A0A077ZD95_TRITR Loading...

TipAS domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZD95, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 192 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.9	Very low	59.2	Low	241 Å²	241	105.3 Å²	105.3	100%	1.187	55%	0.553	S	S	*	*				0	63.3	0	-64.7	-177.2	-173.9	0	0	110.1
2	G	51.5	Low	60	Low	62 Å²	62	105.8 Å²	105.8	64%	0.639	56%	0.563	S	S	*	*			trans	-119.7	140.6	178	0	0	0	0	0	108.3
3	I	53.4	Low	61.1	Low	88 Å²	88	109 Å²	109	45%	0.451	58%	0.581	S	S	.	*			trans	-51.3	126.8	165.3	-55.1	171.3	0	0	0	106	L5 T7 I8	I3-L5 PolarHBondContact O-N 3.44Å; I3-L5 VanDerWaalsContact O-N 3.09Å; I3-T7 HydrophobicContact CG2-CG2 4.35Å; I3-I8 HydrophobicContact CB-CD1 4.05Å; I3-I8 HydrophobicContact CB-CG1 3.92Å; I3-I8 HydrophobicContact CG2-CD1 4.21Å; I3-I8 HydrophobicContact CG2-CG1 3.5Å
4	P	59.9	Low	62.1	Low	80 Å²	80	109.9 Å²	109.9	52%	0.519	57%	0.572	S	S	.	*			trans	-53.1	126.2	176	-23.1	31.9	0	0	0	107.9	K6 T7 I8	P4-K6 CarbonylContact O-C 3.6Å; P4-K6 PolarHBondContact O-N 3.47Å; P4-T7 WeakPolarHBondContact O-CA 3.45Å; P4-T7 WeakPolarHBondContact O-CB 3.45Å; P4-T7 PolarHBondContact O-N 3.33Å; P4-I8 PolarHBondContact O-N 2.84Å; P4-I8 VanDerWaalsContact O-N 3.14Å
5	L	57.5	Low	63.2	Low	145 Å²	145	108 Å²	108	76%	0.759	57%	0.569	S	S	*	*	H	α-helix	trans	-52.5	-28.7	178.9	-77	166.8	0	0	0	111.4	I3 I8 K9	I3-L5 PolarHBondContact O-N 3.44Å; I3-L5 VanDerWaalsContact O-N 3.09Å; L5-I8 HydrophobicContact CD2-CD1 4.38Å; L5-I8 PolarHBondContact O-N 2.89Å; L5-K9 WeakPolarHBondContact O-CB 3.49Å; L5-K9 PolarHBondContact O-N 2.68Å
6	K	62	Low	64.4	Low	151 Å²	151	110.3 Å²	110.3	66%	0.657	58%	0.582	S	S	*	*	H	α-helix	trans	-57.8	-47.6	171.1	-170	179.2	177.2	-173.7	0	112.6	P4 K9 E10	P4-K6 CarbonylContact O-C 3.6Å; P4-K6 PolarHBondContact O-N 3.47Å; K6-K9 PolarHBondContact O-N 2.88Å; K6-E10 WeakPolarHBondContact CE-OE1 3.23Å; K6-E10 WeakPolarHBondContact O-CB 3.16Å; K6-E10 WeakPolarHBondContact O-CG 3.31Å; K6-E10 PolarHBondContact O-N 2.77Å
7	T	61.8	Low	65.2	Low	34 Å²	34	113.2 Å²	113.2	21%	0.209	59%	0.592	C	S	.	*	H	α-helix	trans	-66.1	-40.5	176.5	-48.7	0	0	0	0	111.4	I3 P4 K9 E10 L11 Q26	I3-T7 HydrophobicContact CG2-CG2 4.35Å; P4-T7 WeakPolarHBondContact O-CA 3.45Å; P4-T7 WeakPolarHBondContact O-CB 3.45Å; P4-T7 PolarHBondContact O-N 3.33Å; T7-K9 VanDerWaalsContact C-N 3.32Å; T7-K9 PolarHBondContact O-N 3.37Å; T7-E10 PolarHBondContact O-N 3.14Å; T7-L11 HydrophobicContact CG2-CD1 4.08Å; T7-L11 WeakPolarHBondContact O-CB 3.39Å; T7-L11 WeakPolarHBondContact O-CD1 3.39Å; T7-L11 WeakPolarHBondContact O-CG 3.47Å; T7-L11 PolarHBondContact O-N 3.12Å; T7-Q26 VanDerWaalsContact CG2-NE2 3.35Å
8	I	62.3	Low	66	Low	74 Å²	74	113.1 Å²	113.1	38%	0.379	59%	0.586	S	S	.	*	H	α-helix	trans	-58.9	-47.5	173.5	-59.1	-178.2	0	0	0	109.8	I3 P4 L5 E10 L11 V12	I3-I8 HydrophobicContact CB-CD1 4.05Å; I3-I8 HydrophobicContact CB-CG1 3.92Å; I3-I8 HydrophobicContact CG2-CD1 4.21Å; I3-I8 HydrophobicContact CG2-CG1 3.5Å; P4-I8 PolarHBondContact O-N 2.84Å; P4-I8 VanDerWaalsContact O-N 3.14Å; L5-I8 HydrophobicContact CD2-CD1 4.38Å; L5-I8 PolarHBondContact O-N 2.89Å; I8-E10 PolarHBondContact O-N 3.36Å; I8-L11 WeakPolarHBondContact O-CB 3.45Å; I8-L11 PolarHBondContact O-N 3.04Å; I8-L11 VanDerWaalsContact O-N 3.12Å; I8-V12 WeakPolarHBondContact O-CG2 3.39Å; I8-V12 PolarHBondContact O-N 2.96Å
9	K	64.3	Low	66.8	Low	158 Å²	158	108.8 Å²	108.8	69%	0.687	57%	0.565	S	S	*	*	H	α-helix	trans	-61.8	-42.7	179.8	-169.8	178.2	-179.1	-179	0	112.4	L5 K6 T7 L11 V12	L5-K9 WeakPolarHBondContact O-CB 3.49Å; L5-K9 PolarHBondContact O-N 2.68Å; K6-K9 PolarHBondContact O-N 2.88Å; T7-K9 VanDerWaalsContact C-N 3.32Å; T7-K9 PolarHBondContact O-N 3.37Å; K9-L11 PolarHBondContact O-N 3.46Å; K9-V12 PolarHBondContact O-N 3.09Å
10	E	65.7	Low	67.6	Low	106 Å²	106	105.7 Å²	105.7	50%	0.495	56%	0.555	S	S	.	*	H	α-helix	trans	-66.2	-24	176.4	-73.7	171.3	-171.8	0	0	113	K6 T7 I8 R14	K6-E10 WeakPolarHBondContact CE-OE1 3.23Å; K6-E10 WeakPolarHBondContact O-CB 3.16Å; K6-E10 WeakPolarHBondContact O-CG 3.31Å; K6-E10 PolarHBondContact O-N 2.77Å; T7-E10 PolarHBondContact O-N 3.14Å; I8-E10 PolarHBondContact O-N 3.36Å; E10-R14 WeakPolarHBondContact O-CD 3.33Å; E10-R14 WeakPolarHBondContact O-CG 3.43Å
11	L	66.7	Low	68.4	Low	19 Å²	19	105.4 Å²	105.4	10%	0.099	55%	0.554	C	S	.	*	H	α-helix	trans	-81.4	-30.4	178.1	-72.3	166.7	0	0	0	113.3	T7 I8 K9 D13 R14 V19 T22	T7-L11 HydrophobicContact CG2-CD1 4.08Å; T7-L11 WeakPolarHBondContact O-CB 3.39Å; T7-L11 WeakPolarHBondContact O-CD1 3.39Å; T7-L11 WeakPolarHBondContact O-CG 3.47Å; T7-L11 PolarHBondContact O-N 3.12Å; I8-L11 WeakPolarHBondContact O-CB 3.45Å; I8-L11 PolarHBondContact O-N 3.04Å; I8-L11 VanDerWaalsContact O-N 3.12Å; K9-L11 PolarHBondContact O-N 3.46Å; L11-D13 VanDerWaalsContact C-N 3.28Å; L11-D13 PolarHBondContact O-N 2.9Å; L11-R14 PolarHBondContact O-N 3.37Å; L11-V19 HydrophobicContact CB-CG1 4.47Å; L11-V19 HydrophobicContact CB-CG2 4.37Å; L11-V19 HydrophobicContact CD2-CB 4.24Å; L11-V19 HydrophobicContact CD2-CG1 4.12Å; L11-V19 HydrophobicContact CD2-CG2 4.09Å; L11-V19 WeakPolarHBondContact O-CG2 3.38Å; L11-T22 HydrophobicContact CD1-CG2 4.31Å; L11-T22 HydrophobicContact CD2-CG2 3.75Å; L11-T22 HydrophobicContact CG-CG2 4.49Å
12	V	68.9	Low	70.1	Confident	111 Å²	111	95.5 Å²	95.5	67%	0.673	51%	0.508	S	S	*	.	H	α-helix	trans	-61.7	-34.7	-175.6	174.9	0	0	0	0	112.6	I8 K9	I8-V12 WeakPolarHBondContact O-CG2 3.39Å; I8-V12 PolarHBondContact O-N 2.96Å; K9-V12 PolarHBondContact O-N 3.09Å
13	D	74	Confident	71.7	Confident	148 Å²	148	96.7 Å²	96.7	79%	0.791	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	4.8	-176.1	-63.3	-33.7	0	0	0	113.5	L11	L11-D13 VanDerWaalsContact C-N 3.28Å; L11-D13 PolarHBondContact O-N 2.9Å
14	R	75.4	Confident	73.3	Confident	121 Å²	121	96.9 Å²	96.9	46%	0.457	50%	0.5	S	S	.	.	S	Bend	trans	-95.7	149.8	-176	-81.6	-178.5	150.8	-159.5	-4	112	E10 L11 D16 K18 V19	E10-R14 WeakPolarHBondContact O-CD 3.33Å; E10-R14 WeakPolarHBondContact O-CG 3.43Å; L11-R14 PolarHBondContact O-N 3.37Å; R14-D16 PolarHBondContact O-N 3.41Å; R14-K18 HydrophobicContact CB-CB 4.34Å; R14-V19 HydrophobicContact CB-CG2 3.87Å
15	P	79.6	Confident	74.4	Confident	82 Å²	82	98.5 Å²	98.5	53%	0.532	50%	0.501	S	S	.	.			trans	-53.5	140.2	168.3	-22.7	31.9	0	0	0	111.4	E17 K18 V19	P15-E17 PolarHBondContact O-N 3.45Å; P15-E17 VanDerWaalsContact O-N 3.08Å; P15-K18 HydrophobicContact CG-CD 4.5Å; P15-K18 WeakPolarHBondContact O-CB 3.49Å; P15-K18 PolarHBondContact O-N 3.28Å; P15-V19 PolarHBondContact O-N 3.29Å; P15-V19 VanDerWaalsContact O-N 3.16Å
16	D	81.8	Confident	75.6	Confident	145 Å²	145	93.2 Å²	93.2	78%	0.775	47%	0.472	S	S	*	.	H	α-helix	trans	-49.8	-38.9	-176.3	-67.9	-12.5	0	0	0	113.3	R14 K18 V19 A20	R14-D16 PolarHBondContact O-N 3.41Å; D16-K18 PolarHBondContact O-N 3.23Å; D16-V19 WeakPolarHBondContact O-CB 3.42Å; D16-V19 PolarHBondContact O-N 3.25Å; D16-V19 VanDerWaalsContact O-N 3.16Å; D16-A20 WeakPolarHBondContact O-CB 3.17Å; D16-A20 PolarHBondContact O-N 3.44Å
17	E	77.3	Confident	76.9	Confident	160 Å²	160	91.5 Å²	91.5	75%	0.748	47%	0.465	S	S	*	.	H	α-helix	trans	-59.7	-43.7	176.6	-65.8	178.2	178	0	0	112.2	P15 V19 A20 D21	P15-E17 PolarHBondContact O-N 3.45Å; P15-E17 VanDerWaalsContact O-N 3.08Å; E17-V19 VanDerWaalsContact C-N 3.3Å; E17-V19 PolarHBondContact O-N 3.5Å; E17-A20 PolarHBondContact O-N 3.16Å; E17-D21 PolarHBondContact O-N 2.87Å
18	K	80.3	Confident	78.2	Confident	111 Å²	111	93.1 Å²	93.1	48%	0.483	47%	0.471	S	S	.	.	H	α-helix	trans	-69.4	-30.9	177	-67.4	-169.6	-179.7	177.9	0	112.1	R14 P15 D16 T22	R14-K18 HydrophobicContact CB-CB 4.34Å; P15-K18 HydrophobicContact CG-CD 4.5Å; P15-K18 WeakPolarHBondContact O-CB 3.49Å; P15-K18 PolarHBondContact O-N 3.28Å; D16-K18 PolarHBondContact O-N 3.23Å; K18-T22 WeakPolarHBondContact O-CB 3.2Å; K18-T22 PolarHBondContact O-N 3.2Å; K18-T22 VanDerWaalsContact O-N 3.13Å; K18-T22 PolarHBondContact O-OG1 3.37Å
19	V	80.6	Confident	79.2	Confident	31 Å²	31	95.5 Å²	95.5	19%	0.188	48%	0.481	C	S	.	.	H	α-helix	trans	-67.9	-48.2	173.9	177.8	0	0	0	0	109.7	L11 R14 P15 D16 E17 D21 T22 L23	L11-V19 HydrophobicContact CB-CG1 4.47Å; L11-V19 HydrophobicContact CB-CG2 4.37Å; L11-V19 HydrophobicContact CD2-CB 4.24Å; L11-V19 HydrophobicContact CD2-CG1 4.12Å; L11-V19 HydrophobicContact CD2-CG2 4.09Å; L11-V19 WeakPolarHBondContact O-CG2 3.38Å; R14-V19 HydrophobicContact CB-CG2 3.87Å; P15-V19 PolarHBondContact O-N 3.29Å; P15-V19 VanDerWaalsContact O-N 3.16Å; D16-V19 WeakPolarHBondContact O-CB 3.42Å; D16-V19 PolarHBondContact O-N 3.25Å; D16-V19 VanDerWaalsContact O-N 3.16Å; E17-V19 VanDerWaalsContact C-N 3.3Å; E17-V19 PolarHBondContact O-N 3.5Å; V19-D21 PolarHBondContact O-N 3.08Å; V19-T22 WeakPolarHBondContact O-CB 3.4Å; V19-T22 PolarHBondContact O-N 2.91Å; V19-T22 VanDerWaalsContact O-N 3.17Å; V19-L23 HydrophobicContact CG1-CD1 4.1Å; V19-L23 HydrophobicContact CG1-CG 4.44Å; V19-L23 WeakPolarHBondContact O-CG 3.47Å; V19-L23 PolarHBondContact O-N 3.17Å
20	A	83.2	Confident	80.3	Confident	46 Å²	46	93.9 Å²	93.9	38%	0.38	48%	0.479	S	S	.	.	H	α-helix	trans	-58.3	-47.2	176.9	0	0	0	0	0	111.8	D16 E17 T22 L23 I24	D16-A20 WeakPolarHBondContact O-CB 3.17Å; D16-A20 PolarHBondContact O-N 3.44Å; E17-A20 PolarHBondContact O-N 3.16Å; A20-T22 VanDerWaalsContact C-N 3.3Å; A20-T22 PolarHBondContact O-N 2.93Å; A20-L23 PolarHBondContact O-N 3.13Å; A20-I24 VanDerWaalsContact O-CG1 3.3Å; A20-I24 WeakPolarHBondContact O-CG1 3.48Å; A20-I24 PolarHBondContact O-N 3.16Å
21	D	84.5	Confident	81.6	Confident	100 Å²	100	92.1 Å²	92.1	54%	0.535	47%	0.471	S	S	.	.	H	α-helix	trans	-57.4	-44.2	175.3	-74.3	-21.6	0	0	0	111.6	E17 V19 I24 Q25	E17-D21 PolarHBondContact O-N 2.87Å; V19-D21 PolarHBondContact O-N 3.08Å; D21-I24 PolarHBondContact O-N 3.48Å; D21-Q25 WeakPolarHBondContact O-CG 3.37Å; D21-Q25 PolarHBondContact O-N 2.93Å
22	T	81.5	Confident	82.4	Confident	34 Å²	34	96 Å²	96	21%	0.209	49%	0.488	C	S	.	.	H	α-helix	trans	-63.4	-43.7	178	-54.4	0	0	0	0	111.3	L11 K18 V19 A20 Q25 Q26	L11-T22 HydrophobicContact CD1-CG2 4.31Å; L11-T22 HydrophobicContact CD2-CG2 3.75Å; L11-T22 HydrophobicContact CG-CG2 4.49Å; K18-T22 WeakPolarHBondContact O-CB 3.2Å; K18-T22 PolarHBondContact O-N 3.2Å; K18-T22 VanDerWaalsContact O-N 3.13Å; K18-T22 PolarHBondContact O-OG1 3.37Å; V19-T22 WeakPolarHBondContact O-CB 3.4Å; V19-T22 PolarHBondContact O-N 2.91Å; V19-T22 VanDerWaalsContact O-N 3.17Å; A20-T22 VanDerWaalsContact C-N 3.3Å; A20-T22 PolarHBondContact O-N 2.93Å; T22-Q25 PolarHBondContact O-N 3.36Å; T22-Q26 WeakPolarHBondContact O-CB 3.5Å; T22-Q26 VanDerWaalsContact O-CG 3.27Å; T22-Q26 WeakPolarHBondContact O-CG 3.48Å; T22-Q26 PolarHBondContact O-N 2.74Å
23	L	84.5	Confident	83.1	Confident	87 Å²	87	94.6 Å²	94.6	46%	0.455	47%	0.473	S	S	.	.	H	α-helix	trans	-65.8	-36.6	177.4	-69.5	174.2	0	0	0	112.3	V19 A20 Q26 K27	V19-L23 HydrophobicContact CG1-CD1 4.1Å; V19-L23 HydrophobicContact CG1-CG 4.44Å; V19-L23 WeakPolarHBondContact O-CG 3.47Å; V19-L23 PolarHBondContact O-N 3.17Å; A20-L23 PolarHBondContact O-N 3.13Å; L23-Q26 PolarHBondContact O-N 2.87Å; L23-K27 WeakPolarHBondContact O-CB 3.3Å; L23-K27 PolarHBondContact O-N 3.27Å
24	I	87.1	Confident	83.9	Confident	92 Å²	92	94.2 Å²	94.2	47%	0.472	46%	0.461	S	S	.	.	H	α-helix	trans	-62.8	-47.7	174.4	-71.2	165.3	0	0	0	110.2	A20 D21 Q26 K27 I28	A20-I24 VanDerWaalsContact O-CG1 3.3Å; A20-I24 WeakPolarHBondContact O-CG1 3.48Å; A20-I24 PolarHBondContact O-N 3.16Å; D21-I24 PolarHBondContact O-N 3.48Å; I24-Q26 VanDerWaalsContact C-N 3.33Å; I24-Q26 PolarHBondContact O-N 2.88Å; I24-K27 PolarHBondContact O-N 2.88Å; I24-I28 HydrophobicContact CG2-CD1 4.07Å; I24-I28 WeakPolarHBondContact O-CG1 3.27Å; I24-I28 PolarHBondContact O-N 3.29Å
25	Q	83.5	Confident	84.5	Confident	113 Å²	113	93.9 Å²	93.9	53%	0.528	46%	0.464	S	S	.	.	H	α-helix	trans	-62.3	-41.4	176.9	-65.6	-53.1	-45.8	0	0	111.7	D21 T22 K27 I28 Q29	D21-Q25 WeakPolarHBondContact O-CG 3.37Å; D21-Q25 PolarHBondContact O-N 2.93Å; T22-Q25 PolarHBondContact O-N 3.36Å; Q25-K27 PolarHBondContact O-N 3.46Å; Q25-I28 PolarHBondContact O-N 2.99Å; Q25-Q29 WeakPolarHBondContact O-CG 3.48Å; Q25-Q29 PolarHBondContact O-N 2.85Å
26	Q	82.1	Confident	84.7	Confident	35 Å²	35	93 Å²	93	16%	0.164	45%	0.453	C	S	.	.	H	α-helix	trans	-62.4	-41.7	174.9	-74.6	174.8	-1.5	0	0	112.4	T7 T22 L23 I24 I28 Q29 L30	T7-Q26 VanDerWaalsContact CG2-NE2 3.35Å; T22-Q26 WeakPolarHBondContact O-CB 3.5Å; T22-Q26 VanDerWaalsContact O-CG 3.27Å; T22-Q26 WeakPolarHBondContact O-CG 3.48Å; T22-Q26 PolarHBondContact O-N 2.74Å; L23-Q26 PolarHBondContact O-N 2.87Å; I24-Q26 VanDerWaalsContact C-N 3.33Å; I24-Q26 PolarHBondContact O-N 2.88Å; Q26-I28 VanDerWaalsContact C-N 3.33Å; Q26-I28 PolarHBondContact O-N 3.43Å; Q26-Q29 PolarHBondContact O-N 3.48Å; Q26-L30 WeakPolarHBondContact O-CB 3.44Å; Q26-L30 WeakPolarHBondContact O-CG 3.35Å; Q26-L30 PolarHBondContact O-N 3.24Å
27	K	90.3	Very high	84.9	Confident	115 Å²	115	89.6 Å²	89.6	50%	0.5	43%	0.434	S	S	.	.	H	α-helix	trans	-60.3	-44.8	176	-179.2	178.2	175.1	-73.1	0	110.9	L23 I24 Q25 Q29 L30 E31	L23-K27 WeakPolarHBondContact O-CB 3.3Å; L23-K27 PolarHBondContact O-N 3.27Å; I24-K27 PolarHBondContact O-N 2.88Å; Q25-K27 PolarHBondContact O-N 3.46Å; K27-Q29 VanDerWaalsContact C-N 3.35Å; K27-Q29 PolarHBondContact O-N 3.29Å; K27-L30 PolarHBondContact O-N 2.85Å; K27-E31 HydrophobicContact CG-CG 4.45Å; K27-E31 IonicContact NZ-OE1 3.48Å; K27-E31 PolarHBondContact NZ-OE1 3.01Å; K27-E31 IonicContact NZ-OE2 3.97Å; K27-E31 PolarHBondContact NZ-OE2 3.33Å; K27-E31 WeakPolarHBondContact O-CB 3.46Å; K27-E31 WeakPolarHBondContact O-CG 3.34Å; K27-E31 PolarHBondContact O-N 3.49Å
28	I	88.3	Confident	85.7	Confident	67 Å²	67	86.1 Å²	86.1	34%	0.344	42%	0.421	S	S	.	.	H	α-helix	trans	-59.8	-46.3	176.7	-67.8	165.5	0	0	0	110.5	I24 Q25 Q26 L30 E31 Q32	I24-I28 HydrophobicContact CG2-CD1 4.07Å; I24-I28 WeakPolarHBondContact O-CG1 3.27Å; I24-I28 PolarHBondContact O-N 3.29Å; Q25-I28 PolarHBondContact O-N 2.99Å; Q26-I28 VanDerWaalsContact C-N 3.33Å; Q26-I28 PolarHBondContact O-N 3.43Å; I28-L30 PolarHBondContact O-N 3.45Å; I28-E31 PolarHBondContact O-N 3.4Å; I28-Q32 WeakPolarHBondContact O-CG 3.48Å; I28-Q32 PolarHBondContact O-N 2.87Å
29	Q	83.5	Confident	85.9	Confident	124 Å²	124	86.9 Å²	86.9	58%	0.579	43%	0.426	S	S	*	.	H	α-helix	trans	-61.2	-41.8	176.7	-72.1	177.7	-25.2	0	0	112.4	Q25 Q26 K27 Q32 K33	Q25-Q29 WeakPolarHBondContact O-CG 3.48Å; Q25-Q29 PolarHBondContact O-N 2.85Å; Q26-Q29 PolarHBondContact O-N 3.48Å; K27-Q29 VanDerWaalsContact C-N 3.35Å; K27-Q29 PolarHBondContact O-N 3.29Å; Q29-Q32 PolarHBondContact O-N 3.02Å; Q29-K33 WeakPolarHBondContact O-CB 3.38Å; Q29-K33 PolarHBondContact O-N 3.48Å
30	L	88.6	Confident	86.1	Confident	124 Å²	124	87.6 Å²	87.6	65%	0.649	43%	0.429	S	S	*	.	H	α-helix	trans	-67.9	-36.8	176.5	-72.5	170.6	0	0	0	112.2	Q26 K27 I28 K33 R34	Q26-L30 WeakPolarHBondContact O-CB 3.44Å; Q26-L30 WeakPolarHBondContact O-CG 3.35Å; Q26-L30 PolarHBondContact O-N 3.24Å; K27-L30 PolarHBondContact O-N 2.85Å; I28-L30 PolarHBondContact O-N 3.45Å; L30-K33 PolarHBondContact O-N 3.3Å; L30-R34 WeakPolarHBondContact O-CB 3.28Å; L30-R34 PolarHBondContact O-N 3.43Å
31	E	92.6	Very high	86.5	Confident	69 Å²	69	90 Å²	90	32%	0.322	44%	0.435	S	S	.	.	H	α-helix	trans	-66.3	-40.4	175.3	-76.5	176.4	142.9	0	0	111.4	K27 I28 Q35	K27-E31 HydrophobicContact CG-CG 4.45Å; K27-E31 IonicContact NZ-OE1 3.48Å; K27-E31 PolarHBondContact NZ-OE1 3.01Å; K27-E31 IonicContact NZ-OE2 3.97Å; K27-E31 PolarHBondContact NZ-OE2 3.33Å; K27-E31 WeakPolarHBondContact O-CB 3.46Å; K27-E31 WeakPolarHBondContact O-CG 3.34Å; K27-E31 PolarHBondContact O-N 3.49Å; I28-E31 PolarHBondContact O-N 3.4Å; E31-Q35 WeakPolarHBondContact O-CG 3.4Å; E31-Q35 PolarHBondContact O-N 2.82Å; E31-Q35 VanDerWaalsContact O-N 3.14Å
