A0A5K4F7C3_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7C3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 237 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	27.2	Very low	32.7	Very low	224 Å²	224	116.5 Å²	116.5	100%	1.103	59%	0.594	S	S	*	*				0	127.2	0	-145.2	174.6	175.3	0	0	107.4
2	H	30.9	Very low	32.5	Very low	144 Å²	144	116.9 Å²	116.9	67%	0.667	59%	0.589	S	S	*	*			trans	81.9	2.7	167.8	-75.3	-68	0	0	0	124.6
3	I	34.4	Very low	32.4	Very low	148 Å²	148	113.2 Å²	113.2	76%	0.759	57%	0.572	S	S	*	*	S	Bend	trans	-78.4	-26.4	176.1	-59.7	173.3	0	0	0	113	S5	I3-S5 PolarHBondContact O-N 3.16Å
4	F	30.6	Very low	32.7	Very low	151 Å²	151	111.7 Å²	111.7	66%	0.662	57%	0.566	S	S	*	*	H	α-helix	trans	-78.3	-14.7	-173.1	-69.7	-76.7	0	0	0	115.6	S7 I8	F4-S7 PolarHBondContact O-OG 3.16Å; F4-I8 WeakPolarHBondContact O-CD1 3.39Å; F4-I8 WeakPolarHBondContact O-CG1 3.39Å
5	S	35.5	Very low	32.9	Very low	52 Å²	52	109.7 Å²	109.7	36%	0.364	55%	0.553	S	S	.	*	H	α-helix	trans	-77.8	-40.1	-178.1	57.1	0	0	0	0	112.8	I3 L9	I3-S5 PolarHBondContact O-N 3.16Å; S5-L9 PolarHBondContact O-N 3.39Å
6	D	31.5	Very low	32.7	Very low	110 Å²	110	113.9 Å²	113.9	59%	0.588	56%	0.56	S	S	*	*	H	α-helix	trans	-78.5	-31.6	-169	-66.1	1.5	0	0	0	111.4	L9 Q10	D6-L9 PolarHBondContact O-N 2.99Å; D6-Q10 WeakPolarHBondContact O-CB 3.23Å; D6-Q10 PolarHBondContact O-N 3.2Å
7	S	36.3	Very low	32.6	Very low	59 Å²	59	113.1 Å²	113.1	41%	0.413	56%	0.558	S	S	.	*	H	α-helix	trans	-68.2	-41.1	175.8	58.9	0	0	0	0	112.4	F4 Q10 I11	F4-S7 PolarHBondContact O-OG 3.16Å; S7-Q10 PolarHBondContact O-N 3.24Å; S7-I11 VanDerWaalsContact O-CG1 3.31Å; S7-I11 WeakPolarHBondContact O-CG1 3.47Å; S7-I11 PolarHBondContact O-N 3.41Å
8	I	33	Very low	32.8	Very low	92 Å²	92	115.4 Å²	115.4	47%	0.472	56%	0.564	S	S	.	*	H	α-helix	trans	-62.3	-45.8	174.5	-67	176.5	0	0	0	109.7	F4 Q10 I11 F12	F4-I8 WeakPolarHBondContact O-CD1 3.39Å; F4-I8 WeakPolarHBondContact O-CG1 3.39Å; I8-Q10 VanDerWaalsContact C-N 3.31Å; I8-Q10 PolarHBondContact O-N 3.14Å; I8-I11 PolarHBondContact O-N 2.99Å; I8-F12 HydrophobicContact CG2-CD2 3.7Å; I8-F12 HydrophobicContact CG2-CE2 3.48Å; I8-F12 VanDerWaalsContact CG2-CE2 3.48Å; I8-F12 WeakPolarHBondContact O-CD2 3.02Å; I8-F12 PolarHBondContact O-N 3.34Å
9	L	30.2	Very low	32.8	Very low	101 Å²	101	112.5 Å²	112.5	53%	0.529	55%	0.554	S	S	.	*	H	α-helix	trans	-61	-38.7	176.8	-120.8	145.7	0	0	0	112.3	S5 D6 F12 L13	S5-L9 PolarHBondContact O-N 3.39Å; D6-L9 PolarHBondContact O-N 2.99Å; L9-F12 WeakPolarHBondContact O-CB 3.5Å; L9-F12 PolarHBondContact O-N 3.45Å; L9-L13 HydrophobicContact CD2-CD1 4.45Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 3.13Å
