-N 3.3Å; V60-L62 PolarHBondContact O-N 3.16Å; L62-E65 PolarHBondContact O-N 3.4Å; L62-K67 HydrophobicContact CD2-CD 4.3Å; L62-K67 WeakPolarHBondContact O-CA 3.49Å; L62-K67 WeakPolarHBondContact O-CB 3.06Å; L62-K67 PolarHBondContact O-N 3.32Å; L62-Q70 HydrophobicContact CD1-CB 4.28Å; L62-Q70 HydrophobicContact CD2-CB 4.46Å; L62-C74 HydrophobicContact CD1-CB 4.03Å
63	A	96.3	Very high	96.3	Very high	5 Å²	5	40.9 Å²	40.9	4%	0.041	21%	0.207	C	C	.	.	H	α-helix	trans	-68.6	-35.6	176.7	0	0	0	0	0	112.8	C59 V60 E65 D66 I96 R99	C59-A63 PolarHBondContact O-N 3.39Å; V60-A63 WeakPolarHBondContact O-CA 3.4Å; V60-A63 VanDerWaalsContact O-CB 3.31Å; V60-A63 WeakPolarHBondContact O-CB 3.46Å; V60-A63 PolarHBondContact O-N 2.95Å; A63-E65 VanDerWaalsContact C-N 3.3Å; A63-D66 PolarHBondContact O-N 3.12Å; A63-D66 VanDerWaalsContact O-N 3.15Å; A63-I96 HydrophobicContact CB-CD1 3.39Å; A63-R99 PolarHBondContact O-NH1 3.46Å; A63-R99 VanDerWaalsContact O-NH1 3.14Å; A63-R99 PolarHBondContact O-NH2 2.98Å
64	D	94.8	Very high	96.5	Very high	85 Å²	85	37.2 Å²	37.2	46%	0.455	19%	0.19	S	C	.	.	H	α-helix	trans	-71.1	-27.9	174.9	-74.9	0.3	0	0	0	111.6	L28 I34 V60 A61 D66	L28-D64 HydrophobicContact CD1-CB 4.29Å; I34-D64 HydrophobicContact CD1-CB 3.99Å; I34-D64 HydrophobicContact CG1-CB 4.29Å; V60-D64 PolarHBondContact O-N 3.46Å; A61-D64 PolarHBondContact O-N 3.3Å; D64-D66 PolarHBondContact O-N 3.02Å
65	E	94.2	Very high	96.5	Very high	74 Å²	74	37.3 Å²	37.3	35%	0.346	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	6.9	169.7	-148.6	179.6	177.8	0	0	113.2	I34 K38 A61 L62 A63 K67	I34-E65 HydrophobicContact CG2-CB 4.13Å; I34-E65 HydrophobicContact CG2-CG 4.41Å; K38-E65 IonicContact NZ-OE2 3.6Å; K38-E65 PolarHBondContact NZ-OE2 3.29Å; A61-E65 PolarHBondContact O-N 3.26Å; A61-E65 VanDerWaalsContact O-N 3.11Å; L62-E65 PolarHBondContact O-N 3.4Å; A63-E65 VanDerWaalsContact C-N 3.3Å; E65-K67 HydrophobicContact CB-CD 4.41Å; E65-K67 HydrophobicContact CB-CG 4.18Å; E65-K67 HydrophobicContact CG-CD 4.3Å; E65-K67 HydrophobicContact CG-CG 4.37Å; E65-K67 PolarHBondContact O-N 3.46Å; E65-K67 VanDerWaalsContact O-N 3.1Å; E65-K67 WeakPolarHBondContact OE1-CE 3.42Å; E65-K67 IonicContact OE1-NZ 2.76Å; E65-K67 PolarHBondContact OE1-NZ 2.81Å; E65-K67 WeakPolarHBondContact OE2-CD 3.48Å; E65-K67 VanDerWaalsContact OE2-CE 3.29Å; E65-K67 WeakPolarHBondContact OE2-CE 3.47Å; E65-K67 IonicContact OE2-NZ 2.81Å; E65-K67 PolarHBondContact OE2-NZ 3Å
66	D	93.1	Very high	96.5	Very high	81 Å²	81	39.4 Å²	39.4	43%	0.433	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	19.2	-171.3	-156.8	52.6	0	0	0	114.8	A63 D64 L68 R99 R103	A63-D66 PolarHBondContact O-N 3.12Å; A63-D66 VanDerWaalsContact O-N 3.15Å; D64-D66 PolarHBondContact O-N 3.02Å; D66-L68 PolarHBondContact O-N 3.21Å; D66-R99 IonicContact OD1-NH2 3.84Å; D66-R99 PolarHBondContact OD1-NH2 3.37Å; D66-R103 IonicContact OD2-NH1 3.46Å; D66-R103 PolarHBondContact OD2-NH1 2.98Å
67	K	95.9	Very high	96.4	Very high	69 Å²	69	42.9 Å²	42.9	30%	0.3	22%	0.219	S	C	.	.			trans	-85.5	61.4	175.1	-62.5	-174.7	-177	160.3	0	110.3	L62 E65 E69 Q70 S71	L62-K67 HydrophobicContact CD2-CD 4.3Å; L62-K67 WeakPolarHBondContact O-CA 3.49Å; L62-K67 WeakPolarHBondContact O-CB 3.06Å; L62-K67 PolarHBondContact O-N 3.32Å; E65-K67 HydrophobicContact CB-CD 4.41Å; E65-K67 HydrophobicContact CB-CG 4.18Å; E65-K67 HydrophobicContact CG-CD 4.3Å; E65-K67 HydrophobicContact CG-CG 4.37Å; E65-K67 PolarHBondContact O-N 3.46Å; E65-K67 VanDerWaalsContact O-N 3.1Å; E65-K67 WeakPolarHBondContact OE1-CE 3.42Å; E65-K67 IonicContact OE1-NZ 2.76Å; E65-K67 PolarHBondContact OE1-NZ 2.81Å; E65-K67 WeakPolarHBondContact OE2-CD 3.48Å; E65-K67 VanDerWaalsContact OE2-CE 3.29Å; E65-K67 WeakPolarHBondContact OE2-CE 3.47Å; E65-K67 IonicContact OE2-NZ 2.81Å; E65-K67 PolarHBondContact OE2-NZ 3Å; K67-E69 PolarHBondContact O-N 3.36Å; K67-Q70 HydrophobicContact CB-CB 4.16Å; K67-Q70 HydrophobicContact CB-CG 4.37Å; K67-Q70 VanDerWaalsContact CD-OE1 3.29Å; K67-Q70 PolarHBondContact O-N 3.46Å; K67-Q70 VanDerWaalsContact O-N 3.12Å; K67-S71 PolarHBondContact O-N 3.46Å