32	Q	84	Confident	86.9	Confident	101 Å²	101	90.1 Å²	90.1	47%	0.472	43%	0.432	S	S	.	.	H	α-helix	trans	-62.4	-47.3	171.1	-71.9	169.6	-17.8	0	0	111.1	I28 Q29 R34 Q35 E36	I28-Q32 WeakPolarHBondContact O-CG 3.48Å; I28-Q32 PolarHBondContact O-N 2.87Å; Q29-Q32 PolarHBondContact O-N 3.02Å; Q32-R34 VanDerWaalsContact C-N 3.3Å; Q32-R34 PolarHBondContact O-N 3.39Å; Q32-Q35 WeakPolarHBondContact O-CB 3.37Å; Q32-Q35 PolarHBondContact O-N 3.07Å; Q32-Q35 VanDerWaalsContact O-N 3.07Å; Q32-E36 PolarHBondContact O-N 3.14Å
33	K	82.3	Confident	87.1	Confident	81 Å²	81	90.3 Å²	90.3	35%	0.352	43%	0.433	S	S	.	.	H	α-helix	trans	-63	-37.5	179.9	-165.6	54.3	165.7	-172.7	0	112.5	Q29 L30 E36 L37 E92	Q29-K33 WeakPolarHBondContact O-CB 3.38Å; Q29-K33 PolarHBondContact O-N 3.48Å; L30-K33 PolarHBondContact O-N 3.3Å; K33-E36 WeakPolarHBondContact CD-OE2 3.34Å; K33-E36 IonicContact NZ-OE2 2.94Å; K33-E36 PolarHBondContact NZ-OE2 3.19Å; K33-E36 PolarHBondContact O-N 3.34Å; K33-L37 HydrophobicContact CG-CD1 4.39Å; K33-L37 WeakPolarHBondContact O-CB 3.28Å; K33-L37 VanDerWaalsContact O-CG 3.28Å; K33-L37 WeakPolarHBondContact O-CG 3.43Å; K33-L37 PolarHBondContact O-N 3.26Å; K33-E92 IonicContact NZ-OE1 3.47Å; K33-E92 PolarHBondContact NZ-OE1 2.95Å; K33-E92 IonicContact NZ-OE2 2.68Å
34	R	90.9	Very high	87.3	Confident	141 Å²	141	89.8 Å²	89.8	53%	0.532	43%	0.43	S	S	.	.	H	α-helix	trans	-61.4	-45.1	173.2	-176.3	-175.4	62.6	-178.3	-4.4	111.1	L30 Q32 E36 L37 D38	L30-R34 WeakPolarHBondContact O-CB 3.28Å; L30-R34 PolarHBondContact O-N 3.43Å; Q32-R34 VanDerWaalsContact C-N 3.3Å; Q32-R34 PolarHBondContact O-N 3.39Å; R34-E36 VanDerWaalsContact C-N 3.32Å; R34-E36 PolarHBondContact O-N 2.9Å; R34-L37 PolarHBondContact O-N 2.84Å; R34-D38 WeakPolarHBondContact O-CB 3.49Å; R34-D38 PolarHBondContact O-N 2.99Å
35	Q	87.5	Confident	87.6	Confident	113 Å²	113	90 Å²	90	53%	0.528	43%	0.432	S	S	.	.	H	α-helix	trans	-60.9	-41.5	177.6	-71.1	172.3	-4.8	0	0	112.1	E31 Q32 D38 Q39	E31-Q35 WeakPolarHBondContact O-CG 3.4Å; E31-Q35 PolarHBondContact O-N 2.82Å; E31-Q35 VanDerWaalsContact O-N 3.14Å; Q32-Q35 WeakPolarHBondContact O-CB 3.37Å; Q32-Q35 PolarHBondContact O-N 3.07Å; Q32-Q35 VanDerWaalsContact O-N 3.07Å; Q35-D38 PolarHBondContact O-N 3.22Å; Q35-Q39 WeakPolarHBondContact O-CG 3.46Å; Q35-Q39 PolarHBondContact O-N 3.42Å
36	E	83.6	Confident	88	Confident	65 Å²	65	87.5 Å²	87.5	30%	0.304	42%	0.42	S	S	.	.	H	α-helix	trans	-61.1	-45.1	173.5	-68.4	174.6	-177.6	0	0	111.8	Q32 K33 R34 Q39 L40	Q32-E36 PolarHBondContact O-N 3.14Å; K33-E36 WeakPolarHBondContact CD-OE2 3.34Å; K33-E36 IonicContact NZ-OE2 2.94Å; K33-E36 PolarHBondContact NZ-OE2 3.19Å; K33-E36 PolarHBondContact O-N 3.34Å; R34-E36 VanDerWaalsContact C-N 3.32Å; R34-E36 PolarHBondContact O-N 2.9Å; E36-Q39 PolarHBondContact O-N 3.38Å; E36-L40 WeakPolarHBondContact O-CB 3.38Å; E36-L40 PolarHBondContact O-N 2.93Å
37	L	87	Confident	88.3	Confident	72 Å²	72	87.2 Å²	87.2	38%	0.377	42%	0.42	S	S	.	.	H	α-helix	trans	-64.9	-39.2	177.8	-72.1	171.4	0	0	0	112.2	K33 R34 L40 L41	K33-L37 HydrophobicContact CG-CD1 4.39Å; K33-L37 WeakPolarHBondContact O-CB 3.28Å; K33-L37 VanDerWaalsContact O-CG 3.28Å; K33-L37 WeakPolarHBondContact O-CG 3.43Å; K33-L37 PolarHBondContact O-N 3.26Å; R34-L37 PolarHBondContact O-N 2.84Å; L37-L40 WeakPolarHBondContact O-CB 3.48Å; L37-L40 PolarHBondContact O-N 3.41Å; L37-L41 WeakPolarHBondContact O-CB 3.48Å; L37-L41 VanDerWaalsContact O-CG 3.28Å; L37-L41 WeakPolarHBondContact O-CG 3.33Å; L37-L41 PolarHBondContact O-N 3.42Å
38	D	93	Very high	88.4	Confident	87 Å²	87	85.9 Å²	85.9	47%	0.465	42%	0.418	S	S	.	.	H	α-helix	trans	-64	-42.2	177.1	-69.1	-23.4	0	0	0	110.9	R34 Q35 L40 L41 E42	R34-D38 WeakPolarHBondContact O-CB 3.49Å; R34-D38 PolarHBondContact O-N 2.99Å; Q35-D38 PolarHBondContact O-N 3.22Å; D38-L40 VanDerWaalsContact C-N 3.35Å; D38-L41 PolarHBondContact O-N 3.38Å; D38-E42 PolarHBondContact O-N 2.91Å
39	Q	86	Confident	88.8	Confident	127 Å²	127	88.1 Å²	88.1	59%	0.593	42%	0.422	S	S	*	.	H	α-helix	trans	-64.4	-39.4	174.5	-72.2	174.4	0.8	0	0	112.3	Q35 E36 E42 T43	Q35-Q39 WeakPolarHBondContact O-CG 3.46Å; Q35-Q39 PolarHBondContact O-N 3.42Å; E36-Q39 PolarHBondContact O-N 3.38Å; Q39-E42 PolarHBondContact O-N 3.41Å; Q39-T43 PolarHBondContact O-N 3.47Å; Q39-T43 PolarHBondContact O-OG1 2.87Å
40	L	85.2	Confident	89.1	Confident	46 Å²	46	86.2 Å²	86.2	24%	0.241	41%	0.41	C	S	.	.	H	α-helix	trans	-63.9	-46.1	176.1	175.9	55.3	0	0	0	111.2	E36 L37 D38 E42 T43 I44 Q68	E36-L40 WeakPolarHBondContact O-CB 3.38Å; E36-L40 PolarHBondContact O-N 2.93Å; L37-L40 WeakPolarHBondContact O-CB 3.48Å; L37-L40 PolarHBondContact O-N 3.41Å; D38-L40 VanDerWaalsContact C-N 3.35Å; L40-E42 VanDerWaalsContact C-N 3.33Å; L40-E42 PolarHBondContact O-N 3.2Å; L40-T43 WeakPolarHBondContact O-CB 3.34Å; L40-T43 PolarHBondContact O-N 3.41Å; L40-I44 HydrophobicContact CD1-CD1 4.05Å; L40-I44 HydrophobicContact CD1-CG1 4.28Å; L40-I44 HydrophobicContact CG-CD1 4.05Å; L40-I44 WeakPolarHBondContact O-CG1 3.49Å; L40-I44 PolarHBondContact O-N 2.89Å; L40-Q68 HydrophobicContact CD1-CG 3.33Å
41	L	91.1	Very high	89.2	Confident	97 Å²	97	88.7 Å²	88.7	51%	0.508	41%	0.412	S	S	.	.	H	α-helix	trans	-60.8	-42.7	175.9	-73.1	170.2	0	0	0	111.3	L37 D38 T43 I44 D45	L37-L41 WeakPolarHBondContact O-CB 3.48Å; L37-L41 VanDerWaalsContact O-CG 3.28Å; L37-L41 WeakPolarHBondContact O-CG 3.33Å; L37-L41 PolarHBondContact O-N 3.42Å; D38-L41 PolarHBondContact O-N 3.38Å; L41-T43 VanDerWaalsContact C-N 3.32Å; L41-T43 PolarHBondContact O-N 3.26Å; L41-I44 PolarHBondContact O-N 3.06Å; L41-D45 WeakPolarHBondContact O-CB 3.35Å; L41-D45 PolarHBondContact O-N 2.91Å
42	E	91.5	Very high	89.3	Confident	102 Å²	102	92.3 Å²	92.3	48%	0.477	43%	0.427	S	S	.	.	H	α-helix	trans	-60.7	-42	175.1	-169.7	-169.1	156.4	0	0	111.8	D38 Q39 L40 D45 K46	D38-E42 PolarHBondContact O-N 2.91Å; Q39-E42 PolarHBondContact O-N 3.41Å; L40-E42 VanDerWaalsContact C-N 3.33Å; L40-E42 PolarHBondContact O-N 3.2Å; E42-D45 PolarHBondContact O-N 3.23Å; E42-K46 WeakPolarHBondContact O-CB 3.47Å; E42-K46 WeakPolarHBondContact O-CG 3.49Å; E42-K46 PolarHBondContact O-N 3.47Å; E42-K46 WeakPolarHBondContact OE1-CE 3.47Å; E42-K46 IonicContact OE1-NZ 2.68Å; E42-K46 PolarHBondContact OE1-NZ 2.97Å
43	T	87.2	Confident	89.7	Confident	38 Å²	38	90.7 Å²	90.7	23%	0.233	44%	0.437	C	S	.	.	H	α-helix	trans	-63.6	-43.4	177.6	-58	0	0	0	0	111	Q39 L40 L41 K46 T47 A65	Q39-T43 PolarHBondContact O-N 3.47Å; Q39-T43 PolarHBondContact O-OG1 2.87Å; L40-T43 WeakPolarHBondContact O-CB 3.34Å; L40-T43 PolarHBondContact O-N 3.41Å; L41-T43 VanDerWaalsContact C-N 3.32Å; L41-T43 PolarHBondContact O-N 3.26Å; T43-K46 PolarHBondContact O-N 2.96Å; T43-T47 WeakPolarHBondContact O-CB 3.37Å; T43-T47 PolarHBondContact O-N 3.39Å; T43-T47 PolarHBondContact O-OG1 3.3Å; T43-A65 HydrophobicContact CG2-CB 4.38Å
44	I	88.9	Confident	90.4	Very high	77 Å²	77	92 Å²	92	40%	0.395	45%	0.445	S	S	.	.	H	α-helix	trans	-62	-48.1	175.9	-70	167.5	0	0	0	110.5	L40 L41 K46 T47 L48	L40-I44 HydrophobicContact CD1-CD1 4.05Å; L40-I44 HydrophobicContact CD1-CG1 4.28Å; L40-I44 HydrophobicContact CG-CD1 4.05Å; L40-I44 WeakPolarHBondContact O-CG1 3.49Å; L40-I44 PolarHBondContact O-N 2.89Å; L41-I44 PolarHBondContact O-N 3.06Å; I44-K46 VanDerWaalsContact C-N 3.34Å; I44-K46 PolarHBondContact O-N 3.41Å; I44-T47 PolarHBondContact O-N 3.48Å; I44-L48 HydrophobicContact CG2-CD1 3.91Å; I44-L48 HydrophobicContact CG2-CG 4.31Å; I44-L48 WeakPolarHBondContact O-CB 3.12Å; I44-L48 WeakPolarHBondContact O-CG 3.21Å; I44-L48 PolarHBondContact O-N 3.03Å
45	D	93	Very high	90.5	Very high	97 Å²	97	87.2 Å²	87.2	52%	0.519	43%	0.429	S	S	.	.	H	α-helix	trans	-60.4	-43.4	179.6	-78.4	-20.7	0	0	0	111.6	L41 E42 L48 R49	L41-D45 WeakPolarHBondContact O-CB 3.35Å; L41-D45 PolarHBondContact O-N 2.91Å; E42-D45 PolarHBondContact O-N 3.23Å; D45-L48 PolarHBondContact O-N 3.36Å; D45-R49 VanDerWaalsContact O-CG 3.23Å; D45-R49 WeakPolarHBondContact O-CG 3.5Å; D45-R49 PolarHBondContact O-N 2.88Å
46	K	91.4	Very high	90.8	Very high	60 Å²	60	89.3 Å²	89.3	26%	0.261	44%	0.443	S	S	.	.	H	α-helix	trans	-62.1	-47.4	174.1	-77.1	-179.3	-179.2	175.4	0	111.9	E42 T43 I44 L48 R49 Y50 I55 E61	E42-K46 WeakPolarHBondContact O-CB 3.47Å; E42-K46 WeakPolarHBondContact O-CG 3.49Å; E42-K46 PolarHBondContact O-N 3.47Å; E42-K46 WeakPolarHBondContact OE1-CE 3.47Å; E42-K46 IonicContact OE1-NZ 2.68Å; E42-K46 PolarHBondContact OE1-NZ 2.97Å; T43-K46 PolarHBondContact O-N 2.96Å; I44-K46 VanDerWaalsContact C-N 3.34Å; I44-K46 PolarHBondContact O-N 3.41Å; K46-L48 VanDerWaalsContact C-N 3.32Å; K46-L48 PolarHBondContact O-N 2.99Å; K46-R49 PolarHBondContact O-N 3.33Å; K46-Y50 WeakPolarHBondContact O-CB 3.42Å; K46-Y50 PolarHBondContact O-N 3.2Å; K46-I55 HydrophobicContact CB-CD1 4.07Å; K46-I55 HydrophobicContact CG-CD1 4.27Å; K46-I55 WeakPolarHBondContact O-CD1 3.48Å; K46-E61 IonicContact NZ-OE1 2.89Å; K46-E61 PolarHBondContact NZ-OE1 3.32Å
47	T	88.7	Confident	91.1	Very high	28 Å²	28	86.7 Å²	86.7	17%	0.172	43%	0.43	C	S	.	.	H	α-helix	trans	-60.2	-41.8	178.1	-65.7	0	0	0	0	111.4	T43 I44 Y50 Y51 A65	T43-T47 WeakPolarHBondContact O-CB 3.37Å; T43-T47 PolarHBondContact O-N 3.39Å; T43-T47 PolarHBondContact O-OG1 3.3Å; I44-T47 PolarHBondContact O-N 3.48Å; T47-Y50 WeakPolarHBondContact O-CB 3.44Å; T47-Y50 PolarHBondContact O-N 3Å; T47-Y51 HydrophobicContact CG2-CD2 3.69Å; T47-Y51 HydrophobicContact CG2-CE2 3.5Å; T47-Y51 WeakPolarHBondContact O-CD2 3.41Å; T47-Y51 PolarHBondContact O-N 2.93Å; T47-A65 WeakPolarHBondContact OG1-CB 3.49Å
48	L	92.4	Very high	91.4	Very high	87 Å²	87	87 Å²	87	46%	0.455	44%	0.435	S	S	.	.	H	α-helix	trans	-62.2	-44.3	175.2	-73.6	172.7	0	0	0	112	I44 D45 K46 Y50 Y51 K52	I44-L48 HydrophobicContact CG2-CD1 3.91Å; I44-L48 HydrophobicContact CG2-CG 4.31Å; I44-L48 WeakPolarHBondContact O-CB 3.12Å; I44-L48 WeakPolarHBondContact O-CG 3.21Å; I44-L48 PolarHBondContact O-N 3.03Å; D45-L48 PolarHBondContact O-N 3.36Å; K46-L48 VanDerWaalsContact C-N 3.32Å; K46-L48 PolarHBondContact O-N 2.99Å; L48-Y50 VanDerWaalsContact C-N 3.34Å; L48-Y51 PolarHBondContact O-N 2.94Å; L48-K52 WeakPolarHBondContact O-CG 3.19Å; L48-K52 PolarHBondContact O-N 3.3Å
49	R	95.8	Very high	91.4	Very high	115 Å²	115	88.2 Å²	88.2	43%	0.434	44%	0.442	S	S	.	.	H	α-helix	trans	-65.1	-37.8	176.9	-69	177.1	65	-159.8	-3.7	112.1	D45 K46 K52 G53 E54 I55	D45-R49 VanDerWaalsContact O-CG 3.23Å; D45-R49 WeakPolarHBondContact O-CG 3.5Å; D45-R49 PolarHBondContact O-N 2.88Å; K46-R49 PolarHBondContact O-N 3.33Å; R49-K52 PolarHBondContact O-N 2.83Å; R49-G53 PolarHBondContact O-N 3.38Å; R49-E54 HydrophobicContact CB-CB 4.19Å; R49-E54 VanDerWaalsContact CG-OE2 3.31Å; R49-E54 WeakPolarHBondContact CG-OE2 3.39Å; R49-E54 IonicContact NE-OE2 3.78Å; R49-E54 PolarHBondContact NE-OE2 3.45Å; R49-E54 WeakPolarHBondContact O-CB 3.33Å; R49-E54 PolarHBondContact O-N 2.87Å; R49-I55 HydrophobicContact CB-CD1 4.08Å; R49-I55 HydrophobicContact CB-CG1 3.94Å; R49-I55 HydrophobicContact CB-CG2 4.3Å; R49-I55 VanDerWaalsContact NH2-CG2 3.27Å
50	Y	91.3	Very high	91.7	Very high	83 Å²	83	89.1 Å²	89.1	33%	0.325	44%	0.444	S	S	.	.	H	α-helix	trans	-61.2	-47.8	173.7	168.3	-103.9	0	0	0	111.5	K46 T47 L48 K52 G53 M57	K46-Y50 WeakPolarHBondContact O-CB 3.42Å; K46-Y50 PolarHBondContact O-N 3.2Å; T47-Y50 WeakPolarHBondContact O-CB 3.44Å; T47-Y50 PolarHBondContact O-N 3Å; L48-Y50 VanDerWaalsContact C-N 3.34Å; Y50-K52 VanDerWaalsContact C-N 3.25Å; Y50-K52 PolarHBondContact O-N 2.81Å; Y50-G53 WeakPolarHBondContact O-CA 3.13Å; Y50-G53 PolarHBondContact O-N 2.96Å; Y50-M57 WeakPolarHBondContact CB-SD 3.47Å; Y50-M57 HydrophobicContact CD1-SD 4.05Å; Y50-M57 HydrophobicContact CD2-CB 4.29Å; Y50-M57 HydrophobicContact CD2-CG 4.12Å; Y50-M57 HydrophobicContact CD2-SD 4.32Å; Y50-M57 HydrophobicContact CG-CG 4.03Å; Y50-M57 HydrophobicContact CG-SD 3.69Å
51	Y	89.3	Confident	91.9	Very high	176 Å²	176	89.5 Å²	89.5	69%	0.69	44%	0.444	S	S	*	.	H	α-helix	trans	-66.1	-26.1	177.3	-80.1	-62.5	0	0	0	113.6	T47 L48 G53	T47-Y51 HydrophobicContact CG2-CD2 3.69Å; T47-Y51 HydrophobicContact CG2-CE2 3.5Å; T47-Y51 WeakPolarHBondContact O-CD2 3.41Å; T47-Y51 PolarHBondContact O-N 2.93Å; L48-Y51 PolarHBondContact O-N 2.94Å; Y51-G53 PolarHBondContact O-N 3.03Å
52	K	95.3	Very high	91.9	Very high	146 Å²	146	88.8 Å²	88.8	64%	0.635	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-4.3	170	-69.4	175	-175.4	177.2	0	113.8	L48 R49 Y50 E54	L48-K52 WeakPolarHBondContact O-CG 3.19Å; L48-K52 PolarHBondContact O-N 3.3Å; R49-K52 PolarHBondContact O-N 2.83Å; Y50-K52 VanDerWaalsContact C-N 3.25Å; Y50-K52 PolarHBondContact O-N 2.81Å; K52-E54 VanDerWaalsContact C-N 3.27Å; K52-E54 HydrophobicContact CB-CG 3.86Å; K52-E54 WeakPolarHBondContact CD-OE1 3.44Å; K52-E54 PolarHBondContact O-N 3.42Å
53	G	93.2	Very high	92.1	Very high	67 Å²	67	84.7 Å²	84.7	69%	0.691	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	15.1	-176.6	0	0	0	0	0	114.2	R49 Y50 Y51	R49-G53 PolarHBondContact O-N 3.38Å; Y50-G53 WeakPolarHBondContact O-CA 3.13Å; Y50-G53 PolarHBondContact O-N 2.96Å; Y51-G53 PolarHBondContact O-N 3.03Å
54	E	96.2	Very high	92.3	Very high	109 Å²	109	85.6 Å²	85.6	51%	0.509	42%	0.419	S	S	.	.	S	Bend	trans	-82.5	-25.5	-177	-61.6	173.7	-164.5	0	0	112.8	R49 K52	R49-E54 HydrophobicContact CB-CB 4.19Å; R49-E54 VanDerWaalsContact CG-OE2 3.31Å; R49-E54 WeakPolarHBondContact CG-OE2 3.39Å; R49-E54 IonicContact NE-OE2 3.78Å; R49-E54 PolarHBondContact NE-OE2 3.45Å; R49-E54 WeakPolarHBondContact O-CB 3.33Å; R49-E54 PolarHBondContact O-N 2.87Å; K52-E54 VanDerWaalsContact C-N 3.27Å; K52-E54 HydrophobicContact CB-CG 3.86Å; K52-E54 WeakPolarHBondContact CD-OE1 3.44Å; K52-E54 PolarHBondContact O-N 3.42Å
55	I	93.8	Very high	92.4	Very high	40 Å²	40	82.9 Å²	82.9	21%	0.205	41%	0.408	C	S	.	.			trans	-138.2	161.2	179.7	68.4	169.6	0	0	0	111.6	K46 R49 M57	K46-I55 HydrophobicContact CB-CD1 4.07Å; K46-I55 HydrophobicContact CG-CD1 4.27Å; K46-I55 WeakPolarHBondContact O-CD1 3.48Å; R49-I55 HydrophobicContact CB-CD1 4.08Å; R49-I55 HydrophobicContact CB-CG1 3.94Å; R49-I55 HydrophobicContact CB-CG2 4.3Å; R49-I55 VanDerWaalsContact NH2-CG2 3.27Å; I55-M57 HydrophobicContact CD1-CG 4.22Å
56	I	93.3	Very high	92.5	Very high	157 Å²	157	80.9 Å²	80.9	81%	0.805	40%	0.395	S	S	*	.			trans	-104.8	126.5	166.2	-59.5	173.9	0	0	0	107.4
57	M	90	Very high	92.6	Very high	9 Å²	9	78.2 Å²	78.2	4%	0.044	38%	0.383	C	S	.	.			trans	-89.4	141.2	172.7	-70.3	173.4	77.7	0	0	110.9	Y50 I55 E61 K62 A65	Y50-M57 WeakPolarHBondContact CB-SD 3.47Å; Y50-M57 HydrophobicContact CD1-SD 4.05Å; Y50-M57 HydrophobicContact CD2-CB 4.29Å; Y50-M57 HydrophobicContact CD2-CG 4.12Å; Y50-M57 HydrophobicContact CD2-SD 4.32Å; Y50-M57 HydrophobicContact CG-CG 4.03Å; Y50-M57 HydrophobicContact CG-SD 3.69Å; I55-M57 HydrophobicContact CD1-CG 4.22Å; M57-E61 HydrophobicContact CB-CB 4.14Å; M57-E61 HydrophobicContact CE-CB 3.69Å; M57-E61 WeakPolarHBondContact CE-O 3.35Å; M57-E61 HydrophobicContact CG-CB 4.44Å; M57-K62 HydrophobicContact CB-CG 3.86Å; M57-K62 WeakPolarHBondContact O-CE 3.5Å; M57-A65 HydrophobicContact CE-CB 4.16Å
58	T	93.5	Very high	92.7	Very high	78 Å²	78	78.8 Å²	78.8	48%	0.479	38%	0.384	S	S	.	.			trans	-67.7	162.1	168.7	62.3	0	0	0	0	111.2	K60 E61 K62	T58-K60 PolarHBondContact O-N 2.92Å; T58-E61 PolarHBondContact N-OE2 3.16Å; T58-E61 PolarHBondContact O-N 2.88Å; T58-E61 VanDerWaalsContact OG1-CG 3.29Å; T58-E61 WeakPolarHBondContact OG1-CG 3.28Å; T58-E61 PolarHBondContact OG1-N 2.88Å; T58-E61 PolarHBondContact OG1-OE2 2.84Å; T58-K62 WeakPolarHBondContact O-CG 3.33Å; T58-K62 PolarHBondContact O-N 3.37Å
59	N	92	Very high	92.7	Very high	113 Å²	113	79.6 Å²	79.6	60%	0.604	39%	0.386	S	S	*	.	H	α-helix	trans	-58.4	-39.4	174.7	-70.8	-5.4	0	0	0	111.8	E61 K62 F63	N59-E61 PolarHBondContact O-N 2.82Å; N59-K62 PolarHBondContact O-N 3.42Å; N59-F63 WeakPolarHBondContact O-CB 2.99Å; N59-F63 PolarHBondContact O-N 3.41Å
