A0A5K4F4U7_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4F4U7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 271 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	40.2	Very low	36.2	Very low	212 Å²	212	99.1 Å²	99.1	100%	1.044	52%	0.521	S	S	*	.				0	-41.3	0	-100.9	-175.4	-98.2	0	0	113.3
2	K	32.7	Very low	36.8	Very low	175 Å²	175	96.9 Å²	96.9	76%	0.761	52%	0.515	S	S	*	.	H	α-helix	trans	-62.3	-40	179.9	-66.2	-176.6	175.1	-174.9	0	115.3
3	T	34.2	Very low	37.3	Very low	101 Å²	101	91.8 Å²	91.8	62%	0.62	49%	0.488	S	S	*	.	H	α-helix	trans	-71.3	-35.7	179.7	12	0	0	0	0	113.5	F5 Q7	T3-F5 PolarHBondContact O-N 3.32Å; T3-Q7 WeakPolarHBondContact O-CB 3.43Å; T3-Q7 VanDerWaalsContact O-CG 3.27Å; T3-Q7 WeakPolarHBondContact O-CG 3.4Å; T3-Q7 PolarHBondContact O-N 3.3Å; T3-Q7 VanDerWaalsContact O-N 3.14Å; T3-Q7 PolarHBondContact O-OE1 3.09Å
4	C	30.6	Very low	37.4	Very low	83 Å²	83	90.9 Å²	90.9	56%	0.561	48%	0.475	S	S	*	.	H	α-helix	trans	-68.9	-31.2	-178.1	-61.2	0	0	0	0	113.3	A8	C4-A8 VanDerWaalsContact O-CB 3.24Å; C4-A8 WeakPolarHBondContact O-CB 3.47Å; C4-A8 PolarHBondContact O-N 3.21Å
5	F	32.1	Very low	37.4	Very low	117 Å²	117	89.9 Å²	89.9	51%	0.513	47%	0.469	S	S	.	.	H	α-helix	trans	-76.6	-42.4	-177.7	-158.5	-74.2	0	0	0	112	T3 Q7 A8 L9 R48	T3-F5 PolarHBondContact O-N 3.32Å; F5-Q7 VanDerWaalsContact C-N 3.35Å; F5-A8 PolarHBondContact O-N 3.16Å; F5-L9 WeakPolarHBondContact O-CB 3.14Å; F5-L9 PolarHBondContact O-N 3.34Å; F5-R48 VanDerWaalsContact CE1-NH2 3.3Å
6	V	35.3	Very low	37.6	Very low	44 Å²	44	89.3 Å²	89.3	27%	0.267	47%	0.466	S	S	.	.	H	α-helix	trans	-64.3	-43.4	175	178.8	0	0	0	0	110	A8 L9 V10 A39	V6-A8 PolarHBondContact O-N 2.76Å; V6-L9 PolarHBondContact O-N 2.9Å; V6-V10 HydrophobicContact CG1-CG2 4.27Å; V6-V10 WeakPolarHBondContact O-CB 3.22Å; V6-V10 VanDerWaalsContact O-CG2 3.24Å; V6-V10 WeakPolarHBondContact O-CG2 3.35Å; V6-V10 PolarHBondContact O-N 3.43Å; V6-A39 HydrophobicContact CG1-CB 4.44Å
7	Q	37.1	Very low	37.4	Very low	129 Å²	129	84.5 Å²	84.5	60%	0.603	44%	0.444	S	S	*	.	H	α-helix	trans	-59.9	-43.7	172.6	-75.5	174.7	-36.8	0	0	112	T3 F5 L11	T3-Q7 WeakPolarHBondContact O-CB 3.43Å; T3-Q7 VanDerWaalsContact O-CG 3.27Å; T3-Q7 WeakPolarHBondContact O-CG 3.4Å; T3-Q7 PolarHBondContact O-N 3.3Å; T3-Q7 VanDerWaalsContact O-N 3.14Å; T3-Q7 PolarHBondContact O-OE1 3.09Å; F5-Q7 VanDerWaalsContact C-N 3.35Å; Q7-L11 WeakPolarHBondContact O-CB 3.39Å; Q7-L11 PolarHBondContact O-N 3.06Å
8	A	35.4	Very low	37.3	Very low	48 Å²	48	80.8 Å²	80.8	40%	0.397	43%	0.425	S	S	.	.	H	α-helix	trans	-66.2	-38.2	178	0	0	0	0	0	112.8	C4 F5 V6 L11 T12	C4-A8 VanDerWaalsContact O-CB 3.24Å; C4-A8 WeakPolarHBondContact O-CB 3.47Å; C4-A8 PolarHBondContact O-N 3.21Å; F5-A8 PolarHBondContact O-N 3.16Å; V6-A8 PolarHBondContact O-N 2.76Å; A8-L11 PolarHBondContact O-N 3.41Å; A8-T12 WeakPolarHBondContact O-CB 3.44Å; A8-T12 PolarHBondContact O-N 2.74Å; A8-T12 PolarHBondContact O-OG1 2.9Å
9	L	40.4	Very low	37.4	Very low	51 Å²	51	84.3 Å²	84.3	27%	0.267	44%	0.439	S	S	.	.	H	α-helix	trans	-69.9	-45.8	178	-165	82.5	0	0	0	111.2	F5 V6 L11 T12 I13 F47	F5-L9 WeakPolarHBondContact O-CB 3.14Å; F5-L9 PolarHBondContact O-N 3.34Å; V6-L9 PolarHBondContact O-N 2.9Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 3.2Å; L9-T12 PolarHBondContact O-N 3.48Å; L9-T12 VanDerWaalsContact O-N 3.12Å; L9-I13 HydrophobicContact CD2-CD1 4.45Å; L9-I13 HydrophobicContact CG-CD1 4.19Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.28Å; L9-I13 PolarHBondContact O-N 3.04Å; L9-F47 HydrophobicContact CD2-CE1 4.42Å
10	V	41.3	Very low	37.5	Very low	28 Å²	28	86.6 Å²	86.6	17%	0.17	44%	0.442	C	S	.	.	H	α-helix	trans	-60.3	-43.2	172.9	171.8	0	0	0	0	110.1	V6 T12 I13 Y14	V6-V10 HydrophobicContact CG1-CG2 4.27Å; V6-V10 WeakPolarHBondContact O-CB 3.22Å; V6-V10 VanDerWaalsContact O-CG2 3.24Å; V6-V10 WeakPolarHBondContact O-CG2 3.35Å; V6-V10 PolarHBondContact O-N 3.43Å; V10-T12 VanDerWaalsContact C-N 3.3Å; V10-T12 PolarHBondContact O-N 3.45Å; V10-I13 PolarHBondContact O-N 3.42Å; V10-Y14 WeakPolarHBondContact O-CA 3.45Å; V10-Y14 WeakPolarHBondContact O-CB 3.21Å; V10-Y14 PolarHBondContact O-N 3.34Å
11	L	39.2	Very low	37.4	Very low	102 Å²	102	83.2 Å²	83.2	53%	0.534	43%	0.425	S	S	.	.	H	α-helix	trans	-64.8	-33.2	175.3	-158.6	83.9	0	0	0	111.8	Q7 A8 L9 I15	Q7-L11 WeakPolarHBondContact O-CB 3.39Å; Q7-L11 PolarHBondContact O-N 3.06Å; A8-L11 PolarHBondContact O-N 3.41Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 3.2Å; L11-I15 HydrophobicContact CD2-CD1 4.07Å; L11-I15 HydrophobicContact CG-CD1 3.95Å; L11-I15 HydrophobicContact CG-CG1 4.45Å; L11-I15 VanDerWaalsContact O-CB 3.27Å; L11-I15 WeakPolarHBondContact O-CB 3.47Å; L11-I15 WeakPolarHBondContact O-CD1 3.21Å; L11-I15 WeakPolarHBondContact O-CG1 3.46Å; L11-I15 PolarHBondContact O-N 3.32Å
12	T	43.6	Very low	37	Very low	73 Å²	73	78.3 Å²	78.3	45%	0.448	41%	0.407	S	S	.	.	H	α-helix	trans	-73.5	-43.1	177.4	-55.8	0	0	0	0	111	A8 L9 V10 Y14 I15 L16	A8-T12 WeakPolarHBondContact O-CB 3.44Å; A8-T12 PolarHBondContact O-N 2.74Å; A8-T12 PolarHBondContact O-OG1 2.9Å; L9-T12 PolarHBondContact O-N 3.48Å; L9-T12 VanDerWaalsContact O-N 3.12Å; V10-T12 VanDerWaalsContact C-N 3.3Å; V10-T12 PolarHBondContact O-N 3.45Å; T12-Y14 VanDerWaalsContact C-N 3.31Å; T12-I15 PolarHBondContact O-N 2.89Å; T12-L16 HydrophobicContact CG2-CD1 3.85Å; T12-L16 HydrophobicContact CG2-CG 4.48Å; T12-L16 VanDerWaalsContact O-CB 3.27Å; T12-L16 WeakPolarHBondContact O-CB 3.38Å; T12-L16 WeakPolarHBondContact O-CD1 3.34Å; T12-L16 WeakPolarHBondContact O-CG 3.22Å; T12-L16 PolarHBondContact O-N 3.49Å
13	I	42.8	Very low	37.2	Very low	31 Å²	31	76.5 Å²	76.5	16%	0.159	41%	0.411	C	S	.	.	H	α-helix	trans	-63.4	-40.2	172.9	-66.2	166	0	0	0	110	L9 V10 G17 I51	L9-I13 HydrophobicContact CD2-CD1 4.45Å; L9-I13 HydrophobicContact CG-CD1 4.19Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.28Å; L9-I13 PolarHBondContact O-N 3.04Å; V10-I13 PolarHBondContact O-N 3.42Å; I13-G17 WeakPolarHBondContact O-CA 3.49Å; I13-G17 PolarHBondContact O-N 3.03Å; I13-I51 HydrophobicContact CD1-CD1 3.92Å
14	Y	38.2	Very low	37.2	Very low	78 Å²	78	73.6 Å²	73.6	31%	0.306	40%	0.397	S	S	.	.	H	α-helix	trans	-64.9	-50.3	174.1	-179.3	-89.3	0	0	0	111.1	V10 T12 L16 G17 V18	V10-Y14 WeakPolarHBondContact O-CA 3.45Å; V10-Y14 WeakPolarHBondContact O-CB 3.21Å; V10-Y14 PolarHBondContact O-N 3.34Å; T12-Y14 VanDerWaalsContact C-N 3.31Å; Y14-L16 VanDerWaalsContact C-N 3.31Å; Y14-L16 PolarHBondContact O-N 3.5Å; Y14-G17 PolarHBondContact O-N 2.82Å; Y14-V18 HydrophobicContact CD1-CB 4.32Å; Y14-V18 HydrophobicContact CD1-CG2 4.08Å; Y14-V18 HydrophobicContact CD2-CG2 3.54Å; Y14-V18 HydrophobicContact CE1-CB 4.2Å; Y14-V18 HydrophobicContact CE1-CG1 4.23Å; Y14-V18 HydrophobicContact CE1-CG2 4.05Å; Y14-V18 HydrophobicContact CE2-CG2 3.53Å; Y14-V18 HydrophobicContact CG-CB 4.49Å; Y14-V18 HydrophobicContact CG-CG2 3.81Å; Y14-V18 WeakPolarHBondContact O-CA 3.17Å; Y14-V18 WeakPolarHBondContact O-CB 3.13Å; Y14-V18 WeakPolarHBondContact O-CG2 3.31Å; Y14-V18 PolarHBondContact O-N 2.92Å
15	I	38.6	Very low	37.7	Very low	76 Å²	76	77 Å²	77	39%	0.39	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-44.1	178.7	-72.4	162.4	0	0	0	110.2	L11 T12 Q19	L11-I15 HydrophobicContact CD2-CD1 4.07Å; L11-I15 HydrophobicContact CG-CD1 3.95Å; L11-I15 HydrophobicContact CG-CG1 4.45Å; L11-I15 VanDerWaalsContact O-CB 3.27Å; L11-I15 WeakPolarHBondContact O-CB 3.47Å; L11-I15 WeakPolarHBondContact O-CD1 3.21Å; L11-I15 WeakPolarHBondContact O-CG1 3.46Å; L11-I15 PolarHBondContact O-N 3.32Å; T12-I15 PolarHBondContact O-N 2.89Å; I15-Q19 WeakPolarHBondContact O-CB 3.36Å; I15-Q19 WeakPolarHBondContact O-CG 3.27Å; I15-Q19 PolarHBondContact O-N 2.86Å
16	L	39.6	Very low	38	Very low	81 Å²	81	77.8 Å²	77.8	42%	0.424	42%	0.419	S	S	.	.	H	α-helix	trans	-72.9	-34.6	-179.3	-68.2	170.4	0	0	0	113.1	T12 Y14	T12-L16 HydrophobicContact CG2-CD1 3.85Å; T12-L16 HydrophobicContact CG2-CG 4.48Å; T12-L16 VanDerWaalsContact O-CB 3.27Å; T12-L16 WeakPolarHBondContact O-CB 3.38Å; T12-L16 WeakPolarHBondContact O-CD1 3.34Å; T12-L16 WeakPolarHBondContact O-CG 3.22Å; T12-L16 PolarHBondContact O-N 3.49Å; Y14-L16 VanDerWaalsContact C-N 3.31Å; Y14-L16 PolarHBondContact O-N 3.5Å
17	G	34.9	Very low	38.6	Very low	8 Å²	8	78 Å²	78	8%	0.082	42%	0.421	C	S	.	.	H	α-helix	trans	-81.2	-40.7	177.7	0	0	0	0	0	113.2	I13 Y14 Y20 L21	I13-G17 WeakPolarHBondContact O-CA 3.49Å; I13-G17 PolarHBondContact O-N 3.03Å; Y14-G17 PolarHBondContact O-N 2.82Å; G17-Y20 PolarHBondContact O-N 3.43Å; G17-L21 WeakPolarHBondContact O-CB 3.23Å; G17-L21 PolarHBondContact O-N 3.3Å
18	V	35.9	Very low	39.3	Very low	18 Å²	18	73.5 Å²	73.5	11%	0.109	40%	0.403	C	S	.	.	H	α-helix	trans	-78.7	-33.4	-176.8	178.2	0	0	0	0	112.2	Y14 Y20 L21 V22	Y14-V18 HydrophobicContact CD1-CB 4.32Å; Y14-V18 HydrophobicContact CD1-CG2 4.08Å; Y14-V18 HydrophobicContact CD2-CG2 3.54Å; Y14-V18 HydrophobicContact CE1-CB 4.2Å; Y14-V18 HydrophobicContact CE1-CG1 4.23Å; Y14-V18 HydrophobicContact CE1-CG2 4.05Å; Y14-V18 HydrophobicContact CE2-CG2 3.53Å; Y14-V18 HydrophobicContact CG-CB 4.49Å; Y14-V18 HydrophobicContact CG-CG2 3.81Å; Y14-V18 WeakPolarHBondContact O-CA 3.17Å; Y14-V18 WeakPolarHBondContact O-CB 3.13Å; Y14-V18 WeakPolarHBondContact O-CG2 3.31Å; Y14-V18 PolarHBondContact O-N 2.92Å; V18-Y20 PolarHBondContact O-N 2.89Å; V18-L21 PolarHBondContact O-N 3.33Å; V18-V22 HydrophobicContact CG1-CG2 3.71Å; V18-V22 WeakPolarHBondContact O-CG2 3.12Å; V18-V22 PolarHBondContact O-N 3.1Å
19	Q	38.9	Very low	40.1	Very low	146 Å²	146	76.5 Å²	76.5	68%	0.682	41%	0.412	S	S	*	.	H	α-helix	trans	-59.7	-20.9	170.5	-79.4	178.8	-28.5	0	0	113	I15	I15-Q19 WeakPolarHBondContact O-CB 3.36Å; I15-Q19 WeakPolarHBondContact O-CG 3.27Å; I15-Q19 PolarHBondContact O-N 2.86Å
20	Y	39.1	Very low	40.7	Very low	130 Å²	130	80 Å²	80	51%	0.51	43%	0.427	S	S	.	.	H	α-helix	trans	-97.7	-21	171.7	-97.6	-85.3	0	0	0	114.4	G17 V18 A113	G17-Y20 PolarHBondContact O-N 3.43Å; V18-Y20 PolarHBondContact O-N 2.89Å; Y20-A113 HydrophobicContact CD1-CB 3.4Å; Y20-A113 HydrophobicContact CD2-CB 3.83Å; Y20-A113 HydrophobicContact CE1-CB 3.3Å; Y20-A113 HydrophobicContact CE2-CB 3.76Å; Y20-A113 HydrophobicContact CG-CB 3.65Å; Y20-A113 VanDerWaalsContact CZ-CB 3.49Å
21	L	35.2	Very low	41.3	Very low	16 Å²	16	79.5 Å²	79.5	8%	0.084	42%	0.424	C	S	.	.	H	α-helix	trans	-94.1	-4.8	179.3	-93	152.9	0	0	0	114.8	G17 V18 T23 A24 I109	G17-L21 WeakPolarHBondContact O-CB 3.23Å; G17-L21 PolarHBondContact O-N 3.3Å; V18-L21 PolarHBondContact O-N 3.33Å; L21-T23 PolarHBondContact O-N 3.48Å; L21-A24 HydrophobicContact CD2-CB 4.35Å; L21-A24 PolarHBondContact O-N 3.02Å; L21-I109 HydrophobicContact CD1-CD1 4.02Å; L21-I109 HydrophobicContact CD2-CD1 4.36Å; L21-I109 HydrophobicContact CG-CD1 4.3Å
22	V	32.6	Very low	41.9	Very low	109 Å²	109	78.6 Å²	78.6	66%	0.661	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	16.7	175.7	165.6	0	0	0	0	113.8	V18	V18-V22 HydrophobicContact CG1-CG2 3.71Å; V18-V22 WeakPolarHBondContact O-CG2 3.12Å; V18-V22 PolarHBondContact O-N 3.1Å
23	T	37	Very low	42.6	Very low	138 Å²	138	81.2 Å²	81.2	85%	0.847	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	4.8	164.6	49.8	0	0	0	0	114	L21	L21-T23 PolarHBondContact O-N 3.48Å
24	A	34.2	Very low	43.2	Very low	39 Å²	39	81.3 Å²	81.3	32%	0.322	42%	0.423	S	S	.	.			trans	-135	93.2	178.7	0	0	0	0	0	111.9	L21 N26 T27	L21-A24 HydrophobicContact CD2-CB 4.35Å; L21-A24 PolarHBondContact O-N 3.02Å; A24-N26 VanDerWaalsContact C-N 3.28Å; A24-N26 PolarHBondContact O-N 2.96Å; A24-T27 VanDerWaalsContact CB-OG1 3.26Å; A24-T27 WeakPolarHBondContact CB-OG1 3.32Å; A24-T27 PolarHBondContact O-N 3.42Å; A24-T27 PolarHBondContact O-OG1 3.1Å
25	D	39.7	Very low	44	Very low	155 Å²	155	77.8 Å²	77.8	83%	0.829	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	0.9	-165.3	-90.7	-28.1	0	0	0	118.3
26	N	39.6	Very low	44.8	Very low	134 Å²	134	78 Å²	78	72%	0.717	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.2	-18.8	176.8	-78.9	-13.7	0	0	0	114.4	A24 S28	A24-N26 VanDerWaalsContact C-N 3.28Å; A24-N26 PolarHBondContact O-N 2.96Å; N26-S28 VanDerWaalsContact C-N 3.34Å; N26-S28 PolarHBondContact O-N 3.17Å
27	T	47.6	Very low	45.8	Very low	49 Å²	49	77.3 Å²	77.3	30%	0.301	41%	0.411	S	S	.	.	H	α-helix	trans	-77.4	-14.5	-174.2	10.9	0	0	0	0	114.2	A24 L31	A24-T27 VanDerWaalsContact CB-OG1 3.26Å; A24-T27 WeakPolarHBondContact CB-OG1 3.32Å; A24-T27 PolarHBondContact O-N 3.42Å; A24-T27 PolarHBondContact O-OG1 3.1Å; T27-L31 WeakPolarHBondContact O-CB 3.45Å
28	S	50.6	Low	46.7	Very low	33 Å²	33	77.5 Å²	77.5	23%	0.231	41%	0.409	C	S	.	.	H	α-helix	trans	-79.9	-34	-177.2	58.7	0	0	0	0	113.5	N26 E32	N26-S28 VanDerWaalsContact C-N 3.34Å; N26-S28 PolarHBondContact O-N 3.17Å; S28-E32 PolarHBondContact O-N 3.32Å
29	L	52.8	Low	47.6	Very low	111 Å²	111	78.2 Å²	78.2	58%	0.581	42%	0.417	S	S	*	.	H	α-helix	trans	-78.7	-45.7	-174.2	-149.4	91.4	0	0	0	112.1	L31 E32 E33	L29-L31 VanDerWaalsContact C-N 3.28Å; L29-L31 PolarHBondContact O-N 3.34Å; L29-E32 WeakPolarHBondContact O-CB 3.5Å; L29-E32 PolarHBondContact O-N 2.98Å; L29-E32 VanDerWaalsContact O-N 3.16Å; L29-E33 PolarHBondContact O-N 3.44Å; L29-E33 VanDerWaalsContact O-N 3.17Å
30	E	53.9	Low	48.6	Very low	125 Å²	125	75.9 Å²	75.9	58%	0.584	41%	0.413	S	S	*	.	H	α-helix	trans	-60.4	-40.6	177	-68.1	176.4	166.8	0	0	111	E32 E33 E34	E30-E32 VanDerWaalsContact C-N 3.32Å; E30-E32 PolarHBondContact O-N 2.99Å; E30-E33 PolarHBondContact O-N 2.75Å; E30-E34 WeakPolarHBondContact O-CG 3.12Å; E30-E34 PolarHBondContact O-N 2.96Å
31	L	52.5	Low	49.4	Very low	18 Å²	18	74.5 Å²	74.5	9%	0.094	41%	0.414	C	S	.	.	H	α-helix	trans	-65.7	-34.4	177.7	-155.5	105.7	0	0	0	112.1	T27 L29 L35 F105 A106	T27-L31 WeakPolarHBondContact O-CB 3.45Å; L29-L31 VanDerWaalsContact C-N 3.28Å; L29-L31 PolarHBondContact O-N 3.34Å; L31-L35 HydrophobicContact CD2-CD1 4.01Å; L31-L35 HydrophobicContact CG-CD1 4.39Å; L31-L35 VanDerWaalsContact O-CB 3.31Å; L31-L35 WeakPolarHBondContact O-CB 3.45Å; L31-L35 WeakPolarHBondContact O-CD1 3.14Å; L31-L35 WeakPolarHBondContact O-CG 3.38Å; L31-L35 PolarHBondContact O-N 2.88Å; L31-F105 HydrophobicContact CD1-CD1 3.95Å; L31-A106 HydrophobicContact CD2-CB 3.98Å
32	E	52.6	Low	50.5	Low	83 Å²	83	75 Å²	75	39%	0.388	42%	0.418	S	S	.	.	H	α-helix	trans	-67.2	-44.2	176.3	-168.3	175.8	-178.3	0	0	111.4	S28 L29 E30 L35 V36	S28-E32 PolarHBondContact O-N 3.32Å; L29-E32 WeakPolarHBondContact O-CB 3.5Å; L29-E32 PolarHBondContact O-N 2.98Å; L29-E32 VanDerWaalsContact O-N 3.16Å; E30-E32 VanDerWaalsContact C-N 3.32Å; E30-E32 PolarHBondContact O-N 2.99Å; E32-L35 PolarHBondContact O-N 3.31Å; E32-V36 VanDerWaalsContact O-CG2 3.28Å; E32-V36 WeakPolarHBondContact O-CG2 3.31Å; E32-V36 PolarHBondContact O-N 3.31Å; E32-V36 VanDerWaalsContact O-N 3.1Å
33	E	58	Low	52	Low	127 Å²	127	73.5 Å²	73.5	59%	0.593	41%	0.409	S	S	*	.	H	α-helix	trans	-63.9	-43.9	176.8	-68.3	-173.9	165.8	0	0	111.9	L29 E30 V36 L37	L29-E33 PolarHBondContact O-N 3.44Å; L29-E33 VanDerWaalsContact O-N 3.17Å; E30-E33 PolarHBondContact O-N 2.75Å; E33-V36 PolarHBondContact O-N 3.22Å; E33-L37 WeakPolarHBondContact O-CD1 3.31Å; E33-L37 PolarHBondContact O-N 3.14Å
34	E	55.7	Low	53.1	Low	34 Å²	34	71.3 Å²	71.3	16%	0.159	39%	0.389	C	S	.	.	H	α-helix	trans	-66.3	-39.2	179.2	-71.6	174.8	161.2	0	0	112.2	E30 V36 L37 Y38 Y98 Y99 S102	E30-E34 WeakPolarHBondContact O-CG 3.12Å; E30-E34 PolarHBondContact O-N 2.96Å; E34-V36 PolarHBondContact O-N 3.08Å; E34-L37 PolarHBondContact O-N 3.37Å; E34-Y38 PolarHBondContact O-N 2.82Å; E34-Y98 HydrophobicContact CG-CE1 4.25Å; E34-Y98 WeakPolarHBondContact OE1-CE1 3.38Å; E34-Y98 VanDerWaalsContact OE1-CZ 3.3Å; E34-Y98 PolarHBondContact OE1-OH 3.5Å; E34-Y99 HydrophobicContact CB-CD1 4.32Å; E34-Y99 WeakPolarHBondContact O-CD1 3.29Å; E34-S102 WeakPolarHBondContact OE2-CB 3.34Å; E34-S102 PolarHBondContact OE2-OG 3.3Å
35	L	54.3	Low	54.4	Low	4 Å²	4	76.4 Å²	76.4	2%	0.021	40%	0.404	C	S	.	.	H	α-helix	trans	-64.4	-38.9	174.8	-76.9	168.3	0	0	0	112.4	L31 E32 Y38 A39 V103	L31-L35 HydrophobicContact CD2-CD1 4.01Å; L31-L35 HydrophobicContact CG-CD1 4.39Å; L31-L35 VanDerWaalsContact O-CB 3.31Å; L31-L35 WeakPolarHBondContact O-CB 3.45Å; L31-L35 WeakPolarHBondContact O-CD1 3.14Å; L31-L35 WeakPolarHBondContact O-CG 3.38Å; L31-L35 PolarHBondContact O-N 2.88Å; E32-L35 PolarHBondContact O-N 3.31Å; L35-Y38 PolarHBondContact O-N 2.48Å; L35-A39 WeakPolarHBondContact O-CB 3.29Å; L35-A39 PolarHBondContact O-N 2.97Å; L35-A39 VanDerWaalsContact O-N 3.1Å; L35-V103 HydrophobicContact CD2-CB 4.44Å; L35-V103 HydrophobicContact CD2-CG2 3.55Å
36	V	57.3	Low	55.6	Low	79 Å²	79	74.1 Å²	74.1	48%	0.479	39%	0.388	S	S	.	.	H	α-helix	trans	-67.2	-40.3	175.5	170.5	0	0	0	0	111.1	E32 E33 E34 A39 T40	E32-V36 VanDerWaalsContact O-CG2 3.28Å; E32-V36 WeakPolarHBondContact O-CG2 3.31Å; E32-V36 PolarHBondContact O-N 3.31Å; E32-V36 VanDerWaalsContact O-N 3.1Å; E33-V36 PolarHBondContact O-N 3.22Å; E34-V36 PolarHBondContact O-N 3.08Å; V36-A39 PolarHBondContact O-N 3.23Å; V36-T40 WeakPolarHBondContact O-CG2 3.24Å; V36-T40 PolarHBondContact O-N 3.26Å; V36-T40 VanDerWaalsContact O-N 3.16Å; V36-T40 PolarHBondContact O-OG1 2.84Å; V36-T40 VanDerWaalsContact O-OG1 3.09Å
37	L	59.5	Low	56.6	Low	68 Å²	68	68.1 Å²	68.1	36%	0.356	36%	0.356	S	S	.	.	H	α-helix	trans	-65.9	-40.7	175.5	-81.3	151.7	0	0	0	112	E33 E34 A39 T40 N41 Y99	E33-L37 WeakPolarHBondContact O-CD1 3.31Å; E33-L37 PolarHBondContact O-N 3.14Å; E34-L37 PolarHBondContact O-N 3.37Å; L37-A39 VanDerWaalsContact C-N 3.33Å; L37-A39 PolarHBondContact O-N 3.42Å; L37-T40 WeakPolarHBondContact CA-OG1 3.36Å; L37-T40 PolarHBondContact O-N 3.35Å; L37-T40 PolarHBondContact O-OG1 3.16Å; L37-N41 WeakPolarHBondContact O-CB 3.43Å; L37-N41 PolarHBondContact O-N 3.4Å; L37-N41 PolarHBondContact O-ND2 2.88Å; L37-Y99 HydrophobicContact CB-CD1 3.58Å; L37-Y99 HydrophobicContact CB-CE1 3.13Å; L37-Y99 HydrophobicContact CB-CE2 4.34Å; L37-Y99 HydrophobicContact CB-CG 4.36Å; L37-Y99 HydrophobicContact CD1-CE1 3.62Å; L37-Y99 HydrophobicContact CD2-CE1 4.34Å; L37-Y99 HydrophobicContact CG-CE1 3.84Å
38	Y	54.2	Low	57.4	Low	12 Å²	12	69.2 Å²	69.2	5%	0.047	36%	0.355	C	S	.	.	H	α-helix	trans	-61.5	-42.9	175.5	-166.7	-134.4	0	0	0	112.2	E34 L35 T40 N41 T42 F47 V103	E34-Y38 PolarHBondContact O-N 2.82Å; L35-Y38 PolarHBondContact O-N 2.48Å; Y38-T40 PolarHBondContact O-N 3.14Å; Y38-N41 PolarHBondContact O-N 3.29Å; Y38-T42 HydrophobicContact CD2-CG2 3.98Å; Y38-T42 HydrophobicContact CE2-CG2 3.54Å; Y38-T42 PolarHBondContact O-N 3.32Å; Y38-T42 PolarHBondContact O-OG1 3.46Å; Y38-F47 AromaticContact CD1-CD2 3.11Å; Y38-F47 HydrophobicContact CD1-CD2 3.11Å; Y38-F47 AromaticContact CD1-CE2 3.06Å; Y38-F47 HydrophobicContact CD1-CE2 3.06Å; Y38-F47 HydrophobicContact CD1-CG 4.29Å; Y38-F47 HydrophobicContact CD1-CZ 4.19Å; Y38-F47 AromaticContact CE1-CD2 3.27Å; Y38-F47 HydrophobicContact CE1-CD2 3.27Å; Y38-F47 AromaticContact CE1-CE2 3.65Å; Y38-F47 HydrophobicContact CE1-CE2 3.65Å; Y38-F47 HydrophobicContact CE1-CG 4.1Å; Y38-F47 AromaticContact CG-CD2 3.86Å; Y38-F47 HydrophobicContact CG-CD2 3.86Å; Y38-F47 AromaticContact CG-CE2 3.86Å; Y38-F47 HydrophobicContact CG-CE2 3.86Å; Y38-V103 HydrophobicContact CD1-CG2 3.49Å; Y38-V103 VanDerWaalsContact CD1-CG2 3.49Å; Y38-V103 HydrophobicContact CE1-CG2 4.01Å; Y38-V103 HydrophobicContact CG-CG2 4.21Å
39	A	54.2	Low	58.2	Low	33 Å²	33	70.3 Å²	70.3	27%	0.273	36%	0.358	S	S	.	.	H	α-helix	trans	-67.1	-24.4	179	0	0	0	0	0	113.3	V6 L35 V36 L37 F47	V6-A39 HydrophobicContact CG1-CB 4.44Å; L35-A39 WeakPolarHBondContact O-CB 3.29Å; L35-A39 PolarHBondContact O-N 2.97Å; L35-A39 VanDerWaalsContact O-N 3.1Å; V36-A39 PolarHBondContact O-N 3.23Å; L37-A39 VanDerWaalsContact C-N 3.33Å; L37-A39 PolarHBondContact O-N 3.42Å; A39-F47 HydrophobicContact CB-CD2 4.38Å; A39-F47 HydrophobicContact CB-CE2 3.94Å; A39-F47 HydrophobicContact CB-CZ 4.35Å
40	T	59.3	Low	58.9	Low	96 Å²	96	65 Å²	65	59%	0.589	33%	0.331	S	S	*	.	H	α-helix	trans	-89.5	-27.1	178.4	50.3	0	0	0	0	113.3	V36 L37 Y38	V36-T40 WeakPolarHBondContact O-CG2 3.24Å; V36-T40 PolarHBondContact O-N 3.26Å; V36-T40 VanDerWaalsContact O-N 3.16Å; V36-T40 PolarHBondContact O-OG1 2.84Å; V36-T40 VanDerWaalsContact O-OG1 3.09Å; L37-T40 WeakPolarHBondContact CA-OG1 3.36Å; L37-T40 PolarHBondContact O-N 3.35Å; L37-T40 PolarHBondContact O-OG1 3.16Å; Y38-T40 PolarHBondContact O-N 3.14Å