68	L	96.4	Very high	96.3	Very high	3 Å²	3	42 Å²	42	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-40.5	-169.2	-64.8	175.4	0	0	0	113.8	D66 Q70 S71 E72 I96 R99 L100	D66-L68 PolarHBondContact O-N 3.21Å; L68-Q70 VanDerWaalsContact C-N 3.3Å; L68-Q70 PolarHBondContact O-N 3.27Å; L68-S71 PolarHBondContact O-N 2.7Å; L68-E72 PolarHBondContact O-N 3.36Å; L68-I96 HydrophobicContact CB-CG2 4.34Å; L68-I96 HydrophobicContact CD2-CD1 4.05Å; L68-I96 HydrophobicContact CD2-CG2 4.3Å; L68-I96 WeakPolarHBondContact O-CG2 3.36Å; L68-R99 HydrophobicContact CD1-CB 3.69Å; L68-R99 HydrophobicContact CD2-CB 4.24Å; L68-R99 VanDerWaalsContact CD2-NH2 3.35Å; L68-L100 HydrophobicContact CB-CD1 4.44Å; L68-L100 HydrophobicContact CB-CD2 3.45Å; L68-L100 VanDerWaalsContact CB-CD2 3.45Å; L68-L100 HydrophobicContact CB-CG 3.79Å; L68-L100 HydrophobicContact CD1-CD2 4.28Å; L68-L100 HydrophobicContact CD1-CG 4.44Å
69	E	96.2	Very high	96.1	Very high	96 Å²	96	42.3 Å²	42.3	45%	0.449	22%	0.216	S	C	.	.	H	α-helix	trans	-64	-37.7	177.1	-66.8	78	-171.3	0	0	111.7	K67 S73 L100 R103	K67-E69 PolarHBondContact O-N 3.36Å; E69-S73 PolarHBondContact O-N 2.95Å; E69-S73 VanDerWaalsContact O-N 3.14Å; E69-L100 VanDerWaalsContact CD-CD2 3.43Å; E69-L100 HydrophobicContact CG-CD2 3.91Å; E69-L100 WeakPolarHBondContact OE1-CD2 3.11Å; E69-R103 IonicContact OE1-CZ 3.9Å; E69-R103 IonicContact OE1-NE 2.66Å; E69-R103 IonicContact OE1-NH2 2.62Å; E69-R103 PolarHBondContact OE1-NH2 3.26Å; E69-R103 IonicContact OE2-CZ 3.15Å; E69-R103 IonicContact OE2-NH2 2.82Å; E69-R103 PolarHBondContact OE2-NH2 3.35Å
70	Q	97.4	Very high	95.8	Very high	108 Å²	108	46.3 Å²	46.3	51%	0.505	25%	0.249	S	C	.	.	H	α-helix	trans	-71.7	-38.8	176.6	-61.4	-176.6	-1.5	0	0	111.3	L62 K67 L68 E72 S73 C74	L62-Q70 HydrophobicContact CD1-CB 4.28Å; L62-Q70 HydrophobicContact CD2-CB 4.46Å; K67-Q70 HydrophobicContact CB-CB 4.16Å; K67-Q70 HydrophobicContact CB-CG 4.37Å; K67-Q70 VanDerWaalsContact CD-OE1 3.29Å; K67-Q70 PolarHBondContact O-N 3.46Å; K67-Q70 VanDerWaalsContact O-N 3.12Å; L68-Q70 VanDerWaalsContact C-N 3.3Å; L68-Q70 PolarHBondContact O-N 3.27Å; Q70-E72 VanDerWaalsContact C-N 3.35Å; Q70-S73 PolarHBondContact O-N 2.98Å; Q70-C74 VanDerWaalsContact O-CB 3.23Å; Q70-C74 WeakPolarHBondContact O-CB 3.39Å; Q70-C74 PolarHBondContact O-N 3.48Å
71	S	97.5	Very high	95.4	Very high	1 Å²	1	49 Å²	49	1%	0.007	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-42.2	174.5	-175.4	0	0	0	0	111.4	C59 K67 L68 C74 L75	C59-S71 WeakPolarHBondContact O-CB 3.41Å; C59-S71 PolarHBondContact O-OG 2.93Å; K67-S71 PolarHBondContact O-N 3.46Å; L68-S71 PolarHBondContact O-N 2.7Å; S71-C74 WeakPolarHBondContact O-CB 3.38Å; S71-C74 PolarHBondContact O-N 3.21Å; S71-L75 WeakPolarHBondContact O-CG 3.42Å; S71-L75 PolarHBondContact O-N 3.04Å
72	E	97.8	Very high	94.7	Very high	46 Å²	46	50.3 Å²	50.3	22%	0.215	27%	0.267	C	S	.	.	H	α-helix	trans	-59.4	-51.9	175.4	-176.5	175.9	-154.1	0	0	111.4	L68 Q70 C74 L75 L76 L93 I96 R97 L100	L68-E72 PolarHBondContact O-N 3.36Å; Q70-E72 VanDerWaalsContact C-N 3.35Å; E72-C74 VanDerWaalsContact C-N 3.28Å; E72-C74 PolarHBondContact O-N 3.31Å; E72-L75 PolarHBondContact O-N 3.29Å; E72-L76 HydrophobicContact CG-CD1 4.27Å; E72-L76 WeakPolarHBondContact O-CG 3.38Å; E72-L76 PolarHBondContact O-N 2.9Å; E72-L93 HydrophobicContact CG-CD1 3.73Å; E72-I96 HydrophobicContact CB-CG2 4.02Å; E72-R97 VanDerWaalsContact OE1-CG 3.3Å; E72-R97 WeakPolarHBondContact OE1-CG 3.48Å; E72-R97 IonicContact OE1-CZ 2.81Å; E72-R97 IonicContact OE1-NE 2.7Å; E72-R97 PolarHBondContact OE1-NE 3.5Å; E72-R97 IonicContact OE1-NH2 2.9Å; E72-L100 HydrophobicContact CB-CD1 4.23Å; E72-L100 VanDerWaalsContact OE2-CD1 3.32Å; E72-L100 WeakPolarHBondContact OE2-CD1 3.49Å
73	S	97.5	Very high	93.6	Very high	61 Å²	61	55.9 Å²	55.9	43%	0.427	30%	0.304	S	S	.	.	H	α-helix	trans	-57.8	-43.4	177	-169.1	0	0	0	0	111.6	E69 Q70 L75 L76 E77	E69-S73 PolarHBondContact O-N 2.95Å; E69-S73 VanDerWaalsContact O-N 3.14Å; Q70-S73 PolarHBondContact O-N 2.98Å; S73-L75 PolarHBondContact O-N 3.38Å; S73-L76 PolarHBondContact O-N 3Å; S73-E77 WeakPolarHBondContact O-CG 3.35Å; S73-E77 PolarHBondContact O-N 3.34Å