60	K	92.1	Very high	92.7	Very high	147 Å²	147	77.6 Å²	77.6	64%	0.639	38%	0.38	S	S	*	.	H	α-helix	trans	-57.6	-50.9	174.6	-175.5	-177.7	177.6	-175.4	0	111.3	T58 K62 F63 E64	T58-K60 PolarHBondContact O-N 2.92Å; K60-K62 VanDerWaalsContact C-N 3.33Å; K60-K62 PolarHBondContact O-N 2.97Å; K60-F63 PolarHBondContact O-N 2.93Å; K60-F63 VanDerWaalsContact O-N 3.16Å; K60-E64 WeakPolarHBondContact O-CG 3.29Å; K60-E64 PolarHBondContact O-N 3.1Å
61	E	90.7	Very high	92.8	Very high	53 Å²	53	74.9 Å²	74.9	25%	0.248	37%	0.371	C	S	.	.	H	α-helix	trans	-63.9	-38	179.5	-71	167.3	131.9	0	0	112.2	K46 M57 T58 N59 F63 E64 A65	K46-E61 IonicContact NZ-OE1 2.89Å; K46-E61 PolarHBondContact NZ-OE1 3.32Å; M57-E61 HydrophobicContact CB-CB 4.14Å; M57-E61 HydrophobicContact CE-CB 3.69Å; M57-E61 WeakPolarHBondContact CE-O 3.35Å; M57-E61 HydrophobicContact CG-CB 4.44Å; T58-E61 PolarHBondContact N-OE2 3.16Å; T58-E61 PolarHBondContact O-N 2.88Å; T58-E61 VanDerWaalsContact OG1-CG 3.29Å; T58-E61 WeakPolarHBondContact OG1-CG 3.28Å; T58-E61 PolarHBondContact OG1-N 2.88Å; T58-E61 PolarHBondContact OG1-OE2 2.84Å; N59-E61 PolarHBondContact O-N 2.82Å; E61-F63 VanDerWaalsContact C-N 3.31Å; E61-F63 PolarHBondContact O-N 2.79Å; E61-E64 PolarHBondContact O-N 3.18Å; E61-A65 PolarHBondContact O-N 3.38Å
62	K	91.4	Very high	92.9	Very high	82 Å²	82	70.2 Å²	70.2	36%	0.357	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-39.5	173.8	-70.7	176.8	-179	179.9	0	111.7	M57 T58 N59 K60 A65 F66	M57-K62 HydrophobicContact CB-CG 3.86Å; M57-K62 WeakPolarHBondContact O-CE 3.5Å; T58-K62 WeakPolarHBondContact O-CG 3.33Å; T58-K62 PolarHBondContact O-N 3.37Å; N59-K62 PolarHBondContact O-N 3.42Å; K60-K62 VanDerWaalsContact C-N 3.33Å; K60-K62 PolarHBondContact O-N 2.97Å; K62-A65 PolarHBondContact O-N 3.24Å; K62-F66 WeakPolarHBondContact O-CB 3.37Å; K62-F66 PolarHBondContact O-N 2.89Å
63	F	94.3	Very high	92.9	Very high	17 Å²	17	67.5 Å²	67.5	8%	0.075	35%	0.351	C	S	.	.	H	α-helix	trans	-68.1	-38.7	177.7	-174.3	-112.4	0	0	0	112.2	N59 K60 E61 F66 K67 E103 Y106	N59-F63 WeakPolarHBondContact O-CB 2.99Å; N59-F63 PolarHBondContact O-N 3.41Å; K60-F63 PolarHBondContact O-N 2.93Å; K60-F63 VanDerWaalsContact O-N 3.16Å; E61-F63 VanDerWaalsContact C-N 3.31Å; E61-F63 PolarHBondContact O-N 2.79Å; F63-F66 AromaticContact CD2-CD1 3.94Å; F63-F66 HydrophobicContact CD2-CD1 3.94Å; F63-F66 AromaticContact CE2-CD1 3.86Å; F63-F66 HydrophobicContact CE2-CD1 3.86Å; F63-F66 HydrophobicContact CE2-CE1 4.16Å; F63-F66 WeakPolarHBondContact O-CB 3.28Å; F63-F66 PolarHBondContact O-N 3.47Å; F63-K67 HydrophobicContact CD1-CD 4.17Å; F63-K67 HydrophobicContact CD1-CG 4.49Å; F63-K67 HydrophobicContact CE1-CD 3.58Å; F63-K67 HydrophobicContact CE1-CG 4.05Å; F63-K67 HydrophobicContact CE2-CG 4.36Å; F63-K67 HydrophobicContact CZ-CD 3.88Å; F63-K67 HydrophobicContact CZ-CG 3.96Å; F63-K67 WeakPolarHBondContact O-CG 3.45Å; F63-K67 PolarHBondContact O-N 2.9Å; F63-E103 HydrophobicContact CD1-CB 3.89Å; F63-E103 HydrophobicContact CD1-CG 4.45Å; F63-E103 HydrophobicContact CD2-CB 4.48Å; F63-E103 HydrophobicContact CD2-CG 4.2Å; F63-E103 HydrophobicContact CE1-CB 3.95Å; F63-E103 HydrophobicContact CE2-CG 4.41Å; F63-E103 HydrophobicContact CG-CB 4.17Å; F63-E103 HydrophobicContact CG-CG 4.23Å; F63-E103 HydrophobicContact CZ-CB 4.31Å; F63-Y106 AromaticContact CE2-CD1 3.68Å; F63-Y106 HydrophobicContact CE2-CD1 3.68Å; F63-Y106 HydrophobicContact CE2-CE1 4.31Å; F63-Y106 AromaticContact CE2-CG 3.86Å; F63-Y106 HydrophobicContact CE2-CG 3.86Å; F63-Y106 HydrophobicContact CZ-CD1 4.15Å; F63-Y106 AromaticContact CZ-CG 3.86Å; F63-Y106 HydrophobicContact CZ-CG 3.86Å
64	E	91.7	Very high	93.1	Very high	57 Å²	57	67 Å²	67	27%	0.266	33%	0.332	S	S	.	.	H	α-helix	trans	-61.7	-45.1	171.4	-64.4	-50.4	141.1	0	0	111.7	K60 E61 F66 K67 Q68	K60-E64 WeakPolarHBondContact O-CG 3.29Å; K60-E64 PolarHBondContact O-N 3.1Å; E61-E64 PolarHBondContact O-N 3.18Å; E64-F66 VanDerWaalsContact C-N 3.33Å; E64-F66 PolarHBondContact O-N 2.83Å; E64-K67 VanDerWaalsContact CD-CE 3.45Å; E64-K67 PolarHBondContact O-N 2.64Å; E64-K67 WeakPolarHBondContact OE1-CE 3.23Å; E64-K67 IonicContact OE1-NZ 3.09Å; E64-K67 PolarHBondContact OE1-NZ 2.75Å; E64-K67 WeakPolarHBondContact OE2-CE 3.46Å; E64-K67 IonicContact OE2-NZ 3.27Å; E64-K67 PolarHBondContact OE2-NZ 3.42Å; E64-Q68 WeakPolarHBondContact O-CB 3.48Å; E64-Q68 PolarHBondContact O-N 3.3Å
65	A	91.1	Very high	93	Very high	20 Å²	20	65.3 Å²	65.3	17%	0.165	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-41.2	175.2	0	0	0	0	0	112.3	T43 T47 M57 E61 K62 Q68 E69	T43-A65 HydrophobicContact CG2-CB 4.38Å; T47-A65 WeakPolarHBondContact OG1-CB 3.49Å; M57-A65 HydrophobicContact CE-CB 4.16Å; E61-A65 PolarHBondContact O-N 3.38Å; K62-A65 PolarHBondContact O-N 3.24Å; A65-Q68 PolarHBondContact O-N 2.81Å; A65-E69 WeakPolarHBondContact O-CB 3.44Å; A65-E69 PolarHBondContact O-N 3.42Å
66	F	94.1	Very high	93.1	Very high	55 Å²	55	67.8 Å²	67.8	24%	0.241	35%	0.35	C	S	.	.	H	α-helix	trans	-61.1	-48	174.7	164.2	-98.9	0	0	0	112.3	K62 F63 E64 Q68 E69 K70 W98 Y106	K62-F66 WeakPolarHBondContact O-CB 3.37Å; K62-F66 PolarHBondContact O-N 2.89Å; F63-F66 AromaticContact CD2-CD1 3.94Å; F63-F66 HydrophobicContact CD2-CD1 3.94Å; F63-F66 AromaticContact CE2-CD1 3.86Å; F63-F66 HydrophobicContact CE2-CD1 3.86Å; F63-F66 HydrophobicContact CE2-CE1 4.16Å; F63-F66 WeakPolarHBondContact O-CB 3.28Å; F63-F66 PolarHBondContact O-N 3.47Å; E64-F66 VanDerWaalsContact C-N 3.33Å; E64-F66 PolarHBondContact O-N 2.83Å; F66-Q68 PolarHBondContact O-N 3.49Å; F66-E69 PolarHBondContact O-N 3.27Å; F66-K70 HydrophobicContact CD2-CG 4.29Å; F66-K70 HydrophobicContact CE1-CG 4.33Å; F66-K70 HydrophobicContact CE2-CD 4.23Å; F66-K70 HydrophobicContact CE2-CG 3.78Å; F66-K70 HydrophobicContact CZ-CD 4.4Å; F66-K70 HydrophobicContact CZ-CG 3.79Å; F66-K70 WeakPolarHBondContact O-CG 3.47Å; F66-K70 PolarHBondContact O-N 3.36Å; F66-W98 HydrophobicContact CE1-CH2 4.35Å; F66-W98 HydrophobicContact CE1-CZ2 4.23Å; F66-Y106 HydrophobicContact CE1-CE1 4.01Å; F66-Y106 HydrophobicContact CE1-CE2 4.07Å; F66-Y106 AromaticContact CE1-CZ 3.67Å; F66-Y106 HydrophobicContact CZ-CE1 4.34Å; F66-Y106 HydrophobicContact CZ-CE2 4.39Å; F66-Y106 AromaticContact CZ-CZ 3.78Å; F66-Y106 VanDerWaalsContact CZ-OH 3.31Å; F66-Y106 WeakPolarHBondContact CZ-OH 3.47Å
67	K	94.5	Very high	93.2	Very high	3 Å²	3	67.3 Å²	67.3	1%	0.013	34%	0.343	C	S	.	.	H	α-helix	trans	-59.1	-40.7	176.8	-76.5	-174.5	-67	179.3	0	111.1	F63 E64 K70 L71 W98 Q99 M101	F63-K67 HydrophobicContact CD1-CD 4.17Å; F63-K67 HydrophobicContact CD1-CG 4.49Å; F63-K67 HydrophobicContact CE1-CD 3.58Å; F63-K67 HydrophobicContact CE1-CG 4.05Å; F63-K67 HydrophobicContact CE2-CG 4.36Å; F63-K67 HydrophobicContact CZ-CD 3.88Å; F63-K67 HydrophobicContact CZ-CG 3.96Å; F63-K67 WeakPolarHBondContact O-CG 3.45Å; F63-K67 PolarHBondContact O-N 2.9Å; E64-K67 VanDerWaalsContact CD-CE 3.45Å; E64-K67 PolarHBondContact O-N 2.64Å; E64-K67 WeakPolarHBondContact OE1-CE 3.23Å; E64-K67 IonicContact OE1-NZ 3.09Å; E64-K67 PolarHBondContact OE1-NZ 2.75Å; E64-K67 WeakPolarHBondContact OE2-CE 3.46Å; E64-K67 IonicContact OE2-NZ 3.27Å; E64-K67 PolarHBondContact OE2-NZ 3.42Å; K67-K70 PolarHBondContact O-N 3Å; K67-L71 PolarHBondContact O-N 3.08Å; K67-W98 HydrophobicContact CB-CZ2 4.41Å; K67-W98 WeakPolarHBondContact CD-O 3.49Å; K67-W98 HydrophobicContact CG-CZ2 4.05Å; K67-W98 PolarHBondContact O-NE1 2.99Å; K67-Q99 PolarHBondContact NZ-O 2.94Å; K67-M101 PolarHBondContact NZ-O 3.42Å; K67-M101 VanDerWaalsContact NZ-O 3.1Å
68	Q	91.7	Very high	93.5	Very high	41 Å²	41	70 Å²	70	19%	0.192	35%	0.353	C	S	.	.	H	α-helix	trans	-67.2	-41.2	178.2	-175.3	55.5	40.8	0	0	113.2	L40 E64 A65 F66 K70 L71 T72	L40-Q68 HydrophobicContact CD1-CG 3.33Å; E64-Q68 WeakPolarHBondContact O-CB 3.48Å; E64-Q68 PolarHBondContact O-N 3.3Å; A65-Q68 PolarHBondContact O-N 2.81Å; F66-Q68 PolarHBondContact O-N 3.49Å; Q68-K70 VanDerWaalsContact C-N 3.33Å; Q68-K70 PolarHBondContact O-N 2.89Å; Q68-L71 PolarHBondContact O-N 3.4Å; Q68-T72 PolarHBondContact NE2-OG1 3.01Å; Q68-T72 PolarHBondContact O-N 2.99Å; Q68-T72 PolarHBondContact O-OG1 3.42Å
69	E	91.7	Very high	93.6	Very high	104 Å²	104	66.3 Å²	66.3	49%	0.486	33%	0.33	S	S	.	.	H	α-helix	trans	-57.6	-48.1	173.3	-178.6	178.6	-157.8	0	0	110.2	A65 F66 L71 T72 E73	A65-E69 WeakPolarHBondContact O-CB 3.44Å; A65-E69 PolarHBondContact O-N 3.42Å; F66-E69 PolarHBondContact O-N 3.27Å; E69-L71 PolarHBondContact O-N 2.9Å; E69-T72 WeakPolarHBondContact O-CB 3.4Å; E69-T72 PolarHBondContact O-N 3.34Å; E69-T72 VanDerWaalsContact O-N 3.08Å; E69-E73 WeakPolarHBondContact O-CG 3.47Å; E69-E73 PolarHBondContact O-N 3.33Å
70	K	95.5	Very high	93.8	Very high	73 Å²	73	67.8 Å²	67.8	32%	0.317	33%	0.334	S	S	.	.	H	α-helix	trans	-63.7	-37.7	178.5	-66.6	-68	158	-136.7	0	113.8	F66 K67 Q68 T72 E73 N74 W98	F66-K70 HydrophobicContact CD2-CG 4.29Å; F66-K70 HydrophobicContact CE1-CG 4.33Å; F66-K70 HydrophobicContact CE2-CD 4.23Å; F66-K70 HydrophobicContact CE2-CG 3.78Å; F66-K70 HydrophobicContact CZ-CD 4.4Å; F66-K70 HydrophobicContact CZ-CG 3.79Å; F66-K70 WeakPolarHBondContact O-CG 3.47Å; F66-K70 PolarHBondContact O-N 3.36Å; K67-K70 PolarHBondContact O-N 3Å; Q68-K70 VanDerWaalsContact C-N 3.33Å; Q68-K70 PolarHBondContact O-N 2.89Å; K70-T72 VanDerWaalsContact C-N 3.34Å; K70-E73 IonicContact NZ-OE1 2.71Å; K70-E73 PolarHBondContact NZ-OE1 2.89Å; K70-E73 IonicContact NZ-OE2 3.03Å; K70-E73 PolarHBondContact NZ-OE2 3.38Å; K70-N74 WeakPolarHBondContact O-CB 3.47Å; K70-N74 PolarHBondContact O-N 3.01Å; K70-W98 HydrophobicContact CB-CZ2 3.81Å; K70-W98 HydrophobicContact CG-CZ2 4.21Å
71	L	94.3	Very high	93.9	Very high	25 Å²	25	64.3 Å²	64.3	13%	0.131	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-43.1	171.2	-79.8	-163.8	0	0	0	112.1	K67 Q68 E69 N74 E75 N95 W98 Q99	K67-L71 PolarHBondContact O-N 3.08Å; Q68-L71 PolarHBondContact O-N 3.4Å; E69-L71 PolarHBondContact O-N 2.9Å; L71-N74 PolarHBondContact O-N 3.33Å; L71-E75 VanDerWaalsContact O-CB 3.23Å; L71-E75 WeakPolarHBondContact O-CB 3.42Å; L71-E75 PolarHBondContact O-N 3.39Å; L71-N95 HydrophobicContact CD1-CB 4.18Å; L71-N95 HydrophobicContact CD2-CB 4.22Å; L71-W98 HydrophobicContact CD2-CB 4.27Å; L71-W98 HydrophobicContact CD2-CG 3.97Å; L71-W98 VanDerWaalsContact CG-CD1 3.43Å; L71-W98 HydrophobicContact CG-CG 4.45Å; L71-Q99 HydrophobicContact CD1-CG 3.56Å
72	T	91.2	Very high	94.1	Very high	79 Å²	79	63.4 Å²	63.4	49%	0.485	32%	0.316	S	S	.	.	H	α-helix	trans	-65.4	-42.4	-178.3	-53.7	0	0	0	0	110.9	Q68 E69 K70 E75 A76	Q68-T72 PolarHBondContact NE2-OG1 3.01Å; Q68-T72 PolarHBondContact O-N 2.99Å; Q68-T72 PolarHBondContact O-OG1 3.42Å; E69-T72 WeakPolarHBondContact O-CB 3.4Å; E69-T72 PolarHBondContact O-N 3.34Å; E69-T72 VanDerWaalsContact O-N 3.08Å; K70-T72 VanDerWaalsContact C-N 3.34Å; T72-E75 PolarHBondContact O-N 2.97Å; T72-A76 WeakPolarHBondContact O-CB 3.36Å; T72-A76 PolarHBondContact O-N 2.87Å
73	E	95.4	Very high	94.3	Very high	88 Å²	88	62.8 Å²	62.8	41%	0.411	31%	0.312	S	S	.	.	H	α-helix	trans	-60.3	-46.8	172.9	-71.7	174	-159.8	0	0	111.7	E69 K70 A76 K77	E69-E73 WeakPolarHBondContact O-CG 3.47Å; E69-E73 PolarHBondContact O-N 3.33Å; K70-E73 IonicContact NZ-OE1 2.71Å; K70-E73 PolarHBondContact NZ-OE1 2.89Å; K70-E73 IonicContact NZ-OE2 3.03Å; K70-E73 PolarHBondContact NZ-OE2 3.38Å; E73-A76 PolarHBondContact O-N 3.43Å; E73-K77 WeakPolarHBondContact O-CB 3.26Å; E73-K77 PolarHBondContact O-N 3.29Å
74	N	96.2	Very high	94.4	Very high	57 Å²	57	68.7 Å²	68.7	31%	0.305	34%	0.34	S	S	.	.	H	α-helix	trans	-64.1	-42.4	179.2	-177.5	78.3	0	0	0	112	K70 L71 K77 Y78 G79	K70-N74 WeakPolarHBondContact O-CB 3.47Å; K70-N74 PolarHBondContact O-N 3.01Å; L71-N74 PolarHBondContact O-N 3.33Å; N74-K77 PolarHBondContact O-N 2.94Å; N74-Y78 PolarHBondContact O-N 2.87Å; N74-Y78 WeakPolarHBondContact OD1-CD2 3.35Å; N74-G79 PolarHBondContact O-N 3.31Å
75	E	95	Very high	94.5	Very high	74 Å²	74	71.3 Å²	71.3	35%	0.346	35%	0.35	S	S	.	.	H	α-helix	trans	-61.5	-46.4	176.8	-179.5	57.9	-142.5	0	0	111.2	L71 T72 K77 G79 R83	L71-E75 VanDerWaalsContact O-CB 3.23Å; L71-E75 WeakPolarHBondContact O-CB 3.42Å; L71-E75 PolarHBondContact O-N 3.39Å; T72-E75 PolarHBondContact O-N 2.97Å; E75-K77 VanDerWaalsContact C-N 3.31Å; E75-K77 PolarHBondContact O-N 3.49Å; E75-G79 VanDerWaalsContact O-CA 3.28Å; E75-G79 WeakPolarHBondContact O-CA 3.37Å; E75-G79 PolarHBondContact O-N 3.16Å; E75-R83 VanDerWaalsContact CD-NH1 3.3Å; E75-R83 VanDerWaalsContact CD-NH2 3.26Å; E75-R83 IonicContact OE1-CZ 3.9Å; E75-R83 VanDerWaalsContact OE1-CZ 3.28Å; E75-R83 IonicContact OE1-NH1 3.95Å; E75-R83 PolarHBondContact OE1-NH1 3.45Å; E75-R83 IonicContact OE1-NH2 3.42Å; E75-R83 PolarHBondContact OE1-NH2 2.85Å; E75-R83 VanDerWaalsContact OE1-NH2 3.1Å; E75-R83 IonicContact OE2-CZ 3.3Å; E75-R83 IonicContact OE2-NH1 3.28Å; E75-R83 PolarHBondContact OE2-NH1 2.96Å; E75-R83 IonicContact OE2-NH2 2.81Å; E75-R83 PolarHBondContact OE2-NH2 2.81Å
76	A	94.8	Very high	94.6	Very high	91 Å²	91	75.8 Å²	75.8	75%	0.752	36%	0.363	S	S	*	.	H	α-helix	trans	-64.1	-35.2	177.3	0	0	0	0	0	112.7	T72 E73	T72-A76 WeakPolarHBondContact O-CB 3.36Å; T72-A76 PolarHBondContact O-N 2.87Å; E73-A76 PolarHBondContact O-N 3.43Å
77	K	96.1	Very high	94.5	Very high	148 Å²	148	74.6 Å²	74.6	64%	0.643	37%	0.367	S	S	*	.	H	α-helix	trans	-86.9	-39.1	-175.3	-165.3	174.9	179.7	-169.3	0	113.6	E73 N74 E75	E73-K77 WeakPolarHBondContact O-CB 3.26Å; E73-K77 PolarHBondContact O-N 3.29Å; N74-K77 PolarHBondContact O-N 2.94Å; E75-K77 VanDerWaalsContact C-N 3.31Å; E75-K77 PolarHBondContact O-N 3.49Å
78	Y	95.6	Very high	94.4	Very high	64 Å²	64	79.5 Å²	79.5	25%	0.251	39%	0.39	S	S	.	.	H	α-helix	trans	-132.1	-5.8	-168.5	-53.7	-60.4	0	0	0	114.2	N74 Q80 E81 I82	N74-Y78 PolarHBondContact O-N 2.87Å; N74-Y78 WeakPolarHBondContact OD1-CD2 3.35Å; Y78-Q80 VanDerWaalsContact C-N 3.28Å; Y78-Q80 PolarHBondContact O-N 3.2Å; Y78-Q80 VanDerWaalsContact O-N 3.16Å; Y78-E81 PolarHBondContact O-N 3.36Å; Y78-I82 WeakPolarHBondContact O-CG1 3.33Å; Y78-I82 PolarHBondContact O-N 3.47Å
79	G	95.6	Very high	94.4	Very high	1 Å²	1	85.8 Å²	85.8	1%	0.01	42%	0.419	C	S	.	.	H	α-helix	trans	-54.7	-39.2	-171	0	0	0	0	0	114.2	N74 E75 R83	N74-G79 PolarHBondContact O-N 3.31Å; E75-G79 VanDerWaalsContact O-CA 3.28Å; E75-G79 WeakPolarHBondContact O-CA 3.37Å; E75-G79 PolarHBondContact O-N 3.16Å; G79-R83 WeakPolarHBondContact O-CB 3.28Å; G79-R83 WeakPolarHBondContact O-CG 3.33Å; G79-R83 PolarHBondContact O-N 2.82Å; G79-R83 PolarHBondContact O-NH1 3.49Å
80	Q	95.8	Very high	94.4	Very high	144 Å²	144	84.7 Å²	84.7	67%	0.673	42%	0.42	S	S	*	.	H	α-helix	trans	-67.2	-52.7	174.9	-177.5	178.8	-9	0	0	111.6	Y78 I82 R83 E84	Y78-Q80 VanDerWaalsContact C-N 3.28Å; Y78-Q80 PolarHBondContact O-N 3.2Å; Y78-Q80 VanDerWaalsContact O-N 3.16Å; Q80-I82 PolarHBondContact O-N 3.06Å; Q80-R83 PolarHBondContact O-N 3.19Å; Q80-E84 HydrophobicContact CG-CG 4.45Å; Q80-E84 VanDerWaalsContact CG-OE1 3.28Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.34Å; Q80-E84 PolarHBondContact NE2-OE1 2.81Å; Q80-E84 WeakPolarHBondContact O-CG 3.44Å; Q80-E84 PolarHBondContact O-N 3.34Å
81	E	94.8	Very high	94.3	Very high	75 Å²	75	81.5 Å²	81.5	35%	0.35	41%	0.406	S	S	.	.	H	α-helix	trans	-56	-47.4	-177.4	-175	-168.5	149.4	0	0	111.8	Y78 R83 E84 K85 R167	Y78-E81 PolarHBondContact O-N 3.36Å; E81-R83 PolarHBondContact O-N 2.98Å; E81-E84 PolarHBondContact O-N 3.03Å; E81-K85 WeakPolarHBondContact O-CB 3.46Å; E81-K85 PolarHBondContact O-N 3.4Å; E81-R167 IonicContact OE1-CZ 2.64Å; E81-R167 IonicContact OE1-NH1 2.72Å; E81-R167 PolarHBondContact OE1-NH1 3.29Å; E81-R167 IonicContact OE1-NH2 2.87Å; E81-R167 PolarHBondContact OE1-NH2 3.41Å; E81-R167 IonicContact OE2-CZ 2.79Å; E81-R167 IonicContact OE2-NH1 2.82Å; E81-R167 PolarHBondContact OE2-NH1 3.42Å; E81-R167 IonicContact OE2-NH2 2.75Å
