A0A077Z9T6_TRITR Loading...

DUF2238 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9T6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 184 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	79.8	Confident	92.4	Very high	103 Å²	103	68.4 Å²	68.4	51%	0.507	37%	0.369	S	S	.	.				0	-32.3	0	-77.7	-68.9	-75.8	0	0	111.7	V3 T4 I115 F130	M1-V3 PolarHBondContact O-N 3.29Å; M1-T4 VanDerWaalsContact O-CB 3.26Å; M1-T4 WeakPolarHBondContact O-CB 3.47Å; M1-T4 PolarHBondContact O-N 3.22Å; M1-T4 PolarHBondContact O-OG1 3.07Å; M1-T4 VanDerWaalsContact O-OG1 3.1Å; M1-I115 HydrophobicContact CE-CG2 4.04Å; M1-F130 HydrophobicContact CB-CE2 4.35Å; M1-F130 HydrophobicContact CB-CZ 4.04Å; M1-F130 HydrophobicContact CG-CE2 4.02Å; M1-F130 HydrophobicContact CG-CZ 3.76Å
2	E	83.8	Confident	92.8	Very high	40 Å²	40	71.2 Å²	71.2	19%	0.187	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-37.6	-178.6	-52.7	87	160.4	0	0	114.1	P5 Y45	E2-P5 VanDerWaalsContact O-CD 3.31Å; E2-P5 WeakPolarHBondContact O-CD 3.49Å; E2-Y45 HydrophobicContact CB-CE2 4.08Å; E2-Y45 HydrophobicContact CG-CD2 4.06Å; E2-Y45 HydrophobicContact CG-CE2 3.92Å
3	V	90.5	Very high	93.1	Very high	48 Å²	48	68.2 Å²	68.2	29%	0.291	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-12.7	-177.9	-170.3	0	0	0	0	112.6	M1 P5 V6 I7 M38	M1-V3 PolarHBondContact O-N 3.29Å; V3-P5 VanDerWaalsContact C-CD 3.49Å; V3-V6 HydrophobicContact CG1-CB 4.21Å; V3-V6 HydrophobicContact CG1-CG2 4.41Å; V3-V6 WeakPolarHBondContact O-CB 3.4Å; V3-V6 PolarHBondContact O-N 3.08Å; V3-I7 PolarHBondContact O-N 3.45Å; V3-M38 HydrophobicContact CG1-CG 4.06Å
4	T	92.1	Very high	93.3	Very high	64 Å²	64	73.4 Å²	73.4	39%	0.393	39%	0.393	S	S	.	.	H	α-helix	trans	-54.1	-43.8	-179	-56.4	0	0	0	0	113	M1 V6 I7 I8	M1-T4 VanDerWaalsContact O-CB 3.26Å; M1-T4 WeakPolarHBondContact O-CB 3.47Å; M1-T4 PolarHBondContact O-N 3.22Å; M1-T4 PolarHBondContact O-OG1 3.07Å; M1-T4 VanDerWaalsContact O-OG1 3.1Å; T4-V6 VanDerWaalsContact C-N 3.28Å; T4-V6 PolarHBondContact O-N 3.38Å; T4-I7 PolarHBondContact O-N 3.13Å; T4-I8 HydrophobicContact CG2-CD1 4.03Å; T4-I8 WeakPolarHBondContact O-CG1 3.44Å; T4-I8 PolarHBondContact O-N 3.18Å
5	P	93.2	Very high	93.6	Very high	41 Å²	41	73.3 Å²	73.3	27%	0.266	41%	0.407	S	S	.	.	H	α-helix	trans	-56.3	-38.2	174.4	-26.3	36.1	0	0	0	113.7	E2 V3 I7 I8 V9 L37 Y112	E2-P5 VanDerWaalsContact O-CD 3.31Å; E2-P5 WeakPolarHBondContact O-CD 3.49Å; V3-P5 VanDerWaalsContact C-CD 3.49Å; P5-I7 PolarHBondContact O-N 3.47Å; P5-I8 PolarHBondContact O-N 3.07Å; P5-V9 WeakPolarHBondContact O-CB 3.29Å; P5-V9 VanDerWaalsContact O-CG2 3.23Å; P5-V9 WeakPolarHBondContact O-CG2 3.4Å; P5-V9 PolarHBondContact O-N 3.08Å; P5-L37 HydrophobicContact CB-CD1 4.33Å; P5-Y112 HydrophobicContact CG-CE2 4.14Å
6	V	95.6	Very high	93.7	Very high	17 Å²	17	72.1 Å²	72.1	10%	0.103	40%	0.402	C	S	.	.	H	α-helix	trans	-62.2	-45.2	179	-178.2	0	0	0	0	110.7	V3 T4 I8 V9 V10 A34 L37	V3-V6 HydrophobicContact CG1-CB 4.21Å; V3-V6 HydrophobicContact CG1-CG2 4.41Å; V3-V6 WeakPolarHBondContact O-CB 3.4Å; V3-V6 PolarHBondContact O-N 3.08Å; T4-V6 VanDerWaalsContact C-N 3.28Å; T4-V6 PolarHBondContact O-N 3.38Å; V6-I8 VanDerWaalsContact C-N 3.31Å; V6-I8 PolarHBondContact O-N 3.31Å; V6-V9 PolarHBondContact O-N 3.46Å; V6-V10 HydrophobicContact CG1-CG2 4.23Å; V6-V10 WeakPolarHBondContact O-CB 3.26Å; V6-V10 VanDerWaalsContact O-CG2 3.28Å; V6-V10 WeakPolarHBondContact O-CG2 3.11Å; V6-V10 PolarHBondContact O-N 3.42Å; V6-A34 HydrophobicContact CG1-CB 3.82Å; V6-A34 HydrophobicContact CG2-CB 3.92Å; V6-L37 HydrophobicContact CG2-CB 3.85Å; V6-L37 HydrophobicContact CG2-CD1 3.62Å; V6-L37 HydrophobicContact CG2-CG 4.39Å
7	I	95.8	Very high	93.7	Very high	100 Å²	100	70.2 Å²	70.2	51%	0.513	40%	0.398	S	S	.	.	H	α-helix	trans	-61.6	-41.7	179.8	-63.8	171.3	0	0	0	111	V3 T4 P5 Q11	V3-I7 PolarHBondContact O-N 3.45Å; T4-I7 PolarHBondContact O-N 3.13Å; P5-I7 PolarHBondContact O-N 3.47Å; I7-Q11 WeakPolarHBondContact O-CG 3.26Å; I7-Q11 PolarHBondContact O-N 3.49Å; I7-Q11 PolarHBondContact O-NE2 2.72Å
8	I	96.3	Very high	93.5	Very high	90 Å²	90	80.2 Å²	80.2	46%	0.462	43%	0.428	S	S	.	.	H	α-helix	trans	-67	-49.3	177.8	-64.7	168.6	0	0	0	110.2	T4 P5 V6 V10 Q11 L12	T4-I8 HydrophobicContact CG2-CD1 4.03Å; T4-I8 WeakPolarHBondContact O-CG1 3.44Å; T4-I8 PolarHBondContact O-N 3.18Å; P5-I8 PolarHBondContact O-N 3.07Å; V6-I8 VanDerWaalsContact C-N 3.31Å; V6-I8 PolarHBondContact O-N 3.31Å; I8-V10 PolarHBondContact O-N 2.97Å; I8-Q11 PolarHBondContact O-N 3.38Å; I8-L12 HydrophobicContact CG2-CD1 3.93Å; I8-L12 HydrophobicContact CG2-CG 4.43Å; I8-L12 WeakPolarHBondContact O-CG 3.34Å; I8-L12 PolarHBondContact O-N 3.36Å
9	V	96.3	Very high	93.4	Very high	54 Å²	54	87.9 Å²	87.9	33%	0.327	45%	0.451	S	S	.	.	H	α-helix	trans	-63	-43	-177.2	170	0	0	0	0	111.3	P5 V6 Q11 L12 L13 I30	P5-V9 WeakPolarHBondContact O-CB 3.29Å; P5-V9 VanDerWaalsContact O-CG2 3.23Å; P5-V9 WeakPolarHBondContact O-CG2 3.4Å; P5-V9 PolarHBondContact O-N 3.08Å; V6-V9 PolarHBondContact O-N 3.46Å; V9-Q11 VanDerWaalsContact C-N 3.34Å; V9-Q11 PolarHBondContact O-N 3Å; V9-L12 PolarHBondContact O-N 3.37Å; V9-L13 HydrophobicContact CG1-CD1 4.02Å; V9-L13 HydrophobicContact CG1-CG 4.11Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.4Å; V9-L13 PolarHBondContact O-N 3.38Å; V9-I30 HydrophobicContact CG1-CG2 3.71Å
10	V	96.3	Very high	93.4	Very high	73 Å²	73	87 Å²	87	44%	0.442	44%	0.442	S	S	.	.	H	α-helix	trans	-59.2	-45.2	177.6	168.9	0	0	0	0	111.2	V6 I8 L12 L13 L14	V6-V10 HydrophobicContact CG1-CG2 4.23Å; V6-V10 WeakPolarHBondContact O-CB 3.26Å; V6-V10 VanDerWaalsContact O-CG2 3.28Å; V6-V10 WeakPolarHBondContact O-CG2 3.11Å; V6-V10 PolarHBondContact O-N 3.42Å; I8-V10 PolarHBondContact O-N 2.97Å; V10-L12 PolarHBondContact O-N 3.01Å; V10-L13 PolarHBondContact O-N 3.37Å; V10-L14 HydrophobicContact CG1-CD1 4.08Å; V10-L14 HydrophobicContact CG1-CG 4.49Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.5Å; V10-L14 PolarHBondContact O-N 2.92Å
11	Q	97	Very high	93.5	Very high	122 Å²	122	84.6 Å²	84.6	57%	0.57	43%	0.432	S	S	*	.	H	α-helix	trans	-63.1	-42.3	177.4	-72.4	174	83.9	0	0	112	I7 I8 V9 L14 A15	I7-Q11 WeakPolarHBondContact O-CG 3.26Å; I7-Q11 PolarHBondContact O-N 3.49Å; I7-Q11 PolarHBondContact O-NE2 2.72Å; I8-Q11 PolarHBondContact O-N 3.38Å; V9-Q11 VanDerWaalsContact C-N 3.34Å; V9-Q11 PolarHBondContact O-N 3Å; Q11-L14 PolarHBondContact O-N 3.41Å; Q11-A15 WeakPolarHBondContact O-CB 3.38Å; Q11-A15 PolarHBondContact O-N 3.5Å
12	L	96.7	Very high	94.2	Very high	102 Å²	102	80.5 Å²	80.5	53%	0.534	41%	0.412	S	S	.	.	H	α-helix	trans	-61.1	-48.1	175.5	-71.4	173	0	0	0	111.2	I8 V9 V10 L14 A15 T16	I8-L12 HydrophobicContact CG2-CD1 3.93Å; I8-L12 HydrophobicContact CG2-CG 4.43Å; I8-L12 WeakPolarHBondContact O-CG 3.34Å; I8-L12 PolarHBondContact O-N 3.36Å; V9-L12 PolarHBondContact O-N 3.37Å; V10-L12 PolarHBondContact O-N 3.01Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.18Å; L12-A15 PolarHBondContact O-N 2.96Å; L12-A15 VanDerWaalsContact O-N 3.16Å; L12-T16 WeakPolarHBondContact O-CG2 3.26Å; L12-T16 PolarHBondContact O-N 2.94Å; L12-T16 PolarHBondContact O-OG1 3.49Å
13	L	96.9	Very high	94.8	Very high	33 Å²	33	78.6 Å²	78.6	17%	0.173	40%	0.403	C	S	.	.	H	α-helix	trans	-60.4	-42.5	178.9	-69.5	-177.2	0	0	0	112	V9 V10 A15 T16 A17 L22 Y27 I30	V9-L13 HydrophobicContact CG1-CD1 4.02Å; V9-L13 HydrophobicContact CG1-CG 4.11Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.4Å; V9-L13 PolarHBondContact O-N 3.38Å; V10-L13 PolarHBondContact O-N 3.37Å; L13-A15 VanDerWaalsContact C-N 3.33Å; L13-A15 PolarHBondContact O-N 3.3Å; L13-T16 PolarHBondContact O-N 2.97Å; L13-A17 WeakPolarHBondContact O-CA 3.19Å; L13-A17 WeakPolarHBondContact O-CB 3.36Å; L13-A17 PolarHBondContact O-N 2.88Å; L13-L22 HydrophobicContact CD2-CD1 3.54Å; L13-Y27 HydrophobicContact CD1-CD1 4.27Å; L13-Y27 HydrophobicContact CD1-CE1 4.16Å; L13-Y27 HydrophobicContact CD2-CE1 3.91Å; L13-Y27 HydrophobicContact CG-CE1 4.46Å; L13-I30 HydrophobicContact CD1-CD1 4.35Å; L13-I30 HydrophobicContact CD1-CG2 4.02Å; L13-I30 HydrophobicContact CD2-CD1 4.27Å
14	L	96.5	Very high	95.1	Very high	140 Å²	140	80 Å²	80	73%	0.733	41%	0.414	S	S	*	.	H	α-helix	trans	-63.2	-40	176.2	-70.3	173.6	0	0	0	112	V10 Q11 L12	V10-L14 HydrophobicContact CG1-CD1 4.08Å; V10-L14 HydrophobicContact CG1-CG 4.49Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.5Å; V10-L14 PolarHBondContact O-N 2.92Å; Q11-L14 PolarHBondContact O-N 3.41Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.18Å
15	A	97	Very high	95.3	Very high	73 Å²	73	79 Å²	79	60%	0.603	41%	0.406	S	S	*	.	H	α-helix	trans	-71.2	-30.9	179.3	0	0	0	0	0	113.1	Q11 L12 L13	Q11-A15 WeakPolarHBondContact O-CB 3.38Å; Q11-A15 PolarHBondContact O-N 3.5Å; L12-A15 PolarHBondContact O-N 2.96Å; L12-A15 VanDerWaalsContact O-N 3.16Å; L13-A15 VanDerWaalsContact C-N 3.33Å; L13-A15 PolarHBondContact O-N 3.3Å
16	T	95.7	Very high	95.4	Very high	54 Å²	54	77.1 Å²	77.1	33%	0.331	39%	0.393	S	S	.	.	H	α-helix	trans	-103.4	-17.3	-174.1	63.7	0	0	0	0	114.7	L12 L13 R18 R19 Y20	L12-T16 WeakPolarHBondContact O-CG2 3.26Å; L12-T16 PolarHBondContact O-N 2.94Å; L12-T16 PolarHBondContact O-OG1 3.49Å; L13-T16 PolarHBondContact O-N 2.97Å; T16-R18 PolarHBondContact O-N 2.95Å; T16-R19 PolarHBondContact O-N 2.69Å; T16-Y20 PolarHBondContact O-N 2.84Å
17	A	93.6	Very high	95.5	Very high	40 Å²	40	79.8 Å²	79.8	33%	0.331	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-36.9	-170	0	0	0	0	0	114.8	L13 P21	L13-A17 WeakPolarHBondContact O-CA 3.19Å; L13-A17 WeakPolarHBondContact O-CB 3.36Å; L13-A17 PolarHBondContact O-N 2.88Å; A17-P21 WeakPolarHBondContact O-CA 3.36Å
18	R	91	Very high	95.6	Very high	250 Å²	250	78.8 Å²	78.8	94%	0.943	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-32.9	179.1	-66.3	-171.1	-178	173.5	1.4	114	T16	T16-R18 PolarHBondContact O-N 2.95Å
19	R	91.3	Very high	95.6	Very high	226 Å²	226	75.4 Å²	75.4	85%	0.853	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-30.8	-174.6	-65.3	-176.8	-176.8	169.2	1.7	112.1	T16	T16-R19 PolarHBondContact O-N 2.69Å
20	Y	93.4	Very high	95.7	Very high	69 Å²	69	73.9 Å²	73.9	27%	0.271	37%	0.373	S	S	.	.	S	Bend	trans	-146.1	74.7	-176.7	-162.9	-89.3	0	0	0	108.6	T16 L22 R87	T16-Y20 PolarHBondContact O-N 2.84Å; Y20-L22 HydrophobicContact CD1-CD2 3.79Å; Y20-L22 HydrophobicContact CE1-CD2 3.75Å; Y20-L22 PolarHBondContact O-N 3.48Å; Y20-R87 WeakPolarHBondContact OH-CB 3.45Å
21	P	94.3	Very high	95.8	Very high	37 Å²	37	76.6 Å²	76.6	24%	0.24	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-64.2	128.6	177.6	26.6	-33.7	0	0	0	109.2	A17 R87 I169 V173	A17-P21 WeakPolarHBondContact O-CA 3.36Å; P21-R87 PolarHBondContact O-NH1 3.1Å; P21-I169 HydrophobicContact CG-CG2 4.1Å; P21-V173 HydrophobicContact CG-CG2 4.24Å
22	L	96	Very high	95.8	Very high	17 Å²	17	74.2 Å²	74.2	9%	0.089	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-82	163.3	177.7	-61.7	176.3	0	0	0	111.6	L13 Y20 L26 Y27 I30 E83 I169	L13-L22 HydrophobicContact CD2-CD1 3.54Å; Y20-L22 HydrophobicContact CD1-CD2 3.79Å; Y20-L22 HydrophobicContact CE1-CD2 3.75Å; Y20-L22 PolarHBondContact O-N 3.48Å; L22-L26 HydrophobicContact CB-CD2 4.11Å; L22-L26 HydrophobicContact CB-CG 4.42Å; L22-L26 HydrophobicContact CD1-CD2 3.85Å; L22-L26 HydrophobicContact CD1-CG 4.19Å; L22-L26 HydrophobicContact CD2-CD2 3.98Å; L22-L26 HydrophobicContact CG-CD2 4.2Å; L22-Y27 HydrophobicContact CB-CD2 4.08Å; L22-Y27 HydrophobicContact CB-CE1 4.35Å; L22-Y27 HydrophobicContact CB-CE2 3.66Å; L22-Y27 HydrophobicContact CD1-CE1 4.42Å; L22-Y27 PolarHBondContact N-OH 3.24Å; L22-Y27 WeakPolarHBondContact O-CD2 3.31Å; L22-Y27 WeakPolarHBondContact O-CE2 3.41Å; L22-I30 HydrophobicContact CD1-CD1 4.08Å; L22-E83 VanDerWaalsContact CA-OE1 3.31Å; L22-E83 WeakPolarHBondContact CA-OE1 3.2Å; L22-I169 VanDerWaalsContact O-CD1 3.32Å; L22-I169 WeakPolarHBondContact O-CD1 3.09Å
23	T	96.4	Very high	95.9	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-58.2	142.9	172.9	55.5	0	0	0	0	112.4	L25 L26 Y27 E83 Q162 T165 I166 I169	T23-L25 PolarHBondContact O-N 3.34Å; T23-L26 PolarHBondContact O-N 3.04Å; T23-L26 WeakPolarHBondContact OG1-CB 3.31Å; T23-L26 PolarHBondContact OG1-N 3.36Å; T23-Y27 WeakPolarHBondContact O-CD2 3.47Å; T23-Y27 PolarHBondContact O-N 2.93Å; T23-E83 WeakPolarHBondContact CB-OE2 3.41Å; T23-E83 VanDerWaalsContact CG2-OE2 3.29Å; T23-E83 WeakPolarHBondContact CG2-OE2 3.48Å; T23-E83 PolarHBondContact N-OE1 2.84Å; T23-E83 PolarHBondContact N-OE2 3.38Å; T23-E83 PolarHBondContact OG1-OE2 3.48Å; T23-Q162 HydrophobicContact CG2-CG 4.27Å; T23-T165 VanDerWaalsContact CG2-OG1 3.3Å; T23-T165 WeakPolarHBondContact CG2-OG1 3.23Å; T23-I166 HydrophobicContact CG2-CB 4.46Å; T23-I166 HydrophobicContact CG2-CG1 3.61Å; T23-I169 VanDerWaalsContact CA-CD1 3.48Å; T23-I169 HydrophobicContact CG2-CD1 4.02Å
24	P	95.4	Very high	95.9	Very high	79 Å²	79	69.6 Å²	69.6	51%	0.513	35%	0.348	S	S	.	.	H	α-helix	trans	-54.7	-38.7	174	-27.2	35.3	0	0	0	112.4	L26 Y27 T28	P24-L26 VanDerWaalsContact C-N 3.33Å; P24-L26 PolarHBondContact O-N 3.16Å; P24-Y27 PolarHBondContact O-N 3.48Å; P24-T28 PolarHBondContact O-N 2.9Å; P24-T28 PolarHBondContact O-OG1 3.28Å; P24-T28 VanDerWaalsContact O-OG1 3.09Å
25	L	95.8	Very high	96	Very high	43 Å²	43	66 Å²	66	23%	0.225	33%	0.328	C	S	.	.	H	α-helix	trans	-55	-48.4	173.5	176	62.9	0	0	0	111.5	T23 T28 L29 L79 A161 Q162	T23-L25 PolarHBondContact O-N 3.34Å; L25-T28 PolarHBondContact O-N 2.9Å; L25-L29 HydrophobicContact CD1-CD1 3.96Å; L25-L29 HydrophobicContact CD1-CG 4.39Å; L25-L29 HydrophobicContact CG-CD1 4.18Å; L25-L29 WeakPolarHBondContact O-CG 3.31Å; L25-L29 PolarHBondContact O-N 3.46Å; L25-L79 HydrophobicContact CD2-CD2 4.35Å; L25-L79 HydrophobicContact CG-CD2 4.16Å; L25-A161 HydrophobicContact CD2-CB 4.09Å; L25-Q162 HydrophobicContact CD2-CB 4.18Å
26	L	97	Very high	95.9	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67	-41.1	179.6	178.6	53.2	0	0	0	111.7	L22 T23 P24 T28 L29 I30 V76 L79 V80 E83	L22-L26 HydrophobicContact CB-CD2 4.11Å; L22-L26 HydrophobicContact CB-CG 4.42Å; L22-L26 HydrophobicContact CD1-CD2 3.85Å; L22-L26 HydrophobicContact CD1-CG 4.19Å; L22-L26 HydrophobicContact CD2-CD2 3.98Å; L22-L26 HydrophobicContact CG-CD2 4.2Å; T23-L26 PolarHBondContact O-N 3.04Å; T23-L26 WeakPolarHBondContact OG1-CB 3.31Å; T23-L26 PolarHBondContact OG1-N 3.36Å; P24-L26 VanDerWaalsContact C-N 3.33Å; P24-L26 PolarHBondContact O-N 3.16Å; L26-T28 PolarHBondContact O-N 3.35Å; L26-L29 PolarHBondContact O-N 3.1Å; L26-I30 HydrophobicContact CD1-CD1 3.85Å; L26-I30 HydrophobicContact CD1-CG1 3.92Å; L26-I30 HydrophobicContact CG-CD1 3.84Å; L26-I30 HydrophobicContact CG-CG1 4.4Å; L26-I30 WeakPolarHBondContact O-CB 3.49Å; L26-I30 VanDerWaalsContact O-CG1 3.25Å; L26-I30 WeakPolarHBondContact O-CG1 3.45Å; L26-I30 PolarHBondContact O-N 3.26Å; L26-V76 HydrophobicContact CD1-CG1 4.26Å; L26-L79 HydrophobicContact CB-CD2 4.12Å; L26-L79 HydrophobicContact CD1-CB 4.15Å; L26-L79 HydrophobicContact CD1-CD2 3.9Å; L26-L79 HydrophobicContact CD1-CG 4.13Å; L26-V80 HydrophobicContact CD1-CG2 3.6Å; L26-V80 HydrophobicContact CD2-CB 4.43Å; L26-V80 HydrophobicContact CD2-CG2 3.97Å; L26-V80 HydrophobicContact CG-CG2 4.32Å; L26-E83 HydrophobicContact CD2-CB 4.35Å; L26-E83 WeakPolarHBondContact CD2-OE2 3.44Å