74	C	96.6	Very high	92.8	Very high	8 Å²	8	63.9 Å²	63.9	5%	0.054	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-42.9	178.6	-179.1	0	0	0	0	112.1	C59 L62 Q70 S71 E72 E77 A78	C59-C74 WeakPolarHBondContact CA-SG 3.42Å; C59-C74 HydrophobicContact CB-CB 3.74Å; C59-C74 WeakPolarHBondContact CB-SG 3.38Å; C59-C74 WeakPolarHBondContact SG-CB 3.44Å; C59-C74 PolarHBondContact SG-O 2.9Å; C59-C74 CovalentContact SG-SG 2.05Å; C59-C74 PolarHBondContact SG-SG 3.1Å; L62-C74 HydrophobicContact CD1-CB 4.03Å; Q70-C74 VanDerWaalsContact O-CB 3.23Å; Q70-C74 WeakPolarHBondContact O-CB 3.39Å; Q70-C74 PolarHBondContact O-N 3.48Å; S71-C74 WeakPolarHBondContact O-CB 3.38Å; S71-C74 PolarHBondContact O-N 3.21Å; E72-C74 VanDerWaalsContact C-N 3.28Å; E72-C74 PolarHBondContact O-N 3.31Å; C74-E77 WeakPolarHBondContact O-CB 3.41Å; C74-E77 PolarHBondContact O-N 3.49Å; C74-A78 PolarHBondContact O-N 3.16Å
75	L	96.5	Very high	91.7	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-66.8	-40	177.8	-76.6	167.2	0	0	0	111.6	C59 S71 E72 S73 E77 A78 I79 L89 H92 L93 I96	C59-L75 HydrophobicContact CB-CD2 3.93Å; C59-L75 HydrophobicContact CB-CG 3.84Å; C59-L75 PolarHBondContact SG-N 2.05Å; S71-L75 WeakPolarHBondContact O-CG 3.42Å; S71-L75 PolarHBondContact O-N 3.04Å; E72-L75 PolarHBondContact O-N 3.29Å; S73-L75 PolarHBondContact O-N 3.38Å; L75-E77 VanDerWaalsContact C-N 3.32Å; L75-E77 PolarHBondContact O-N 3.49Å; L75-A78 PolarHBondContact O-N 3.31Å; L75-I79 WeakPolarHBondContact O-CB 3.45Å; L75-I79 WeakPolarHBondContact O-CD1 3.23Å; L75-I79 VanDerWaalsContact O-CG1 3.22Å; L75-I79 WeakPolarHBondContact O-CG1 3.42Å; L75-I79 PolarHBondContact O-N 3.35Å; L75-L89 HydrophobicContact CD2-CD2 4.33Å; L75-H92 HydrophobicContact CD1-CB 4.12Å; L75-H92 HydrophobicContact CD2-CB 4.17Å; L75-L93 HydrophobicContact CB-CD1 4.2Å; L75-L93 HydrophobicContact CD1-CB 4.32Å; L75-I96 HydrophobicContact CD1-CG1 3.78Å
76	L	95.9	Very high	90.7	Very high	78 Å²	78	63.9 Å²	63.9	41%	0.408	34%	0.342	S	S	.	.	H	α-helix	trans	-61.1	-41.6	174.9	-70.5	170.9	0	0	0	111.6	E72 S73 A80 L93	E72-L76 HydrophobicContact CG-CD1 4.27Å; E72-L76 WeakPolarHBondContact O-CG 3.38Å; E72-L76 PolarHBondContact O-N 2.9Å; S73-L76 PolarHBondContact O-N 3Å; L76-A80 WeakPolarHBondContact O-CB 3.43Å; L76-A80 PolarHBondContact O-N 3.01Å; L76-L93 HydrophobicContact CD2-CD1 4.42Å; L76-L93 HydrophobicContact CD2-CD2 3.79Å; L76-L93 HydrophobicContact CG-CD1 4.36Å
77	E	94.2	Very high	90.2	Very high	87 Å²	87	65.3 Å²	65.3	41%	0.407	35%	0.35	S	S	.	.	H	α-helix	trans	-62.9	-45.9	172.8	-72	171.2	-152.9	0	0	111.9	K55 S73 C74 L75 I79 A80 M81	K55-E77 WeakPolarHBondContact CE-OE2 3.4Å; K55-E77 IonicContact NZ-OE2 3.28Å; K55-E77 PolarHBondContact NZ-OE2 2.95Å; S73-E77 WeakPolarHBondContact O-CG 3.35Å; S73-E77 PolarHBondContact O-N 3.34Å; C74-E77 WeakPolarHBondContact O-CB 3.41Å; C74-E77 PolarHBondContact O-N 3.49Å; L75-E77 VanDerWaalsContact C-N 3.32Å; L75-E77 PolarHBondContact O-N 3.49Å; E77-I79 VanDerWaalsContact C-N 3.32Å; E77-I79 PolarHBondContact O-N 3.31Å; E77-A80 PolarHBondContact O-N 2.99Å; E77-M81 WeakPolarHBondContact O-CG 3.26Å; E77-M81 PolarHBondContact O-N 3.25Å; E77-M81 VanDerWaalsContact O-N 3.16Å
78	A	93.7	Very high	89.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-59.9	-43.2	179	0	0	0	0	0	111.6	K55 C74 L75 A80 M81 L89	K55-A78 HydrophobicContact CG-CB 3.83Å; C74-A78 PolarHBondContact O-N 3.16Å; L75-A78 PolarHBondContact O-N 3.31Å; A78-A80 PolarHBondContact O-N 2.96Å; A78-M81 PolarHBondContact O-N 2.89Å; A78-L89 HydrophobicContact CB-CD1 4.11Å