82	I	95	Very high	94.2	Very high	33 Å²	33	82.4 Å²	82.4	17%	0.169	41%	0.41	C	S	.	.	H	α-helix	trans	-71.3	-31.5	-176.2	65.2	-179	0	0	0	112.4	Y78 Q80 Y86 V91	Y78-I82 WeakPolarHBondContact O-CG1 3.33Å; Y78-I82 PolarHBondContact O-N 3.47Å; Q80-I82 PolarHBondContact O-N 3.06Å; I82-Y86 HydrophobicContact CB-CD2 4.07Å; I82-Y86 HydrophobicContact CB-CE2 4.47Å; I82-Y86 HydrophobicContact CG2-CD2 4.48Å; I82-Y86 HydrophobicContact CG2-CE2 4.41Å; I82-Y86 WeakPolarHBondContact O-CB 3.41Å; I82-Y86 WeakPolarHBondContact O-CD2 3.34Å; I82-Y86 PolarHBondContact O-N 3Å; I82-V91 HydrophobicContact CB-CG2 4.09Å; I82-V91 HydrophobicContact CD1-CB 4.48Å; I82-V91 HydrophobicContact CD1-CG1 3.7Å; I82-V91 HydrophobicContact CD1-CG2 3.95Å; I82-V91 HydrophobicContact CG1-CG1 4.15Å; I82-V91 HydrophobicContact CG1-CG2 3.66Å
83	R	96	Very high	94.2	Very high	69 Å²	69	81.3 Å²	81.3	26%	0.26	41%	0.408	S	S	.	.	H	α-helix	trans	-72.5	-39.5	174.6	-76.3	-178.9	-173.6	89.2	0.6	112.1	E75 G79 Q80 E81 K85 G87 E88 V91	E75-R83 VanDerWaalsContact CD-NH1 3.3Å; E75-R83 VanDerWaalsContact CD-NH2 3.26Å; E75-R83 IonicContact OE1-CZ 3.9Å; E75-R83 VanDerWaalsContact OE1-CZ 3.28Å; E75-R83 IonicContact OE1-NH1 3.95Å; E75-R83 PolarHBondContact OE1-NH1 3.45Å; E75-R83 IonicContact OE1-NH2 3.42Å; E75-R83 PolarHBondContact OE1-NH2 2.85Å; E75-R83 VanDerWaalsContact OE1-NH2 3.1Å; E75-R83 IonicContact OE2-CZ 3.3Å; E75-R83 IonicContact OE2-NH1 3.28Å; E75-R83 PolarHBondContact OE2-NH1 2.96Å; E75-R83 IonicContact OE2-NH2 2.81Å; E75-R83 PolarHBondContact OE2-NH2 2.81Å; G79-R83 WeakPolarHBondContact O-CB 3.28Å; G79-R83 WeakPolarHBondContact O-CG 3.33Å; G79-R83 PolarHBondContact O-N 2.82Å; G79-R83 PolarHBondContact O-NH1 3.49Å; Q80-R83 PolarHBondContact O-N 3.19Å; E81-R83 PolarHBondContact O-N 2.98Å; R83-K85 VanDerWaalsContact C-N 3.27Å; R83-K85 PolarHBondContact O-N 3.31Å; R83-G87 VanDerWaalsContact O-CA 3.26Å; R83-G87 WeakPolarHBondContact O-CA 3.42Å; R83-G87 PolarHBondContact O-N 3.25Å; R83-E88 WeakPolarHBondContact CD-OE2 3.49Å; R83-E88 IonicContact CZ-OE2 2.83Å; R83-E88 IonicContact NE-OE1 2.82Å; R83-E88 IonicContact NE-OE2 2.76Å; R83-E88 PolarHBondContact NE-OE2 2.72Å; R83-V91 HydrophobicContact CG-CB 4.41Å; R83-V91 HydrophobicContact CG-CG1 4.5Å; R83-V91 HydrophobicContact CG-CG2 4.03Å
84	E	95.9	Very high	94.1	Very high	142 Å²	142	80.5 Å²	80.5	66%	0.664	41%	0.413	S	S	*	.	H	α-helix	trans	-61.8	-38.5	174.3	-73.6	176.5	-173.2	0	0	111.3	Q80 E81	Q80-E84 HydrophobicContact CG-CG 4.45Å; Q80-E84 VanDerWaalsContact CG-OE1 3.28Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.34Å; Q80-E84 PolarHBondContact NE2-OE1 2.81Å; Q80-E84 WeakPolarHBondContact O-CG 3.44Å; Q80-E84 PolarHBondContact O-N 3.34Å; E81-E84 PolarHBondContact O-N 3.03Å
85	K	93.9	Very high	94	Very high	112 Å²	112	78.9 Å²	78.9	49%	0.487	40%	0.404	S	S	.	.	H	α-helix	trans	-85.6	-38.1	-175.7	-167.3	170.6	176.5	-178.1	0	114.4	E81 R83	E81-K85 WeakPolarHBondContact O-CB 3.46Å; E81-K85 PolarHBondContact O-N 3.4Å; R83-K85 VanDerWaalsContact C-N 3.27Å; R83-K85 PolarHBondContact O-N 3.31Å
86	Y	92.8	Very high	93.9	Very high	113 Å²	113	79.3 Å²	79.3	44%	0.443	41%	0.406	S	S	.	.	H	α-helix	trans	-121.3	-9.6	-169.2	-51.1	-64.5	0	0	0	114.4	I82 T90	I82-Y86 HydrophobicContact CB-CD2 4.07Å; I82-Y86 HydrophobicContact CB-CE2 4.47Å; I82-Y86 HydrophobicContact CG2-CD2 4.48Å; I82-Y86 HydrophobicContact CG2-CE2 4.41Å; I82-Y86 WeakPolarHBondContact O-CB 3.41Å; I82-Y86 WeakPolarHBondContact O-CD2 3.34Å; I82-Y86 PolarHBondContact O-N 3Å; Y86-T90 VanDerWaalsContact O-CB 3.28Å; Y86-T90 WeakPolarHBondContact O-CB 3.34Å; Y86-T90 PolarHBondContact O-OG1 3Å
87	G	93.3	Very high	93.9	Very high	30 Å²	30	78.7 Å²	78.7	31%	0.309	39%	0.387	S	S	.	.			trans	80.2	158.6	-179.1	0	0	0	0	0	114.4	R83 E89 T90 V91	R83-G87 VanDerWaalsContact O-CA 3.26Å; R83-G87 WeakPolarHBondContact O-CA 3.42Å; R83-G87 PolarHBondContact O-N 3.25Å; G87-E89 PolarHBondContact O-N 2.98Å; G87-T90 PolarHBondContact O-N 3.21Å; G87-V91 WeakPolarHBondContact O-CG2 3.49Å; G87-V91 PolarHBondContact O-N 2.9Å
88	E	92.2	Very high	93.9	Very high	106 Å²	106	74 Å²	74	50%	0.495	37%	0.365	S	S	.	.	H	α-helix	trans	-58.3	-45.5	-175.1	-174.4	64.9	-169.8	0	0	113.1	R83 T90 V91 E92	R83-E88 WeakPolarHBondContact CD-OE2 3.49Å; R83-E88 IonicContact CZ-OE2 2.83Å; R83-E88 IonicContact NE-OE1 2.82Å; R83-E88 IonicContact NE-OE2 2.76Å; R83-E88 PolarHBondContact NE-OE2 2.72Å; E88-T90 VanDerWaalsContact C-N 3.34Å; E88-T90 PolarHBondContact O-N 3.44Å; E88-V91 PolarHBondContact O-N 3.29Å; E88-E92 WeakPolarHBondContact O-CB 3.44Å; E88-E92 PolarHBondContact O-N 3.4Å
89	E	90.7	Very high	93.7	Very high	173 Å²	173	73 Å²	73	81%	0.808	36%	0.363	S	S	*	.	H	α-helix	trans	-62.1	-40.7	-176.4	-172.7	-176.3	169.5	0	0	112.2	G87 A93	G87-E89 PolarHBondContact O-N 2.98Å; E89-A93 WeakPolarHBondContact O-CB 3.49Å; E89-A93 PolarHBondContact O-N 3.05Å
90	T	92	Very high	93.5	Very high	82 Å²	82	79.3 Å²	79.3	50%	0.503	40%	0.396	S	S	.	.	H	α-helix	trans	-64.6	-43.6	177.6	-53.7	0	0	0	0	111.5	Y86 G87 E88 S94	Y86-T90 VanDerWaalsContact O-CB 3.28Å; Y86-T90 WeakPolarHBondContact O-CB 3.34Å; Y86-T90 PolarHBondContact O-OG1 3Å; G87-T90 PolarHBondContact O-N 3.21Å; E88-T90 VanDerWaalsContact C-N 3.34Å; E88-T90 PolarHBondContact O-N 3.44Å; T90-S94 WeakPolarHBondContact O-CB 3.45Å; T90-S94 PolarHBondContact O-N 2.86Å
91	V	93.9	Very high	93.5	Very high	6 Å²	6	73.3 Å²	73.3	4%	0.036	37%	0.368	C	S	.	.	H	α-helix	trans	-67.1	-44.7	-179.5	174.8	0	0	0	0	110.3	I82 R83 G87 E88 A93 S94 N95	I82-V91 HydrophobicContact CB-CG2 4.09Å; I82-V91 HydrophobicContact CD1-CB 4.48Å; I82-V91 HydrophobicContact CD1-CG1 3.7Å; I82-V91 HydrophobicContact CD1-CG2 3.95Å; I82-V91 HydrophobicContact CG1-CG1 4.15Å; I82-V91 HydrophobicContact CG1-CG2 3.66Å; R83-V91 HydrophobicContact CG-CB 4.41Å; R83-V91 HydrophobicContact CG-CG1 4.5Å; R83-V91 HydrophobicContact CG-CG2 4.03Å; G87-V91 WeakPolarHBondContact O-CG2 3.49Å; G87-V91 PolarHBondContact O-N 2.9Å; E88-V91 PolarHBondContact O-N 3.29Å; V91-A93 PolarHBondContact O-N 3.34Å; V91-S94 WeakPolarHBondContact O-CB 3.2Å; V91-S94 PolarHBondContact O-N 3.49Å; V91-N95 VanDerWaalsContact O-CG 3.3Å; V91-N95 PolarHBondContact O-N 2.85Å
92	E	91	Very high	93.6	Very high	44 Å²	44	72 Å²	72	21%	0.206	37%	0.367	C	S	.	.	H	α-helix	trans	-63.1	-44	178.1	-171.4	66.7	177.5	0	0	111.4	K33 E88 S94 N95 Q96	K33-E92 IonicContact NZ-OE1 3.47Å; K33-E92 PolarHBondContact NZ-OE1 2.95Å; K33-E92 IonicContact NZ-OE2 2.68Å; E88-E92 WeakPolarHBondContact O-CB 3.44Å; E88-E92 PolarHBondContact O-N 3.4Å; E92-S94 VanDerWaalsContact C-N 3.28Å; E92-S94 PolarHBondContact O-N 2.99Å; E92-N95 PolarHBondContact O-N 3.3Å; E92-Q96 HydrophobicContact CG-CG 4.49Å; E92-Q96 WeakPolarHBondContact O-CB 3.47Å; E92-Q96 WeakPolarHBondContact O-CG 3.31Å; E92-Q96 PolarHBondContact O-N 3.21Å
93	A	91.8	Very high	93.6	Very high	55 Å²	55	74.2 Å²	74.2	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-60.5	-38.1	175.7	0	0	0	0	0	112.5	E89 V91 K97	E89-A93 WeakPolarHBondContact O-CB 3.49Å; E89-A93 PolarHBondContact O-N 3.05Å; V91-A93 PolarHBondContact O-N 3.34Å; A93-K97 WeakPolarHBondContact O-CB 3.4Å; A93-K97 PolarHBondContact O-N 3.05Å
94	S	94.5	Very high	93.7	Very high	72 Å²	72	74 Å²	74	50%	0.503	39%	0.39	S	S	.	.	H	α-helix	trans	-65.2	-47	174.2	-177.2	0	0	0	0	111.8	T90 V91 E92 Q96 K97 W98	T90-S94 WeakPolarHBondContact O-CB 3.45Å; T90-S94 PolarHBondContact O-N 2.86Å; V91-S94 WeakPolarHBondContact O-CB 3.2Å; V91-S94 PolarHBondContact O-N 3.49Å; E92-S94 VanDerWaalsContact C-N 3.28Å; E92-S94 PolarHBondContact O-N 2.99Å; S94-Q96 PolarHBondContact O-N 3.47Å; S94-K97 PolarHBondContact O-N 3.46Å; S94-W98 PolarHBondContact O-N 2.92Å
95	N	94.2	Very high	93.8	Very high	22 Å²	22	70.9 Å²	70.9	12%	0.118	38%	0.378	C	S	.	.	H	α-helix	trans	-62.5	-41.7	178.7	-70.8	-14.3	0	0	0	111.8	L71 V91 E92 W98 Q99	L71-N95 HydrophobicContact CD1-CB 4.18Å; L71-N95 HydrophobicContact CD2-CB 4.22Å; V91-N95 VanDerWaalsContact O-CG 3.3Å; V91-N95 PolarHBondContact O-N 2.85Å; E92-N95 PolarHBondContact O-N 3.3Å; N95-W98 WeakPolarHBondContact O-CB 3.43Å; N95-W98 PolarHBondContact O-N 2.91Å; N95-Q99 WeakPolarHBondContact O-CG 3.43Å; N95-Q99 PolarHBondContact O-N 3.02Å
96	Q	91.9	Very high	94	Very high	84 Å²	84	67.2 Å²	67.2	39%	0.393	36%	0.361	S	S	.	.	H	α-helix	trans	-64.1	-40.2	175.2	-73.9	-179.9	-6.9	0	0	111.8	E92 S94 W98 Q99 N100	E92-Q96 HydrophobicContact CG-CG 4.49Å; E92-Q96 WeakPolarHBondContact O-CB 3.47Å; E92-Q96 WeakPolarHBondContact O-CG 3.31Å; E92-Q96 PolarHBondContact O-N 3.21Å; S94-Q96 PolarHBondContact O-N 3.47Å; Q96-W98 VanDerWaalsContact C-N 3.32Å; Q96-W98 PolarHBondContact O-N 3.04Å; Q96-Q99 PolarHBondContact O-N 3.45Å; Q96-N100 WeakPolarHBondContact O-CB 3.38Å; Q96-N100 PolarHBondContact O-N 2.73Å; Q96-N100 PolarHBondContact O-ND2 3.21Å
97	K	94.4	Very high	94.3	Very high	78 Å²	78	67 Å²	67	34%	0.339	36%	0.364	S	S	.	.	H	α-helix	trans	-62.4	-41.1	175.6	-172	172	-178.7	-173.2	0	111.5	A93 S94 N100 M101 S144 F145 S146 W147	A93-K97 WeakPolarHBondContact O-CB 3.4Å; A93-K97 PolarHBondContact O-N 3.05Å; S94-K97 PolarHBondContact O-N 3.46Å; K97-N100 PolarHBondContact O-N 3.38Å; K97-M101 PolarHBondContact O-N 3.1Å; K97-M101 VanDerWaalsContact O-N 3.15Å; K97-S144 PolarHBondContact NZ-O 3.22Å; K97-F145 WeakPolarHBondContact CE-O 3.05Å; K97-F145 PolarHBondContact NZ-O 3.08Å; K97-S146 WeakPolarHBondContact CD-O 3.1Å; K97-S146 VanDerWaalsContact NZ-C 3.26Å; K97-S146 PolarHBondContact NZ-O 2.7Å; K97-W147 PolarHBondContact NZ-O 2.93Å
98	W	95.6	Very high	94.5	Very high	48 Å²	48	70.5 Å²	70.5	18%	0.182	37%	0.371	C	S	.	.	H	α-helix	trans	-62.9	-48.9	174.2	172.4	-99.4	0	0	0	112.3	F66 K67 K70 L71 S94 N95 Q96 N100 M101 Y106 M109	F66-W98 HydrophobicContact CE1-CH2 4.35Å; F66-W98 HydrophobicContact CE1-CZ2 4.23Å; K67-W98 HydrophobicContact CB-CZ2 4.41Å; K67-W98 WeakPolarHBondContact CD-O 3.49Å; K67-W98 HydrophobicContact CG-CZ2 4.05Å; K67-W98 PolarHBondContact O-NE1 2.99Å; K70-W98 HydrophobicContact CB-CZ2 3.81Å; K70-W98 HydrophobicContact CG-CZ2 4.21Å; L71-W98 HydrophobicContact CD2-CB 4.27Å; L71-W98 HydrophobicContact CD2-CG 3.97Å; L71-W98 VanDerWaalsContact CG-CD1 3.43Å; L71-W98 HydrophobicContact CG-CG 4.45Å; S94-W98 PolarHBondContact O-N 2.92Å; N95-W98 WeakPolarHBondContact O-CB 3.43Å; N95-W98 PolarHBondContact O-N 2.91Å; Q96-W98 VanDerWaalsContact C-N 3.32Å; Q96-W98 PolarHBondContact O-N 3.04Å; W98-N100 PolarHBondContact O-N 3.29Å; W98-M101 HydrophobicContact CE3-CE 4.24Å; W98-M101 HydrophobicContact CE3-SD 4.3Å; W98-M101 HydrophobicContact CZ3-SD 4.19Å; W98-M101 WeakPolarHBondContact O-CB 3.35Å; W98-M101 PolarHBondContact O-N 3.15Å; W98-Y106 AromaticContact CH2-CD2 3.86Å; W98-Y106 HydrophobicContact CH2-CD2 3.86Å; W98-Y106 AromaticContact CH2-CE2 3.6Å; W98-Y106 HydrophobicContact CH2-CE2 3.6Å; W98-Y106 AromaticContact CZ3-CD2 3.98Å; W98-Y106 HydrophobicContact CZ3-CD2 3.98Å; W98-Y106 HydrophobicContact CZ3-CE2 4.03Å; W98-M109 HydrophobicContact CZ3-CE 4.26Å
99	Q	92.2	Very high	94.8	Very high	45 Å²	45	66.8 Å²	66.8	21%	0.21	35%	0.354	C	S	.	.	H	α-helix	trans	-62.1	-32.7	178.6	-74.1	-66.9	-32.3	0	0	112.6	K67 L71 N95 Q96 M101	K67-Q99 PolarHBondContact NZ-O 2.94Å; L71-Q99 HydrophobicContact CD1-CG 3.56Å; N95-Q99 WeakPolarHBondContact O-CG 3.43Å; N95-Q99 PolarHBondContact O-N 3.02Å; Q96-Q99 PolarHBondContact O-N 3.45Å; Q99-M101 VanDerWaalsContact C-N 3.32Å
100	N	92.7	Very high	95.2	Very high	133 Å²	133	62.8 Å²	62.8	71%	0.711	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-2.4	176.8	-69	-46.6	0	0	0	114	Q96 K97 W98 S102	Q96-N100 WeakPolarHBondContact O-CB 3.38Å; Q96-N100 PolarHBondContact O-N 2.73Å; Q96-N100 PolarHBondContact O-ND2 3.21Å; K97-N100 PolarHBondContact O-N 3.38Å; W98-N100 PolarHBondContact O-N 3.29Å; N100-S102 PolarHBondContact O-N 2.92Å
101	M	95.5	Very high	95.5	Very high	17 Å²	17	61.8 Å²	61.8	8%	0.084	34%	0.335	C	S	.	.			trans	-65.5	131.2	177.3	-170.4	175.9	-69.4	0	0	110.1	K67 K97 W98 Q99 D105 Y106 M109 F145	K67-M101 PolarHBondContact NZ-O 3.42Å; K67-M101 VanDerWaalsContact NZ-O 3.1Å; K97-M101 PolarHBondContact O-N 3.1Å; K97-M101 VanDerWaalsContact O-N 3.15Å; W98-M101 HydrophobicContact CE3-CE 4.24Å; W98-M101 HydrophobicContact CE3-SD 4.3Å; W98-M101 HydrophobicContact CZ3-SD 4.19Å; W98-M101 WeakPolarHBondContact O-CB 3.35Å; W98-M101 PolarHBondContact O-N 3.15Å; Q99-M101 VanDerWaalsContact C-N 3.32Å; M101-D105 HydrophobicContact CG-CB 3.98Å; M101-Y106 HydrophobicContact SD-CD2 4.11Å; M101-M109 HydrophobicContact CE-SD 4.14Å; M101-M109 HydrophobicContact SD-SD 4.33Å; M101-F145 HydrophobicContact CE-CB 4.34Å
102	S	95.7	Very high	95.7	Very high	47 Å²	47	61.9 Å²	61.9	33%	0.329	34%	0.336	S	S	.	.			trans	-76.8	155.6	175.5	79	0	0	0	0	111	N100 A104 D105 Y106	N100-S102 PolarHBondContact O-N 2.92Å; S102-A104 PolarHBondContact O-N 2.68Å; S102-D105 PolarHBondContact O-N 2.82Å; S102-D105 WeakPolarHBondContact OG-CB 3.26Å; S102-D105 PolarHBondContact OG-N 3.27Å; S102-D105 PolarHBondContact OG-OD2 3.04Å; S102-Y106 WeakPolarHBondContact O-CB 3.48Å; S102-Y106 PolarHBondContact O-N 2.95Å
103	E	96.4	Very high	96.1	Very high	80 Å²	80	61.6 Å²	61.6	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-59.9	-36.2	175.4	-172.4	177.5	-176.9	0	0	111.5	F63 Y106 Q107	F63-E103 HydrophobicContact CD1-CB 3.89Å; F63-E103 HydrophobicContact CD1-CG 4.45Å; F63-E103 HydrophobicContact CD2-CB 4.48Å; F63-E103 HydrophobicContact CD2-CG 4.2Å; F63-E103 HydrophobicContact CE1-CB 3.95Å; F63-E103 HydrophobicContact CE2-CG 4.41Å; F63-E103 HydrophobicContact CG-CB 4.17Å; F63-E103 HydrophobicContact CG-CG 4.23Å; F63-E103 HydrophobicContact CZ-CB 4.31Å; E103-Y106 PolarHBondContact O-N 3.42Å; E103-Q107 WeakPolarHBondContact O-CB 3.07Å; E103-Q107 VanDerWaalsContact O-CG 3.26Å; E103-Q107 WeakPolarHBondContact O-CG 3.24Å; E103-Q107 PolarHBondContact O-N 2.76Å
104	A	97.8	Very high	96.4	Very high	66 Å²	66	61.7 Å²	61.7	55%	0.545	34%	0.335	S	S	.	.	H	α-helix	trans	-66.4	-42.9	176.9	0	0	0	0	0	112.2	S102 Y106 Q107 K108	S102-A104 PolarHBondContact O-N 2.68Å; A104-Y106 VanDerWaalsContact C-N 3.34Å; A104-Q107 PolarHBondContact O-N 2.91Å; A104-K108 WeakPolarHBondContact O-CB 3.23Å; A104-K108 PolarHBondContact O-N 2.66Å
105	D	97.8	Very high	96.6	Very high	76 Å²	76	59.6 Å²	59.6	41%	0.406	32%	0.322	S	S	.	.	H	α-helix	trans	-66	-39.7	176	-65.6	-44.9	0	0	0	111.3	M101 S102 K108 M109 F145	M101-D105 HydrophobicContact CG-CB 3.98Å; S102-D105 PolarHBondContact O-N 2.82Å; S102-D105 WeakPolarHBondContact OG-CB 3.26Å; S102-D105 PolarHBondContact OG-N 3.27Å; S102-D105 PolarHBondContact OG-OD2 3.04Å; D105-K108 PolarHBondContact O-N 2.99Å; D105-M109 WeakPolarHBondContact O-CB 3.09Å; D105-M109 PolarHBondContact O-N 3.03Å; D105-F145 HydrophobicContact CB-CD1 4.45Å; D105-F145 HydrophobicContact CB-CE1 4.38Å; D105-F145 WeakPolarHBondContact O-CE1 3.48Å
106	Y	98	Very high	96.9	Very high	35 Å²	35	58.6 Å²	58.6	14%	0.137	32%	0.317	C	S	.	.	H	α-helix	trans	-62.6	-46.6	175.7	178	-101.2	0	0	0	111.9	F63 F66 W98 M101 S102 E103 A104 K108 M109 Q110	F63-Y106 AromaticContact CE2-CD1 3.68Å; F63-Y106 HydrophobicContact CE2-CD1 3.68Å; F63-Y106 HydrophobicContact CE2-CE1 4.31Å; F63-Y106 AromaticContact CE2-CG 3.86Å; F63-Y106 HydrophobicContact CE2-CG 3.86Å; F63-Y106 HydrophobicContact CZ-CD1 4.15Å; F63-Y106 AromaticContact CZ-CG 3.86Å; F63-Y106 HydrophobicContact CZ-CG 3.86Å; F66-Y106 HydrophobicContact CE1-CE1 4.01Å; F66-Y106 HydrophobicContact CE1-CE2 4.07Å; F66-Y106 AromaticContact CE1-CZ 3.67Å; F66-Y106 HydrophobicContact CZ-CE1 4.34Å; F66-Y106 HydrophobicContact CZ-CE2 4.39Å; F66-Y106 AromaticContact CZ-CZ 3.78Å; F66-Y106 VanDerWaalsContact CZ-OH 3.31Å; F66-Y106 WeakPolarHBondContact CZ-OH 3.47Å; W98-Y106 AromaticContact CH2-CD2 3.86Å; W98-Y106 HydrophobicContact CH2-CD2 3.86Å; W98-Y106 AromaticContact CH2-CE2 3.6Å; W98-Y106 HydrophobicContact CH2-CE2 3.6Å; W98-Y106 AromaticContact CZ3-CD2 3.98Å; W98-Y106 HydrophobicContact CZ3-CD2 3.98Å; W98-Y106 HydrophobicContact CZ3-CE2 4.03Å; M101-Y106 HydrophobicContact SD-CD2 4.11Å; S102-Y106 WeakPolarHBondContact O-CB 3.48Å; S102-Y106 PolarHBondContact O-N 2.95Å; E103-Y106 PolarHBondContact O-N 3.42Å; A104-Y106 VanDerWaalsContact C-N 3.34Å; Y106-K108 VanDerWaalsContact C-N 3.29Å; Y106-K108 PolarHBondContact O-N 2.94Å; Y106-M109 HydrophobicContact CD2-CE 3.7Å; Y106-M109 HydrophobicContact CE2-CE 3.75Å; Y106-M109 WeakPolarHBondContact O-CB 3.48Å; Y106-M109 PolarHBondContact O-N 3.24Å; Y106-Q110 HydrophobicContact CD1-CG 4.4Å; Y106-Q110 HydrophobicContact CE1-CG 3.93Å; Y106-Q110 HydrophobicContact CE2-CG 4.25Å; Y106-Q110 VanDerWaalsContact CZ-CD 3.46Å; Y106-Q110 WeakPolarHBondContact O-CG 3.33Å; Y106-Q110 PolarHBondContact O-N 3.09Å; Y106-Q110 PolarHBondContact OH-NE2 3.05Å