27	Y	97.2	Very high	95.9	Very high	73 Å²	73	61.3 Å²	61.3	29%	0.286	29%	0.291	S	S	.	.	H	α-helix	trans	-59	-45	173.2	-79.6	-61.7	0	0	0	112.5	L13 L22 T23 P24 L29 I30 F31	L13-Y27 HydrophobicContact CD1-CD1 4.27Å; L13-Y27 HydrophobicContact CD1-CE1 4.16Å; L13-Y27 HydrophobicContact CD2-CE1 3.91Å; L13-Y27 HydrophobicContact CG-CE1 4.46Å; L22-Y27 HydrophobicContact CB-CD2 4.08Å; L22-Y27 HydrophobicContact CB-CE1 4.35Å; L22-Y27 HydrophobicContact CB-CE2 3.66Å; L22-Y27 HydrophobicContact CD1-CE1 4.42Å; L22-Y27 PolarHBondContact N-OH 3.24Å; L22-Y27 WeakPolarHBondContact O-CD2 3.31Å; L22-Y27 WeakPolarHBondContact O-CE2 3.41Å; T23-Y27 WeakPolarHBondContact O-CD2 3.47Å; T23-Y27 PolarHBondContact O-N 2.93Å; P24-Y27 PolarHBondContact O-N 3.48Å; Y27-L29 PolarHBondContact O-N 3.38Å; Y27-I30 PolarHBondContact O-N 3.15Å; Y27-F31 WeakPolarHBondContact O-CB 3.24Å; Y27-F31 PolarHBondContact O-N 2.84Å
28	T	97.1	Very high	96.1	Very high	80 Å²	80	63.4 Å²	63.4	49%	0.491	30%	0.295	S	S	.	.	H	α-helix	trans	-60.3	-45.7	176.9	-61.2	0	0	0	0	111.3	P24 L25 L26 F31 L32	P24-T28 PolarHBondContact O-N 2.9Å; P24-T28 PolarHBondContact O-OG1 3.28Å; P24-T28 VanDerWaalsContact O-OG1 3.09Å; L25-T28 PolarHBondContact O-N 2.9Å; L26-T28 PolarHBondContact O-N 3.35Å; T28-F31 WeakPolarHBondContact O-CB 3.37Å; T28-F31 PolarHBondContact O-N 3.22Å; T28-L32 HydrophobicContact CG2-CD1 4.22Å; T28-L32 WeakPolarHBondContact O-CG 3.5Å; T28-L32 PolarHBondContact O-N 3.43Å
29	L	97.6	Very high	96.3	Very high	19 Å²	19	53.6 Å²	53.6	10%	0.099	26%	0.263	C	S	.	.	H	α-helix	trans	-70.9	-35.6	-178.8	-71.2	172.3	0	0	0	112.8	L25 L26 Y27 F31 L32 H33 F72 L75 V76 L79 L158	L25-L29 HydrophobicContact CD1-CD1 3.96Å; L25-L29 HydrophobicContact CD1-CG 4.39Å; L25-L29 HydrophobicContact CG-CD1 4.18Å; L25-L29 WeakPolarHBondContact O-CG 3.31Å; L25-L29 PolarHBondContact O-N 3.46Å; L26-L29 PolarHBondContact O-N 3.1Å; Y27-L29 PolarHBondContact O-N 3.38Å; L29-F31 VanDerWaalsContact C-N 3.31Å; L29-F31 PolarHBondContact O-N 2.92Å; L29-L32 HydrophobicContact CD2-CD1 4.35Å; L29-L32 PolarHBondContact O-N 2.79Å; L29-H33 WeakPolarHBondContact O-CB 3.03Å; L29-H33 PolarHBondContact O-N 2.9Å; L29-F72 HydrophobicContact CD2-CE1 4.35Å; L29-L75 HydrophobicContact CD2-CD2 4.12Å; L29-V76 HydrophobicContact CB-CG2 4.01Å; L29-L79 HydrophobicContact CD1-CD2 3.44Å; L29-L79 VanDerWaalsContact CD1-CD2 3.44Å; L29-L158 HydrophobicContact CD1-CD1 3.67Å
30	I	97.8	Very high	96.4	Very high	21 Å²	21	42.8 Å²	42.8	11%	0.108	22%	0.222	C	C	.	.	H	α-helix	trans	-60.4	-43.8	170.3	-69.7	165.7	0	0	0	110.3	V9 L13 L22 L26 Y27 H33 A34 V76	V9-I30 HydrophobicContact CG1-CG2 3.71Å; L13-I30 HydrophobicContact CD1-CD1 4.35Å; L13-I30 HydrophobicContact CD1-CG2 4.02Å; L13-I30 HydrophobicContact CD2-CD1 4.27Å; L22-I30 HydrophobicContact CD1-CD1 4.08Å; L26-I30 HydrophobicContact CD1-CD1 3.85Å; L26-I30 HydrophobicContact CD1-CG1 3.92Å; L26-I30 HydrophobicContact CG-CD1 3.84Å; L26-I30 HydrophobicContact CG-CG1 4.4Å; L26-I30 WeakPolarHBondContact O-CB 3.49Å; L26-I30 VanDerWaalsContact O-CG1 3.25Å; L26-I30 WeakPolarHBondContact O-CG1 3.45Å; L26-I30 PolarHBondContact O-N 3.26Å; Y27-I30 PolarHBondContact O-N 3.15Å; I30-H33 PolarHBondContact O-N 3.3Å; I30-A34 WeakPolarHBondContact O-CB 3.34Å; I30-A34 PolarHBondContact O-N 3.19Å; I30-V76 HydrophobicContact CG1-CG1 3.6Å
31	F	97.9	Very high	96.3	Very high	131 Å²	131	40.8 Å²	40.8	58%	0.575	22%	0.222	S	C	*	.	H	α-helix	trans	-62.6	-46.5	178	174.8	-105.4	0	0	0	112.2	Y27 T28 L29 H33 A34 I35	Y27-F31 WeakPolarHBondContact O-CB 3.24Å; Y27-F31 PolarHBondContact O-N 2.84Å; T28-F31 WeakPolarHBondContact O-CB 3.37Å; T28-F31 PolarHBondContact O-N 3.22Å; L29-F31 VanDerWaalsContact C-N 3.31Å; L29-F31 PolarHBondContact O-N 2.92Å; F31-H33 VanDerWaalsContact C-N 3.34Å; F31-H33 PolarHBondContact O-N 2.62Å; F31-A34 WeakPolarHBondContact O-CB 3.29Å; F31-A34 PolarHBondContact O-N 3.37Å; F31-I35 HydrophobicContact CD1-CD1 4.01Å; F31-I35 HydrophobicContact CE1-CD1 3.44Å; F31-I35 VanDerWaalsContact CE1-CD1 3.44Å; F31-I35 HydrophobicContact CE1-CG1 4.45Å; F31-I35 HydrophobicContact CE2-CD1 4.27Å; F31-I35 HydrophobicContact CZ-CD1 3.6Å; F31-I35 HydrophobicContact CZ-CG1 4.32Å; F31-I35 PolarHBondContact O-N 3.22Å
32	L	98	Very high	96.2	Very high	72 Å²	72	45.8 Å²	45.8	38%	0.377	24%	0.242	S	C	.	.	H	α-helix	trans	-62.1	-42.1	176.4	-68.3	176.7	0	0	0	111.8	T28 L29 A34 I35 I36 F72	T28-L32 HydrophobicContact CG2-CD1 4.22Å; T28-L32 WeakPolarHBondContact O-CG 3.5Å; T28-L32 PolarHBondContact O-N 3.43Å; L29-L32 HydrophobicContact CD2-CD1 4.35Å; L29-L32 PolarHBondContact O-N 2.79Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A34 PolarHBondContact O-N 3.18Å; L32-I35 WeakPolarHBondContact O-CB 3.45Å; L32-I35 PolarHBondContact O-N 3.12Å; L32-I36 WeakPolarHBondContact O-CG1 3.41Å; L32-I36 PolarHBondContact O-N 3.41Å; L32-F72 HydrophobicContact CB-CE1 4.01Å
33	H	97.8	Very high	95.9	Very high	22 Å²	22	49.9 Å²	49.9	10%	0.102	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-41.3	175.3	-167.8	-174.3	0	0	0	111.8	L29 I30 F31 I35 I36 L37 F72 V76	L29-H33 WeakPolarHBondContact O-CB 3.03Å; L29-H33 PolarHBondContact O-N 2.9Å; I30-H33 PolarHBondContact O-N 3.3Å; F31-H33 VanDerWaalsContact C-N 3.34Å; F31-H33 PolarHBondContact O-N 2.62Å; H33-I35 VanDerWaalsContact C-N 3.31Å; H33-I35 PolarHBondContact O-N 2.8Å; H33-I36 WeakPolarHBondContact O-CB 3.3Å; H33-I36 PolarHBondContact O-N 3.48Å; H33-I36 VanDerWaalsContact O-N 3.14Å; H33-L37 WeakPolarHBondContact O-CG 3.31Å; H33-L37 PolarHBondContact O-N 3.29Å; H33-F72 HydrophobicContact CB-CB 4.32Å; H33-F72 HydrophobicContact CB-CD1 3.91Å; H33-V76 HydrophobicContact CB-CG2 3.93Å
34	A	97.4	Very high	95.5	Very high	16 Å²	16	52.6 Å²	52.6	13%	0.132	27%	0.273	C	S	.	.	H	α-helix	trans	-61.3	-39.4	175.5	0	0	0	0	0	112.1	V6 I30 F31 L32 L37 M38	V6-A34 HydrophobicContact CG1-CB 3.82Å; V6-A34 HydrophobicContact CG2-CB 3.92Å; I30-A34 WeakPolarHBondContact O-CB 3.34Å; I30-A34 PolarHBondContact O-N 3.19Å; F31-A34 WeakPolarHBondContact O-CB 3.29Å; F31-A34 PolarHBondContact O-N 3.37Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A34 PolarHBondContact O-N 3.18Å; A34-L37 PolarHBondContact O-N 2.86Å; A34-M38 HydrophobicContact CB-CE 4.44Å; A34-M38 WeakPolarHBondContact O-CB 3.19Å; A34-M38 WeakPolarHBondContact O-CE 3.43Å; A34-M38 VanDerWaalsContact O-CG 3.26Å; A34-M38 WeakPolarHBondContact O-CG 3.38Å; A34-M38 PolarHBondContact O-N 2.93Å
35	I	97.3	Very high	95.2	Very high	63 Å²	63	49.8 Å²	49.8	32%	0.323	25%	0.253	S	S	.	.	H	α-helix	trans	-60.1	-47.2	172.7	-68.9	170	0	0	0	110.5	F31 L32 H33 L37 M38 V39	F31-I35 HydrophobicContact CD1-CD1 4.01Å; F31-I35 HydrophobicContact CE1-CD1 3.44Å; F31-I35 VanDerWaalsContact CE1-CD1 3.44Å; F31-I35 HydrophobicContact CE1-CG1 4.45Å; F31-I35 HydrophobicContact CE2-CD1 4.27Å; F31-I35 HydrophobicContact CZ-CD1 3.6Å; F31-I35 HydrophobicContact CZ-CG1 4.32Å; F31-I35 PolarHBondContact O-N 3.22Å; L32-I35 WeakPolarHBondContact O-CB 3.45Å; L32-I35 PolarHBondContact O-N 3.12Å; H33-I35 VanDerWaalsContact C-N 3.31Å; H33-I35 PolarHBondContact O-N 2.8Å; I35-L37 VanDerWaalsContact C-N 3.32Å; I35-L37 PolarHBondContact O-N 3.22Å; I35-M38 HydrophobicContact CG1-CE 4.29Å; I35-M38 PolarHBondContact O-N 3.38Å; I35-V39 HydrophobicContact CG2-CG2 4.15Å; I35-V39 WeakPolarHBondContact O-CB 3.42Å; I35-V39 WeakPolarHBondContact O-CG2 3.31Å; I35-V39 PolarHBondContact O-N 2.97Å
36	I	96.6	Very high	94.8	Very high	16 Å²	16	48.7 Å²	48.7	8%	0.082	25%	0.25	C	S	.	.	H	α-helix	trans	-56.6	-48	179.9	-70.1	162	0	0	0	110.8	L32 H33 V39 G40 Y65 L68 F72	L32-I36 WeakPolarHBondContact O-CG1 3.41Å; L32-I36 PolarHBondContact O-N 3.41Å; H33-I36 WeakPolarHBondContact O-CB 3.3Å; H33-I36 PolarHBondContact O-N 3.48Å; H33-I36 VanDerWaalsContact O-N 3.14Å; I36-V39 PolarHBondContact O-N 3Å; I36-G40 PolarHBondContact O-N 3.33Å; I36-Y65 WeakPolarHBondContact CA-OH 3.36Å; I36-Y65 HydrophobicContact CG2-CE1 4.31Å; I36-Y65 PolarHBondContact O-OH 3.29Å; I36-L68 HydrophobicContact CD1-CD2 4.3Å; I36-L68 HydrophobicContact CD1-CG 4.16Å; I36-L68 HydrophobicContact CG1-CD2 4.34Å; I36-F72 HydrophobicContact CD1-CB 4.24Å; I36-F72 HydrophobicContact CD1-CD1 3.82Å; I36-F72 HydrophobicContact CD1-CD2 3.36Å; I36-F72 HydrophobicContact CD1-CE1 3.93Å; I36-F72 HydrophobicContact CD1-CE2 3.5Å; I36-F72 HydrophobicContact CD1-CG 3.53Å; I36-F72 HydrophobicContact CD1-CZ 3.78Å
37	L	95.7	Very high	94.5	Very high	13 Å²	13	55.1 Å²	55.1	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-63.2	-42.5	178	-67.1	170	0	0	0	112.3	P5 V6 H33 A34 I35 G41 Y45	P5-L37 HydrophobicContact CB-CD1 4.33Å; V6-L37 HydrophobicContact CG2-CB 3.85Å; V6-L37 HydrophobicContact CG2-CD1 3.62Å; V6-L37 HydrophobicContact CG2-CG 4.39Å; H33-L37 WeakPolarHBondContact O-CG 3.31Å; H33-L37 PolarHBondContact O-N 3.29Å; A34-L37 PolarHBondContact O-N 2.86Å; I35-L37 VanDerWaalsContact C-N 3.32Å; I35-L37 PolarHBondContact O-N 3.22Å; L37-G41 PolarHBondContact O-N 3.46Å; L37-Y45 WeakPolarHBondContact CD2-OH 3.31Å
38	M	96.1	Very high	94.4	Very high	85 Å²	85	51.8 Å²	51.8	42%	0.419	27%	0.265	S	S	.	.	H	α-helix	trans	-67.1	-42.2	179.1	-74.3	-175.1	-65.1	0	0	112.2	V3 A34 I35 Q42	V3-M38 HydrophobicContact CG1-CG 4.06Å; A34-M38 HydrophobicContact CB-CE 4.44Å; A34-M38 WeakPolarHBondContact O-CB 3.19Å; A34-M38 WeakPolarHBondContact O-CE 3.43Å; A34-M38 VanDerWaalsContact O-CG 3.26Å; A34-M38 WeakPolarHBondContact O-CG 3.38Å; A34-M38 PolarHBondContact O-N 2.93Å; I35-M38 HydrophobicContact CG1-CE 4.29Å; I35-M38 PolarHBondContact O-N 3.38Å; M38-Q42 VanDerWaalsContact O-CB 3.29Å; M38-Q42 WeakPolarHBondContact O-CB 3.49Å; M38-Q42 PolarHBondContact O-N 2.99Å
39	V	95.9	Very high	94.2	Very high	43 Å²	43	51 Å²	51	26%	0.261	26%	0.261	S	S	.	.	H	α-helix	trans	-65.5	-46.1	175.8	170.6	0	0	0	0	110.2	I35 I36 G41 Q42 Y43 V48 Y65	I35-V39 HydrophobicContact CG2-CG2 4.15Å; I35-V39 WeakPolarHBondContact O-CB 3.42Å; I35-V39 WeakPolarHBondContact O-CG2 3.31Å; I35-V39 PolarHBondContact O-N 2.97Å; I36-V39 PolarHBondContact O-N 3Å; V39-G41 PolarHBondContact O-N 3.15Å; V39-Q42 PolarHBondContact O-N 3.49Å; V39-Y43 HydrophobicContact CG1-CD2 4.05Å; V39-Y43 HydrophobicContact CG1-CE2 4.27Å; V39-Y43 WeakPolarHBondContact O-CD2 3.48Å; V39-Y43 PolarHBondContact O-N 3.36Å; V39-Y43 VanDerWaalsContact O-N 3.14Å; V39-V48 HydrophobicContact CG1-CG1 3.71Å; V39-V48 HydrophobicContact CG1-CG2 4.26Å; V39-Y65 WeakPolarHBondContact CB-OH 3.34Å; V39-Y65 HydrophobicContact CG1-CE2 4.49Å; V39-Y65 WeakPolarHBondContact CG1-OH 3.29Å
40	G	93.4	Very high	94	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.1	-45.7	176.3	0	0	0	0	0	112.5	I36 Q42 T44 Y45	I36-G40 PolarHBondContact O-N 3.33Å; G40-Q42 PolarHBondContact O-N 3.07Å; G40-T44 CarbonylContact O-C 3.14Å; G40-T44 WeakPolarHBondContact O-CA 3.33Å; G40-T44 PolarHBondContact O-N 3.04Å; G40-Y45 VanDerWaalsContact CA-CE2 3.47Å; G40-Y45 PolarHBondContact O-N 2.84Å
41	G	91.4	Very high	93.9	Very high	26 Å²	26	52.5 Å²	52.5	27%	0.268	27%	0.273	S	S	.	.	H	α-helix	trans	-66.8	-32.5	175.5	0	0	0	0	0	114.1	L37 V39	L37-G41 PolarHBondContact O-N 3.46Å; V39-G41 PolarHBondContact O-N 3.15Å
42	Q	92.4	Very high	93.6	Very high	142 Å²	142	50.9 Å²	50.9	66%	0.664	27%	0.266	S	S	*	.	H	α-helix	trans	-68.9	-43.2	178.5	177.4	177.5	-31.4	0	0	112.3	M38 V39 G40	M38-Q42 VanDerWaalsContact O-CB 3.29Å; M38-Q42 WeakPolarHBondContact O-CB 3.49Å; M38-Q42 PolarHBondContact O-N 2.99Å; V39-Q42 PolarHBondContact O-N 3.49Å; G40-Q42 PolarHBondContact O-N 3.07Å
43	Y	89	Confident	93.5	Very high	104 Å²	104	52.1 Å²	52.1	41%	0.408	27%	0.27	S	S	.	.	H	α-helix	trans	-92.5	-17.1	-177.3	-69.7	-83.1	0	0	0	113.3	V39 K47 V48 P49	V39-Y43 HydrophobicContact CG1-CD2 4.05Å; V39-Y43 HydrophobicContact CG1-CE2 4.27Å; V39-Y43 WeakPolarHBondContact O-CD2 3.48Å; V39-Y43 PolarHBondContact O-N 3.36Å; V39-Y43 VanDerWaalsContact O-N 3.14Å; Y43-K47 WeakPolarHBondContact O-CB 3.43Å; Y43-V48 HydrophobicContact CD2-CG2 4.38Å; Y43-V48 HydrophobicContact CG-CG2 4.44Å; Y43-P49 HydrophobicContact CE1-CG 4.21Å
44	T	88.9	Confident	93.2	Very high	56 Å²	56	53.3 Å²	53.3	34%	0.344	28%	0.278	S	S	.	.			trans	68	132.3	-148	-46	0	0	0	0	110.3	G40 A46 K47 V48	G40-T44 CarbonylContact O-C 3.14Å; G40-T44 WeakPolarHBondContact O-CA 3.33Å; G40-T44 PolarHBondContact O-N 3.04Å; T44-A46 VanDerWaalsContact C-N 3.27Å; T44-A46 PolarHBondContact O-N 3.25Å; T44-A46 VanDerWaalsContact O-N 3.16Å; T44-K47 PolarHBondContact O-N 2.87Å; T44-V48 PolarHBondContact O-N 3.48Å
45	Y	88.7	Confident	93.1	Very high	21 Å²	21	54.7 Å²	54.7	8%	0.082	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-51.7	-42	-174.2	-91.4	-98	0	0	0	113.9	E2 L37 G40 K47 V48 Y65 D66	E2-Y45 HydrophobicContact CB-CE2 4.08Å; E2-Y45 HydrophobicContact CG-CD2 4.06Å; E2-Y45 HydrophobicContact CG-CE2 3.92Å; L37-Y45 WeakPolarHBondContact CD2-OH 3.31Å; G40-Y45 VanDerWaalsContact CA-CE2 3.47Å; G40-Y45 PolarHBondContact O-N 2.84Å; Y45-K47 PolarHBondContact O-N 2.93Å; Y45-V48 PolarHBondContact O-N 3.47Å; Y45-Y65 AromaticContact CD1-CD1 3.4Å; Y45-Y65 HydrophobicContact CD1-CD1 3.4Å; Y45-Y65 VanDerWaalsContact CD1-CD1 3.4Å; Y45-Y65 AromaticContact CD1-CE1 3.92Å; Y45-Y65 HydrophobicContact CD1-CE1 3.92Å; Y45-Y65 HydrophobicContact CD1-CG 4.5Å; Y45-Y65 AromaticContact CE1-CD1 3.65Å; Y45-Y65 HydrophobicContact CE1-CD1 3.65Å; Y45-Y65 AromaticContact CE1-CE1 3.72Å; Y45-Y65 HydrophobicContact CE1-CE1 3.72Å; Y45-Y65 HydrophobicContact CG-CD1 4.21Å; Y45-D66 HydrophobicContact CD1-CB 3.7Å; Y45-D66 VanDerWaalsContact CD1-OD1 3.27Å; Y45-D66 WeakPolarHBondContact CD1-OD1 3.44Å; Y45-D66 HydrophobicContact CE1-CB 4.43Å; Y45-D66 WeakPolarHBondContact CE1-OD1 3.18Å; Y45-D66 HydrophobicContact CG-CB 4.34Å
46	A	88.7	Confident	92.9	Very high	20 Å²	20	59.3 Å²	59.3	17%	0.165	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-63.4	-11.6	177.1	0	0	0	0	0	114.9	T44 F52 N63 Q134	T44-A46 VanDerWaalsContact C-N 3.27Å; T44-A46 PolarHBondContact O-N 3.25Å; T44-A46 VanDerWaalsContact O-N 3.16Å; A46-F52 VanDerWaalsContact O-CZ 3.26Å; A46-F52 WeakPolarHBondContact O-CZ 3.43Å; A46-N63 WeakPolarHBondContact O-CB 3.37Å; A46-N63 PolarHBondContact O-ND2 2.99Å; A46-Q134 HydrophobicContact CB-CG 3.76Å
47	K	90.7	Very high	92.9	Very high	135 Å²	135	67.8 Å²	67.8	59%	0.587	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-122.5	8.6	-172.3	-58.7	178	-176.9	169.1	0	113.6	Y43 T44 Y45 P49	Y43-K47 WeakPolarHBondContact O-CB 3.43Å; T44-K47 PolarHBondContact O-N 2.87Å; Y45-K47 PolarHBondContact O-N 2.93Å; K47-P49 WeakPolarHBondContact O-CD 3.42Å