79	I	93.7	Very high	89.6	Confident	29 Å²	29	64.5 Å²	64.5	15%	0.149	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-41.5	176.4	-72	163.1	0	0	0	111.1	L75 E77 M81 E82 P85 L89 L90 L93	L75-I79 WeakPolarHBondContact O-CB 3.45Å; L75-I79 WeakPolarHBondContact O-CD1 3.23Å; L75-I79 VanDerWaalsContact O-CG1 3.22Å; L75-I79 WeakPolarHBondContact O-CG1 3.42Å; L75-I79 PolarHBondContact O-N 3.35Å; E77-I79 VanDerWaalsContact C-N 3.32Å; E77-I79 PolarHBondContact O-N 3.31Å; I79-M81 PolarHBondContact O-N 3.25Å; I79-E82 PolarHBondContact O-N 3.24Å; I79-P85 HydrophobicContact CG2-CB 4.17Å; I79-L89 HydrophobicContact CD1-CB 4.17Å; I79-L89 HydrophobicContact CG1-CB 3.65Å; I79-L89 HydrophobicContact CG1-CD1 3.96Å; I79-L89 HydrophobicContact CG1-CG 4.47Å; I79-L90 HydrophobicContact CD1-CD2 3.91Å; I79-L93 HydrophobicContact CD1-CB 4.43Å; I79-L93 HydrophobicContact CD1-CD2 3.84Å
80	A	91.7	Very high	89.5	Confident	85 Å²	85	63.3 Å²	63.3	70%	0.702	34%	0.343	S	S	*	.	H	α-helix	trans	-68.4	-22	179.9	0	0	0	0	0	113.5	L76 E77 A78 E82	L76-A80 WeakPolarHBondContact O-CB 3.43Å; L76-A80 PolarHBondContact O-N 3.01Å; E77-A80 PolarHBondContact O-N 2.99Å; A78-A80 PolarHBondContact O-N 2.96Å; A80-E82 VanDerWaalsContact C-N 3.33Å
81	M	88	Confident	89.3	Confident	92 Å²	92	62.9 Å²	62.9	45%	0.453	34%	0.341	S	S	.	.	H	α-helix	trans	-78.2	-17.9	175.7	-68	176.4	-173.3	0	0	112.8	I52 E77 A78 I79	I52-M81 HydrophobicContact CD1-CB 3.41Å; I52-M81 VanDerWaalsContact CD1-CB 3.41Å; I52-M81 HydrophobicContact CD1-CG 4.48Å; I52-M81 HydrophobicContact CD1-SD 4.39Å; E77-M81 WeakPolarHBondContact O-CG 3.26Å; E77-M81 PolarHBondContact O-N 3.25Å; E77-M81 VanDerWaalsContact O-N 3.16Å; A78-M81 PolarHBondContact O-N 2.89Å; I79-M81 PolarHBondContact O-N 3.25Å
82	E	83	Confident	89.2	Confident	28 Å²	28	65.9 Å²	65.9	13%	0.131	36%	0.355	C	S	.	.			trans	-87.4	131.7	-178	-58.8	-152.1	102.5	0	0	112.3	I52 I79 A80 K84 Q86 L89	I52-E82 HydrophobicContact CD1-CG 3.87Å; I52-E82 HydrophobicContact CG1-CG 3.98Å; I52-E82 HydrophobicContact CG2-CG 3.99Å; I79-E82 PolarHBondContact O-N 3.24Å; A80-E82 VanDerWaalsContact C-N 3.33Å; E82-K84 PolarHBondContact O-N 2.96Å; E82-Q86 VanDerWaalsContact OE1-CG 3.32Å; E82-Q86 WeakPolarHBondContact OE1-CG 3.41Å; E82-Q86 PolarHBondContact OE1-NE2 2.8Å; E82-Q86 VanDerWaalsContact OE2-CB 3.28Å; E82-Q86 WeakPolarHBondContact OE2-CB 3.27Å; E82-Q86 VanDerWaalsContact OE2-CG 3.3Å; E82-Q86 WeakPolarHBondContact OE2-CG 3.43Å; E82-Q86 PolarHBondContact OE2-N 3.32Å; E82-L89 HydrophobicContact CG-CD1 4.32Å; E82-L89 VanDerWaalsContact OE2-CD1 3.27Å; E82-L89 WeakPolarHBondContact OE2-CD1 3.37Å
83	P	75.9	Confident	89.1	Confident	136 Å²	136	63.9 Å²	63.9	88%	0.883	35%	0.346	S	S	*	.	S	Bend	trans	-67.7	-21.8	172.6	27	-32.8	0	0	0	112.4
84	K	79.1	Confident	89	Confident	173 Å²	173	66.4 Å²	66.4	75%	0.752	35%	0.351	S	S	*	.	S	Bend	trans	-137.8	113.1	171.8	-69	-176.6	-177.9	178	0	107.4	E82 Q86	E82-K84 PolarHBondContact O-N 2.96Å; K84-Q86 PolarHBondContact O-N 3.43Å
85	P	71	Confident	89	Confident	78 Å²	78	71 Å²	71	51%	0.506	37%	0.373	S	S	.	.			trans	-60.9	122.9	-177.3	17.7	-25.5	0	0	0	110.4	I79 L90	I79-P85 HydrophobicContact CG2-CB 4.17Å; P85-L90 HydrophobicContact CB-CD1 4.35Å
86	Q	73.7	Confident	89	Confident	80 Å²	80	71.2 Å²	71.2	37%	0.374	38%	0.375	S	S	.	.			trans	-71.2	135.8	174.9	-70	-175.4	87.4	0	0	110.2	E82 K84 H88 L89	E82-Q86 VanDerWaalsContact OE1-CG 3.32Å; E82-Q86 WeakPolarHBondContact OE1-CG 3.41Å; E82-Q86 PolarHBondContact OE1-NE2 2.8Å; E82-Q86 VanDerWaalsContact OE2-CB 3.28Å; E82-Q86 WeakPolarHBondContact OE2-CB 3.27Å; E82-Q86 VanDerWaalsContact OE2-CG 3.3Å; E82-Q86 WeakPolarHBondContact OE2-CG 3.43Å; E82-Q86 PolarHBondContact OE2-N 3.32Å; K84-Q86 PolarHBondContact O-N 3.43Å; Q86-H88 WeakPolarHBondContact CB-NE2 3.42Å; Q86-H88 PolarHBondContact NE2-NE2 2.93Å; Q86-H88 PolarHBondContact O-N 3.03Å; Q86-H88 VanDerWaalsContact O-N 3.12Å; Q86-H88 PolarHBondContact OE1-NE2 3.2Å; Q86-L89 PolarHBondContact O-N 3.48Å; Q86-L89 VanDerWaalsContact O-N 3.14Å
87	N	81.6	Confident	89	Confident	111 Å²	111	72 Å²	72	59%	0.594	37%	0.372	S	S	*	.	H	α-helix	trans	-58.5	-29.9	-176.2	-163.8	4.5	0	0	0	112.4	L90 Q91	N87-L90 PolarHBondContact O-N 2.98Å; N87-Q91 PolarHBondContact ND2-NE2 3.48Å; N87-Q91 VanDerWaalsContact O-CG 3.23Å; N87-Q91 WeakPolarHBondContact O-CG 3.22Å; N87-Q91 PolarHBondContact O-N 3.34Å; N87-Q91 PolarHBondContact OD1-NE2 3.29Å; N87-Q91 VanDerWaalsContact OD1-NE2 3.14Å