107	Q	98.2	Very high	97.2	Very high	107 Å²	107	55.5 Å²	55.5	50%	0.5	30%	0.303	S	S	.	.	H	α-helix	trans	-60.4	-40.9	174.9	-74.2	173	0.7	0	0	111.5	E103 A104 Q110 A111	E103-Q107 WeakPolarHBondContact O-CB 3.07Å; E103-Q107 VanDerWaalsContact O-CG 3.26Å; E103-Q107 WeakPolarHBondContact O-CG 3.24Å; E103-Q107 PolarHBondContact O-N 2.76Å; A104-Q107 PolarHBondContact O-N 2.91Å; Q107-Q110 PolarHBondContact O-N 3.03Å; Q107-A111 WeakPolarHBondContact O-CB 3.46Å; Q107-A111 PolarHBondContact O-N 3.32Å
108	K	98.7	Very high	97.4	Very high	104 Å²	104	57.6 Å²	57.6	45%	0.452	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-44.3	175.4	-166.2	-174.7	172.1	-157.7	0	111.2	A104 D105 Y106 Q110 A111 T112 E141 F145	A104-K108 WeakPolarHBondContact O-CB 3.23Å; A104-K108 PolarHBondContact O-N 2.66Å; D105-K108 PolarHBondContact O-N 2.99Å; Y106-K108 VanDerWaalsContact C-N 3.29Å; Y106-K108 PolarHBondContact O-N 2.94Å; K108-Q110 VanDerWaalsContact C-N 3.35Å; K108-Q110 PolarHBondContact O-N 2.83Å; K108-A111 PolarHBondContact O-N 3.22Å; K108-T112 WeakPolarHBondContact O-CB 3.43Å; K108-T112 PolarHBondContact O-N 2.77Å; K108-T112 PolarHBondContact O-OG1 3.38Å; K108-E141 WeakPolarHBondContact CE-OE1 3.47Å; K108-E141 IonicContact NZ-OE1 2.69Å; K108-E141 PolarHBondContact NZ-OE1 2.92Å; K108-F145 HydrophobicContact CB-CE1 4.19Å; K108-F145 HydrophobicContact CB-CZ 3.96Å; K108-F145 HydrophobicContact CD-CE1 4.25Å; K108-F145 HydrophobicContact CD-CZ 3.81Å; K108-F145 HydrophobicContact CG-CE1 4.4Å; K108-F145 HydrophobicContact CG-CZ 3.79Å
109	M	98.5	Very high	97.5	Very high	28 Å²	28	57.9 Å²	57.9	14%	0.138	32%	0.317	C	S	.	.	H	α-helix	trans	-57.9	-46.1	175.9	-174.7	-174	76.2	0	0	111.4	W98 M101 D105 Y106 T112 E113 F145	W98-M109 HydrophobicContact CZ3-CE 4.26Å; M101-M109 HydrophobicContact CE-SD 4.14Å; M101-M109 HydrophobicContact SD-SD 4.33Å; D105-M109 WeakPolarHBondContact O-CB 3.09Å; D105-M109 PolarHBondContact O-N 3.03Å; Y106-M109 HydrophobicContact CD2-CE 3.7Å; Y106-M109 HydrophobicContact CE2-CE 3.75Å; Y106-M109 WeakPolarHBondContact O-CB 3.48Å; Y106-M109 PolarHBondContact O-N 3.24Å; M109-T112 PolarHBondContact O-N 3.4Å; M109-E113 PolarHBondContact O-N 3.18Å; M109-F145 HydrophobicContact CB-CB 4.33Å; M109-F145 HydrophobicContact CB-CD1 4Å; M109-F145 HydrophobicContact CB-CD2 3.77Å; M109-F145 HydrophobicContact CB-CE1 4.22Å; M109-F145 HydrophobicContact CB-CE2 4.01Å; M109-F145 HydrophobicContact CB-CG 3.77Å; M109-F145 HydrophobicContact CB-CZ 4.22Å; M109-F145 HydrophobicContact CG-CB 3.96Å; M109-F145 HydrophobicContact CG-CD2 3.74Å; M109-F145 HydrophobicContact CG-CE2 4.36Å; M109-F145 HydrophobicContact CG-CG 3.84Å; M109-F145 HydrophobicContact SD-CB 3.87Å; M109-F145 HydrophobicContact SD-CG 4.35Å
110	Q	98.5	Very high	97.8	Very high	90 Å²	90	55.7 Å²	55.7	42%	0.421	31%	0.307	S	S	.	.	H	α-helix	trans	-63.7	-41.3	176.2	-69.5	-168.9	-56.6	0	0	112.4	Y106 Q107 K108 E113 A114	Y106-Q110 HydrophobicContact CD1-CG 4.4Å; Y106-Q110 HydrophobicContact CE1-CG 3.93Å; Y106-Q110 HydrophobicContact CE2-CG 4.25Å; Y106-Q110 VanDerWaalsContact CZ-CD 3.46Å; Y106-Q110 WeakPolarHBondContact O-CG 3.33Å; Y106-Q110 PolarHBondContact O-N 3.09Å; Y106-Q110 PolarHBondContact OH-NE2 3.05Å; Q107-Q110 PolarHBondContact O-N 3.03Å; K108-Q110 VanDerWaalsContact C-N 3.35Å; K108-Q110 PolarHBondContact O-N 2.83Å; Q110-E113 PolarHBondContact O-N 3.35Å; Q110-A114 WeakPolarHBondContact O-CB 3.43Å; Q110-A114 PolarHBondContact O-N 2.92Å
111	A	98.8	Very high	98.1	Very high	60 Å²	60	51.1 Å²	51.1	50%	0.496	29%	0.285	S	S	.	.	H	α-helix	trans	-66.1	-40.6	177	0	0	0	0	0	112	Q107 K108 E113 A114 A115	Q107-A111 WeakPolarHBondContact O-CB 3.46Å; Q107-A111 PolarHBondContact O-N 3.32Å; K108-A111 PolarHBondContact O-N 3.22Å; A111-E113 VanDerWaalsContact C-N 3.33Å; A111-A114 PolarHBondContact O-N 3.39Å; A111-A115 WeakPolarHBondContact O-CB 3.5Å; A111-A115 PolarHBondContact O-N 2.5Å
112	T	98.8	Very high	98.3	Very high	9 Å²	9	54 Å²	54	6%	0.055	30%	0.301	C	S	.	.	H	α-helix	trans	-61.7	-42	173.8	-60.7	0	0	0	0	110.8	K108 M109 L116 L138 E141 W142	K108-T112 WeakPolarHBondContact O-CB 3.43Å; K108-T112 PolarHBondContact O-N 2.77Å; K108-T112 PolarHBondContact O-OG1 3.38Å; M109-T112 PolarHBondContact O-N 3.4Å; T112-L116 VanDerWaalsContact O-CB 3.28Å; T112-L116 WeakPolarHBondContact O-CB 3.42Å; T112-L116 PolarHBondContact O-N 3.2Å; T112-L138 HydrophobicContact CG2-CB 4.45Å; T112-L138 HydrophobicContact CG2-CD2 3.96Å; T112-L138 WeakPolarHBondContact CG2-O 3.45Å; T112-E141 HydrophobicContact CG2-CB 4.08Å; T112-E141 HydrophobicContact CG2-CG 4.11Å; T112-W142 HydrophobicContact CG2-CB 3.91Å
113	E	98.7	Very high	98.4	Very high	38 Å²	38	53 Å²	53	18%	0.178	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-44.9	176.1	-166.2	-170.5	171.7	0	0	112.5	M109 Q110 A111 A115 L116 T117 W142 Y171 K175	M109-E113 PolarHBondContact O-N 3.18Å; Q110-E113 PolarHBondContact O-N 3.35Å; A111-E113 VanDerWaalsContact C-N 3.33Å; E113-A115 PolarHBondContact O-N 3.21Å; E113-L116 WeakPolarHBondContact O-CB 3.41Å; E113-L116 PolarHBondContact O-N 3.36Å; E113-T117 WeakPolarHBondContact O-CG2 3.4Å; E113-T117 PolarHBondContact O-N 3.4Å; E113-T117 PolarHBondContact O-OG1 2.93Å; E113-W142 HydrophobicContact CG-CZ2 4.36Å; E113-Y171 VanDerWaalsContact CD-OH 3.29Å; E113-Y171 VanDerWaalsContact OE1-CZ 3.31Å; E113-Y171 PolarHBondContact OE1-OH 3.26Å; E113-K175 WeakPolarHBondContact OE1-CE 3.44Å
114	A	98.8	Very high	98.5	Very high	56 Å²	56	52.4 Å²	52.4	46%	0.463	29%	0.289	S	S	.	.	H	α-helix	trans	-61.5	-45.5	177.9	0	0	0	0	0	111	Q110 A111 L116 T117 E118	Q110-A114 WeakPolarHBondContact O-CB 3.43Å; Q110-A114 PolarHBondContact O-N 2.92Å; A111-A114 PolarHBondContact O-N 3.39Å; A114-L116 VanDerWaalsContact C-N 3.35Å; A114-L116 PolarHBondContact O-N 3.45Å; A114-T117 PolarHBondContact O-N 3.45Å; A114-T117 PolarHBondContact O-OG1 2.86Å; A114-T117 VanDerWaalsContact O-OG1 3.07Å; A114-E118 WeakPolarHBondContact O-CB 3.45Å; A114-E118 PolarHBondContact O-N 2.82Å
115	A	98.8	Very high	98.4	Very high	28 Å²	28	55.4 Å²	55.4	23%	0.231	30%	0.301	C	S	.	.	H	α-helix	trans	-64.6	-38.5	175.9	0	0	0	0	0	112.4	A111 E113 K119 L138	A111-A115 WeakPolarHBondContact O-CB 3.5Å; A111-A115 PolarHBondContact O-N 2.5Å; E113-A115 PolarHBondContact O-N 3.21Å; A115-K119 WeakPolarHBondContact O-CB 3.28Å; A115-K119 VanDerWaalsContact O-CG 3.29Å; A115-K119 WeakPolarHBondContact O-CG 3.38Å; A115-K119 PolarHBondContact O-N 3.4Å; A115-K119 VanDerWaalsContact O-N 3.07Å; A115-L138 HydrophobicContact CB-CD1 4.07Å; A115-L138 HydrophobicContact CB-CD2 4.14Å
116	L	98.8	Very high	98.3	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-60.3	-52.6	175.8	170.4	63.1	0	0	0	110.6	T112 E113 A114 K119 L120 I135 L138 H139 Y172	T112-L116 VanDerWaalsContact O-CB 3.28Å; T112-L116 WeakPolarHBondContact O-CB 3.42Å; T112-L116 PolarHBondContact O-N 3.2Å; E113-L116 WeakPolarHBondContact O-CB 3.41Å; E113-L116 PolarHBondContact O-N 3.36Å; A114-L116 VanDerWaalsContact C-N 3.35Å; A114-L116 PolarHBondContact O-N 3.45Å; L116-K119 PolarHBondContact O-N 2.8Å; L116-L120 VanDerWaalsContact O-CB 3.28Å; L116-L120 WeakPolarHBondContact O-CB 3.4Å; L116-L120 PolarHBondContact O-N 2.93Å; L116-I135 HydrophobicContact CD1-CB 4.43Å; L116-I135 HydrophobicContact CD1-CG2 3.77Å; L116-I135 WeakPolarHBondContact CD1-O 3.45Å; L116-L138 HydrophobicContact CB-CB 4.07Å; L116-L138 HydrophobicContact CD1-CB 4.18Å; L116-H139 HydrophobicContact CD1-CB 4.01Å; L116-H139 HydrophobicContact CD2-CB 4.1Å; L116-Y172 HydrophobicContact CD2-CE1 4.37Å
117	T	98.5	Very high	98.1	Very high	19 Å²	19	63.3 Å²	63.3	12%	0.117	34%	0.337	C	S	.	.	H	α-helix	trans	-67.9	-40.1	-175.7	50.2	0	0	0	0	111.7	E113 A114 L120 S121 K175 S176	E113-T117 WeakPolarHBondContact O-CG2 3.4Å; E113-T117 PolarHBondContact O-N 3.4Å; E113-T117 PolarHBondContact O-OG1 2.93Å; A114-T117 PolarHBondContact O-N 3.45Å; A114-T117 PolarHBondContact O-OG1 2.86Å; A114-T117 VanDerWaalsContact O-OG1 3.07Å; T117-L120 PolarHBondContact O-N 3.29Å; T117-S121 PolarHBondContact O-N 2.94Å; T117-S121 PolarHBondContact O-OG 3.48Å; T117-K175 HydrophobicContact CG2-CB 3.84Å; T117-K175 HydrophobicContact CG2-CD 3.77Å; T117-K175 HydrophobicContact CG2-CG 4.47Å; T117-S176 WeakPolarHBondContact CA-OG 3.22Å; T117-S176 PolarHBondContact O-OG 3.27Å
118	E	98.6	Very high	98.1	Very high	123 Å²	123	59.9 Å²	59.9	58%	0.575	32%	0.323	S	S	*	.	H	α-helix	trans	-58.7	-48.9	173	-178.6	-173.2	-172.8	0	0	111.9	A114 L120 S121 N122	A114-E118 WeakPolarHBondContact O-CB 3.45Å; A114-E118 PolarHBondContact O-N 2.82Å; E118-L120 VanDerWaalsContact C-N 3.32Å; E118-L120 PolarHBondContact O-N 3.48Å; E118-S121 WeakPolarHBondContact O-CB 3.29Å; E118-S121 PolarHBondContact O-N 3.43Å; E118-N122 PolarHBondContact O-N 3.39Å; E118-N122 PolarHBondContact O-ND2 3.21Å
119	K	98.7	Very high	98	Very high	53 Å²	53	59.2 Å²	59.2	23%	0.23	33%	0.329	C	S	.	.	H	α-helix	trans	-67.7	-35.6	179.9	-71.8	178.3	-169.2	-70.5	0	112.1	A115 L116 S121 N122 Y123 E134 I135 L138	A115-K119 WeakPolarHBondContact O-CB 3.28Å; A115-K119 VanDerWaalsContact O-CG 3.29Å; A115-K119 WeakPolarHBondContact O-CG 3.38Å; A115-K119 PolarHBondContact O-N 3.4Å; A115-K119 VanDerWaalsContact O-N 3.07Å; L116-K119 PolarHBondContact O-N 2.8Å; K119-S121 VanDerWaalsContact C-N 3.34Å; K119-N122 PolarHBondContact O-N 3.28Å; K119-Y123 WeakPolarHBondContact O-CB 3.26Å; K119-Y123 PolarHBondContact O-N 3.35Å; K119-E134 HydrophobicContact CD-CB 4.02Å; K119-E134 VanDerWaalsContact CE-OE2 3.29Å; K119-E134 WeakPolarHBondContact CE-OE2 3.37Å; K119-E134 IonicContact NZ-OE2 3.28Å; K119-E134 PolarHBondContact NZ-OE2 2.96Å; K119-I135 HydrophobicContact CB-CD1 4.38Å; K119-I135 HydrophobicContact CB-CG1 3.8Å; K119-L138 HydrophobicContact CD-CD1 3.53Å
120	L	98.6	Very high	98	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-63.2	-41.1	174.5	-171.4	59.4	0	0	0	111	L116 T117 E118 N122 Y123 L124 I135 Y172 A180 A183 L184	L116-L120 VanDerWaalsContact O-CB 3.28Å; L116-L120 WeakPolarHBondContact O-CB 3.4Å; L116-L120 PolarHBondContact O-N 2.93Å; T117-L120 PolarHBondContact O-N 3.29Å; E118-L120 VanDerWaalsContact C-N 3.32Å; E118-L120 PolarHBondContact O-N 3.48Å; L120-N122 PolarHBondContact O-N 3.32Å; L120-Y123 WeakPolarHBondContact O-CB 3.24Å; L120-Y123 PolarHBondContact O-N 3.14Å; L120-L124 PolarHBondContact O-N 3.48Å; L120-I135 HydrophobicContact CD1-CD1 4.23Å; L120-I135 HydrophobicContact CD1-CG2 4.32Å; L120-Y172 HydrophobicContact CD2-CD1 4.26Å; L120-A180 HydrophobicContact CD2-CB 3.83Å; L120-A180 HydrophobicContact CG-CB 4Å; L120-A183 HydrophobicContact CD1-CB 4.24Å; L120-L184 HydrophobicContact CD1-CB 4.18Å; L120-L184 HydrophobicContact CD2-CB 4.14Å
121	S	98.6	Very high	98	Very high	36 Å²	36	58.5 Å²	58.5	25%	0.252	34%	0.335	S	S	.	.	H	α-helix	trans	-60.5	-44.7	172.3	-48.4	0	0	0	0	112.4	T117 E118 K119 Y123 L124 S176	T117-S121 PolarHBondContact O-N 2.94Å; T117-S121 PolarHBondContact O-OG 3.48Å; E118-S121 WeakPolarHBondContact O-CB 3.29Å; E118-S121 PolarHBondContact O-N 3.43Å; K119-S121 VanDerWaalsContact C-N 3.34Å; S121-Y123 VanDerWaalsContact C-N 3.29Å; S121-Y123 PolarHBondContact O-N 3.09Å; S121-L124 PolarHBondContact O-N 3.29Å; S121-S176 WeakPolarHBondContact CA-O 3.4Å; S121-S176 WeakPolarHBondContact OG-CA 3.21Å; S121-S176 WeakPolarHBondContact OG-CB 3.45Å; S121-S176 PolarHBondContact OG-O 3.03Å
122	N	98.4	Very high	98	Very high	79 Å²	79	55.8 Å²	55.8	42%	0.422	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-39	178	-69.1	-25.7	0	0	0	111.4	E118 K119 L120 L124 T125 E126 L131	E118-N122 PolarHBondContact O-N 3.39Å; E118-N122 PolarHBondContact O-ND2 3.21Å; K119-N122 PolarHBondContact O-N 3.28Å; L120-N122 PolarHBondContact O-N 3.32Å; N122-L124 VanDerWaalsContact C-N 3.29Å; N122-L124 PolarHBondContact O-N 3.21Å; N122-T125 PolarHBondContact O-N 3.46Å; N122-E126 PolarHBondContact O-N 2.92Å; N122-L131 HydrophobicContact CB-CD1 4.49Å
123	Y	98.4	Very high	98	Very high	26 Å²	26	61.1 Å²	61.1	10%	0.102	34%	0.335	C	S	.	.	H	α-helix	trans	-63.5	-32.9	178.2	-173.4	-97	0	0	0	112.9	K119 L120 S121 T125 E126 E127 L131 A132 I135 A183 I187	K119-Y123 WeakPolarHBondContact O-CB 3.26Å; K119-Y123 PolarHBondContact O-N 3.35Å; L120-Y123 WeakPolarHBondContact O-CB 3.24Å; L120-Y123 PolarHBondContact O-N 3.14Å; S121-Y123 VanDerWaalsContact C-N 3.29Å; S121-Y123 PolarHBondContact O-N 3.09Å; Y123-T125 PolarHBondContact O-N 3.34Å; Y123-E126 CarbonylContact O-C 3.32Å; Y123-E126 PolarHBondContact O-N 3.09Å; Y123-E127 HydrophobicContact CD1-CG 4.27Å; Y123-E127 HydrophobicContact CD2-CB 4.49Å; Y123-E127 HydrophobicContact CE1-CB 4.44Å; Y123-E127 HydrophobicContact CE1-CG 3.85Å; Y123-E127 HydrophobicContact CE2-CB 3.91Å; Y123-E127 HydrophobicContact CE2-CG 4.19Å; Y123-E127 WeakPolarHBondContact O-CG 3.31Å; Y123-E127 PolarHBondContact O-N 3.49Å; Y123-L131 HydrophobicContact CD2-CB 3.94Å; Y123-A132 HydrophobicContact CE2-CB 3.82Å; Y123-I135 HydrophobicContact CD2-CD1 4.24Å; Y123-I135 HydrophobicContact CG-CD1 3.9Å; Y123-A183 HydrophobicContact CD1-CB 4.07Å; Y123-A183 HydrophobicContact CE1-CB 4.13Å; Y123-I187 HydrophobicContact CD1-CD1 3.93Å; Y123-I187 HydrophobicContact CE1-CD1 3.8Å; Y123-I187 HydrophobicContact CE1-CG1 4.27Å; Y123-I187 HydrophobicContact CE2-CD1 4.43Å; Y123-I187 HydrophobicContact CG-CD1 4.28Å
124	L	97.9	Very high	98	Very high	66 Å²	66	62.7 Å²	62.7	35%	0.346	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.2	173.1	-65.2	-175.1	0	0	0	113.5	L120 S121 N122 A180 A183	L120-L124 PolarHBondContact O-N 3.48Å; S121-L124 PolarHBondContact O-N 3.29Å; N122-L124 VanDerWaalsContact C-N 3.29Å; N122-L124 PolarHBondContact O-N 3.21Å; L124-A180 HydrophobicContact CD1-CB 4.09Å; L124-A183 HydrophobicContact CD2-CB 3.95Å
125	T	96.7	Very high	98	Very high	130 Å²	130	60 Å²	60	80%	0.798	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-37.5	177	-47.3	0	0	0	0	111.6	N122 Y123	N122-T125 PolarHBondContact O-N 3.46Å; Y123-T125 PolarHBondContact O-N 3.34Å
126	E	94.6	Very high	98	Very high	133 Å²	133	60.1 Å²	60.1	62%	0.621	32%	0.315	S	S	*	.	S	Bend	trans	-139.7	97.2	-178.6	-167.2	-174	170.5	0	0	111.1	N122 Y123 T128	N122-E126 PolarHBondContact O-N 2.92Å; Y123-E126 CarbonylContact O-C 3.32Å; Y123-E126 PolarHBondContact O-N 3.09Å; E126-T128 HydrophobicContact CG-CG2 3.9Å; E126-T128 PolarHBondContact O-N 2.98Å; E126-T128 VanDerWaalsContact O-N 3.13Å
127	E	94.8	Very high	98	Very high	143 Å²	143	64.7 Å²	64.7	67%	0.668	34%	0.336	S	S	*	.			trans	-73.3	105.3	177.9	-65.6	-177.2	-155.9	0	0	111.1	Y123	Y123-E127 HydrophobicContact CD1-CG 4.27Å; Y123-E127 HydrophobicContact CD2-CB 4.49Å; Y123-E127 HydrophobicContact CE1-CB 4.44Å; Y123-E127 HydrophobicContact CE1-CG 3.85Å; Y123-E127 HydrophobicContact CE2-CB 3.91Å; Y123-E127 HydrophobicContact CE2-CG 4.19Å; Y123-E127 WeakPolarHBondContact O-CG 3.31Å; Y123-E127 PolarHBondContact O-N 3.49Å
128	T	97.3	Very high	98	Very high	35 Å²	35	65.1 Å²	65.1	22%	0.215	34%	0.337	C	S	.	.			trans	-121.7	144.7	173.6	74.8	0	0	0	0	112.2	E126 S130 L131 A132	E126-T128 HydrophobicContact CG-CG2 3.9Å; E126-T128 PolarHBondContact O-N 2.98Å; E126-T128 VanDerWaalsContact O-N 3.13Å; T128-S130 PolarHBondContact O-N 3.01Å; T128-S130 VanDerWaalsContact O-N 3.16Å; T128-L131 PolarHBondContact O-N 3.45Å; T128-L131 WeakPolarHBondContact OG1-CB 3.49Å; T128-L131 WeakPolarHBondContact OG1-CG 3.38Å; T128-L131 PolarHBondContact OG1-N 3.44Å; T128-A132 PolarHBondContact O-N 3.42Å