10	Q	34.3	Very low	32.8	Very low	107 Å²	107	111.9 Å²	111.9	50%	0.5	55%	0.553	S	S	.	*	H	α-helix	trans	-71.1	-37.9	178.6	-153.5	65.7	10	0	0	112.5	D6 S7 I8 F12 L13 D14	D6-Q10 WeakPolarHBondContact O-CB 3.23Å; D6-Q10 PolarHBondContact O-N 3.2Å; S7-Q10 PolarHBondContact O-N 3.24Å; I8-Q10 VanDerWaalsContact C-N 3.31Å; I8-Q10 PolarHBondContact O-N 3.14Å; Q10-F12 VanDerWaalsContact C-N 3.3Å; Q10-F12 PolarHBondContact O-N 3.49Å; Q10-L13 PolarHBondContact O-N 3.09Å; Q10-D14 PolarHBondContact O-N 2.9Å
11	I	36.3	Very low	33	Very low	94 Å²	94	112.1 Å²	112.1	48%	0.482	56%	0.556	S	S	.	*	H	α-helix	trans	-59.9	-43.3	170.3	-68.7	165.4	0	0	0	109.9	S7 I8 L13 H15	S7-I11 VanDerWaalsContact O-CG1 3.31Å; S7-I11 WeakPolarHBondContact O-CG1 3.47Å; S7-I11 PolarHBondContact O-N 3.41Å; I8-I11 PolarHBondContact O-N 2.99Å; I11-L13 PolarHBondContact O-N 2.87Å; I11-H15 WeakPolarHBondContact O-CB 3.46Å; I11-H15 PolarHBondContact O-N 3.44Å
12	F	30	Very low	33.2	Very low	121 Å²	121	105.8 Å²	105.8	53%	0.531	53%	0.533	S	S	.	.	H	α-helix	trans	-62.3	-40.6	174.4	-83.7	-68.2	0	0	0	112.9	I8 L9 Q10 H15 R16	I8-F12 HydrophobicContact CG2-CD2 3.7Å; I8-F12 HydrophobicContact CG2-CE2 3.48Å; I8-F12 VanDerWaalsContact CG2-CE2 3.48Å; I8-F12 WeakPolarHBondContact O-CD2 3.02Å; I8-F12 PolarHBondContact O-N 3.34Å; L9-F12 WeakPolarHBondContact O-CB 3.5Å; L9-F12 PolarHBondContact O-N 3.45Å; Q10-F12 VanDerWaalsContact C-N 3.3Å; Q10-F12 PolarHBondContact O-N 3.49Å; F12-H15 PolarHBondContact O-N 2.96Å; F12-R16 PolarHBondContact O-N 3.19Å
13	L	30.5	Very low	33.5	Very low	69 Å²	69	101.7 Å²	101.7	36%	0.361	52%	0.518	S	S	.	.	H	α-helix	trans	-68.8	-43.3	178.5	-73.7	170.8	0	0	0	112.4	L9 Q10 I11 H15 R16 I17	L9-L13 HydrophobicContact CD2-CD1 4.45Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 3.13Å; Q10-L13 PolarHBondContact O-N 3.09Å; I11-L13 PolarHBondContact O-N 2.87Å; L13-H15 VanDerWaalsContact C-N 3.3Å; L13-H15 PolarHBondContact O-N 3.4Å; L13-R16 WeakPolarHBondContact O-CA 3.37Å; L13-R16 WeakPolarHBondContact O-CB 3.25Å; L13-R16 PolarHBondContact O-N 2.97Å; L13-I17 PolarHBondContact O-N 2.79Å; L13-I17 VanDerWaalsContact O-N 3.09Å
14	D	37.6	Very low	34.1	Very low	92 Å²	92	102.2 Å²	102.2	49%	0.492	52%	0.515	S	S	.	.	H	α-helix	trans	-64.8	-35.7	175.7	-84.8	-7.7	0	0	0	111.6	Q10 R16 I17 K18	Q10-D14 PolarHBondContact O-N 2.9Å; D14-R16 VanDerWaalsContact C-N 3.3Å; D14-R16 PolarHBondContact O-N 3.37Å; D14-I17 PolarHBondContact O-N 3.32Å; D14-K18 PolarHBondContact O-N 3.32Å; D14-K18 VanDerWaalsContact O-N 3.07Å