88	H	87.6	Confident	89.1	Confident	56 Å²	56	69.6 Å²	69.6	26%	0.259	37%	0.371	S	S	.	.	H	α-helix	trans	-68.3	-36	179.5	67.9	78.5	0	0	0	113.3	H56 Q86 Q91 H92	H56-H88 AromaticContact CE1-ND1 3.85Å; H56-H88 AromaticContact NE2-ND1 3.98Å; Q86-H88 WeakPolarHBondContact CB-NE2 3.42Å; Q86-H88 PolarHBondContact NE2-NE2 2.93Å; Q86-H88 PolarHBondContact O-N 3.03Å; Q86-H88 VanDerWaalsContact O-N 3.12Å; Q86-H88 PolarHBondContact OE1-NE2 3.2Å; H88-Q91 PolarHBondContact O-N 3.47Å; H88-H92 PolarHBondContact O-N 2.98Å
89	L	92.8	Very high	89.1	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-66.2	-41.8	176.2	-63.4	-174.1	0	0	0	111.2	I52 H56 L75 A78 I79 E82 Q86 H92 L93	I52-L89 HydrophobicContact CG2-CD1 4.05Å; H56-L89 HydrophobicContact CB-CD2 3.74Å; H56-L89 WeakPolarHBondContact CD2-CD2 3.41Å; L75-L89 HydrophobicContact CD2-CD2 4.33Å; A78-L89 HydrophobicContact CB-CD1 4.11Å; I79-L89 HydrophobicContact CD1-CB 4.17Å; I79-L89 HydrophobicContact CG1-CB 3.65Å; I79-L89 HydrophobicContact CG1-CD1 3.96Å; I79-L89 HydrophobicContact CG1-CG 4.47Å; E82-L89 HydrophobicContact CG-CD1 4.32Å; E82-L89 VanDerWaalsContact OE2-CD1 3.27Å; E82-L89 WeakPolarHBondContact OE2-CD1 3.37Å; Q86-L89 PolarHBondContact O-N 3.48Å; Q86-L89 VanDerWaalsContact O-N 3.14Å; L89-H92 PolarHBondContact O-N 3.42Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 PolarHBondContact O-N 3.1Å
90	L	93.5	Very high	89.1	Confident	70 Å²	70	73.7 Å²	73.7	37%	0.366	39%	0.386	S	S	.	.	H	α-helix	trans	-64.2	-43.3	176	-69	170.9	0	0	0	111.2	I79 P85 N87 H92 L93 E94	I79-L90 HydrophobicContact CD1-CD2 3.91Å; P85-L90 HydrophobicContact CB-CD1 4.35Å; N87-L90 PolarHBondContact O-N 2.98Å; L90-H92 PolarHBondContact O-N 2.87Å; L90-L93 WeakPolarHBondContact O-CB 3.42Å; L90-L93 PolarHBondContact O-N 3.29Å; L90-E94 WeakPolarHBondContact O-CG 3.23Å; L90-E94 PolarHBondContact O-N 3.44Å
91	Q	94.1	Very high	89.1	Confident	100 Å²	100	75.2 Å²	75.2	47%	0.467	38%	0.379	S	S	.	.	H	α-helix	trans	-60.9	-44.1	175.5	-72.4	168.4	29	0	0	111.9	N87 H88 L93 E94 I95	N87-Q91 PolarHBondContact ND2-NE2 3.48Å; N87-Q91 VanDerWaalsContact O-CG 3.23Å; N87-Q91 WeakPolarHBondContact O-CG 3.22Å; N87-Q91 PolarHBondContact O-N 3.34Å; N87-Q91 PolarHBondContact OD1-NE2 3.29Å; N87-Q91 VanDerWaalsContact OD1-NE2 3.14Å; H88-Q91 PolarHBondContact O-N 3.47Å; Q91-L93 VanDerWaalsContact C-N 3.34Å; Q91-L93 PolarHBondContact O-N 3.16Å; Q91-E94 PolarHBondContact O-N 3.18Å; Q91-I95 WeakPolarHBondContact O-CG1 3.23Å; Q91-I95 PolarHBondContact O-N 3.03Å; Q91-I95 VanDerWaalsContact O-N 3.1Å
92	H	94.8	Very high	89.1	Confident	63 Å²	63	73.6 Å²	73.6	29%	0.292	38%	0.376	S	S	.	.	H	α-helix	trans	-62	-42.7	174.9	-81.8	-150.9	0	0	0	111.4	H56 L75 H88 L89 L90 E94 I95 I96	H56-H92 AromaticContact CD2-ND1 3.89Å; H56-H92 AromaticContact CE1-CE1 3.75Å; H56-H92 AromaticContact CE1-ND1 3.85Å; H56-H92 AromaticContact NE2-CE1 3.31Å; H56-H92 PolarHBondContact NE2-CE1 3.19Å; H56-H92 VanDerWaalsContact NE2-CE1 3.31Å; H56-H92 AromaticContact NE2-CG 3.76Å; H56-H92 AromaticContact NE2-ND1 2.96Å; H56-H92 PolarHBondContact NE2-ND1 2.93Å; L75-H92 HydrophobicContact CD1-CB 4.12Å; L75-H92 HydrophobicContact CD2-CB 4.17Å; H88-H92 PolarHBondContact O-N 2.98Å; L89-H92 PolarHBondContact O-N 3.42Å; L90-H92 PolarHBondContact O-N 2.87Å; H92-E94 VanDerWaalsContact C-N 3.31Å; H92-E94 PolarHBondContact O-N 2.96Å; H92-I95 WeakPolarHBondContact O-CB 3.42Å; H92-I95 PolarHBondContact O-N 3.32Å; H92-I95 VanDerWaalsContact O-N 3.16Å; H92-I96 WeakPolarHBondContact O-CG1 3.27Å; H92-I96 PolarHBondContact O-N 3.28Å
93	L	96.5	Very high	89.2	Confident	5 Å²	5	76.8 Å²	76.8	3%	0.026	39%	0.387	C	S	.	.	H	α-helix	trans	-58.2	-43.5	177.2	179.3	62.5	0	0	0	111.9	E72 L75 L76 I79 L89 L90 Q91 I95 I96 R97	E72-L93 HydrophobicContact CG-CD1 3.73Å; L75-L93 HydrophobicContact CB-CD1 4.2Å; L75-L93 HydrophobicContact CD1-CB 4.32Å; L76-L93 HydrophobicContact CD2-CD1 4.42Å; L76-L93 HydrophobicContact CD2-CD2 3.79Å; L76-L93 HydrophobicContact CG-CD1 4.36Å; I79-L93 HydrophobicContact CD1-CB 4.43Å; I79-L93 HydrophobicContact CD1-CD2 3.84Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 PolarHBondContact O-N 3.1Å; L90-L93 WeakPolarHBondContact O-CB 3.42Å; L90-L93 PolarHBondContact O-N 3.29Å; Q91-L93 VanDerWaalsContact C-N 3.34Å; Q91-L93 PolarHBondContact O-N 3.16Å; L93-I95 PolarHBondContact O-N 3.31Å; L93-I96 PolarHBondContact O-N 3.29Å; L93-R97 WeakPolarHBondContact O-CG 3.4Å; L93-R97 PolarHBondContact O-N 3.23Å