41	N	56.9	Low	59.6	Low	102 Å²	102	59.8 Å²	59.8	55%	0.545	31%	0.306	S	S	.	.	H	α-helix	trans	-95.1	-9.5	-175.5	-71.2	-29.9	0	0	0	115.2	L37 Y38	L37-N41 WeakPolarHBondContact O-CB 3.43Å; L37-N41 PolarHBondContact O-N 3.4Å; L37-N41 PolarHBondContact O-ND2 2.88Å; Y38-N41 PolarHBondContact O-N 3.29Å
42	T	58.6	Low	60.5	Low	26 Å²	26	62.6 Å²	62.6	16%	0.16	32%	0.321	C	S	.	.	S	Bend	trans	-117.7	153.3	177.5	57	0	0	0	0	111.3	Y38 F47	Y38-T42 HydrophobicContact CD2-CG2 3.98Å; Y38-T42 HydrophobicContact CE2-CG2 3.54Å; Y38-T42 PolarHBondContact O-N 3.32Å; Y38-T42 PolarHBondContact O-OG1 3.46Å; T42-F47 WeakPolarHBondContact OG1-CB 3.1Å
43	T	64	Low	61.7	Low	78 Å²	78	63 Å²	63	48%	0.479	32%	0.319	S	S	.	.			trans	-64.5	144.3	169.1	62	0	0	0	0	109.1	K45 Q46 F47	T43-K45 CarbonylContact O-C 3.56Å; T43-K45 PolarHBondContact O-N 2.67Å; T43-Q46 WeakPolarHBondContact O-CA 3.28Å; T43-Q46 PolarHBondContact O-N 3.02Å; T43-Q46 WeakPolarHBondContact OG1-CB 3.37Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.19Å; T43-Q46 PolarHBondContact OG1-N 2.93Å; T43-Q46 PolarHBondContact OG1-OE1 3.38Å; T43-F47 PolarHBondContact O-N 3.03Å
44	E	59	Low	62.6	Low	91 Å²	91	56.9 Å²	56.9	43%	0.425	29%	0.29	S	S	.	.	H	α-helix	trans	-48.9	-36.5	178.4	-177.6	-176.7	172	0	0	112.1	R48	E44-R48 WeakPolarHBondContact O-CB 3.24Å; E44-R48 WeakPolarHBondContact O-CG 3.33Å; E44-R48 PolarHBondContact O-N 3.27Å; E44-R48 IonicContact OE1-CZ 2.61Å; E44-R48 VanDerWaalsContact OE1-CZ 3.31Å; E44-R48 IonicContact OE1-NE 2.67Å; E44-R48 PolarHBondContact OE1-NE 2.92Å; E44-R48 IonicContact OE1-NH2 3.11Å; E44-R48 PolarHBondContact OE1-NH2 2.87Å
45	K	63	Low	63.7	Low	146 Å²	146	56.9 Å²	56.9	64%	0.635	29%	0.29	S	S	*	.	H	α-helix	trans	-64.6	-50.9	175.1	-173.1	178.6	178.1	-175.9	0	112	T43 F47 R48 D49	T43-K45 CarbonylContact O-C 3.56Å; T43-K45 PolarHBondContact O-N 2.67Å; K45-F47 VanDerWaalsContact C-N 3.32Å; K45-F47 PolarHBondContact O-N 3.46Å; K45-R48 PolarHBondContact O-N 3.31Å; K45-D49 VanDerWaalsContact O-CB 3.31Å; K45-D49 WeakPolarHBondContact O-CB 3.45Å; K45-D49 PolarHBondContact O-N 3.44Å
46	Q	64.9	Low	64.9	Low	107 Å²	107	58.1 Å²	58.1	50%	0.5	30%	0.297	S	S	.	.	H	α-helix	trans	-61.5	-40.4	178.2	-74.6	165.4	-42.2	0	0	112.4	T43 G50	T43-Q46 WeakPolarHBondContact O-CA 3.28Å; T43-Q46 PolarHBondContact O-N 3.02Å; T43-Q46 WeakPolarHBondContact OG1-CB 3.37Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.19Å; T43-Q46 PolarHBondContact OG1-N 2.93Å; T43-Q46 PolarHBondContact OG1-OE1 3.38Å; Q46-G50 PolarHBondContact O-N 3.3Å
47	F	60.4	Low	66.4	Low	9 Å²	9	55.9 Å²	55.9	4%	0.039	28%	0.281	C	S	.	.	H	α-helix	trans	-59.1	-52.6	174.6	-176.9	-92.8	0	0	0	111.4	L9 Y38 A39 T42 T43 K45 G50 I51	L9-F47 HydrophobicContact CD2-CE1 4.42Å; Y38-F47 AromaticContact CD1-CD2 3.11Å; Y38-F47 HydrophobicContact CD1-CD2 3.11Å; Y38-F47 AromaticContact CD1-CE2 3.06Å; Y38-F47 HydrophobicContact CD1-CE2 3.06Å; Y38-F47 HydrophobicContact CD1-CG 4.29Å; Y38-F47 HydrophobicContact CD1-CZ 4.19Å; Y38-F47 AromaticContact CE1-CD2 3.27Å; Y38-F47 HydrophobicContact CE1-CD2 3.27Å; Y38-F47 AromaticContact CE1-CE2 3.65Å; Y38-F47 HydrophobicContact CE1-CE2 3.65Å; Y38-F47 HydrophobicContact CE1-CG 4.1Å; Y38-F47 AromaticContact CG-CD2 3.86Å; Y38-F47 HydrophobicContact CG-CD2 3.86Å; Y38-F47 AromaticContact CG-CE2 3.86Å; Y38-F47 HydrophobicContact CG-CE2 3.86Å; A39-F47 HydrophobicContact CB-CD2 4.38Å; A39-F47 HydrophobicContact CB-CE2 3.94Å; A39-F47 HydrophobicContact CB-CZ 4.35Å; T42-F47 WeakPolarHBondContact OG1-CB 3.1Å; T43-F47 PolarHBondContact O-N 3.03Å; K45-F47 VanDerWaalsContact C-N 3.32Å; K45-F47 PolarHBondContact O-N 3.46Å; F47-G50 PolarHBondContact O-N 3.4Å; F47-I51 HydrophobicContact CD1-CD1 3.7Å; F47-I51 HydrophobicContact CE1-CD1 3.16Å; F47-I51 HydrophobicContact CE1-CG1 4.32Å; F47-I51 HydrophobicContact CE2-CD1 4.42Å; F47-I51 HydrophobicContact CZ-CD1 3.58Å; F47-I51 WeakPolarHBondContact O-CG1 3.27Å; F47-I51 PolarHBondContact O-N 3.06Å
48	R	63.1	Low	67.7	Low	71 Å²	71	53 Å²	53	27%	0.268	27%	0.265	S	S	.	.	H	α-helix	trans	-61.1	-48.3	178.6	-75.2	174.6	-177.4	-86.7	6	111.9	F5 E44 K45 G50 I51 I52	F5-R48 VanDerWaalsContact CE1-NH2 3.3Å; E44-R48 WeakPolarHBondContact O-CB 3.24Å; E44-R48 WeakPolarHBondContact O-CG 3.33Å; E44-R48 PolarHBondContact O-N 3.27Å; E44-R48 IonicContact OE1-CZ 2.61Å; E44-R48 VanDerWaalsContact OE1-CZ 3.31Å; E44-R48 IonicContact OE1-NE 2.67Å; E44-R48 PolarHBondContact OE1-NE 2.92Å; E44-R48 IonicContact OE1-NH2 3.11Å; E44-R48 PolarHBondContact OE1-NH2 2.87Å; K45-R48 PolarHBondContact O-N 3.31Å; R48-G50 PolarHBondContact O-N 3.48Å; R48-I51 PolarHBondContact O-N 3.16Å; R48-I52 VanDerWaalsContact O-CG1 3.29Å; R48-I52 WeakPolarHBondContact O-CG1 3.27Å; R48-I52 PolarHBondContact O-N 3.04Å
49	D	67.8	Low	69	Low	56 Å²	56	53 Å²	53	30%	0.299	27%	0.268	S	S	.	.	H	α-helix	trans	-61.1	-37.2	178.8	-66.2	-7.6	0	0	0	110.6	K45 R53	K45-D49 VanDerWaalsContact O-CB 3.31Å; K45-D49 WeakPolarHBondContact O-CB 3.45Å; K45-D49 PolarHBondContact O-N 3.44Å; D49-R53 WeakPolarHBondContact O-CB 3.46Å; D49-R53 VanDerWaalsContact O-CG 3.27Å; D49-R53 WeakPolarHBondContact O-CG 3.32Å; D49-R53 PolarHBondContact O-N 2.85Å; D49-R53 VanDerWaalsContact O-N 3.14Å; D49-R53 PolarHBondContact O-NE 3.37Å
50	G	68.5	Low	70.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-64	-47.5	174.3	0	0	0	0	0	113.2	Q46 F47 R48 R53 L54	Q46-G50 PolarHBondContact O-N 3.3Å; F47-G50 PolarHBondContact O-N 3.4Å; R48-G50 PolarHBondContact O-N 3.48Å; G50-R53 PolarHBondContact O-N 2.98Å; G50-L54 PolarHBondContact O-N 2.97Å
51	I	68.8	Low	72.1	Confident	14 Å²	14	49.6 Å²	49.6	7%	0.072	24%	0.241	C	C	.	.	H	α-helix	trans	-62.4	-47	176.8	-71.3	177.4	0	0	0	111.1	I13 F47 R48 R53 L54 E55 V103 I107	I13-I51 HydrophobicContact CD1-CD1 3.92Å; F47-I51 HydrophobicContact CD1-CD1 3.7Å; F47-I51 HydrophobicContact CE1-CD1 3.16Å; F47-I51 HydrophobicContact CE1-CG1 4.32Å; F47-I51 HydrophobicContact CE2-CD1 4.42Å; F47-I51 HydrophobicContact CZ-CD1 3.58Å; F47-I51 WeakPolarHBondContact O-CG1 3.27Å; F47-I51 PolarHBondContact O-N 3.06Å; R48-I51 PolarHBondContact O-N 3.16Å; I51-R53 VanDerWaalsContact C-N 3.27Å; I51-R53 PolarHBondContact O-N 2.94Å; I51-L54 PolarHBondContact O-N 2.82Å; I51-L54 VanDerWaalsContact O-N 3.16Å; I51-E55 HydrophobicContact CG2-CG 4.07Å; I51-E55 WeakPolarHBondContact O-CB 3.49Å; I51-E55 WeakPolarHBondContact O-CG 3.41Å; I51-E55 PolarHBondContact O-N 3.44Å; I51-V103 HydrophobicContact CG1-CG1 3.96Å; I51-I107 HydrophobicContact CG2-CD1 4.28Å
52	I	69.7	Low	73.6	Confident	78 Å²	78	45.9 Å²	45.9	40%	0.4	22%	0.219	S	C	.	.	H	α-helix	trans	-58	-43.4	179.6	-69.7	165.3	0	0	0	110.3	R48 E55 N56	R48-I52 VanDerWaalsContact O-CG1 3.29Å; R48-I52 WeakPolarHBondContact O-CG1 3.27Å; R48-I52 PolarHBondContact O-N 3.04Å; I52-E55 PolarHBondContact O-N 3.4Å; I52-N56 WeakPolarHBondContact O-CB 3.26Å; I52-N56 VanDerWaalsContact O-CG 3.26Å; I52-N56 PolarHBondContact O-N 3.02Å
53	R	77.9	Confident	75	Confident	90 Å²	90	46.2 Å²	46.2	34%	0.34	22%	0.22	S	C	.	.	H	α-helix	trans	-65.2	-39.9	177.5	-72.8	-176.3	-69.1	-109.6	1.3	113.2	D49 G50 I51 N56 K57 M91	D49-R53 WeakPolarHBondContact O-CB 3.46Å; D49-R53 VanDerWaalsContact O-CG 3.27Å; D49-R53 WeakPolarHBondContact O-CG 3.32Å; D49-R53 PolarHBondContact O-N 2.85Å; D49-R53 VanDerWaalsContact O-N 3.14Å; D49-R53 PolarHBondContact O-NE 3.37Å; G50-R53 PolarHBondContact O-N 2.98Å; I51-R53 VanDerWaalsContact C-N 3.27Å; I51-R53 PolarHBondContact O-N 2.94Å; R53-N56 PolarHBondContact O-N 3.29Å; R53-K57 WeakPolarHBondContact O-CB 3.43Å; R53-K57 PolarHBondContact O-N 2.96Å; R53-M91 VanDerWaalsContact CD-O 3.23Å; R53-M91 WeakPolarHBondContact CD-O 3.32Å
54	L	78	Confident	76.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.6	-45	174.1	-74.9	170.6	0	0	0	111.9	G50 I51 N56 K57 Y58 Y100 V103 E104 I107	G50-L54 PolarHBondContact O-N 2.97Å; I51-L54 PolarHBondContact O-N 2.82Å; I51-L54 VanDerWaalsContact O-N 3.16Å; L54-N56 VanDerWaalsContact C-N 3.28Å; L54-N56 PolarHBondContact O-N 3.34Å; L54-K57 WeakPolarHBondContact O-CB 3.17Å; L54-K57 PolarHBondContact O-N 3.39Å; L54-Y58 HydrophobicContact CD2-CE2 4.22Å; L54-Y58 VanDerWaalsContact O-CD2 3.26Å; L54-Y58 WeakPolarHBondContact O-CD2 3.3Å; L54-Y58 PolarHBondContact O-N 2.74Å; L54-Y100 HydrophobicContact CD1-CD2 4.39Å; L54-Y100 HydrophobicContact CD1-CE1 4.15Å; L54-Y100 HydrophobicContact CD1-CE2 3.73Å; L54-Y100 HydrophobicContact CD2-CE1 3.85Å; L54-Y100 WeakPolarHBondContact CD2-OH 3.49Å; L54-Y100 HydrophobicContact CG-CE1 4.28Å; L54-Y100 HydrophobicContact CG-CE2 4.14Å; L54-Y100 WeakPolarHBondContact CG-OH 3.43Å; L54-V103 HydrophobicContact CD1-CB 4.33Å; L54-V103 HydrophobicContact CD1-CG1 3.8Å; L54-E104 HydrophobicContact CD1-CB 4.08Å; L54-E104 HydrophobicContact CD2-CB 3.85Å; L54-E104 HydrophobicContact CD2-CG 3.95Å; L54-I107 HydrophobicContact CB-CD1 3.48Å; L54-I107 VanDerWaalsContact CB-CD1 3.48Å; L54-I107 HydrophobicContact CB-CG2 4.38Å; L54-I107 HydrophobicContact CD1-CD1 3.9Å; L54-I107 HydrophobicContact CG-CD1 4.34Å
55	E	78.7	Confident	77.8	Confident	33 Å²	33	40.4 Å²	40.4	15%	0.154	19%	0.189	C	C	.	.	H	α-helix	trans	-57.4	-44.5	175.2	-72.5	-76.4	-175.3	0	0	110.4	I51 I52 Y58 A59 I107 K110 W111	I51-E55 HydrophobicContact CG2-CG 4.07Å; I51-E55 WeakPolarHBondContact O-CB 3.49Å; I51-E55 WeakPolarHBondContact O-CG 3.41Å; I51-E55 PolarHBondContact O-N 3.44Å; I52-E55 PolarHBondContact O-N 3.4Å; E55-Y58 PolarHBondContact O-N 3.35Å; E55-A59 WeakPolarHBondContact O-CB 3.46Å; E55-A59 PolarHBondContact O-N 2.75Å; E55-I107 HydrophobicContact CG-CD1 4.3Å; E55-I107 HydrophobicContact CG-CG2 4.44Å; E55-K110 IonicContact OE1-NZ 3.31Å; E55-K110 PolarHBondContact OE1-NZ 2.85Å; E55-K110 IonicContact OE2-NZ 3.62Å; E55-K110 PolarHBondContact OE2-NZ 2.9Å; E55-W111 PolarHBondContact OE2-NE1 3.36Å
56	N	79.6	Confident	78.8	Confident	31 Å²	31	34.7 Å²	34.7	17%	0.166	17%	0.165	C	C	.	.	H	α-helix	trans	-66.8	-39.2	178.4	-72.8	-12	0	0	0	112.6	I52 R53 L54 A60 L266 E269	I52-N56 WeakPolarHBondContact O-CB 3.26Å; I52-N56 VanDerWaalsContact O-CG 3.26Å; I52-N56 PolarHBondContact O-N 3.02Å; R53-N56 PolarHBondContact O-N 3.29Å; L54-N56 VanDerWaalsContact C-N 3.28Å; L54-N56 PolarHBondContact O-N 3.34Å; N56-A60 WeakPolarHBondContact O-CB 3.38Å; N56-A60 PolarHBondContact O-N 3.39Å; N56-L266 HydrophobicContact CB-CD2 4.48Å; N56-E269 PolarHBondContact ND2-OE2 2.81Å; N56-E269 PolarHBondContact OD1-OE2 2.9Å
57	K	88.5	Confident	79.8	Confident	32 Å²	32	31 Å²	31	14%	0.139	15%	0.147	C	C	.	.	H	α-helix	trans	-58.7	-53.8	173.3	176.2	-173.7	175.1	-175.3	0	111.5	R53 L54 A60 E61 Y85 A88 E104	R53-K57 WeakPolarHBondContact O-CB 3.43Å; R53-K57 PolarHBondContact O-N 2.96Å; L54-K57 WeakPolarHBondContact O-CB 3.17Å; L54-K57 PolarHBondContact O-N 3.39Å; K57-A60 PolarHBondContact O-N 2.78Å; K57-E61 PolarHBondContact O-N 3.42Å; K57-Y85 HydrophobicContact CG-CE2 4.27Å; K57-A88 HydrophobicContact CB-CB 4.49Å; K57-E104 IonicContact NZ-OE1 3.22Å; K57-E104 PolarHBondContact NZ-OE1 3.34Å
58	Y	87	Confident	81.2	Confident	7 Å²	7	35.1 Å²	35.1	3%	0.027	17%	0.165	C	C	.	.	H	α-helix	trans	-77	-26	-175.7	-74.2	-67.1	0	0	0	113.7	L54 E55 E61 W62 E104 I107 R108	L54-Y58 HydrophobicContact CD2-CE2 4.22Å; L54-Y58 VanDerWaalsContact O-CD2 3.26Å; L54-Y58 WeakPolarHBondContact O-CD2 3.3Å; L54-Y58 PolarHBondContact O-N 2.74Å; E55-Y58 PolarHBondContact O-N 3.35Å; Y58-E61 WeakPolarHBondContact CD1-OE2 3Å; Y58-E61 WeakPolarHBondContact CE1-OE2 3.08Å; Y58-E61 PolarHBondContact O-N 3.41Å; Y58-W62 VanDerWaalsContact O-CB 3.32Å; Y58-W62 WeakPolarHBondContact O-CB 3.5Å; Y58-W62 PolarHBondContact O-N 3.48Å; Y58-E104 HydrophobicContact CE2-CG 3.83Å; Y58-E104 WeakPolarHBondContact OH-CG 3.33Å; Y58-E104 PolarHBondContact OH-OE1 2.88Å; Y58-I107 HydrophobicContact CD2-CB 4.25Å; Y58-I107 HydrophobicContact CD2-CG2 3.56Å; Y58-I107 HydrophobicContact CE2-CG2 4.4Å; Y58-I107 HydrophobicContact CG-CG2 4.19Å; Y58-R108 HydrophobicContact CD1-CB 4.16Å; Y58-R108 HydrophobicContact CD1-CG 4.09Å; Y58-R108 HydrophobicContact CE1-CB 3.65Å; Y58-R108 HydrophobicContact CE1-CG 3.5Å; Y58-R108 VanDerWaalsContact CE1-CG 3.5Å; Y58-R108 HydrophobicContact CE2-CB 4.09Å
59	A	81.3	Confident	82.3	Confident	12 Å²	12	36.6 Å²	36.6	10%	0.099	18%	0.178	C	C	.	.	H	α-helix	trans	-62.2	-46.8	166.7	0	0	0	0	0	110.9	E55 E61 W62 I63 W111	E55-A59 WeakPolarHBondContact O-CB 3.46Å; E55-A59 PolarHBondContact O-N 2.75Å; A59-E61 VanDerWaalsContact C-N 3.33Å; A59-E61 PolarHBondContact O-N 3.12Å; A59-W62 PolarHBondContact O-N 3.49Å; A59-I63 WeakPolarHBondContact O-CG1 3.45Å; A59-I63 PolarHBondContact O-N 3.39Å; A59-W111 HydrophobicContact CB-CH2 3.57Å; A59-W111 HydrophobicContact CB-CZ2 3.48Å; A59-W111 VanDerWaalsContact CB-CZ2 3.48Å; A59-W111 HydrophobicContact CB-CZ3 4.17Å
60	A	87.4	Confident	82.7	Confident	9 Å²	9	38 Å²	38	7%	0.074	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-38.1	177.8	0	0	0	0	0	112.1	N56 K57 I63 L64 Y85 A88	N56-A60 WeakPolarHBondContact O-CB 3.38Å; N56-A60 PolarHBondContact O-N 3.39Å; K57-A60 PolarHBondContact O-N 2.78Å; A60-I63 PolarHBondContact O-N 2.86Å; A60-L64 WeakPolarHBondContact O-CB 3.27Å; A60-L64 PolarHBondContact O-N 2.88Å; A60-L64 VanDerWaalsContact O-N 3.08Å; A60-Y85 HydrophobicContact CB-CD2 4.43Å; A60-A88 HydrophobicContact CB-CB 4.14Å
61	E	91.9	Very high	83.4	Confident	48 Å²	48	40.7 Å²	40.7	22%	0.224	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-48.1	173.2	-165.3	167.6	-165.2	0	0	111.6	K57 Y58 A59 I63 L64 D65 Y85	K57-E61 PolarHBondContact O-N 3.42Å; Y58-E61 WeakPolarHBondContact CD1-OE2 3Å; Y58-E61 WeakPolarHBondContact CE1-OE2 3.08Å; Y58-E61 PolarHBondContact O-N 3.41Å; A59-E61 VanDerWaalsContact C-N 3.33Å; A59-E61 PolarHBondContact O-N 3.12Å; E61-I63 PolarHBondContact O-N 2.84Å; E61-L64 WeakPolarHBondContact O-CB 3.34Å; E61-L64 PolarHBondContact O-N 2.65Å; E61-D65 WeakPolarHBondContact O-CB 3.07Å; E61-D65 PolarHBondContact O-N 3.46Å; E61-Y85 HydrophobicContact CB-CD2 3.67Å; E61-Y85 HydrophobicContact CB-CE2 3.51Å; E61-Y85 HydrophobicContact CG-CD2 4.22Å; E61-Y85 HydrophobicContact CG-CE2 3.76Å
62	W	88	Confident	84.2	Confident	25 Å²	25	43.5 Å²	43.5	10%	0.095	22%	0.218	C	C	.	.	H	α-helix	trans	-57.2	-47.1	176.8	162.5	78.8	0	0	0	111.9	Y58 A59 L64 D65 L66 W111 D118	Y58-W62 VanDerWaalsContact O-CB 3.32Å; Y58-W62 WeakPolarHBondContact O-CB 3.5Å; Y58-W62 PolarHBondContact O-N 3.48Å; A59-W62 PolarHBondContact O-N 3.49Å; W62-L64 VanDerWaalsContact C-N 3.34Å; W62-L64 PolarHBondContact O-N 2.83Å; W62-D65 PolarHBondContact O-N 3.47Å; W62-L66 HydrophobicContact CH2-CD2 4.42Å; W62-L66 HydrophobicContact CZ2-CD2 3.67Å; W62-L66 WeakPolarHBondContact O-CB 3.35Å; W62-L66 PolarHBondContact O-N 2.95Å; W62-W111 HydrophobicContact CB-CD2 4.44Å; W62-W111 HydrophobicContact CB-CE3 3.6Å; W62-W111 HydrophobicContact CB-CZ3 4.15Å; W62-W111 AromaticContact CD2-CE3 4Å; W62-W111 HydrophobicContact CD2-CE3 4Å; W62-W111 AromaticContact CD2-CZ3 3.73Å; W62-W111 HydrophobicContact CD2-CZ3 3.73Å; W62-W111 HydrophobicContact CE3-CE3 4.21Å; W62-W111 HydrophobicContact CE3-CH2 4.42Å; W62-W111 AromaticContact CE3-CZ3 3.55Å; W62-W111 HydrophobicContact CE3-CZ3 3.55Å; W62-W111 AromaticContact CG-CE3 3.7Å; W62-W111 HydrophobicContact CG-CE3 3.7Å; W62-W111 AromaticContact CG-CZ3 3.97Å; W62-W111 HydrophobicContact CG-CZ3 3.97Å; W62-W111 HydrophobicContact CZ3-CZ3 4.27Å; W62-D118 VanDerWaalsContact CE2-OD2 3.29Å; W62-D118 WeakPolarHBondContact CZ2-OD2 3.1Å; W62-D118 PolarHBondContact NE1-OD2 3.29Å
63	I	87.2	Confident	85	Confident	32 Å²	32	46.4 Å²	46.4	16%	0.164	23%	0.234	C	C	.	.	H	α-helix	trans	-58.7	-48.7	177.4	-67.5	171.4	0	0	0	110.3	A59 A60 E61 F67 Y81	A59-I63 WeakPolarHBondContact O-CG1 3.45Å; A59-I63 PolarHBondContact O-N 3.39Å; A60-I63 PolarHBondContact O-N 2.86Å; E61-I63 PolarHBondContact O-N 2.84Å; I63-F67 WeakPolarHBondContact O-CB 2.96Å; I63-F67 PolarHBondContact O-N 2.8Å; I63-Y81 HydrophobicContact CG2-CD1 3.42Å; I63-Y81 VanDerWaalsContact CG2-CD1 3.42Å; I63-Y81 HydrophobicContact CG2-CD2 4.1Å; I63-Y81 HydrophobicContact CG2-CE1 3.51Å; I63-Y81 HydrophobicContact CG2-CE2 4.15Å; I63-Y81 HydrophobicContact CG2-CG 3.75Å
64	L	91.2	Very high	85.5	Confident	8 Å²	8	44.6 Å²	44.6	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-59	-50.1	-179.5	173.6	60.5	0	0	0	111.3	A60 E61 W62 F67 K68 L78 Y85	A60-L64 WeakPolarHBondContact O-CB 3.27Å; A60-L64 PolarHBondContact O-N 2.88Å; A60-L64 VanDerWaalsContact O-N 3.08Å; E61-L64 WeakPolarHBondContact O-CB 3.34Å; E61-L64 PolarHBondContact O-N 2.65Å; W62-L64 VanDerWaalsContact C-N 3.34Å; W62-L64 PolarHBondContact O-N 2.83Å; L64-F67 PolarHBondContact O-N 3.25Å; L64-K68 HydrophobicContact CD1-CG 4.41Å; L64-K68 HydrophobicContact CG-CD 4.45Å; L64-K68 WeakPolarHBondContact O-CG 3.48Å; L64-K68 PolarHBondContact O-N 2.87Å; L64-L78 HydrophobicContact CD1-CD2 4.48Å; L64-Y85 HydrophobicContact CD2-CD1 4.29Å; L64-Y85 HydrophobicContact CD2-CG 4.33Å
65	D	91.1	Very high	85.9	Confident	40 Å²	40	54.3 Å²	54.3	21%	0.214	27%	0.268	C	S	.	.	H	α-helix	trans	-71.9	-36.1	-176.5	-76.1	-12.1	0	0	0	112.6	E61 W62 F67 K68 N69 L115	E61-D65 WeakPolarHBondContact O-CB 3.07Å; E61-D65 PolarHBondContact O-N 3.46Å; W62-D65 PolarHBondContact O-N 3.47Å; D65-F67 VanDerWaalsContact C-N 3.32Å; D65-F67 PolarHBondContact O-N 3.4Å; D65-K68 IonicContact OD1-NZ 2.75Å; D65-K68 PolarHBondContact OD1-NZ 2.9Å; D65-N69 PolarHBondContact O-N 3.35Å; D65-N69 PolarHBondContact O-ND2 2.97Å; D65-L115 HydrophobicContact CB-CD1 4.18Å; D65-L115 HydrophobicContact CB-CD2 3.87Å
66	L	84.4	Confident	86.2	Confident	25 Å²	25	58.9 Å²	58.9	13%	0.131	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-46.9	171.9	-176.9	62.1	0	0	0	110.4	W62 N69 I70 L115 D118 L119	W62-L66 HydrophobicContact CH2-CD2 4.42Å; W62-L66 HydrophobicContact CZ2-CD2 3.67Å; W62-L66 WeakPolarHBondContact O-CB 3.35Å; W62-L66 PolarHBondContact O-N 2.95Å; L66-N69 PolarHBondContact O-N 3.43Å; L66-I70 HydrophobicContact CD1-CD1 3.64Å; L66-I70 HydrophobicContact CD1-CG1 4.23Å; L66-I70 HydrophobicContact CD2-CD1 4.32Å; L66-I70 HydrophobicContact CG-CD1 3.62Å; L66-I70 HydrophobicContact CG-CG1 4.49Å; L66-I70 WeakPolarHBondContact O-CG1 3.4Å; L66-I70 PolarHBondContact O-N 3.45Å; L66-L115 HydrophobicContact CB-CD1 3.98Å; L66-L115 HydrophobicContact CD1-CD1 4.37Å; L66-D118 HydrophobicContact CD1-CB 3.69Å; L66-D118 HydrophobicContact CD2-CB 4.16Å; L66-L119 HydrophobicContact CD1-CD2 3.97Å; L66-L119 HydrophobicContact CD1-CG 4.41Å
67	F	85.4	Confident	86.3	Confident	31 Å²	31	60.4 Å²	60.4	14%	0.136	30%	0.302	C	S	.	.	H	α-helix	trans	-69.7	-37.9	-177.7	-158.1	-97.5	0	0	0	112.8	I63 L64 D65 N69 I70 N71 D74 L77 L78 Y81	I63-F67 WeakPolarHBondContact O-CB 2.96Å; I63-F67 PolarHBondContact O-N 2.8Å; L64-F67 PolarHBondContact O-N 3.25Å; D65-F67 VanDerWaalsContact C-N 3.32Å; D65-F67 PolarHBondContact O-N 3.4Å; F67-N69 PolarHBondContact O-N 3.49Å; F67-I70 PolarHBondContact O-N 3.32Å; F67-N71 HydrophobicContact CE1-CB 4.09Å; F67-N71 HydrophobicContact CE2-CB 4.28Å; F67-N71 HydrophobicContact CZ-CB 3.9Å; F67-N71 CarbonylContact O-C 3.57Å; F67-N71 PolarHBondContact O-N 2.92Å; F67-D74 HydrophobicContact CE1-CB 3.89Å; F67-D74 HydrophobicContact CZ-CB 4.14Å; F67-L77 HydrophobicContact CD1-CB 4.25Å; F67-L77 HydrophobicContact CE1-CB 3.45Å; F67-L77 VanDerWaalsContact CE1-CB 3.45Å; F67-L77 HydrophobicContact CE1-CD1 4.12Å; F67-L77 HydrophobicContact CE1-CG 4.43Å; F67-L77 HydrophobicContact CE2-CD1 4.06Å; F67-L77 HydrophobicContact CZ-CB 3.69Å; F67-L77 HydrophobicContact CZ-CD1 3.42Å; F67-L77 VanDerWaalsContact CZ-CD1 3.42Å; F67-L77 HydrophobicContact CZ-CG 4.2Å; F67-L78 HydrophobicContact CD1-CD2 3.76Å; F67-L78 HydrophobicContact CD1-CG 3.96Å; F67-L78 HydrophobicContact CE1-CG 4.34Å; F67-Y81 HydrophobicContact CB-CD2 3.88Å; F67-Y81 HydrophobicContact CB-CE2 3.96Å; F67-Y81 AromaticContact CD1-CD2 3.99Å; F67-Y81 HydrophobicContact CD1-CD2 3.99Å; F67-Y81 AromaticContact CD1-CE2 3.92Å; F67-Y81 HydrophobicContact CD1-CE2 3.92Å; F67-Y81 HydrophobicContact CD2-CD2 4.44Å; F67-Y81 AromaticContact CD2-CE2 3.72Å; F67-Y81 HydrophobicContact CD2-CE2 3.72Å; F67-Y81 HydrophobicContact CE1-CE2 4.36Å; F67-Y81 HydrophobicContact CE2-CE2 4.18Å; F67-Y81 AromaticContact CG-CD2 3.85Å; F67-Y81 HydrophobicContact CG-CD2 3.85Å; F67-Y81 AromaticContact CG-CE2 3.58Å; F67-Y81 HydrophobicContact CG-CE2 3.58Å; F67-Y81 HydrophobicContact CZ-CE2 4.49Å