15	H	35.5	Very low	34.9	Very low	82 Å²	82	101.3 Å²	101.3	38%	0.38	51%	0.511	S	S	.	.	H	α-helix	trans	-65.4	-33.9	171.9	-139.6	-73.1	0	0	0	111.9	I11 F12 L13 I17 K18 T19	I11-H15 WeakPolarHBondContact O-CB 3.46Å; I11-H15 PolarHBondContact O-N 3.44Å; F12-H15 PolarHBondContact O-N 2.96Å; L13-H15 VanDerWaalsContact C-N 3.3Å; L13-H15 PolarHBondContact O-N 3.4Å; H15-I17 VanDerWaalsContact C-N 3.34Å; H15-K18 PolarHBondContact O-N 2.87Å; H15-T19 WeakPolarHBondContact O-CB 3.48Å; H15-T19 WeakPolarHBondContact O-CG2 3.35Å; H15-T19 PolarHBondContact O-N 2.8Å; H15-T19 PolarHBondContact O-OG1 2.84Å
16	R	28.7	Very low	35	Very low	176 Å²	176	100.6 Å²	100.6	66%	0.664	50%	0.5	S	S	*	.	H	α-helix	trans	-65.7	-34.3	173.8	-137.7	179.8	-166.9	178.7	5.1	112.5	F12 L13 D14 T19 N20	F12-R16 PolarHBondContact O-N 3.19Å; L13-R16 WeakPolarHBondContact O-CA 3.37Å; L13-R16 WeakPolarHBondContact O-CB 3.25Å; L13-R16 PolarHBondContact O-N 2.97Å; D14-R16 VanDerWaalsContact C-N 3.3Å; D14-R16 PolarHBondContact O-N 3.37Å; R16-T19 VanDerWaalsContact C-OG1 3.24Å; R16-T19 WeakPolarHBondContact CA-OG1 3.49Å; R16-T19 PolarHBondContact O-OG1 3.42Å; R16-N20 PolarHBondContact O-N 3.07Å
17	I	32.3	Very low	35.8	Very low	101 Å²	101	102 Å²	102	52%	0.518	50%	0.501	S	S	.	.	H	α-helix	trans	-74.4	-42.2	177.3	-62.9	169.8	0	0	0	110.8	L13 D14 H15 N20 L21	L13-I17 PolarHBondContact O-N 2.79Å; L13-I17 VanDerWaalsContact O-N 3.09Å; D14-I17 PolarHBondContact O-N 3.32Å; H15-I17 VanDerWaalsContact C-N 3.34Å; I17-N20 WeakPolarHBondContact O-CB 3.47Å; I17-N20 PolarHBondContact O-N 3.41Å; I17-L21 PolarHBondContact O-N 3.38Å
18	K	36.4	Very low	36.9	Very low	154 Å²	154	105.7 Å²	105.7	67%	0.67	51%	0.51	S	S	*	.	H	α-helix	trans	-65.9	-40	175.4	-77	-178.5	-179	172.3	0	112.6	D14 H15 N20 L21 C22	D14-K18 PolarHBondContact O-N 3.32Å; D14-K18 VanDerWaalsContact O-N 3.07Å; H15-K18 PolarHBondContact O-N 2.87Å; K18-N20 VanDerWaalsContact C-N 3.25Å; K18-N20 PolarHBondContact O-N 3.48Å; K18-L21 PolarHBondContact O-N 3.03Å; K18-L21 VanDerWaalsContact O-N 3.15Å; K18-C22 PolarHBondContact O-N 3.46Å; K18-C22 VanDerWaalsContact O-N 3.09Å
19	T	31.8	Very low	37.6	Very low	60 Å²	60	103.7 Å²	103.7	37%	0.368	50%	0.503	S	S	.	.	H	α-helix	trans	-61.3	-33	172.9	42.5	0	0	0	0	111.9	H15 R16 L21 T23	H15-T19 WeakPolarHBondContact O-CB 3.48Å; H15-T19 WeakPolarHBondContact O-CG2 3.35Å; H15-T19 PolarHBondContact O-N 2.8Å; H15-T19 PolarHBondContact O-OG1 2.84Å; R16-T19 VanDerWaalsContact C-OG1 3.24Å; R16-T19 WeakPolarHBondContact CA-OG1 3.49Å; R16-T19 PolarHBondContact O-OG1 3.42Å; T19-L21 PolarHBondContact O-N 3.01Å; T19-T23 VanDerWaalsContact O-CB 3.3Å; T19-T23 WeakPolarHBondContact O-CB 3.35Å; T19-T23 WeakPolarHBondContact O-CG2 3.44Å; T19-T23 PolarHBondContact O-N 3.4Å; T19-T23 PolarHBondContact O-OG1 3.47Å