129	P	97.5	Very high	98	Very high	90 Å²	90	59.2 Å²	59.2	58%	0.584	31%	0.31	S	S	*	.	H	α-helix	trans	-59.8	-24.7	174.4	-26.3	34.9	0	0	0	114.2	K133	P129-K133 VanDerWaalsContact O-CG 3.31Å; P129-K133 WeakPolarHBondContact O-CG 3.46Å; P129-K133 PolarHBondContact O-N 3.46Å
130	S	97.9	Very high	98	Very high	74 Å²	74	59.8 Å²	59.8	52%	0.517	31%	0.312	S	S	.	.	H	α-helix	trans	-71.1	-51.2	175.7	-164.5	0	0	0	0	110.8	T128 A132 K133 E134	T128-S130 PolarHBondContact O-N 3.01Å; T128-S130 VanDerWaalsContact O-N 3.16Å; S130-A132 VanDerWaalsContact C-N 3.31Å; S130-A132 PolarHBondContact O-N 3.39Å; S130-K133 PolarHBondContact O-N 3.15Å; S130-E134 WeakPolarHBondContact O-CG 3.4Å; S130-E134 PolarHBondContact O-N 3.41Å; S130-E134 VanDerWaalsContact O-N 3.07Å; S130-E134 PolarHBondContact OG-OE1 2.91Å
131	L	98.2	Very high	98	Very high	30 Å²	30	62.3 Å²	62.3	16%	0.157	32%	0.324	C	S	.	.	H	α-helix	trans	-59.8	-42.4	177.6	-74.5	176.4	0	0	0	111.4	N122 Y123 T128 K133 E134 I135	N122-L131 HydrophobicContact CB-CD1 4.49Å; Y123-L131 HydrophobicContact CD2-CB 3.94Å; T128-L131 PolarHBondContact O-N 3.45Å; T128-L131 WeakPolarHBondContact OG1-CB 3.49Å; T128-L131 WeakPolarHBondContact OG1-CG 3.38Å; T128-L131 PolarHBondContact OG1-N 3.44Å; L131-K133 VanDerWaalsContact C-N 3.35Å; L131-K133 PolarHBondContact O-N 2.91Å; L131-E134 PolarHBondContact O-N 3.35Å; L131-I135 WeakPolarHBondContact O-CD1 3.38Å; L131-I135 VanDerWaalsContact O-CG1 3.28Å; L131-I135 WeakPolarHBondContact O-CG1 3.34Å; L131-I135 PolarHBondContact O-N 3.29Å
132	A	98.7	Very high	98	Very high	3 Å²	3	62.6 Å²	62.6	3%	0.025	32%	0.32	C	S	.	.	H	α-helix	trans	-58.4	-43.9	177.6	0	0	0	0	0	112.7	Y123 T128 S130 I135 Y136 I187 Y191	Y123-A132 HydrophobicContact CE2-CB 3.82Å; T128-A132 PolarHBondContact O-N 3.42Å; S130-A132 VanDerWaalsContact C-N 3.31Å; S130-A132 PolarHBondContact O-N 3.39Å; A132-I135 PolarHBondContact O-N 2.94Å; A132-Y136 PolarHBondContact O-N 3.26Å; A132-I187 HydrophobicContact CB-CD1 4.25Å; A132-I187 HydrophobicContact CB-CG1 3.97Å; A132-I187 WeakPolarHBondContact O-CG2 3.28Å; A132-Y191 HydrophobicContact CB-CE2 3.63Å
133	K	98.7	Very high	97.9	Very high	120 Å²	120	59.4 Å²	59.4	52%	0.522	30%	0.303	S	S	.	.	H	α-helix	trans	-65.7	-39.2	176.3	-73.9	174.1	-177.6	179.5	0	112.6	P129 S130 L131 Q137 Y191	P129-K133 VanDerWaalsContact O-CG 3.31Å; P129-K133 WeakPolarHBondContact O-CG 3.46Å; P129-K133 PolarHBondContact O-N 3.46Å; S130-K133 PolarHBondContact O-N 3.15Å; L131-K133 VanDerWaalsContact C-N 3.35Å; L131-K133 PolarHBondContact O-N 2.91Å; K133-Q137 WeakPolarHBondContact O-CB 3.2Å; K133-Q137 PolarHBondContact O-N 3.49Å; K133-Y191 HydrophobicContact CD-CE1 4.15Å; K133-Y191 HydrophobicContact CG-CD1 3.87Å; K133-Y191 HydrophobicContact CG-CE1 3.46Å; K133-Y191 VanDerWaalsContact CG-CE1 3.46Å; K133-Y191 HydrophobicContact CG-CE2 4.29Å; K133-Y191 HydrophobicContact CG-CG 4.45Å
134	E	98.7	Very high	97.7	Very high	72 Å²	72	61.4 Å²	61.4	34%	0.336	32%	0.32	S	S	.	.	H	α-helix	trans	-64.4	-44.6	176.1	-71.1	174.6	-142.6	0	0	111.5	K119 S130 L131 Q137 L138	K119-E134 HydrophobicContact CD-CB 4.02Å; K119-E134 VanDerWaalsContact CE-OE2 3.29Å; K119-E134 WeakPolarHBondContact CE-OE2 3.37Å; K119-E134 IonicContact NZ-OE2 3.28Å; K119-E134 PolarHBondContact NZ-OE2 2.96Å; S130-E134 WeakPolarHBondContact O-CG 3.4Å; S130-E134 PolarHBondContact O-N 3.41Å; S130-E134 VanDerWaalsContact O-N 3.07Å; S130-E134 PolarHBondContact OG-OE1 2.91Å; L131-E134 PolarHBondContact O-N 3.35Å; E134-Q137 PolarHBondContact O-N 2.91Å; E134-L138 WeakPolarHBondContact O-CB 3.44Å; E134-L138 WeakPolarHBondContact O-CG 3.45Å; E134-L138 PolarHBondContact O-N 2.92Å
135	I	98.9	Very high	97.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.4	-49.1	175.6	-70.7	162.6	0	0	0	110.6	L116 K119 L120 Y123 L131 A132 Q137 L138 H139 L184 I187	L116-I135 HydrophobicContact CD1-CB 4.43Å; L116-I135 HydrophobicContact CD1-CG2 3.77Å; L116-I135 WeakPolarHBondContact CD1-O 3.45Å; K119-I135 HydrophobicContact CB-CD1 4.38Å; K119-I135 HydrophobicContact CB-CG1 3.8Å; L120-I135 HydrophobicContact CD1-CD1 4.23Å; L120-I135 HydrophobicContact CD1-CG2 4.32Å; Y123-I135 HydrophobicContact CD2-CD1 4.24Å; Y123-I135 HydrophobicContact CG-CD1 3.9Å; L131-I135 WeakPolarHBondContact O-CD1 3.38Å; L131-I135 VanDerWaalsContact O-CG1 3.28Å; L131-I135 WeakPolarHBondContact O-CG1 3.34Å; L131-I135 PolarHBondContact O-N 3.29Å; A132-I135 PolarHBondContact O-N 2.94Å; I135-Q137 VanDerWaalsContact C-N 3.3Å; I135-Q137 PolarHBondContact O-N 2.91Å; I135-L138 PolarHBondContact O-N 3.34Å; I135-H139 WeakPolarHBondContact O-CB 3.31Å; I135-H139 PolarHBondContact O-N 3.31Å; I135-L184 HydrophobicContact CG2-CD1 3.71Å; I135-I187 HydrophobicContact CB-CD1 4.13Å; I135-I187 HydrophobicContact CB-CG2 4.39Å; I135-I187 HydrophobicContact CD1-CD1 3.77Å; I135-I187 HydrophobicContact CG2-CD1 3.81Å; I135-I187 HydrophobicContact CG2-CG2 4.13Å
136	Y	98.8	Very high	97.4	Very high	29 Å²	29	56.7 Å²	56.7	11%	0.114	30%	0.295	C	S	.	.	H	α-helix	trans	-56	-46.1	176.2	165.3	-108.3	0	0	0	111.8	A132 H139 K140 Y150 H155 Y191 A192	A132-Y136 PolarHBondContact O-N 3.26Å; Y136-H139 PolarHBondContact O-N 3.29Å; Y136-K140 WeakPolarHBondContact O-CB 3.38Å; Y136-K140 PolarHBondContact O-N 3.05Å; Y136-Y150 WeakPolarHBondContact CE2-OH 3.4Å; Y136-Y150 PolarHBondContact OH-OH 3.35Å; Y136-H155 AromaticContact CD2-CE1 3.84Å; Y136-H155 AromaticContact CE2-CE1 3.69Å; Y136-H155 AromaticContact CE2-ND1 3.52Å; Y136-Y191 WeakPolarHBondContact CE1-O 3.31Å; Y136-Y191 PolarHBondContact OH-O 3.13Å; Y136-Y191 VanDerWaalsContact OH-O 3.08Å; Y136-A192 HydrophobicContact CE2-CB 3.78Å; Y136-A192 WeakPolarHBondContact OH-CA 3.49Å
137	Q	98.7	Very high	97.2	Very high	98 Å²	98	54 Å²	54	46%	0.458	28%	0.28	S	S	.	.	H	α-helix	trans	-69.9	-37.5	-177.1	-174.8	52.1	29.6	0	0	112.5	K133 E134 I135 E141	K133-Q137 WeakPolarHBondContact O-CB 3.2Å; K133-Q137 PolarHBondContact O-N 3.49Å; E134-Q137 PolarHBondContact O-N 2.91Å; I135-Q137 VanDerWaalsContact C-N 3.3Å; I135-Q137 PolarHBondContact O-N 2.91Å; Q137-E141 WeakPolarHBondContact O-CB 3.46Å; Q137-E141 PolarHBondContact O-N 3.39Å
138	L	98.9	Very high	96.6	Very high	27 Å²	27	56.9 Å²	56.9	14%	0.141	29%	0.29	C	S	.	.	H	α-helix	trans	-66.7	-42.3	173.8	-75	165.2	0	0	0	111.7	T112 A115 L116 K119 E134 I135 E141 W142	T112-L138 HydrophobicContact CG2-CB 4.45Å; T112-L138 HydrophobicContact CG2-CD2 3.96Å; T112-L138 WeakPolarHBondContact CG2-O 3.45Å; A115-L138 HydrophobicContact CB-CD1 4.07Å; A115-L138 HydrophobicContact CB-CD2 4.14Å; L116-L138 HydrophobicContact CB-CB 4.07Å; L116-L138 HydrophobicContact CD1-CB 4.18Å; K119-L138 HydrophobicContact CD-CD1 3.53Å; E134-L138 WeakPolarHBondContact O-CB 3.44Å; E134-L138 WeakPolarHBondContact O-CG 3.45Å; E134-L138 PolarHBondContact O-N 2.92Å; I135-L138 PolarHBondContact O-N 3.34Å; L138-E141 PolarHBondContact O-N 3.43Å; L138-W142 VanDerWaalsContact O-CB 3.31Å; L138-W142 WeakPolarHBondContact O-CB 3.42Å; L138-W142 PolarHBondContact O-N 3.33Å
139	H	98.7	Very high	96.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.4	-41.4	177.4	-170.4	-112.5	0	0	0	111.4	L116 I135 Y136 E141 W142 L143 H155 Y162 Y172 L184 I188	L116-H139 HydrophobicContact CD1-CB 4.01Å; L116-H139 HydrophobicContact CD2-CB 4.1Å; I135-H139 WeakPolarHBondContact O-CB 3.31Å; I135-H139 PolarHBondContact O-N 3.31Å; Y136-H139 PolarHBondContact O-N 3.29Å; H139-E141 PolarHBondContact O-N 2.8Å; H139-W142 AromaticContact CD2-CE3 3.99Å; H139-W142 PolarHBondContact O-N 2.95Å; H139-L143 WeakPolarHBondContact O-CG 3.05Å; H139-L143 PolarHBondContact O-N 2.85Å; H139-H155 AromaticContact CE1-NE2 3.47Å; H139-H155 PolarHBondContact CE1-NE2 3.17Å; H139-H155 AromaticContact CG-NE2 3.95Å; H139-H155 AromaticContact ND1-CD2 3.85Å; H139-H155 AromaticContact ND1-CE1 3.66Å; H139-H155 AromaticContact ND1-NE2 2.8Å; H139-H155 PolarHBondContact ND1-NE2 3.48Å; H139-Y162 AromaticContact CE1-CE2 3.81Å; H139-Y162 AromaticContact NE2-CE2 3.82Å; H139-Y162 PolarHBondContact NE2-OH 2.88Å; H139-Y172 AromaticContact NE2-CZ 3.96Å; H139-Y172 PolarHBondContact NE2-OH 3.19Å; H139-L184 HydrophobicContact CB-CD1 4.23Å; H139-I188 WeakPolarHBondContact ND1-CD1 3.43Å
140	K	98.5	Very high	96	Very high	64 Å²	64	57.7 Å²	57.7	28%	0.278	29%	0.293	S	S	.	.	H	α-helix	trans	-59	-45.4	172	173.4	175.8	178.5	-179.2	0	112.3	Y136 S144 Y150	Y136-K140 WeakPolarHBondContact O-CB 3.38Å; Y136-K140 PolarHBondContact O-N 3.05Å; K140-S144 PolarHBondContact O-N 3.02Å; K140-Y150 HydrophobicContact CB-CE2 4.15Å; K140-Y150 HydrophobicContact CD-CD1 4.34Å; K140-Y150 HydrophobicContact CD-CD2 4.43Å; K140-Y150 HydrophobicContact CD-CE1 3.82Å; K140-Y150 HydrophobicContact CD-CE2 3.91Å; K140-Y150 HydrophobicContact CG-CD2 3.92Å; K140-Y150 HydrophobicContact CG-CE1 4.35Å; K140-Y150 HydrophobicContact CG-CE2 3.58Å; K140-Y150 HydrophobicContact CG-CG 4.43Å
141	E	98.3	Very high	95.9	Very high	54 Å²	54	56.6 Å²	56.6	25%	0.252	29%	0.285	S	S	.	.	H	α-helix	trans	-63.1	-44.4	176.5	-177.6	171.1	-159.3	0	0	111	K108 T112 Q137 L138 H139 L143 S144 F145	K108-E141 WeakPolarHBondContact CE-OE1 3.47Å; K108-E141 IonicContact NZ-OE1 2.69Å; K108-E141 PolarHBondContact NZ-OE1 2.92Å; T112-E141 HydrophobicContact CG2-CB 4.08Å; T112-E141 HydrophobicContact CG2-CG 4.11Å; Q137-E141 WeakPolarHBondContact O-CB 3.46Å; Q137-E141 PolarHBondContact O-N 3.39Å; L138-E141 PolarHBondContact O-N 3.43Å; H139-E141 PolarHBondContact O-N 2.8Å; E141-L143 PolarHBondContact O-N 2.97Å; E141-S144 WeakPolarHBondContact O-CB 3.18Å; E141-S144 PolarHBondContact O-N 2.64Å; E141-S144 PolarHBondContact O-OG 2.71Å; E141-F145 HydrophobicContact CG-CE2 4.13Å; E141-F145 VanDerWaalsContact O-CD2 3.28Å; E141-F145 WeakPolarHBondContact O-CD2 3.44Å
142	W	98.4	Very high	95.8	Very high	42 Å²	42	56 Å²	56	16%	0.159	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-45.9	178.4	-172.1	68.6	0	0	0	112	T112 E113 L138 H139 S144 F145 Y171	T112-W142 HydrophobicContact CG2-CB 3.91Å; E113-W142 HydrophobicContact CG-CZ2 4.36Å; L138-W142 VanDerWaalsContact O-CB 3.31Å; L138-W142 WeakPolarHBondContact O-CB 3.42Å; L138-W142 PolarHBondContact O-N 3.33Å; H139-W142 AromaticContact CD2-CE3 3.99Å; H139-W142 PolarHBondContact O-N 2.95Å; W142-S144 VanDerWaalsContact C-N 3.26Å; W142-S144 PolarHBondContact O-N 3.39Å; W142-F145 WeakPolarHBondContact O-CD2 3.47Å; W142-F145 PolarHBondContact O-N 3.4Å; W142-Y171 HydrophobicContact CH2-CE1 4.15Å; W142-Y171 WeakPolarHBondContact CZ2-OH 3.29Å
143	L	96.6	Very high	95.8	Very high	12 Å²	12	64 Å²	64	6%	0.063	32%	0.323	C	S	.	.	H	α-helix	trans	-62.8	-31.3	175.3	-68.3	176.2	0	0	0	112.5	H139 E141 F145 S146 W147 L158	H139-L143 WeakPolarHBondContact O-CG 3.05Å; H139-L143 PolarHBondContact O-N 2.85Å; E141-L143 PolarHBondContact O-N 2.97Å; L143-F145 PolarHBondContact O-N 2.99Å; L143-S146 PolarHBondContact O-N 3.04Å; L143-S146 PolarHBondContact O-OG 2.89Å; L143-W147 HydrophobicContact CB-CE3 3.99Å; L143-W147 HydrophobicContact CD1-CE3 4.05Å; L143-W147 HydrophobicContact CD1-CZ3 3.81Å; L143-W147 WeakPolarHBondContact O-CA 3.36Å; L143-W147 WeakPolarHBondContact O-CB 3.49Å; L143-W147 PolarHBondContact O-N 3.35Å; L143-L158 HydrophobicContact CD1-CD2 3.67Å; L143-L158 HydrophobicContact CD2-CD2 3.7Å; L143-L158 HydrophobicContact CG-CD2 4.36Å
144	S	95.1	Very high	95.6	Very high	67 Å²	67	59.9 Å²	59.9	47%	0.469	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-24.3	-177.6	78.6	0	0	0	0	114	K97 K140 E141 W142 S146	K97-S144 PolarHBondContact NZ-O 3.22Å; K140-S144 PolarHBondContact O-N 3.02Å; E141-S144 WeakPolarHBondContact O-CB 3.18Å; E141-S144 PolarHBondContact O-N 2.64Å; E141-S144 PolarHBondContact O-OG 2.71Å; W142-S144 VanDerWaalsContact C-N 3.26Å; W142-S144 PolarHBondContact O-N 3.39Å; S144-S146 VanDerWaalsContact C-N 3.28Å; S144-S146 PolarHBondContact O-N 3.36Å
145	F	95.8	Very high	95.6	Very high	24 Å²	24	56.5 Å²	56.5	11%	0.105	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-30	176.7	-69.8	-78.3	0	0	0	112.8	K97 M101 D105 K108 M109 E141 W142 L143	K97-F145 WeakPolarHBondContact CE-O 3.05Å; K97-F145 PolarHBondContact NZ-O 3.08Å; M101-F145 HydrophobicContact CE-CB 4.34Å; D105-F145 HydrophobicContact CB-CD1 4.45Å; D105-F145 HydrophobicContact CB-CE1 4.38Å; D105-F145 WeakPolarHBondContact O-CE1 3.48Å; K108-F145 HydrophobicContact CB-CE1 4.19Å; K108-F145 HydrophobicContact CB-CZ 3.96Å; K108-F145 HydrophobicContact CD-CE1 4.25Å; K108-F145 HydrophobicContact CD-CZ 3.81Å; K108-F145 HydrophobicContact CG-CE1 4.4Å; K108-F145 HydrophobicContact CG-CZ 3.79Å; M109-F145 HydrophobicContact CB-CB 4.33Å; M109-F145 HydrophobicContact CB-CD1 4Å; M109-F145 HydrophobicContact CB-CD2 3.77Å; M109-F145 HydrophobicContact CB-CE1 4.22Å; M109-F145 HydrophobicContact CB-CE2 4.01Å; M109-F145 HydrophobicContact CB-CG 3.77Å; M109-F145 HydrophobicContact CB-CZ 4.22Å; M109-F145 HydrophobicContact CG-CB 3.96Å; M109-F145 HydrophobicContact CG-CD2 3.74Å; M109-F145 HydrophobicContact CG-CE2 4.36Å; M109-F145 HydrophobicContact CG-CG 3.84Å; M109-F145 HydrophobicContact SD-CB 3.87Å; M109-F145 HydrophobicContact SD-CG 4.35Å; E141-F145 HydrophobicContact CG-CE2 4.13Å; E141-F145 VanDerWaalsContact O-CD2 3.28Å; E141-F145 WeakPolarHBondContact O-CD2 3.44Å; W142-F145 WeakPolarHBondContact O-CD2 3.47Å; W142-F145 PolarHBondContact O-N 3.4Å; L143-F145 PolarHBondContact O-N 2.99Å
146	S	91.4	Very high	95.5	Very high	73 Å²	73	59.1 Å²	59.1	51%	0.51	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-37.8	-178.4	59.2	0	0	0	0	112.2	K97 L143 S144	K97-S146 WeakPolarHBondContact CD-O 3.1Å; K97-S146 VanDerWaalsContact NZ-C 3.26Å; K97-S146 PolarHBondContact NZ-O 2.7Å; L143-S146 PolarHBondContact O-N 3.04Å; L143-S146 PolarHBondContact O-OG 2.89Å; S144-S146 VanDerWaalsContact C-N 3.28Å; S144-S146 PolarHBondContact O-N 3.36Å
147	W	90.8	Very high	95.4	Very high	78 Å²	78	59.2 Å²	59.2	30%	0.295	32%	0.317	S	S	.	.			trans	-72.9	140.7	-174.5	-151.5	12.7	0	0	0	112.9	K97 L143 Y150 A154 H155 L158	K97-W147 PolarHBondContact NZ-O 2.93Å; L143-W147 HydrophobicContact CB-CE3 3.99Å; L143-W147 HydrophobicContact CD1-CE3 4.05Å; L143-W147 HydrophobicContact CD1-CZ3 3.81Å; L143-W147 WeakPolarHBondContact O-CA 3.36Å; L143-W147 WeakPolarHBondContact O-CB 3.49Å; L143-W147 PolarHBondContact O-N 3.35Å; W147-Y150 HydrophobicContact CE3-CD2 4.12Å; W147-Y150 AromaticContact CZ3-CD2 3.94Å; W147-Y150 HydrophobicContact CZ3-CD2 3.94Å; W147-Y150 HydrophobicContact CZ3-CE2 4.36Å; W147-A154 VanDerWaalsContact CH2-C 3.43Å; W147-A154 HydrophobicContact CH2-CB 3.56Å; W147-A154 WeakPolarHBondContact CH2-O 3.44Å; W147-A154 HydrophobicContact CZ2-CB 3.52Å; W147-H155 HydrophobicContact CH2-CB 4.42Å; W147-H155 HydrophobicContact CZ3-CB 4.31Å; W147-L158 HydrophobicContact CH2-CB 4.49Å; W147-L158 HydrophobicContact CH2-CD2 4.41Å
148	K	83.1	Confident	95.2	Very high	203 Å²	203	56.6 Å²	56.6	88%	0.883	31%	0.306	S	S	*	.	S	Bend	trans	-75.4	-42.8	-175	-174.8	176.8	-179.6	177.2	0	112.8
149	A	87.5	Confident	95.1	Very high	71 Å²	71	55.3 Å²	55.3	59%	0.587	30%	0.299	S	S	*	.	S	Bend	trans	-147	122.8	-177.3	0	0	0	0	0	109.6
150	Y	93.7	Very high	94.8	Very high	71 Å²	71	60.9 Å²	60.9	28%	0.278	33%	0.326	S	S	.	.			trans	-85	135.1	177.9	178	-90.8	0	0	0	111.1	Y136 K140 W147 H155	Y136-Y150 WeakPolarHBondContact CE2-OH 3.4Å; Y136-Y150 PolarHBondContact OH-OH 3.35Å; K140-Y150 HydrophobicContact CB-CE2 4.15Å; K140-Y150 HydrophobicContact CD-CD1 4.34Å; K140-Y150 HydrophobicContact CD-CD2 4.43Å; K140-Y150 HydrophobicContact CD-CE1 3.82Å; K140-Y150 HydrophobicContact CD-CE2 3.91Å; K140-Y150 HydrophobicContact CG-CD2 3.92Å; K140-Y150 HydrophobicContact CG-CE1 4.35Å; K140-Y150 HydrophobicContact CG-CE2 3.58Å; K140-Y150 HydrophobicContact CG-CG 4.43Å; W147-Y150 HydrophobicContact CE3-CD2 4.12Å; W147-Y150 AromaticContact CZ3-CD2 3.94Å; W147-Y150 HydrophobicContact CZ3-CD2 3.94Å; W147-Y150 HydrophobicContact CZ3-CE2 4.36Å; Y150-H155 HydrophobicContact CE2-CB 3.79Å; Y150-H155 AromaticContact CE2-CG 3.79Å; Y150-H155 AromaticContact CE2-ND1 3.4Å; Y150-H155 WeakPolarHBondContact CE2-ND1 3.2Å; Y150-H155 AromaticContact CZ-ND1 3.65Å; Y150-H155 PolarHBondContact OH-ND1 3.37Å