68	K	89.4	Confident	86.3	Confident	95 Å²	95	60.4 Å²	60.4	41%	0.413	30%	0.303	S	S	.	.	H	α-helix	trans	-53.6	-37.4	170.2	-77.3	174.8	-167.3	153.6	0	112.4	L64 D65 P72 L78	L64-K68 HydrophobicContact CD1-CG 4.41Å; L64-K68 HydrophobicContact CG-CD 4.45Å; L64-K68 WeakPolarHBondContact O-CG 3.48Å; L64-K68 PolarHBondContact O-N 2.87Å; D65-K68 IonicContact OD1-NZ 2.75Å; D65-K68 PolarHBondContact OD1-NZ 2.9Å; K68-P72 WeakPolarHBondContact O-CB 3.07Å; K68-L78 HydrophobicContact CB-CD2 4.24Å; K68-L78 HydrophobicContact CG-CD2 3.56Å
69	N	86.2	Confident	86.5	Confident	101 Å²	101	65.1 Å²	65.1	54%	0.54	33%	0.325	S	S	.	.	H	α-helix	trans	-81.9	-36.9	-178.8	-80.4	-81	0	0	0	113.3	D65 L66 F67 L119	D65-N69 PolarHBondContact O-N 3.35Å; D65-N69 PolarHBondContact O-ND2 2.97Å; L66-N69 PolarHBondContact O-N 3.43Å; F67-N69 PolarHBondContact O-N 3.49Å; N69-L119 HydrophobicContact CB-CD2 3.29Å
70	I	77.5	Confident	86.8	Confident	85 Å²	85	67.6 Å²	67.6	44%	0.436	34%	0.339	S	S	.	.	H	α-helix	trans	-83.3	-42.3	-176.2	-60.6	167.4	0	0	0	111.8	L66 F67 N122	L66-I70 HydrophobicContact CD1-CD1 3.64Å; L66-I70 HydrophobicContact CD1-CG1 4.23Å; L66-I70 HydrophobicContact CD2-CD1 4.32Å; L66-I70 HydrophobicContact CG-CD1 3.62Å; L66-I70 HydrophobicContact CG-CG1 4.49Å; L66-I70 WeakPolarHBondContact O-CG1 3.4Å; L66-I70 PolarHBondContact O-N 3.45Å; F67-I70 PolarHBondContact O-N 3.32Å; I70-N122 WeakPolarHBondContact CD1-ND2 3.18Å; I70-N122 HydrophobicContact CG1-CB 4.44Å
71	N	82	Confident	86.9	Confident	58 Å²	58	67.8 Å²	67.8	31%	0.31	34%	0.338	S	S	.	.			trans	-138.5	67.6	-174	-166.3	2.9	0	0	0	111.5	F67 N73 D74	F67-N71 HydrophobicContact CE1-CB 4.09Å; F67-N71 HydrophobicContact CE2-CB 4.28Å; F67-N71 HydrophobicContact CZ-CB 3.9Å; F67-N71 CarbonylContact O-C 3.57Å; F67-N71 PolarHBondContact O-N 2.92Å; N71-N73 PolarHBondContact O-N 2.98Å; N71-D74 WeakPolarHBondContact ND2-CB 3.31Å; N71-D74 PolarHBondContact O-N 3.31Å
72	P	86.3	Confident	86.8	Confident	74 Å²	74	68 Å²	68	48%	0.481	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.9	-176.5	24.6	-34.7	0	0	0	114.4	K68 L78	K68-P72 WeakPolarHBondContact O-CB 3.07Å; P72-L78 WeakPolarHBondContact O-CD1 3.5Å
73	N	86.7	Confident	87	Confident	138 Å²	138	70.7 Å²	70.7	74%	0.738	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-14	-173.3	-64.3	-38.2	0	0	0	113.4	N71 R75	N71-N73 PolarHBondContact O-N 2.98Å; N73-R75 PolarHBondContact O-N 3.25Å; N73-R75 VanDerWaalsContact O-N 3.1Å
74	D	87	Confident	87	Confident	53 Å²	53	71.9 Å²	71.9	28%	0.283	37%	0.365	S	S	.	.			trans	-85.7	83.4	179.2	-169.2	-27.9	0	0	0	110.2	F67 N71 D76 L77 L78	F67-D74 HydrophobicContact CE1-CB 3.89Å; F67-D74 HydrophobicContact CZ-CB 4.14Å; N71-D74 WeakPolarHBondContact ND2-CB 3.31Å; N71-D74 PolarHBondContact O-N 3.31Å; D74-D76 VanDerWaalsContact C-N 3.3Å; D74-D76 PolarHBondContact O-N 3.4Å; D74-L77 PolarHBondContact OD1-N 3.27Å; D74-L77 WeakPolarHBondContact OD2-CD1 3.34Å; D74-L78 WeakPolarHBondContact O-CB 3.35Å; D74-L78 VanDerWaalsContact O-CG 3.27Å; D74-L78 WeakPolarHBondContact O-CG 3.26Å; D74-L78 PolarHBondContact O-N 3.05Å
75	R	86.9	Confident	87	Confident	203 Å²	203	74.5 Å²	74.5	77%	0.766	38%	0.375	S	S	*	.	H	α-helix	trans	-63.6	-34	-173.4	-66.5	-173.5	178.7	-173.9	-0.3	113	N73 Q79	N73-R75 PolarHBondContact O-N 3.25Å; N73-R75 VanDerWaalsContact O-N 3.1Å; R75-Q79 WeakPolarHBondContact O-CB 3.35Å; R75-Q79 PolarHBondContact O-N 3.32Å
76	D	86.3	Confident	87	Confident	130 Å²	130	78.6 Å²	78.6	70%	0.695	39%	0.391	S	S	*	.	H	α-helix	trans	-70.8	-43.6	-176	-66	-17.4	0	0	0	110.7	D74 Q79 T80	D74-D76 VanDerWaalsContact C-N 3.3Å; D74-D76 PolarHBondContact O-N 3.4Å; D76-Q79 PolarHBondContact O-N 3.02Å; D76-T80 PolarHBondContact O-N 3.46Å; D76-T80 PolarHBondContact O-OG1 3.04Å
77	L	81.7	Confident	87.2	Confident	63 Å²	63	83.6 Å²	83.6	33%	0.33	41%	0.408	S	S	.	.	H	α-helix	trans	-69.3	-39.4	174.5	-75.5	179.6	0	0	0	112.1	F67 D74 Q79 T80 Y81	F67-L77 HydrophobicContact CD1-CB 4.25Å; F67-L77 HydrophobicContact CE1-CB 3.45Å; F67-L77 VanDerWaalsContact CE1-CB 3.45Å; F67-L77 HydrophobicContact CE1-CD1 4.12Å; F67-L77 HydrophobicContact CE1-CG 4.43Å; F67-L77 HydrophobicContact CE2-CD1 4.06Å; F67-L77 HydrophobicContact CZ-CB 3.69Å; F67-L77 HydrophobicContact CZ-CD1 3.42Å; F67-L77 VanDerWaalsContact CZ-CD1 3.42Å; F67-L77 HydrophobicContact CZ-CG 4.2Å; D74-L77 PolarHBondContact OD1-N 3.27Å; D74-L77 WeakPolarHBondContact OD2-CD1 3.34Å; L77-Q79 VanDerWaalsContact C-N 3.31Å; L77-Q79 PolarHBondContact O-N 2.81Å; L77-T80 WeakPolarHBondContact O-CB 3.31Å; L77-T80 PolarHBondContact O-N 2.97Å; L77-Y81 HydrophobicContact CB-CE2 4.18Å; L77-Y81 WeakPolarHBondContact O-CD2 3.1Å; L77-Y81 PolarHBondContact O-N 3.44Å
78	L	87.6	Confident	87.3	Confident	31 Å²	31	82.8 Å²	82.8	16%	0.162	41%	0.407	C	S	.	.	H	α-helix	trans	-60	-41.4	174.2	-75.5	171	0	0	0	112.4	L64 F67 K68 P72 D74 S82	L64-L78 HydrophobicContact CD1-CD2 4.48Å; F67-L78 HydrophobicContact CD1-CD2 3.76Å; F67-L78 HydrophobicContact CD1-CG 3.96Å; F67-L78 HydrophobicContact CE1-CG 4.34Å; K68-L78 HydrophobicContact CB-CD2 4.24Å; K68-L78 HydrophobicContact CG-CD2 3.56Å; P72-L78 WeakPolarHBondContact O-CD1 3.5Å; D74-L78 WeakPolarHBondContact O-CB 3.35Å; D74-L78 VanDerWaalsContact O-CG 3.27Å; D74-L78 WeakPolarHBondContact O-CG 3.26Å; D74-L78 PolarHBondContact O-N 3.05Å; L78-S82 VanDerWaalsContact O-CB 3.27Å; L78-S82 WeakPolarHBondContact O-CB 3.19Å; L78-S82 PolarHBondContact O-N 3.47Å
79	Q	90.4	Very high	87.1	Confident	106 Å²	106	80 Å²	80	50%	0.495	40%	0.399	S	S	.	.	H	α-helix	trans	-62.7	-45.1	175.1	-178.3	60.3	30	0	0	110.9	R75 D76 L77 Y81 S82 E83	R75-Q79 WeakPolarHBondContact O-CB 3.35Å; R75-Q79 PolarHBondContact O-N 3.32Å; D76-Q79 PolarHBondContact O-N 3.02Å; L77-Q79 VanDerWaalsContact C-N 3.31Å; L77-Q79 PolarHBondContact O-N 2.81Å; Q79-Y81 PolarHBondContact O-N 2.78Å; Q79-S82 WeakPolarHBondContact O-CB 3.42Å; Q79-S82 PolarHBondContact O-N 3.42Å; Q79-E83 PolarHBondContact NE2-OE1 2.94Å; Q79-E83 WeakPolarHBondContact O-CG 3.12Å; Q79-E83 PolarHBondContact O-N 2.77Å
80	T	88.7	Confident	87.1	Confident	64 Å²	64	81.4 Å²	81.4	39%	0.393	40%	0.403	S	S	.	.	H	α-helix	trans	-59	-48.7	177.9	-57.5	0	0	0	0	111.7	D76 L77 S82 E83 N84	D76-T80 PolarHBondContact O-N 3.46Å; D76-T80 PolarHBondContact O-OG1 3.04Å; L77-T80 WeakPolarHBondContact O-CB 3.31Å; L77-T80 PolarHBondContact O-N 2.97Å; T80-S82 VanDerWaalsContact C-N 3.34Å; T80-S82 PolarHBondContact O-N 2.9Å; T80-E83 PolarHBondContact O-N 2.95Å; T80-N84 PolarHBondContact O-N 3.06Å
81	Y	88.9	Confident	87	Confident	14 Å²	14	82.3 Å²	82.3	6%	0.055	41%	0.406	C	S	.	.	H	α-helix	trans	-67.8	-34.3	178.2	-63	-44.2	0	0	0	112.6	I63 F67 L77 Q79 E83 N84 Y85	I63-Y81 HydrophobicContact CG2-CD1 3.42Å; I63-Y81 VanDerWaalsContact CG2-CD1 3.42Å; I63-Y81 HydrophobicContact CG2-CD2 4.1Å; I63-Y81 HydrophobicContact CG2-CE1 3.51Å; I63-Y81 HydrophobicContact CG2-CE2 4.15Å; I63-Y81 HydrophobicContact CG2-CG 3.75Å; F67-Y81 HydrophobicContact CB-CD2 3.88Å; F67-Y81 HydrophobicContact CB-CE2 3.96Å; F67-Y81 AromaticContact CD1-CD2 3.99Å; F67-Y81 HydrophobicContact CD1-CD2 3.99Å; F67-Y81 AromaticContact CD1-CE2 3.92Å; F67-Y81 HydrophobicContact CD1-CE2 3.92Å; F67-Y81 HydrophobicContact CD2-CD2 4.44Å; F67-Y81 AromaticContact CD2-CE2 3.72Å; F67-Y81 HydrophobicContact CD2-CE2 3.72Å; F67-Y81 HydrophobicContact CE1-CE2 4.36Å; F67-Y81 HydrophobicContact CE2-CE2 4.18Å; F67-Y81 AromaticContact CG-CD2 3.85Å; F67-Y81 HydrophobicContact CG-CD2 3.85Å; F67-Y81 AromaticContact CG-CE2 3.58Å; F67-Y81 HydrophobicContact CG-CE2 3.58Å; F67-Y81 HydrophobicContact CZ-CE2 4.49Å; L77-Y81 HydrophobicContact CB-CE2 4.18Å; L77-Y81 WeakPolarHBondContact O-CD2 3.1Å; L77-Y81 PolarHBondContact O-N 3.44Å; Q79-Y81 PolarHBondContact O-N 2.78Å; Y81-E83 VanDerWaalsContact C-N 3.32Å; Y81-E83 PolarHBondContact O-N 3.02Å; Y81-N84 PolarHBondContact O-N 3.02Å; Y81-Y85 PolarHBondContact O-N 2.7Å
82	S	90.9	Very high	86.4	Confident	52 Å²	52	80 Å²	80	36%	0.364	40%	0.395	S	S	.	.	H	α-helix	trans	-63.6	-39	173.7	-172.4	0	0	0	0	111.9	L78 Q79 T80 K86	L78-S82 VanDerWaalsContact O-CB 3.27Å; L78-S82 WeakPolarHBondContact O-CB 3.19Å; L78-S82 PolarHBondContact O-N 3.47Å; Q79-S82 WeakPolarHBondContact O-CB 3.42Å; Q79-S82 PolarHBondContact O-N 3.42Å; T80-S82 VanDerWaalsContact C-N 3.34Å; T80-S82 PolarHBondContact O-N 2.9Å; S82-K86 WeakPolarHBondContact O-CB 3.35Å; S82-K86 PolarHBondContact O-N 2.87Å
83	E	91.3	Very high	85.3	Confident	81 Å²	81	78.8 Å²	78.8	38%	0.379	39%	0.387	S	S	.	.	H	α-helix	trans	-69.1	-39.7	175.8	-73.9	176.9	-163.3	0	0	112.1	Q79 T80 Y81 K86 R87	Q79-E83 PolarHBondContact NE2-OE1 2.94Å; Q79-E83 WeakPolarHBondContact O-CG 3.12Å; Q79-E83 PolarHBondContact O-N 2.77Å; T80-E83 PolarHBondContact O-N 2.95Å; Y81-E83 VanDerWaalsContact C-N 3.32Å; Y81-E83 PolarHBondContact O-N 3.02Å; E83-K86 PolarHBondContact O-N 3.34Å; E83-R87 WeakPolarHBondContact O-CG 3.22Å; E83-R87 PolarHBondContact O-N 2.92Å; E83-R87 IonicContact OE2-NH2 3.47Å; E83-R87 PolarHBondContact OE2-NH2 3.05Å
84	N	88.1	Confident	83.8	Confident	58 Å²	58	78.6 Å²	78.6	31%	0.31	39%	0.386	S	S	.	.	H	α-helix	trans	-63.3	-45.1	175.9	-71.1	-13.5	0	0	0	111.6	T80 Y81 K86 R87 A88	T80-N84 PolarHBondContact O-N 3.06Å; Y81-N84 PolarHBondContact O-N 3.02Å; N84-K86 VanDerWaalsContact C-N 3.32Å; N84-K86 PolarHBondContact O-N 2.67Å; N84-R87 PolarHBondContact O-N 3.03Å; N84-A88 WeakPolarHBondContact O-CB 3.43Å; N84-A88 PolarHBondContact O-N 2.93Å
85	Y	90.2	Very high	82.2	Confident	62 Å²	62	83.2 Å²	83.2	24%	0.243	41%	0.405	C	S	.	.	H	α-helix	trans	-60.2	-42.2	174	173	-109.7	0	0	0	112	K57 A60 E61 L64 Y81 A88 S89	K57-Y85 HydrophobicContact CG-CE2 4.27Å; A60-Y85 HydrophobicContact CB-CD2 4.43Å; E61-Y85 HydrophobicContact CB-CD2 3.67Å; E61-Y85 HydrophobicContact CB-CE2 3.51Å; E61-Y85 HydrophobicContact CG-CD2 4.22Å; E61-Y85 HydrophobicContact CG-CE2 3.76Å; L64-Y85 HydrophobicContact CD2-CD1 4.29Å; L64-Y85 HydrophobicContact CD2-CG 4.33Å; Y81-Y85 PolarHBondContact O-N 2.7Å; Y85-A88 PolarHBondContact O-N 3.34Å; Y85-S89 WeakPolarHBondContact CE2-OG 3.08Å; Y85-S89 VanDerWaalsContact O-CB 3.31Å; Y85-S89 WeakPolarHBondContact O-CB 3.21Å; Y85-S89 PolarHBondContact O-N 3.48Å; Y85-S89 PolarHBondContact O-OG 3.3Å
86	K	91.3	Very high	80.5	Confident	127 Å²	127	81.5 Å²	81.5	55%	0.552	41%	0.412	S	S	*	.	H	α-helix	trans	-60.8	-48.1	176.4	-176.8	178.4	172.5	-177.6	0	111.6	S82 E83 N84 A88 S89 E90	S82-K86 WeakPolarHBondContact O-CB 3.35Å; S82-K86 PolarHBondContact O-N 2.87Å; E83-K86 PolarHBondContact O-N 3.34Å; N84-K86 VanDerWaalsContact C-N 3.32Å; N84-K86 PolarHBondContact O-N 2.67Å; K86-A88 PolarHBondContact O-N 3.06Å; K86-S89 PolarHBondContact O-N 3.48Å; K86-E90 WeakPolarHBondContact CE-OE1 3.19Å; K86-E90 WeakPolarHBondContact O-CG 3.49Å; K86-E90 PolarHBondContact O-N 2.94Å
87	R	88.5	Confident	79	Confident	129 Å²	129	78.3 Å²	78.3	49%	0.487	40%	0.395	S	S	.	.	H	α-helix	trans	-60.1	-45.2	177.2	-69.3	176.2	-151.5	172.7	8.9	111.7	E83 N84 S89 E90 M91	E83-R87 WeakPolarHBondContact O-CG 3.22Å; E83-R87 PolarHBondContact O-N 2.92Å; E83-R87 IonicContact OE2-NH2 3.47Å; E83-R87 PolarHBondContact OE2-NH2 3.05Å; N84-R87 PolarHBondContact O-N 3.03Å; R87-S89 VanDerWaalsContact C-N 3.32Å; R87-S89 PolarHBondContact O-N 3.44Å; R87-E90 PolarHBondContact O-N 3.35Å; R87-M91 WeakPolarHBondContact O-CG 3.27Å; R87-M91 PolarHBondContact O-N 3Å
88	A	86.9	Confident	77.4	Confident	14 Å²	14	82.4 Å²	82.4	12%	0.116	41%	0.407	C	S	.	.	H	α-helix	trans	-64.4	-38.1	178.3	0	0	0	0	0	112	K57 A60 N84 Y85 K86 M91 S92	K57-A88 HydrophobicContact CB-CB 4.49Å; A60-A88 HydrophobicContact CB-CB 4.14Å; N84-A88 WeakPolarHBondContact O-CB 3.43Å; N84-A88 PolarHBondContact O-N 2.93Å; Y85-A88 PolarHBondContact O-N 3.34Å; K86-A88 PolarHBondContact O-N 3.06Å; A88-M91 PolarHBondContact O-N 3.26Å; A88-S92 PolarHBondContact O-N 3.32Å
89	S	86.2	Confident	75.8	Confident	36 Å²	36	83.4 Å²	83.4	25%	0.252	41%	0.409	S	S	.	.	H	α-helix	trans	-66.7	-37.9	175.5	-61.9	0	0	0	0	112.6	Y85 K86 R87 M91 S92	Y85-S89 WeakPolarHBondContact CE2-OG 3.08Å; Y85-S89 VanDerWaalsContact O-CB 3.31Å; Y85-S89 WeakPolarHBondContact O-CB 3.21Å; Y85-S89 PolarHBondContact O-N 3.48Å; Y85-S89 PolarHBondContact O-OG 3.3Å; K86-S89 PolarHBondContact O-N 3.48Å; R87-S89 VanDerWaalsContact C-N 3.32Å; R87-S89 PolarHBondContact O-N 3.44Å; S89-M91 VanDerWaalsContact C-N 3.34Å; S89-S92 VanDerWaalsContact O-CB 3.28Å; S89-S92 WeakPolarHBondContact O-CB 3.45Å; S89-S92 PolarHBondContact O-N 2.9Å
90	E	84.9	Confident	74.5	Confident	132 Å²	132	79.3 Å²	79.3	62%	0.617	39%	0.389	S	S	*	.	H	α-helix	trans	-69.8	-31.2	176	-73.3	170.5	177.9	0	0	112.6	K86 R87 S92	K86-E90 WeakPolarHBondContact CE-OE1 3.19Å; K86-E90 WeakPolarHBondContact O-CG 3.49Å; K86-E90 PolarHBondContact O-N 2.94Å; R87-E90 PolarHBondContact O-N 3.35Å; E90-S92 VanDerWaalsContact C-N 3.35Å
91	M	76.9	Confident	73.6	Confident	103 Å²	103	81 Å²	81	51%	0.507	40%	0.396	S	S	.	.	H	α-helix	trans	-76.6	-25	173.4	-69.8	-178.5	-178.5	0	0	112.3	R53 R87 A88 S89 L270	R53-M91 VanDerWaalsContact CD-O 3.23Å; R53-M91 WeakPolarHBondContact CD-O 3.32Å; R87-M91 WeakPolarHBondContact O-CG 3.27Å; R87-M91 PolarHBondContact O-N 3Å; A88-M91 PolarHBondContact O-N 3.26Å; S89-M91 VanDerWaalsContact C-N 3.34Å; M91-L270 HydrophobicContact CE-CD2 3.74Å; M91-L270 HydrophobicContact SD-CD2 3.41Å; M91-L270 WeakPolarHBondContact SD-CD2 3.42Å
92	S	69	Low	72.3	Confident	10 Å²	10	80.8 Å²	80.8	7%	0.07	40%	0.396	C	S	.	.	S	Bend	trans	-59	130.1	177.5	-161.8	0	0	0	0	110.2	A88 S89 E90 N94 Y100	A88-S92 PolarHBondContact O-N 3.32Å; S89-S92 VanDerWaalsContact O-CB 3.28Å; S89-S92 WeakPolarHBondContact O-CB 3.45Å; S89-S92 PolarHBondContact O-N 2.9Å; E90-S92 VanDerWaalsContact C-N 3.35Å; S92-N94 PolarHBondContact O-N 3.48Å; S92-N94 VanDerWaalsContact O-N 3.08Å; S92-Y100 PolarHBondContact OG-OH 3.24Å
93	P	63	Low	71.1	Confident	48 Å²	48	78.5 Å²	78.5	31%	0.312	38%	0.38	S	S	.	.			trans	-44.1	118.4	176.4	-29.5	27.4	0	0	0	112.1	Y100	P93-Y100 HydrophobicContact CB-CE1 4.4Å; P93-Y100 HydrophobicContact CB-CE2 4.07Å; P93-Y100 WeakPolarHBondContact CD-OH 3.31Å; P93-Y100 HydrophobicContact CG-CE2 3.85Å; P93-Y100 VanDerWaalsContact CG-OH 3.31Å; P93-Y100 WeakPolarHBondContact CG-OH 3.33Å
94	N	54.9	Low	70.5	Confident	134 Å²	134	76.2 Å²	76.2	72%	0.717	37%	0.369	S	S	*	.			trans	-82.6	130.1	164.7	-111.4	-10.7	0	0	0	106.3	S92	S92-N94 PolarHBondContact O-N 3.48Å; S92-N94 VanDerWaalsContact O-N 3.08Å
95	H	53.2	Low	69.6	Low	150 Å²	150	77 Å²	77	69%	0.694	37%	0.37	S	S	*	.	S	Bend	trans	109.5	122.5	150.8	-50	-14.2	0	0	0	119.2	D97	H95-D97 PolarHBondContact O-N 3.49Å
96	D	51.6	Low	68.3	Low	168 Å²	168	74.3 Å²	74.3	90%	0.898	36%	0.361	S	S	*	.			trans	64.4	3.9	140.8	-58.1	-7.7	0	0	0	122.7
97	D	54.2	Low	67.1	Low	63 Å²	63	68.4 Å²	68.4	34%	0.337	34%	0.335	S	S	.	.			trans	-98.3	110	176.4	-156	-10.2	0	0	0	112.2	H95 Y99 Y100	H95-D97 PolarHBondContact O-N 3.49Å; D97-Y99 PolarHBondContact O-N 2.89Å; D97-Y100 VanDerWaalsContact O-CB 3.22Å; D97-Y100 WeakPolarHBondContact O-CB 3.32Å; D97-Y100 PolarHBondContact O-N 3.33Å
98	Y	49.2	Very low	66.7	Low	148 Å²	148	67 Å²	67	58%	0.58	33%	0.33	S	S	*	.	H	α-helix	trans	-50.6	-33.4	-179.1	177.2	-93.1	0	0	0	112.9	E34 Y100 D101	E34-Y98 HydrophobicContact CG-CE1 4.25Å; E34-Y98 WeakPolarHBondContact OE1-CE1 3.38Å; E34-Y98 VanDerWaalsContact OE1-CZ 3.3Å; E34-Y98 PolarHBondContact OE1-OH 3.5Å; Y98-Y100 VanDerWaalsContact C-N 3.31Å; Y98-Y100 PolarHBondContact O-N 3Å; Y98-D101 PolarHBondContact O-N 2.82Å
99	Y	53.6	Low	65.9	Low	52 Å²	52	68 Å²	68	20%	0.204	33%	0.333	C	S	.	.	H	α-helix	trans	-75.2	-19.4	-179.3	-63.9	-64.5	0	0	0	114.3	E34 L37 D97 V103	E34-Y99 HydrophobicContact CB-CD1 4.32Å; E34-Y99 WeakPolarHBondContact O-CD1 3.29Å; L37-Y99 HydrophobicContact CB-CD1 3.58Å; L37-Y99 HydrophobicContact CB-CE1 3.13Å; L37-Y99 HydrophobicContact CB-CE2 4.34Å; L37-Y99 HydrophobicContact CB-CG 4.36Å; L37-Y99 HydrophobicContact CD1-CE1 3.62Å; L37-Y99 HydrophobicContact CD2-CE1 4.34Å; L37-Y99 HydrophobicContact CG-CE1 3.84Å; D97-Y99 PolarHBondContact O-N 2.89Å; Y99-V103 WeakPolarHBondContact O-CG2 3.38Å
100	Y	63.9	Low	65.2	Low	20 Å²	20	69.3 Å²	69.3	8%	0.078	33%	0.334	C	S	.	.	H	α-helix	trans	-72.6	-34.2	176.6	-169.2	-97.9	0	0	0	111.4	L54 S92 P93 D97 Y98 S102 V103 E104	L54-Y100 HydrophobicContact CD1-CD2 4.39Å; L54-Y100 HydrophobicContact CD1-CE1 4.15Å; L54-Y100 HydrophobicContact CD1-CE2 3.73Å; L54-Y100 HydrophobicContact CD2-CE1 3.85Å; L54-Y100 WeakPolarHBondContact CD2-OH 3.49Å; L54-Y100 HydrophobicContact CG-CE1 4.28Å; L54-Y100 HydrophobicContact CG-CE2 4.14Å; L54-Y100 WeakPolarHBondContact CG-OH 3.43Å; S92-Y100 PolarHBondContact OG-OH 3.24Å; P93-Y100 HydrophobicContact CB-CE1 4.4Å; P93-Y100 HydrophobicContact CB-CE2 4.07Å; P93-Y100 WeakPolarHBondContact CD-OH 3.31Å; P93-Y100 HydrophobicContact CG-CE2 3.85Å; P93-Y100 VanDerWaalsContact CG-OH 3.31Å; P93-Y100 WeakPolarHBondContact CG-OH 3.33Å; D97-Y100 VanDerWaalsContact O-CB 3.22Å; D97-Y100 WeakPolarHBondContact O-CB 3.32Å; D97-Y100 PolarHBondContact O-N 3.33Å; Y98-Y100 VanDerWaalsContact C-N 3.31Å; Y98-Y100 PolarHBondContact O-N 3Å; Y100-S102 VanDerWaalsContact C-N 3.31Å; Y100-S102 PolarHBondContact O-N 2.91Å; Y100-V103 PolarHBondContact O-N 3.41Å; Y100-E104 WeakPolarHBondContact O-CB 3.44Å; Y100-E104 PolarHBondContact O-N 2.85Å
101	D	68.2	Low	64.9	Low	101 Å²	101	64.7 Å²	64.7	54%	0.54	31%	0.311	S	S	.	.	H	α-helix	trans	-61.4	-38.6	-179.5	-71.5	-16.4	0	0	0	112	Y98 F105	Y98-D101 PolarHBondContact O-N 2.82Å; D101-F105 VanDerWaalsContact O-CB 3.22Å; D101-F105 WeakPolarHBondContact O-CB 3.42Å; D101-F105 PolarHBondContact O-N 3.08Å
102	S	62.2	Low	64.7	Low	9 Å²	9	63.2 Å²	63.2	6%	0.063	31%	0.305	C	S	.	.	H	α-helix	trans	-71.7	-38.8	-179.8	-42	0	0	0	0	112.4	E34 Y100 F105 A106	E34-S102 WeakPolarHBondContact OE2-CB 3.34Å; E34-S102 PolarHBondContact OE2-OG 3.3Å; Y100-S102 VanDerWaalsContact C-N 3.31Å; Y100-S102 PolarHBondContact O-N 2.91Å; S102-F105 PolarHBondContact O-N 3Å; S102-A106 WeakPolarHBondContact O-CB 3.49Å; S102-A106 PolarHBondContact O-N 3.04Å
103	V	65.2	Low	64.3	Low	3 Å²	3	63 Å²	63	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-66.2	-46.7	174.1	179.1	0	0	0	0	109.9	L35 Y38 I51 L54 Y99 Y100 F105 A106 I107	L35-V103 HydrophobicContact CD2-CB 4.44Å; L35-V103 HydrophobicContact CD2-CG2 3.55Å; Y38-V103 HydrophobicContact CD1-CG2 3.49Å; Y38-V103 VanDerWaalsContact CD1-CG2 3.49Å; Y38-V103 HydrophobicContact CE1-CG2 4.01Å; Y38-V103 HydrophobicContact CG-CG2 4.21Å; I51-V103 HydrophobicContact CG1-CG1 3.96Å; L54-V103 HydrophobicContact CD1-CB 4.33Å; L54-V103 HydrophobicContact CD1-CG1 3.8Å; Y99-V103 WeakPolarHBondContact O-CG2 3.38Å; Y100-V103 PolarHBondContact O-N 3.41Å; V103-F105 VanDerWaalsContact C-N 3.31Å; V103-F105 PolarHBondContact O-N 2.88Å; V103-A106 PolarHBondContact O-N 3.19Å; V103-I107 HydrophobicContact CG1-CD1 3.81Å; V103-I107 WeakPolarHBondContact O-CG1 3.32Å; V103-I107 PolarHBondContact O-N 3.49Å
104	E	78.5	Confident	64.7	Low	33 Å²	33	65.3 Å²	65.3	15%	0.154	31%	0.307	C	S	.	.	H	α-helix	trans	-58	-44.7	174.8	172.1	155	-155.7	0	0	111	L54 K57 Y58 Y100 A106 I107 R108	L54-E104 HydrophobicContact CD1-CB 4.08Å; L54-E104 HydrophobicContact CD2-CB 3.85Å; L54-E104 HydrophobicContact CD2-CG 3.95Å; K57-E104 IonicContact NZ-OE1 3.22Å; K57-E104 PolarHBondContact NZ-OE1 3.34Å; Y58-E104 HydrophobicContact CE2-CG 3.83Å; Y58-E104 WeakPolarHBondContact OH-CG 3.33Å; Y58-E104 PolarHBondContact OH-OE1 2.88Å; Y100-E104 WeakPolarHBondContact O-CB 3.44Å; Y100-E104 PolarHBondContact O-N 2.85Å; E104-A106 PolarHBondContact O-N 3.43Å; E104-I107 PolarHBondContact O-N 3.44Å; E104-R108 VanDerWaalsContact O-CB 3.27Å; E104-R108 WeakPolarHBondContact O-CB 3.5Å; E104-R108 PolarHBondContact O-N 2.98Å