48	V	93.3	Very high	92.8	Very high	3 Å²	3	73 Å²	73	2%	0.018	36%	0.36	C	S	.	.			trans	-68.6	124.9	178.2	-178.9	0	0	0	0	109.6	V39 Y43 T44 Y45 V50 G51 N63 Y65	V39-V48 HydrophobicContact CG1-CG1 3.71Å; V39-V48 HydrophobicContact CG1-CG2 4.26Å; Y43-V48 HydrophobicContact CD2-CG2 4.38Å; Y43-V48 HydrophobicContact CG-CG2 4.44Å; T44-V48 PolarHBondContact O-N 3.48Å; Y45-V48 PolarHBondContact O-N 3.47Å; V48-V50 HydrophobicContact CG1-CG1 3.96Å; V48-V50 PolarHBondContact O-N 3.48Å; V48-G51 WeakPolarHBondContact O-CA 3.31Å; V48-G51 PolarHBondContact O-N 3.34Å; V48-N63 PolarHBondContact O-ND2 3.35Å; V48-Y65 HydrophobicContact CB-CD1 3.87Å; V48-Y65 HydrophobicContact CB-CD2 3.92Å; V48-Y65 HydrophobicContact CB-CE1 4.32Å; V48-Y65 HydrophobicContact CB-CE2 4.33Å; V48-Y65 HydrophobicContact CB-CG 3.66Å; V48-Y65 HydrophobicContact CG1-CD1 4.24Å; V48-Y65 HydrophobicContact CG1-CD2 3.63Å; V48-Y65 HydrophobicContact CG1-CE1 4.3Å; V48-Y65 HydrophobicContact CG1-CE2 3.68Å; V48-Y65 HydrophobicContact CG1-CG 3.92Å; V48-Y65 HydrophobicContact CG2-CD1 3.47Å; V48-Y65 VanDerWaalsContact CG2-CD1 3.47Å; V48-Y65 HydrophobicContact CG2-CD2 4.37Å; V48-Y65 HydrophobicContact CG2-CE1 3.72Å; V48-Y65 HydrophobicContact CG2-CG 3.84Å
49	P	93.9	Very high	92.6	Very high	63 Å²	63	72.1 Å²	72.1	41%	0.409	37%	0.373	S	S	.	.	H	α-helix	trans	-53.2	-47.7	-173.3	-31.1	36.6	0	0	0	115.2	Y43 K47 G51 F52 E53	Y43-P49 HydrophobicContact CE1-CG 4.21Å; K47-P49 WeakPolarHBondContact O-CD 3.42Å; P49-G51 PolarHBondContact O-N 3.39Å; P49-G51 VanDerWaalsContact O-N 3.14Å; P49-F52 WeakPolarHBondContact O-CB 3.37Å; P49-F52 PolarHBondContact O-N 3.48Å; P49-E53 PolarHBondContact O-N 3.05Å
50	V	94	Very high	92.4	Very high	70 Å²	70	73.5 Å²	73.5	42%	0.424	38%	0.379	S	S	.	.	H	α-helix	trans	-60.7	-27.7	179.9	74.2	0	0	0	0	112.3	V48 F52 E53 V54 Y65	V48-V50 HydrophobicContact CG1-CG1 3.96Å; V48-V50 PolarHBondContact O-N 3.48Å; V50-F52 VanDerWaalsContact C-N 3.34Å; V50-E53 PolarHBondContact O-N 3.16Å; V50-V54 WeakPolarHBondContact O-CG2 3.48Å; V50-V54 PolarHBondContact O-N 3.48Å; V50-V54 VanDerWaalsContact O-N 3.09Å; V50-Y65 HydrophobicContact CG1-CD2 3.71Å; V50-Y65 HydrophobicContact CG1-CE2 3.85Å
51	G	93.9	Very high	92.2	Very high	2 Å²	2	79.2 Å²	79.2	2%	0.021	42%	0.419	C	S	.	.	H	α-helix	trans	-66.7	-34.8	175.9	0	0	0	0	0	112.8	V48 P49 V54 Q55 N63 P64	V48-G51 WeakPolarHBondContact O-CA 3.31Å; V48-G51 PolarHBondContact O-N 3.34Å; P49-G51 PolarHBondContact O-N 3.39Å; P49-G51 VanDerWaalsContact O-N 3.14Å; G51-V54 PolarHBondContact O-N 3.02Å; G51-Q55 VanDerWaalsContact O-CB 3.28Å; G51-Q55 WeakPolarHBondContact O-CB 3.39Å; G51-Q55 PolarHBondContact O-N 2.89Å; G51-N63 WeakPolarHBondContact CA-OD1 3.3Å; G51-P64 VanDerWaalsContact O-CD 3.23Å; G51-P64 WeakPolarHBondContact O-CD 3.07Å
52	F	93.5	Very high	92.1	Very high	97 Å²	97	79.1 Å²	79.1	43%	0.425	41%	0.41	S	S	.	.	H	α-helix	trans	-68.6	-36.2	174.1	-64.7	-64.8	0	0	0	112.2	A46 P49 V50 Q55 E56 N63	A46-F52 VanDerWaalsContact O-CZ 3.26Å; A46-F52 WeakPolarHBondContact O-CZ 3.43Å; P49-F52 WeakPolarHBondContact O-CB 3.37Å; P49-F52 PolarHBondContact O-N 3.48Å; V50-F52 VanDerWaalsContact C-N 3.34Å; F52-Q55 WeakPolarHBondContact O-CB 3.41Å; F52-Q55 PolarHBondContact O-N 3.24Å; F52-E56 PolarHBondContact O-N 3.16Å; F52-N63 HydrophobicContact CD1-CB 4.27Å; F52-N63 HydrophobicContact CE1-CB 4.06Å; F52-N63 PolarHBondContact N-ND2 2.89Å
53	E	94	Very high	92.2	Very high	98 Å²	98	72.3 Å²	72.3	46%	0.458	38%	0.379	S	S	.	.	H	α-helix	trans	-62.1	-46.8	174.2	-63.4	175.4	-152.8	0	0	111	P49 V50 Q55 E56 W57	P49-E53 PolarHBondContact O-N 3.05Å; V50-E53 PolarHBondContact O-N 3.16Å; E53-Q55 VanDerWaalsContact C-N 3.33Å; E53-Q55 PolarHBondContact O-N 3.43Å; E53-E56 PolarHBondContact O-N 3.19Å; E53-W57 WeakPolarHBondContact O-CB 3.29Å; E53-W57 PolarHBondContact O-N 3.08Å
54	V	93.4	Very high	92.4	Very high	47 Å²	47	68.4 Å²	68.4	29%	0.285	37%	0.366	S	S	.	.	H	α-helix	trans	-64.4	-39.6	176.4	176.6	0	0	0	0	111.3	V50 G51 E56 W57 L58 P64	V50-V54 WeakPolarHBondContact O-CG2 3.48Å; V50-V54 PolarHBondContact O-N 3.48Å; V50-V54 VanDerWaalsContact O-N 3.09Å; G51-V54 PolarHBondContact O-N 3.02Å; V54-E56 VanDerWaalsContact C-N 3.34Å; V54-E56 PolarHBondContact O-N 2.95Å; V54-W57 PolarHBondContact O-N 2.97Å; V54-L58 HydrophobicContact CG1-CD1 3.81Å; V54-L58 HydrophobicContact CG1-CG 4.39Å; V54-L58 WeakPolarHBondContact O-CB 3.41Å; V54-L58 PolarHBondContact O-N 3.43Å; V54-P64 HydrophobicContact CB-CG 4.14Å; V54-P64 HydrophobicContact CG1-CG 3.74Å
55	Q	93.6	Very high	92.7	Very high	44 Å²	44	66.5 Å²	66.5	21%	0.206	35%	0.353	C	S	.	.	H	α-helix	trans	-57.4	-48.3	175.7	-178.7	-176.9	-12.1	0	0	111	G51 F52 E53 G59 L60 S61 R62 N63	G51-Q55 VanDerWaalsContact O-CB 3.28Å; G51-Q55 WeakPolarHBondContact O-CB 3.39Å; G51-Q55 PolarHBondContact O-N 2.89Å; F52-Q55 WeakPolarHBondContact O-CB 3.41Å; F52-Q55 PolarHBondContact O-N 3.24Å; E53-Q55 VanDerWaalsContact C-N 3.33Å; E53-Q55 PolarHBondContact O-N 3.43Å; Q55-G59 CarbonylContact O-C 3.59Å; Q55-G59 WeakPolarHBondContact O-CA 3.47Å; Q55-G59 PolarHBondContact O-N 2.93Å; Q55-L60 HydrophobicContact CG-CB 4.04Å; Q55-L60 WeakPolarHBondContact CG-O 3.48Å; Q55-L60 PolarHBondContact NE2-O 2.88Å; Q55-L60 VanDerWaalsContact NE2-O 3.16Å; Q55-L60 PolarHBondContact O-N 2.95Å; Q55-S61 PolarHBondContact NE2-O 3.2Å; Q55-R62 WeakPolarHBondContact CG-O 3.06Å; Q55-R62 VanDerWaalsContact OE1-C 3.24Å; Q55-N63 VanDerWaalsContact OE1-N 3.16Å
56	E	94.5	Very high	92.9	Very high	160 Å²	160	66.5 Å²	66.5	75%	0.748	35%	0.354	S	S	*	.	H	α-helix	trans	-65.1	-47.1	178.7	-174.3	177.8	-177.5	0	0	111.6	F52 E53 V54 L58 G59	F52-E56 PolarHBondContact O-N 3.16Å; E53-E56 PolarHBondContact O-N 3.19Å; V54-E56 VanDerWaalsContact C-N 3.34Å; V54-E56 PolarHBondContact O-N 2.95Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 3.27Å; E56-G59 PolarHBondContact O-N 2.85Å
57	W	95	Very high	93.3	Very high	194 Å²	194	67.3 Å²	67.3	74%	0.735	35%	0.354	S	S	*	.	H	α-helix	trans	-61.7	-35.2	-178.5	-68.3	-4.4	0	0	0	113.5	E53 V54	E53-W57 WeakPolarHBondContact O-CB 3.29Å; E53-W57 PolarHBondContact O-N 3.08Å; V54-W57 PolarHBondContact O-N 2.97Å
58	L	94.2	Very high	93.5	Very high	123 Å²	123	64.3 Å²	64.3	64%	0.644	34%	0.344	S	S	*	.	H	α-helix	trans	-99.2	-2.3	-178.7	-63.1	-179.1	0	0	0	113.4	V54 E56 L60	V54-L58 HydrophobicContact CG1-CD1 3.81Å; V54-L58 HydrophobicContact CG1-CG 4.39Å; V54-L58 WeakPolarHBondContact O-CB 3.41Å; V54-L58 PolarHBondContact O-N 3.43Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 3.27Å; L58-L60 VanDerWaalsContact C-N 3.31Å; L58-L60 HydrophobicContact CB-CD1 3.91Å; L58-L60 HydrophobicContact CB-CD2 4.34Å; L58-L60 HydrophobicContact CB-CG 3.73Å; L58-L60 HydrophobicContact CD1-CD1 4.05Å; L58-L60 PolarHBondContact O-N 2.71Å
59	G	91.7	Very high	93.6	Very high	67 Å²	67	64.4 Å²	64.4	69%	0.691	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	35.3	-177.3	0	0	0	0	0	113.6	Q55 E56	Q55-G59 CarbonylContact O-C 3.59Å; Q55-G59 WeakPolarHBondContact O-CA 3.47Å; Q55-G59 PolarHBondContact O-N 2.93Å; E56-G59 PolarHBondContact O-N 2.85Å
60	L	91.6	Very high	93.8	Very high	71 Å²	71	61.6 Å²	61.6	37%	0.372	33%	0.326	S	S	.	.			trans	-79.4	151.1	-176.9	-60	169.4	0	0	0	111.3	Q55 L58 R62 P64	Q55-L60 HydrophobicContact CG-CB 4.04Å; Q55-L60 WeakPolarHBondContact CG-O 3.48Å; Q55-L60 PolarHBondContact NE2-O 2.88Å; Q55-L60 VanDerWaalsContact NE2-O 3.16Å; Q55-L60 PolarHBondContact O-N 2.95Å; L58-L60 VanDerWaalsContact C-N 3.31Å; L58-L60 HydrophobicContact CB-CD1 3.91Å; L58-L60 HydrophobicContact CB-CD2 4.34Å; L58-L60 HydrophobicContact CB-CG 3.73Å; L58-L60 HydrophobicContact CD1-CD1 4.05Å; L58-L60 PolarHBondContact O-N 2.71Å; L60-R62 VanDerWaalsContact C-N 3.26Å; L60-R62 PolarHBondContact O-N 3.46Å; L60-P64 HydrophobicContact CD1-CB 3.84Å; L60-P64 HydrophobicContact CD1-CG 3.7Å
61	S	89.3	Confident	94	Very high	120 Å²	120	61 Å²	61	84%	0.839	32%	0.318	S	S	*	.	S	Bend	trans	-70.1	-22.6	-180	54.5	0	0	0	0	113.7	Q55	Q55-S61 PolarHBondContact NE2-O 3.2Å
62	R	90.6	Very high	94.2	Very high	24 Å²	24	62.4 Å²	62.4	9%	0.091	32%	0.324	C	S	.	.	S	Bend	trans	-149.3	167.8	-173.7	71	169.1	169.6	133.9	-2.9	112.2	Q55 L60 P64 Q134 D136 D139	Q55-R62 WeakPolarHBondContact CG-O 3.06Å; Q55-R62 VanDerWaalsContact OE1-C 3.24Å; L60-R62 VanDerWaalsContact C-N 3.26Å; L60-R62 PolarHBondContact O-N 3.46Å; R62-P64 WeakPolarHBondContact O-CD 3.38Å; R62-Q134 HydrophobicContact CB-CB 4.11Å; R62-D136 IonicContact CZ-OD2 2.61Å; R62-D136 IonicContact NE-OD2 2.76Å; R62-D136 IonicContact NH2-OD2 3.67Å; R62-D136 PolarHBondContact NH2-OD2 3.25Å; R62-D139 IonicContact CZ-OD1 3.06Å; R62-D139 IonicContact NH1-OD1 3.76Å; R62-D139 PolarHBondContact NH1-OD1 2.92Å; R62-D139 IonicContact NH1-OD2 3.07Å; R62-D139 IonicContact NH2-OD1 3.84Å; R62-D139 PolarHBondContact NH2-OD1 2.91Å
63	N	92.9	Very high	94.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.307	C	S	.	.			trans	-68.6	116.9	178.6	-176.4	-40	0	0	0	109.4	A46 V48 G51 F52 Q55 Y65 Q134	A46-N63 WeakPolarHBondContact O-CB 3.37Å; A46-N63 PolarHBondContact O-ND2 2.99Å; V48-N63 PolarHBondContact O-ND2 3.35Å; G51-N63 WeakPolarHBondContact CA-OD1 3.3Å; F52-N63 HydrophobicContact CD1-CB 4.27Å; F52-N63 HydrophobicContact CE1-CB 4.06Å; F52-N63 PolarHBondContact N-ND2 2.89Å; Q55-N63 VanDerWaalsContact OE1-N 3.16Å; N63-Y65 VanDerWaalsContact C-N 3.33Å; N63-Y65 PolarHBondContact O-N 3.33Å; N63-Y65 WeakPolarHBondContact OD1-CB 3.34Å; N63-Y65 PolarHBondContact OD1-N 3.24Å; N63-Q134 VanDerWaalsContact N-OE1 3.09Å; N63-Q134 PolarHBondContact O-NE2 2.97Å; N63-Q134 VanDerWaalsContact O-NE2 3.11Å
64	P	94.1	Very high	94.6	Very high	22 Å²	22	53.9 Å²	53.9	14%	0.143	29%	0.285	C	S	.	.			trans	-91.8	12.8	-173.3	40.3	-38.5	0	0	0	113.1	G51 V54 L60 R62 D66 K67	G51-P64 VanDerWaalsContact O-CD 3.23Å; G51-P64 WeakPolarHBondContact O-CD 3.07Å; V54-P64 HydrophobicContact CB-CG 4.14Å; V54-P64 HydrophobicContact CG1-CG 3.74Å; L60-P64 HydrophobicContact CD1-CB 3.84Å; L60-P64 HydrophobicContact CD1-CG 3.7Å; R62-P64 WeakPolarHBondContact O-CD 3.38Å; P64-D66 PolarHBondContact O-N 3.43Å; P64-D66 VanDerWaalsContact O-N 3.07Å; P64-K67 HydrophobicContact CB-CG 4.43Å; P64-K67 WeakPolarHBondContact O-CB 3.31Å; P64-K67 PolarHBondContact O-N 3.38Å
65	Y	95.6	Very high	94.8	Very high	16 Å²	16	52.1 Å²	52.1	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-55.9	-29.9	-177.2	-174.3	-95.5	0	0	0	112.2	I36 V39 Y45 V48 V50 N63 K67 L68 G69	I36-Y65 WeakPolarHBondContact CA-OH 3.36Å; I36-Y65 HydrophobicContact CG2-CE1 4.31Å; I36-Y65 PolarHBondContact O-OH 3.29Å; V39-Y65 WeakPolarHBondContact CB-OH 3.34Å; V39-Y65 HydrophobicContact CG1-CE2 4.49Å; V39-Y65 WeakPolarHBondContact CG1-OH 3.29Å; Y45-Y65 AromaticContact CD1-CD1 3.4Å; Y45-Y65 HydrophobicContact CD1-CD1 3.4Å; Y45-Y65 VanDerWaalsContact CD1-CD1 3.4Å; Y45-Y65 AromaticContact CD1-CE1 3.92Å; Y45-Y65 HydrophobicContact CD1-CE1 3.92Å; Y45-Y65 HydrophobicContact CD1-CG 4.5Å; Y45-Y65 AromaticContact CE1-CD1 3.65Å; Y45-Y65 HydrophobicContact CE1-CD1 3.65Å; Y45-Y65 AromaticContact CE1-CE1 3.72Å; Y45-Y65 HydrophobicContact CE1-CE1 3.72Å; Y45-Y65 HydrophobicContact CG-CD1 4.21Å; V48-Y65 HydrophobicContact CB-CD1 3.87Å; V48-Y65 HydrophobicContact CB-CD2 3.92Å; V48-Y65 HydrophobicContact CB-CE1 4.32Å; V48-Y65 HydrophobicContact CB-CE2 4.33Å; V48-Y65 HydrophobicContact CB-CG 3.66Å; V48-Y65 HydrophobicContact CG1-CD1 4.24Å; V48-Y65 HydrophobicContact CG1-CD2 3.63Å; V48-Y65 HydrophobicContact CG1-CE1 4.3Å; V48-Y65 HydrophobicContact CG1-CE2 3.68Å; V48-Y65 HydrophobicContact CG1-CG 3.92Å; V48-Y65 HydrophobicContact CG2-CD1 3.47Å; V48-Y65 VanDerWaalsContact CG2-CD1 3.47Å; V48-Y65 HydrophobicContact CG2-CD2 4.37Å; V48-Y65 HydrophobicContact CG2-CE1 3.72Å; V48-Y65 HydrophobicContact CG2-CG 3.84Å; V50-Y65 HydrophobicContact CG1-CD2 3.71Å; V50-Y65 HydrophobicContact CG1-CE2 3.85Å; N63-Y65 VanDerWaalsContact C-N 3.33Å; N63-Y65 PolarHBondContact O-N 3.33Å; N63-Y65 WeakPolarHBondContact OD1-CB 3.34Å; N63-Y65 PolarHBondContact OD1-N 3.24Å; Y65-K67 VanDerWaalsContact C-N 3.35Å; Y65-K67 PolarHBondContact O-N 3.26Å; Y65-L68 HydrophobicContact CD2-CD2 4.46Å; Y65-L68 HydrophobicContact CE2-CD2 4.14Å; Y65-L68 VanDerWaalsContact O-CB 3.31Å; Y65-L68 WeakPolarHBondContact O-CB 3.23Å; Y65-L68 PolarHBondContact O-N 3.03Å; Y65-G69 PolarHBondContact O-N 3.31Å
66	D	93.2	Very high	95	Very high	21 Å²	21	50.4 Å²	50.4	11%	0.112	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-37.3	175.1	-163	34.8	0	0	0	113.8	Y45 P64 L68 G69 H70	Y45-D66 HydrophobicContact CD1-CB 3.7Å; Y45-D66 VanDerWaalsContact CD1-OD1 3.27Å; Y45-D66 WeakPolarHBondContact CD1-OD1 3.44Å; Y45-D66 HydrophobicContact CE1-CB 4.43Å; Y45-D66 WeakPolarHBondContact CE1-OD1 3.18Å; Y45-D66 HydrophobicContact CG-CB 4.34Å; P64-D66 PolarHBondContact O-N 3.43Å; P64-D66 VanDerWaalsContact O-N 3.07Å; D66-L68 PolarHBondContact O-N 2.9Å; D66-L68 VanDerWaalsContact O-N 3.17Å; D66-G69 CarbonylContact O-C 3.53Å; D66-G69 VanDerWaalsContact O-CA 3.29Å; D66-G69 WeakPolarHBondContact O-CA 3.32Å; D66-G69 PolarHBondContact O-N 3.42Å; D66-H70 PolarHBondContact O-CD2 3.39Å; D66-H70 VanDerWaalsContact O-CD2 3.24Å; D66-H70 PolarHBondContact O-N 3.2Å; D66-H70 IonicContact OD1-CD2 2.8Å; D66-H70 PolarHBondContact OD1-CD2 2.9Å; D66-H70 IonicContact OD1-NE2 2.62Å; D66-H70 PolarHBondContact OD1-NE2 3.4Å; D66-H70 IonicContact OD2-CD2 3.09Å; D66-H70 IonicContact OD2-NE2 3.97Å
67	K	95.3	Very high	95.2	Very high	37 Å²	37	43.8 Å²	43.8	16%	0.161	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-29.1	175	-52.6	-55	166.9	-162.1	0	112.3	P64 Y65 F71 D139 S142 D143	P64-K67 HydrophobicContact CB-CG 4.43Å; P64-K67 WeakPolarHBondContact O-CB 3.31Å; P64-K67 PolarHBondContact O-N 3.38Å; Y65-K67 VanDerWaalsContact C-N 3.35Å; Y65-K67 PolarHBondContact O-N 3.26Å; K67-F71 VanDerWaalsContact O-CB 3.3Å; K67-F71 WeakPolarHBondContact O-CB 3.15Å; K67-F71 PolarHBondContact O-N 3.05Å; K67-D139 IonicContact NZ-OD1 3.3Å; K67-D139 PolarHBondContact NZ-OD1 3.29Å; K67-S142 WeakPolarHBondContact CE-OG 3.28Å; K67-S142 PolarHBondContact NZ-OG 2.85Å; K67-D143 WeakPolarHBondContact CD-OD1 3.32Å; K67-D143 IonicContact NZ-OD1 2.9Å; K67-D143 PolarHBondContact NZ-OD1 3.06Å; K67-D143 IonicContact NZ-OD2 2.79Å; K67-D143 PolarHBondContact NZ-OD2 3.28Å
68	L	96	Very high	95.3	Very high	72 Å²	72	34.5 Å²	34.5	38%	0.377	20%	0.203	S	C	.	.	H	α-helix	trans	-68.1	-43	170.5	-179.6	66.7	0	0	0	111.4	I36 Y65 D66 F71 F72	I36-L68 HydrophobicContact CD1-CD2 4.3Å; I36-L68 HydrophobicContact CD1-CG 4.16Å; I36-L68 HydrophobicContact CG1-CD2 4.34Å; Y65-L68 HydrophobicContact CD2-CD2 4.46Å; Y65-L68 HydrophobicContact CE2-CD2 4.14Å; Y65-L68 VanDerWaalsContact O-CB 3.31Å; Y65-L68 WeakPolarHBondContact O-CB 3.23Å; Y65-L68 PolarHBondContact O-N 3.03Å; D66-L68 PolarHBondContact O-N 2.9Å; D66-L68 VanDerWaalsContact O-N 3.17Å; L68-F71 PolarHBondContact O-N 3.28Å; L68-F72 HydrophobicContact CD1-CD2 4.01Å; L68-F72 HydrophobicContact CD1-CE2 3.88Å; L68-F72 HydrophobicContact CG-CD2 4.44Å; L68-F72 WeakPolarHBondContact O-CD2 3.45Å; L68-F72 PolarHBondContact O-N 3.49Å