94	E	96	Very high	89.5	Confident	114 Å²	114	72.1 Å²	72.1	53%	0.533	36%	0.364	S	S	.	.	H	α-helix	trans	-65.4	-37.2	177.2	-67.1	-55.2	113	0	0	112.5	L90 Q91 H92 R97 G98	L90-E94 WeakPolarHBondContact O-CG 3.23Å; L90-E94 PolarHBondContact O-N 3.44Å; Q91-E94 PolarHBondContact O-N 3.18Å; H92-E94 VanDerWaalsContact C-N 3.31Å; H92-E94 PolarHBondContact O-N 2.96Å; E94-R97 PolarHBondContact O-N 3.16Å; E94-R97 IonicContact OE1-NH1 2.76Å; E94-R97 PolarHBondContact OE1-NH1 3.2Å; E94-G98 PolarHBondContact O-N 3.46Å
95	I	96	Very high	89.3	Confident	103 Å²	103	70.7 Å²	70.7	53%	0.528	35%	0.354	S	S	.	.	H	α-helix	trans	-61.9	-46.5	173.3	-67.3	165.8	0	0	0	110.6	Q91 H92 L93 G98 R99	Q91-I95 WeakPolarHBondContact O-CG1 3.23Å; Q91-I95 PolarHBondContact O-N 3.03Å; Q91-I95 VanDerWaalsContact O-N 3.1Å; H92-I95 WeakPolarHBondContact O-CB 3.42Å; H92-I95 PolarHBondContact O-N 3.32Å; H92-I95 VanDerWaalsContact O-N 3.16Å; L93-I95 PolarHBondContact O-N 3.31Å; I95-G98 PolarHBondContact O-N 3.47Å; I95-R99 WeakPolarHBondContact O-CG 3.38Å; I95-R99 PolarHBondContact O-N 3.38Å
96	I	96.1	Very high	89.1	Confident	8 Å²	8	73.1 Å²	73.1	4%	0.041	36%	0.358	C	S	.	.	H	α-helix	trans	-62.7	-44.8	179.1	-61.6	-51.4	0	0	0	111.2	A63 L68 E72 L75 H92 L93 G98 R99 L100	A63-I96 HydrophobicContact CB-CD1 3.39Å; L68-I96 HydrophobicContact CB-CG2 4.34Å; L68-I96 HydrophobicContact CD2-CD1 4.05Å; L68-I96 HydrophobicContact CD2-CG2 4.3Å; L68-I96 WeakPolarHBondContact O-CG2 3.36Å; E72-I96 HydrophobicContact CB-CG2 4.02Å; L75-I96 HydrophobicContact CD1-CG1 3.78Å; H92-I96 WeakPolarHBondContact O-CG1 3.27Å; H92-I96 PolarHBondContact O-N 3.28Å; L93-I96 PolarHBondContact O-N 3.29Å; I96-G98 VanDerWaalsContact C-N 3.34Å; I96-G98 PolarHBondContact O-N 3.42Å; I96-R99 WeakPolarHBondContact O-CB 3.22Å; I96-R99 PolarHBondContact O-N 2.89Å; I96-L100 HydrophobicContact CG2-CD1 4.08Å; I96-L100 WeakPolarHBondContact O-CG 3.16Å; I96-L100 PolarHBondContact O-N 3.43Å
97	R	95.9	Very high	88.9	Confident	95 Å²	95	73 Å²	73	36%	0.358	36%	0.363	S	S	.	.	H	α-helix	trans	-62.1	-39.8	175.9	-75.5	174	170.3	170.4	-3.7	112.8	E72 L93 E94 R99 L100 H101	E72-R97 VanDerWaalsContact OE1-CG 3.3Å; E72-R97 WeakPolarHBondContact OE1-CG 3.48Å; E72-R97 IonicContact OE1-CZ 2.81Å; E72-R97 IonicContact OE1-NE 2.7Å; E72-R97 PolarHBondContact OE1-NE 3.5Å; E72-R97 IonicContact OE1-NH2 2.9Å; L93-R97 WeakPolarHBondContact O-CG 3.4Å; L93-R97 PolarHBondContact O-N 3.23Å; E94-R97 PolarHBondContact O-N 3.16Å; E94-R97 IonicContact OE1-NH1 2.76Å; E94-R97 PolarHBondContact OE1-NH1 3.2Å; R97-R99 VanDerWaalsContact C-N 3.33Å; R97-R99 PolarHBondContact O-N 2.94Å; R97-L100 PolarHBondContact O-N 3.07Å; R97-H101 WeakPolarHBondContact O-CB 3.23Å; R97-H101 PolarHBondContact O-N 3.09Å
98	G	95.7	Very high	88	Confident	36 Å²	36	74.3 Å²	74.3	37%	0.371	36%	0.36	S	S	.	.	H	α-helix	trans	-60.5	-41.2	173.7	0	0	0	0	0	112.8	E94 I95 I96 S102	E94-G98 PolarHBondContact O-N 3.46Å; I95-G98 PolarHBondContact O-N 3.47Å; I96-G98 VanDerWaalsContact C-N 3.34Å; I96-G98 PolarHBondContact O-N 3.42Å; G98-S102 WeakPolarHBondContact O-CB 3.33Å; G98-S102 PolarHBondContact O-N 2.81Å; G98-S102 VanDerWaalsContact O-N 3.08Å; G98-S102 PolarHBondContact O-OG 2.96Å
99	R	94.3	Very high	87.1	Confident	86 Å²	86	75.1 Å²	75.1	33%	0.325	37%	0.369	S	S	.	.	H	α-helix	trans	-64.6	-46.5	174	-70.4	174.4	63.7	-174.1	-5.9	111.4	A63 D66 L68 I95 I96 R97 S102 R103	A63-R99 PolarHBondContact O-NH1 3.46Å; A63-R99 VanDerWaalsContact O-NH1 3.14Å; A63-R99 PolarHBondContact O-NH2 2.98Å; D66-R99 IonicContact OD1-NH2 3.84Å; D66-R99 PolarHBondContact OD1-NH2 3.37Å; L68-R99 HydrophobicContact CD1-CB 3.69Å; L68-R99 HydrophobicContact CD2-CB 4.24Å; L68-R99 VanDerWaalsContact CD2-NH2 3.35Å; I95-R99 WeakPolarHBondContact O-CG 3.38Å; I95-R99 PolarHBondContact O-N 3.38Å; I96-R99 WeakPolarHBondContact O-CB 3.22Å; I96-R99 PolarHBondContact O-N 2.89Å; R97-R99 VanDerWaalsContact C-N 3.33Å; R97-R99 PolarHBondContact O-N 2.94Å; R99-S102 PolarHBondContact O-N 3.4Å; R99-R103 PolarHBondContact O-N 3.02Å