105	F	70.9	Confident	65.6	Low	75 Å²	75	59.9 Å²	59.9	33%	0.329	28%	0.277	S	S	.	.	H	α-helix	trans	-59	-47.1	176.1	-176.6	-102	0	0	0	112.4	L31 D101 S102 V103 R108 I109	L31-F105 HydrophobicContact CD1-CD1 3.95Å; D101-F105 VanDerWaalsContact O-CB 3.22Å; D101-F105 WeakPolarHBondContact O-CB 3.42Å; D101-F105 PolarHBondContact O-N 3.08Å; S102-F105 PolarHBondContact O-N 3Å; V103-F105 VanDerWaalsContact C-N 3.31Å; V103-F105 PolarHBondContact O-N 2.88Å; F105-R108 VanDerWaalsContact CD2-NH2 3.26Å; F105-R108 PolarHBondContact O-N 2.81Å; F105-I109 HydrophobicContact CD1-CD1 3.75Å; F105-I109 HydrophobicContact CE1-CD1 3.21Å; F105-I109 HydrophobicContact CE1-CG1 4.28Å; F105-I109 HydrophobicContact CE2-CD1 4.31Å; F105-I109 HydrophobicContact CG-CD1 4.5Å; F105-I109 HydrophobicContact CZ-CD1 3.53Å; F105-I109 HydrophobicContact CZ-CG1 4.36Å; F105-I109 WeakPolarHBondContact O-CG1 3.27Å; F105-I109 PolarHBondContact O-N 2.91Å
106	A	61.5	Low	66.2	Low	6 Å²	6	57.8 Å²	57.8	5%	0.05	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-45.9	178.8	0	0	0	0	0	112.2	L31 S102 V103 E104 R108 I109 K110	L31-A106 HydrophobicContact CD2-CB 3.98Å; S102-A106 WeakPolarHBondContact O-CB 3.49Å; S102-A106 PolarHBondContact O-N 3.04Å; V103-A106 PolarHBondContact O-N 3.19Å; E104-A106 PolarHBondContact O-N 3.43Å; A106-R108 VanDerWaalsContact C-N 3.35Å; A106-I109 PolarHBondContact O-N 3.23Å; A106-K110 PolarHBondContact O-N 3.47Å
107	I	67.1	Low	66.6	Low	3 Å²	3	53.9 Å²	53.9	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-41.3	178.2	-66.9	171.3	0	0	0	110.2	I51 L54 E55 Y58 V103 E104 I109 K110 W111	I51-I107 HydrophobicContact CG2-CD1 4.28Å; L54-I107 HydrophobicContact CB-CD1 3.48Å; L54-I107 VanDerWaalsContact CB-CD1 3.48Å; L54-I107 HydrophobicContact CB-CG2 4.38Å; L54-I107 HydrophobicContact CD1-CD1 3.9Å; L54-I107 HydrophobicContact CG-CD1 4.34Å; E55-I107 HydrophobicContact CG-CD1 4.3Å; E55-I107 HydrophobicContact CG-CG2 4.44Å; Y58-I107 HydrophobicContact CD2-CB 4.25Å; Y58-I107 HydrophobicContact CD2-CG2 3.56Å; Y58-I107 HydrophobicContact CE2-CG2 4.4Å; Y58-I107 HydrophobicContact CG-CG2 4.19Å; V103-I107 HydrophobicContact CG1-CD1 3.81Å; V103-I107 WeakPolarHBondContact O-CG1 3.32Å; V103-I107 PolarHBondContact O-N 3.49Å; E104-I107 PolarHBondContact O-N 3.44Å; I107-I109 PolarHBondContact O-N 3.46Å; I107-K110 WeakPolarHBondContact O-CB 3.49Å; I107-K110 PolarHBondContact O-N 2.92Å; I107-W111 VanDerWaalsContact O-CD1 3.27Å; I107-W111 PolarHBondContact O-N 3.25Å
108	R	80.2	Confident	67.2	Low	98 Å²	98	51.6 Å²	51.6	37%	0.37	23%	0.234	S	C	.	.	H	α-helix	trans	-60.3	-44.6	174.9	-172.7	172.7	67.9	-151.9	5.7	112.3	Y58 E104 F105 A106 K110 W111 N112	Y58-R108 HydrophobicContact CD1-CB 4.16Å; Y58-R108 HydrophobicContact CD1-CG 4.09Å; Y58-R108 HydrophobicContact CE1-CB 3.65Å; Y58-R108 HydrophobicContact CE1-CG 3.5Å; Y58-R108 VanDerWaalsContact CE1-CG 3.5Å; Y58-R108 HydrophobicContact CE2-CB 4.09Å; E104-R108 VanDerWaalsContact O-CB 3.27Å; E104-R108 WeakPolarHBondContact O-CB 3.5Å; E104-R108 PolarHBondContact O-N 2.98Å; F105-R108 VanDerWaalsContact CD2-NH2 3.26Å; F105-R108 PolarHBondContact O-N 2.81Å; A106-R108 VanDerWaalsContact C-N 3.35Å; R108-K110 VanDerWaalsContact C-N 3.34Å; R108-K110 PolarHBondContact O-N 2.88Å; R108-W111 PolarHBondContact O-N 3.41Å; R108-N112 WeakPolarHBondContact O-CB 3.5Å; R108-N112 VanDerWaalsContact O-CG 3.31Å; R108-N112 PolarHBondContact O-N 2.94Å; R108-N112 PolarHBondContact O-ND2 3.35Å
109	I	69	Low	68.2	Low	37 Å²	37	46.7 Å²	46.7	19%	0.19	22%	0.218	C	C	.	.	H	α-helix	trans	-58.8	-47.8	176	-74.9	176.7	0	0	0	110.5	L21 F105 A106 I107 W111 N112 A113	L21-I109 HydrophobicContact CD1-CD1 4.02Å; L21-I109 HydrophobicContact CD2-CD1 4.36Å; L21-I109 HydrophobicContact CG-CD1 4.3Å; F105-I109 HydrophobicContact CD1-CD1 3.75Å; F105-I109 HydrophobicContact CE1-CD1 3.21Å; F105-I109 HydrophobicContact CE1-CG1 4.28Å; F105-I109 HydrophobicContact CE2-CD1 4.31Å; F105-I109 HydrophobicContact CG-CD1 4.5Å; F105-I109 HydrophobicContact CZ-CD1 3.53Å; F105-I109 HydrophobicContact CZ-CG1 4.36Å; F105-I109 WeakPolarHBondContact O-CG1 3.27Å; F105-I109 PolarHBondContact O-N 2.91Å; A106-I109 PolarHBondContact O-N 3.23Å; I107-I109 PolarHBondContact O-N 3.46Å; I109-W111 VanDerWaalsContact C-N 3.35Å; I109-W111 PolarHBondContact O-N 3.08Å; I109-N112 PolarHBondContact O-N 3.43Å; I109-A113 VanDerWaalsContact O-CB 3.29Å; I109-A113 WeakPolarHBondContact O-CB 3.46Å; I109-A113 PolarHBondContact O-N 2.94Å
110	K	72.9	Confident	68.5	Low	63 Å²	63	47 Å²	47	27%	0.274	23%	0.232	S	C	.	.	H	α-helix	trans	-55.1	-47.6	177.4	170.4	-168	168.3	-160.8	0	111.8	E55 A106 I107 R108 A113 R114	E55-K110 IonicContact OE1-NZ 3.31Å; E55-K110 PolarHBondContact OE1-NZ 2.85Å; E55-K110 IonicContact OE2-NZ 3.62Å; E55-K110 PolarHBondContact OE2-NZ 2.9Å; A106-K110 PolarHBondContact O-N 3.47Å; I107-K110 WeakPolarHBondContact O-CB 3.49Å; I107-K110 PolarHBondContact O-N 2.92Å; R108-K110 VanDerWaalsContact C-N 3.34Å; R108-K110 PolarHBondContact O-N 2.88Å; K110-A113 WeakPolarHBondContact O-CB 3.13Å; K110-R114 PolarHBondContact O-N 3.29Å; K110-R114 VanDerWaalsContact O-N 3.08Å
111	W	76.8	Confident	68.1	Low	34 Å²	34	47.2 Å²	47.2	13%	0.129	24%	0.235	C	C	.	.	H	α-helix	trans	-74.5	-33.1	-178.8	-77.5	103.7	0	0	0	113.5	E55 A59 W62 I107 R108 I109 R114 L115	E55-W111 PolarHBondContact OE2-NE1 3.36Å; A59-W111 HydrophobicContact CB-CH2 3.57Å; A59-W111 HydrophobicContact CB-CZ2 3.48Å; A59-W111 VanDerWaalsContact CB-CZ2 3.48Å; A59-W111 HydrophobicContact CB-CZ3 4.17Å; W62-W111 HydrophobicContact CB-CD2 4.44Å; W62-W111 HydrophobicContact CB-CE3 3.6Å; W62-W111 HydrophobicContact CB-CZ3 4.15Å; W62-W111 AromaticContact CD2-CE3 4Å; W62-W111 HydrophobicContact CD2-CE3 4Å; W62-W111 AromaticContact CD2-CZ3 3.73Å; W62-W111 HydrophobicContact CD2-CZ3 3.73Å; W62-W111 HydrophobicContact CE3-CE3 4.21Å; W62-W111 HydrophobicContact CE3-CH2 4.42Å; W62-W111 AromaticContact CE3-CZ3 3.55Å; W62-W111 HydrophobicContact CE3-CZ3 3.55Å; W62-W111 AromaticContact CG-CE3 3.7Å; W62-W111 HydrophobicContact CG-CE3 3.7Å; W62-W111 AromaticContact CG-CZ3 3.97Å; W62-W111 HydrophobicContact CG-CZ3 3.97Å; W62-W111 HydrophobicContact CZ3-CZ3 4.27Å; I107-W111 VanDerWaalsContact O-CD1 3.27Å; I107-W111 PolarHBondContact O-N 3.25Å; R108-W111 PolarHBondContact O-N 3.41Å; I109-W111 VanDerWaalsContact C-N 3.35Å; I109-W111 PolarHBondContact O-N 3.08Å; W111-R114 HydrophobicContact CE3-CB 4.41Å; W111-R114 HydrophobicContact CE3-CG 4.42Å; W111-R114 HydrophobicContact CZ3-CG 4.5Å; W111-R114 WeakPolarHBondContact O-CB 3.42Å; W111-R114 PolarHBondContact O-N 2.97Å; W111-L115 PolarHBondContact O-N 3.05Å
112	N	73.8	Confident	67.7	Low	72 Å²	72	45.1 Å²	45.1	39%	0.385	22%	0.223	S	C	.	.	H	α-helix	trans	-65.5	-41.8	171.8	-78.5	-21.5	0	0	0	112.4	R108 I109 R114 L115 N116	R108-N112 WeakPolarHBondContact O-CB 3.5Å; R108-N112 VanDerWaalsContact O-CG 3.31Å; R108-N112 PolarHBondContact O-N 2.94Å; R108-N112 PolarHBondContact O-ND2 3.35Å; I109-N112 PolarHBondContact O-N 3.43Å; N112-R114 VanDerWaalsContact C-N 3.27Å; N112-R114 PolarHBondContact O-N 3.26Å; N112-L115 PolarHBondContact O-N 3.42Å; N112-N116 PolarHBondContact O-N 2.95Å; N112-N116 PolarHBondContact O-ND2 3.22Å
113	A	60.4	Low	67.7	Low	6 Å²	6	51.5 Å²	51.5	5%	0.05	25%	0.25	C	S	.	.	H	α-helix	trans	-56.4	-44.9	171.3	0	0	0	0	0	111.2	Y20 I109 K110 N116 F117	Y20-A113 HydrophobicContact CD1-CB 3.4Å; Y20-A113 HydrophobicContact CD2-CB 3.83Å; Y20-A113 HydrophobicContact CE1-CB 3.3Å; Y20-A113 HydrophobicContact CE2-CB 3.76Å; Y20-A113 HydrophobicContact CG-CB 3.65Å; Y20-A113 VanDerWaalsContact CZ-CB 3.49Å; I109-A113 VanDerWaalsContact O-CB 3.29Å; I109-A113 WeakPolarHBondContact O-CB 3.46Å; I109-A113 PolarHBondContact O-N 2.94Å; K110-A113 WeakPolarHBondContact O-CB 3.13Å; A113-N116 PolarHBondContact O-N 2.94Å; A113-F117 PolarHBondContact O-N 2.96Å
114	R	70.4	Confident	67	Low	97 Å²	97	57.4 Å²	57.4	37%	0.366	27%	0.273	S	S	.	.	H	α-helix	trans	-62.9	-44.8	175.4	-175.8	59.5	-173.8	-140.6	-2	112.7	K110 W111 N112 N116 F117 D118	K110-R114 PolarHBondContact O-N 3.29Å; K110-R114 VanDerWaalsContact O-N 3.08Å; W111-R114 HydrophobicContact CE3-CB 4.41Å; W111-R114 HydrophobicContact CE3-CG 4.42Å; W111-R114 HydrophobicContact CZ3-CG 4.5Å; W111-R114 WeakPolarHBondContact O-CB 3.42Å; W111-R114 PolarHBondContact O-N 2.97Å; N112-R114 VanDerWaalsContact C-N 3.27Å; N112-R114 PolarHBondContact O-N 3.26Å; R114-N116 PolarHBondContact O-N 2.88Å; R114-F117 WeakPolarHBondContact O-CB 3.46Å; R114-F117 PolarHBondContact O-N 2.79Å; R114-D118 IonicContact CZ-OD2 2.79Å; R114-D118 IonicContact NE-OD1 3.68Å; R114-D118 IonicContact NE-OD2 3.8Å; R114-D118 PolarHBondContact NE-OD2 2.84Å; R114-D118 IonicContact NH2-OD1 3.61Å; R114-D118 PolarHBondContact O-N 3.47Å
115	L	74.1	Confident	65.7	Low	19 Å²	19	59.3 Å²	59.3	10%	0.099	28%	0.284	C	S	.	.	H	α-helix	trans	-56.8	-49.9	175.6	-179.1	60.4	0	0	0	111.3	D65 L66 W111 N112 F117 D118 L119	D65-L115 HydrophobicContact CB-CD1 4.18Å; D65-L115 HydrophobicContact CB-CD2 3.87Å; L66-L115 HydrophobicContact CB-CD1 3.98Å; L66-L115 HydrophobicContact CD1-CD1 4.37Å; W111-L115 PolarHBondContact O-N 3.05Å; N112-L115 PolarHBondContact O-N 3.42Å; L115-F117 VanDerWaalsContact C-N 3.29Å; L115-F117 PolarHBondContact O-N 3.44Å; L115-D118 PolarHBondContact O-N 3.27Å; L115-L119 HydrophobicContact CD1-CD1 4.01Å; L115-L119 HydrophobicContact CD1-CG 4.03Å; L115-L119 HydrophobicContact CG-CD1 3.9Å; L115-L119 HydrophobicContact CG-CG 4.3Å; L115-L119 WeakPolarHBondContact O-CB 3.26Å; L115-L119 VanDerWaalsContact O-CG 3.29Å; L115-L119 WeakPolarHBondContact O-CG 3.37Å; L115-L119 PolarHBondContact O-N 3.44Å
116	N	67.1	Low	65.2	Low	107 Å²	107	59.1 Å²	59.1	57%	0.572	29%	0.292	S	S	*	.	H	α-helix	trans	-58.8	-41.8	179.2	-73.8	-30	0	0	0	111.9	N112 A113 R114 A120	N112-N116 PolarHBondContact O-N 2.95Å; N112-N116 PolarHBondContact O-ND2 3.22Å; A113-N116 PolarHBondContact O-N 2.94Å; R114-N116 PolarHBondContact O-N 2.88Å; N116-A120 VanDerWaalsContact O-CB 3.29Å; N116-A120 WeakPolarHBondContact O-CB 3.41Å; N116-A120 PolarHBondContact O-N 3.06Å
117	F	58.8	Low	64.8	Low	86 Å²	86	64 Å²	64	38%	0.377	32%	0.315	S	S	.	.	H	α-helix	trans	-62	-48.2	175.6	177.1	-92	0	0	0	112.2	A113 R114 L115 A120 T121	A113-F117 PolarHBondContact O-N 2.96Å; R114-F117 WeakPolarHBondContact O-CB 3.46Å; R114-F117 PolarHBondContact O-N 2.79Å; L115-F117 VanDerWaalsContact C-N 3.29Å; L115-F117 PolarHBondContact O-N 3.44Å; F117-A120 PolarHBondContact O-N 3.39Å; F117-T121 WeakPolarHBondContact O-CB 3.15Å; F117-T121 PolarHBondContact O-N 3.28Å; F117-T121 PolarHBondContact O-OG1 3.43Å
118	D	66.9	Low	64	Low	15 Å²	15	66.9 Å²	66.9	8%	0.08	33%	0.33	C	S	.	.	H	α-helix	trans	-68.1	-37.2	-178.8	-71.5	-45.5	0	0	0	111.7	W62 L66 R114 L115 T121 N122	W62-D118 VanDerWaalsContact CE2-OD2 3.29Å; W62-D118 WeakPolarHBondContact CZ2-OD2 3.1Å; W62-D118 PolarHBondContact NE1-OD2 3.29Å; L66-D118 HydrophobicContact CD1-CB 3.69Å; L66-D118 HydrophobicContact CD2-CB 4.16Å; R114-D118 IonicContact CZ-OD2 2.79Å; R114-D118 IonicContact NE-OD1 3.68Å; R114-D118 IonicContact NE-OD2 3.8Å; R114-D118 PolarHBondContact NE-OD2 2.84Å; R114-D118 IonicContact NH2-OD1 3.61Å; R114-D118 PolarHBondContact O-N 3.47Å; L115-D118 PolarHBondContact O-N 3.27Å; D118-T121 PolarHBondContact O-N 2.89Å; D118-N122 PolarHBondContact O-N 3.27Å; D118-N122 PolarHBondContact O-ND2 2.98Å
119	L	71.6	Confident	62.7	Low	44 Å²	44	65 Å²	65	23%	0.23	34%	0.336	C	S	.	.	H	α-helix	trans	-65.6	-44.5	173.8	-69.2	177.8	0	0	0	112.4	L66 N69 L115 T121 N122 K123	L66-L119 HydrophobicContact CD1-CD2 3.97Å; L66-L119 HydrophobicContact CD1-CG 4.41Å; N69-L119 HydrophobicContact CB-CD2 3.29Å; L115-L119 HydrophobicContact CD1-CD1 4.01Å; L115-L119 HydrophobicContact CD1-CG 4.03Å; L115-L119 HydrophobicContact CG-CD1 3.9Å; L115-L119 HydrophobicContact CG-CG 4.3Å; L115-L119 WeakPolarHBondContact O-CB 3.26Å; L115-L119 VanDerWaalsContact O-CG 3.29Å; L115-L119 WeakPolarHBondContact O-CG 3.37Å; L115-L119 PolarHBondContact O-N 3.44Å; L119-T121 VanDerWaalsContact C-N 3.31Å; L119-T121 PolarHBondContact O-N 3.41Å; L119-N122 PolarHBondContact O-N 3.45Å; L119-K123 WeakPolarHBondContact O-CB 3.44Å; L119-K123 PolarHBondContact O-N 2.91Å
120	A	58.2	Low	61.8	Low	60 Å²	60	66.7 Å²	66.7	50%	0.496	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-41.8	175.7	0	0	0	0	0	111.4	N116 F117 K123 Y124	N116-A120 VanDerWaalsContact O-CB 3.29Å; N116-A120 WeakPolarHBondContact O-CB 3.41Å; N116-A120 PolarHBondContact O-N 3.06Å; F117-A120 PolarHBondContact O-N 3.39Å; A120-K123 PolarHBondContact O-N 2.77Å; A120-Y124 WeakPolarHBondContact O-CB 3.33Å; A120-Y124 PolarHBondContact O-N 3.24Å
121	T	55.4	Low	60.2	Low	23 Å²	23	66.5 Å²	66.5	14%	0.141	36%	0.355	C	S	.	.	H	α-helix	trans	-62.4	-47.1	175.7	-58.7	0	0	0	0	111.3	F117 D118 L119 K123 Y124 L125	F117-T121 WeakPolarHBondContact O-CB 3.15Å; F117-T121 PolarHBondContact O-N 3.28Å; F117-T121 PolarHBondContact O-OG1 3.43Å; D118-T121 PolarHBondContact O-N 2.89Å; L119-T121 VanDerWaalsContact C-N 3.31Å; L119-T121 PolarHBondContact O-N 3.41Å; T121-K123 VanDerWaalsContact C-N 3.33Å; T121-K123 PolarHBondContact O-N 3.24Å; T121-Y124 PolarHBondContact O-N 3.48Å; T121-L125 HydrophobicContact CG2-CD1 3.99Å; T121-L125 HydrophobicContact CG2-CG 4.31Å; T121-L125 WeakPolarHBondContact O-CG 3.33Å; T121-L125 PolarHBondContact O-N 2.88Å
122	N	61.5	Low	58.5	Low	57 Å²	57	73 Å²	73	31%	0.305	38%	0.384	S	S	.	.	H	α-helix	trans	-61.7	-40.7	176.9	-78.2	-53.6	0	0	0	112.3	I70 D118 L119 L125 S126	I70-N122 WeakPolarHBondContact CD1-ND2 3.18Å; I70-N122 HydrophobicContact CG1-CB 4.44Å; D118-N122 PolarHBondContact O-N 3.27Å; D118-N122 PolarHBondContact O-ND2 2.98Å; L119-N122 PolarHBondContact O-N 3.45Å; N122-L125 PolarHBondContact O-N 3.22Å; N122-S126 WeakPolarHBondContact O-CB 3.46Å; N122-S126 PolarHBondContact O-N 2.94Å; N122-S126 PolarHBondContact O-OG 2.84Å
123	K	62.3	Low	57	Low	143 Å²	143	77 Å²	77	62%	0.622	41%	0.405	S	S	*	.	H	α-helix	trans	-60.2	-48.3	173.7	-173.5	177	179.9	179.8	0	110.9	L119 A120 T121 S126 M127	L119-K123 WeakPolarHBondContact O-CB 3.44Å; L119-K123 PolarHBondContact O-N 2.91Å; A120-K123 PolarHBondContact O-N 2.77Å; T121-K123 VanDerWaalsContact C-N 3.33Å; T121-K123 PolarHBondContact O-N 3.24Å; K123-S126 PolarHBondContact O-N 3.19Å; K123-S126 PolarHBondContact O-OG 2.88Å; K123-M127 HydrophobicContact CG-SD 4.46Å; K123-M127 WeakPolarHBondContact O-CG 3.18Å; K123-M127 PolarHBondContact O-N 2.92Å
124	Y	48.8	Very low	55.5	Low	127 Å²	127	79.4 Å²	79.4	50%	0.498	42%	0.422	S	S	.	.	H	α-helix	trans	-59.8	-46.6	176.9	175	-102.5	0	0	0	112.5	A120 T121 S126 M127 L128	A120-Y124 WeakPolarHBondContact O-CB 3.33Å; A120-Y124 PolarHBondContact O-N 3.24Å; T121-Y124 PolarHBondContact O-N 3.48Å; Y124-S126 PolarHBondContact O-N 2.87Å; Y124-M127 WeakPolarHBondContact O-CB 3.33Å; Y124-M127 PolarHBondContact O-N 3.44Å; Y124-L128 HydrophobicContact CE1-CD1 4.22Å; Y124-L128 WeakPolarHBondContact O-CB 3.41Å; Y124-L128 PolarHBondContact O-N 3.3Å
125	L	52.9	Low	53.8	Low	73 Å²	73	79.3 Å²	79.3	38%	0.382	44%	0.436	S	S	.	.	H	α-helix	trans	-64.1	-39.3	178.3	-70	175.2	0	0	0	112	T121 N122 M127 L128 A129	T121-L125 HydrophobicContact CG2-CD1 3.99Å; T121-L125 HydrophobicContact CG2-CG 4.31Å; T121-L125 WeakPolarHBondContact O-CG 3.33Å; T121-L125 PolarHBondContact O-N 2.88Å; N122-L125 PolarHBondContact O-N 3.22Å; L125-M127 VanDerWaalsContact C-N 3.33Å; L125-L128 PolarHBondContact O-N 3.42Å; L125-A129 WeakPolarHBondContact O-CB 3.27Å; L125-A129 PolarHBondContact O-N 2.97Å
126	S	58.8	Low	51.8	Low	72 Å²	72	86 Å²	86	50%	0.503	47%	0.471	S	S	.	.	H	α-helix	trans	-63.8	-39.5	174	75.7	0	0	0	0	111.8	N122 K123 Y124 S130	N122-S126 WeakPolarHBondContact O-CB 3.46Å; N122-S126 PolarHBondContact O-N 2.94Å; N122-S126 PolarHBondContact O-OG 2.84Å; K123-S126 PolarHBondContact O-N 3.19Å; K123-S126 PolarHBondContact O-OG 2.88Å; Y124-S126 PolarHBondContact O-N 2.87Å; S126-S130 WeakPolarHBondContact O-CB 3.29Å; S126-S130 PolarHBondContact O-N 3.48Å; S126-S130 PolarHBondContact O-OG 2.88Å
127	M	53.7	Low	50.4	Low	108 Å²	108	86.5 Å²	86.5	53%	0.532	48%	0.478	S	S	.	.	H	α-helix	trans	-62.2	-53.6	172.6	-73	176.8	65.7	0	0	109.6	K123 Y124 L125 A129 S130 T131	K123-M127 HydrophobicContact CG-SD 4.46Å; K123-M127 WeakPolarHBondContact O-CG 3.18Å; K123-M127 PolarHBondContact O-N 2.92Å; Y124-M127 WeakPolarHBondContact O-CB 3.33Å; Y124-M127 PolarHBondContact O-N 3.44Å; L125-M127 VanDerWaalsContact C-N 3.33Å; M127-A129 VanDerWaalsContact C-N 3.31Å; M127-A129 PolarHBondContact O-N 3.08Å; M127-S130 CarbonylContact O-C 3.5Å; M127-S130 WeakPolarHBondContact O-CA 3.45Å; M127-S130 WeakPolarHBondContact O-CB 3.33Å; M127-S130 PolarHBondContact O-N 2.88Å; M127-S130 PolarHBondContact O-OG 2.8Å; M127-T131 PolarHBondContact O-N 3.47Å; M127-T131 PolarHBondContact O-OG1 3.23Å
128	L	50.2	Low	49.3	Very low	64 Å²	64	86.7 Å²	86.7	34%	0.335	50%	0.496	S	S	.	.	H	α-helix	trans	-57.9	-40.2	-179.2	-165.1	110.7	0	0	0	112.9	Y124 L125 T131 K132	Y124-L128 HydrophobicContact CE1-CD1 4.22Å; Y124-L128 WeakPolarHBondContact O-CB 3.41Å; Y124-L128 PolarHBondContact O-N 3.3Å; L125-L128 PolarHBondContact O-N 3.42Å; L128-T131 WeakPolarHBondContact CA-OG1 3.48Å; L128-T131 PolarHBondContact O-N 3.49Å; L128-K132 PolarHBondContact O-N 3.31Å
129	A	52.8	Low	47.8	Very low	58 Å²	58	88.1 Å²	88.1	48%	0.479	51%	0.507	S	S	.	.	H	α-helix	trans	-64.9	-39.8	174.4	0	0	0	0	0	111.6	L125 M127 K132	L125-A129 WeakPolarHBondContact O-CB 3.27Å; L125-A129 PolarHBondContact O-N 2.97Å; M127-A129 VanDerWaalsContact C-N 3.31Å; M127-A129 PolarHBondContact O-N 3.08Å; A129-K132 PolarHBondContact O-N 3.3Å
130	S	49.7	Very low	46.2	Very low	73 Å²	73	92.8 Å²	92.8	51%	0.51	53%	0.532	S	S	.	.	H	α-helix	trans	-66.6	-38.6	173.2	74.3	0	0	0	0	112.3	S126 M127 N133 S134	S126-S130 WeakPolarHBondContact O-CB 3.29Å; S126-S130 PolarHBondContact O-N 3.48Å; S126-S130 PolarHBondContact O-OG 2.88Å; M127-S130 CarbonylContact O-C 3.5Å; M127-S130 WeakPolarHBondContact O-CA 3.45Å; M127-S130 WeakPolarHBondContact O-CB 3.33Å; M127-S130 PolarHBondContact O-N 2.88Å; M127-S130 PolarHBondContact O-OG 2.8Å; S130-N133 PolarHBondContact O-N 2.8Å; S130-S134 PolarHBondContact O-N 2.84Å; S130-S134 VanDerWaalsContact O-N 3.11Å; S130-S134 PolarHBondContact O-OG 3.33Å
131	T	40	Very low	45.4	Very low	58 Å²	58	96.9 Å²	96.9	36%	0.356	54%	0.541	S	S	.	.	H	α-helix	trans	-73.8	-22.8	177	-2.1	0	0	0	0	113.7	M127 L128 N133	M127-T131 PolarHBondContact O-N 3.47Å; M127-T131 PolarHBondContact O-OG1 3.23Å; L128-T131 WeakPolarHBondContact CA-OG1 3.48Å; L128-T131 PolarHBondContact O-N 3.49Å; T131-N133 VanDerWaalsContact C-N 3.29Å
132	K	42	Very low	44.9	Very low	171 Å²	171	99 Å²	99	74%	0.743	56%	0.557	S	S	*	*	H	α-helix	trans	-74.2	-18.8	171	-88.1	-175.3	174.8	179.6	0	113.2	L128 A129	L128-K132 PolarHBondContact O-N 3.31Å; A129-K132 PolarHBondContact O-N 3.3Å
133	N	40.6	Very low	44.1	Very low	155 Å²	155	100.5 Å²	100.5	83%	0.829	57%	0.568	S	S	*	*	H	α-helix	trans	-103.7	-11.7	177.4	-75.3	-19.6	0	0	0	114.1	S130 T131	S130-N133 PolarHBondContact O-N 2.8Å; T131-N133 VanDerWaalsContact C-N 3.29Å
134	S	30.4	Very low	43.2	Very low	58 Å²	58	98.2 Å²	98.2	41%	0.406	56%	0.559	S	S	.	*	S	Bend	trans	-112	124.2	171	70.1	0	0	0	0	109.6	S130 L136	S130-S134 PolarHBondContact O-N 2.84Å; S130-S134 VanDerWaalsContact O-N 3.11Å; S130-S134 PolarHBondContact O-OG 3.33Å; S134-L136 PolarHBondContact O-N 3Å; S134-L136 VanDerWaalsContact O-N 3.15Å
135	S	34.5	Very low	43.5	Very low	95 Å²	95	98.6 Å²	98.6	66%	0.664	56%	0.563	S	S	*	*			trans	-41.8	124.5	169.8	58.7	0	0	0	0	110.6	T137	S135-T137 PolarHBondContact O-N 2.86Å; S135-T137 PolarHBondContact O-OG1 3.39Å; S135-T137 PolarHBondContact OG-OG1 2.86Å
136	L	32.4	Very low	43.6	Very low	158 Å²	158	99.2 Å²	99.2	83%	0.827	57%	0.567	S	S	*	*	S	Bend	trans	-57	82.1	172.2	-91.7	133.6	0	0	0	110.2	S134	S134-L136 PolarHBondContact O-N 3Å; S134-L136 VanDerWaalsContact O-N 3.15Å
137	T	37.7	Very low	43.1	Very low	118 Å²	118	97.8 Å²	97.8	72%	0.724	55%	0.554	S	S	*	*			trans	-135.6	9.7	168.1	45.6	0	0	0	0	111.3	S135 S139	S135-T137 PolarHBondContact O-N 2.86Å; S135-T137 PolarHBondContact O-OG1 3.39Å; S135-T137 PolarHBondContact OG-OG1 2.86Å; T137-S139 PolarHBondContact O-N 3.26Å
138	A	35.1	Very low	43.4	Very low	91 Å²	91	95.2 Å²	95.2	75%	0.752	54%	0.538	S	S	*	.	S	Bend	trans	-77.8	70.3	172.3	0	0	0	0	0	111.5
139	S	35.8	Very low	43.9	Very low	44 Å²	44	99.4 Å²	99.4	31%	0.308	55%	0.554	S	S	.	*			trans	57.5	99.5	144.8	-178.3	0	0	0	0	118.4	T137 E141 S142	T137-S139 PolarHBondContact O-N 3.26Å; S139-E141 PolarHBondContact O-N 3.49Å; S139-E141 WeakPolarHBondContact OG-CA 3.29Å; S139-E141 WeakPolarHBondContact OG-CB 3.41Å; S139-E141 WeakPolarHBondContact OG-CG 3.47Å; S139-E141 PolarHBondContact OG-N 3.02Å; S139-E141 PolarHBondContact OG-OE2 3.28Å; S139-S142 PolarHBondContact O-N 3.01Å; S139-S142 PolarHBondContact OG-N 3.1Å