20	N	33.7	Very low	38.2	Very low	101 Å²	101	99.6 Å²	99.6	54%	0.54	48%	0.481	S	S	.	.	H	α-helix	trans	-65.5	-31.7	173.9	-85.5	-22.5	0	0	0	114.4	R16 I17 K18 T23 K24	R16-N20 PolarHBondContact O-N 3.07Å; I17-N20 WeakPolarHBondContact O-CB 3.47Å; I17-N20 PolarHBondContact O-N 3.41Å; K18-N20 VanDerWaalsContact C-N 3.25Å; K18-N20 PolarHBondContact O-N 3.48Å; N20-T23 VanDerWaalsContact C-OG1 3.27Å; N20-T23 WeakPolarHBondContact CA-OG1 3.4Å; N20-T23 PolarHBondContact O-OG1 2.95Å; N20-K24 WeakPolarHBondContact O-CG 3.29Å; N20-K24 PolarHBondContact O-N 3.41Å
21	L	35.3	Very low	39.3	Very low	116 Å²	116	97.1 Å²	97.1	61%	0.607	48%	0.476	S	S	*	.	H	α-helix	trans	-78.5	-44	175.7	-96.6	134.4	0	0	0	112.1	I17 K18 T19 T23 K24 K25	I17-L21 PolarHBondContact O-N 3.38Å; K18-L21 PolarHBondContact O-N 3.03Å; K18-L21 VanDerWaalsContact O-N 3.15Å; T19-L21 PolarHBondContact O-N 3.01Å; L21-T23 VanDerWaalsContact C-N 3.33Å; L21-T23 PolarHBondContact O-N 3.19Å; L21-K24 PolarHBondContact O-N 2.9Å; L21-K25 PolarHBondContact O-N 2.68Å
22	C	32.5	Very low	40.7	Very low	92 Å²	92	95.7 Å²	95.7	62%	0.622	47%	0.47	S	S	*	.	H	α-helix	trans	-59.7	-43.9	172.3	-93.7	0	0	0	0	111.1	K18 K24 K25 Y26	K18-C22 PolarHBondContact O-N 3.46Å; K18-C22 VanDerWaalsContact O-N 3.09Å; C22-K24 PolarHBondContact O-N 3.3Å; C22-K25 PolarHBondContact O-N 3.3Å; C22-Y26 WeakPolarHBondContact O-CB 3.33Å; C22-Y26 PolarHBondContact O-N 2.92Å
23	T	37.8	Very low	41.6	Very low	58 Å²	58	90.3 Å²	90.3	36%	0.356	45%	0.446	S	S	.	.	H	α-helix	trans	-64.2	-36.3	177.6	47.8	0	0	0	0	113	T19 N20 L21 K27	T19-T23 VanDerWaalsContact O-CB 3.3Å; T19-T23 WeakPolarHBondContact O-CB 3.35Å; T19-T23 WeakPolarHBondContact O-CG2 3.44Å; T19-T23 PolarHBondContact O-N 3.4Å; T19-T23 PolarHBondContact O-OG1 3.47Å; N20-T23 VanDerWaalsContact C-OG1 3.27Å; N20-T23 WeakPolarHBondContact CA-OG1 3.4Å; N20-T23 PolarHBondContact O-OG1 2.95Å; L21-T23 VanDerWaalsContact C-N 3.33Å; L21-T23 PolarHBondContact O-N 3.19Å; T23-K27 WeakPolarHBondContact O-CB 3.31Å; T23-K27 WeakPolarHBondContact O-CG 3.44Å; T23-K27 PolarHBondContact O-N 3.43Å
24	K	46.8	Very low	42.5	Very low	159 Å²	159	91.6 Å²	91.6	69%	0.691	45%	0.45	S	S	*	.	H	α-helix	trans	-65.1	-47.3	174.7	-80.8	-176.9	-177.8	-179.5	0	112.5	N20 L21 C22 Y26 K27 K28	N20-K24 WeakPolarHBondContact O-CG 3.29Å; N20-K24 PolarHBondContact O-N 3.41Å; L21-K24 PolarHBondContact O-N 2.9Å; C22-K24 PolarHBondContact O-N 3.3Å; K24-Y26 VanDerWaalsContact C-N 3.35Å; K24-K27 PolarHBondContact O-N 2.97Å; K24-K28 PolarHBondContact O-N 3.11Å; K24-K28 VanDerWaalsContact O-N 3.08Å