69	G	96.2	Very high	95.5	Very high	4 Å²	4	28.7 Å²	28.7	4%	0.041	17%	0.172	C	C	.	.	H	α-helix	trans	-55.4	-53.3	172.1	0	0	0	0	0	111.5	Y65 D66 F71 F72 Q73	Y65-G69 PolarHBondContact O-N 3.31Å; D66-G69 CarbonylContact O-C 3.53Å; D66-G69 VanDerWaalsContact O-CA 3.29Å; D66-G69 WeakPolarHBondContact O-CA 3.32Å; D66-G69 PolarHBondContact O-N 3.42Å; G69-F71 VanDerWaalsContact C-N 3.34Å; G69-F71 PolarHBondContact O-N 2.82Å; G69-F72 CarbonylContact O-C 3.57Å; G69-F72 PolarHBondContact O-N 2.93Å; G69-F72 VanDerWaalsContact O-N 3.1Å; G69-Q73 WeakPolarHBondContact O-CB 3.15Å; G69-Q73 PolarHBondContact O-N 3.38Å
70	H	97.1	Very high	95.7	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.019	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-35.4	179.5	-74	-77.5	0	0	0	113.4	D66 F72 Q73 G74 E113 D143 C146 A147	D66-H70 PolarHBondContact O-CD2 3.39Å; D66-H70 VanDerWaalsContact O-CD2 3.24Å; D66-H70 PolarHBondContact O-N 3.2Å; D66-H70 IonicContact OD1-CD2 2.8Å; D66-H70 PolarHBondContact OD1-CD2 2.9Å; D66-H70 IonicContact OD1-NE2 2.62Å; D66-H70 PolarHBondContact OD1-NE2 3.4Å; D66-H70 IonicContact OD2-CD2 3.09Å; D66-H70 IonicContact OD2-NE2 3.97Å; H70-F72 PolarHBondContact O-N 2.97Å; H70-Q73 PolarHBondContact ND1-NE2 3.28Å; H70-Q73 CarbonylContact O-C 3.51Å; H70-Q73 WeakPolarHBondContact O-CB 3.3Å; H70-Q73 PolarHBondContact O-N 3.13Å; H70-G74 PolarHBondContact O-N 2.82Å; H70-E113 IonicContact CE1-OE1 3.45Å; H70-E113 PolarHBondContact CE1-OE1 3Å; H70-E113 IonicContact ND1-OE1 3.47Å; H70-E113 IonicContact NE2-OE1 3.61Å; H70-D143 HydrophobicContact CB-CB 4.29Å; H70-D143 IonicContact CD2-OD1 3.5Å; H70-D143 PolarHBondContact CD2-OD1 3.3Å; H70-D143 IonicContact CG-OD1 3.09Å; H70-D143 VanDerWaalsContact CG-OD1 3.3Å; H70-D143 VanDerWaalsContact NE2-CG 3.35Å; H70-D143 IonicContact NE2-OD1 2.77Å; H70-D143 PolarHBondContact NE2-OD1 2.91Å; H70-C146 HydrophobicContact CB-CB 3.89Å; H70-A147 WeakPolarHBondContact O-CA 3.31Å; H70-A147 WeakPolarHBondContact O-CB 3.44Å; H70-A147 PolarHBondContact O-N 3.23Å
71	F	98.2	Very high	96	Very high	58 Å²	58	24.6 Å²	24.6	25%	0.254	14%	0.138	S	C	.	.	H	α-helix	trans	-59.3	-46.1	170.7	-178.5	-94.8	0	0	0	111.8	K67 L68 G69 G74 L75 L149 G150 T153	K67-F71 VanDerWaalsContact O-CB 3.3Å; K67-F71 WeakPolarHBondContact O-CB 3.15Å; K67-F71 PolarHBondContact O-N 3.05Å; L68-F71 PolarHBondContact O-N 3.28Å; G69-F71 VanDerWaalsContact C-N 3.34Å; G69-F71 PolarHBondContact O-N 2.82Å; F71-G74 WeakPolarHBondContact O-CA 3.46Å; F71-G74 PolarHBondContact O-N 3.28Å; F71-G74 VanDerWaalsContact O-N 3.14Å; F71-L75 HydrophobicContact CE1-CD1 4.26Å; F71-L75 HydrophobicContact CE1-CD2 4.36Å; F71-L75 HydrophobicContact CZ-CD1 4.39Å; F71-L75 WeakPolarHBondContact O-CB 3.39Å; F71-L75 PolarHBondContact O-N 2.91Å; F71-L149 HydrophobicContact CD2-CB 4.34Å; F71-L149 HydrophobicContact CE2-CB 4.41Å; F71-G150 VanDerWaalsContact CE2-CA 3.48Å; F71-G150 WeakPolarHBondContact O-CA 3.46Å; F71-T153 HydrophobicContact CZ-CG2 4.06Å
72	F	98.1	Very high	96.4	Very high	31 Å²	31	18.9 Å²	18.9	14%	0.136	10%	0.098	C	C	.	.	H	α-helix	trans	-69.7	-31.1	175.8	-89.4	-103.4	0	0	0	113.1	L29 L32 H33 I36 L68 G69 H70 G74 L75 V76	L29-F72 HydrophobicContact CD2-CE1 4.35Å; L32-F72 HydrophobicContact CB-CE1 4.01Å; H33-F72 HydrophobicContact CB-CB 4.32Å; H33-F72 HydrophobicContact CB-CD1 3.91Å; I36-F72 HydrophobicContact CD1-CB 4.24Å; I36-F72 HydrophobicContact CD1-CD1 3.82Å; I36-F72 HydrophobicContact CD1-CD2 3.36Å; I36-F72 HydrophobicContact CD1-CE1 3.93Å; I36-F72 HydrophobicContact CD1-CE2 3.5Å; I36-F72 HydrophobicContact CD1-CG 3.53Å; I36-F72 HydrophobicContact CD1-CZ 3.78Å; L68-F72 HydrophobicContact CD1-CD2 4.01Å; L68-F72 HydrophobicContact CD1-CE2 3.88Å; L68-F72 HydrophobicContact CG-CD2 4.44Å; L68-F72 WeakPolarHBondContact O-CD2 3.45Å; L68-F72 PolarHBondContact O-N 3.49Å; G69-F72 CarbonylContact O-C 3.57Å; G69-F72 PolarHBondContact O-N 2.93Å; G69-F72 VanDerWaalsContact O-N 3.1Å; H70-F72 PolarHBondContact O-N 2.97Å; F72-G74 PolarHBondContact O-N 3.44Å; F72-L75 HydrophobicContact CD1-CD2 4.27Å; F72-L75 HydrophobicContact CE1-CD2 4.22Å; F72-L75 PolarHBondContact O-N 2.95Å; F72-V76 HydrophobicContact CD1-CG2 4.05Å; F72-V76 WeakPolarHBondContact O-CB 3.43Å; F72-V76 PolarHBondContact O-N 3.1Å
73	Q	97.3	Very high	96.7	Very high	17 Å²	17	17.8 Å²	17.8	8%	0.079	9%	0.093	C	C	.	.	H	α-helix	trans	-63.9	-25.8	169.4	-178.2	166.7	-78.2	0	0	112.6	G69 H70 P77 S109	G69-Q73 WeakPolarHBondContact O-CB 3.15Å; G69-Q73 PolarHBondContact O-N 3.38Å; H70-Q73 PolarHBondContact ND1-NE2 3.28Å; H70-Q73 CarbonylContact O-C 3.51Å; H70-Q73 WeakPolarHBondContact O-CB 3.3Å; H70-Q73 PolarHBondContact O-N 3.13Å; Q73-P77 WeakPolarHBondContact O-CD 3.5Å; Q73-P77 WeakPolarHBondContact O-CG 3.48Å; Q73-S109 PolarHBondContact NE2-OG 2.97Å
74	G	98	Very high	96.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-75.9	-56.3	165	0	0	0	0	0	113	H70 F71 F72 A78 A147	H70-G74 PolarHBondContact O-N 2.82Å; F71-G74 WeakPolarHBondContact O-CA 3.46Å; F71-G74 PolarHBondContact O-N 3.28Å; F71-G74 VanDerWaalsContact O-N 3.14Å; F72-G74 PolarHBondContact O-N 3.44Å; G74-A78 WeakPolarHBondContact O-CB 3.48Å; G74-A78 PolarHBondContact O-N 3.5Å; G74-A78 VanDerWaalsContact O-N 3.13Å; G74-A147 WeakPolarHBondContact CA-O 3.27Å
75	L	98.3	Very high	97	Very high	10 Å²	10	21.7 Å²	21.7	5%	0.052	11%	0.112	C	C	.	.	H	α-helix	trans	-59.5	-52.5	-169.9	-170.6	83.9	0	0	0	112.5	L29 F71 F72 L79 G150 T153 T154 L158	L29-L75 HydrophobicContact CD2-CD2 4.12Å; F71-L75 HydrophobicContact CE1-CD1 4.26Å; F71-L75 HydrophobicContact CE1-CD2 4.36Å; F71-L75 HydrophobicContact CZ-CD1 4.39Å; F71-L75 WeakPolarHBondContact O-CB 3.39Å; F71-L75 PolarHBondContact O-N 2.91Å; F72-L75 HydrophobicContact CD1-CD2 4.27Å; F72-L75 HydrophobicContact CE1-CD2 4.22Å; F72-L75 PolarHBondContact O-N 2.95Å; L75-L79 WeakPolarHBondContact O-CB 3.46Å; L75-L79 PolarHBondContact O-N 3Å; L75-L79 VanDerWaalsContact O-N 3.08Å; L75-G150 WeakPolarHBondContact CA-O 3.37Å; L75-G150 WeakPolarHBondContact CD1-O 3.48Å; L75-T153 HydrophobicContact CD1-CG2 3.83Å; L75-T154 WeakPolarHBondContact CA-OG1 3.41Å; L75-T154 VanDerWaalsContact CD1-OG1 3.29Å; L75-T154 WeakPolarHBondContact CD1-OG1 3.26Å; L75-T154 PolarHBondContact O-OG1 2.92Å; L75-L158 HydrophobicContact CD1-CD1 3.89Å; L75-L158 HydrophobicContact CG-CD1 4.21Å
76	V	98	Very high	97	Very high	7 Å²	7	22.4 Å²	22.4	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-74.7	-52.3	-171	178.6	0	0	0	0	112	L26 L29 I30 H33 F72 A78 L79 V80	L26-V76 HydrophobicContact CD1-CG1 4.26Å; L29-V76 HydrophobicContact CB-CG2 4.01Å; I30-V76 HydrophobicContact CG1-CG1 3.6Å; H33-V76 HydrophobicContact CB-CG2 3.93Å; F72-V76 HydrophobicContact CD1-CG2 4.05Å; F72-V76 WeakPolarHBondContact O-CB 3.43Å; F72-V76 PolarHBondContact O-N 3.1Å; V76-A78 PolarHBondContact O-N 2.99Å; V76-L79 WeakPolarHBondContact O-CB 3.39Å; V76-L79 PolarHBondContact O-N 3.07Å; V76-V80 HydrophobicContact CG1-CG2 4.42Å; V76-V80 WeakPolarHBondContact O-CG2 3.41Å; V76-V80 PolarHBondContact O-N 3.38Å
77	P	97.8	Very high	97.1	Very high	21 Å²	21	23 Å²	23	14%	0.136	12%	0.119	C	C	.	.	H	α-helix	trans	-58.6	-34.5	174.3	-27.4	39.8	0	0	0	113.2	Q73 L79 V80 A81 I108	Q73-P77 WeakPolarHBondContact O-CD 3.5Å; Q73-P77 WeakPolarHBondContact O-CG 3.48Å; P77-L79 VanDerWaalsContact C-N 3.34Å; P77-L79 PolarHBondContact O-N 2.7Å; P77-V80 PolarHBondContact O-N 3.39Å; P77-A81 VanDerWaalsContact O-CB 3.3Å; P77-A81 WeakPolarHBondContact O-CB 3.03Å; P77-A81 PolarHBondContact O-N 3.3Å; P77-I108 HydrophobicContact CB-CD1 3.66Å; P77-I108 HydrophobicContact CG-CD1 4.48Å; P77-I108 HydrophobicContact CG-CG2 4.39Å
78	A	98.2	Very high	97	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.8	-46.5	171.9	0	0	0	0	0	111.6	G74 V76 A81 R82 V101 A105 A151 T154	G74-A78 WeakPolarHBondContact O-CB 3.48Å; G74-A78 PolarHBondContact O-N 3.5Å; G74-A78 VanDerWaalsContact O-N 3.13Å; V76-A78 PolarHBondContact O-N 2.99Å; A78-A81 PolarHBondContact O-N 3.06Å; A78-R82 VanDerWaalsContact O-CB 3.29Å; A78-R82 WeakPolarHBondContact O-CB 3.49Å; A78-R82 PolarHBondContact O-N 3.32Å; A78-V101 VanDerWaalsContact CA-CG1 3.41Å; A78-V101 HydrophobicContact CB-CG1 3.44Å; A78-V101 VanDerWaalsContact CB-CG1 3.44Å; A78-V101 WeakPolarHBondContact O-CG1 3.46Å; A78-A105 HydrophobicContact CB-CB 4.12Å; A78-A151 HydrophobicContact CB-CB 3.94Å; A78-T154 HydrophobicContact CB-CG2 4.01Å
79	L	97.3	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.1	-38.2	-179.1	-166.5	71.7	0	0	0	112	L25 L26 L29 L75 V76 P77 E83 T154 L158 Q162	L25-L79 HydrophobicContact CD2-CD2 4.35Å; L25-L79 HydrophobicContact CG-CD2 4.16Å; L26-L79 HydrophobicContact CB-CD2 4.12Å; L26-L79 HydrophobicContact CD1-CB 4.15Å; L26-L79 HydrophobicContact CD1-CD2 3.9Å; L26-L79 HydrophobicContact CD1-CG 4.13Å; L29-L79 HydrophobicContact CD1-CD2 3.44Å; L29-L79 VanDerWaalsContact CD1-CD2 3.44Å; L75-L79 WeakPolarHBondContact O-CB 3.46Å; L75-L79 PolarHBondContact O-N 3Å; L75-L79 VanDerWaalsContact O-N 3.08Å; V76-L79 WeakPolarHBondContact O-CB 3.39Å; V76-L79 PolarHBondContact O-N 3.07Å; P77-L79 VanDerWaalsContact C-N 3.34Å; P77-L79 PolarHBondContact O-N 2.7Å; L79-E83 PolarHBondContact O-N 3.37Å; L79-T154 HydrophobicContact CB-CG2 3.89Å; L79-T154 HydrophobicContact CD1-CG2 3.71Å; L79-T154 HydrophobicContact CG-CG2 4.43Å; L79-L158 HydrophobicContact CD1-CB 4.12Å; L79-L158 HydrophobicContact CD1-CD1 4.48Å; L79-L158 HydrophobicContact CD2-CD1 4.48Å; L79-Q162 HydrophobicContact CD1-CB 4.06Å; L79-Q162 HydrophobicContact CD1-CG 3.96Å; L79-Q162 VanDerWaalsContact CG-NE2 3.33Å; L79-Q162 PolarHBondContact O-NE2 3.01Å
80	V	97.4	Very high	96.9	Very high	42 Å²	42	33.8 Å²	33.8	26%	0.255	17%	0.17	S	C	.	.	H	α-helix	trans	-60.5	-53.8	172.1	176.2	0	0	0	0	110.7	L26 V76 P77 R82 E83 I84	L26-V80 HydrophobicContact CD1-CG2 3.6Å; L26-V80 HydrophobicContact CD2-CB 4.43Å; L26-V80 HydrophobicContact CD2-CG2 3.97Å; L26-V80 HydrophobicContact CG-CG2 4.32Å; V76-V80 HydrophobicContact CG1-CG2 4.42Å; V76-V80 WeakPolarHBondContact O-CG2 3.41Å; V76-V80 PolarHBondContact O-N 3.38Å; P77-V80 PolarHBondContact O-N 3.39Å; V80-R82 VanDerWaalsContact C-N 3.26Å; V80-R82 PolarHBondContact O-N 3.36Å; V80-E83 PolarHBondContact O-N 3.09Å; V80-E83 VanDerWaalsContact O-N 3.16Å; V80-I84 HydrophobicContact CG1-CD1 3.79Å; V80-I84 WeakPolarHBondContact O-CG1 3.48Å; V80-I84 PolarHBondContact O-N 2.94Å
81	A	97.8	Very high	96.8	Very high	11 Å²	11	35 Å²	35	9%	0.091	18%	0.178	C	C	.	.	H	α-helix	trans	-58.6	-42.5	-179.2	0	0	0	0	0	110.8	P77 A78 E83 I84 L85 V101 V104	P77-A81 VanDerWaalsContact O-CB 3.3Å; P77-A81 WeakPolarHBondContact O-CB 3.03Å; P77-A81 PolarHBondContact O-N 3.3Å; A78-A81 PolarHBondContact O-N 3.06Å; A81-E83 PolarHBondContact O-N 3.31Å; A81-I84 PolarHBondContact O-N 3.05Å; A81-L85 WeakPolarHBondContact O-CB 3.38Å; A81-L85 WeakPolarHBondContact O-CG 3.48Å; A81-L85 PolarHBondContact O-N 3.01Å; A81-V101 HydrophobicContact CB-CG2 4.23Å; A81-V104 HydrophobicContact CB-CB 4.12Å; A81-V104 HydrophobicContact CB-CG1 3.81Å
82	R	97.3	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-46.8	177.2	-169.5	-177.7	166.8	-66.7	-3.5	111.6	A78 V80 I84 L85 V86 V97 V101 D159 Q162 R163	A78-R82 VanDerWaalsContact O-CB 3.29Å; A78-R82 WeakPolarHBondContact O-CB 3.49Å; A78-R82 PolarHBondContact O-N 3.32Å; V80-R82 VanDerWaalsContact C-N 3.26Å; V80-R82 PolarHBondContact O-N 3.36Å; R82-I84 PolarHBondContact O-N 2.86Å; R82-L85 PolarHBondContact O-N 2.94Å; R82-V86 HydrophobicContact CG-CG2 4.27Å; R82-V86 WeakPolarHBondContact O-CB 3.45Å; R82-V86 VanDerWaalsContact O-CG2 3.26Å; R82-V86 WeakPolarHBondContact O-CG2 3.27Å; R82-V86 PolarHBondContact O-N 3.16Å; R82-V97 HydrophobicContact CG-CG1 3.89Å; R82-V101 HydrophobicContact CB-CG1 4.38Å; R82-V101 HydrophobicContact CB-CG2 3.71Å; R82-V101 HydrophobicContact CG-CG2 4.26Å; R82-D159 IonicContact CZ-OD1 3.3Å; R82-D159 IonicContact NE-OD1 3.5Å; R82-D159 PolarHBondContact NE-OD1 3.48Å; R82-D159 PolarHBondContact NH2-O 3.04Å; R82-D159 IonicContact NH2-OD1 2.85Å; R82-D159 PolarHBondContact NH2-OD1 3.22Å; R82-D159 IonicContact NH2-OD2 3.44Å; R82-Q162 VanDerWaalsContact CD-OE1 3.31Å; R82-R163 VanDerWaalsContact NH2-NE 3.1Å; R82-R163 VanDerWaalsContact NH2-NH2 3.1Å
83	E	96.9	Very high	96.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-46.8	179.5	-165.4	158.1	148	0	0	111.7	L22 T23 L26 L79 V80 A81 R87 Q162 I166	L22-E83 VanDerWaalsContact CA-OE1 3.31Å; L22-E83 WeakPolarHBondContact CA-OE1 3.2Å; T23-E83 WeakPolarHBondContact CB-OE2 3.41Å; T23-E83 VanDerWaalsContact CG2-OE2 3.29Å; T23-E83 WeakPolarHBondContact CG2-OE2 3.48Å; T23-E83 PolarHBondContact N-OE1 2.84Å; T23-E83 PolarHBondContact N-OE2 3.38Å; T23-E83 PolarHBondContact OG1-OE2 3.48Å; L26-E83 HydrophobicContact CD2-CB 4.35Å; L26-E83 WeakPolarHBondContact CD2-OE2 3.44Å; L79-E83 PolarHBondContact O-N 3.37Å; V80-E83 PolarHBondContact O-N 3.09Å; V80-E83 VanDerWaalsContact O-N 3.16Å; A81-E83 PolarHBondContact O-N 3.31Å; E83-R87 VanDerWaalsContact CG-CD 3.44Å; E83-R87 HydrophobicContact CG-CG 4.24Å; E83-R87 VanDerWaalsContact O-CB 3.26Å; E83-R87 WeakPolarHBondContact O-CB 3.26Å; E83-R87 VanDerWaalsContact O-CG 3.31Å; E83-R87 WeakPolarHBondContact O-CG 3.37Å; E83-R87 PolarHBondContact O-N 3.41Å; E83-R87 IonicContact OE1-NH1 3.47Å; E83-R87 PolarHBondContact OE1-NH1 3.01Å; E83-Q162 PolarHBondContact OE2-NE2 3.46Å; E83-Q162 VanDerWaalsContact OE2-NE2 3.1Å; E83-I166 HydrophobicContact CG-CD1 4.05Å; E83-I166 HydrophobicContact CG-CG1 4.16Å
84	I	96.6	Very high	95.9	Very high	73 Å²	73	50.8 Å²	50.8	37%	0.374	25%	0.25	S	C	.	.	H	α-helix	trans	-62.5	-48.2	179	-65.9	170.1	0	0	0	110.9	V80 A81 R82 V86 G88 Y90	V80-I84 HydrophobicContact CG1-CD1 3.79Å; V80-I84 WeakPolarHBondContact O-CG1 3.48Å; V80-I84 PolarHBondContact O-N 2.94Å; A81-I84 PolarHBondContact O-N 3.05Å; R82-I84 PolarHBondContact O-N 2.86Å; I84-V86 PolarHBondContact O-N 3.02Å; I84-G88 WeakPolarHBondContact O-CA 3.35Å; I84-G88 PolarHBondContact O-N 3.43Å; I84-Y90 HydrophobicContact CG2-CD2 4.34Å; I84-Y90 HydrophobicContact CG2-CE2 4.06Å; I84-Y90 WeakPolarHBondContact O-CD2 3.46Å
85	L	96.9	Very high	95.8	Very high	32 Å²	32	59.9 Å²	59.9	17%	0.168	29%	0.289	C	S	.	.	H	α-helix	trans	-65.4	-39.4	-177.7	-69.4	176.2	0	0	0	112.6	A81 R82 M89 Y90 V91 L100 V101	A81-L85 WeakPolarHBondContact O-CB 3.38Å; A81-L85 WeakPolarHBondContact O-CG 3.48Å; A81-L85 PolarHBondContact O-N 3.01Å; R82-L85 PolarHBondContact O-N 2.94Å; L85-M89 PolarHBondContact O-N 3.37Å; L85-Y90 HydrophobicContact CD2-CD2 4.48Å; L85-Y90 PolarHBondContact O-N 3.14Å; L85-Y90 VanDerWaalsContact O-N 3.08Å; L85-V91 HydrophobicContact CD1-CG2 4.47Å; L85-V91 HydrophobicContact CD2-CG2 3.89Å; L85-L100 HydrophobicContact CD1-CB 4.24Å; L85-V101 HydrophobicContact CD1-CG2 4.06Å