140	N	37	Very low	43.8	Very low	143 Å²	143	100.9 Å²	100.9	77%	0.765	56%	0.56	S	S	*	*	H	α-helix	trans	-44.2	-29.5	155	-88.4	-8.2	0	0	0	112.5	S142 V143 E144	N140-S142 VanDerWaalsContact C-N 3.26Å; N140-S142 PolarHBondContact O-N 3.34Å; N140-V143 PolarHBondContact O-N 3.02Å; N140-E144 WeakPolarHBondContact O-CB 3.26Å; N140-E144 PolarHBondContact O-N 2.94Å
141	E	41.2	Very low	44.2	Very low	146 Å²	146	99.9 Å²	99.9	68%	0.682	55%	0.55	S	S	*	.	H	α-helix	trans	-64.7	-27.1	-179.3	-44.5	162.9	130.2	0	0	112.5	S139 K145	S139-E141 PolarHBondContact O-N 3.49Å; S139-E141 WeakPolarHBondContact OG-CA 3.29Å; S139-E141 WeakPolarHBondContact OG-CB 3.41Å; S139-E141 WeakPolarHBondContact OG-CG 3.47Å; S139-E141 PolarHBondContact OG-N 3.02Å; S139-E141 PolarHBondContact OG-OE2 3.28Å; E141-K145 WeakPolarHBondContact O-CB 3.44Å; E141-K145 PolarHBondContact O-N 3.07Å
142	S	46.1	Very low	45.5	Very low	67 Å²	67	101 Å²	101	47%	0.469	56%	0.557	S	S	.	*	H	α-helix	trans	-69.9	-43.1	175.8	177.6	0	0	0	0	111.6	S139 N140 N146	S139-S142 PolarHBondContact O-N 3.01Å; S139-S142 PolarHBondContact OG-N 3.1Å; N140-S142 VanDerWaalsContact C-N 3.26Å; N140-S142 PolarHBondContact O-N 3.34Å; S142-N146 WeakPolarHBondContact O-CB 3.47Å; S142-N146 VanDerWaalsContact O-CG 3.29Å; S142-N146 PolarHBondContact O-N 2.94Å; S142-N146 PolarHBondContact O-ND2 3.36Å
143	V	43.6	Very low	46.8	Very low	88 Å²	88	100.7 Å²	100.7	53%	0.533	56%	0.556	S	S	.	*	H	α-helix	trans	-68.2	-46.3	177.5	179.4	0	0	0	0	109.5	N140 K145 N146 L147	N140-V143 PolarHBondContact O-N 3.02Å; V143-K145 PolarHBondContact O-N 3.28Å; V143-N146 PolarHBondContact O-N 2.91Å; V143-L147 HydrophobicContact CG1-CD1 3.8Å; V143-L147 HydrophobicContact CG1-CG 4.37Å; V143-L147 WeakPolarHBondContact O-CB 3.43Å; V143-L147 VanDerWaalsContact O-CG 3.25Å; V143-L147 WeakPolarHBondContact O-CG 3.25Å; V143-L147 PolarHBondContact O-N 3.42Å
144	E	44.9	Very low	47.8	Very low	96 Å²	96	94.3 Å²	94.3	45%	0.449	52%	0.522	S	S	.	.	H	α-helix	trans	-57	-49	174.5	-125.9	-166	118.2	0	0	111.8	N140 N146 L147 W148	N140-E144 WeakPolarHBondContact O-CB 3.26Å; N140-E144 PolarHBondContact O-N 2.94Å; E144-N146 VanDerWaalsContact C-N 3.28Å; E144-N146 PolarHBondContact O-N 3.21Å; E144-L147 WeakPolarHBondContact O-CB 3.27Å; E144-L147 PolarHBondContact O-N 3.47Å; E144-L147 VanDerWaalsContact O-N 3.13Å; E144-W148 HydrophobicContact CG-CZ2 4.26Å; E144-W148 VanDerWaalsContact O-CG 3.23Å; E144-W148 PolarHBondContact O-N 3.34Å; E144-W148 PolarHBondContact OE1-NE1 2.85Å
145	K	54.8	Low	49.5	Very low	134 Å²	134	94.7 Å²	94.7	58%	0.583	52%	0.517	S	S	*	.	H	α-helix	trans	-63.7	-33.4	-179	-170	173.8	-171.9	173.4	0	112.5	E141 V143 K149	E141-K145 WeakPolarHBondContact O-CB 3.44Å; E141-K145 PolarHBondContact O-N 3.07Å; V143-K145 PolarHBondContact O-N 3.28Å; K145-K149 WeakPolarHBondContact O-CB 3.5Å; K145-K149 VanDerWaalsContact O-CG 3.29Å; K145-K149 WeakPolarHBondContact O-CG 3.02Å; K145-K149 PolarHBondContact O-N 2.93Å
146	N	53.8	Low	51.3	Low	87 Å²	87	94.6 Å²	94.6	47%	0.465	51%	0.509	S	S	.	.	H	α-helix	trans	-77.8	-33.2	175	-71.3	-32.7	0	0	0	112.4	S142 V143 E144 S150	S142-N146 WeakPolarHBondContact O-CB 3.47Å; S142-N146 VanDerWaalsContact O-CG 3.29Å; S142-N146 PolarHBondContact O-N 2.94Å; S142-N146 PolarHBondContact O-ND2 3.36Å; V143-N146 PolarHBondContact O-N 2.91Å; E144-N146 VanDerWaalsContact C-N 3.28Å; E144-N146 PolarHBondContact O-N 3.21Å; N146-S150 WeakPolarHBondContact O-CB 3.29Å; N146-S150 PolarHBondContact O-N 3.01Å; N146-S150 PolarHBondContact O-OG 3.48Å
147	L	49.8	Very low	53.1	Low	42 Å²	42	89.2 Å²	89.2	22%	0.22	48%	0.48	C	S	.	.	H	α-helix	trans	-62.2	-49.8	173	-79.8	164.5	0	0	0	111.3	V143 E144 K149 S150 N151 Y228	V143-L147 HydrophobicContact CG1-CD1 3.8Å; V143-L147 HydrophobicContact CG1-CG 4.37Å; V143-L147 WeakPolarHBondContact O-CB 3.43Å; V143-L147 VanDerWaalsContact O-CG 3.25Å; V143-L147 WeakPolarHBondContact O-CG 3.25Å; V143-L147 PolarHBondContact O-N 3.42Å; E144-L147 WeakPolarHBondContact O-CB 3.27Å; E144-L147 PolarHBondContact O-N 3.47Å; E144-L147 VanDerWaalsContact O-N 3.13Å; L147-K149 VanDerWaalsContact C-N 3.34Å; L147-K149 PolarHBondContact O-N 3.08Å; L147-S150 PolarHBondContact O-N 3.32Å; L147-N151 WeakPolarHBondContact O-CB 3.35Å; L147-N151 PolarHBondContact O-N 2.97Å; L147-Y228 HydrophobicContact CD2-CD1 4.4Å; L147-Y228 HydrophobicContact CD2-CE1 3.25Å; L147-Y228 VanDerWaalsContact CD2-CZ 3.42Å; L147-Y228 WeakPolarHBondContact CD2-OH 3.35Å
148	W	58.6	Low	54.6	Low	54 Å²	54	85.7 Å²	85.7	21%	0.205	46%	0.456	C	S	.	.	H	α-helix	trans	-63.8	-38.3	179.3	-59.1	134.6	0	0	0	112.5	E144 N151 L154 H155 Q158	E144-W148 HydrophobicContact CG-CZ2 4.26Å; E144-W148 VanDerWaalsContact O-CG 3.23Å; E144-W148 PolarHBondContact O-N 3.34Å; E144-W148 PolarHBondContact OE1-NE1 2.85Å; W148-N151 CarbonylContact O-C 3.38Å; W148-L154 HydrophobicContact CE3-CD2 4.05Å; W148-L154 HydrophobicContact CE3-CG 4.49Å; W148-L154 HydrophobicContact CH2-CD2 4.09Å; W148-L154 HydrophobicContact CZ3-CB 4.15Å; W148-L154 HydrophobicContact CZ3-CD2 3.44Å; W148-L154 VanDerWaalsContact CZ3-CD2 3.44Å; W148-L154 HydrophobicContact CZ3-CG 3.72Å; W148-H155 HydrophobicContact CB-CB 4.28Å; W148-H155 HydrophobicContact CD2-CB 4.3Å; W148-H155 AromaticContact CD2-ND1 3.51Å; W148-H155 VanDerWaalsContact CE3-CA 3.41Å; W148-H155 HydrophobicContact CE3-CB 3.66Å; W148-H155 AromaticContact CE3-ND1 3.66Å; W148-H155 AromaticContact CG-ND1 3.54Å; W148-H155 HydrophobicContact CZ3-CB 4.39Å; W148-Q158 HydrophobicContact CH2-CB 3.66Å; W148-Q158 HydrophobicContact CH2-CG 3.68Å; W148-Q158 HydrophobicContact CZ2-CB 4.49Å; W148-Q158 HydrophobicContact CZ2-CG 4.13Å; W148-Q158 HydrophobicContact CZ3-CB 3.9Å; W148-Q158 HydrophobicContact CZ3-CG 4.4Å
149	K	60.7	Low	56.7	Low	151 Å²	151	84 Å²	84	66%	0.657	43%	0.434	S	S	*	.	H	α-helix	trans	-64.7	-41	175.4	-81.3	179.7	177	-173.1	0	113	K145 L147	K145-K149 WeakPolarHBondContact O-CB 3.5Å; K145-K149 VanDerWaalsContact O-CG 3.29Å; K145-K149 WeakPolarHBondContact O-CG 3.02Å; K145-K149 PolarHBondContact O-N 2.93Å; L147-K149 VanDerWaalsContact C-N 3.34Å; L147-K149 PolarHBondContact O-N 3.08Å
150	S	51	Low	58.6	Low	89 Å²	89	86 Å²	86	62%	0.622	44%	0.439	S	S	*	.	H	α-helix	trans	-80.6	-20.4	-177.8	-55.8	0	0	0	0	112.7	N146 L147	N146-S150 WeakPolarHBondContact O-CB 3.29Å; N146-S150 PolarHBondContact O-N 3.01Å; N146-S150 PolarHBondContact O-OG 3.48Å; L147-S150 PolarHBondContact O-N 3.32Å
151	N	58.6	Low	60.3	Low	53 Å²	53	79.3 Å²	79.3	28%	0.283	40%	0.403	S	S	.	.			trans	-133.2	73.1	-175.8	-65.8	-75.3	0	0	0	112	L147 W148 K153 L154 H155	L147-N151 WeakPolarHBondContact O-CB 3.35Å; L147-N151 PolarHBondContact O-N 2.97Å; W148-N151 CarbonylContact O-C 3.38Å; N151-K153 PolarHBondContact O-N 3.09Å; N151-K153 VanDerWaalsContact O-N 3.13Å; N151-L154 HydrophobicContact CB-CB 3.87Å; N151-L154 WeakPolarHBondContact O-CB 3.09Å; N151-L154 PolarHBondContact O-N 3.11Å; N151-H155 PolarHBondContact O-N 3.42Å; N151-H155 VanDerWaalsContact O-N 3.09Å
152	P	66.5	Low	62	Low	80 Å²	80	75.9 Å²	75.9	52%	0.519	39%	0.389	S	S	.	.	H	α-helix	trans	-59	-28.5	-179.9	21.5	-32.4	0	0	0	113.1	H155 N156	P152-H155 PolarHBondContact O-N 3.04Å; P152-N156 VanDerWaalsContact O-CG 3.23Å; P152-N156 PolarHBondContact O-N 3.13Å; P152-N156 PolarHBondContact O-OD1 3.25Å
153	K	69.6	Low	63.8	Low	166 Å²	166	78.9 Å²	78.9	72%	0.722	40%	0.396	S	S	*	.	H	α-helix	trans	-64.7	-45.4	173.9	-72.5	-176.9	178.5	179.6	0	112.6	N151 H155 N156 M157	N151-K153 PolarHBondContact O-N 3.09Å; N151-K153 VanDerWaalsContact O-N 3.13Å; K153-H155 VanDerWaalsContact C-N 3.28Å; K153-H155 PolarHBondContact O-N 2.95Å; K153-N156 PolarHBondContact O-N 2.65Å; K153-M157 WeakPolarHBondContact O-CG 3.25Å; K153-M157 PolarHBondContact O-N 2.61Å
154	L	61.9	Low	65.3	Low	20 Å²	20	76.7 Å²	76.7	11%	0.105	38%	0.381	C	S	.	.	H	α-helix	trans	-62.8	-41.4	176.5	-166.5	90.3	0	0	0	109.9	W148 N151 N156 M157 Q158 T224	W148-L154 HydrophobicContact CE3-CD2 4.05Å; W148-L154 HydrophobicContact CE3-CG 4.49Å; W148-L154 HydrophobicContact CH2-CD2 4.09Å; W148-L154 HydrophobicContact CZ3-CB 4.15Å; W148-L154 HydrophobicContact CZ3-CD2 3.44Å; W148-L154 VanDerWaalsContact CZ3-CD2 3.44Å; W148-L154 HydrophobicContact CZ3-CG 3.72Å; N151-L154 HydrophobicContact CB-CB 3.87Å; N151-L154 WeakPolarHBondContact O-CB 3.09Å; N151-L154 PolarHBondContact O-N 3.11Å; L154-N156 PolarHBondContact O-N 2.86Å; L154-M157 PolarHBondContact O-N 3.47Å; L154-Q158 WeakPolarHBondContact O-CB 3.28Å; L154-Q158 PolarHBondContact O-N 2.93Å; L154-T224 HydrophobicContact CD1-CG2 3.8Å
155	H	65	Low	66.9	Low	67 Å²	67	78.5 Å²	78.5	31%	0.31	38%	0.384	S	S	.	.	H	α-helix	trans	-60.3	-45.1	176.8	-169.5	56.9	0	0	0	112.2	W148 N151 P152 K153 Q158 N159	W148-H155 HydrophobicContact CB-CB 4.28Å; W148-H155 HydrophobicContact CD2-CB 4.3Å; W148-H155 AromaticContact CD2-ND1 3.51Å; W148-H155 VanDerWaalsContact CE3-CA 3.41Å; W148-H155 HydrophobicContact CE3-CB 3.66Å; W148-H155 AromaticContact CE3-ND1 3.66Å; W148-H155 AromaticContact CG-ND1 3.54Å; W148-H155 HydrophobicContact CZ3-CB 4.39Å; N151-H155 PolarHBondContact O-N 3.42Å; N151-H155 VanDerWaalsContact O-N 3.09Å; P152-H155 PolarHBondContact O-N 3.04Å; K153-H155 VanDerWaalsContact C-N 3.28Å; K153-H155 PolarHBondContact O-N 2.95Å; H155-Q158 PolarHBondContact O-N 2.68Å; H155-N159 PolarHBondContact NE2-ND2 3.19Å; H155-N159 VanDerWaalsContact O-CG 3.22Å; H155-N159 PolarHBondContact O-N 2.65Å; H155-N159 PolarHBondContact O-ND2 2.99Å
156	N	72.3	Confident	68.3	Low	92 Å²	92	74.4 Å²	74.4	49%	0.492	38%	0.375	S	S	.	.	H	α-helix	trans	-64.3	-44.2	177.1	-69.3	-9	0	0	0	112.1	P152 K153 L154 Q158 N159 E160	P152-N156 VanDerWaalsContact O-CG 3.23Å; P152-N156 PolarHBondContact O-N 3.13Å; P152-N156 PolarHBondContact O-OD1 3.25Å; K153-N156 PolarHBondContact O-N 2.65Å; L154-N156 PolarHBondContact O-N 2.86Å; N156-Q158 VanDerWaalsContact C-N 3.32Å; N156-Q158 PolarHBondContact O-N 3.4Å; N156-N159 WeakPolarHBondContact O-CB 3.43Å; N156-N159 PolarHBondContact O-N 3.48Å; N156-N159 VanDerWaalsContact O-N 3.16Å; N156-E160 PolarHBondContact O-N 2.79Å
157	M	70.7	Confident	69.8	Low	46 Å²	46	74.5 Å²	74.5	23%	0.227	37%	0.374	C	S	.	.	H	α-helix	trans	-62.6	-39.6	176.9	-69.5	174	-176.7	0	0	111.9	K153 L154 N159 E160 V161	K153-M157 WeakPolarHBondContact O-CG 3.25Å; K153-M157 PolarHBondContact O-N 2.61Å; L154-M157 PolarHBondContact O-N 3.47Å; M157-N159 VanDerWaalsContact C-N 3.32Å; M157-N159 PolarHBondContact O-N 3.21Å; M157-E160 PolarHBondContact O-N 3.24Å; M157-V161 PolarHBondContact O-N 2.96Å; M157-V161 VanDerWaalsContact O-N 3.09Å
158	Q	70.7	Confident	71.1	Confident	43 Å²	43	75 Å²	75	20%	0.201	38%	0.376	C	S	.	.	H	α-helix	trans	-65	-38.1	175.1	-173.8	59.9	39.2	0	0	111.7	W148 L154 H155 N156 V161 N162 N221	W148-Q158 HydrophobicContact CH2-CB 3.66Å; W148-Q158 HydrophobicContact CH2-CG 3.68Å; W148-Q158 HydrophobicContact CZ2-CB 4.49Å; W148-Q158 HydrophobicContact CZ2-CG 4.13Å; W148-Q158 HydrophobicContact CZ3-CB 3.9Å; W148-Q158 HydrophobicContact CZ3-CG 4.4Å; L154-Q158 WeakPolarHBondContact O-CB 3.28Å; L154-Q158 PolarHBondContact O-N 2.93Å; H155-Q158 PolarHBondContact O-N 2.68Å; N156-Q158 VanDerWaalsContact C-N 3.32Å; N156-Q158 PolarHBondContact O-N 3.4Å; Q158-V161 PolarHBondContact O-N 2.72Å; Q158-N162 PolarHBondContact NE2-OD1 3.38Å; Q158-N162 WeakPolarHBondContact O-CB 3.39Å; Q158-N162 PolarHBondContact O-N 3.09Å; Q158-N162 PolarHBondContact O-ND2 3.02Å; Q158-N221 PolarHBondContact OE1-ND2 3.48Å
159	N	78.3	Confident	72.4	Confident	57 Å²	57	79.5 Å²	79.5	31%	0.305	40%	0.397	S	S	.	.	H	α-helix	trans	-65	-43.5	175.4	-69.3	-23.1	0	0	0	111.4	H155 N156 M157 V161 N162 E163	H155-N159 PolarHBondContact NE2-ND2 3.19Å; H155-N159 VanDerWaalsContact O-CG 3.22Å; H155-N159 PolarHBondContact O-N 2.65Å; H155-N159 PolarHBondContact O-ND2 2.99Å; N156-N159 WeakPolarHBondContact O-CB 3.43Å; N156-N159 PolarHBondContact O-N 3.48Å; N156-N159 VanDerWaalsContact O-N 3.16Å; M157-N159 VanDerWaalsContact C-N 3.32Å; M157-N159 PolarHBondContact O-N 3.21Å; N159-V161 VanDerWaalsContact C-N 3.33Å; N159-V161 PolarHBondContact O-N 2.66Å; N159-N162 PolarHBondContact O-N 2.72Å; N159-N162 VanDerWaalsContact O-N 3.15Å; N159-E163 WeakPolarHBondContact O-CG 3.44Å; N159-E163 PolarHBondContact O-N 3.01Å
160	E	75.7	Confident	73.7	Confident	85 Å²	85	75.6 Å²	75.6	40%	0.397	38%	0.383	S	S	.	.	H	α-helix	trans	-56.5	-45.3	174.1	-72.4	174.5	-160.1	0	0	111.7	N156 M157 E163 L164	N156-E160 PolarHBondContact O-N 2.79Å; M157-E160 PolarHBondContact O-N 3.24Å; E160-E163 PolarHBondContact O-N 3.32Å; E160-L164 WeakPolarHBondContact O-CG 3.38Å; E160-L164 PolarHBondContact O-N 3.25Å
161	V	72.3	Confident	75.4	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.012	36%	0.358	C	S	.	.	H	α-helix	trans	-65.5	-40.6	176.5	171.4	0	0	0	0	111.6	M157 Q158 N159 L164 R165 A217 N221	M157-V161 PolarHBondContact O-N 2.96Å; M157-V161 VanDerWaalsContact O-N 3.09Å; Q158-V161 PolarHBondContact O-N 2.72Å; N159-V161 VanDerWaalsContact C-N 3.33Å; N159-V161 PolarHBondContact O-N 2.66Å; V161-L164 PolarHBondContact O-N 3.17Å; V161-R165 HydrophobicContact CG1-CG 4.47Å; V161-R165 WeakPolarHBondContact O-CB 3.49Å; V161-R165 VanDerWaalsContact O-CG 3.3Å; V161-R165 WeakPolarHBondContact O-CG 3.17Å; V161-R165 PolarHBondContact O-N 3.48Å; V161-A217 HydrophobicContact CG2-CB 4.47Å; V161-N221 HydrophobicContact CG2-CB 4.25Å
162	N	78.3	Confident	76.6	Confident	75 Å²	75	72.9 Å²	72.9	40%	0.401	36%	0.361	S	S	.	.	H	α-helix	trans	-66.1	-37.5	178.9	-72.7	-17.7	0	0	0	112.1	Q158 N159 R165 A166	Q158-N162 PolarHBondContact NE2-OD1 3.38Å; Q158-N162 WeakPolarHBondContact O-CB 3.39Å; Q158-N162 PolarHBondContact O-N 3.09Å; Q158-N162 PolarHBondContact O-ND2 3.02Å; N159-N162 PolarHBondContact O-N 2.72Å; N159-N162 VanDerWaalsContact O-N 3.15Å; N162-R165 PolarHBondContact O-N 3.31Å; N162-A166 WeakPolarHBondContact O-CB 3.43Å; N162-A166 PolarHBondContact O-N 2.84Å
163	E	82.2	Confident	77.8	Confident	129 Å²	129	75.9 Å²	75.9	60%	0.603	36%	0.361	S	S	*	.	H	α-helix	trans	-63.2	-48.1	175.8	-75.2	175	-175.9	0	0	111.3	N159 E160 R165 A166 I167	N159-E163 WeakPolarHBondContact O-CG 3.44Å; N159-E163 PolarHBondContact O-N 3.01Å; E160-E163 PolarHBondContact O-N 3.32Å; E163-R165 VanDerWaalsContact C-N 3.33Å; E163-R165 PolarHBondContact O-N 2.82Å; E163-A166 WeakPolarHBondContact O-CB 3.39Å; E163-A166 PolarHBondContact O-N 3.1Å; E163-A166 VanDerWaalsContact O-N 3.16Å; E163-I167 WeakPolarHBondContact O-CG1 3.11Å; E163-I167 PolarHBondContact O-N 3.49Å
164	L	76.4	Confident	78.8	Confident	42 Å²	42	71.6 Å²	71.6	22%	0.22	35%	0.346	C	S	.	.	H	α-helix	trans	-63.9	-38.8	177.6	-66.9	171.2	0	0	0	112.2	E160 V161 A166 I167 H168 L208 L214 A217	E160-L164 WeakPolarHBondContact O-CG 3.38Å; E160-L164 PolarHBondContact O-N 3.25Å; V161-L164 PolarHBondContact O-N 3.17Å; L164-A166 VanDerWaalsContact C-N 3.32Å; L164-A166 PolarHBondContact O-N 3.43Å; L164-I167 PolarHBondContact O-N 2.77Å; L164-H168 PolarHBondContact O-N 2.82Å; L164-L208 HydrophobicContact CD2-CD1 4.4Å; L164-L214 HydrophobicContact CB-CD1 3.8Å; L164-L214 HydrophobicContact CD1-CB 4.25Å; L164-L214 HydrophobicContact CD1-CD1 3.56Å; L164-L214 HydrophobicContact CG-CD1 4.29Å; L164-A217 HydrophobicContact CD1-CB 4.47Å
165	R	77.3	Confident	80.2	Confident	135 Å²	135	71.8 Å²	71.8	51%	0.509	35%	0.347	S	S	.	.	H	α-helix	trans	-65.5	-34.2	174.4	-75.5	176.7	177.8	177.3	1	112.7	V161 N162 E163 K169 E218	V161-R165 HydrophobicContact CG1-CG 4.47Å; V161-R165 WeakPolarHBondContact O-CB 3.49Å; V161-R165 VanDerWaalsContact O-CG 3.3Å; V161-R165 WeakPolarHBondContact O-CG 3.17Å; V161-R165 PolarHBondContact O-N 3.48Å; N162-R165 PolarHBondContact O-N 3.31Å; E163-R165 VanDerWaalsContact C-N 3.33Å; E163-R165 PolarHBondContact O-N 2.82Å; R165-K169 WeakPolarHBondContact O-CB 3.5Å; R165-K169 PolarHBondContact O-N 3.28Å; R165-E218 IonicContact NH2-OE1 2.66Å
166	A	85	Confident	81.3	Confident	48 Å²	48	72.7 Å²	72.7	40%	0.397	36%	0.358	S	S	.	.	H	α-helix	trans	-65.7	-45.2	174.8	0	0	0	0	0	110.9	N162 E163 L164 H168 K169 D170	N162-A166 WeakPolarHBondContact O-CB 3.43Å; N162-A166 PolarHBondContact O-N 2.84Å; E163-A166 WeakPolarHBondContact O-CB 3.39Å; E163-A166 PolarHBondContact O-N 3.1Å; E163-A166 VanDerWaalsContact O-N 3.16Å; L164-A166 VanDerWaalsContact C-N 3.32Å; L164-A166 PolarHBondContact O-N 3.43Å; A166-H168 PolarHBondContact O-N 3.02Å; A166-K169 PolarHBondContact O-N 2.87Å; A166-D170 VanDerWaalsContact O-CG 3.27Å; A166-D170 PolarHBondContact O-N 3.3Å
167	I	84	Confident	82.2	Confident	88 Å²	88	72.5 Å²	72.5	45%	0.451	35%	0.354	S	S	.	.	H	α-helix	trans	-59.4	-47.7	175.5	-64.1	166.6	0	0	0	110.8	E163 L164 K169 D170 L171 L208	E163-I167 WeakPolarHBondContact O-CG1 3.11Å; E163-I167 PolarHBondContact O-N 3.49Å; L164-I167 PolarHBondContact O-N 2.77Å; I167-K169 VanDerWaalsContact C-N 3.34Å; I167-K169 PolarHBondContact O-N 2.88Å; I167-D170 PolarHBondContact O-N 2.81Å; I167-D170 VanDerWaalsContact O-N 3.15Å; I167-L171 HydrophobicContact CG2-CD1 4.26Å; I167-L171 WeakPolarHBondContact O-CG 3.35Å; I167-L171 PolarHBondContact O-N 3.47Å; I167-L208 HydrophobicContact CG2-CD2 4.09Å
168	H	78.6	Confident	83.2	Confident	54 Å²	54	70.9 Å²	70.9	25%	0.25	35%	0.346	C	S	.	.	H	α-helix	trans	-58.2	-45.3	177.5	-178.7	-96	0	0	0	112.1	L164 A166 D170 L171 I172 L208 E209	L164-H168 PolarHBondContact O-N 2.82Å; A166-H168 PolarHBondContact O-N 3.02Å; H168-D170 VanDerWaalsContact C-N 3.28Å; H168-D170 PolarHBondContact O-N 2.76Å; H168-L171 PolarHBondContact O-N 3.45Å; H168-I172 VanDerWaalsContact O-CG1 3.3Å; H168-I172 WeakPolarHBondContact O-CG1 3.49Å; H168-I172 PolarHBondContact O-N 3.34Å; H168-L208 HydrophobicContact CB-CD2 3.79Å; H168-E209 IonicContact CD2-OE1 3.65Å; H168-E209 IonicContact CE1-OE1 3.29Å; H168-E209 IonicContact NE2-OE1 3.83Å; H168-E209 PolarHBondContact NE2-OE1 2.82Å
169	K	84.4	Confident	84.1	Confident	148 Å²	148	72.2 Å²	72.2	64%	0.643	35%	0.352	S	S	*	.	H	α-helix	trans	-62.7	-35.7	177.5	-174.2	179.4	179.1	-177.4	0	112.4	R165 A166 I167 R173	R165-K169 WeakPolarHBondContact O-CB 3.5Å; R165-K169 PolarHBondContact O-N 3.28Å; A166-K169 PolarHBondContact O-N 2.87Å; I167-K169 VanDerWaalsContact C-N 3.34Å; I167-K169 PolarHBondContact O-N 2.88Å; K169-R173 WeakPolarHBondContact O-CB 3.47Å; K169-R173 PolarHBondContact O-N 3.29Å; K169-R173 VanDerWaalsContact O-N 3.08Å
170	D	89.8	Confident	84.8	Confident	68 Å²	68	75.2 Å²	75.2	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-69.4	-46.1	178.1	-72.6	-4.2	0	0	0	111.2	A166 I167 H168 I172 R173 D174	A166-D170 VanDerWaalsContact O-CG 3.27Å; A166-D170 PolarHBondContact O-N 3.3Å; I167-D170 PolarHBondContact O-N 2.81Å; I167-D170 VanDerWaalsContact O-N 3.15Å; H168-D170 VanDerWaalsContact C-N 3.28Å; H168-D170 PolarHBondContact O-N 2.76Å; D170-I172 VanDerWaalsContact C-N 3.35Å; D170-I172 PolarHBondContact O-N 2.72Å; D170-R173 WeakPolarHBondContact O-CB 3.49Å; D170-R173 PolarHBondContact O-N 2.67Å; D170-R173 VanDerWaalsContact O-N 3.12Å; D170-R173 IonicContact OD1-CZ 3.13Å; D170-R173 IonicContact OD1-NE 2.65Å; D170-R173 IonicContact OD1-NH2 3.66Å; D170-R173 PolarHBondContact OD1-NH2 3.44Å; D170-R173 IonicContact OD2-NH2 3.77Å; D170-R173 PolarHBondContact OD2-NH2 2.71Å; D170-D174 PolarHBondContact O-N 3.22Å
171	L	85.3	Confident	85.7	Confident	21 Å²	21	74.8 Å²	74.8	11%	0.11	36%	0.361	C	S	.	.	H	α-helix	trans	-58.6	-43.7	174.4	-69.8	172.6	0	0	0	112.5	I167 H168 R173 D174 L175 L201 E204 I205 L208	I167-L171 HydrophobicContact CG2-CD1 4.26Å; I167-L171 WeakPolarHBondContact O-CG 3.35Å; I167-L171 PolarHBondContact O-N 3.47Å; H168-L171 PolarHBondContact O-N 3.45Å; L171-R173 VanDerWaalsContact C-N 3.31Å; L171-R173 PolarHBondContact O-N 3.27Å; L171-D174 PolarHBondContact O-N 3.38Å; L171-L175 WeakPolarHBondContact O-CB 3.36Å; L171-L175 PolarHBondContact O-N 3.42Å; L171-L201 HydrophobicContact CD2-CD2 3.96Å; L171-E204 HydrophobicContact CD1-CB 4.33Å; L171-E204 HydrophobicContact CD2-CB 4.35Å; L171-E204 WeakPolarHBondContact CD2-OE2 3.36Å; L171-I205 HydrophobicContact CB-CD1 4.25Å; L171-I205 HydrophobicContact CB-CG1 3.73Å; L171-I205 HydrophobicContact CD1-CG1 4.29Å; L171-L208 HydrophobicContact CD1-CD2 4.12Å