151	S	96	Very high	94.6	Very high	51 Å²	51	61.4 Å²	61.4	36%	0.357	33%	0.33	S	S	.	.			trans	-139.1	154	158.3	75.1	0	0	0	0	109.9	E153 A154 H155	S151-E153 VanDerWaalsContact C-N 3.31Å; S151-E153 PolarHBondContact O-N 3.44Å; S151-A154 PolarHBondContact O-N 3.25Å; S151-A154 WeakPolarHBondContact OG-CB 3.48Å; S151-A154 PolarHBondContact OG-N 2.91Å; S151-H155 WeakPolarHBondContact O-CB 3.26Å; S151-H155 PolarHBondContact O-N 3Å
152	G	96.5	Very high	94.5	Very high	18 Å²	18	59.3 Å²	59.3	19%	0.186	32%	0.32	C	S	.	.	H	α-helix	trans	-61	-41.4	176.7	0	0	0	0	0	112.1	A154 H155 K156 A192	G152-A154 PolarHBondContact O-N 3.12Å; G152-H155 WeakPolarHBondContact O-CB 3.5Å; G152-H155 PolarHBondContact O-N 3.31Å; G152-K156 WeakPolarHBondContact O-CG 3.47Å; G152-K156 PolarHBondContact O-N 3.18Å; G152-A192 WeakPolarHBondContact CA-O 3.3Å
153	E	97.5	Very high	94.3	Very high	169 Å²	169	61.3 Å²	61.3	79%	0.79	33%	0.333	S	S	*	.	H	α-helix	trans	-60.2	-46.5	175.7	-176.8	177.1	-160.8	0	0	112.3	S151 H155 K156 G157	S151-E153 VanDerWaalsContact C-N 3.31Å; S151-E153 PolarHBondContact O-N 3.44Å; E153-H155 VanDerWaalsContact C-N 3.26Å; E153-H155 PolarHBondContact O-N 2.97Å; E153-K156 PolarHBondContact O-N 2.99Å; E153-G157 PolarHBondContact O-N 3.06Å
154	A	95.9	Very high	94.2	Very high	35 Å²	35	64.9 Å²	64.9	29%	0.289	37%	0.365	S	S	.	.	H	α-helix	trans	-64.1	-36.3	177.3	0	0	0	0	0	111.2	W147 S151 G152 G157 L158	W147-A154 VanDerWaalsContact CH2-C 3.43Å; W147-A154 HydrophobicContact CH2-CB 3.56Å; W147-A154 WeakPolarHBondContact CH2-O 3.44Å; W147-A154 HydrophobicContact CZ2-CB 3.52Å; S151-A154 PolarHBondContact O-N 3.25Å; S151-A154 WeakPolarHBondContact OG-CB 3.48Å; S151-A154 PolarHBondContact OG-N 2.91Å; G152-A154 PolarHBondContact O-N 3.12Å; A154-G157 PolarHBondContact O-N 3Å; A154-L158 WeakPolarHBondContact O-CB 3.4Å; A154-L158 PolarHBondContact O-N 3.47Å
155	H	97.9	Very high	94	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-66	-40.7	178.9	-166.5	-177	0	0	0	111.6	Y136 H139 W147 Y150 S151 G152 E153 L158 A159 I188 A192	Y136-H155 AromaticContact CD2-CE1 3.84Å; Y136-H155 AromaticContact CE2-CE1 3.69Å; Y136-H155 AromaticContact CE2-ND1 3.52Å; H139-H155 AromaticContact CE1-NE2 3.47Å; H139-H155 PolarHBondContact CE1-NE2 3.17Å; H139-H155 AromaticContact CG-NE2 3.95Å; H139-H155 AromaticContact ND1-CD2 3.85Å; H139-H155 AromaticContact ND1-CE1 3.66Å; H139-H155 AromaticContact ND1-NE2 2.8Å; H139-H155 PolarHBondContact ND1-NE2 3.48Å; W147-H155 HydrophobicContact CH2-CB 4.42Å; W147-H155 HydrophobicContact CZ3-CB 4.31Å; Y150-H155 HydrophobicContact CE2-CB 3.79Å; Y150-H155 AromaticContact CE2-CG 3.79Å; Y150-H155 AromaticContact CE2-ND1 3.4Å; Y150-H155 WeakPolarHBondContact CE2-ND1 3.2Å; Y150-H155 AromaticContact CZ-ND1 3.65Å; Y150-H155 PolarHBondContact OH-ND1 3.37Å; S151-H155 WeakPolarHBondContact O-CB 3.26Å; S151-H155 PolarHBondContact O-N 3Å; G152-H155 WeakPolarHBondContact O-CB 3.5Å; G152-H155 PolarHBondContact O-N 3.31Å; E153-H155 VanDerWaalsContact C-N 3.26Å; E153-H155 PolarHBondContact O-N 2.97Å; H155-L158 PolarHBondContact O-N 2.88Å; H155-A159 WeakPolarHBondContact O-CB 3.48Å; H155-A159 PolarHBondContact O-N 3.47Å; H155-I188 HydrophobicContact CB-CG2 4.35Å; H155-I188 VanDerWaalsContact CD2-CG2 3.5Å; H155-I188 WeakPolarHBondContact CD2-CG2 3.29Å; H155-I188 WeakPolarHBondContact NE2-CD1 3.43Å; H155-A192 HydrophobicContact CB-CB 4.2Å
156	K	97.8	Very high	94	Very high	56 Å²	56	70.2 Å²	70.2	24%	0.243	38%	0.383	C	S	.	.	H	α-helix	trans	-62.5	-47.4	172.3	-69	-176.1	-175.4	-172.6	0	111.9	G152 E153 L158 A159 E160 Q189 A192	G152-K156 WeakPolarHBondContact O-CG 3.47Å; G152-K156 PolarHBondContact O-N 3.18Å; E153-K156 PolarHBondContact O-N 2.99Å; K156-L158 VanDerWaalsContact C-N 3.29Å; K156-L158 PolarHBondContact O-N 2.86Å; K156-A159 WeakPolarHBondContact O-CB 3.48Å; K156-A159 PolarHBondContact O-N 2.8Å; K156-A159 VanDerWaalsContact O-N 3.12Å; K156-E160 WeakPolarHBondContact O-CG 3.4Å; K156-E160 PolarHBondContact O-N 2.98Å; K156-Q189 VanDerWaalsContact CE-O 3.23Å; K156-Q189 WeakPolarHBondContact CE-O 3.47Å; K156-Q189 PolarHBondContact NZ-O 3.49Å; K156-Q189 PolarHBondContact O-NE2 3.07Å; K156-A192 HydrophobicContact CD-CB 4.41Å; K156-A192 WeakPolarHBondContact CE-OXT 3.5Å; K156-A192 HydrophobicContact CG-CB 3.84Å; K156-A192 PolarHBondContact NZ-OXT 3.35Å
157	G	95.6	Very high	94.1	Very high	31 Å²	31	71.3 Å²	71.3	32%	0.32	38%	0.377	S	S	.	.	H	α-helix	trans	-60	-38.6	177.2	0	0	0	0	0	112.9	E153 A154 M161	E153-G157 PolarHBondContact O-N 3.06Å; A154-G157 PolarHBondContact O-N 3Å; G157-M161 WeakPolarHBondContact O-CG 3.41Å; G157-M161 PolarHBondContact O-N 2.78Å
158	L	94.8	Very high	94.3	Very high	42 Å²	42	71 Å²	71	22%	0.22	38%	0.377	C	S	.	.	H	α-helix	trans	-64.3	-45.7	173.3	179.1	65.2	0	0	0	111.7	L143 W147 A154 H155 K156 E160 M161 Y162	L143-L158 HydrophobicContact CD1-CD2 3.67Å; L143-L158 HydrophobicContact CD2-CD2 3.7Å; L143-L158 HydrophobicContact CG-CD2 4.36Å; W147-L158 HydrophobicContact CH2-CB 4.49Å; W147-L158 HydrophobicContact CH2-CD2 4.41Å; A154-L158 WeakPolarHBondContact O-CB 3.4Å; A154-L158 PolarHBondContact O-N 3.47Å; H155-L158 PolarHBondContact O-N 2.88Å; K156-L158 VanDerWaalsContact C-N 3.29Å; K156-L158 PolarHBondContact O-N 2.86Å; L158-E160 VanDerWaalsContact C-N 3.31Å; L158-E160 PolarHBondContact O-N 2.83Å; L158-M161 WeakPolarHBondContact O-CB 3.44Å; L158-M161 PolarHBondContact O-N 2.95Å; L158-M161 VanDerWaalsContact O-N 3.09Å; L158-Y162 HydrophobicContact CD1-CE1 3.91Å; L158-Y162 HydrophobicContact CG-CE1 3.93Å; L158-Y162 PolarHBondContact O-N 3.34Å
159	A	96.5	Very high	94.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-61.7	-38.3	-179.6	0	0	0	0	0	112.3	H155 K156 M161 Y162 V185 I188	H155-A159 WeakPolarHBondContact O-CB 3.48Å; H155-A159 PolarHBondContact O-N 3.47Å; K156-A159 WeakPolarHBondContact O-CB 3.48Å; K156-A159 PolarHBondContact O-N 2.8Å; K156-A159 VanDerWaalsContact O-N 3.12Å; A159-M161 PolarHBondContact O-N 3.07Å; A159-Y162 WeakPolarHBondContact O-CB 3.24Å; A159-Y162 PolarHBondContact O-N 3.43Å; A159-Y162 VanDerWaalsContact O-N 3.09Å; A159-V185 HydrophobicContact CB-CG1 4.31Å; A159-V185 HydrophobicContact CB-CG2 4.16Å; A159-V185 WeakPolarHBondContact O-CG2 3.5Å; A159-I188 HydrophobicContact CB-CB 4.01Å; A159-I188 HydrophobicContact CB-CD1 3.79Å; A159-I188 HydrophobicContact CB-CG2 3.79Å
160	E	93.7	Very high	95.4	Very high	118 Å²	118	65 Å²	65	55%	0.551	34%	0.343	S	S	*	.	H	α-helix	trans	-59.3	-34	174.7	-73.4	165.6	-162.1	0	0	112.4	K156 L158 Y162 Q189	K156-E160 WeakPolarHBondContact O-CG 3.4Å; K156-E160 PolarHBondContact O-N 2.98Å; L158-E160 VanDerWaalsContact C-N 3.31Å; L158-E160 PolarHBondContact O-N 2.83Å; E160-Y162 VanDerWaalsContact C-N 3.29Å; E160-Y162 PolarHBondContact O-N 2.89Å; E160-Q189 PolarHBondContact OE1-NE2 2.89Å; E160-Q189 VanDerWaalsContact OE1-NE2 3.08Å
161	M	93.7	Very high	95.6	Very high	75 Å²	75	65 Å²	65	37%	0.369	34%	0.343	S	S	.	.	H	α-helix	trans	-71.8	-22	178.3	-64.1	177.7	62.7	0	0	113.2	G157 L158 A159 L163 A164 D165	G157-M161 WeakPolarHBondContact O-CG 3.41Å; G157-M161 PolarHBondContact O-N 2.78Å; L158-M161 WeakPolarHBondContact O-CB 3.44Å; L158-M161 PolarHBondContact O-N 2.95Å; L158-M161 VanDerWaalsContact O-N 3.09Å; A159-M161 PolarHBondContact O-N 3.07Å; M161-L163 VanDerWaalsContact C-N 3.3Å; M161-L163 PolarHBondContact O-N 2.95Å; M161-A164 PolarHBondContact O-N 3.42Å; M161-A164 VanDerWaalsContact O-N 3.14Å; M161-D165 PolarHBondContact O-N 3.27Å
162	Y	96.7	Very high	95.7	Very high	9 Å²	9	62.7 Å²	62.7	4%	0.035	33%	0.327	C	S	.	.	H	α-helix	trans	-66.9	-31	-177.8	-68.2	-17.2	0	0	0	113.3	H139 L158 A159 E160 F168 T169 Y172 L184	H139-Y162 AromaticContact CE1-CE2 3.81Å; H139-Y162 AromaticContact NE2-CE2 3.82Å; H139-Y162 PolarHBondContact NE2-OH 2.88Å; L158-Y162 HydrophobicContact CD1-CE1 3.91Å; L158-Y162 HydrophobicContact CG-CE1 3.93Å; L158-Y162 PolarHBondContact O-N 3.34Å; A159-Y162 WeakPolarHBondContact O-CB 3.24Å; A159-Y162 PolarHBondContact O-N 3.43Å; A159-Y162 VanDerWaalsContact O-N 3.09Å; E160-Y162 VanDerWaalsContact C-N 3.29Å; E160-Y162 PolarHBondContact O-N 2.89Å; Y162-F168 HydrophobicContact CD1-CB 3.64Å; Y162-F168 AromaticContact CD1-CD1 3.7Å; Y162-F168 HydrophobicContact CD1-CD1 3.7Å; Y162-F168 HydrophobicContact CD1-CD2 4.01Å; Y162-F168 HydrophobicContact CD1-CE1 4.36Å; Y162-F168 AromaticContact CD1-CG 3.51Å; Y162-F168 HydrophobicContact CD1-CG 3.51Å; Y162-F168 HydrophobicContact CE1-CB 4.45Å; Y162-F168 AromaticContact CE1-CD1 3.74Å; Y162-F168 HydrophobicContact CE1-CD1 3.74Å; Y162-F168 HydrophobicContact CE1-CE1 4.15Å; Y162-F168 HydrophobicContact CE1-CG 4.06Å; Y162-F168 HydrophobicContact CG-CB 4.01Å; Y162-F168 HydrophobicContact CG-CG 4.37Å; Y162-T169 PolarHBondContact O-N 3.38Å; Y162-T169 PolarHBondContact O-OG1 3.24Å; Y162-Y172 AromaticContact CD2-CE2 3.82Å; Y162-Y172 HydrophobicContact CD2-CE2 3.82Å; Y162-Y172 AromaticContact CE2-CE2 3.63Å; Y162-Y172 HydrophobicContact CE2-CE2 3.63Å; Y162-Y172 AromaticContact CE2-CZ 3.95Å; Y162-Y172 HydrophobicContact CG-CE2 4.4Å; Y162-Y172 PolarHBondContact OH-OH 3.27Å; Y162-L184 HydrophobicContact CE2-CD2 4.35Å
163	L	93.8	Very high	95.8	Very high	84 Å²	84	63.8 Å²	63.8	44%	0.44	33%	0.328	S	S	.	.	H	α-helix	trans	-85.5	-15.5	175	-61.9	175.2	0	0	0	112.6	M161 T181 E182 V185	M161-L163 VanDerWaalsContact C-N 3.3Å; M161-L163 PolarHBondContact O-N 2.95Å; L163-T181 HydrophobicContact CD2-CG2 3.79Å; L163-E182 HydrophobicContact CD2-CG 3.78Å; L163-V185 HydrophobicContact CD1-CB 4.38Å; L163-V185 HydrophobicContact CD1-CG1 4.21Å; L163-V185 HydrophobicContact CD1-CG2 4.29Å; L163-V185 HydrophobicContact CG-CG2 4.13Å
164	A	93.3	Very high	95.8	Very high	88 Å²	88	62.3 Å²	62.3	73%	0.727	32%	0.321	S	S	*	.	H	α-helix	trans	-85.6	-15.7	179.5	0	0	0	0	0	113.3	M161	M161-A164 PolarHBondContact O-N 3.42Å; M161-A164 VanDerWaalsContact O-N 3.14Å
165	D	92.9	Very high	95.9	Very high	39 Å²	39	64.7 Å²	64.7	21%	0.209	33%	0.325	C	S	.	.	S	Bend	trans	-134.9	111.6	-179.1	176.2	-17.5	0	0	0	109.5	M161 R167 F168 T169	M161-D165 PolarHBondContact O-N 3.27Å; D165-R167 PolarHBondContact O-N 2.89Å; D165-R167 VanDerWaalsContact OD1-CB 3.23Å; D165-R167 WeakPolarHBondContact OD1-CB 3.33Å; D165-R167 VanDerWaalsContact OD1-CG 3.24Å; D165-R167 WeakPolarHBondContact OD1-CG 3.28Å; D165-R167 IonicContact OD1-CZ 3.18Å; D165-R167 PolarHBondContact OD1-N 3.44Å; D165-R167 IonicContact OD1-NE 3.75Å; D165-R167 PolarHBondContact OD1-NE 3.29Å; D165-R167 IonicContact OD2-CZ 3.1Å; D165-R167 VanDerWaalsContact OD2-CZ 3.28Å; D165-R167 IonicContact OD2-NE 2.85Å; D165-R167 PolarHBondContact OD2-NE 2.95Å; D165-R167 VanDerWaalsContact OD2-NE 3.09Å; D165-R167 IonicContact OD2-NH2 3.85Å; D165-R167 PolarHBondContact OD2-NH2 2.99Å; D165-F168 HydrophobicContact CB-CD2 3.78Å; D165-F168 HydrophobicContact CB-CE2 4.07Å; D165-F168 PolarHBondContact O-N 2.94Å; D165-T169 PolarHBondContact O-N 2.93Å
166	E	94.8	Very high	95.9	Very high	163 Å²	163	65.2 Å²	65.2	76%	0.762	33%	0.329	S	S	*	.	H	α-helix	trans	-54.8	-25.1	-174.3	-66.3	179.1	175.4	0	0	112.9	F168 T169 Q170	E166-F168 VanDerWaalsContact C-N 3.27Å; E166-F168 PolarHBondContact O-N 3.48Å; E166-T169 PolarHBondContact O-N 2.89Å; E166-Q170 WeakPolarHBondContact O-CB 3.5Å; E166-Q170 PolarHBondContact O-N 3.07Å
167	R	94.5	Very high	95.9	Very high	97 Å²	97	63.9 Å²	63.9	37%	0.366	33%	0.331	S	S	.	.	H	α-helix	trans	-60.4	-37.8	176.5	-60	178.2	-65.9	-178.3	1.5	111.8	E81 D165 Y171	E81-R167 IonicContact OE1-CZ 2.64Å; E81-R167 IonicContact OE1-NH1 2.72Å; E81-R167 PolarHBondContact OE1-NH1 3.29Å; E81-R167 IonicContact OE1-NH2 2.87Å; E81-R167 PolarHBondContact OE1-NH2 3.41Å; E81-R167 IonicContact OE2-CZ 2.79Å; E81-R167 IonicContact OE2-NH1 2.82Å; E81-R167 PolarHBondContact OE2-NH1 3.42Å; E81-R167 IonicContact OE2-NH2 2.75Å; D165-R167 PolarHBondContact O-N 2.89Å; D165-R167 VanDerWaalsContact OD1-CB 3.23Å; D165-R167 WeakPolarHBondContact OD1-CB 3.33Å; D165-R167 VanDerWaalsContact OD1-CG 3.24Å; D165-R167 WeakPolarHBondContact OD1-CG 3.28Å; D165-R167 IonicContact OD1-CZ 3.18Å; D165-R167 PolarHBondContact OD1-N 3.44Å; D165-R167 IonicContact OD1-NE 3.75Å; D165-R167 PolarHBondContact OD1-NE 3.29Å; D165-R167 IonicContact OD2-CZ 3.1Å; D165-R167 VanDerWaalsContact OD2-CZ 3.28Å; D165-R167 IonicContact OD2-NE 2.85Å; D165-R167 PolarHBondContact OD2-NE 2.95Å; D165-R167 VanDerWaalsContact OD2-NE 3.09Å; D165-R167 IonicContact OD2-NH2 3.85Å; D165-R167 PolarHBondContact OD2-NH2 2.99Å; R167-Y171 WeakPolarHBondContact O-CB 3.5Å; R167-Y171 PolarHBondContact O-N 3.05Å
168	F	94.3	Very high	96	Very high	70 Å²	70	66.9 Å²	66.9	31%	0.307	35%	0.353	S	S	.	.	H	α-helix	trans	-77	-38	176.5	-62.8	-67.5	0	0	0	111.5	Y162 D165 E166 Y171 Y172	Y162-F168 HydrophobicContact CD1-CB 3.64Å; Y162-F168 AromaticContact CD1-CD1 3.7Å; Y162-F168 HydrophobicContact CD1-CD1 3.7Å; Y162-F168 HydrophobicContact CD1-CD2 4.01Å; Y162-F168 HydrophobicContact CD1-CE1 4.36Å; Y162-F168 AromaticContact CD1-CG 3.51Å; Y162-F168 HydrophobicContact CD1-CG 3.51Å; Y162-F168 HydrophobicContact CE1-CB 4.45Å; Y162-F168 AromaticContact CE1-CD1 3.74Å; Y162-F168 HydrophobicContact CE1-CD1 3.74Å; Y162-F168 HydrophobicContact CE1-CE1 4.15Å; Y162-F168 HydrophobicContact CE1-CG 4.06Å; Y162-F168 HydrophobicContact CG-CB 4.01Å; Y162-F168 HydrophobicContact CG-CG 4.37Å; D165-F168 HydrophobicContact CB-CD2 3.78Å; D165-F168 HydrophobicContact CB-CE2 4.07Å; D165-F168 PolarHBondContact O-N 2.94Å; E166-F168 VanDerWaalsContact C-N 3.27Å; E166-F168 PolarHBondContact O-N 3.48Å; F168-Y171 WeakPolarHBondContact O-CB 3.32Å; F168-Y171 PolarHBondContact O-N 2.78Å; F168-Y172 WeakPolarHBondContact O-CD2 3.28Å; F168-Y172 PolarHBondContact O-N 3.33Å
169	T	96.3	Very high	96.1	Very high	38 Å²	38	66 Å²	66	23%	0.233	35%	0.354	C	S	.	.	H	α-helix	trans	-62.1	-48.2	176.4	-60.8	0	0	0	0	111	Y162 D165 E166 Y171 Y172 D173 T181	Y162-T169 PolarHBondContact O-N 3.38Å; Y162-T169 PolarHBondContact O-OG1 3.24Å; D165-T169 PolarHBondContact O-N 2.93Å; E166-T169 PolarHBondContact O-N 2.89Å; T169-Y171 VanDerWaalsContact C-N 3.26Å; T169-Y171 PolarHBondContact O-N 2.94Å; T169-Y172 PolarHBondContact O-N 2.89Å; T169-D173 VanDerWaalsContact O-CB 3.29Å; T169-D173 WeakPolarHBondContact O-CB 3.32Å; T169-D173 PolarHBondContact O-N 3.43Å; T169-T181 VanDerWaalsContact CA-OG1 3.31Å; T169-T181 WeakPolarHBondContact CA-OG1 3.42Å; T169-T181 PolarHBondContact O-OG1 3.34Å
170	Q	97.6	Very high	96.2	Very high	112 Å²	112	66 Å²	66	52%	0.523	35%	0.354	S	S	.	.	H	α-helix	trans	-57.2	-39.9	173.7	-106.1	-173.1	-52.2	0	0	112.2	E166 Y172 D173 E174	E166-Q170 WeakPolarHBondContact O-CB 3.5Å; E166-Q170 PolarHBondContact O-N 3.07Å; Q170-Y172 VanDerWaalsContact C-N 3.35Å; Q170-Y172 PolarHBondContact O-N 2.89Å; Q170-D173 PolarHBondContact O-N 3.43Å; Q170-E174 PolarHBondContact NE2-OE1 2.93Å; Q170-E174 VanDerWaalsContact O-CB 3.24Å; Q170-E174 WeakPolarHBondContact O-CB 3.35Å; Q170-E174 VanDerWaalsContact O-CG 3.26Å; Q170-E174 WeakPolarHBondContact O-CG 3.36Å; Q170-E174 PolarHBondContact O-N 3.46Å
171	Y	97.4	Very high	96.4	Very high	70 Å²	70	60.4 Å²	60.4	28%	0.275	33%	0.328	S	S	.	.	H	α-helix	trans	-57.3	-45.2	-175.6	-178.8	-88.7	0	0	0	113.4	E113 W142 R167 F168 T169 K175	E113-Y171 VanDerWaalsContact CD-OH 3.29Å; E113-Y171 VanDerWaalsContact OE1-CZ 3.31Å; E113-Y171 PolarHBondContact OE1-OH 3.26Å; W142-Y171 HydrophobicContact CH2-CE1 4.15Å; W142-Y171 WeakPolarHBondContact CZ2-OH 3.29Å; R167-Y171 WeakPolarHBondContact O-CB 3.5Å; R167-Y171 PolarHBondContact O-N 3.05Å; F168-Y171 WeakPolarHBondContact O-CB 3.32Å; F168-Y171 PolarHBondContact O-N 2.78Å; T169-Y171 VanDerWaalsContact C-N 3.26Å; T169-Y171 PolarHBondContact O-N 2.94Å; Y171-K175 HydrophobicContact CE1-CD 4.41Å; Y171-K175 VanDerWaalsContact CE1-NZ 3.33Å; Y171-K175 VanDerWaalsContact CG-NZ 3.33Å; Y171-K175 WeakPolarHBondContact O-CG 3.44Å; Y171-K175 PolarHBondContact O-NZ 3.43Å