86	V	95.2	Very high	95.7	Very high	31 Å²	31	64 Å²	64	19%	0.188	31%	0.309	C	S	.	.	H	α-helix	trans	-74.9	-52.1	-179.6	172.2	0	0	0	0	111.1	R82 I84 G88 M89 V97 I166	R82-V86 HydrophobicContact CG-CG2 4.27Å; R82-V86 WeakPolarHBondContact O-CB 3.45Å; R82-V86 VanDerWaalsContact O-CG2 3.26Å; R82-V86 WeakPolarHBondContact O-CG2 3.27Å; R82-V86 PolarHBondContact O-N 3.16Å; I84-V86 PolarHBondContact O-N 3.02Å; V86-G88 PolarHBondContact O-N 2.96Å; V86-M89 PolarHBondContact O-N 3.01Å; V86-M89 VanDerWaalsContact O-N 3.08Å; V86-V97 HydrophobicContact CG2-CG1 4.03Å; V86-V97 HydrophobicContact CG2-CG2 4.41Å; V86-I166 HydrophobicContact CG1-CD1 4.4Å
87	R	94.8	Very high	95.6	Very high	34 Å²	34	64 Å²	64	13%	0.128	31%	0.309	C	S	.	.	H	α-helix	trans	-68.3	-36.7	-177.3	-68.5	175.4	65.9	-173.1	0.4	112.6	Y20 P21 E83 M89 I166 E170	Y20-R87 WeakPolarHBondContact OH-CB 3.45Å; P21-R87 PolarHBondContact O-NH1 3.1Å; E83-R87 VanDerWaalsContact CG-CD 3.44Å; E83-R87 HydrophobicContact CG-CG 4.24Å; E83-R87 VanDerWaalsContact O-CB 3.26Å; E83-R87 WeakPolarHBondContact O-CB 3.26Å; E83-R87 VanDerWaalsContact O-CG 3.31Å; E83-R87 WeakPolarHBondContact O-CG 3.37Å; E83-R87 PolarHBondContact O-N 3.41Å; E83-R87 IonicContact OE1-NH1 3.47Å; E83-R87 PolarHBondContact OE1-NH1 3.01Å; R87-M89 PolarHBondContact O-N 3.24Å; R87-I166 HydrophobicContact CG-CD1 4.27Å; R87-I166 HydrophobicContact CG-CG1 4.21Å; R87-I166 HydrophobicContact CG-CG2 3.56Å; R87-E170 IonicContact CZ-OE1 2.62Å; R87-E170 IonicContact NE-OE1 2.93Å; R87-E170 PolarHBondContact NE-OE1 3.11Å; R87-E170 IonicContact NH2-OE1 2.75Å; R87-E170 PolarHBondContact NH2-OE1 3.48Å
88	G	94.2	Very high	95.6	Very high	29 Å²	29	64.2 Å²	64.2	30%	0.299	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-4.1	173.6	0	0	0	0	0	114.1	I84 V86 Y90	I84-G88 WeakPolarHBondContact O-CA 3.35Å; I84-G88 PolarHBondContact O-N 3.43Å; V86-G88 PolarHBondContact O-N 2.96Å; G88-Y90 PolarHBondContact O-N 3.44Å; G88-Y90 VanDerWaalsContact O-N 3.07Å
89	M	93.5	Very high	95.6	Very high	142 Å²	142	70.4 Å²	70.4	70%	0.7	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	27.3	-176.6	-61.3	-66.4	-71	0	0	113.3	L85 V86 R87 V91	L85-M89 PolarHBondContact O-N 3.37Å; V86-M89 PolarHBondContact O-N 3.01Å; V86-M89 VanDerWaalsContact O-N 3.08Å; R87-M89 PolarHBondContact O-N 3.24Å; M89-V91 VanDerWaalsContact C-N 3.33Å; M89-V91 PolarHBondContact O-N 3.29Å
90	Y	95.9	Very high	95.6	Very high	168 Å²	168	73.1 Å²	73.1	66%	0.659	36%	0.355	S	S	*	.			trans	-72.6	-27.9	-174.1	-63.6	-57.4	0	0	0	112.6	I84 L85 G88	I84-Y90 HydrophobicContact CG2-CD2 4.34Å; I84-Y90 HydrophobicContact CG2-CE2 4.06Å; I84-Y90 WeakPolarHBondContact O-CD2 3.46Å; L85-Y90 HydrophobicContact CD2-CD2 4.48Å; L85-Y90 PolarHBondContact O-N 3.14Å; L85-Y90 VanDerWaalsContact O-N 3.08Å; G88-Y90 PolarHBondContact O-N 3.44Å; G88-Y90 VanDerWaalsContact O-N 3.07Å
91	V	95	Very high	95.6	Very high	29 Å²	29	71.1 Å²	71.1	18%	0.176	34%	0.342	C	S	.	.	S	Bend	trans	-132	130.2	-177.7	176.7	0	0	0	0	109.4	L85 M89 M96 V97 L100	L85-V91 HydrophobicContact CD1-CG2 4.47Å; L85-V91 HydrophobicContact CD2-CG2 3.89Å; M89-V91 VanDerWaalsContact C-N 3.33Å; M89-V91 PolarHBondContact O-N 3.29Å; V91-M96 HydrophobicContact CG1-CB 3.87Å; V91-M96 HydrophobicContact CG1-CG 3.5Å; V91-V97 HydrophobicContact CB-CG2 3.96Å; V91-V97 HydrophobicContact CG1-CG2 3.73Å; V91-L100 HydrophobicContact CB-CD1 4.4Å; V91-L100 HydrophobicContact CG1-CD1 3.97Å; V91-L100 HydrophobicContact CG2-CD1 3.54Å
92	R	89.5	Confident	95.7	Very high	227 Å²	227	71.4 Å²	71.4	86%	0.857	34%	0.344	S	S	*	.			trans	-96.5	133.9	177.2	-64.4	-178.1	179.8	164.9	0.2	110.4
93	G	93.1	Very high	95.7	Very high	50 Å²	50	74 Å²	74	52%	0.515	36%	0.361	S	S	.	.	S	Bend	trans	96.6	130.9	173.3	0	0	0	0	0	114.1	K95 M96 V97	G93-K95 VanDerWaalsContact C-N 3.32Å; G93-K95 PolarHBondContact O-N 2.88Å; G93-M96 PolarHBondContact O-N 2.94Å; G93-V97 WeakPolarHBondContact O-CG2 3.29Å; G93-V97 PolarHBondContact O-N 3.02Å; G93-V97 VanDerWaalsContact O-N 3.07Å
94	R	92.9	Very high	95.8	Very high	161 Å²	161	76.7 Å²	76.7	61%	0.608	38%	0.377	S	S	*	.	H	α-helix	trans	-57.7	-41.2	-175	-60.6	180	66.1	-166.9	0.9	112.9	A98 D159	R94-A98 WeakPolarHBondContact O-CB 3.37Å; R94-A98 PolarHBondContact O-N 2.85Å; R94-D159 IonicContact CZ-OD2 3.67Å; R94-D159 IonicContact NE-OD2 3.74Å; R94-D159 IonicContact NH2-OD2 2.69Å; R94-D159 PolarHBondContact NH2-OD2 3.08Å
95	K	94.9	Very high	95.8	Very high	191 Å²	191	73.2 Å²	73.2	83%	0.83	36%	0.359	S	S	*	.	H	α-helix	trans	-66.3	-41.4	-179.3	-63.4	-175.6	-180	-178.2	0	112.5	G93 A98 F99	G93-K95 VanDerWaalsContact C-N 3.32Å; G93-K95 PolarHBondContact O-N 2.88Å; K95-A98 PolarHBondContact O-N 3.3Å; K95-F99 WeakPolarHBondContact O-CB 3.48Å; K95-F99 PolarHBondContact O-N 2.94Å
96	M	97.1	Very high	95.9	Very high	96 Å²	96	74.5 Å²	74.5	47%	0.473	37%	0.366	S	S	.	.	H	α-helix	trans	-70.4	-41	179.5	-174.7	58.6	74	0	0	111.2	V91 G93 A98 F99 L100	V91-M96 HydrophobicContact CG1-CB 3.87Å; V91-M96 HydrophobicContact CG1-CG 3.5Å; G93-M96 PolarHBondContact O-N 2.94Å; M96-A98 VanDerWaalsContact C-N 3.35Å; M96-A98 PolarHBondContact O-N 3.29Å; M96-F99 PolarHBondContact O-N 3.44Å; M96-F99 HydrophobicContact SD-CD1 4.08Å; M96-L100 HydrophobicContact CG-CD1 4.06Å; M96-L100 HydrophobicContact CG-CG 4.45Å; M96-L100 WeakPolarHBondContact O-CG 3.25Å; M96-L100 PolarHBondContact O-N 3.4Å; M96-L100 HydrophobicContact SD-CD1 4.26Å; M96-L100 HydrophobicContact SD-CG 4.17Å
97	V	96.5	Very high	96	Very high	6 Å²	6	75.9 Å²	75.9	4%	0.036	38%	0.381	C	S	.	.	H	α-helix	trans	-56.9	-50.5	171.8	173.5	0	0	0	0	110.1	R82 V86 V91 G93 F99 L100 V101	R82-V97 HydrophobicContact CG-CG1 3.89Å; V86-V97 HydrophobicContact CG2-CG1 4.03Å; V86-V97 HydrophobicContact CG2-CG2 4.41Å; V91-V97 HydrophobicContact CB-CG2 3.96Å; V91-V97 HydrophobicContact CG1-CG2 3.73Å; G93-V97 WeakPolarHBondContact O-CG2 3.29Å; G93-V97 PolarHBondContact O-N 3.02Å; G93-V97 VanDerWaalsContact O-N 3.07Å; V97-F99 VanDerWaalsContact C-N 3.34Å; V97-F99 PolarHBondContact O-N 3.08Å; V97-L100 PolarHBondContact O-N 3.5Å; V97-V101 HydrophobicContact CG1-CG2 3.99Å; V97-V101 VanDerWaalsContact O-CB 3.26Å; V97-V101 WeakPolarHBondContact O-CB 3.47Å; V97-V101 WeakPolarHBondContact O-CG2 3.03Å; V97-V101 PolarHBondContact O-N 3.14Å
98	A	96.9	Very high	96.1	Very high	26 Å²	26	77.1 Å²	77.1	22%	0.215	39%	0.389	C	S	.	.	H	α-helix	trans	-58	-44.7	179.9	0	0	0	0	0	112.9	R94 K95 M96 C102 Q155	R94-A98 WeakPolarHBondContact O-CB 3.37Å; R94-A98 PolarHBondContact O-N 2.85Å; K95-A98 PolarHBondContact O-N 3.3Å; M96-A98 VanDerWaalsContact C-N 3.35Å; M96-A98 PolarHBondContact O-N 3.29Å; A98-C102 PolarHBondContact O-N 3.32Å; A98-C102 VanDerWaalsContact O-N 3.12Å; A98-C102 PolarHBondContact O-SG 3.14Å; A98-Q155 HydrophobicContact CB-CB 4.34Å; A98-Q155 HydrophobicContact CB-CG 3.87Å
99	F	97.7	Very high	96.2	Very high	130 Å²	130	75.8 Å²	75.8	57%	0.57	38%	0.375	S	S	*	.	H	α-helix	trans	-59.4	-53.9	176	172.5	-106	0	0	0	112	K95 M96 V97 V101 C102 C103	K95-F99 WeakPolarHBondContact O-CB 3.48Å; K95-F99 PolarHBondContact O-N 2.94Å; M96-F99 PolarHBondContact O-N 3.44Å; M96-F99 HydrophobicContact SD-CD1 4.08Å; V97-F99 VanDerWaalsContact C-N 3.34Å; V97-F99 PolarHBondContact O-N 3.08Å; F99-V101 VanDerWaalsContact C-N 3.3Å; F99-V101 PolarHBondContact O-N 2.87Å; F99-C102 PolarHBondContact O-N 2.82Å; F99-C103 PolarHBondContact O-N 3.47Å; F99-C103 PolarHBondContact O-SG 3.07Å; F99-C103 VanDerWaalsContact O-SG 3.36Å
100	L	98	Very high	96.4	Very high	58 Å²	58	70.6 Å²	70.6	30%	0.304	36%	0.355	S	S	.	.	H	α-helix	trans	-64.3	-36.9	-177.7	-70.5	175	0	0	0	112.3	L85 V91 M96 V97 C102 C103 V104	L85-L100 HydrophobicContact CD1-CB 4.24Å; V91-L100 HydrophobicContact CB-CD1 4.4Å; V91-L100 HydrophobicContact CG1-CD1 3.97Å; V91-L100 HydrophobicContact CG2-CD1 3.54Å; M96-L100 HydrophobicContact CG-CD1 4.06Å; M96-L100 HydrophobicContact CG-CG 4.45Å; M96-L100 WeakPolarHBondContact O-CG 3.25Å; M96-L100 PolarHBondContact O-N 3.4Å; M96-L100 HydrophobicContact SD-CD1 4.26Å; M96-L100 HydrophobicContact SD-CG 4.17Å; V97-L100 PolarHBondContact O-N 3.5Å; L100-C102 VanDerWaalsContact C-N 3.34Å; L100-C103 WeakPolarHBondContact O-CB 3.39Å; L100-C103 PolarHBondContact O-N 3.08Å; L100-V104 WeakPolarHBondContact O-CG2 3.46Å; L100-V104 PolarHBondContact O-N 3.48Å
101	V	97.8	Very high	96.4	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.9	-43.1	175.9	167.7	0	0	0	0	111.3	A78 A81 R82 L85 V97 F99 C103 V104 A105	A78-V101 VanDerWaalsContact CA-CG1 3.41Å; A78-V101 HydrophobicContact CB-CG1 3.44Å; A78-V101 VanDerWaalsContact CB-CG1 3.44Å; A78-V101 WeakPolarHBondContact O-CG1 3.46Å; A81-V101 HydrophobicContact CB-CG2 4.23Å; R82-V101 HydrophobicContact CB-CG1 4.38Å; R82-V101 HydrophobicContact CB-CG2 3.71Å; R82-V101 HydrophobicContact CG-CG2 4.26Å; L85-V101 HydrophobicContact CD1-CG2 4.06Å; V97-V101 HydrophobicContact CG1-CG2 3.99Å; V97-V101 VanDerWaalsContact O-CB 3.26Å; V97-V101 WeakPolarHBondContact O-CB 3.47Å; V97-V101 WeakPolarHBondContact O-CG2 3.03Å; V97-V101 PolarHBondContact O-N 3.14Å; F99-V101 VanDerWaalsContact C-N 3.3Å; F99-V101 PolarHBondContact O-N 2.87Å; V101-C103 VanDerWaalsContact C-N 3.35Å; V101-V104 PolarHBondContact O-N 3.48Å; V101-A105 PolarHBondContact O-N 2.92Å
102	C	98.2	Very high	96.3	Very high	17 Å²	17	68 Å²	68	12%	0.115	35%	0.347	C	S	.	.	H	α-helix	trans	-64	-40.8	174.3	-63.4	0	0	0	0	111.5	A98 F99 L100 V104 A105 L106 L148 A151	A98-C102 PolarHBondContact O-N 3.32Å; A98-C102 VanDerWaalsContact O-N 3.12Å; A98-C102 PolarHBondContact O-SG 3.14Å; F99-C102 PolarHBondContact O-N 2.82Å; L100-C102 VanDerWaalsContact C-N 3.34Å; C102-V104 PolarHBondContact O-N 3.26Å; C102-A105 PolarHBondContact O-N 2.88Å; C102-L106 WeakPolarHBondContact O-CB 3.32Å; C102-L106 PolarHBondContact O-N 3.29Å; C102-L148 HydrophobicContact CB-CD1 4.39Å; C102-A151 HydrophobicContact CB-CB 4.47Å
103	C	98.3	Very high	96.5	Very high	53 Å²	53	57.8 Å²	57.8	36%	0.358	31%	0.309	S	S	.	.	H	α-helix	trans	-60.9	-42.7	174.8	-65.8	0	0	0	0	112.4	F99 L100 V101 L106 A107	F99-C103 PolarHBondContact O-N 3.47Å; F99-C103 PolarHBondContact O-SG 3.07Å; F99-C103 VanDerWaalsContact O-SG 3.36Å; L100-C103 WeakPolarHBondContact O-CB 3.39Å; L100-C103 PolarHBondContact O-N 3.08Å; V101-C103 VanDerWaalsContact C-N 3.35Å; C103-L106 PolarHBondContact O-N 2.83Å; C103-A107 VanDerWaalsContact O-CB 3.31Å; C103-A107 WeakPolarHBondContact O-CB 3.41Å; C103-A107 PolarHBondContact O-N 2.81Å
104	V	98.1	Very high	96.5	Very high	58 Å²	58	60.4 Å²	60.4	35%	0.352	31%	0.311	S	S	.	.	H	α-helix	trans	-64.8	-45.4	178.1	170.2	0	0	0	0	110.9	A81 L100 V101 C102 L106 A107 I108	A81-V104 HydrophobicContact CB-CB 4.12Å; A81-V104 HydrophobicContact CB-CG1 3.81Å; L100-V104 WeakPolarHBondContact O-CG2 3.46Å; L100-V104 PolarHBondContact O-N 3.48Å; V101-V104 PolarHBondContact O-N 3.48Å; C102-V104 PolarHBondContact O-N 3.26Å; V104-L106 PolarHBondContact O-N 3.02Å; V104-A107 PolarHBondContact O-N 2.88Å; V104-I108 HydrophobicContact CG1-CD1 3.83Å; V104-I108 WeakPolarHBondContact O-CG1 3.48Å; V104-I108 PolarHBondContact O-N 3.28Å
105	A	98.2	Very high	96.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-44.9	177.4	0	0	0	0	0	111.9	A78 V101 C102 I108 S109 A151	A78-A105 HydrophobicContact CB-CB 4.12Å; V101-A105 PolarHBondContact O-N 2.92Å; C102-A105 PolarHBondContact O-N 2.88Å; A105-I108 PolarHBondContact O-N 3.43Å; A105-S109 PolarHBondContact O-N 3.27Å; A105-A151 HydrophobicContact CB-CB 3.65Å
106	L	98	Very high	96.2	Very high	58 Å²	58	48.5 Å²	48.5	30%	0.304	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-42.1	174	-83.5	178.3	0	0	0	112.7	C102 C103 V104 I108 S109 A110 M144 L148	C102-L106 WeakPolarHBondContact O-CB 3.32Å; C102-L106 PolarHBondContact O-N 3.29Å; C103-L106 PolarHBondContact O-N 2.83Å; V104-L106 PolarHBondContact O-N 3.02Å; L106-I108 VanDerWaalsContact C-N 3.34Å; L106-I108 PolarHBondContact O-N 2.89Å; L106-S109 PolarHBondContact O-N 3.39Å; L106-A110 WeakPolarHBondContact O-CB 3.47Å; L106-A110 PolarHBondContact O-N 3.32Å; L106-M144 WeakPolarHBondContact CD2-O 3.41Å; L106-L148 HydrophobicContact CD1-CD1 3.98Å; L106-L148 HydrophobicContact CD2-CB 3.96Å; L106-L148 HydrophobicContact CG-CB 4.43Å; L106-L148 HydrophobicContact CG-CD1 4.22Å
107	A	98.2	Very high	95.9	Very high	60 Å²	60	50.2 Å²	50.2	50%	0.496	27%	0.268	S	S	.	.	H	α-helix	trans	-63.9	-40.1	178.3	0	0	0	0	0	111.8	C103 V104 M111	C103-A107 VanDerWaalsContact O-CB 3.31Å; C103-A107 WeakPolarHBondContact O-CB 3.41Å; C103-A107 PolarHBondContact O-N 2.81Å; V104-A107 PolarHBondContact O-N 2.88Å; A107-M111 VanDerWaalsContact O-CB 3.3Å; A107-M111 WeakPolarHBondContact O-CB 3.43Å; A107-M111 PolarHBondContact O-N 3.43Å
108	I	96.5	Very high	95.5	Very high	61 Å²	61	58.5 Å²	58.5	31%	0.313	30%	0.298	S	S	.	.	H	α-helix	trans	-64.6	-44.4	174.3	-70.9	168.5	0	0	0	110.4	P77 V104 A105 L106 M111 Y112	P77-I108 HydrophobicContact CB-CD1 3.66Å; P77-I108 HydrophobicContact CG-CD1 4.48Å; P77-I108 HydrophobicContact CG-CG2 4.39Å; V104-I108 HydrophobicContact CG1-CD1 3.83Å; V104-I108 WeakPolarHBondContact O-CG1 3.48Å; V104-I108 PolarHBondContact O-N 3.28Å; A105-I108 PolarHBondContact O-N 3.43Å; L106-I108 VanDerWaalsContact C-N 3.34Å; L106-I108 PolarHBondContact O-N 2.89Å; I108-M111 PolarHBondContact O-N 2.98Å; I108-Y112 PolarHBondContact O-N 3.09Å
109	S	96.3	Very high	95.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.7	-50	177.3	-162.6	0	0	0	0	111.6	Q73 A105 L106 M111 Y112 E113 A147	Q73-S109 PolarHBondContact NE2-OG 2.97Å; A105-S109 PolarHBondContact O-N 3.27Å; L106-S109 PolarHBondContact O-N 3.39Å; S109-M111 VanDerWaalsContact C-N 3.26Å; S109-M111 PolarHBondContact O-N 3.01Å; S109-Y112 WeakPolarHBondContact O-CB 3.38Å; S109-Y112 PolarHBondContact O-N 2.91Å; S109-Y112 VanDerWaalsContact O-N 3.07Å; S109-E113 WeakPolarHBondContact O-CG 3.41Å; S109-E113 PolarHBondContact O-N 3.36Å; S109-E113 VanDerWaalsContact O-N 3.11Å; S109-A147 WeakPolarHBondContact OG-CB 3.48Å
110	A	96.9	Very high	94.6	Very high	33 Å²	33	52.3 Å²	52.3	27%	0.273	27%	0.271	S	S	.	.	H	α-helix	trans	-59.4	-38	177.6	0	0	0	0	0	112.1	L106 L114 M144	L106-A110 WeakPolarHBondContact O-CB 3.47Å; L106-A110 PolarHBondContact O-N 3.32Å; A110-L114 VanDerWaalsContact O-CG 3.23Å; A110-L114 WeakPolarHBondContact O-CG 3.47Å; A110-L114 PolarHBondContact O-N 3.46Å; A110-M144 HydrophobicContact CB-SD 3.85Å
111	M	96.1	Very high	94.1	Very high	110 Å²	110	54.7 Å²	54.7	54%	0.542	28%	0.284	S	S	.	.	H	α-helix	trans	-64.4	-39.7	175.6	-176.9	-178.9	69	0	0	112	A107 I108 S109 L114 I115	A107-M111 VanDerWaalsContact O-CB 3.3Å; A107-M111 WeakPolarHBondContact O-CB 3.43Å; A107-M111 PolarHBondContact O-N 3.43Å; I108-M111 PolarHBondContact O-N 2.98Å; S109-M111 VanDerWaalsContact C-N 3.26Å; S109-M111 PolarHBondContact O-N 3.01Å; M111-L114 PolarHBondContact O-N 3.38Å; M111-I115 HydrophobicContact CG-CD1 4.22Å; M111-I115 WeakPolarHBondContact O-CG1 3.23Å; M111-I115 PolarHBondContact O-N 3.24Å; M111-I115 VanDerWaalsContact O-N 3.09Å