172	I	83.9	Confident	86.5	Confident	65 Å²	65	75.1 Å²	75.1	33%	0.333	36%	0.364	S	S	.	.	H	α-helix	trans	-62.3	-40.8	176.5	-68.5	-78.1	0	0	0	111.1	H168 D170 L175 V176 I205	H168-I172 VanDerWaalsContact O-CG1 3.3Å; H168-I172 WeakPolarHBondContact O-CG1 3.49Å; H168-I172 PolarHBondContact O-N 3.34Å; D170-I172 VanDerWaalsContact C-N 3.35Å; D170-I172 PolarHBondContact O-N 2.72Å; I172-L175 PolarHBondContact O-N 3.3Å; I172-V176 VanDerWaalsContact O-CG2 3.31Å; I172-V176 WeakPolarHBondContact O-CG2 3.3Å; I172-V176 PolarHBondContact O-N 3.46Å; I172-I205 HydrophobicContact CD1-CD1 3.87Å; I172-I205 HydrophobicContact CD1-CG2 4.44Å; I172-I205 HydrophobicContact CG1-CD1 4.34Å
173	R	91.8	Very high	87.1	Confident	143 Å²	143	80.7 Å²	80.7	54%	0.54	38%	0.379	S	S	.	.	H	α-helix	trans	-64.2	-44.2	177.8	168.1	171.1	52.6	120.5	-5.2	111.3	K169 D170 L171 V176 Q177	K169-R173 WeakPolarHBondContact O-CB 3.47Å; K169-R173 PolarHBondContact O-N 3.29Å; K169-R173 VanDerWaalsContact O-N 3.08Å; D170-R173 WeakPolarHBondContact O-CB 3.49Å; D170-R173 PolarHBondContact O-N 2.67Å; D170-R173 VanDerWaalsContact O-N 3.12Å; D170-R173 IonicContact OD1-CZ 3.13Å; D170-R173 IonicContact OD1-NE 2.65Å; D170-R173 IonicContact OD1-NH2 3.66Å; D170-R173 PolarHBondContact OD1-NH2 3.44Å; D170-R173 IonicContact OD2-NH2 3.77Å; D170-R173 PolarHBondContact OD2-NH2 2.71Å; L171-R173 VanDerWaalsContact C-N 3.31Å; L171-R173 PolarHBondContact O-N 3.27Å; R173-V176 PolarHBondContact O-N 3.34Å; R173-Q177 WeakPolarHBondContact O-CB 3.29Å; R173-Q177 PolarHBondContact O-N 2.89Å; R173-Q177 VanDerWaalsContact O-N 3.07Å
174	D	91.4	Very high	87.6	Confident	75 Å²	75	80.3 Å²	80.3	40%	0.401	38%	0.381	S	S	.	.	H	α-helix	trans	-65.5	-43.1	178.1	-68.7	-12.6	0	0	0	110.5	D170 L171 V176 Q177 T178 L201	D170-D174 PolarHBondContact O-N 3.22Å; L171-D174 PolarHBondContact O-N 3.38Å; D174-V176 PolarHBondContact O-N 3.05Å; D174-Q177 PolarHBondContact O-N 3.07Å; D174-Q177 VanDerWaalsContact O-N 3.17Å; D174-T178 WeakPolarHBondContact O-CB 3.47Å; D174-T178 PolarHBondContact O-N 3.26Å; D174-T178 PolarHBondContact O-OG1 2.86Å; D174-L201 HydrophobicContact CB-CD1 4.28Å; D174-L201 HydrophobicContact CB-CD2 4.2Å
175	L	89.8	Confident	88.4	Confident	24 Å²	24	79.5 Å²	79.5	13%	0.126	38%	0.378	C	S	.	.	H	α-helix	trans	-54.4	-52.2	174.1	175	64.2	0	0	0	111.9	L171 I172 Q177 T178 E179 V198 L201 I202 I205	L171-L175 WeakPolarHBondContact O-CB 3.36Å; L171-L175 PolarHBondContact O-N 3.42Å; I172-L175 PolarHBondContact O-N 3.3Å; L175-Q177 VanDerWaalsContact C-N 3.27Å; L175-Q177 PolarHBondContact O-N 3.19Å; L175-T178 PolarHBondContact O-N 2.93Å; L175-E179 HydrophobicContact CD1-CG 4.16Å; L175-E179 WeakPolarHBondContact O-CB 3.45Å; L175-E179 WeakPolarHBondContact O-CG 3.11Å; L175-E179 PolarHBondContact O-N 2.81Å; L175-V198 HydrophobicContact CD1-CB 4.38Å; L175-V198 HydrophobicContact CD1-CG1 3.84Å; L175-V198 HydrophobicContact CD1-CG2 4.44Å; L175-L201 HydrophobicContact CB-CB 4.37Å; L175-L201 HydrophobicContact CB-CD1 4.44Å; L175-L201 HydrophobicContact CD1-CB 4.21Å; L175-I202 HydrophobicContact CD1-CD1 4.35Å; L175-I202 HydrophobicContact CD1-CG1 3.86Å; L175-I202 HydrophobicContact CD2-CG1 4.21Å; L175-I205 HydrophobicContact CB-CD1 4.27Å; L175-I205 HydrophobicContact CD2-CD1 3.74Å
176	V	89.5	Confident	89.1	Confident	87 Å²	87	78.8 Å²	78.8	53%	0.527	39%	0.394	S	S	.	.	H	α-helix	trans	-61	-39.4	-179.4	169.2	0	0	0	0	111.3	I172 R173 D174 K180	I172-V176 VanDerWaalsContact O-CG2 3.31Å; I172-V176 WeakPolarHBondContact O-CG2 3.3Å; I172-V176 PolarHBondContact O-N 3.46Å; R173-V176 PolarHBondContact O-N 3.34Å; D174-V176 PolarHBondContact O-N 3.05Å; V176-K180 VanDerWaalsContact O-CB 3.28Å; V176-K180 WeakPolarHBondContact O-CB 3.23Å; V176-K180 PolarHBondContact O-N 3.42Å; V176-K180 VanDerWaalsContact O-N 3.11Å
177	Q	91.7	Very high	89.6	Confident	88 Å²	88	80.4 Å²	80.4	41%	0.411	40%	0.396	S	S	.	.	H	α-helix	trans	-69.8	-46.1	179.6	-177.3	58.2	27.7	0	0	111.3	R173 D174 L175 K180 E181	R173-Q177 WeakPolarHBondContact O-CB 3.29Å; R173-Q177 PolarHBondContact O-N 2.89Å; R173-Q177 VanDerWaalsContact O-N 3.07Å; D174-Q177 PolarHBondContact O-N 3.07Å; D174-Q177 VanDerWaalsContact O-N 3.17Å; L175-Q177 VanDerWaalsContact C-N 3.27Å; L175-Q177 PolarHBondContact O-N 3.19Å; Q177-K180 WeakPolarHBondContact O-CB 3.42Å; Q177-K180 PolarHBondContact O-N 3.35Å; Q177-E181 PolarHBondContact NE2-OE1 2.9Å; Q177-E181 WeakPolarHBondContact O-CG 3.42Å; Q177-E181 PolarHBondContact O-N 3.44Å
178	T	90.3	Very high	90	Very high	11 Å²	11	80.5 Å²	80.5	7%	0.067	40%	0.404	C	S	.	.	H	α-helix	trans	-64.9	-42.2	179	-55.5	0	0	0	0	111.5	D174 L175 K180 E181 A182 L194 E197 V198	D174-T178 WeakPolarHBondContact O-CB 3.47Å; D174-T178 PolarHBondContact O-N 3.26Å; D174-T178 PolarHBondContact O-OG1 2.86Å; L175-T178 PolarHBondContact O-N 2.93Å; T178-K180 VanDerWaalsContact C-N 3.32Å; T178-K180 PolarHBondContact O-N 3.16Å; T178-E181 PolarHBondContact O-N 2.95Å; T178-A182 WeakPolarHBondContact O-CB 3.25Å; T178-A182 PolarHBondContact O-N 2.85Å; T178-L194 HydrophobicContact CG2-CB 4.23Å; T178-L194 HydrophobicContact CG2-CD2 3.83Å; T178-E197 HydrophobicContact CG2-CB 3.98Å; T178-E197 HydrophobicContact CG2-CG 3.92Å; T178-V198 HydrophobicContact CG2-CG2 3.76Å
179	E	90.1	Very high	90.7	Very high	71 Å²	71	84.1 Å²	84.1	33%	0.332	43%	0.425	S	S	.	.	H	α-helix	trans	-59.2	-43.7	172.7	-79.2	-162.4	147	0	0	111.8	L175 E181 A182 R183 V198	L175-E179 HydrophobicContact CD1-CG 4.16Å; L175-E179 WeakPolarHBondContact O-CB 3.45Å; L175-E179 WeakPolarHBondContact O-CG 3.11Å; L175-E179 PolarHBondContact O-N 2.81Å; E179-E181 VanDerWaalsContact C-N 3.31Å; E179-E181 PolarHBondContact O-N 3.48Å; E179-A182 PolarHBondContact O-N 3.43Å; E179-R183 VanDerWaalsContact O-CG 3.31Å; E179-R183 WeakPolarHBondContact O-CG 3.4Å; E179-R183 PolarHBondContact O-N 3.34Å; E179-V198 HydrophobicContact CB-CG2 4.41Å; E179-V198 HydrophobicContact CG-CG1 3.98Å; E179-V198 HydrophobicContact CG-CG2 3.73Å
180	K	93	Very high	91.2	Very high	120 Å²	120	81.9 Å²	81.9	52%	0.522	42%	0.416	S	S	.	.	H	α-helix	trans	-63.3	-39.1	177.6	-178.1	-178.8	177.3	-173.9	0	111.1	V176 Q177 T178 N184	V176-K180 VanDerWaalsContact O-CB 3.28Å; V176-K180 WeakPolarHBondContact O-CB 3.23Å; V176-K180 PolarHBondContact O-N 3.42Å; V176-K180 VanDerWaalsContact O-N 3.11Å; Q177-K180 WeakPolarHBondContact O-CB 3.42Å; Q177-K180 PolarHBondContact O-N 3.35Å; T178-K180 VanDerWaalsContact C-N 3.32Å; T178-K180 PolarHBondContact O-N 3.16Å; K180-N184 WeakPolarHBondContact CG-ND2 3.15Å; K180-N184 WeakPolarHBondContact O-CB 3.23Å; K180-N184 VanDerWaalsContact O-CG 3.26Å; K180-N184 PolarHBondContact O-N 3.14Å; K180-N184 PolarHBondContact O-ND2 2.87Å
181	E	93.7	Very high	91.3	Very high	76 Å²	76	83 Å²	83	36%	0.355	42%	0.415	S	S	.	.	H	α-helix	trans	-68.2	-41.6	176	-72.2	-174.3	-158.7	0	0	112.3	Q177 T178 E179 R183 N184 T185 L194	Q177-E181 PolarHBondContact NE2-OE1 2.9Å; Q177-E181 WeakPolarHBondContact O-CG 3.42Å; Q177-E181 PolarHBondContact O-N 3.44Å; T178-E181 PolarHBondContact O-N 2.95Å; E179-E181 VanDerWaalsContact C-N 3.31Å; E179-E181 PolarHBondContact O-N 3.48Å; E181-R183 VanDerWaalsContact C-N 3.34Å; E181-R183 PolarHBondContact O-N 2.98Å; E181-N184 PolarHBondContact O-N 3.38Å; E181-T185 PolarHBondContact O-N 3.42Å; E181-L194 HydrophobicContact CB-CD1 3.92Å; E181-L194 HydrophobicContact CB-CD2 4.38Å
182	A	90.2	Very high	91.7	Very high	9 Å²	9	83.2 Å²	83.2	7%	0.074	42%	0.421	C	S	.	.	H	α-helix	trans	-61	-43.2	177.4	0	0	0	0	0	111.6	T178 E179 N184 L194	T178-A182 WeakPolarHBondContact O-CB 3.25Å; T178-A182 PolarHBondContact O-N 2.85Å; E179-A182 PolarHBondContact O-N 3.43Å; A182-N184 VanDerWaalsContact C-N 3.33Å; A182-N184 PolarHBondContact O-N 2.98Å; A182-L194 HydrophobicContact CB-CB 3.77Å; A182-L194 HydrophobicContact CB-CD1 4.37Å
183	R	90.3	Very high	92.2	Very high	193 Å²	193	84.4 Å²	84.4	73%	0.728	43%	0.428	S	S	*	.	H	α-helix	trans	-65.8	-34.2	177.3	-71.8	177.2	-172.5	-143.5	6	113.1	E179 E181	E179-R183 VanDerWaalsContact O-CG 3.31Å; E179-R183 WeakPolarHBondContact O-CG 3.4Å; E179-R183 PolarHBondContact O-N 3.34Å; E181-R183 VanDerWaalsContact C-N 3.34Å; E181-R183 PolarHBondContact O-N 2.98Å
184	N	93.9	Very high	92.3	Very high	121 Å²	121	78.1 Å²	78.1	65%	0.647	41%	0.405	S	S	*	.	H	α-helix	trans	-93.9	-10.4	-172.8	-70.2	-40	0	0	0	114.1	K180 E181 A182	K180-N184 WeakPolarHBondContact CG-ND2 3.15Å; K180-N184 WeakPolarHBondContact O-CB 3.23Å; K180-N184 VanDerWaalsContact O-CG 3.26Å; K180-N184 PolarHBondContact O-N 3.14Å; K180-N184 PolarHBondContact O-ND2 2.87Å; E181-N184 PolarHBondContact O-N 3.38Å; A182-N184 VanDerWaalsContact C-N 3.33Å; A182-N184 PolarHBondContact O-N 2.98Å
185	T	91.7	Very high	92.3	Very high	24 Å²	24	79.9 Å²	79.9	15%	0.147	41%	0.41	C	S	.	.			trans	-83	136.6	178	-165.1	0	0	0	0	112.1	E181 D187 K190 R191 L194	E181-T185 PolarHBondContact O-N 3.42Å; T185-D187 PolarHBondContact OG1-N 2.94Å; T185-K190 HydrophobicContact CG2-CB 4.46Å; T185-R191 HydrophobicContact CG2-CB 3.73Å; T185-R191 HydrophobicContact CG2-CG 4.29Å; T185-R191 PolarHBondContact O-NH2 3.07Å; T185-L194 HydrophobicContact CG2-CD1 4.25Å
186	S	92.3	Very high	92.5	Very high	120 Å²	120	85.6 Å²	85.6	84%	0.839	43%	0.43	S	S	*	.			trans	-89.8	-12.5	173.2	53.3	0	0	0	0	113.5
187	D	95.2	Very high	92.7	Very high	83 Å²	83	85.7 Å²	85.7	44%	0.444	43%	0.425	S	S	.	.			trans	-81.8	114.8	177.9	-179.5	-20.4	0	0	0	110	T185 N189 K190 R191	T185-D187 PolarHBondContact OG1-N 2.94Å; D187-N189 VanDerWaalsContact C-N 3.3Å; D187-N189 PolarHBondContact O-N 3.47Å; D187-N189 WeakPolarHBondContact OD1-CB 3.27Å; D187-N189 PolarHBondContact OD1-N 3.05Å; D187-K190 HydrophobicContact CB-CB 3.85Å; D187-K190 PolarHBondContact O-N 2.86Å; D187-K190 PolarHBondContact OD1-N 3.31Å; D187-R191 WeakPolarHBondContact O-CB 3.27Å; D187-R191 PolarHBondContact O-N 3.5Å
188	S	93.2	Very high	92.8	Very high	89 Å²	89	82.4 Å²	82.4	62%	0.622	41%	0.411	S	S	*	.	H	α-helix	trans	-62.4	-34.2	-178.7	-170	0	0	0	0	113.3	G192	S188-G192 PolarHBondContact O-N 2.85Å; S188-G192 VanDerWaalsContact O-N 3.08Å
189	N	93.5	Very high	92.9	Very high	131 Å²	131	87.6 Å²	87.6	70%	0.701	44%	0.435	S	S	*	.	H	α-helix	trans	-72.7	-43.7	178.9	-71.4	-23.2	0	0	0	110.1	D187 R191 G192 I193	D187-N189 VanDerWaalsContact C-N 3.3Å; D187-N189 PolarHBondContact O-N 3.47Å; D187-N189 WeakPolarHBondContact OD1-CB 3.27Å; D187-N189 PolarHBondContact OD1-N 3.05Å; N189-R191 VanDerWaalsContact C-N 3.32Å; N189-R191 PolarHBondContact O-N 3.45Å; N189-G192 PolarHBondContact O-N 2.73Å; N189-I193 WeakPolarHBondContact O-CG1 3.39Å; N189-I193 PolarHBondContact O-N 3.13Å; N189-I193 VanDerWaalsContact O-N 3.12Å
190	K	93.7	Very high	93	Very high	100 Å²	100	88.7 Å²	88.7	44%	0.435	44%	0.442	S	S	.	.	H	α-helix	trans	-61.5	-42.7	175	-170.9	175.4	179.1	-177.9	0	111.1	T185 D187 G192 I193 L194	T185-K190 HydrophobicContact CG2-CB 4.46Å; D187-K190 HydrophobicContact CB-CB 3.85Å; D187-K190 PolarHBondContact O-N 2.86Å; D187-K190 PolarHBondContact OD1-N 3.31Å; K190-G192 PolarHBondContact O-N 3.33Å; K190-I193 PolarHBondContact O-N 3.33Å; K190-L194 HydrophobicContact CG-CD1 4.04Å; K190-L194 WeakPolarHBondContact O-CG 3.39Å; K190-L194 PolarHBondContact O-N 2.87Å
191	R	93.5	Very high	92.9	Very high	93 Å²	93	83.7 Å²	83.7	35%	0.351	42%	0.422	S	S	.	.	H	α-helix	trans	-57.3	-49.3	175.6	-167.8	-179	-59.9	152.6	5.1	111.6	T185 D187 N189 I193 L194 E195	T185-R191 HydrophobicContact CG2-CB 3.73Å; T185-R191 HydrophobicContact CG2-CG 4.29Å; T185-R191 PolarHBondContact O-NH2 3.07Å; D187-R191 WeakPolarHBondContact O-CB 3.27Å; D187-R191 PolarHBondContact O-N 3.5Å; N189-R191 VanDerWaalsContact C-N 3.32Å; N189-R191 PolarHBondContact O-N 3.45Å; R191-I193 PolarHBondContact O-N 2.83Å; R191-L194 PolarHBondContact O-N 2.86Å; R191-L194 VanDerWaalsContact O-N 3.16Å; R191-E195 WeakPolarHBondContact CD-OE1 3.26Å; R191-E195 HydrophobicContact CG-CG 4.26Å; R191-E195 WeakPolarHBondContact CG-OE1 3.29Å; R191-E195 WeakPolarHBondContact O-CB 3.38Å; R191-E195 WeakPolarHBondContact O-CG 3.32Å; R191-E195 PolarHBondContact O-N 2.8Å
192	G	92.9	Very high	92.7	Very high	24 Å²	24	83.2 Å²	83.2	25%	0.247	42%	0.421	C	S	.	.	H	α-helix	trans	-68.6	-15.8	179.1	0	0	0	0	0	115.1	S188 N189 K190 R196	S188-G192 PolarHBondContact O-N 2.85Å; S188-G192 VanDerWaalsContact O-N 3.08Å; N189-G192 PolarHBondContact O-N 2.73Å; K190-G192 PolarHBondContact O-N 3.33Å; G192-R196 PolarHBondContact O-NE 3.43Å
193	I	94.9	Very high	92.8	Very high	91 Å²	91	87 Å²	87	47%	0.467	44%	0.44	S	S	.	.	H	α-helix	trans	-78.3	-49.8	168	-68	163.2	0	0	0	109.7	N189 K190 R191 E195 R196 E197	N189-I193 WeakPolarHBondContact O-CG1 3.39Å; N189-I193 PolarHBondContact O-N 3.13Å; N189-I193 VanDerWaalsContact O-N 3.12Å; K190-I193 PolarHBondContact O-N 3.33Å; R191-I193 PolarHBondContact O-N 2.83Å; I193-E195 VanDerWaalsContact C-N 3.32Å; I193-E195 PolarHBondContact O-N 3.12Å; I193-R196 VanDerWaalsContact CG1-NH2 3.31Å; I193-R196 WeakPolarHBondContact O-CB 3.26Å; I193-R196 PolarHBondContact O-N 2.8Å; I193-R196 VanDerWaalsContact O-N 3.15Å; I193-E197 PolarHBondContact O-N 3.22Å; I193-E197 VanDerWaalsContact O-N 3.08Å
194	L	94	Very high	92.7	Very high	11 Å²	11	82.9 Å²	82.9	6%	0.058	43%	0.429	C	S	.	.	H	α-helix	trans	-63.9	-36.2	-179.5	-66.9	166.2	0	0	0	112.3	T178 E181 A182 T185 K190 R191 R196 E197 V198	T178-L194 HydrophobicContact CG2-CB 4.23Å; T178-L194 HydrophobicContact CG2-CD2 3.83Å; E181-L194 HydrophobicContact CB-CD1 3.92Å; E181-L194 HydrophobicContact CB-CD2 4.38Å; A182-L194 HydrophobicContact CB-CB 3.77Å; A182-L194 HydrophobicContact CB-CD1 4.37Å; T185-L194 HydrophobicContact CG2-CD1 4.25Å; K190-L194 HydrophobicContact CG-CD1 4.04Å; K190-L194 WeakPolarHBondContact O-CG 3.39Å; K190-L194 PolarHBondContact O-N 2.87Å; R191-L194 PolarHBondContact O-N 2.86Å; R191-L194 VanDerWaalsContact O-N 3.16Å; L194-R196 VanDerWaalsContact C-N 3.3Å; L194-R196 PolarHBondContact O-N 2.61Å; L194-E197 PolarHBondContact O-N 3.29Å; L194-V198 WeakPolarHBondContact O-CG2 3.47Å; L194-V198 PolarHBondContact O-N 3.46Å
195	E	91.9	Very high	92.3	Very high	111 Å²	111	77.6 Å²	77.6	52%	0.519	40%	0.4	S	S	.	.	H	α-helix	trans	-63.6	-34.5	175.3	-75.4	170.5	173	0	0	112.3	R191 I193 E199	R191-E195 WeakPolarHBondContact CD-OE1 3.26Å; R191-E195 HydrophobicContact CG-CG 4.26Å; R191-E195 WeakPolarHBondContact CG-OE1 3.29Å; R191-E195 WeakPolarHBondContact O-CB 3.38Å; R191-E195 WeakPolarHBondContact O-CG 3.32Å; R191-E195 PolarHBondContact O-N 2.8Å; I193-E195 VanDerWaalsContact C-N 3.32Å; I193-E195 PolarHBondContact O-N 3.12Å; E195-E199 PolarHBondContact O-N 2.91Å
196	R	93.3	Very high	92.1	Very high	144 Å²	144	80.5 Å²	80.5	54%	0.543	42%	0.415	S	S	.	.	H	α-helix	trans	-70.9	-40.8	172.9	-77.4	-179.3	-74.7	130.3	-8.5	111.9	G192 I193 L194 V198 E199 D200	G192-R196 PolarHBondContact O-NE 3.43Å; I193-R196 VanDerWaalsContact CG1-NH2 3.31Å; I193-R196 WeakPolarHBondContact O-CB 3.26Å; I193-R196 PolarHBondContact O-N 2.8Å; I193-R196 VanDerWaalsContact O-N 3.15Å; L194-R196 VanDerWaalsContact C-N 3.3Å; L194-R196 PolarHBondContact O-N 2.61Å; R196-V198 VanDerWaalsContact C-N 3.3Å; R196-V198 PolarHBondContact O-N 2.87Å; R196-E199 WeakPolarHBondContact O-CB 3.47Å; R196-E199 PolarHBondContact O-N 3.13Å; R196-E199 VanDerWaalsContact O-N 3.11Å; R196-D200 PolarHBondContact O-N 3.04Å
197	E	94	Very high	91.9	Very high	90 Å²	90	77.8 Å²	77.8	42%	0.421	40%	0.4	S	S	.	.	H	α-helix	trans	-63.6	-36.2	175.6	-173	175.4	178.3	0	0	112	T178 I193 L194 D200 L201	T178-E197 HydrophobicContact CG2-CB 3.98Å; T178-E197 HydrophobicContact CG2-CG 3.92Å; I193-E197 PolarHBondContact O-N 3.22Å; I193-E197 VanDerWaalsContact O-N 3.08Å; L194-E197 PolarHBondContact O-N 3.29Å; E197-D200 PolarHBondContact O-N 2.72Å; E197-L201 HydrophobicContact CG-CD1 4.33Å; E197-L201 WeakPolarHBondContact O-CB 3.29Å; E197-L201 VanDerWaalsContact O-CG 3.3Å; E197-L201 WeakPolarHBondContact O-CG 3.44Å; E197-L201 PolarHBondContact O-N 3.29Å
198	V	92.3	Very high	91.3	Very high	18 Å²	18	75.2 Å²	75.2	11%	0.109	39%	0.386	C	S	.	.	H	α-helix	trans	-60.3	-44.9	170	164.9	0	0	0	0	111.2	L175 T178 E179 L194 R196 L201 I202	L175-V198 HydrophobicContact CD1-CB 4.38Å; L175-V198 HydrophobicContact CD1-CG1 3.84Å; L175-V198 HydrophobicContact CD1-CG2 4.44Å; T178-V198 HydrophobicContact CG2-CG2 3.76Å; E179-V198 HydrophobicContact CB-CG2 4.41Å; E179-V198 HydrophobicContact CG-CG1 3.98Å; E179-V198 HydrophobicContact CG-CG2 3.73Å; L194-V198 WeakPolarHBondContact O-CG2 3.47Å; L194-V198 PolarHBondContact O-N 3.46Å; R196-V198 VanDerWaalsContact C-N 3.3Å; R196-V198 PolarHBondContact O-N 2.87Å; V198-L201 PolarHBondContact O-N 3.01Å; V198-I202 HydrophobicContact CG1-CD1 3.84Å; V198-I202 VanDerWaalsContact O-CG1 3.26Å; V198-I202 WeakPolarHBondContact O-CG1 3.28Å; V198-I202 PolarHBondContact O-N 3.34Å
199	E	92.9	Very high	90.7	Very high	121 Å²	121	75.4 Å²	75.4	57%	0.565	38%	0.377	S	S	*	.	H	α-helix	trans	-64.1	-42.3	177.7	-172.2	171.3	-164.5	0	0	112	E195 R196 I202 N203	E195-E199 PolarHBondContact O-N 2.91Å; R196-E199 WeakPolarHBondContact O-CB 3.47Å; R196-E199 PolarHBondContact O-N 3.13Å; R196-E199 VanDerWaalsContact O-N 3.11Å; E199-I202 PolarHBondContact O-N 3.22Å; E199-N203 VanDerWaalsContact O-CG 3.26Å; E199-N203 PolarHBondContact O-N 3.47Å; E199-N203 PolarHBondContact O-ND2 3.27Å; E199-N203 VanDerWaalsContact O-ND2 3.11Å
200	D	92.7	Very high	90.1	Very high	93 Å²	93	72.1 Å²	72.1	50%	0.497	37%	0.368	S	S	.	.	H	α-helix	trans	-61.2	-46.5	175.4	-69.2	-25.9	0	0	0	111.4	R196 E197 I202 N203 E204	R196-D200 PolarHBondContact O-N 3.04Å; E197-D200 PolarHBondContact O-N 2.72Å; D200-I202 PolarHBondContact O-N 2.82Å; D200-N203 WeakPolarHBondContact O-CB 3.23Å; D200-N203 PolarHBondContact O-N 2.97Å; D200-N203 VanDerWaalsContact O-N 3.15Å; D200-E204 PolarHBondContact O-N 3.37Å
201	L	91.2	Very high	89.6	Confident	16 Å²	16	68.1 Å²	68.1	8%	0.084	35%	0.352	C	S	.	.	H	α-helix	trans	-62.4	-40.9	176.7	-74.9	165.4	0	0	0	112.6	L171 D174 L175 E197 V198 N203 E204 I205	L171-L201 HydrophobicContact CD2-CD2 3.96Å; D174-L201 HydrophobicContact CB-CD1 4.28Å; D174-L201 HydrophobicContact CB-CD2 4.2Å; L175-L201 HydrophobicContact CB-CB 4.37Å; L175-L201 HydrophobicContact CB-CD1 4.44Å; L175-L201 HydrophobicContact CD1-CB 4.21Å; E197-L201 HydrophobicContact CG-CD1 4.33Å; E197-L201 WeakPolarHBondContact O-CB 3.29Å; E197-L201 VanDerWaalsContact O-CG 3.3Å; E197-L201 WeakPolarHBondContact O-CG 3.44Å; E197-L201 PolarHBondContact O-N 3.29Å; V198-L201 PolarHBondContact O-N 3.01Å; L201-N203 VanDerWaalsContact C-N 3.3Å; L201-N203 PolarHBondContact O-N 2.91Å; L201-E204 PolarHBondContact O-N 2.88Å; L201-I205 WeakPolarHBondContact O-CD1 3.43Å; L201-I205 VanDerWaalsContact O-CG1 3.28Å; L201-I205 WeakPolarHBondContact O-CG1 3.36Å; L201-I205 PolarHBondContact O-N 3.15Å
202	I	89.8	Confident	89.1	Confident	66 Å²	66	68 Å²	68	34%	0.338	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-42.5	174.4	-72.1	166.8	0	0	0	110.3	L175 V198 E199 D200 I205 N206	L175-I202 HydrophobicContact CD1-CD1 4.35Å; L175-I202 HydrophobicContact CD1-CG1 3.86Å; L175-I202 HydrophobicContact CD2-CG1 4.21Å; V198-I202 HydrophobicContact CG1-CD1 3.84Å; V198-I202 VanDerWaalsContact O-CG1 3.26Å; V198-I202 WeakPolarHBondContact O-CG1 3.28Å; V198-I202 PolarHBondContact O-N 3.34Å; E199-I202 PolarHBondContact O-N 3.22Å; D200-I202 PolarHBondContact O-N 2.82Å; I202-I205 PolarHBondContact O-N 3.5Å; I202-N206 WeakPolarHBondContact CG2-ND2 3.49Å; I202-N206 WeakPolarHBondContact O-CB 3.34Å; I202-N206 PolarHBondContact O-N 2.92Å; I202-N206 PolarHBondContact O-ND2 2.94Å; I202-N206 VanDerWaalsContact O-ND2 3.12Å
203	N	90.9	Very high	88.5	Confident	88 Å²	88	73 Å²	73	47%	0.471	38%	0.381	S	S	.	.	H	α-helix	trans	-65	-40.3	177.6	-71.1	-34.5	0	0	0	112	E199 D200 L201 N206 A207	E199-N203 VanDerWaalsContact O-CG 3.26Å; E199-N203 PolarHBondContact O-N 3.47Å; E199-N203 PolarHBondContact O-ND2 3.27Å; E199-N203 VanDerWaalsContact O-ND2 3.11Å; D200-N203 WeakPolarHBondContact O-CB 3.23Å; D200-N203 PolarHBondContact O-N 2.97Å; D200-N203 VanDerWaalsContact O-N 3.15Å; L201-N203 VanDerWaalsContact C-N 3.3Å; L201-N203 PolarHBondContact O-N 2.91Å; N203-N206 PolarHBondContact O-N 3.42Å; N203-A207 WeakPolarHBondContact O-CB 3.42Å; N203-A207 PolarHBondContact O-N 2.9Å