100	L	93.3	Very high	85.7	Confident	28 Å²	28	81.8 Å²	81.8	15%	0.147	40%	0.398	C	S	.	.	H	α-helix	trans	-59.5	-48.5	177.4	-75.7	168.3	0	0	0	112.3	L68 E69 E72 I96 R97 S102 R103 G104	L68-L100 HydrophobicContact CB-CD1 4.44Å; L68-L100 HydrophobicContact CB-CD2 3.45Å; L68-L100 VanDerWaalsContact CB-CD2 3.45Å; L68-L100 HydrophobicContact CB-CG 3.79Å; L68-L100 HydrophobicContact CD1-CD2 4.28Å; L68-L100 HydrophobicContact CD1-CG 4.44Å; E69-L100 VanDerWaalsContact CD-CD2 3.43Å; E69-L100 HydrophobicContact CG-CD2 3.91Å; E69-L100 WeakPolarHBondContact OE1-CD2 3.11Å; E72-L100 HydrophobicContact CB-CD1 4.23Å; E72-L100 VanDerWaalsContact OE2-CD1 3.32Å; E72-L100 WeakPolarHBondContact OE2-CD1 3.49Å; I96-L100 HydrophobicContact CG2-CD1 4.08Å; I96-L100 WeakPolarHBondContact O-CG 3.16Å; I96-L100 PolarHBondContact O-N 3.43Å; R97-L100 PolarHBondContact O-N 3.07Å; L100-S102 VanDerWaalsContact C-N 3.32Å; L100-S102 PolarHBondContact O-N 3.37Å; L100-R103 WeakPolarHBondContact O-CB 3.41Å; L100-R103 PolarHBondContact O-N 3.4Å; L100-G104 PolarHBondContact O-N 3.32Å
101	H	91.6	Very high	84.5	Confident	118 Å²	118	84.6 Å²	84.6	55%	0.546	41%	0.413	S	S	.	.	H	α-helix	trans	-61.1	-41.2	178	177.2	-107.2	0	0	0	111.9	R97 R103 G104 R105	R97-H101 WeakPolarHBondContact O-CB 3.23Å; R97-H101 PolarHBondContact O-N 3.09Å; H101-R103 VanDerWaalsContact C-N 3.34Å; H101-G104 PolarHBondContact O-N 3.32Å; H101-R105 PolarHBondContact O-N 3.31Å; H101-R105 VanDerWaalsContact O-N 3.09Å
102	S	88.7	Confident	83.1	Confident	57 Å²	57	86 Å²	86	40%	0.399	42%	0.417	S	S	.	.	H	α-helix	trans	-66.4	-36.8	176.5	-60.8	0	0	0	0	112.1	G98 R99 L100 R105 H106	G98-S102 WeakPolarHBondContact O-CB 3.33Å; G98-S102 PolarHBondContact O-N 2.81Å; G98-S102 VanDerWaalsContact O-N 3.08Å; G98-S102 PolarHBondContact O-OG 2.96Å; R99-S102 PolarHBondContact O-N 3.4Å; L100-S102 VanDerWaalsContact C-N 3.32Å; L100-S102 PolarHBondContact O-N 3.37Å; S102-R105 PolarHBondContact O-N 3.22Å; S102-H106 PolarHBondContact O-N 3.26Å
103	R	85.9	Confident	81.7	Confident	95 Å²	95	89 Å²	89	36%	0.358	44%	0.436	S	S	.	.	H	α-helix	trans	-62.7	-44.8	173.8	-165.9	162.8	87.1	162.1	5	111.6	D66 E69 R99 L100 H101 R105 H106 T107	D66-R103 IonicContact OD2-NH1 3.46Å; D66-R103 PolarHBondContact OD2-NH1 2.98Å; E69-R103 IonicContact OE1-CZ 3.9Å; E69-R103 IonicContact OE1-NE 2.66Å; E69-R103 IonicContact OE1-NH2 2.62Å; E69-R103 PolarHBondContact OE1-NH2 3.26Å; E69-R103 IonicContact OE2-CZ 3.15Å; E69-R103 IonicContact OE2-NH2 2.82Å; E69-R103 PolarHBondContact OE2-NH2 3.35Å; R99-R103 PolarHBondContact O-N 3.02Å; L100-R103 WeakPolarHBondContact O-CB 3.41Å; L100-R103 PolarHBondContact O-N 3.4Å; H101-R103 VanDerWaalsContact C-N 3.34Å; R103-R105 PolarHBondContact O-N 3.02Å; R103-H106 PolarHBondContact O-N 3.41Å; R103-T107 PolarHBondContact O-N 3.09Å; R103-T107 PolarHBondContact O-OG1 3.46Å
104	G	80.6	Confident	80.1	Confident	38 Å²	38	95 Å²	95	39%	0.392	47%	0.472	S	S	.	.	H	α-helix	trans	-63.5	-38.6	177.6	0	0	0	0	0	114.1	L100 H101 H106 T107 Y108	L100-G104 PolarHBondContact O-N 3.32Å; H101-G104 PolarHBondContact O-N 3.32Å; G104-H106 VanDerWaalsContact C-N 3.31Å; G104-H106 PolarHBondContact O-N 2.97Å; G104-T107 PolarHBondContact O-OG1 3.2Å; G104-Y108 WeakPolarHBondContact O-CB 3.42Å; G104-Y108 PolarHBondContact O-N 3.34Å; G104-Y108 VanDerWaalsContact O-N 3.08Å
105	R	76.1	Confident	78	Confident	144 Å²	144	99.6 Å²	99.6	54%	0.543	50%	0.501	S	S	.	.	H	α-helix	trans	-63.8	-39.6	173.6	-71.8	-169.7	-65	164.6	-0.5	111.6	H101 S102 R103 Y108 T109	H101-R105 PolarHBondContact O-N 3.31Å; H101-R105 VanDerWaalsContact O-N 3.09Å; S102-R105 PolarHBondContact O-N 3.22Å; R103-R105 PolarHBondContact O-N 3.02Å; R105-Y108 PolarHBondContact O-N 3.28Å; R105-T109 PolarHBondContact O-N 3.14Å; R105-T109 PolarHBondContact O-OG1 3.14Å