112	Y	93.5	Very high	93.6	Very high	34 Å²	34	59 Å²	59	13%	0.133	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-49.5	177	-167.6	-98.2	0	0	0	111.3	P5 I108 S109 L114 I115 E116	P5-Y112 HydrophobicContact CG-CE2 4.14Å; I108-Y112 PolarHBondContact O-N 3.09Å; S109-Y112 WeakPolarHBondContact O-CB 3.38Å; S109-Y112 PolarHBondContact O-N 2.91Å; S109-Y112 VanDerWaalsContact O-N 3.07Å; Y112-L114 VanDerWaalsContact C-N 3.28Å; Y112-L114 PolarHBondContact O-N 3.05Å; Y112-I115 WeakPolarHBondContact O-CA 3.3Å; Y112-I115 WeakPolarHBondContact O-CB 3.49Å; Y112-I115 PolarHBondContact O-N 3.29Å; Y112-E116 HydrophobicContact CD1-CG 4.19Å; Y112-E116 HydrophobicContact CE1-CG 3.96Å; Y112-E116 WeakPolarHBondContact CE1-OE1 3.44Å; Y112-E116 PolarHBondContact O-N 2.89Å
113	E	93.1	Very high	92.9	Very high	12 Å²	12	62.6 Å²	62.6	6%	0.056	34%	0.336	C	S	.	.	H	α-helix	trans	-56.8	-40.9	176.2	-62.8	-66	152.2	0	0	112.4	H70 S109 I115 E116 W117 T140 D143 M144	H70-E113 IonicContact CE1-OE1 3.45Å; H70-E113 PolarHBondContact CE1-OE1 3Å; H70-E113 IonicContact ND1-OE1 3.47Å; H70-E113 IonicContact NE2-OE1 3.61Å; S109-E113 WeakPolarHBondContact O-CG 3.41Å; S109-E113 PolarHBondContact O-N 3.36Å; S109-E113 VanDerWaalsContact O-N 3.11Å; E113-I115 VanDerWaalsContact C-N 3.33Å; E113-I115 PolarHBondContact O-N 3.47Å; E113-E116 PolarHBondContact O-N 3.11Å; E113-W117 VanDerWaalsContact O-CB 3.32Å; E113-W117 WeakPolarHBondContact O-CB 3.36Å; E113-W117 PolarHBondContact O-N 2.99Å; E113-T140 HydrophobicContact CB-CG2 3.85Å; E113-T140 HydrophobicContact CG-CG2 3.81Å; E113-T140 WeakPolarHBondContact OE2-CA 3.41Å; E113-T140 VanDerWaalsContact OE2-CB 3.26Å; E113-T140 WeakPolarHBondContact OE2-CB 3.48Å; E113-T140 VanDerWaalsContact OE2-CG2 3.27Å; E113-T140 WeakPolarHBondContact OE2-CG2 3.4Å; E113-T140 PolarHBondContact OE2-OG1 2.62Å; E113-D143 VanDerWaalsContact OE1-CB 3.29Å; E113-D143 WeakPolarHBondContact OE1-CB 3.3Å; E113-M144 HydrophobicContact CG-CG 4.17Å
114	L	93.7	Very high	91.9	Very high	104 Å²	104	62.4 Å²	62.4	55%	0.545	34%	0.343	S	S	.	.	H	α-helix	trans	-65.6	-35.9	176.7	-71.7	171.9	0	0	0	112.2	A110 M111 Y112 W117 W118	A110-L114 VanDerWaalsContact O-CG 3.23Å; A110-L114 WeakPolarHBondContact O-CG 3.47Å; A110-L114 PolarHBondContact O-N 3.46Å; M111-L114 PolarHBondContact O-N 3.38Å; Y112-L114 VanDerWaalsContact C-N 3.28Å; Y112-L114 PolarHBondContact O-N 3.05Å; L114-W117 HydrophobicContact CD2-CE3 4.36Å; L114-W118 WeakPolarHBondContact O-CB 3.3Å; L114-W118 PolarHBondContact O-N 3.14Å
115	I	92.4	Very high	90.4	Very high	76 Å²	76	68.7 Å²	68.7	39%	0.39	37%	0.368	S	S	.	.	H	α-helix	trans	-67.3	-43.7	175.7	-69.4	164.7	0	0	0	110.2	M1 M111 Y112 E113 W118 A119	M1-I115 HydrophobicContact CE-CG2 4.04Å; M111-I115 HydrophobicContact CG-CD1 4.22Å; M111-I115 WeakPolarHBondContact O-CG1 3.23Å; M111-I115 PolarHBondContact O-N 3.24Å; M111-I115 VanDerWaalsContact O-N 3.09Å; Y112-I115 WeakPolarHBondContact O-CA 3.3Å; Y112-I115 WeakPolarHBondContact O-CB 3.49Å; Y112-I115 PolarHBondContact O-N 3.29Å; E113-I115 VanDerWaalsContact C-N 3.33Å; E113-I115 PolarHBondContact O-N 3.47Å; I115-W118 PolarHBondContact O-N 3.35Å; I115-A119 WeakPolarHBondContact O-CB 3.46Å; I115-A119 PolarHBondContact O-N 3.47Å
116	E	89.6	Confident	89.1	Confident	27 Å²	27	70.8 Å²	70.8	13%	0.126	39%	0.389	C	S	.	.	H	α-helix	trans	-64.7	-45.2	178	-69.2	-167.5	141.5	0	0	111.8	Y112 E113 W118 A119 A120 L131	Y112-E116 HydrophobicContact CD1-CG 4.19Å; Y112-E116 HydrophobicContact CE1-CG 3.96Å; Y112-E116 WeakPolarHBondContact CE1-OE1 3.44Å; Y112-E116 PolarHBondContact O-N 2.89Å; E113-E116 PolarHBondContact O-N 3.11Å; E116-W118 VanDerWaalsContact C-N 3.33Å; E116-W118 PolarHBondContact O-N 3.02Å; E116-A119 PolarHBondContact O-N 3.32Å; E116-A119 VanDerWaalsContact O-N 3.14Å; E116-A120 WeakPolarHBondContact O-CB 3.48Å; E116-A120 PolarHBondContact O-N 2.88Å; E116-L131 HydrophobicContact CB-CD2 3.97Å
117	W	89.2	Confident	87.6	Confident	132 Å²	132	68.9 Å²	68.9	50%	0.5	38%	0.382	S	S	.	.	H	α-helix	trans	-56.5	-45.4	173.3	173.5	65.6	0	0	0	112.1	E113 L114 A120 L121	E113-W117 VanDerWaalsContact O-CB 3.32Å; E113-W117 WeakPolarHBondContact O-CB 3.36Å; E113-W117 PolarHBondContact O-N 2.99Å; L114-W117 HydrophobicContact CD2-CE3 4.36Å; W117-A120 PolarHBondContact O-N 3.42Å; W117-L121 HydrophobicContact CD2-CD1 4.13Å; W117-L121 HydrophobicContact CH2-CD1 4.04Å; W117-L121 HydrophobicContact CZ2-CD1 3.5Å; W117-L121 WeakPolarHBondContact O-CG 3.43Å; W117-L121 PolarHBondContact O-N 2.89Å
118	W	89.8	Confident	86.1	Confident	179 Å²	179	71.7 Å²	71.7	68%	0.678	39%	0.389	S	S	*	.	H	α-helix	trans	-63.9	-40.4	174.7	-89	8	0	0	0	113.3	L114 I115 E116 L121 A122	L114-W118 WeakPolarHBondContact O-CB 3.3Å; L114-W118 PolarHBondContact O-N 3.14Å; I115-W118 PolarHBondContact O-N 3.35Å; E116-W118 VanDerWaalsContact C-N 3.33Å; E116-W118 PolarHBondContact O-N 3.02Å; W118-L121 PolarHBondContact O-N 3.4Å; W118-A122 PolarHBondContact O-N 3.39Å
119	A	87.6	Confident	84.7	Confident	20 Å²	20	75.5 Å²	75.5	17%	0.165	41%	0.41	C	S	.	.	H	α-helix	trans	-63.6	-42.7	176.8	0	0	0	0	0	111.4	I115 E116 A122 M123 F130	I115-A119 WeakPolarHBondContact O-CB 3.46Å; I115-A119 PolarHBondContact O-N 3.47Å; E116-A119 PolarHBondContact O-N 3.32Å; E116-A119 VanDerWaalsContact O-N 3.14Å; A119-A122 PolarHBondContact O-N 2.84Å; A119-A122 VanDerWaalsContact O-N 3.16Å; A119-M123 VanDerWaalsContact C-CE 3.48Å; A119-M123 HydrophobicContact CB-CE 3.92Å; A119-M123 WeakPolarHBondContact O-CE 3.29Å; A119-M123 PolarHBondContact O-N 3.32Å; A119-F130 HydrophobicContact CB-CE1 3.62Å; A119-F130 HydrophobicContact CB-CZ 3.96Å
120	A	86.4	Confident	83.4	Confident	6 Å²	6	77.8 Å²	77.8	5%	0.05	42%	0.42	C	S	.	.	H	α-helix	trans	-59.9	-46.1	175.8	0	0	0	0	0	112	E116 W117 A122 M123 G124 A127 F130 L131	E116-A120 WeakPolarHBondContact O-CB 3.48Å; E116-A120 PolarHBondContact O-N 2.88Å; W117-A120 PolarHBondContact O-N 3.42Å; A120-A122 VanDerWaalsContact C-N 3.28Å; A120-A122 PolarHBondContact O-N 2.9Å; A120-M123 PolarHBondContact O-N 3.46Å; A120-G124 PolarHBondContact O-N 3.22Å; A120-G124 VanDerWaalsContact O-N 3.17Å; A120-A127 HydrophobicContact CB-CB 3.97Å; A120-F130 HydrophobicContact CB-CD1 4.46Å; A120-L131 HydrophobicContact CB-CD1 3.78Å; A120-L131 HydrophobicContact CB-CD2 3.72Å; A120-L131 HydrophobicContact CB-CG 3.64Å
121	L	87.8	Confident	82.2	Confident	109 Å²	109	78.3 Å²	78.3	57%	0.571	42%	0.418	S	S	*	.	H	α-helix	trans	-59.7	-37.6	174.1	-72.8	179.1	0	0	0	112.8	W117 W118	W117-L121 HydrophobicContact CD2-CD1 4.13Å; W117-L121 HydrophobicContact CH2-CD1 4.04Å; W117-L121 HydrophobicContact CZ2-CD1 3.5Å; W117-L121 WeakPolarHBondContact O-CG 3.43Å; W117-L121 PolarHBondContact O-N 2.89Å; W118-L121 PolarHBondContact O-N 3.4Å
122	A	88.1	Confident	81	Confident	89 Å²	89	73.8 Å²	73.8	74%	0.736	40%	0.4	S	S	*	.	H	α-helix	trans	-72.7	-32.3	180	0	0	0	0	0	113.2	W118 A119 A120	W118-A122 PolarHBondContact O-N 3.39Å; A119-A122 PolarHBondContact O-N 2.84Å; A119-A122 VanDerWaalsContact O-N 3.16Å; A120-A122 VanDerWaalsContact C-N 3.28Å; A120-A122 PolarHBondContact O-N 2.9Å
123	M	84.1	Confident	80.2	Confident	94 Å²	94	73.4 Å²	73.4	46%	0.463	40%	0.401	S	S	.	.	H	α-helix	trans	-78.2	-28.5	178.3	-80.3	177.3	-83.3	0	0	113.3	A119 A120 Q125 F130	A119-M123 VanDerWaalsContact C-CE 3.48Å; A119-M123 HydrophobicContact CB-CE 3.92Å; A119-M123 WeakPolarHBondContact O-CE 3.29Å; A119-M123 PolarHBondContact O-N 3.32Å; A120-M123 PolarHBondContact O-N 3.46Å; M123-Q125 PolarHBondContact O-N 3.35Å; M123-F130 HydrophobicContact CE-CB 4.09Å; M123-F130 HydrophobicContact CE-CD1 3.31Å; M123-F130 HydrophobicContact CE-CD2 3.4Å; M123-F130 VanDerWaalsContact CE-CD2 3.4Å; M123-F130 HydrophobicContact CE-CE1 3.5Å; M123-F130 HydrophobicContact CE-CE2 3.59Å; M123-F130 HydrophobicContact CE-CG 3.26Å; M123-F130 HydrophobicContact CE-CZ 3.64Å; M123-F130 HydrophobicContact SD-CB 4.44Å; M123-F130 HydrophobicContact SD-CD2 3.88Å; M123-F130 HydrophobicContact SD-CE2 4.36Å; M123-F130 HydrophobicContact SD-CG 4.02Å
124	G	77.4	Confident	79.6	Confident	49 Å²	49	76.2 Å²	76.2	51%	0.505	41%	0.414	S	S	.	.			trans	71.1	-94.4	-179.9	0	0	0	0	0	112.2	A120 A127	A120-G124 PolarHBondContact O-N 3.22Å; A120-G124 VanDerWaalsContact O-N 3.17Å; G124-A127 WeakPolarHBondContact O-CB 3.29Å
125	Q	66.5	Low	79	Confident	190 Å²	190	74.9 Å²	74.9	89%	0.888	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	135.5	178.9	-69.9	-93.9	-25.8	0	0	110.2	M123	M123-Q125 PolarHBondContact O-N 3.35Å
126	G	69.1	Low	78.6	Confident	43 Å²	43	73.6 Å²	73.6	44%	0.443	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	9	-175.5	0	0	0	0	0	114.5	D128 D129 F130	G126-D128 VanDerWaalsContact C-N 3.29Å; G126-D128 PolarHBondContact O-N 3.01Å; G126-D129 PolarHBondContact O-N 2.95Å; G126-F130 WeakPolarHBondContact O-CB 3.32Å; G126-F130 PolarHBondContact O-N 3.05Å
127	A	68	Low	78.4	Confident	19 Å²	19	79.9 Å²	79.9	16%	0.157	45%	0.449	C	S	.	.	H	α-helix	trans	-54.7	-42	175.4	0	0	0	0	0	112.8	A120 G124 F130 L131	A120-A127 HydrophobicContact CB-CB 3.97Å; G124-A127 WeakPolarHBondContact O-CB 3.29Å; A127-F130 PolarHBondContact O-N 3.19Å; A127-L131 WeakPolarHBondContact O-CB 3.36Å; A127-L131 VanDerWaalsContact O-CG 3.29Å; A127-L131 WeakPolarHBondContact O-CG 3.44Å; A127-L131 PolarHBondContact O-N 3.29Å
128	D	65.4	Low	78.4	Confident	118 Å²	118	80.9 Å²	80.9	63%	0.631	45%	0.452	S	S	*	.	H	α-helix	trans	-66.4	-40.5	-179.1	-62.4	-26.2	0	0	0	112.3	G126 F130 G132	G126-D128 VanDerWaalsContact C-N 3.29Å; G126-D128 PolarHBondContact O-N 3.01Å; D128-F130 VanDerWaalsContact C-N 3.33Å; D128-G132 PolarHBondContact O-N 3.49Å
129	D	68.1	Low	78.5	Confident	141 Å²	141	72.7 Å²	72.7	75%	0.754	42%	0.422	S	S	*	.	H	α-helix	trans	-67.1	-37.3	175.5	-76	-17.5	0	0	0	111	G126 G132	G126-D129 PolarHBondContact O-N 2.95Å; D129-G132 PolarHBondContact O-N 3.39Å
130	F	68.5	Low	78.7	Confident	48 Å²	48	74.2 Å²	74.2	21%	0.211	43%	0.429	C	S	.	.	H	α-helix	trans	-69	-42.6	177	177.2	-94.8	0	0	0	112.4	M1 A119 A120 M123 G126 A127 D128 G132	M1-F130 HydrophobicContact CB-CE2 4.35Å; M1-F130 HydrophobicContact CB-CZ 4.04Å; M1-F130 HydrophobicContact CG-CE2 4.02Å; M1-F130 HydrophobicContact CG-CZ 3.76Å; A119-F130 HydrophobicContact CB-CE1 3.62Å; A119-F130 HydrophobicContact CB-CZ 3.96Å; A120-F130 HydrophobicContact CB-CD1 4.46Å; M123-F130 HydrophobicContact CE-CB 4.09Å; M123-F130 HydrophobicContact CE-CD1 3.31Å; M123-F130 HydrophobicContact CE-CD2 3.4Å; M123-F130 VanDerWaalsContact CE-CD2 3.4Å; M123-F130 HydrophobicContact CE-CE1 3.5Å; M123-F130 HydrophobicContact CE-CE2 3.59Å; M123-F130 HydrophobicContact CE-CG 3.26Å; M123-F130 HydrophobicContact CE-CZ 3.64Å; M123-F130 HydrophobicContact SD-CB 4.44Å; M123-F130 HydrophobicContact SD-CD2 3.88Å; M123-F130 HydrophobicContact SD-CE2 4.36Å; M123-F130 HydrophobicContact SD-CG 4.02Å; G126-F130 WeakPolarHBondContact O-CB 3.32Å; G126-F130 PolarHBondContact O-N 3.05Å; A127-F130 PolarHBondContact O-N 3.19Å; D128-F130 VanDerWaalsContact C-N 3.33Å; F130-G132 PolarHBondContact O-N 3.43Å
131	L	71.4	Confident	79.1	Confident	44 Å²	44	78.3 Å²	78.3	23%	0.23	45%	0.447	C	S	.	.	H	α-helix	trans	-69.4	-15.6	177.9	-72.3	173.8	0	0	0	112.7	E116 A120 A127 T133	E116-L131 HydrophobicContact CB-CD2 3.97Å; A120-L131 HydrophobicContact CB-CD1 3.78Å; A120-L131 HydrophobicContact CB-CD2 3.72Å; A120-L131 HydrophobicContact CB-CG 3.64Å; A127-L131 WeakPolarHBondContact O-CB 3.36Å; A127-L131 VanDerWaalsContact O-CG 3.29Å; A127-L131 WeakPolarHBondContact O-CG 3.44Å; A127-L131 PolarHBondContact O-N 3.29Å; L131-T133 HydrophobicContact CB-CG2 3.67Å; L131-T133 HydrophobicContact CD1-CG2 4.41Å; L131-T133 PolarHBondContact O-N 2.98Å
132	G	72	Confident	79.4	Confident	16 Å²	16	74.7 Å²	74.7	17%	0.165	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	12.5	178.2	0	0	0	0	0	114.5	D128 D129 F130 Q134	D128-G132 PolarHBondContact O-N 3.49Å; D129-G132 PolarHBondContact O-N 3.39Å; F130-G132 PolarHBondContact O-N 3.43Å; G132-Q134 WeakPolarHBondContact O-CG 3.29Å; G132-Q134 PolarHBondContact O-N 3Å
133	T	76.9	Confident	79.7	Confident	26 Å²	26	70.5 Å²	70.5	16%	0.16	40%	0.397	C	S	.	.			trans	-59.8	-21.8	-173.3	61	0	0	0	0	113.8	L131 G135 D136 D139	L131-T133 HydrophobicContact CB-CG2 3.67Å; L131-T133 HydrophobicContact CD1-CG2 4.41Å; L131-T133 PolarHBondContact O-N 2.98Å; T133-G135 PolarHBondContact O-N 3.25Å; T133-G135 VanDerWaalsContact O-N 3.07Å; T133-D136 VanDerWaalsContact O-CB 3.24Å; T133-D136 WeakPolarHBondContact O-CB 3.12Å; T133-D136 PolarHBondContact O-N 2.64Å; T133-D139 VanDerWaalsContact CA-OD2 3.29Å; T133-D139 WeakPolarHBondContact CA-OD2 3.4Å; T133-D139 HydrophobicContact CG2-CB 4.19Å
134	Q	80.2	Confident	80.4	Confident	71 Å²	71	68.5 Å²	68.5	33%	0.332	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	30.1	-177.9	-67.1	170.5	86.5	0	0	112	A46 R62 N63 G132	A46-Q134 HydrophobicContact CB-CG 3.76Å; R62-Q134 HydrophobicContact CB-CB 4.11Å; N63-Q134 VanDerWaalsContact N-OE1 3.09Å; N63-Q134 PolarHBondContact O-NE2 2.97Å; N63-Q134 VanDerWaalsContact O-NE2 3.11Å; G132-Q134 WeakPolarHBondContact O-CG 3.29Å; G132-Q134 PolarHBondContact O-N 3Å
135	G	79.9	Confident	81.3	Confident	76 Å²	76	72 Å²	72	78%	0.784	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	8.5	-177.6	0	0	0	0	0	115.2	T133	T133-G135 PolarHBondContact O-N 3.25Å; T133-G135 VanDerWaalsContact O-N 3.07Å
136	D	84.1	Confident	82.8	Confident	49 Å²	49	64 Å²	64	26%	0.262	35%	0.353	S	S	.	.			trans	-86.9	108.9	177.5	-169.7	-2.4	0	0	0	111.4	R62 T133 W138 D139	R62-D136 IonicContact CZ-OD2 2.61Å; R62-D136 IonicContact NE-OD2 2.76Å; R62-D136 IonicContact NH2-OD2 3.67Å; R62-D136 PolarHBondContact NH2-OD2 3.25Å; T133-D136 VanDerWaalsContact O-CB 3.24Å; T133-D136 WeakPolarHBondContact O-CB 3.12Å; T133-D136 PolarHBondContact O-N 2.64Å; D136-W138 PolarHBondContact O-N 2.78Å; D136-W138 PolarHBondContact OD1-N 3.36Å; D136-D139 HydrophobicContact CB-CB 4.29Å; D136-D139 WeakPolarHBondContact O-CB 3.46Å; D136-D139 PolarHBondContact O-N 2.93Å
137	Q	87.1	Confident	84.2	Confident	159 Å²	159	62 Å²	62	74%	0.743	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.2	177.5	70.3	-175.7	-27.1	0	0	113.8
138	W	89.2	Confident	85.6	Confident	152 Å²	152	63.3 Å²	63.3	58%	0.576	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	13.2	-178.1	-61.7	110.6	0	0	0	112.8	D136 Q141 S142	D136-W138 PolarHBondContact O-N 2.78Å; D136-W138 PolarHBondContact OD1-N 3.36Å; W138-Q141 VanDerWaalsContact C-OE1 3.25Å; W138-Q141 VanDerWaalsContact CA-OE1 3.26Å; W138-Q141 HydrophobicContact CE3-CG 4.29Å; W138-Q141 PolarHBondContact O-N 2.75Å; W138-Q141 PolarHBondContact O-OE1 3.4Å; W138-S142 WeakPolarHBondContact O-CB 3.26Å; W138-S142 PolarHBondContact O-N 3.05Å; W138-S142 PolarHBondContact O-OG 3.47Å