204	E	89.5	Confident	87.6	Confident	107 Å²	107	69.6 Å²	69.6	50%	0.5	36%	0.364	S	S	.	.	H	α-helix	trans	-64.3	-43.9	175.4	-73.7	-175.9	-152.6	0	0	112.5	L171 D200 L201 A207 L208	L171-E204 HydrophobicContact CD1-CB 4.33Å; L171-E204 HydrophobicContact CD2-CB 4.35Å; L171-E204 WeakPolarHBondContact CD2-OE2 3.36Å; D200-E204 PolarHBondContact O-N 3.37Å; L201-E204 PolarHBondContact O-N 2.88Å; E204-A207 PolarHBondContact O-N 3.39Å; E204-L208 WeakPolarHBondContact O-CB 3.38Å; E204-L208 PolarHBondContact O-N 3.03Å
205	I	85.6	Confident	86.9	Confident	10 Å²	10	74.2 Å²	74.2	5%	0.051	38%	0.383	C	S	.	.	H	α-helix	trans	-60.4	-48.8	175.2	-69.5	161.6	0	0	0	110.1	L171 I172 L175 L201 I202 A207 L208 E209	L171-I205 HydrophobicContact CB-CD1 4.25Å; L171-I205 HydrophobicContact CB-CG1 3.73Å; L171-I205 HydrophobicContact CD1-CG1 4.29Å; I172-I205 HydrophobicContact CD1-CD1 3.87Å; I172-I205 HydrophobicContact CD1-CG2 4.44Å; I172-I205 HydrophobicContact CG1-CD1 4.34Å; L175-I205 HydrophobicContact CB-CD1 4.27Å; L175-I205 HydrophobicContact CD2-CD1 3.74Å; L201-I205 WeakPolarHBondContact O-CD1 3.43Å; L201-I205 VanDerWaalsContact O-CG1 3.28Å; L201-I205 WeakPolarHBondContact O-CG1 3.36Å; L201-I205 PolarHBondContact O-N 3.15Å; I202-I205 PolarHBondContact O-N 3.5Å; I205-A207 VanDerWaalsContact C-N 3.3Å; I205-A207 PolarHBondContact O-N 3.33Å; I205-L208 PolarHBondContact O-N 2.62Å; I205-E209 HydrophobicContact CG2-CG 4.35Å; I205-E209 WeakPolarHBondContact O-CB 3.4Å; I205-E209 WeakPolarHBondContact O-CG 3.46Å; I205-E209 PolarHBondContact O-N 3.14Å
206	N	86.7	Confident	86.3	Confident	84 Å²	84	70.7 Å²	70.7	45%	0.449	37%	0.373	S	S	.	.	H	α-helix	trans	-61.2	-39.2	178.7	-73.2	-30.5	0	0	0	111.9	I202 N203 A210	I202-N206 WeakPolarHBondContact CG2-ND2 3.49Å; I202-N206 WeakPolarHBondContact O-CB 3.34Å; I202-N206 PolarHBondContact O-N 2.92Å; I202-N206 PolarHBondContact O-ND2 2.94Å; I202-N206 VanDerWaalsContact O-ND2 3.12Å; N203-N206 PolarHBondContact O-N 3.42Å; N206-A210 WeakPolarHBondContact O-CB 3.25Å; N206-A210 PolarHBondContact O-N 3.3Å
207	A	87.6	Confident	85.4	Confident	64 Å²	64	64.2 Å²	64.2	53%	0.529	35%	0.35	S	S	.	.	H	α-helix	trans	-66.4	-40.3	177	0	0	0	0	0	111.9	N203 E204 I205 A210 S211	N203-A207 WeakPolarHBondContact O-CB 3.42Å; N203-A207 PolarHBondContact O-N 2.9Å; E204-A207 PolarHBondContact O-N 3.39Å; I205-A207 VanDerWaalsContact C-N 3.3Å; I205-A207 PolarHBondContact O-N 3.33Å; A207-A210 CarbonylContact O-C 3.57Å; A207-A210 PolarHBondContact O-N 3.09Å; A207-S211 PolarHBondContact O-N 3.19Å
208	L	83.2	Confident	84.6	Confident	28 Å²	28	63.7 Å²	63.7	15%	0.147	35%	0.347	C	S	.	.	H	α-helix	trans	-68.2	-43.8	176.8	-173.3	65	0	0	0	111.7	L164 I167 H168 L171 E204 I205 A210 S211 L214	L164-L208 HydrophobicContact CD2-CD1 4.4Å; I167-L208 HydrophobicContact CG2-CD2 4.09Å; H168-L208 HydrophobicContact CB-CD2 3.79Å; L171-L208 HydrophobicContact CD1-CD2 4.12Å; E204-L208 WeakPolarHBondContact O-CB 3.38Å; E204-L208 PolarHBondContact O-N 3.03Å; I205-L208 PolarHBondContact O-N 2.62Å; L208-A210 VanDerWaalsContact C-N 3.28Å; L208-A210 PolarHBondContact O-N 3.16Å; L208-S211 WeakPolarHBondContact O-CB 3.44Å; L208-S211 PolarHBondContact O-N 3.36Å; L208-S211 VanDerWaalsContact O-N 3.14Å; L208-L214 WeakPolarHBondContact O-CD2 3.05Å
209	E	80	Confident	84.1	Confident	94 Å²	94	69.2 Å²	69.2	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-67.5	-29.8	176.4	-70.6	-178.3	176.4	0	0	112.5	H168 I205	H168-E209 IonicContact CD2-OE1 3.65Å; H168-E209 IonicContact CE1-OE1 3.29Å; H168-E209 IonicContact NE2-OE1 3.83Å; H168-E209 PolarHBondContact NE2-OE1 2.82Å; I205-E209 HydrophobicContact CG2-CG 4.35Å; I205-E209 WeakPolarHBondContact O-CB 3.4Å; I205-E209 WeakPolarHBondContact O-CG 3.46Å; I205-E209 PolarHBondContact O-N 3.14Å
210	A	82.7	Confident	83.3	Confident	61 Å²	61	69.3 Å²	69.3	50%	0.504	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-7.4	173.5	0	0	0	0	0	113.8	N206 A207 L208 P212	N206-A210 WeakPolarHBondContact O-CB 3.25Å; N206-A210 PolarHBondContact O-N 3.3Å; A207-A210 CarbonylContact O-C 3.57Å; A207-A210 PolarHBondContact O-N 3.09Å; L208-A210 VanDerWaalsContact C-N 3.28Å; L208-A210 PolarHBondContact O-N 3.16Å; A210-P212 WeakPolarHBondContact O-CD 3.35Å
211	S	83	Confident	82.2	Confident	16 Å²	16	65.6 Å²	65.6	11%	0.112	35%	0.348	C	S	.	.			trans	-57.8	122.1	-174.6	164.6	0	0	0	0	111	A207 L208 E213 L214 K215	A207-S211 PolarHBondContact O-N 3.19Å; L208-S211 WeakPolarHBondContact O-CB 3.44Å; L208-S211 PolarHBondContact O-N 3.36Å; L208-S211 VanDerWaalsContact O-N 3.14Å; S211-E213 PolarHBondContact O-N 3.44Å; S211-E213 WeakPolarHBondContact OG-CB 3.44Å; S211-E213 PolarHBondContact OG-N 3.35Å; S211-E213 VanDerWaalsContact OG-N 3.14Å; S211-E213 PolarHBondContact OG-OE2 2.85Å; S211-L214 PolarHBondContact O-N 2.94Å; S211-L214 PolarHBondContact OG-N 3.04Å; S211-L214 VanDerWaalsContact OG-N 3.16Å; S211-K215 PolarHBondContact O-N 3.42Å; S211-K215 VanDerWaalsContact O-N 3.17Å
212	P	83.1	Confident	81.4	Confident	91 Å²	91	70 Å²	70	59%	0.591	37%	0.371	S	S	*	.	H	α-helix	trans	-57.5	-32.7	170.1	-23.6	33.9	0	0	0	112.1	A210 A216	A210-P212 WeakPolarHBondContact O-CD 3.35Å; P212-A216 WeakPolarHBondContact O-CB 3.25Å; P212-A216 PolarHBondContact O-N 2.9Å
213	E	78.8	Confident	80.5	Confident	129 Å²	129	70.6 Å²	70.6	60%	0.603	38%	0.375	S	S	*	.	H	α-helix	trans	-66.7	-45.9	179.4	-59.6	77	-165.6	0	0	112.1	S211 A216 A217	S211-E213 PolarHBondContact O-N 3.44Å; S211-E213 WeakPolarHBondContact OG-CB 3.44Å; S211-E213 PolarHBondContact OG-N 3.35Å; S211-E213 VanDerWaalsContact OG-N 3.14Å; S211-E213 PolarHBondContact OG-OE2 2.85Å; E213-A216 PolarHBondContact O-N 3.17Å; E213-A217 WeakPolarHBondContact O-CB 3.38Å; E213-A217 PolarHBondContact O-N 3.46Å
214	L	76	Confident	79.4	Confident	20 Å²	20	68.7 Å²	68.7	11%	0.105	37%	0.366	C	S	.	.	H	α-helix	trans	-62.5	-49	176.5	175.9	60.8	0	0	0	110.6	L164 L208 S211 A216 A217 E218	L164-L214 HydrophobicContact CB-CD1 3.8Å; L164-L214 HydrophobicContact CD1-CB 4.25Å; L164-L214 HydrophobicContact CD1-CD1 3.56Å; L164-L214 HydrophobicContact CG-CD1 4.29Å; L208-L214 WeakPolarHBondContact O-CD2 3.05Å; S211-L214 PolarHBondContact O-N 2.94Å; S211-L214 PolarHBondContact OG-N 3.04Å; S211-L214 VanDerWaalsContact OG-N 3.16Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-A216 PolarHBondContact O-N 3.04Å; L214-A217 PolarHBondContact O-N 3.24Å; L214-A217 VanDerWaalsContact O-N 3.14Å; L214-E218 HydrophobicContact CD1-CG 4.13Å; L214-E218 WeakPolarHBondContact O-CG 3.23Å; L214-E218 PolarHBondContact O-N 2.85Å
215	K	80.2	Confident	78	Confident	108 Å²	108	66.5 Å²	66.5	47%	0.47	36%	0.36	S	S	.	.	H	α-helix	trans	-59.3	-45.4	177.7	-71.7	-178.6	179.8	175.5	0	111.8	S211 A217 E218 E219	S211-K215 PolarHBondContact O-N 3.42Å; S211-K215 VanDerWaalsContact O-N 3.17Å; K215-A217 VanDerWaalsContact C-N 3.31Å; K215-A217 PolarHBondContact O-N 3.16Å; K215-E218 PolarHBondContact O-N 3.43Å; K215-E219 WeakPolarHBondContact O-CB 3.44Å; K215-E219 WeakPolarHBondContact O-CG 3.13Å; K215-E219 PolarHBondContact O-N 3.33Å
216	A	80	Confident	77.1	Confident	37 Å²	37	69.5 Å²	69.5	31%	0.306	38%	0.376	S	S	.	.	H	α-helix	trans	-66.6	-31.3	177.5	0	0	0	0	0	112.8	P212 E213 L214 R220	P212-A216 WeakPolarHBondContact O-CB 3.25Å; P212-A216 PolarHBondContact O-N 2.9Å; E213-A216 PolarHBondContact O-N 3.17Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-A216 PolarHBondContact O-N 3.04Å; A216-R220 VanDerWaalsContact O-CB 3.25Å; A216-R220 WeakPolarHBondContact O-CB 3.05Å; A216-R220 WeakPolarHBondContact O-CG 3.32Å; A216-R220 PolarHBondContact O-N 3.11Å; A216-R220 PolarHBondContact O-NE 3.47Å
217	A	74.2	Confident	76.1	Confident	7 Å²	7	71.6 Å²	71.6	6%	0.058	38%	0.381	C	S	.	.	H	α-helix	trans	-70.6	-45.1	174.1	0	0	0	0	0	111.5	V161 L164 E213 L214 K215 R220 N221	V161-A217 HydrophobicContact CG2-CB 4.47Å; L164-A217 HydrophobicContact CD1-CB 4.47Å; E213-A217 WeakPolarHBondContact O-CB 3.38Å; E213-A217 PolarHBondContact O-N 3.46Å; L214-A217 PolarHBondContact O-N 3.24Å; L214-A217 VanDerWaalsContact O-N 3.14Å; K215-A217 VanDerWaalsContact C-N 3.31Å; K215-A217 PolarHBondContact O-N 3.16Å; A217-R220 PolarHBondContact O-N 3.44Å; A217-N221 WeakPolarHBondContact O-CB 3.36Å; A217-N221 PolarHBondContact O-N 3.02Å
218	E	76.2	Confident	74.6	Confident	79 Å²	79	72 Å²	72	37%	0.369	37%	0.369	S	S	.	.	H	α-helix	trans	-63.8	-44.7	176.1	-69.9	-168.8	140.4	0	0	112	R165 L214 K215 N221 L222	R165-E218 IonicContact NH2-OE1 2.66Å; L214-E218 HydrophobicContact CD1-CG 4.13Å; L214-E218 WeakPolarHBondContact O-CG 3.23Å; L214-E218 PolarHBondContact O-N 2.85Å; K215-E218 PolarHBondContact O-N 3.43Å; E218-N221 PolarHBondContact O-N 3.02Å; E218-L222 WeakPolarHBondContact O-CB 3.2Å; E218-L222 PolarHBondContact O-N 3.2Å
219	E	81.7	Confident	73.3	Confident	135 Å²	135	76.3 Å²	76.3	63%	0.631	39%	0.388	S	S	*	.	H	α-helix	trans	-62	-45	175.9	-76.9	176.9	-175.7	0	0	112.1	K215 N221 L222 D223	K215-E219 WeakPolarHBondContact O-CB 3.44Å; K215-E219 WeakPolarHBondContact O-CG 3.13Å; K215-E219 PolarHBondContact O-N 3.33Å; E219-N221 VanDerWaalsContact C-N 3.33Å; E219-N221 PolarHBondContact O-N 2.98Å; E219-L222 PolarHBondContact O-N 2.88Å; E219-D223 WeakPolarHBondContact O-CB 2.99Å; E219-D223 PolarHBondContact O-N 3.07Å
220	R	75.5	Confident	72.3	Confident	123 Å²	123	79 Å²	79	46%	0.464	39%	0.394	S	S	.	.	H	α-helix	trans	-63.2	-40	176.3	-78.2	-179.3	-66.8	153.5	2.5	111.9	A216 A217 T224	A216-R220 VanDerWaalsContact O-CB 3.25Å; A216-R220 WeakPolarHBondContact O-CB 3.05Å; A216-R220 WeakPolarHBondContact O-CG 3.32Å; A216-R220 PolarHBondContact O-N 3.11Å; A216-R220 PolarHBondContact O-NE 3.47Å; A217-R220 PolarHBondContact O-N 3.44Å; R220-T224 VanDerWaalsContact O-CB 3.27Å; R220-T224 WeakPolarHBondContact O-CB 3.38Å; R220-T224 PolarHBondContact O-N 2.94Å; R220-T224 PolarHBondContact O-OG1 2.92Å
221	N	71.6	Confident	70.8	Confident	15 Å²	15	77.8 Å²	77.8	8%	0.08	39%	0.385	C	S	.	.	H	α-helix	trans	-66.3	-43.5	177	-167.7	7.1	0	0	0	110.7	Q158 V161 A217 E218 E219 T224 T225	Q158-N221 PolarHBondContact OE1-ND2 3.48Å; V161-N221 HydrophobicContact CG2-CB 4.25Å; A217-N221 WeakPolarHBondContact O-CB 3.36Å; A217-N221 PolarHBondContact O-N 3.02Å; E218-N221 PolarHBondContact O-N 3.02Å; E219-N221 VanDerWaalsContact C-N 3.33Å; E219-N221 PolarHBondContact O-N 2.98Å; N221-T224 PolarHBondContact O-N 2.94Å; N221-T225 VanDerWaalsContact O-CB 3.23Å; N221-T225 WeakPolarHBondContact O-CB 3.34Å; N221-T225 PolarHBondContact O-N 3.49Å; N221-T225 PolarHBondContact O-OG1 3.15Å; N221-T225 PolarHBondContact OD1-OG1 2.93Å
222	L	72.5	Confident	69.3	Low	109 Å²	109	80.5 Å²	80.5	57%	0.571	40%	0.397	S	S	*	.	H	α-helix	trans	-64	-51.2	177.7	-170	70.2	0	0	0	111.8	E218 E219 T224 T225 D226	E218-L222 WeakPolarHBondContact O-CB 3.2Å; E218-L222 PolarHBondContact O-N 3.2Å; E219-L222 PolarHBondContact O-N 2.88Å; L222-T224 VanDerWaalsContact C-N 3.3Å; L222-T224 PolarHBondContact O-N 3.46Å; L222-T225 PolarHBondContact O-N 3.3Å; L222-T225 VanDerWaalsContact O-N 3.13Å; L222-D226 WeakPolarHBondContact O-CB 3.43Å; L222-D226 PolarHBondContact O-N 3.14Å
223	D	72.3	Confident	67.9	Low	78 Å²	78	78.9 Å²	78.9	42%	0.417	38%	0.384	S	S	.	.	H	α-helix	trans	-59.5	-40	178.5	174.9	60.9	0	0	0	112	E219 K227	E219-D223 WeakPolarHBondContact O-CB 2.99Å; E219-D223 PolarHBondContact O-N 3.07Å; D223-K227 VanDerWaalsContact CG-NZ 3.34Å; D223-K227 WeakPolarHBondContact O-CB 3.47Å; D223-K227 VanDerWaalsContact O-CG 3.27Å; D223-K227 WeakPolarHBondContact O-CG 3.04Å; D223-K227 PolarHBondContact O-N 3.43Å; D223-K227 VanDerWaalsContact OD1-CE 3.23Å; D223-K227 WeakPolarHBondContact OD1-CE 3.38Å; D223-K227 IonicContact OD1-NZ 3.92Å; D223-K227 PolarHBondContact OD1-NZ 2.97Å; D223-K227 WeakPolarHBondContact OD2-CE 3.45Å; D223-K227 IonicContact OD2-NZ 2.95Å; D223-K227 PolarHBondContact OD2-NZ 3.48Å
224	T	66.6	Low	66.8	Low	47 Å²	47	77.3 Å²	77.3	29%	0.288	38%	0.38	S	S	.	.	H	α-helix	trans	-69.5	-40.8	176.5	-55.3	0	0	0	0	111.5	L154 R220 N221 L222 Y228	L154-T224 HydrophobicContact CD1-CG2 3.8Å; R220-T224 VanDerWaalsContact O-CB 3.27Å; R220-T224 WeakPolarHBondContact O-CB 3.38Å; R220-T224 PolarHBondContact O-N 2.94Å; R220-T224 PolarHBondContact O-OG1 2.92Å; N221-T224 PolarHBondContact O-N 2.94Å; L222-T224 VanDerWaalsContact C-N 3.3Å; L222-T224 PolarHBondContact O-N 3.46Å; T224-Y228 VanDerWaalsContact O-CB 3.29Å; T224-Y228 WeakPolarHBondContact O-CB 3.49Å; T224-Y228 PolarHBondContact O-N 3.48Å
225	T	61.5	Low	65.5	Low	61 Å²	61	81.9 Å²	81.9	37%	0.374	40%	0.4	S	S	.	.	H	α-helix	trans	-64.7	-44	177.3	-62.4	0	0	0	0	111	N221 L222 Y228 F229	N221-T225 VanDerWaalsContact O-CB 3.23Å; N221-T225 WeakPolarHBondContact O-CB 3.34Å; N221-T225 PolarHBondContact O-N 3.49Å; N221-T225 PolarHBondContact O-OG1 3.15Å; N221-T225 PolarHBondContact OD1-OG1 2.93Å; L222-T225 PolarHBondContact O-N 3.3Å; L222-T225 VanDerWaalsContact O-N 3.13Å; T225-Y228 PolarHBondContact O-N 3.02Å; T225-F229 WeakPolarHBondContact O-CB 3.45Å; T225-F229 PolarHBondContact O-N 2.71Å
226	D	66.7	Low	64.1	Low	74 Å²	74	80.6 Å²	80.6	40%	0.396	40%	0.398	S	S	.	.	H	α-helix	trans	-63.2	-50	177.6	-76.6	-14	0	0	0	110.8	L222 Y228 F229 Y230	L222-D226 WeakPolarHBondContact O-CB 3.43Å; L222-D226 PolarHBondContact O-N 3.14Å; D226-Y228 PolarHBondContact O-N 3.36Å; D226-F229 PolarHBondContact O-N 3.47Å; D226-F229 VanDerWaalsContact O-N 3.12Å; D226-Y230 HydrophobicContact CB-CD2 4.44Å; D226-Y230 HydrophobicContact CB-CE2 4.32Å; D226-Y230 WeakPolarHBondContact O-CD2 3.4Å; D226-Y230 PolarHBondContact O-N 3.34Å
227	K	65	Low	62.9	Low	127 Å²	127	84.2 Å²	84.2	55%	0.552	41%	0.409	S	S	*	.	H	α-helix	trans	-54.7	-40.7	174.6	-77.7	169.8	-178.9	161.4	0	112.1	D223 A231	D223-K227 VanDerWaalsContact CG-NZ 3.34Å; D223-K227 WeakPolarHBondContact O-CB 3.47Å; D223-K227 VanDerWaalsContact O-CG 3.27Å; D223-K227 WeakPolarHBondContact O-CG 3.04Å; D223-K227 PolarHBondContact O-N 3.43Å; D223-K227 VanDerWaalsContact OD1-CE 3.23Å; D223-K227 WeakPolarHBondContact OD1-CE 3.38Å; D223-K227 IonicContact OD1-NZ 3.92Å; D223-K227 PolarHBondContact OD1-NZ 2.97Å; D223-K227 WeakPolarHBondContact OD2-CE 3.45Å; D223-K227 IonicContact OD2-NZ 2.95Å; D223-K227 PolarHBondContact OD2-NZ 3.48Å; K227-A231 WeakPolarHBondContact O-CB 3.37Å; K227-A231 PolarHBondContact O-N 3.28Å
228	Y	56.8	Low	61.7	Low	72 Å²	72	88.3 Å²	88.3	28%	0.282	43%	0.429	S	S	.	.	H	α-helix	trans	-70.8	-40.8	178.6	-174.5	-101.9	0	0	0	112.4	L147 T224 T225 D226 A231 L232	L147-Y228 HydrophobicContact CD2-CD1 4.4Å; L147-Y228 HydrophobicContact CD2-CE1 3.25Å; L147-Y228 VanDerWaalsContact CD2-CZ 3.42Å; L147-Y228 WeakPolarHBondContact CD2-OH 3.35Å; T224-Y228 VanDerWaalsContact O-CB 3.29Å; T224-Y228 WeakPolarHBondContact O-CB 3.49Å; T224-Y228 PolarHBondContact O-N 3.48Å; T225-Y228 PolarHBondContact O-N 3.02Å; D226-Y228 PolarHBondContact O-N 3.36Å; Y228-A231 PolarHBondContact O-N 2.94Å; Y228-L232 HydrophobicContact CD1-CD1 3.78Å; Y228-L232 HydrophobicContact CD1-CG 4.22Å; Y228-L232 HydrophobicContact CE1-CD1 3.2Å; Y228-L232 HydrophobicContact CE1-CD2 4.4Å; Y228-L232 HydrophobicContact CE1-CG 3.71Å; Y228-L232 WeakPolarHBondContact O-CB 3.33Å; Y228-L232 PolarHBondContact O-N 3.45Å
229	F	55.9	Low	60.4	Low	120 Å²	120	89.8 Å²	89.8	53%	0.526	44%	0.439	S	S	.	.	H	α-helix	trans	-64.7	-40.7	175.6	-169.9	-103.5	0	0	0	111.5	T225 D226 L232 N233	T225-F229 WeakPolarHBondContact O-CB 3.45Å; T225-F229 PolarHBondContact O-N 2.71Å; D226-F229 PolarHBondContact O-N 3.47Å; D226-F229 VanDerWaalsContact O-N 3.12Å; F229-L232 PolarHBondContact O-N 3.3Å; F229-N233 WeakPolarHBondContact CD1-ND2 3.16Å; F229-N233 WeakPolarHBondContact CE1-ND2 3.39Å; F229-N233 WeakPolarHBondContact O-CB 3.43Å; F229-N233 PolarHBondContact O-N 2.91Å; F229-N233 PolarHBondContact O-ND2 2.98Å
230	Y	59	Low	58.8	Low	149 Å²	149	89.2 Å²	89.2	58%	0.584	43%	0.434	S	S	*	.	H	α-helix	trans	-61.3	-49.1	171.1	-75.9	-62	0	0	0	111.5	D226 L232 N233 D234	D226-Y230 HydrophobicContact CB-CD2 4.44Å; D226-Y230 HydrophobicContact CB-CE2 4.32Å; D226-Y230 WeakPolarHBondContact O-CD2 3.4Å; D226-Y230 PolarHBondContact O-N 3.34Å; Y230-L232 VanDerWaalsContact C-N 3.29Å; Y230-L232 PolarHBondContact O-N 3.32Å; Y230-N233 PolarHBondContact O-N 3.41Å; Y230-N233 VanDerWaalsContact O-N 3.1Å; Y230-D234 VanDerWaalsContact O-CG 3.31Å; Y230-D234 PolarHBondContact O-N 3Å
231	A	50	Low	57.7	Low	36 Å²	36	87 Å²	87	30%	0.298	43%	0.432	S	S	.	.	H	α-helix	trans	-60.5	-37	176.8	0	0	0	0	0	112.8	K227 Y228 H235	K227-A231 WeakPolarHBondContact O-CB 3.37Å; K227-A231 PolarHBondContact O-N 3.28Å; Y228-A231 PolarHBondContact O-N 2.94Å; A231-H235 WeakPolarHBondContact O-CB 3.36Å; A231-H235 VanDerWaalsContact O-CG 3.27Å; A231-H235 PolarHBondContact O-N 3.44Å; A231-H235 PolarHBondContact O-ND1 3.37Å
232	L	51.3	Low	56.6	Low	73 Å²	73	90.9 Å²	90.9	38%	0.382	45%	0.451	S	S	.	.	H	α-helix	trans	-67	-41.8	173.5	-83.8	178.6	0	0	0	112.2	Y228 F229 Y230 H235 L236	Y228-L232 HydrophobicContact CD1-CD1 3.78Å; Y228-L232 HydrophobicContact CD1-CG 4.22Å; Y228-L232 HydrophobicContact CE1-CD1 3.2Å; Y228-L232 HydrophobicContact CE1-CD2 4.4Å; Y228-L232 HydrophobicContact CE1-CG 3.71Å; Y228-L232 WeakPolarHBondContact O-CB 3.33Å; Y228-L232 PolarHBondContact O-N 3.45Å; F229-L232 PolarHBondContact O-N 3.3Å; Y230-L232 VanDerWaalsContact C-N 3.29Å; Y230-L232 PolarHBondContact O-N 3.32Å; L232-H235 PolarHBondContact O-N 2.95Å; L232-L236 VanDerWaalsContact O-CB 3.29Å; L232-L236 WeakPolarHBondContact O-CB 3.48Å; L232-L236 PolarHBondContact O-N 3.15Å
233	N	54.9	Low	55.4	Low	58 Å²	58	88.5 Å²	88.5	31%	0.31	44%	0.437	S	S	.	.	H	α-helix	trans	-66.4	-41.9	176.8	-76.5	-33.8	0	0	0	111.5	F229 Y230 H235 L236 E237	F229-N233 WeakPolarHBondContact CD1-ND2 3.16Å; F229-N233 WeakPolarHBondContact CE1-ND2 3.39Å; F229-N233 WeakPolarHBondContact O-CB 3.43Å; F229-N233 PolarHBondContact O-N 2.91Å; F229-N233 PolarHBondContact O-ND2 2.98Å; Y230-N233 PolarHBondContact O-N 3.41Å; Y230-N233 VanDerWaalsContact O-N 3.1Å; N233-H235 VanDerWaalsContact C-N 3.35Å; N233-H235 PolarHBondContact O-N 2.66Å; N233-L236 CarbonylContact O-C 3.44Å; N233-L236 PolarHBondContact O-N 3.44Å; N233-E237 VanDerWaalsContact O-CB 3.32Å; N233-E237 WeakPolarHBondContact O-CB 3.35Å; N233-E237 PolarHBondContact O-N 3.37Å
234	D	54.7	Low	54.3	Low	95 Å²	95	89 Å²	89	51%	0.508	44%	0.439	S	S	.	.	H	α-helix	trans	-59.4	-46.8	174.3	-70.5	-10.5	0	0	0	110.3	Y230 L236 E237 I238	Y230-D234 VanDerWaalsContact O-CG 3.31Å; Y230-D234 PolarHBondContact O-N 3Å; D234-L236 PolarHBondContact O-N 3.08Å; D234-E237 PolarHBondContact O-N 2.79Å; D234-I238 VanDerWaalsContact O-CG1 3.25Å; D234-I238 WeakPolarHBondContact O-CG1 3.46Å; D234-I238 PolarHBondContact O-N 2.9Å
235	H	48.3	Very low	53.5	Low	117 Å²	117	92.4 Å²	92.4	54%	0.542	45%	0.452	S	S	.	.	H	α-helix	trans	-62.3	-42.1	174.1	-72.9	131.2	0	0	0	112.4	A231 L232 N233 E237 I238 L239	A231-H235 WeakPolarHBondContact O-CB 3.36Å; A231-H235 VanDerWaalsContact O-CG 3.27Å; A231-H235 PolarHBondContact O-N 3.44Å; A231-H235 PolarHBondContact O-ND1 3.37Å; L232-H235 PolarHBondContact O-N 2.95Å; N233-H235 VanDerWaalsContact C-N 3.35Å; N233-H235 PolarHBondContact O-N 2.66Å; H235-E237 VanDerWaalsContact C-N 3.3Å; H235-E237 PolarHBondContact O-N 2.92Å; H235-I238 PolarHBondContact O-N 3.12Å; H235-L239 WeakPolarHBondContact O-CB 3.43Å; H235-L239 VanDerWaalsContact O-CG 3.25Å; H235-L239 WeakPolarHBondContact O-CG 3.44Å; H235-L239 PolarHBondContact O-N 3.4Å
236	L	51.9	Low	52.9	Low	80 Å²	80	91.8 Å²	91.8	42%	0.419	44%	0.443	S	S	.	.	H	α-helix	trans	-65.1	-36.3	177.8	-174.4	68.8	0	0	0	111.3	L232 N233 D234 L239 K240	L232-L236 VanDerWaalsContact O-CB 3.29Å; L232-L236 WeakPolarHBondContact O-CB 3.48Å; L232-L236 PolarHBondContact O-N 3.15Å; N233-L236 CarbonylContact O-C 3.44Å; N233-L236 PolarHBondContact O-N 3.44Å; D234-L236 PolarHBondContact O-N 3.08Å; L236-L239 PolarHBondContact O-N 3.42Å; L236-K240 WeakPolarHBondContact O-CB 3.08Å; L236-K240 VanDerWaalsContact O-CG 3.26Å; L236-K240 WeakPolarHBondContact O-CG 3.42Å; L236-K240 PolarHBondContact O-N 3.34Å
237	E	55.1	Low	51.7	Low	113 Å²	113	91.1 Å²	91.1	53%	0.528	44%	0.439	S	S	.	.	H	α-helix	trans	-70.8	-41.8	176.4	-171.5	160.9	-173	0	0	111.5	N233 D234 H235 L239 K240 N241	N233-E237 VanDerWaalsContact O-CB 3.32Å; N233-E237 WeakPolarHBondContact O-CB 3.35Å; N233-E237 PolarHBondContact O-N 3.37Å; D234-E237 PolarHBondContact O-N 2.79Å; H235-E237 VanDerWaalsContact C-N 3.3Å; H235-E237 PolarHBondContact O-N 2.92Å; E237-L239 VanDerWaalsContact C-N 3.33Å; E237-L239 PolarHBondContact O-N 2.9Å; E237-K240 PolarHBondContact O-N 2.88Å; E237-N241 WeakPolarHBondContact O-CB 3.32Å; E237-N241 VanDerWaalsContact O-CG 3.28Å; E237-N241 PolarHBondContact O-N 2.94Å; E237-N241 PolarHBondContact O-ND2 3.43Å