25	K	46	Very low	43.9	Very low	132 Å²	132	91.7 Å²	91.7	57%	0.574	45%	0.447	S	S	*	.	H	α-helix	trans	-64.3	-41.9	176.7	-78.7	-168.3	172.9	-165.7	0	111.3	L21 C22 K28 C29 E90	L21-K25 PolarHBondContact O-N 2.68Å; C22-K25 PolarHBondContact O-N 3.3Å; K25-K28 PolarHBondContact O-N 2.89Å; K25-C29 PolarHBondContact O-N 3.21Å; K25-E90 IonicContact NZ-OE2 3.88Å; K25-E90 PolarHBondContact NZ-OE2 3.12Å
26	Y	38.6	Very low	45.2	Very low	36 Å²	36	93.5 Å²	93.5	14%	0.141	45%	0.451	C	S	.	.	H	α-helix	trans	-62.7	-46.4	176	-176.1	-89.3	0	0	0	111.6	C22 K24 K28 C29 L30 Y215 I228	C22-Y26 WeakPolarHBondContact O-CB 3.33Å; C22-Y26 PolarHBondContact O-N 2.92Å; K24-Y26 VanDerWaalsContact C-N 3.35Å; Y26-K28 PolarHBondContact O-N 3.09Å; Y26-C29 CarbonylContact O-C 3.52Å; Y26-C29 WeakPolarHBondContact O-CB 3.4Å; Y26-C29 PolarHBondContact O-N 3.39Å; Y26-C29 VanDerWaalsContact O-N 3.11Å; Y26-L30 VanDerWaalsContact O-CB 3.28Å; Y26-L30 WeakPolarHBondContact O-CB 3.13Å; Y26-L30 PolarHBondContact O-N 2.96Å; Y26-Y215 AromaticContact CE1-CD1 3.45Å; Y26-Y215 HydrophobicContact CE1-CD1 3.45Å; Y26-Y215 VanDerWaalsContact CE1-CD1 3.45Å; Y26-Y215 HydrophobicContact CE1-CD2 4.42Å; Y26-Y215 HydrophobicContact CE1-CE1 4.13Å; Y26-Y215 AromaticContact CE1-CG 3.62Å; Y26-Y215 HydrophobicContact CE1-CG 3.62Å; Y26-Y215 AromaticContact CZ-CD1 3.78Å; Y26-Y215 WeakPolarHBondContact OH-CD1 3.4Å; Y26-I228 HydrophobicContact CE2-CG2 3.71Å; Y26-I228 WeakPolarHBondContact OH-CG2 3.46Å
27	K	47.6	Very low	46.2	Very low	140 Å²	140	87.4 Å²	87.4	61%	0.609	43%	0.43	S	S	*	.	H	α-helix	trans	-58.2	-35.2	174.3	-79.5	177.3	-179.2	-173.3	0	112.7	T23 K24 L30 S31	T23-K27 WeakPolarHBondContact O-CB 3.31Å; T23-K27 WeakPolarHBondContact O-CG 3.44Å; T23-K27 PolarHBondContact O-N 3.43Å; K24-K27 PolarHBondContact O-N 2.97Å; K27-L30 WeakPolarHBondContact O-CB 3.4Å; K27-S31 PolarHBondContact O-N 3.41Å
28	K	61	Low	47.4	Very low	137 Å²	137	88.6 Å²	88.6	60%	0.596	43%	0.434	S	S	*	.	H	α-helix	trans	-70.6	-46.1	173.2	-172.7	-179.9	177.8	-177.1	0	111.9	K24 K25 Y26 L30 S31 D32	K24-K28 PolarHBondContact O-N 3.11Å; K24-K28 VanDerWaalsContact O-N 3.08Å; K25-K28 PolarHBondContact O-N 2.89Å; Y26-K28 PolarHBondContact O-N 3.09Å; K28-L30 PolarHBondContact O-N 3.06Å; K28-S31 PolarHBondContact O-N 3.45Å; K28-S31 PolarHBondContact O-OG 3.27Å; K28-D32 WeakPolarHBondContact O-CB 3.22Å; K28-D32 VanDerWaalsContact O-CG 3.22Å; K28-D32 PolarHBondContact O-N 3.48Å
29	C	46.1	Very low	48.9	Very low	49 Å²	49	87.6 Å²	87.6	33%	0.331	43%	0.425	S	S	.	.	H	α-helix	trans	-57.8	-39	174.5	-164.8	0	0	0	0	111	K25 Y26 D32 F33	K25-C29 PolarHBondContact O-N 3.21Å; Y26-C29 CarbonylContact O-C 3.52Å; Y26-C29 WeakPolarHBondContact O-CB 3.4Å; Y26-C29 PolarHBondContact O-N 3.39Å; Y26-C29 VanDerWaalsContact O-N 3.11Å; C29-D32 PolarHBondContact O-N 3.25Å; C29-F33 VanDerWaalsContact O-CB 3.23Å; C29-F33 WeakPolarHBondContact O-CB 3.36Å; C29-F33 PolarHBondContact O-N 3.34Å