106	H	67.4	Low	77.1	Confident	129 Å²	129	99.5 Å²	99.5	60%	0.597	50%	0.499	S	S	*	.	H	α-helix	trans	-69.7	-38	-178.1	-132.9	29.8	0	0	0	112.6	S102 R103 G104 K110	S102-H106 PolarHBondContact O-N 3.26Å; R103-H106 PolarHBondContact O-N 3.41Å; G104-H106 VanDerWaalsContact C-N 3.31Å; G104-H106 PolarHBondContact O-N 2.97Å; H106-K110 WeakPolarHBondContact O-CG 3.3Å; H106-K110 PolarHBondContact O-N 3.01Å; H106-K110 VanDerWaalsContact O-N 3.13Å
107	T	68.9	Low	76.1	Confident	78 Å²	78	104.3 Å²	104.3	48%	0.479	52%	0.523	S	S	.	.	H	α-helix	trans	-65.9	-40.8	172.7	56.7	0	0	0	0	111.6	R103 G104 K110 L111	R103-T107 PolarHBondContact O-N 3.09Å; R103-T107 PolarHBondContact O-OG1 3.46Å; G104-T107 PolarHBondContact O-OG1 3.2Å; T107-K110 PolarHBondContact O-N 2.8Å; T107-L111 WeakPolarHBondContact O-CG 3.32Å; T107-L111 PolarHBondContact O-N 3.01Å
108	Y	61.6	Low	75	Confident	138 Å²	138	104.8 Å²	104.8	54%	0.541	53%	0.532	S	S	.	.	H	α-helix	trans	-64.4	-43	177.1	-172	-102	0	0	0	113.2	G104 R105 K110 L111 K112	G104-Y108 WeakPolarHBondContact O-CB 3.42Å; G104-Y108 PolarHBondContact O-N 3.34Å; G104-Y108 VanDerWaalsContact O-N 3.08Å; R105-Y108 PolarHBondContact O-N 3.28Å; Y108-K110 PolarHBondContact O-N 3.5Å; Y108-L111 PolarHBondContact O-N 2.67Å; Y108-K112 HydrophobicContact CE1-CD 3.94Å; Y108-K112 HydrophobicContact CE1-CG 4.4Å; Y108-K112 VanDerWaalsContact CZ-CE 3.48Å; Y108-K112 PolarHBondContact O-N 3.34Å; Y108-K112 VanDerWaalsContact O-N 3.15Å; Y108-K112 WeakPolarHBondContact OH-CE 3.39Å; Y108-K112 PolarHBondContact OH-NZ 3.12Å
109	T	70.1	Confident	73.8	Confident	72 Å²	72	108.8 Å²	108.8	44%	0.442	54%	0.542	S	S	.	.	H	α-helix	trans	-64.7	-39.2	176	-52.6	0	0	0	0	111.9	R105 L111 K112 N113	R105-T109 PolarHBondContact O-N 3.14Å; R105-T109 PolarHBondContact O-OG1 3.14Å; T109-L111 VanDerWaalsContact C-N 3.34Å; T109-L111 PolarHBondContact O-N 2.81Å; T109-K112 PolarHBondContact O-N 3.07Å; T109-N113 PolarHBondContact O-N 3.18Å
110	K	62.5	Low	72.5	Confident	140 Å²	140	110.3 Å²	110.3	61%	0.609	56%	0.556	S	S	*	*	H	α-helix	trans	-61.7	-40.9	174.4	-77.5	-177.5	179.2	-176.8	0	112	H106 T107 Y108 K112 N113 V114	H106-K110 WeakPolarHBondContact O-CG 3.3Å; H106-K110 PolarHBondContact O-N 3.01Å; H106-K110 VanDerWaalsContact O-N 3.13Å; T107-K110 PolarHBondContact O-N 2.8Å; Y108-K110 PolarHBondContact O-N 3.5Å; K110-K112 VanDerWaalsContact C-N 3.34Å; K110-K112 PolarHBondContact O-N 3.3Å; K110-N113 PolarHBondContact O-N 3.28Å; K110-V114 WeakPolarHBondContact O-CG2 3.28Å
111	L	68.9	Low	71.1	Confident	129 Å²	129	115.7 Å²	115.7	68%	0.675	58%	0.583	S	S	*	*	H	α-helix	trans	-64.3	-35.8	177.1	-71.7	166.2	0	0	0	112.7	T107 Y108 T109	T107-L111 WeakPolarHBondContact O-CG 3.32Å; T107-L111 PolarHBondContact O-N 3.01Å; Y108-L111 PolarHBondContact O-N 2.67Å; T109-L111 VanDerWaalsContact C-N 3.34Å; T109-L111 PolarHBondContact O-N 2.81Å
112	K	65.5	Low	69.7	Low	129 Å²	129	115.6 Å²	115.6	56%	0.561	59%	0.585	S	S	*	*	H	α-helix	trans	-70.2	-27.8	177.1	-79.9	-166.6	171.2	-179.4	0	114.5	Y108 T109 K110	Y108-K112 HydrophobicContact CE1-CD 3.94Å; Y108-K112 HydrophobicContact CE1-CG 4.4Å; Y108-K112 VanDerWaalsContact CZ-CE 3.48Å; Y108-K112 PolarHBondContact O-N 3.34Å; Y108-K112 VanDerWaalsContact O-N 3.15Å; Y108-K112 WeakPolarHBondContact OH-CE 3.39Å; Y108-K112 PolarHBondContact OH-NZ 3.12Å; T109-K112 PolarHBondContact O-N 3.07Å; K110-K112 VanDerWaalsContact C-N 3.34Å; K110-K112 PolarHBondContact O-N 3.3Å
113	N	63.8	Low	68.2	Low	128 Å²	128	120.1 Å²	120.1	68%	0.684	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	1.4	-177.3	-69.1	-20.8	0	0	0	113.9	T109 K110	T109-N113 PolarHBondContact O-N 3.18Å; K110-N113 PolarHBondContact O-N 3.28Å
114	V	62.6	Low	66.7	Low	129 Å²	129	122.2 Å²	122.2	78%	0.782	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	8.2	178.6	175.8	0	0	0	0	111.7	K110	K110-V114 WeakPolarHBondContact O-CG2 3.28Å
115	N	52.8	Low	65.5	Low	212 Å²	212	129.8 Å²	129.8	100%	1.134	64%	0.641	S	S	*	*			trans	-116.9	0	174.8	-143.1	10.4	0	0	0	109.6

Retrieved 115 of 115 residues in 74.2 ms (Link to these results)

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