238	I	49.4	Very low	50.7	Low	94 Å²	94	90 Å²	90	48%	0.482	44%	0.439	S	S	.	.	H	α-helix	trans	-57.9	-47.5	169.5	-68.5	164.3	0	0	0	110.1	D234 H235 K240 N241 L242	D234-I238 VanDerWaalsContact O-CG1 3.25Å; D234-I238 WeakPolarHBondContact O-CG1 3.46Å; D234-I238 PolarHBondContact O-N 2.9Å; H235-I238 PolarHBondContact O-N 3.12Å; I238-K240 PolarHBondContact O-N 3.15Å; I238-N241 PolarHBondContact O-N 3.45Å; I238-L242 HydrophobicContact CG2-CD1 3.94Å; I238-L242 HydrophobicContact CG2-CG 4.4Å; I238-L242 WeakPolarHBondContact O-CB 3.12Å; I238-L242 VanDerWaalsContact O-CG 3.29Å; I238-L242 WeakPolarHBondContact O-CG 3.39Å; I238-L242 PolarHBondContact O-N 3.47Å
239	L	48.3	Very low	50.1	Low	110 Å²	110	91.9 Å²	91.9	58%	0.576	46%	0.457	S	S	*	.	H	α-helix	trans	-63	-40.9	177.6	-73.3	171.8	0	0	0	112.1	H235 L236 E237 L242 E243	H235-L239 WeakPolarHBondContact O-CB 3.43Å; H235-L239 VanDerWaalsContact O-CG 3.25Å; H235-L239 WeakPolarHBondContact O-CG 3.44Å; H235-L239 PolarHBondContact O-N 3.4Å; L236-L239 PolarHBondContact O-N 3.42Å; E237-L239 VanDerWaalsContact C-N 3.33Å; E237-L239 PolarHBondContact O-N 2.9Å; L239-L242 PolarHBondContact O-N 3.11Å; L239-E243 VanDerWaalsContact O-CB 3.23Å; L239-E243 WeakPolarHBondContact O-CB 3.49Å; L239-E243 PolarHBondContact O-N 3.12Å
240	K	48.7	Very low	49.4	Very low	122 Å²	122	88 Å²	88	53%	0.53	44%	0.442	S	S	.	.	H	α-helix	trans	-63.8	-41.4	174	-79.1	172.3	-179.8	174.8	0	111.8	L236 E237 I238 E243 I244	L236-K240 WeakPolarHBondContact O-CB 3.08Å; L236-K240 VanDerWaalsContact O-CG 3.26Å; L236-K240 WeakPolarHBondContact O-CG 3.42Å; L236-K240 PolarHBondContact O-N 3.34Å; E237-K240 PolarHBondContact O-N 2.88Å; I238-K240 PolarHBondContact O-N 3.15Å; K240-E243 CarbonylContact O-C 3.55Å; K240-E243 WeakPolarHBondContact O-CB 3.3Å; K240-E243 PolarHBondContact O-N 3.15Å; K240-I244 WeakPolarHBondContact O-CB 3.44Å; K240-I244 VanDerWaalsContact O-CG1 3.26Å; K240-I244 WeakPolarHBondContact O-CG1 3.3Å; K240-I244 PolarHBondContact O-N 2.98Å
241	N	50.5	Low	48.6	Very low	78 Å²	78	88.3 Å²	88.3	42%	0.417	45%	0.449	S	S	.	.	H	α-helix	trans	-68.2	-40.6	178.2	-74.1	-24.7	0	0	0	111.3	E237 I238 E243 I244 Q245	E237-N241 WeakPolarHBondContact O-CB 3.32Å; E237-N241 VanDerWaalsContact O-CG 3.28Å; E237-N241 PolarHBondContact O-N 2.94Å; E237-N241 PolarHBondContact O-ND2 3.43Å; I238-N241 PolarHBondContact O-N 3.45Å; N241-E243 VanDerWaalsContact C-N 3.32Å; N241-I244 PolarHBondContact O-N 3.36Å; N241-Q245 WeakPolarHBondContact O-CB 3.43Å; N241-Q245 VanDerWaalsContact O-CG 3.28Å; N241-Q245 WeakPolarHBondContact O-CG 3.46Å; N241-Q245 PolarHBondContact O-N 2.97Å
242	L	49.6	Very low	48.3	Very low	95 Å²	95	93.4 Å²	93.4	50%	0.497	47%	0.47	S	S	.	.	H	α-helix	trans	-63.5	-38.8	170.7	-70.2	172.3	0	0	0	111.3	I238 L239 R246	I238-L242 HydrophobicContact CG2-CD1 3.94Å; I238-L242 HydrophobicContact CG2-CG 4.4Å; I238-L242 WeakPolarHBondContact O-CB 3.12Å; I238-L242 VanDerWaalsContact O-CG 3.29Å; I238-L242 WeakPolarHBondContact O-CG 3.39Å; I238-L242 PolarHBondContact O-N 3.47Å; L239-L242 PolarHBondContact O-N 3.11Å; L242-R246 VanDerWaalsContact O-CB 3.25Å; L242-R246 WeakPolarHBondContact O-CB 3.38Å; L242-R246 PolarHBondContact O-N 2.99Å
243	E	47.9	Very low	48.2	Very low	59 Å²	59	92.3 Å²	92.3	28%	0.276	46%	0.464	S	S	.	.	H	α-helix	trans	-65.7	-42.3	174.9	-172.8	70.8	-170.1	0	0	111.7	L239 K240 N241 R246 I247	L239-E243 VanDerWaalsContact O-CB 3.23Å; L239-E243 WeakPolarHBondContact O-CB 3.49Å; L239-E243 PolarHBondContact O-N 3.12Å; K240-E243 CarbonylContact O-C 3.55Å; K240-E243 WeakPolarHBondContact O-CB 3.3Å; K240-E243 PolarHBondContact O-N 3.15Å; N241-E243 VanDerWaalsContact C-N 3.32Å; E243-R246 CarbonylContact O-C 3.5Å; E243-R246 WeakPolarHBondContact O-CA 3.49Å; E243-R246 WeakPolarHBondContact O-CB 3.4Å; E243-R246 PolarHBondContact O-N 2.89Å; E243-R246 IonicContact OE1-CZ 2.67Å; E243-R246 IonicContact OE1-NH1 2.81Å; E243-R246 PolarHBondContact OE1-NH1 3.48Å; E243-R246 VanDerWaalsContact OE1-NH1 3.11Å; E243-R246 IonicContact OE1-NH2 2.67Å; E243-R246 PolarHBondContact OE1-NH2 3.17Å; E243-R246 IonicContact OE2-CZ 2.96Å; E243-R246 VanDerWaalsContact OE2-CZ 3.29Å; E243-R246 IonicContact OE2-NH1 3.48Å; E243-R246 PolarHBondContact OE2-NH1 2.84Å; E243-R246 IonicContact OE2-NH2 2.78Å; E243-I247 HydrophobicContact CG-CD1 4.02Å; E243-I247 WeakPolarHBondContact O-CB 3.34Å; E243-I247 VanDerWaalsContact O-CG1 3.23Å; E243-I247 WeakPolarHBondContact O-CG1 3.4Å; E243-I247 PolarHBondContact O-N 3.42Å
244	I	48.3	Very low	48.1	Very low	88 Å²	88	92.3 Å²	92.3	45%	0.451	47%	0.469	S	S	.	.	H	α-helix	trans	-64.8	-47.5	175	-71.4	164.8	0	0	0	109.7	K240 N241 R246 I247 D248	K240-I244 WeakPolarHBondContact O-CB 3.44Å; K240-I244 VanDerWaalsContact O-CG1 3.26Å; K240-I244 WeakPolarHBondContact O-CG1 3.3Å; K240-I244 PolarHBondContact O-N 2.98Å; N241-I244 PolarHBondContact O-N 3.36Å; I244-R246 PolarHBondContact O-N 3.34Å; I244-I247 CarbonylContact O-C 3.5Å; I244-I247 PolarHBondContact O-N 3.4Å; I244-I247 VanDerWaalsContact O-N 3.09Å; I244-D248 WeakPolarHBondContact O-CB 3.37Å; I244-D248 PolarHBondContact O-N 3.08Å
245	Q	50.9	Low	47.9	Very low	120 Å²	120	91.3 Å²	91.3	56%	0.561	47%	0.469	S	S	*	.	H	α-helix	trans	-59.2	-36.8	173.2	-72.5	174.6	11.5	0	0	111.5	N241 V249	N241-Q245 WeakPolarHBondContact O-CB 3.43Å; N241-Q245 VanDerWaalsContact O-CG 3.28Å; N241-Q245 WeakPolarHBondContact O-CG 3.46Å; N241-Q245 PolarHBondContact O-N 2.97Å; Q245-V249 WeakPolarHBondContact O-CB 3.44Å; Q245-V249 WeakPolarHBondContact O-CG2 3.46Å; Q245-V249 PolarHBondContact O-N 3.07Å
246	R	46.8	Very low	48.4	Very low	47 Å²	47	92.8 Å²	92.8	18%	0.177	47%	0.474	C	S	.	.	H	α-helix	trans	-65.7	-46.5	173.4	-155.3	-167	82.6	-138.1	-12	110.6	L242 E243 I244 V249 L250	L242-R246 VanDerWaalsContact O-CB 3.25Å; L242-R246 WeakPolarHBondContact O-CB 3.38Å; L242-R246 PolarHBondContact O-N 2.99Å; E243-R246 CarbonylContact O-C 3.5Å; E243-R246 WeakPolarHBondContact O-CA 3.49Å; E243-R246 WeakPolarHBondContact O-CB 3.4Å; E243-R246 PolarHBondContact O-N 2.89Å; E243-R246 IonicContact OE1-CZ 2.67Å; E243-R246 IonicContact OE1-NH1 2.81Å; E243-R246 PolarHBondContact OE1-NH1 3.48Å; E243-R246 VanDerWaalsContact OE1-NH1 3.11Å; E243-R246 IonicContact OE1-NH2 2.67Å; E243-R246 PolarHBondContact OE1-NH2 3.17Å; E243-R246 IonicContact OE2-CZ 2.96Å; E243-R246 VanDerWaalsContact OE2-CZ 3.29Å; E243-R246 IonicContact OE2-NH1 3.48Å; E243-R246 PolarHBondContact OE2-NH1 2.84Å; E243-R246 IonicContact OE2-NH2 2.78Å; I244-R246 PolarHBondContact O-N 3.34Å; R246-V249 PolarHBondContact O-N 3.35Å; R246-L250 HydrophobicContact CG-CD1 3.59Å; R246-L250 HydrophobicContact CG-CG 4.13Å; R246-L250 WeakPolarHBondContact O-CB 3.38Å; R246-L250 WeakPolarHBondContact O-CG 3.28Å; R246-L250 PolarHBondContact O-N 3.04Å
247	I	43.2	Very low	48.6	Very low	61 Å²	61	93 Å²	93	31%	0.313	47%	0.473	S	S	.	.	H	α-helix	trans	-62.7	-46.1	177.1	-71.7	168.3	0	0	0	109.8	E243 I244 V249 L250 E251	E243-I247 HydrophobicContact CG-CD1 4.02Å; E243-I247 WeakPolarHBondContact O-CB 3.34Å; E243-I247 VanDerWaalsContact O-CG1 3.23Å; E243-I247 WeakPolarHBondContact O-CG1 3.4Å; E243-I247 PolarHBondContact O-N 3.42Å; I244-I247 CarbonylContact O-C 3.5Å; I244-I247 PolarHBondContact O-N 3.4Å; I244-I247 VanDerWaalsContact O-N 3.09Å; I247-V249 VanDerWaalsContact C-N 3.27Å; I247-V249 PolarHBondContact O-N 3.45Å; I247-L250 CarbonylContact O-C 3.56Å; I247-L250 PolarHBondContact O-N 2.96Å; I247-E251 HydrophobicContact CG2-CB 4.41Å; I247-E251 HydrophobicContact CG2-CG 3.69Å; I247-E251 VanDerWaalsContact O-CB 3.28Å; I247-E251 WeakPolarHBondContact O-CB 3.3Å; I247-E251 PolarHBondContact O-N 3.44Å
248	D	44.1	Very low	48.7	Very low	104 Å²	104	90.8 Å²	90.8	56%	0.556	46%	0.46	S	S	*	.	H	α-helix	trans	-59.5	-37	176.5	-72.1	-19.4	0	0	0	112.1	I244	I244-D248 WeakPolarHBondContact O-CB 3.37Å; I244-D248 PolarHBondContact O-N 3.08Å
249	V	44.2	Very low	49.2	Very low	111 Å²	111	89.4 Å²	89.4	67%	0.673	45%	0.453	S	S	*	.	H	α-helix	trans	-78	-25.4	175.1	172.3	0	0	0	0	112.4	Q245 R246 I247	Q245-V249 WeakPolarHBondContact O-CB 3.44Å; Q245-V249 WeakPolarHBondContact O-CG2 3.46Å; Q245-V249 PolarHBondContact O-N 3.07Å; R246-V249 PolarHBondContact O-N 3.35Å; I247-V249 VanDerWaalsContact C-N 3.27Å; I247-V249 PolarHBondContact O-N 3.45Å
250	L	40.4	Very low	50.1	Low	37 Å²	37	88.7 Å²	88.7	19%	0.194	45%	0.446	C	S	.	.	H	α-helix	trans	-105.4	-22.2	-173.1	-66	-174.4	0	0	0	115.3	R246 I247 L252 L253 R258	R246-L250 HydrophobicContact CG-CD1 3.59Å; R246-L250 HydrophobicContact CG-CG 4.13Å; R246-L250 WeakPolarHBondContact O-CB 3.38Å; R246-L250 WeakPolarHBondContact O-CG 3.28Å; R246-L250 PolarHBondContact O-N 3.04Å; I247-L250 CarbonylContact O-C 3.56Å; I247-L250 PolarHBondContact O-N 2.96Å; L250-L252 PolarHBondContact O-N 3.11Å; L250-L253 CarbonylContact O-C 3.52Å; L250-L253 PolarHBondContact O-N 3.18Å; L250-R258 VanDerWaalsContact CD2-CD 3.44Å
251	E	41.6	Very low	50.7	Low	157 Å²	157	86.7 Å²	86.7	73%	0.734	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-3.7	176.1	-92.9	-173.8	170.1	0	0	112.8	I247	I247-E251 HydrophobicContact CG2-CB 4.41Å; I247-E251 HydrophobicContact CG2-CG 3.69Å; I247-E251 VanDerWaalsContact O-CB 3.28Å; I247-E251 WeakPolarHBondContact O-CB 3.3Å; I247-E251 PolarHBondContact O-N 3.44Å
252	L	44.7	Very low	50.9	Low	142 Å²	142	86.9 Å²	86.9	74%	0.743	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-20.1	165.8	-71.2	168.6	0	0	0	112.9	L250	L250-L252 PolarHBondContact O-N 3.11Å
253	L	47.7	Very low	51.7	Low	51 Å²	51	86.5 Å²	86.5	27%	0.267	43%	0.431	S	S	.	.			trans	-154.4	119.7	-174.4	-59.8	172.8	0	0	0	112.9	L250 E257 R258 M261	L250-L253 CarbonylContact O-C 3.52Å; L250-L253 PolarHBondContact O-N 3.18Å; L253-E257 HydrophobicContact CB-CB 3.61Å; L253-E257 HydrophobicContact CD2-CB 3.64Å; L253-E257 HydrophobicContact CD2-CG 4.39Å; L253-E257 HydrophobicContact CG-CB 4.15Å; L253-R258 HydrophobicContact CB-CG 3.85Å; L253-M261 HydrophobicContact CD1-CB 4.05Å; L253-M261 HydrophobicContact CD1-CE 4.28Å; L253-M261 HydrophobicContact CD1-CG 4.29Å; L253-M261 HydrophobicContact CD1-SD 3.44Å; L253-M261 WeakPolarHBondContact CD1-SD 3.26Å
254	S	54.7	Low	52.6	Low	58 Å²	58	86.5 Å²	86.5	41%	0.406	44%	0.437	S	S	.	.			trans	-51.1	161.6	163.8	66.4	0	0	0	0	112.4	K256 E257 R258	S254-K256 PolarHBondContact O-N 3.48Å; S254-K256 VanDerWaalsContact O-N 3.08Å; S254-E257 WeakPolarHBondContact CA-OE2 3.43Å; S254-E257 WeakPolarHBondContact CB-OE2 3.42Å; S254-E257 PolarHBondContact N-OE2 3.44Å; S254-E257 CarbonylContact O-C 3.52Å; S254-E257 WeakPolarHBondContact O-CA 3.49Å; S254-E257 PolarHBondContact O-N 2.88Å; S254-E257 VanDerWaalsContact OG-CG 3.3Å; S254-E257 WeakPolarHBondContact OG-CG 3.44Å; S254-E257 PolarHBondContact OG-N 3.12Å; S254-E257 PolarHBondContact OG-OE2 3.03Å; S254-R258 PolarHBondContact O-N 3.16Å
255	S	49.9	Very low	52.9	Low	73 Å²	73	85.5 Å²	85.5	51%	0.51	43%	0.432	S	S	.	.	H	α-helix	trans	-53.2	-33.4	175.6	-57.8	0	0	0	0	113	R258 I259	S255-R258 PolarHBondContact OG-NH2 2.86Å; S255-I259 WeakPolarHBondContact O-CD1 3.31Å; S255-I259 VanDerWaalsContact O-CG1 3.26Å; S255-I259 WeakPolarHBondContact O-CG1 3.42Å; S255-I259 PolarHBondContact O-N 3.26Å; S255-I259 VanDerWaalsContact O-N 3.08Å
256	K	57.8	Low	52.9	Low	148 Å²	148	81.5 Å²	81.5	64%	0.643	42%	0.415	S	S	*	.	H	α-helix	trans	-68.2	-45.7	173.7	-174.4	177.9	179.6	-179.2	0	111.6	S254 R258 I259 Q260	S254-K256 PolarHBondContact O-N 3.48Å; S254-K256 VanDerWaalsContact O-N 3.08Å; K256-R258 VanDerWaalsContact C-N 3.32Å; K256-R258 PolarHBondContact O-N 3.33Å; K256-I259 PolarHBondContact O-N 3.19Å; K256-Q260 WeakPolarHBondContact O-CB 3.49Å; K256-Q260 VanDerWaalsContact O-CG 3.27Å; K256-Q260 WeakPolarHBondContact O-CG 3.47Å; K256-Q260 PolarHBondContact O-N 3.35Å
257	E	57.3	Low	53.9	Low	85 Å²	85	85.5 Å²	85.5	40%	0.397	44%	0.435	S	S	.	.	H	α-helix	trans	-67	-32.6	178	-72.9	163	135.6	0	0	112.2	L253 S254 Q260 M261	L253-E257 HydrophobicContact CB-CB 3.61Å; L253-E257 HydrophobicContact CD2-CB 3.64Å; L253-E257 HydrophobicContact CD2-CG 4.39Å; L253-E257 HydrophobicContact CG-CB 4.15Å; S254-E257 WeakPolarHBondContact CA-OE2 3.43Å; S254-E257 WeakPolarHBondContact CB-OE2 3.42Å; S254-E257 PolarHBondContact N-OE2 3.44Å; S254-E257 CarbonylContact O-C 3.52Å; S254-E257 WeakPolarHBondContact O-CA 3.49Å; S254-E257 PolarHBondContact O-N 2.88Å; S254-E257 VanDerWaalsContact OG-CG 3.3Å; S254-E257 WeakPolarHBondContact OG-CG 3.44Å; S254-E257 PolarHBondContact OG-N 3.12Å; S254-E257 PolarHBondContact OG-OE2 3.03Å; E257-Q260 PolarHBondContact O-N 2.87Å; E257-M261 WeakPolarHBondContact O-CB 3.44Å; E257-M261 PolarHBondContact O-N 3.19Å
258	R	56.8	Low	54.5	Low	67 Å²	67	89.6 Å²	89.6	25%	0.253	45%	0.453	S	S	.	.	H	α-helix	trans	-65	-47.6	171.2	-74.1	-173	-74.2	172	4	112	L250 L253 S254 S255 K256 Q260 M261 Y262	L250-R258 VanDerWaalsContact CD2-CD 3.44Å; L253-R258 HydrophobicContact CB-CG 3.85Å; S254-R258 PolarHBondContact O-N 3.16Å; S255-R258 PolarHBondContact OG-NH2 2.86Å; K256-R258 VanDerWaalsContact C-N 3.32Å; K256-R258 PolarHBondContact O-N 3.33Å; R258-Q260 VanDerWaalsContact C-N 3.32Å; R258-Q260 PolarHBondContact O-N 3.47Å; R258-M261 PolarHBondContact O-N 2.92Å; R258-Y262 WeakPolarHBondContact O-CD2 3.41Å; R258-Y262 PolarHBondContact O-N 3.41Å
259	I	60.2	Low	54.5	Low	65 Å²	65	89.4 Å²	89.4	33%	0.333	45%	0.449	S	S	.	.	H	α-helix	trans	-59.8	-45.9	175.8	-70.5	166.4	0	0	0	109.7	S255 K256 M261 Y262 E263	S255-I259 WeakPolarHBondContact O-CD1 3.31Å; S255-I259 VanDerWaalsContact O-CG1 3.26Å; S255-I259 WeakPolarHBondContact O-CG1 3.42Å; S255-I259 PolarHBondContact O-N 3.26Å; S255-I259 VanDerWaalsContact O-N 3.08Å; K256-I259 PolarHBondContact O-N 3.19Å; I259-M261 PolarHBondContact O-N 3.26Å; I259-Y262 PolarHBondContact O-N 3.49Å; I259-E263 HydrophobicContact CG2-CG 4.23Å; I259-E263 WeakPolarHBondContact CG2-OE1 3.42Å; I259-E263 WeakPolarHBondContact O-CB 3.43Å; I259-E263 VanDerWaalsContact O-CG 3.26Å; I259-E263 WeakPolarHBondContact O-CG 3.41Å; I259-E263 PolarHBondContact O-N 3.11Å
260	Q	65.7	Low	54.6	Low	95 Å²	95	88.3 Å²	88.3	44%	0.444	44%	0.439	S	S	.	.	H	α-helix	trans	-62.8	-38.2	177.3	-74	176.2	-32.1	0	0	113.2	K256 E257 R258 E263 S264	K256-Q260 WeakPolarHBondContact O-CB 3.49Å; K256-Q260 VanDerWaalsContact O-CG 3.27Å; K256-Q260 WeakPolarHBondContact O-CG 3.47Å; K256-Q260 PolarHBondContact O-N 3.35Å; E257-Q260 PolarHBondContact O-N 2.87Å; R258-Q260 VanDerWaalsContact C-N 3.32Å; R258-Q260 PolarHBondContact O-N 3.47Å; Q260-E263 PolarHBondContact O-N 3.01Å; Q260-S264 WeakPolarHBondContact O-CB 3.33Å; Q260-S264 PolarHBondContact O-N 3.08Å
261	M	62.2	Low	55.2	Low	79 Å²	79	95.7 Å²	95.7	39%	0.389	48%	0.479	S	S	.	.	H	α-helix	trans	-64.5	-47.1	175.3	-172.8	-173.2	76.8	0	0	110.9	L253 E257 R258 I259 S264 I265	L253-M261 HydrophobicContact CD1-CB 4.05Å; L253-M261 HydrophobicContact CD1-CE 4.28Å; L253-M261 HydrophobicContact CD1-CG 4.29Å; L253-M261 HydrophobicContact CD1-SD 3.44Å; L253-M261 WeakPolarHBondContact CD1-SD 3.26Å; E257-M261 WeakPolarHBondContact O-CB 3.44Å; E257-M261 PolarHBondContact O-N 3.19Å; R258-M261 PolarHBondContact O-N 2.92Å; I259-M261 PolarHBondContact O-N 3.26Å; M261-S264 PolarHBondContact O-N 2.85Å; M261-I265 HydrophobicContact CE-CD1 4.49Å; M261-I265 HydrophobicContact CG-CD1 4.14Å; M261-I265 WeakPolarHBondContact O-CG1 3.47Å; M261-I265 PolarHBondContact O-N 2.84Å
262	Y	55.2	Low	55.8	Low	83 Å²	83	92.7 Å²	92.7	33%	0.325	47%	0.466	S	S	.	.	H	α-helix	trans	-65.4	-37.4	175.8	-74.3	-61.5	0	0	0	112.3	R258 I259 I265 L266	R258-Y262 WeakPolarHBondContact O-CD2 3.41Å; R258-Y262 PolarHBondContact O-N 3.41Å; I259-Y262 PolarHBondContact O-N 3.49Å; Y262-I265 PolarHBondContact O-N 3.22Å; Y262-L266 VanDerWaalsContact O-CB 3.31Å; Y262-L266 WeakPolarHBondContact O-CB 3.35Å; Y262-L266 WeakPolarHBondContact O-CD1 3.43Å; Y262-L266 WeakPolarHBondContact O-CG 3.48Å; Y262-L266 PolarHBondContact O-N 2.87Å
263	E	67	Low	56.4	Low	86 Å²	86	90.1 Å²	90.1	40%	0.402	45%	0.451	S	S	.	.	H	α-helix	trans	-61	-42.3	172.6	-77.7	173	169.7	0	0	111.7	I259 Q260 Q267	I259-E263 HydrophobicContact CG2-CG 4.23Å; I259-E263 WeakPolarHBondContact CG2-OE1 3.42Å; I259-E263 WeakPolarHBondContact O-CB 3.43Å; I259-E263 VanDerWaalsContact O-CG 3.26Å; I259-E263 WeakPolarHBondContact O-CG 3.41Å; I259-E263 PolarHBondContact O-N 3.11Å; Q260-E263 PolarHBondContact O-N 3.01Å; E263-Q267 WeakPolarHBondContact O-CB 3.42Å; E263-Q267 WeakPolarHBondContact O-CG 3.49Å; E263-Q267 PolarHBondContact O-N 3.33Å
264	S	66.8	Low	56.9	Low	59 Å²	59	92.2 Å²	92.2	41%	0.413	46%	0.461	S	S	.	.	H	α-helix	trans	-65	-45.1	177.1	-168.5	0	0	0	0	111.9	Q260 M261 Q267 E268	Q260-S264 WeakPolarHBondContact O-CB 3.33Å; Q260-S264 PolarHBondContact O-N 3.08Å; M261-S264 PolarHBondContact O-N 2.85Å; S264-Q267 PolarHBondContact O-N 3.49Å; S264-E268 WeakPolarHBondContact O-CG 3.28Å; S264-E268 PolarHBondContact O-N 3.46Å
265	I	54.3	Low	57	Low	67 Å²	67	94.2 Å²	94.2	34%	0.344	47%	0.465	S	S	.	.	H	α-helix	trans	-62.7	-46.6	177.4	-66.8	164.9	0	0	0	110	M261 Y262 Q267 E268 E269	M261-I265 HydrophobicContact CE-CD1 4.49Å; M261-I265 HydrophobicContact CG-CD1 4.14Å; M261-I265 WeakPolarHBondContact O-CG1 3.47Å; M261-I265 PolarHBondContact O-N 2.84Å; Y262-I265 PolarHBondContact O-N 3.22Å; I265-Q267 VanDerWaalsContact C-N 3.35Å; I265-Q267 PolarHBondContact O-N 3.37Å; I265-E268 PolarHBondContact O-N 3.21Å; I265-E269 WeakPolarHBondContact O-CG 3.31Å; I265-E269 PolarHBondContact O-N 3.23Å
266	L	50.1	Low	57.5	Low	36 Å²	36	95.6 Å²	95.6	19%	0.188	46%	0.462	C	S	.	.	H	α-helix	trans	-63	-38.6	177.4	-77.8	163.8	0	0	0	112.1	N56 Y262 E269 L270	N56-L266 HydrophobicContact CB-CD2 4.48Å; Y262-L266 VanDerWaalsContact O-CB 3.31Å; Y262-L266 WeakPolarHBondContact O-CB 3.35Å; Y262-L266 WeakPolarHBondContact O-CD1 3.43Å; Y262-L266 WeakPolarHBondContact O-CG 3.48Å; Y262-L266 PolarHBondContact O-N 2.87Å; L266-E269 PolarHBondContact O-N 3.45Å; L266-L270 HydrophobicContact CB-CD1 4.42Å; L266-L270 WeakPolarHBondContact O-CB 3.37Å; L266-L270 VanDerWaalsContact O-CD1 3.31Å; L266-L270 WeakPolarHBondContact O-CD1 3.44Å; L266-L270 WeakPolarHBondContact O-CG 3.38Å; L266-L270 PolarHBondContact O-N 3.21Å
267	Q	67.2	Low	57.5	Low	131 Å²	131	92.1 Å²	92.1	61%	0.612	45%	0.45	S	S	*	.	H	α-helix	trans	-70.6	-32.7	176.7	-78.4	-170.2	4.1	0	0	113.6	E263 S264 I265 N271	E263-Q267 WeakPolarHBondContact O-CB 3.42Å; E263-Q267 WeakPolarHBondContact O-CG 3.49Å; E263-Q267 PolarHBondContact O-N 3.33Å; S264-Q267 PolarHBondContact O-N 3.49Å; I265-Q267 VanDerWaalsContact C-N 3.35Å; I265-Q267 PolarHBondContact O-N 3.37Å; Q267-N271 PolarHBondContact O-N 2.78Å; Q267-N271 PolarHBondContact O-ND2 3.03Å
268	E	57.4	Low	57.5	Low	148 Å²	148	92.6 Å²	92.6	69%	0.692	45%	0.454	S	S	*	.	H	α-helix	trans	-70.9	-33.2	173.3	-77.6	-177.7	176.7	0	0	112.1	S264 I265	S264-E268 WeakPolarHBondContact O-CG 3.28Å; S264-E268 PolarHBondContact O-N 3.46Å; I265-E268 PolarHBondContact O-N 3.21Å
269	E	43.3	Very low	57.5	Low	100 Å²	100	94.5 Å²	94.5	47%	0.467	47%	0.469	S	S	.	.	H	α-helix	trans	-84.9	-21.2	179.2	-69.7	-173.8	178.4	0	0	114.1	N56 I265 L266	N56-E269 PolarHBondContact ND2-OE2 2.81Å; N56-E269 PolarHBondContact OD1-OE2 2.9Å; I265-E269 WeakPolarHBondContact O-CG 3.31Å; I265-E269 PolarHBondContact O-N 3.23Å; L266-E269 PolarHBondContact O-N 3.45Å
270	L	47.4	Very low	57.3	Low	88 Å²	88	97 Å²	97	46%	0.461	48%	0.48	S	S	.	.	H	α-helix	trans	-91.9	-8.3	179.2	-71.1	168	0	0	0	114.2	M91 L266	M91-L270 HydrophobicContact CE-CD2 3.74Å; M91-L270 HydrophobicContact SD-CD2 3.41Å; M91-L270 WeakPolarHBondContact SD-CD2 3.42Å; L266-L270 HydrophobicContact CB-CD1 4.42Å; L266-L270 WeakPolarHBondContact O-CB 3.37Å; L266-L270 VanDerWaalsContact O-CD1 3.31Å; L266-L270 WeakPolarHBondContact O-CD1 3.44Å; L266-L270 WeakPolarHBondContact O-CG 3.38Å; L266-L270 PolarHBondContact O-N 3.21Å
271	N	51.3	Low	56.5	Low	192 Å²	192	97.2 Å²	97.2	100%	1.027	48%	0.484	S	S	*	.			trans	-105.7	0	174.6	-74.8	-47.6	0	0	0	111.8	Q267	Q267-N271 PolarHBondContact O-N 2.78Å; Q267-N271 PolarHBondContact O-ND2 3.03Å

Retrieved 271 of 271 residues in 269.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).