30	L	43.2	Very low	50.3	Low	15 Å²	15	89 Å²	89	8%	0.079	43%	0.428	C	S	.	.	H	α-helix	trans	-62.5	-49.6	174.1	175.1	67.5	0	0	0	111.9	Y26 K27 K28 D32 F33 Q34 Y215 I228	Y26-L30 VanDerWaalsContact O-CB 3.28Å; Y26-L30 WeakPolarHBondContact O-CB 3.13Å; Y26-L30 PolarHBondContact O-N 2.96Å; K27-L30 WeakPolarHBondContact O-CB 3.4Å; K28-L30 PolarHBondContact O-N 3.06Å; L30-D32 VanDerWaalsContact C-N 3.28Å; L30-D32 PolarHBondContact O-N 3.35Å; L30-F33 PolarHBondContact O-N 3.45Å; L30-Q34 HydrophobicContact CD1-CG 4.04Å; L30-Q34 HydrophobicContact CG-CG 4.42Å; L30-Q34 WeakPolarHBondContact O-CB 3.27Å; L30-Q34 WeakPolarHBondContact O-CG 3.35Å; L30-Q34 PolarHBondContact O-N 2.98Å; L30-Y215 HydrophobicContact CD1-CE1 3.79Å; L30-Y215 HydrophobicContact CD1-CE2 4.2Å; L30-Y215 VanDerWaalsContact CD1-CZ 3.48Å; L30-Y215 VanDerWaalsContact CD1-OH 3.24Å; L30-Y215 WeakPolarHBondContact CD1-OH 3.27Å; L30-Y215 HydrophobicContact CD2-CD2 3.85Å; L30-Y215 HydrophobicContact CD2-CE1 4.15Å; L30-Y215 HydrophobicContact CD2-CE2 3.24Å; L30-Y215 VanDerWaalsContact CD2-CZ 3.46Å; L30-Y215 HydrophobicContact CG-CE2 4.35Å; L30-I228 HydrophobicContact CD1-CD1 3.29Å
31	S	58.3	Low	50.8	Low	56 Å²	56	90.2 Å²	90.2	39%	0.392	43%	0.432	S	S	.	.	H	α-helix	trans	-60.5	-41.5	176.9	63.1	0	0	0	0	111.3	K27 K28 F33 Q35	K27-S31 PolarHBondContact O-N 3.41Å; K28-S31 PolarHBondContact O-N 3.45Å; K28-S31 PolarHBondContact O-OG 3.27Å; S31-F33 VanDerWaalsContact C-N 3.35Å; S31-Q35 WeakPolarHBondContact O-CB 3.36Å; S31-Q35 PolarHBondContact O-N 3.04Å
32	D	64	Low	51.9	Low	64 Å²	64	89.5 Å²	89.5	34%	0.342	43%	0.428	S	S	.	.	H	α-helix	trans	-68.6	-34.8	178.9	-65.9	-13.5	0	0	0	111.7	K28 C29 L30 R36	K28-D32 WeakPolarHBondContact O-CB 3.22Å; K28-D32 VanDerWaalsContact O-CG 3.22Å; K28-D32 PolarHBondContact O-N 3.48Å; C29-D32 PolarHBondContact O-N 3.25Å; L30-D32 VanDerWaalsContact C-N 3.28Å; L30-D32 PolarHBondContact O-N 3.35Å; D32-R36 WeakPolarHBondContact O-CB 3.03Å; D32-R36 VanDerWaalsContact O-CG 3.28Å; D32-R36 WeakPolarHBondContact O-CG 3.36Å; D32-R36 PolarHBondContact O-N 3.01Å; D32-R36 PolarHBondContact O-NE 3.43Å
33	F	49.6	Very low	53.2	Low	7 Å²	7	93.1 Å²	93.1	3%	0.031	43%	0.428	C	S	.	.	