139	D	90.6	Very high	87.2	Confident	7 Å²	7	61.1 Å²	61.1	4%	0.037	32%	0.324	C	S	.	.	H	α-helix	trans	-54.8	-63.9	-172.7	-163.5	36.3	0	0	0	111.2	R62 K67 T133 D136 Q141 S142 D143	R62-D139 IonicContact CZ-OD1 3.06Å; R62-D139 IonicContact NH1-OD1 3.76Å; R62-D139 PolarHBondContact NH1-OD1 2.92Å; R62-D139 IonicContact NH1-OD2 3.07Å; R62-D139 IonicContact NH2-OD1 3.84Å; R62-D139 PolarHBondContact NH2-OD1 2.91Å; K67-D139 IonicContact NZ-OD1 3.3Å; K67-D139 PolarHBondContact NZ-OD1 3.29Å; T133-D139 VanDerWaalsContact CA-OD2 3.29Å; T133-D139 WeakPolarHBondContact CA-OD2 3.4Å; T133-D139 HydrophobicContact CG2-CB 4.19Å; D136-D139 HydrophobicContact CB-CB 4.29Å; D136-D139 WeakPolarHBondContact O-CB 3.46Å; D136-D139 PolarHBondContact O-N 2.93Å; D139-Q141 VanDerWaalsContact C-N 3.27Å; D139-Q141 PolarHBondContact O-N 2.92Å; D139-Q141 VanDerWaalsContact O-N 3.08Å; D139-S142 CarbonylContact O-C 3.57Å; D139-S142 WeakPolarHBondContact O-CA 3.31Å; D139-S142 WeakPolarHBondContact O-CB 3.35Å; D139-S142 PolarHBondContact O-N 3.1Å; D139-S142 PolarHBondContact O-OG 3.45Å; D139-D143 VanDerWaalsContact CG-OD2 3.28Å; D139-D143 PolarHBondContact O-N 3.24Å; D139-D143 VanDerWaalsContact OD1-OD2 3.12Å
140	T	92.5	Very high	88.6	Confident	52 Å²	52	54.4 Å²	54.4	32%	0.319	29%	0.288	S	S	.	.	H	α-helix	trans	-48.2	-42.3	177.5	-66.2	0	0	0	0	114.1	E113 D143 M144	E113-T140 HydrophobicContact CB-CG2 3.85Å; E113-T140 HydrophobicContact CG-CG2 3.81Å; E113-T140 WeakPolarHBondContact OE2-CA 3.41Å; E113-T140 VanDerWaalsContact OE2-CB 3.26Å; E113-T140 WeakPolarHBondContact OE2-CB 3.48Å; E113-T140 VanDerWaalsContact OE2-CG2 3.27Å; E113-T140 WeakPolarHBondContact OE2-CG2 3.4Å; E113-T140 PolarHBondContact OE2-OG1 2.62Å; T140-D143 PolarHBondContact O-N 2.85Å; T140-M144 HydrophobicContact CG2-CE 3.95Å; T140-M144 WeakPolarHBondContact O-CG 3.42Å; T140-M144 PolarHBondContact O-N 3.47Å; T140-M144 VanDerWaalsContact O-N 3.08Å
141	Q	94.8	Very high	90	Very high	92 Å²	92	52.1 Å²	52.1	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-69.7	-42.1	178.4	-63	84	-6.3	0	0	111.4	W138 D139 D143 F145	W138-Q141 VanDerWaalsContact C-OE1 3.25Å; W138-Q141 VanDerWaalsContact CA-OE1 3.26Å; W138-Q141 HydrophobicContact CE3-CG 4.29Å; W138-Q141 PolarHBondContact O-N 2.75Å; W138-Q141 PolarHBondContact O-OE1 3.4Å; D139-Q141 VanDerWaalsContact C-N 3.27Å; D139-Q141 PolarHBondContact O-N 2.92Å; D139-Q141 VanDerWaalsContact O-N 3.08Å; Q141-D143 VanDerWaalsContact C-N 3.29Å; Q141-F145 WeakPolarHBondContact O-CB 3.15Å; Q141-F145 PolarHBondContact O-N 3.4Å
142	S	94.1	Very high	91.3	Very high	34 Å²	34	53 Å²	53	24%	0.238	28%	0.283	C	S	.	.	H	α-helix	trans	-66.7	-31.6	176.3	71.5	0	0	0	0	112.2	K67 W138 D139 F145 C146	K67-S142 WeakPolarHBondContact CE-OG 3.28Å; K67-S142 PolarHBondContact NZ-OG 2.85Å; W138-S142 WeakPolarHBondContact O-CB 3.26Å; W138-S142 PolarHBondContact O-N 3.05Å; W138-S142 PolarHBondContact O-OG 3.47Å; D139-S142 CarbonylContact O-C 3.57Å; D139-S142 WeakPolarHBondContact O-CA 3.31Å; D139-S142 WeakPolarHBondContact O-CB 3.35Å; D139-S142 PolarHBondContact O-N 3.1Å; D139-S142 PolarHBondContact O-OG 3.45Å; S142-F145 WeakPolarHBondContact O-CB 3.24Å; S142-F145 PolarHBondContact O-N 2.93Å; S142-C146 PolarHBondContact O-N 3.41Å; S142-C146 PolarHBondContact O-SG 3.44Å; S142-C146 VanDerWaalsContact O-SG 3.4Å
143	D	95	Very high	92.5	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-68.2	-48.5	175.1	-75.6	-38.4	0	0	0	112.9	K67 H70 E113 D139 T140 Q141 F145 C146 A147	K67-D143 WeakPolarHBondContact CD-OD1 3.32Å; K67-D143 IonicContact NZ-OD1 2.9Å; K67-D143 PolarHBondContact NZ-OD1 3.06Å; K67-D143 IonicContact NZ-OD2 2.79Å; K67-D143 PolarHBondContact NZ-OD2 3.28Å; H70-D143 HydrophobicContact CB-CB 4.29Å; H70-D143 IonicContact CD2-OD1 3.5Å; H70-D143 PolarHBondContact CD2-OD1 3.3Å; H70-D143 IonicContact CG-OD1 3.09Å; H70-D143 VanDerWaalsContact CG-OD1 3.3Å; H70-D143 VanDerWaalsContact NE2-CG 3.35Å; H70-D143 IonicContact NE2-OD1 2.77Å; H70-D143 PolarHBondContact NE2-OD1 2.91Å; E113-D143 VanDerWaalsContact OE1-CB 3.29Å; E113-D143 WeakPolarHBondContact OE1-CB 3.3Å; D139-D143 VanDerWaalsContact CG-OD2 3.28Å; D139-D143 PolarHBondContact O-N 3.24Å; D139-D143 VanDerWaalsContact OD1-OD2 3.12Å; T140-D143 PolarHBondContact O-N 2.85Å; Q141-D143 VanDerWaalsContact C-N 3.29Å; D143-F145 PolarHBondContact O-N 3.49Å; D143-C146 WeakPolarHBondContact O-CB 3.46Å; D143-C146 PolarHBondContact O-N 2.88Å; D143-C146 VanDerWaalsContact O-N 3.14Å; D143-A147 PolarHBondContact O-N 2.88Å
144	M	97	Very high	93.4	Very high	52 Å²	52	53 Å²	53	26%	0.256	28%	0.28	S	S	.	.	H	α-helix	trans	-59.8	-34.7	171.6	-70.6	-172.5	-70.4	0	0	112	L106 A110 E113 T140 A147 L148	L106-M144 WeakPolarHBondContact CD2-O 3.41Å; A110-M144 HydrophobicContact CB-SD 3.85Å; E113-M144 HydrophobicContact CG-CG 4.17Å; T140-M144 HydrophobicContact CG2-CE 3.95Å; T140-M144 WeakPolarHBondContact O-CG 3.42Å; T140-M144 PolarHBondContact O-N 3.47Å; T140-M144 VanDerWaalsContact O-N 3.08Å; M144-A147 PolarHBondContact O-N 3.39Å; M144-L148 PolarHBondContact O-N 3.43Å
145	F	97.4	Very high	94.1	Very high	122 Å²	122	50.9 Å²	50.9	54%	0.535	27%	0.27	S	S	.	.	H	α-helix	trans	-68.1	-42.7	174.3	-178.3	-110.8	0	0	0	112.2	Q141 S142 D143 A147 L148 L149	Q141-F145 WeakPolarHBondContact O-CB 3.15Å; Q141-F145 PolarHBondContact O-N 3.4Å; S142-F145 WeakPolarHBondContact O-CB 3.24Å; S142-F145 PolarHBondContact O-N 2.93Å; D143-F145 PolarHBondContact O-N 3.49Å; F145-A147 VanDerWaalsContact C-N 3.3Å; F145-A147 PolarHBondContact O-N 3.48Å; F145-L148 WeakPolarHBondContact O-CB 3.45Å; F145-L148 PolarHBondContact O-N 3.25Å; F145-L148 VanDerWaalsContact O-N 3.1Å; F145-L149 HydrophobicContact CD1-CD1 4.22Å; F145-L149 HydrophobicContact CE1-CD1 3.78Å; F145-L149 HydrophobicContact CE1-CD2 4.46Å; F145-L149 HydrophobicContact CE1-CG 4.17Å; F145-L149 HydrophobicContact CZ-CD1 4.25Å; F145-L149 HydrophobicContact CZ-CD2 4.09Å; F145-L149 HydrophobicContact CZ-CG 4.23Å; F145-L149 WeakPolarHBondContact O-CG 3.37Å; F145-L149 PolarHBondContact O-N 2.99Å
146	C	97.4	Very high	94.8	Very high	23 Å²	23	53.8 Å²	53.8	16%	0.155	27%	0.265	C	S	.	.	H	α-helix	trans	-59.7	-40.5	172.5	-77.3	0	0	0	0	111.8	H70 S142 D143 L148 L149 G150	H70-C146 HydrophobicContact CB-CB 3.89Å; S142-C146 PolarHBondContact O-N 3.41Å; S142-C146 PolarHBondContact O-SG 3.44Å; S142-C146 VanDerWaalsContact O-SG 3.4Å; D143-C146 WeakPolarHBondContact O-CB 3.46Å; D143-C146 PolarHBondContact O-N 2.88Å; D143-C146 VanDerWaalsContact O-N 3.14Å; C146-L148 VanDerWaalsContact C-N 3.35Å; C146-L148 PolarHBondContact O-N 2.96Å; C146-L149 PolarHBondContact O-N 3.36Å; C146-G150 PolarHBondContact O-N 3.2Å
147	A	98.2	Very high	95.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-38	172.6	0	0	0	0	0	112.5	H70 G74 S109 D143 M144 F145 G150 A151	H70-A147 WeakPolarHBondContact O-CA 3.31Å; H70-A147 WeakPolarHBondContact O-CB 3.44Å; H70-A147 PolarHBondContact O-N 3.23Å; G74-A147 WeakPolarHBondContact CA-O 3.27Å; S109-A147 WeakPolarHBondContact OG-CB 3.48Å; D143-A147 PolarHBondContact O-N 2.88Å; M144-A147 PolarHBondContact O-N 3.39Å; F145-A147 VanDerWaalsContact C-N 3.3Å; F145-A147 PolarHBondContact O-N 3.48Å; A147-G150 PolarHBondContact O-N 3.36Å; A147-A151 PolarHBondContact O-N 3.1Å
148	L	98.2	Very high	95.6	Very high	47 Å²	47	50.6 Å²	50.6	25%	0.246	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-43.8	172.6	-178.5	56.2	0	0	0	111.8	C102 L106 M144 F145 C146 G150 A151 L152	C102-L148 HydrophobicContact CB-CD1 4.39Å; L106-L148 HydrophobicContact CD1-CD1 3.98Å; L106-L148 HydrophobicContact CD2-CB 3.96Å; L106-L148 HydrophobicContact CG-CB 4.43Å; L106-L148 HydrophobicContact CG-CD1 4.22Å; M144-L148 PolarHBondContact O-N 3.43Å; F145-L148 WeakPolarHBondContact O-CB 3.45Å; F145-L148 PolarHBondContact O-N 3.25Å; F145-L148 VanDerWaalsContact O-N 3.1Å; C146-L148 VanDerWaalsContact C-N 3.35Å; C146-L148 PolarHBondContact O-N 2.96Å; L148-G150 VanDerWaalsContact C-N 3.34Å; L148-G150 PolarHBondContact O-N 3.42Å; L148-A151 PolarHBondContact O-N 3.17Å; L148-L152 HydrophobicContact CD1-CD1 4.4Å; L148-L152 HydrophobicContact CD1-CG 4.25Å; L148-L152 HydrophobicContact CG-CD1 4.13Å; L148-L152 HydrophobicContact CG-CG 4.45Å; L148-L152 VanDerWaalsContact O-CG 3.31Å; L148-L152 WeakPolarHBondContact O-CG 3.35Å; L148-L152 PolarHBondContact O-N 3.3Å
149	L	98.3	Very high	95.7	Very high	71 Å²	71	43.8 Å²	43.8	37%	0.372	23%	0.227	S	C	.	.	H	α-helix	trans	-59.6	-44.7	176.7	-67.4	177.8	0	0	0	111.4	F71 F145 C146 A151 L152 T153	F71-L149 HydrophobicContact CD2-CB 4.34Å; F71-L149 HydrophobicContact CE2-CB 4.41Å; F145-L149 HydrophobicContact CD1-CD1 4.22Å; F145-L149 HydrophobicContact CE1-CD1 3.78Å; F145-L149 HydrophobicContact CE1-CD2 4.46Å; F145-L149 HydrophobicContact CE1-CG 4.17Å; F145-L149 HydrophobicContact CZ-CD1 4.25Å; F145-L149 HydrophobicContact CZ-CD2 4.09Å; F145-L149 HydrophobicContact CZ-CG 4.23Å; F145-L149 WeakPolarHBondContact O-CG 3.37Å; F145-L149 PolarHBondContact O-N 2.99Å; C146-L149 PolarHBondContact O-N 3.36Å; L149-A151 VanDerWaalsContact C-N 3.35Å; L149-A151 PolarHBondContact O-N 2.86Å; L149-L152 PolarHBondContact O-N 2.98Å; L149-T153 PolarHBondContact O-N 2.89Å; L149-T153 PolarHBondContact O-OG1 2.61Å
150	G	98.3	Very high	95.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-44.2	174.3	0	0	0	0	0	112.7	F71 L75 C146 A147 L148 L152 T153 T154	F71-G150 VanDerWaalsContact CE2-CA 3.48Å; F71-G150 WeakPolarHBondContact O-CA 3.46Å; L75-G150 WeakPolarHBondContact CA-O 3.37Å; L75-G150 WeakPolarHBondContact CD1-O 3.48Å; C146-G150 PolarHBondContact O-N 3.2Å; A147-G150 PolarHBondContact O-N 3.36Å; L148-G150 VanDerWaalsContact C-N 3.34Å; L148-G150 PolarHBondContact O-N 3.42Å; G150-L152 VanDerWaalsContact C-N 3.33Å; G150-L152 PolarHBondContact O-N 3.3Å; G150-T153 PolarHBondContact O-N 2.77Å; G150-T154 PolarHBondContact O-N 2.76Å; G150-T154 PolarHBondContact O-OG1 3.47Å
151	A	98.2	Very high	95.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-39.2	177.3	0	0	0	0	0	112.6	A78 C102 A105 A147 L148 L149 T154 Q155	A78-A151 HydrophobicContact CB-CB 3.94Å; C102-A151 HydrophobicContact CB-CB 4.47Å; A105-A151 HydrophobicContact CB-CB 3.65Å; A147-A151 PolarHBondContact O-N 3.1Å; L148-A151 PolarHBondContact O-N 3.17Å; L149-A151 VanDerWaalsContact C-N 3.35Å; L149-A151 PolarHBondContact O-N 2.86Å; A151-T154 WeakPolarHBondContact O-CB 3.42Å; A151-T154 PolarHBondContact O-N 3.35Å; A151-Q155 WeakPolarHBondContact O-CG 3.42Å; A151-Q155 PolarHBondContact O-N 3.22Å
152	L	97.8	Very high	95.8	Very high	64 Å²	64	42.2 Å²	42.2	34%	0.335	23%	0.231	S	C	.	.	H	α-helix	trans	-66.1	-44.4	175.6	-69.8	171.4	0	0	0	111.7	L148 L149 G150 T154 Q155 M156	L148-L152 HydrophobicContact CD1-CD1 4.4Å; L148-L152 HydrophobicContact CD1-CG 4.25Å; L148-L152 HydrophobicContact CG-CD1 4.13Å; L148-L152 HydrophobicContact CG-CG 4.45Å; L148-L152 VanDerWaalsContact O-CG 3.31Å; L148-L152 WeakPolarHBondContact O-CG 3.35Å; L148-L152 PolarHBondContact O-N 3.3Å; L149-L152 PolarHBondContact O-N 2.98Å; G150-L152 VanDerWaalsContact C-N 3.33Å; G150-L152 PolarHBondContact O-N 3.3Å; L152-T154 VanDerWaalsContact C-N 3.27Å; L152-T154 PolarHBondContact O-N 3.4Å; L152-Q155 PolarHBondContact O-N 3.02Å; L152-M156 WeakPolarHBondContact O-CG 3.44Å; L152-M156 PolarHBondContact O-N 3.16Å
153	T	97.6	Very high	95.8	Very high	40 Å²	40	43.6 Å²	43.6	25%	0.245	23%	0.231	C	C	.	.	H	α-helix	trans	-55.7	-42.5	173.3	-63.6	0	0	0	0	111.3	F71 L75 L149 G150 Q155 M156 D157	F71-T153 HydrophobicContact CZ-CG2 4.06Å; L75-T153 HydrophobicContact CD1-CG2 3.83Å; L149-T153 PolarHBondContact O-N 2.89Å; L149-T153 PolarHBondContact O-OG1 2.61Å; G150-T153 PolarHBondContact O-N 2.77Å; T153-Q155 VanDerWaalsContact C-N 3.27Å; T153-Q155 PolarHBondContact O-N 3.07Å; T153-M156 PolarHBondContact O-N 3.07Å; T153-D157 HydrophobicContact CG2-CB 4.5Å; T153-D157 WeakPolarHBondContact CG2-OD2 3.48Å; T153-D157 PolarHBondContact O-N 3Å
154	T	95.8	Very high	95.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.258	C	S	.	.	I	π-helix	trans	-56.7	-41.4	174.3	-69.3	0	0	0	0	112.1	L75 A78 L79 G150 A151 L152 L158 D159	L75-T154 WeakPolarHBondContact CA-OG1 3.41Å; L75-T154 VanDerWaalsContact CD1-OG1 3.29Å; L75-T154 WeakPolarHBondContact CD1-OG1 3.26Å; L75-T154 PolarHBondContact O-OG1 2.92Å; A78-T154 HydrophobicContact CB-CG2 4.01Å; L79-T154 HydrophobicContact CB-CG2 3.89Å; L79-T154 HydrophobicContact CD1-CG2 3.71Å; L79-T154 HydrophobicContact CG-CG2 4.43Å; G150-T154 PolarHBondContact O-N 2.76Å; G150-T154 PolarHBondContact O-OG1 3.47Å; A151-T154 WeakPolarHBondContact O-CB 3.42Å; A151-T154 PolarHBondContact O-N 3.35Å; L152-T154 VanDerWaalsContact C-N 3.27Å; L152-T154 PolarHBondContact O-N 3.4Å; T154-L158 CarbonylContact O-C 3.58Å; T154-L158 WeakPolarHBondContact O-CB 3.48Å; T154-L158 PolarHBondContact O-N 3.18Å; T154-D159 PolarHBondContact O-N 3.17Å
155	Q	94.8	Very high	95.6	Very high	28 Å²	28	47.4 Å²	47.4	13%	0.131	26%	0.257	C	S	.	.	I	π-helix	trans	-74.9	-33.3	-179.1	-58.9	-42.9	-65.3	0	0	113.3	A98 A151 L152 T153 D159	A98-Q155 HydrophobicContact CB-CB 4.34Å; A98-Q155 HydrophobicContact CB-CG 3.87Å; A151-Q155 WeakPolarHBondContact O-CG 3.42Å; A151-Q155 PolarHBondContact O-N 3.22Å; L152-Q155 PolarHBondContact O-N 3.02Å; T153-Q155 VanDerWaalsContact C-N 3.27Å; T153-Q155 PolarHBondContact O-N 3.07Å; Q155-D159 VanDerWaalsContact O-CB 3.24Å; Q155-D159 WeakPolarHBondContact O-CB 3.13Å
156	M	94.6	Very high	95.5	Very high	136 Å²	136	42.1 Å²	42.1	67%	0.67	23%	0.234	S	C	*	.	I	π-helix	trans	-81.1	-46.5	-176.9	-66.6	179.6	-174.5	0	0	111.7	L152 T153	L152-M156 WeakPolarHBondContact O-CG 3.44Å; L152-M156 PolarHBondContact O-N 3.16Å; T153-M156 PolarHBondContact O-N 3.07Å
157	D	94.4	Very high	95.4	Very high	108 Å²	108	47.1 Å²	47.1	58%	0.578	26%	0.255	S	S	*	.	I	π-helix	trans	-108.4	-33.1	-164.9	-57.3	-38.9	0	0	0	113	T153	T153-D157 HydrophobicContact CG2-CB 4.5Å; T153-D157 WeakPolarHBondContact CG2-OD2 3.48Å; T153-D157 PolarHBondContact O-N 3Å
158	L	93.7	Very high	95.2	Very high	34 Å²	34	50 Å²	50	18%	0.178	28%	0.279	C	S	.	.	I	π-helix	trans	-97.3	-17.9	-175.1	-55.1	-176.6	0	0	0	113.5	L29 L75 L79 T154 A161 Q162	L29-L158 HydrophobicContact CD1-CD1 3.67Å; L75-L158 HydrophobicContact CD1-CD1 3.89Å; L75-L158 HydrophobicContact CG-CD1 4.21Å; L79-L158 HydrophobicContact CD1-CB 4.12Å; L79-L158 HydrophobicContact CD1-CD1 4.48Å; L79-L158 HydrophobicContact CD2-CD1 4.48Å; T154-L158 CarbonylContact O-C 3.58Å; T154-L158 WeakPolarHBondContact O-CB 3.48Å; T154-L158 PolarHBondContact O-N 3.18Å; L158-A161 PolarHBondContact O-N 3.04Å; L158-Q162 WeakPolarHBondContact O-CB 3.42Å; L158-Q162 PolarHBondContact O-N 3.14Å
159	D	90.5	Very high	95	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.043	27%	0.273	C	S	.	.	H	α-helix	trans	-50.8	-48.4	177.9	177.3	81.2	0	0	0	112.6	R82 R94 T154 Q155 R163	R82-D159 IonicContact CZ-OD1 3.3Å; R82-D159 IonicContact NE-OD1 3.5Å; R82-D159 PolarHBondContact NE-OD1 3.48Å; R82-D159 PolarHBondContact NH2-O 3.04Å; R82-D159 IonicContact NH2-OD1 2.85Å; R82-D159 PolarHBondContact NH2-OD1 3.22Å; R82-D159 IonicContact NH2-OD2 3.44Å; R94-D159 IonicContact CZ-OD2 3.67Å; R94-D159 IonicContact NE-OD2 3.74Å; R94-D159 IonicContact NH2-OD2 2.69Å; R94-D159 PolarHBondContact NH2-OD2 3.08Å; T154-D159 PolarHBondContact O-N 3.17Å; Q155-D159 VanDerWaalsContact O-CB 3.24Å; Q155-D159 WeakPolarHBondContact O-CB 3.13Å; D159-R163 VanDerWaalsContact O-CG 3.31Å; D159-R163 WeakPolarHBondContact O-CG 3.39Å; D159-R163 PolarHBondContact O-N 3.24Å; D159-R163 IonicContact OD1-CZ 3.37Å; D159-R163 IonicContact OD1-NE 2.84Å; D159-R163 PolarHBondContact OD1-NE 3.38Å; D159-R163 IonicContact OD1-NH2 2.72Å; D159-R163 PolarHBondContact OD1-NH2 2.91Å; D159-R163 IonicContact OD2-CZ 3.59Å; D159-R163 IonicContact OD2-NE 3.19Å; D159-R163 PolarHBondContact OD2-NE 3.44Å; D159-R163 IonicContact OD2-NH2 3.38Å; D159-R163 PolarHBondContact OD2-NH2 3.48Å