172	Y	98.1	Very high	96.6	Very high	3 Å²	3	62.2 Å²	62.2	1%	0.012	34%	0.335	C	S	.	.	H	α-helix	trans	-85	-39.6	179.6	-64.9	-75.8	0	0	0	111.5	L116 L120 H139 Y162 F168 T169 Q170 E174 K175 S176 T181 L184	L116-Y172 HydrophobicContact CD2-CE1 4.37Å; L120-Y172 HydrophobicContact CD2-CD1 4.26Å; H139-Y172 AromaticContact NE2-CZ 3.96Å; H139-Y172 PolarHBondContact NE2-OH 3.19Å; Y162-Y172 AromaticContact CD2-CE2 3.82Å; Y162-Y172 HydrophobicContact CD2-CE2 3.82Å; Y162-Y172 AromaticContact CE2-CE2 3.63Å; Y162-Y172 HydrophobicContact CE2-CE2 3.63Å; Y162-Y172 AromaticContact CE2-CZ 3.95Å; Y162-Y172 HydrophobicContact CG-CE2 4.4Å; Y162-Y172 PolarHBondContact OH-OH 3.27Å; F168-Y172 WeakPolarHBondContact O-CD2 3.28Å; F168-Y172 PolarHBondContact O-N 3.33Å; T169-Y172 PolarHBondContact O-N 2.89Å; Q170-Y172 VanDerWaalsContact C-N 3.35Å; Q170-Y172 PolarHBondContact O-N 2.89Å; Y172-E174 VanDerWaalsContact C-N 3.34Å; Y172-E174 PolarHBondContact O-N 3.02Å; Y172-K175 PolarHBondContact O-N 3.08Å; Y172-K175 VanDerWaalsContact O-N 3.15Å; Y172-S176 WeakPolarHBondContact O-CB 3.31Å; Y172-S176 PolarHBondContact O-N 3.28Å; Y172-T181 WeakPolarHBondContact CB-OG1 3.14Å; Y172-T181 HydrophobicContact CD2-CG2 4.43Å; Y172-L184 HydrophobicContact CD1-CD2 3.74Å; Y172-L184 HydrophobicContact CD2-CD2 4.06Å; Y172-L184 HydrophobicContact CE1-CD2 3.44Å; Y172-L184 VanDerWaalsContact CE1-CD2 3.44Å; Y172-L184 HydrophobicContact CE2-CD2 3.79Å; Y172-L184 HydrophobicContact CG-CD2 4.04Å; Y172-L184 VanDerWaalsContact CZ-CD2 3.47Å
173	D	98.5	Very high	96.7	Very high	41 Å²	41	62.3 Å²	62.3	22%	0.219	34%	0.338	C	S	.	.	H	α-helix	trans	-65.8	-36	-177.9	-76.9	32	0	0	0	112.3	T169 Q170 K175 G177 G179 A180 T181	T169-D173 VanDerWaalsContact O-CB 3.29Å; T169-D173 WeakPolarHBondContact O-CB 3.32Å; T169-D173 PolarHBondContact O-N 3.43Å; Q170-D173 PolarHBondContact O-N 3.43Å; D173-K175 VanDerWaalsContact C-N 3.32Å; D173-K175 PolarHBondContact O-N 3.35Å; D173-G177 WeakPolarHBondContact CA-O 2.86Å; D173-G177 CarbonylContact O-C 3.42Å; D173-G177 VanDerWaalsContact O-CA 3.26Å; D173-G177 WeakPolarHBondContact O-CA 3.45Å; D173-G177 PolarHBondContact O-N 3.47Å; D173-G179 PolarHBondContact OD2-N 2.94Å; D173-A180 PolarHBondContact OD1-N 3.49Å; D173-T181 WeakPolarHBondContact OD1-CB 3.39Å; D173-T181 PolarHBondContact OD1-N 2.97Å; D173-T181 PolarHBondContact OD1-OG1 2.81Å
174	E	98.1	Very high	96.9	Very high	138 Å²	138	58.3 Å²	58.3	65%	0.645	32%	0.317	S	S	*	.	H	α-helix	trans	-68.2	-30.2	174.7	-72.6	179.3	178.9	0	0	113	Q170 Y172	Q170-E174 PolarHBondContact NE2-OE1 2.93Å; Q170-E174 VanDerWaalsContact O-CB 3.24Å; Q170-E174 WeakPolarHBondContact O-CB 3.35Å; Q170-E174 VanDerWaalsContact O-CG 3.26Å; Q170-E174 WeakPolarHBondContact O-CG 3.36Å; Q170-E174 PolarHBondContact O-N 3.46Å; Y172-E174 VanDerWaalsContact C-N 3.34Å; Y172-E174 PolarHBondContact O-N 3.02Å
175	K	97.8	Very high	97.2	Very high	84 Å²	84	54.7 Å²	54.7	37%	0.365	29%	0.286	S	S	.	.	H	α-helix	trans	-87.5	-32.5	-178.7	-68.5	-173.2	-169.3	71.8	0	113.2	E113 T117 Y171 Y172 D173	E113-K175 WeakPolarHBondContact OE1-CE 3.44Å; T117-K175 HydrophobicContact CG2-CB 3.84Å; T117-K175 HydrophobicContact CG2-CD 3.77Å; T117-K175 HydrophobicContact CG2-CG 4.47Å; Y171-K175 HydrophobicContact CE1-CD 4.41Å; Y171-K175 VanDerWaalsContact CE1-NZ 3.33Å; Y171-K175 VanDerWaalsContact CG-NZ 3.33Å; Y171-K175 WeakPolarHBondContact O-CG 3.44Å; Y171-K175 PolarHBondContact O-NZ 3.43Å; Y172-K175 PolarHBondContact O-N 3.08Å; Y172-K175 VanDerWaalsContact O-N 3.15Å; D173-K175 VanDerWaalsContact C-N 3.32Å; D173-K175 PolarHBondContact O-N 3.35Å
176	S	98	Very high	97.4	Very high	11 Å²	11	58.4 Å²	58.4	8%	0.077	30%	0.302	C	S	.	.	H	α-helix	trans	-121.4	-17.8	-168.7	-65.8	0	0	0	0	115.1	T117 S121 Y172	T117-S176 WeakPolarHBondContact CA-OG 3.22Å; T117-S176 PolarHBondContact O-OG 3.27Å; S121-S176 WeakPolarHBondContact CA-O 3.4Å; S121-S176 WeakPolarHBondContact OG-CA 3.21Å; S121-S176 WeakPolarHBondContact OG-CB 3.45Å; S121-S176 PolarHBondContact OG-O 3.03Å; Y172-S176 WeakPolarHBondContact O-CB 3.31Å; Y172-S176 PolarHBondContact O-N 3.28Å
177	G	97.4	Very high	97.6	Very high	29 Å²	29	50.8 Å²	50.8	30%	0.299	27%	0.266	S	S	.	.			trans	117.1	158.2	-177.8	0	0	0	0	0	112.8	D173 G179 A180	D173-G177 WeakPolarHBondContact CA-O 2.86Å; D173-G177 CarbonylContact O-C 3.42Å; D173-G177 VanDerWaalsContact O-CA 3.26Å; D173-G177 WeakPolarHBondContact O-CA 3.45Å; D173-G177 PolarHBondContact O-N 3.47Å; G177-G179 PolarHBondContact O-N 2.89Å; G177-A180 WeakPolarHBondContact O-CB 3.23Å; G177-A180 PolarHBondContact O-N 3.42Å
178	A	97.1	Very high	97.8	Very high	93 Å²	93	46.2 Å²	46.2	77%	0.769	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	130.9	-179.5	0	0	0	0	0	111.5
179	G	96.9	Very high	98	Very high	24 Å²	24	45.9 Å²	45.9	25%	0.247	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	-0.8	-176	0	0	0	0	0	114.5	D173 G177 T181 E182 A183	D173-G179 PolarHBondContact OD2-N 2.94Å; G177-G179 PolarHBondContact O-N 2.89Å; G179-T181 VanDerWaalsContact C-N 3.28Å; G179-T181 PolarHBondContact O-N 3.33Å; G179-E182 PolarHBondContact O-N 3.36Å; G179-A183 PolarHBondContact O-N 3.02Å
180	A	98.3	Very high	98.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-56.6	-41.5	175.2	0	0	0	0	0	112.3	L120 L124 D173 G177 A183 L184	L120-A180 HydrophobicContact CD2-CB 3.83Å; L120-A180 HydrophobicContact CG-CB 4Å; L124-A180 HydrophobicContact CD1-CB 4.09Å; D173-A180 PolarHBondContact OD1-N 3.49Å; G177-A180 WeakPolarHBondContact O-CB 3.23Å; G177-A180 PolarHBondContact O-N 3.42Å; A180-A183 PolarHBondContact O-N 3.19Å; A180-L184 WeakPolarHBondContact O-CB 3.48Å; A180-L184 PolarHBondContact O-N 3.25Å
181	T	98.6	Very high	98.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-46.4	179.4	-52.2	0	0	0	0	111.4	L163 T169 Y172 D173 G179 A183 L184 V185	L163-T181 HydrophobicContact CD2-CG2 3.79Å; T169-T181 VanDerWaalsContact CA-OG1 3.31Å; T169-T181 WeakPolarHBondContact CA-OG1 3.42Å; T169-T181 PolarHBondContact O-OG1 3.34Å; Y172-T181 WeakPolarHBondContact CB-OG1 3.14Å; Y172-T181 HydrophobicContact CD2-CG2 4.43Å; D173-T181 WeakPolarHBondContact OD1-CB 3.39Å; D173-T181 PolarHBondContact OD1-N 2.97Å; D173-T181 PolarHBondContact OD1-OG1 2.81Å; G179-T181 VanDerWaalsContact C-N 3.28Å; G179-T181 PolarHBondContact O-N 3.33Å; T181-A183 VanDerWaalsContact C-N 3.34Å; T181-A183 PolarHBondContact O-N 3.43Å; T181-L184 PolarHBondContact O-N 2.88Å; T181-V185 HydrophobicContact CG2-CG2 4.5Å; T181-V185 VanDerWaalsContact O-CG2 3.3Å; T181-V185 WeakPolarHBondContact O-CG2 3.5Å; T181-V185 PolarHBondContact O-N 2.69Å
182	E	98.1	Very high	98	Very high	114 Å²	114	45.4 Å²	45.4	53%	0.533	26%	0.258	S	S	.	.	H	α-helix	trans	-60.7	-44.3	177.9	-68	-177.7	179.3	0	0	111.3	L163 G179 V185 Q186	L163-E182 HydrophobicContact CD2-CG 3.78Å; G179-E182 PolarHBondContact O-N 3.36Å; E182-V185 PolarHBondContact O-N 3.08Å; E182-Q186 VanDerWaalsContact O-CG 3.31Å; E182-Q186 WeakPolarHBondContact O-CG 3.28Å; E182-Q186 PolarHBondContact O-N 3.23Å
183	A	98.4	Very high	98	Very high	10 Å²	10	47.5 Å²	47.5	8%	0.083	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-46.8	175.3	0	0	0	0	0	111.8	L120 Y123 L124 G179 A180 T181 V185 Q186 I187	L120-A183 HydrophobicContact CD1-CB 4.24Å; Y123-A183 HydrophobicContact CD1-CB 4.07Å; Y123-A183 HydrophobicContact CE1-CB 4.13Å; L124-A183 HydrophobicContact CD2-CB 3.95Å; G179-A183 PolarHBondContact O-N 3.02Å; A180-A183 PolarHBondContact O-N 3.19Å; T181-A183 VanDerWaalsContact C-N 3.34Å; T181-A183 PolarHBondContact O-N 3.43Å; A183-V185 VanDerWaalsContact C-N 3.34Å; A183-V185 PolarHBondContact O-N 3.01Å; A183-Q186 PolarHBondContact O-N 3.24Å; A183-I187 WeakPolarHBondContact O-CB 3.1Å; A183-I187 WeakPolarHBondContact O-CG1 3.32Å; A183-I187 PolarHBondContact O-N 3.39Å
184	L	98.8	Very high	98	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.7	-44.3	177.2	178.4	61.4	0	0	0	111.5	L120 I135 H139 Y162 Y172 A180 T181 I187 I188	L120-L184 HydrophobicContact CD1-CB 4.18Å; L120-L184 HydrophobicContact CD2-CB 4.14Å; I135-L184 HydrophobicContact CG2-CD1 3.71Å; H139-L184 HydrophobicContact CB-CD1 4.23Å; Y162-L184 HydrophobicContact CE2-CD2 4.35Å; Y172-L184 HydrophobicContact CD1-CD2 3.74Å; Y172-L184 HydrophobicContact CD2-CD2 4.06Å; Y172-L184 HydrophobicContact CE1-CD2 3.44Å; Y172-L184 VanDerWaalsContact CE1-CD2 3.44Å; Y172-L184 HydrophobicContact CE2-CD2 3.79Å; Y172-L184 HydrophobicContact CG-CD2 4.04Å; Y172-L184 VanDerWaalsContact CZ-CD2 3.47Å; A180-L184 WeakPolarHBondContact O-CB 3.48Å; A180-L184 PolarHBondContact O-N 3.25Å; T181-L184 PolarHBondContact O-N 2.88Å; L184-I187 PolarHBondContact O-N 2.92Å; L184-I188 HydrophobicContact CD1-CD1 3.86Å; L184-I188 HydrophobicContact CD1-CG1 4.19Å; L184-I188 HydrophobicContact CD2-CD1 4.49Å; L184-I188 HydrophobicContact CG-CD1 3.77Å; L184-I188 WeakPolarHBondContact O-CD1 3.41Å; L184-I188 VanDerWaalsContact O-CG1 3.24Å; L184-I188 WeakPolarHBondContact O-CG1 3.43Å; L184-I188 PolarHBondContact O-N 3.18Å
185	V	98.7	Very high	98	Very high	13 Å²	13	42.8 Å²	42.8	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-46.6	177.6	172	0	0	0	0	110.9	A159 L163 T181 E182 A183 I187 I188 Q189	A159-V185 HydrophobicContact CB-CG1 4.31Å; A159-V185 HydrophobicContact CB-CG2 4.16Å; A159-V185 WeakPolarHBondContact O-CG2 3.5Å; L163-V185 HydrophobicContact CD1-CB 4.38Å; L163-V185 HydrophobicContact CD1-CG1 4.21Å; L163-V185 HydrophobicContact CD1-CG2 4.29Å; L163-V185 HydrophobicContact CG-CG2 4.13Å; T181-V185 HydrophobicContact CG2-CG2 4.5Å; T181-V185 VanDerWaalsContact O-CG2 3.3Å; T181-V185 WeakPolarHBondContact O-CG2 3.5Å; T181-V185 PolarHBondContact O-N 2.69Å; E182-V185 PolarHBondContact O-N 3.08Å; A183-V185 VanDerWaalsContact C-N 3.34Å; A183-V185 PolarHBondContact O-N 3.01Å; V185-I187 VanDerWaalsContact C-N 3.34Å; V185-I187 PolarHBondContact O-N 3.01Å; V185-I188 PolarHBondContact O-N 3.27Å; V185-Q189 HydrophobicContact CG1-CG 4.27Å; V185-Q189 WeakPolarHBondContact O-CB 3.41Å; V185-Q189 WeakPolarHBondContact O-CG 3.42Å; V185-Q189 PolarHBondContact O-N 3.43Å
186	Q	98.4	Very high	98	Very high	116 Å²	116	40.4 Å²	40.4	54%	0.542	25%	0.245	S	C	.	.	H	α-helix	trans	-61.9	-40.8	177.9	-70.2	174.7	19	0	0	112.6	E182 A183 Q189 T190	E182-Q186 VanDerWaalsContact O-CG 3.31Å; E182-Q186 WeakPolarHBondContact O-CG 3.28Å; E182-Q186 PolarHBondContact O-N 3.23Å; A183-Q186 PolarHBondContact O-N 3.24Å; Q186-Q189 PolarHBondContact O-N 3.17Å; Q186-T190 WeakPolarHBondContact O-CB 3.41Å; Q186-T190 PolarHBondContact O-N 3.44Å; Q186-T190 VanDerWaalsContact O-N 3.08Å; Q186-T190 PolarHBondContact O-OG1 3.48Å
187	I	98.8	Very high	98	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-60.1	-49.4	174.9	-72.3	168.4	0	0	0	110.1	Y123 A132 I135 A183 L184 V185 Q189 T190 Y191	Y123-I187 HydrophobicContact CD1-CD1 3.93Å; Y123-I187 HydrophobicContact CE1-CD1 3.8Å; Y123-I187 HydrophobicContact CE1-CG1 4.27Å; Y123-I187 HydrophobicContact CE2-CD1 4.43Å; Y123-I187 HydrophobicContact CG-CD1 4.28Å; A132-I187 HydrophobicContact CB-CD1 4.25Å; A132-I187 HydrophobicContact CB-CG1 3.97Å; A132-I187 WeakPolarHBondContact O-CG2 3.28Å; I135-I187 HydrophobicContact CB-CD1 4.13Å; I135-I187 HydrophobicContact CB-CG2 4.39Å; I135-I187 HydrophobicContact CD1-CD1 3.77Å; I135-I187 HydrophobicContact CG2-CD1 3.81Å; I135-I187 HydrophobicContact CG2-CG2 4.13Å; A183-I187 WeakPolarHBondContact O-CB 3.1Å; A183-I187 WeakPolarHBondContact O-CG1 3.32Å; A183-I187 PolarHBondContact O-N 3.39Å; L184-I187 PolarHBondContact O-N 2.92Å; V185-I187 VanDerWaalsContact C-N 3.34Å; V185-I187 PolarHBondContact O-N 3.01Å; I187-Q189 PolarHBondContact O-N 3.23Å; I187-T190 PolarHBondContact O-N 3.31Å; I187-Y191 HydrophobicContact CG2-CD2 4.1Å; I187-Y191 VanDerWaalsContact O-CD2 3.28Å; I187-Y191 WeakPolarHBondContact O-CD2 3.49Å; I187-Y191 PolarHBondContact O-N 3.39Å
188	I	98.7	Very high	98	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-43.9	179.9	-66.2	163.3	0	0	0	110.8	H139 H155 A159 L184 V185 T190 Y191 A192	H139-I188 WeakPolarHBondContact ND1-CD1 3.43Å; H155-I188 HydrophobicContact CB-CG2 4.35Å; H155-I188 VanDerWaalsContact CD2-CG2 3.5Å; H155-I188 WeakPolarHBondContact CD2-CG2 3.29Å; H155-I188 WeakPolarHBondContact NE2-CD1 3.43Å; A159-I188 HydrophobicContact CB-CB 4.01Å; A159-I188 HydrophobicContact CB-CD1 3.79Å; A159-I188 HydrophobicContact CB-CG2 3.79Å; L184-I188 HydrophobicContact CD1-CD1 3.86Å; L184-I188 HydrophobicContact CD1-CG1 4.19Å; L184-I188 HydrophobicContact CD2-CD1 4.49Å; L184-I188 HydrophobicContact CG-CD1 3.77Å; L184-I188 WeakPolarHBondContact O-CD1 3.41Å; L184-I188 VanDerWaalsContact O-CG1 3.24Å; L184-I188 WeakPolarHBondContact O-CG1 3.43Å; L184-I188 PolarHBondContact O-N 3.18Å; V185-I188 PolarHBondContact O-N 3.27Å; I188-T190 PolarHBondContact O-N 3.23Å; I188-Y191 PolarHBondContact O-N 3.38Å; I188-A192 HydrophobicContact CG2-CB 4.08Å; I188-A192 WeakPolarHBondContact O-CB 3.34Å; I188-A192 PolarHBondContact O-N 3.16Å
189	Q	98.4	Very high	98.1	Very high	63 Å²	63	39.6 Å²	39.6	29%	0.294	22%	0.216	S	C	.	.	H	α-helix	trans	-60.2	-32.3	178.4	-71.3	-66.2	-13.3	0	0	112.5	K156 E160 V185 Q186 I187	K156-Q189 VanDerWaalsContact CE-O 3.23Å; K156-Q189 WeakPolarHBondContact CE-O 3.47Å; K156-Q189 PolarHBondContact NZ-O 3.49Å; K156-Q189 PolarHBondContact O-NE2 3.07Å; E160-Q189 PolarHBondContact OE1-NE2 2.89Å; E160-Q189 VanDerWaalsContact OE1-NE2 3.08Å; V185-Q189 HydrophobicContact CG1-CG 4.27Å; V185-Q189 WeakPolarHBondContact O-CB 3.41Å; V185-Q189 WeakPolarHBondContact O-CG 3.42Å; V185-Q189 PolarHBondContact O-N 3.43Å; Q186-Q189 PolarHBondContact O-N 3.17Å; I187-Q189 PolarHBondContact O-N 3.23Å
190	T	98.3	Very high	98.1	Very high	97 Å²	97	40.8 Å²	40.8	60%	0.595	21%	0.214	S	C	*	.	H	α-helix	trans	-79.7	-39.7	-179.8	-57.8	0	0	0	0	113.3	Q186 I187 I188	Q186-T190 WeakPolarHBondContact O-CB 3.41Å; Q186-T190 PolarHBondContact O-N 3.44Å; Q186-T190 VanDerWaalsContact O-N 3.08Å; Q186-T190 PolarHBondContact O-OG1 3.48Å; I187-T190 PolarHBondContact O-N 3.31Å; I188-T190 PolarHBondContact O-N 3.23Å
191	Y	98.2	Very high	98.1	Very high	70 Å²	70	44.2 Å²	44.2	28%	0.275	23%	0.231	S	C	.	.	H	α-helix	trans	-110.8	-11	-168.4	-65.3	-70.3	0	0	0	115.9	A132 K133 Y136 I187 I188	A132-Y191 HydrophobicContact CB-CE2 3.63Å; K133-Y191 HydrophobicContact CD-CE1 4.15Å; K133-Y191 HydrophobicContact CG-CD1 3.87Å; K133-Y191 HydrophobicContact CG-CE1 3.46Å; K133-Y191 VanDerWaalsContact CG-CE1 3.46Å; K133-Y191 HydrophobicContact CG-CE2 4.29Å; K133-Y191 HydrophobicContact CG-CG 4.45Å; Y136-Y191 WeakPolarHBondContact CE1-O 3.31Å; Y136-Y191 PolarHBondContact OH-O 3.13Å; Y136-Y191 VanDerWaalsContact OH-O 3.08Å; I187-Y191 HydrophobicContact CG2-CD2 4.1Å; I187-Y191 VanDerWaalsContact O-CD2 3.28Å; I187-Y191 WeakPolarHBondContact O-CD2 3.49Å; I187-Y191 PolarHBondContact O-N 3.39Å; I188-Y191 PolarHBondContact O-N 3.38Å
192	A	94.4	Very high	98.1	Very high	43 Å²	43	48.2 Å²	48.2	36%	0.355	25%	0.252	S	S	.	.			trans	-76.1	0	171.8	0	0	0	0	0	112.4	Y136 G152 H155 K156 I188	Y136-A192 HydrophobicContact CE2-CB 3.78Å; Y136-A192 WeakPolarHBondContact OH-CA 3.49Å; G152-A192 WeakPolarHBondContact CA-O 3.3Å; H155-A192 HydrophobicContact CB-CB 4.2Å; K156-A192 HydrophobicContact CD-CB 4.41Å; K156-A192 WeakPolarHBondContact CE-OXT 3.5Å; K156-A192 HydrophobicContact CG-CB 3.84Å; K156-A192 PolarHBondContact NZ-OXT 3.35Å; I188-A192 HydrophobicContact CG2-CB 4.08Å; I188-A192 WeakPolarHBondContact O-CB 3.34Å; I188-A192 PolarHBondContact O-N 3.16Å

Retrieved 192 of 192 residues in 160.5 ms (Link to these results)

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