H	α-helix	trans	-72.4	-48.7	175.6	177.3	-90.1	0	0	0	111.7	C29 L30 S31 Q35 R36 Q37 E227 I228	C29-F33 VanDerWaalsContact O-CB 3.23Å; C29-F33 WeakPolarHBondContact O-CB 3.36Å; C29-F33 PolarHBondContact O-N 3.34Å; L30-F33 PolarHBondContact O-N 3.45Å; S31-F33 VanDerWaalsContact C-N 3.35Å; F33-Q35 PolarHBondContact O-N 2.89Å; F33-R36 CarbonylContact O-C 3.57Å; F33-R36 WeakPolarHBondContact O-CA 3.45Å; F33-R36 WeakPolarHBondContact O-CB 3.4Å; F33-R36 PolarHBondContact O-N 2.7Å; F33-Q37 HydrophobicContact CD1-CG 3.89Å; F33-Q37 HydrophobicContact CE1-CG 3.4Å; F33-Q37 HydrophobicContact CE2-CG 4.14Å; F33-Q37 HydrophobicContact CG-CG 4.48Å; F33-Q37 HydrophobicContact CZ-CG 3.55Å; F33-Q37 PolarHBondContact O-N 3.46Å; F33-E227 HydrophobicContact CE2-CG 4.28Å; F33-E227 HydrophobicContact CZ-CB 4.19Å; F33-E227 HydrophobicContact CZ-CG 4.04Å; F33-E227 WeakPolarHBondContact CZ-OE2 3.47Å; F33-I228 HydrophobicContact CB-CD1 4.26Å; F33-I228 HydrophobicContact CB-CG1 4.18Å; F33-I228 HydrophobicContact CD1-CD1 3.4Å; F33-I228 HydrophobicContact CD1-CG1 3.47Å; F33-I228 VanDerWaalsContact CD1-CG1 3.47Å; F33-I228 HydrophobicContact CD2-CG1 3.98Å; F33-I228 HydrophobicContact CE1-CD1 3.8Å; F33-I228 HydrophobicContact CE1-CG1 3.67Å; F33-I228 HydrophobicContact CE2-CG1 4.17Å; F33-I228 HydrophobicContact CG-CD1 3.91Å; F33-I228 HydrophobicContact CG-CG1 3.6Å; F33-I228 HydrophobicContact CZ-CG1 4Å
34	Q	48.7	Very low	53.8	Low	96 Å²	96	97.4 Å²	97.4	45%	0.449	44%	0.442	S	S	.	.	H	α-helix	trans	-57.1	-42	175.2	-74.7	178.5	-20.3	0	0	110.4	L30 R36 Q37 Q38	L30-Q34 HydrophobicContact CD1-CG 4.04Å; L30-Q34 HydrophobicContact CG-CG 4.42Å; L30-Q34 WeakPolarHBondContact O-CB 3.27Å; L30-Q34 WeakPolarHBondContact O-CG 3.35Å; L30-Q34 PolarHBondContact O-N 2.98Å; Q34-R36 PolarHBondContact O-N 2.83Å; Q34-Q37 PolarHBondContact O-N 3.27Å; Q34-Q38 VanDerWaalsContact O-CB 3.27Å; Q34-Q38 WeakPolarHBondContact O-CB 3.45Å; Q34-Q38 PolarHBondContact O-N 3.49Å
35	Q	67.1	Low	54	Low	94 Å²	94	94.3 Å²	94.3	44%	0.439	43%	0.432	S	S	.	.	H	α-helix	trans	-65.7	-37.1	175	-158.7	-178.9	41.6	0	0	112.1	S31 F33 R39	S31-Q35 WeakPolarHBondContact O-CB 3.36Å; S31-Q35 PolarHBondContact O-N 3.04Å; F33-Q35 PolarHBondContact O-N 2.89Å; Q35-R39 VanDerWaalsContact CD-NH2 3.29Å; Q35-R39 WeakPolarHBondContact O-CB 3.48Å; Q35-R39 WeakPolarHBondContact O-CG 3.45Å; Q35-R39 PolarHBondContact O-N 2.82Å
36	R	64.4	Low	54.4	Low	121 Å²	121	97.2 Å²	97.2	46%	0.457	44%	0.439	S	S	.	.	H	α-helix	trans	-65.6	-46.5	172.9	-83.2	-178.5	-82.9	168	-6.3	112.1	D32 F33 Q34 R39 Q40	D32-R36 WeakPolarHBondContact O-CB 3.03Å; D32-R36 VanDerWaalsContact O-CG 3.28Å; D32-R36 WeakPolarHBondContact O-CG 3.36Å; D32-R36 PolarHBondContact O-N 3.01Å; D32-R36 PolarHBondContact O-NE 3.43Å; F33-R36 CarbonylContact O-C 3.57Å; F33-R36 WeakPolarHBondContact O-CA 3.45Å; F33-R36 WeakPolarHBondContact O-CB 3.4Å; F33-R36 PolarHBondContact O-N 2.7Å; Q34-R36 PolarHBondContact O-N 2.83Å; R36-R39 PolarHBondContact O-N 3.39Å; R36-Q40 WeakPolarHBondContact O-CB 3.41Å; R36-Q40 WeakPolarHBondContact O-CG 3.12Å; R36-Q40 PolarHBondContact O-N 2.74Å