160	P	92.9	Very high	94.7	Very high	70 Å²	70	48.2 Å²	48.2	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-67.4	-46.5	-178.7	-19.7	34.3	0	0	0	112.4	Q162 R163 V164	P160-Q162 VanDerWaalsContact C-N 3.33Å; P160-Q162 PolarHBondContact O-N 3.37Å; P160-R163 PolarHBondContact O-N 3.31Å; P160-V164 PolarHBondContact O-N 2.89Å
161	A	93.5	Very high	94.5	Very high	49 Å²	49	51.8 Å²	51.8	41%	0.405	29%	0.29	S	S	.	.	H	α-helix	trans	-63.4	-39.8	-178.9	0	0	0	0	0	111.8	L25 L158 R163 T165	L25-A161 HydrophobicContact CD2-CB 4.09Å; L158-A161 PolarHBondContact O-N 3.04Å; A161-R163 PolarHBondContact O-N 2.86Å; A161-T165 PolarHBondContact O-N 3.02Å; A161-T165 PolarHBondContact O-OG1 3.27Å; A161-T165 VanDerWaalsContact O-OG1 3.05Å
162	Q	94.2	Very high	94.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-67.9	-33.5	177.2	-159.6	-174.2	30.9	0	0	112.2	T23 L25 L79 R82 E83 L158 P160 T165 I166	T23-Q162 HydrophobicContact CG2-CG 4.27Å; L25-Q162 HydrophobicContact CD2-CB 4.18Å; L79-Q162 HydrophobicContact CD1-CB 4.06Å; L79-Q162 HydrophobicContact CD1-CG 3.96Å; L79-Q162 VanDerWaalsContact CG-NE2 3.33Å; L79-Q162 PolarHBondContact O-NE2 3.01Å; R82-Q162 VanDerWaalsContact CD-OE1 3.31Å; E83-Q162 PolarHBondContact OE2-NE2 3.46Å; E83-Q162 VanDerWaalsContact OE2-NE2 3.1Å; L158-Q162 WeakPolarHBondContact O-CB 3.42Å; L158-Q162 PolarHBondContact O-N 3.14Å; P160-Q162 VanDerWaalsContact C-N 3.33Å; P160-Q162 PolarHBondContact O-N 3.37Å; Q162-T165 WeakPolarHBondContact CA-OG1 3.19Å; Q162-T165 PolarHBondContact O-N 3.47Å; Q162-T165 PolarHBondContact O-OG1 2.84Å; Q162-T165 VanDerWaalsContact O-OG1 3.07Å; Q162-I166 HydrophobicContact CG-CD1 3.93Å; Q162-I166 HydrophobicContact CG-CG1 4.27Å; Q162-I166 WeakPolarHBondContact O-CB 3.21Å; Q162-I166 WeakPolarHBondContact O-CG1 3.47Å; Q162-I166 PolarHBondContact O-N 2.98Å
163	R	93.4	Very high	93.8	Very high	62 Å²	62	54.6 Å²	54.6	23%	0.234	30%	0.303	C	S	.	.	H	α-helix	trans	-60.8	-49.1	176.3	-72.8	173.7	-168.4	-70.7	-8.3	111.8	R82 D159 P160 A161 T165 I166 E167	R82-R163 VanDerWaalsContact NH2-NE 3.1Å; R82-R163 VanDerWaalsContact NH2-NH2 3.1Å; D159-R163 VanDerWaalsContact O-CG 3.31Å; D159-R163 WeakPolarHBondContact O-CG 3.39Å; D159-R163 PolarHBondContact O-N 3.24Å; D159-R163 IonicContact OD1-CZ 3.37Å; D159-R163 IonicContact OD1-NE 2.84Å; D159-R163 PolarHBondContact OD1-NE 3.38Å; D159-R163 IonicContact OD1-NH2 2.72Å; D159-R163 PolarHBondContact OD1-NH2 2.91Å; D159-R163 IonicContact OD2-CZ 3.59Å; D159-R163 IonicContact OD2-NE 3.19Å; D159-R163 PolarHBondContact OD2-NE 3.44Å; D159-R163 IonicContact OD2-NH2 3.38Å; D159-R163 PolarHBondContact OD2-NH2 3.48Å; P160-R163 PolarHBondContact O-N 3.31Å; A161-R163 PolarHBondContact O-N 2.86Å; R163-T165 VanDerWaalsContact C-N 3.3Å; R163-T165 PolarHBondContact O-N 3.22Å; R163-I166 PolarHBondContact O-N 3.02Å; R163-E167 WeakPolarHBondContact O-CG 3.33Å; R163-E167 PolarHBondContact O-N 2.92Å
164	V	93.7	Very high	93.5	Very high	97 Å²	97	58.5 Å²	58.5	59%	0.588	32%	0.319	S	S	*	.	H	α-helix	trans	-59	-44.3	-179.6	176.8	0	0	0	0	111	P160 E167 A168	P160-V164 PolarHBondContact O-N 2.89Å; V164-E167 PolarHBondContact O-N 3.27Å; V164-A168 PolarHBondContact O-N 3.31Å; V164-A168 VanDerWaalsContact O-N 3.15Å
165	T	94.7	Very high	93.3	Very high	37 Å²	37	62.1 Å²	62.1	23%	0.227	34%	0.338	C	S	.	.	H	α-helix	trans	-72	-32.1	-179.9	49	0	0	0	0	113.2	T23 A161 Q162 R163 I169	T23-T165 VanDerWaalsContact CG2-OG1 3.3Å; T23-T165 WeakPolarHBondContact CG2-OG1 3.23Å; A161-T165 PolarHBondContact O-N 3.02Å; A161-T165 PolarHBondContact O-OG1 3.27Å; A161-T165 VanDerWaalsContact O-OG1 3.05Å; Q162-T165 WeakPolarHBondContact CA-OG1 3.19Å; Q162-T165 PolarHBondContact O-N 3.47Å; Q162-T165 PolarHBondContact O-OG1 2.84Å; Q162-T165 VanDerWaalsContact O-OG1 3.07Å; R163-T165 VanDerWaalsContact C-N 3.3Å; R163-T165 PolarHBondContact O-N 3.22Å; T165-I169 PolarHBondContact O-N 3.16Å
166	I	95.6	Very high	93.1	Very high	11 Å²	11	65.3 Å²	65.3	6%	0.056	35%	0.353	C	S	.	.	H	α-helix	trans	-63.9	-49.4	171.6	-74.8	169.1	0	0	0	110.5	T23 E83 V86 R87 Q162 R163 A168 I169 E170	T23-I166 HydrophobicContact CG2-CB 4.46Å; T23-I166 HydrophobicContact CG2-CG1 3.61Å; E83-I166 HydrophobicContact CG-CD1 4.05Å; E83-I166 HydrophobicContact CG-CG1 4.16Å; V86-I166 HydrophobicContact CG1-CD1 4.4Å; R87-I166 HydrophobicContact CG-CD1 4.27Å; R87-I166 HydrophobicContact CG-CG1 4.21Å; R87-I166 HydrophobicContact CG-CG2 3.56Å; Q162-I166 HydrophobicContact CG-CD1 3.93Å; Q162-I166 HydrophobicContact CG-CG1 4.27Å; Q162-I166 WeakPolarHBondContact O-CB 3.21Å; Q162-I166 WeakPolarHBondContact O-CG1 3.47Å; Q162-I166 PolarHBondContact O-N 2.98Å; R163-I166 PolarHBondContact O-N 3.02Å; I166-A168 VanDerWaalsContact C-N 3.29Å; I166-A168 PolarHBondContact O-N 3.03Å; I166-I169 PolarHBondContact O-N 3.38Å; I166-I169 VanDerWaalsContact O-N 3.16Å; I166-E170 HydrophobicContact CG2-CG 4.33Å; I166-E170 PolarHBondContact O-N 2.85Å
167	E	94.5	Very high	92.8	Very high	127 Å²	127	66 Å²	66	59%	0.593	35%	0.348	S	S	*	.	H	α-helix	trans	-59.1	-41	-179.2	-73.5	169	-166.1	0	0	111.9	R163 V164 T171	R163-E167 WeakPolarHBondContact O-CG 3.33Å; R163-E167 PolarHBondContact O-N 2.92Å; V164-E167 PolarHBondContact O-N 3.27Å; E167-T171 WeakPolarHBondContact O-CB 3.49Å; E167-T171 PolarHBondContact O-N 2.94Å; E167-T171 PolarHBondContact O-OG1 3.45Å
168	A	94.2	Very high	92.7	Very high	62 Å²	62	67.4 Å²	67.4	51%	0.512	35%	0.346	S	S	.	.	H	α-helix	trans	-62.4	-43.7	175.5	0	0	0	0	0	112.5	V164 I166 E172	V164-A168 PolarHBondContact O-N 3.31Å; V164-A168 VanDerWaalsContact O-N 3.15Å; I166-A168 VanDerWaalsContact C-N 3.29Å; I166-A168 PolarHBondContact O-N 3.03Å; A168-E172 PolarHBondContact O-N 3.45Å; A168-E172 VanDerWaalsContact O-N 3.08Å
169	I	93.7	Very high	92.5	Very high	23 Å²	23	72 Å²	72	12%	0.118	37%	0.366	C	S	.	.	H	α-helix	trans	-66	-45.7	177.6	-77.3	168.3	0	0	0	111.6	P21 L22 T23 T165 I166 T171 E172 V173	P21-I169 HydrophobicContact CG-CG2 4.1Å; L22-I169 VanDerWaalsContact O-CD1 3.32Å; L22-I169 WeakPolarHBondContact O-CD1 3.09Å; T23-I169 VanDerWaalsContact CA-CD1 3.48Å; T23-I169 HydrophobicContact CG2-CD1 4.02Å; T165-I169 PolarHBondContact O-N 3.16Å; I166-I169 PolarHBondContact O-N 3.38Å; I166-I169 VanDerWaalsContact O-N 3.16Å; I169-T171 VanDerWaalsContact C-N 3.29Å; I169-T171 PolarHBondContact O-N 2.9Å; I169-E172 PolarHBondContact O-N 3.33Å; I169-V173 HydrophobicContact CG2-CG2 4.19Å; I169-V173 WeakPolarHBondContact O-CB 3.44Å; I169-V173 VanDerWaalsContact O-CG2 3.31Å; I169-V173 WeakPolarHBondContact O-CG2 3.39Å; I169-V173 PolarHBondContact O-N 3.47Å
170	E	93	Very high	92.4	Very high	56 Å²	56	77.4 Å²	77.4	26%	0.262	39%	0.391	S	S	.	.	H	α-helix	trans	-63	-40.1	-179.4	-69.4	-58.4	145.5	0	0	111.1	R87 I166 E172 V173 E174	R87-E170 IonicContact CZ-OE1 2.62Å; R87-E170 IonicContact NE-OE1 2.93Å; R87-E170 PolarHBondContact NE-OE1 3.11Å; R87-E170 IonicContact NH2-OE1 2.75Å; R87-E170 PolarHBondContact NH2-OE1 3.48Å; I166-E170 HydrophobicContact CG2-CG 4.33Å; I166-E170 PolarHBondContact O-N 2.85Å; E170-E172 PolarHBondContact O-N 3.49Å; E170-V173 PolarHBondContact O-N 3.37Å; E170-E174 WeakPolarHBondContact O-CB 3.35Å; E170-E174 VanDerWaalsContact O-CG 3.31Å; E170-E174 WeakPolarHBondContact O-CG 3.29Å; E170-E174 PolarHBondContact O-N 2.99Å
171	T	93.6	Very high	92.1	Very high	75 Å²	75	81.8 Å²	81.8	46%	0.46	40%	0.403	S	S	.	.	H	α-helix	trans	-61.4	-44.5	174.8	-58.7	0	0	0	0	111.6	E167 I169 E174 N175	E167-T171 WeakPolarHBondContact O-CB 3.49Å; E167-T171 PolarHBondContact O-N 2.94Å; E167-T171 PolarHBondContact O-OG1 3.45Å; I169-T171 VanDerWaalsContact C-N 3.29Å; I169-T171 PolarHBondContact O-N 2.9Å; T171-E174 PolarHBondContact O-N 3.06Å; T171-N175 WeakPolarHBondContact O-CB 3.42Å; T171-N175 PolarHBondContact O-N 2.85Å; T171-N175 PolarHBondContact O-ND2 3.16Å
172	E	92.6	Very high	91.8	Very high	100 Å²	100	85.3 Å²	85.3	47%	0.467	41%	0.411	S	S	.	.	H	α-helix	trans	-64.4	-44.2	177.6	179.8	58	-154.3	0	0	112	A168 I169 E170 E174 N175 Q176	A168-E172 PolarHBondContact O-N 3.45Å; A168-E172 VanDerWaalsContact O-N 3.08Å; I169-E172 PolarHBondContact O-N 3.33Å; E170-E172 PolarHBondContact O-N 3.49Å; E172-E174 VanDerWaalsContact C-N 3.34Å; E172-E174 PolarHBondContact O-N 3.23Å; E172-N175 PolarHBondContact O-N 3.48Å; E172-Q176 WeakPolarHBondContact O-CG 3.28Å; E172-Q176 PolarHBondContact O-N 2.96Å; E172-Q176 PolarHBondContact OE1-NE2 3.43Å
173	V	89.3	Confident	91.2	Very high	23 Å²	23	89.5 Å²	89.5	14%	0.139	44%	0.441	C	S	.	.	H	α-helix	trans	-63.7	-39.6	177.5	170.5	0	0	0	0	111.3	P21 I169 E170 R177	P21-V173 HydrophobicContact CG-CG2 4.24Å; I169-V173 HydrophobicContact CG2-CG2 4.19Å; I169-V173 WeakPolarHBondContact O-CB 3.44Å; I169-V173 VanDerWaalsContact O-CG2 3.31Å; I169-V173 WeakPolarHBondContact O-CG2 3.39Å; I169-V173 PolarHBondContact O-N 3.47Å; E170-V173 PolarHBondContact O-N 3.37Å; V173-R177 WeakPolarHBondContact O-CB 3.49Å; V173-R177 VanDerWaalsContact O-CG 3.31Å; V173-R177 WeakPolarHBondContact O-CG 3.37Å; V173-R177 PolarHBondContact O-N 3.3Å
174	E	91.1	Very high	90.1	Very high	123 Å²	123	100 Å²	100	58%	0.575	48%	0.48	S	S	*	.	H	α-helix	trans	-64.3	-43.3	174.4	-76.2	-179.5	171.4	0	0	112.1	E170 T171 E172 R177 Y178	E170-E174 WeakPolarHBondContact O-CB 3.35Å; E170-E174 VanDerWaalsContact O-CG 3.31Å; E170-E174 WeakPolarHBondContact O-CG 3.29Å; E170-E174 PolarHBondContact O-N 2.99Å; T171-E174 PolarHBondContact O-N 3.06Å; E172-E174 VanDerWaalsContact C-N 3.34Å; E172-E174 PolarHBondContact O-N 3.23Å; E174-R177 PolarHBondContact O-N 2.89Å; E174-Y178 WeakPolarHBondContact O-CB 3.43Å; E174-Y178 PolarHBondContact O-N 3.14Å
175	N	92.4	Very high	89.9	Confident	75 Å²	75	100.1 Å²	100.1	40%	0.401	48%	0.475	S	S	.	.	H	α-helix	trans	-61.7	-45.1	175.9	-72	-23.6	0	0	0	111.8	T171 E172 R177 Y178 H179	T171-N175 WeakPolarHBondContact O-CB 3.42Å; T171-N175 PolarHBondContact O-N 2.85Å; T171-N175 PolarHBondContact O-ND2 3.16Å; E172-N175 PolarHBondContact O-N 3.48Å; N175-R177 PolarHBondContact O-N 3.22Å; N175-Y178 WeakPolarHBondContact O-CB 3.49Å; N175-Y178 PolarHBondContact O-N 2.96Å; N175-Y178 VanDerWaalsContact O-N 3.16Å; N175-H179 PolarHBondContact O-CD2 2.96Å; N175-H179 PolarHBondContact O-N 2.9Å
176	Q	89.5	Confident	89.7	Confident	96 Å²	96	103.4 Å²	103.4	45%	0.449	49%	0.488	S	S	.	.	H	α-helix	trans	-59.6	-46.8	176.3	-72.4	175.3	5.1	0	0	111.4	E172 Y178 H179 E180	E172-Q176 WeakPolarHBondContact O-CG 3.28Å; E172-Q176 PolarHBondContact O-N 2.96Å; E172-Q176 PolarHBondContact OE1-NE2 3.43Å; Q176-Y178 VanDerWaalsContact C-N 3.28Å; Q176-Y178 PolarHBondContact O-N 3.32Å; Q176-H179 PolarHBondContact O-N 3.09Å; Q176-E180 WeakPolarHBondContact O-CG 3.26Å; Q176-E180 PolarHBondContact O-N 3.33Å
177	R	89.4	Confident	89.3	Confident	149 Å²	149	108.6 Å²	108.6	56%	0.562	51%	0.512	S	S	*	.	H	α-helix	trans	-61.8	-34.8	175.4	-74.4	174.2	177.3	177.3	3.2	112.7	V173 E174 N175 K181	V173-R177 WeakPolarHBondContact O-CB 3.49Å; V173-R177 VanDerWaalsContact O-CG 3.31Å; V173-R177 WeakPolarHBondContact O-CG 3.37Å; V173-R177 PolarHBondContact O-N 3.3Å; E174-R177 PolarHBondContact O-N 2.89Å; N175-R177 PolarHBondContact O-N 3.22Å; R177-K181 VanDerWaalsContact O-CG 3.29Å; R177-K181 WeakPolarHBondContact O-CG 3.42Å; R177-K181 PolarHBondContact O-N 3.41Å
178	Y	90.7	Very high	89	Confident	139 Å²	139	107.5 Å²	107.5	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-67.6	-46.7	175.8	179.9	-97.7	0	0	0	111.4	E174 N175 Q176 K181 Q182	E174-Y178 WeakPolarHBondContact O-CB 3.43Å; E174-Y178 PolarHBondContact O-N 3.14Å; N175-Y178 WeakPolarHBondContact O-CB 3.49Å; N175-Y178 PolarHBondContact O-N 2.96Å; N175-Y178 VanDerWaalsContact O-N 3.16Å; Q176-Y178 VanDerWaalsContact C-N 3.28Å; Q176-Y178 PolarHBondContact O-N 3.32Å; Y178-K181 PolarHBondContact O-N 3.14Å; Y178-Q182 HydrophobicContact CD1-CG 4.38Å; Y178-Q182 HydrophobicContact CE1-CG 3.99Å; Y178-Q182 WeakPolarHBondContact O-CG 3.41Å; Y178-Q182 PolarHBondContact O-N 3.3Å; Y178-Q182 PolarHBondContact OH-NE2 3.47Å
179	H	89.5	Confident	88.7	Confident	130 Å²	130	110.3 Å²	110.3	60%	0.602	51%	0.507	S	S	*	.	H	α-helix	trans	-63.8	-41.6	177.6	-75.1	-63.6	0	0	0	112.8	N175 Q176 K181 Q182 S183	N175-H179 PolarHBondContact O-CD2 2.96Å; N175-H179 PolarHBondContact O-N 2.9Å; Q176-H179 PolarHBondContact O-N 3.09Å; H179-K181 VanDerWaalsContact C-N 3.29Å; H179-K181 PolarHBondContact O-N 2.97Å; H179-Q182 PolarHBondContact O-N 3.44Å; H179-Q182 VanDerWaalsContact O-N 3.13Å; H179-S183 PolarHBondContact O-N 3.44Å; H179-S183 VanDerWaalsContact O-N 3.15Å
180	E	88.7	Confident	88.4	Confident	122 Å²	122	116.1 Å²	116.1	57%	0.57	53%	0.533	S	S	*	.	H	α-helix	trans	-59.6	-39.1	174.4	-74.4	176.8	171.7	0	0	111.8	Q176 Q182 S183	Q176-E180 WeakPolarHBondContact O-CG 3.26Å; Q176-E180 PolarHBondContact O-N 3.33Å; E180-Q182 VanDerWaalsContact C-N 3.32Å; E180-Q182 PolarHBondContact O-N 2.93Å; E180-S183 PolarHBondContact O-N 3.43Å; E180-S183 PolarHBondContact O-OG 2.98Å
181	K	88.1	Confident	88	Confident	161 Å²	161	120.4 Å²	120.4	70%	0.7	55%	0.552	S	S	*	*	H	α-helix	trans	-69.8	-24.8	176.5	-74.4	178	-171.9	-177.3	0	114.1	R177 Y178 H179	R177-K181 VanDerWaalsContact O-CG 3.29Å; R177-K181 WeakPolarHBondContact O-CG 3.42Å; R177-K181 PolarHBondContact O-N 3.41Å; Y178-K181 PolarHBondContact O-N 3.14Å; H179-K181 VanDerWaalsContact C-N 3.29Å; H179-K181 PolarHBondContact O-N 2.97Å
182	Q	85.6	Confident	87.6	Confident	123 Å²	123	123.9 Å²	123.9	58%	0.575	56%	0.559	S	S	*	*	H	α-helix	trans	-87.6	-15.1	178.3	-65.9	-69.1	-22.3	0	0	112.8	Y178 H179 E180 W184	Y178-Q182 HydrophobicContact CD1-CG 4.38Å; Y178-Q182 HydrophobicContact CE1-CG 3.99Å; Y178-Q182 WeakPolarHBondContact O-CG 3.41Å; Y178-Q182 PolarHBondContact O-N 3.3Å; Y178-Q182 PolarHBondContact OH-NE2 3.47Å; H179-Q182 PolarHBondContact O-N 3.44Å; H179-Q182 VanDerWaalsContact O-N 3.13Å; E180-Q182 VanDerWaalsContact C-N 3.32Å; E180-Q182 PolarHBondContact O-N 2.93Å; Q182-W184 VanDerWaalsContact C-N 3.31Å
183	S	83.2	Confident	87.2	Confident	88 Å²	88	125.9 Å²	125.9	62%	0.615	57%	0.567	S	S	*	*			trans	-83.7	1.4	177.7	58.5	0	0	0	0	115	H179 E180	H179-S183 PolarHBondContact O-N 3.44Å; H179-S183 VanDerWaalsContact O-N 3.15Å; E180-S183 PolarHBondContact O-N 3.43Å; E180-S183 PolarHBondContact O-OG 2.98Å
184	W	69	Low	87	Confident	282 Å²	282	135.3 Å²	135.3	100%	1.068	61%	0.606	S	S	*	*			trans	-119.7	0	176.3	-61.7	103.4	0	0	0	110.6	Q182	Q182-W184 VanDerWaalsContact C-N 3.31Å

Retrieved 184 of 184 residues in 345.9 ms (Link to these results)

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