37	Q	49.8	Very low	55	Low	48 Å²	48	100.5 Å²	100.5	22%	0.224	46%	0.459	C	S	.	.	H	α-helix	trans	-63.2	-42.4	177.2	-74.7	-64.7	-4.8	0	0	111.3	F33 Q34 R39 Q40 M41 E227	F33-Q37 HydrophobicContact CD1-CG 3.89Å; F33-Q37 HydrophobicContact CE1-CG 3.4Å; F33-Q37 HydrophobicContact CE2-CG 4.14Å; F33-Q37 HydrophobicContact CG-CG 4.48Å; F33-Q37 HydrophobicContact CZ-CG 3.55Å; F33-Q37 PolarHBondContact O-N 3.46Å; Q34-Q37 PolarHBondContact O-N 3.27Å; Q37-R39 PolarHBondContact O-N 3.1Å; Q37-Q40 CarbonylContact O-C 3.49Å; Q37-Q40 PolarHBondContact O-N 3.29Å; Q37-M41 PolarHBondContact O-N 3.06Å; Q37-E227 PolarHBondContact NE2-OE1 3.01Å; Q37-E227 PolarHBondContact NE2-OE2 3.42Å; Q37-E227 VanDerWaalsContact NE2-OE2 3.13Å
38	Q	57	Low	54.7	Low	126 Å²	126	96.9 Å²	96.9	59%	0.589	45%	0.451	S	S	*	.	H	α-helix	trans	-63.2	-42	175.1	-161.7	176.2	26	0	0	111.3	Q34 Q40 M41 I42	Q34-Q38 VanDerWaalsContact O-CB 3.27Å; Q34-Q38 WeakPolarHBondContact O-CB 3.45Å; Q34-Q38 PolarHBondContact O-N 3.49Å; Q38-Q40 PolarHBondContact O-N 3.46Å; Q38-M41 PolarHBondContact O-N 3.36Å; Q38-I42 HydrophobicContact CG-CD1 4.23Å; Q38-I42 WeakPolarHBondContact O-CB 3.36Å; Q38-I42 WeakPolarHBondContact O-CD1 3.38Å; Q38-I42 WeakPolarHBondContact O-CG1 3.17Å; Q38-I42 PolarHBondContact O-N 3.49Å
39	R	67.7	Low	54	Low	132 Å²	132	96.2 Å²	96.2	50%	0.498	46%	0.455	S	S	.	.	H	α-helix	trans	-63.7	-38.1	172.7	-73.5	171.7	-170.2	-175.8	8.4	112.4	Q35 R36 Q37 R43	Q35-R39 VanDerWaalsContact CD-NH2 3.29Å; Q35-R39 WeakPolarHBondContact O-CB 3.48Å; Q35-R39 WeakPolarHBondContact O-CG 3.45Å; Q35-R39 PolarHBondContact O-N 2.82Å; R36-R39 PolarHBondContact O-N 3.39Å; Q37-R39 PolarHBondContact O-N 3.1Å; R39-R43 WeakPolarHBondContact O-CB 3.44Å; R39-R43 VanDerWaalsContact O-CG 3.26Å; R39-R43 WeakPolarHBondContact O-CG 3.34Å; R39-R43 PolarHBondContact O-N 3.48Å
40	Q	62	Low	53.9	Low	89 Å²	89	100.4 Å²	100.4	42%	0.416	47%	0.474	S	S	.	.	H	α-helix	trans	-69.6	-41.8	176.3	-74.3	-174.8	31.2	0	0	112	R36 Q37 Q38 R43 K44	R36-Q40 WeakPolarHBondContact O-CB 3.41Å; R36-Q40 WeakPolarHBondContact O-CG 3.12Å; R36-Q40 PolarHBondContact O-N 2.74Å; Q37-Q40 CarbonylContact O-C 3.49Å; Q37-Q40 PolarHBondContact O-N 3.29Å; Q38-Q40 PolarHBondContact O-N 3.46Å; Q40-R43 CarbonylContact O-C 3.59Å; Q40-R43 PolarHBondContact O-N 2.99Å; Q40-K44 WeakPolarHBondContact O-CB 3.31Å; Q40-K44 WeakPolarHBondContact O-CG 3.47Å; Q40-K44 PolarHBondContact O-N 3Å
41	M	42.6	Very low	53.4	Low	127 Å²	127	107.6 Å²	107.6	63%	0.626	51%	0.507	S	S	*	.	H	α-helix	trans	-61	-46.6	171.4	-88.4	-163.5	-173	0	0	111.1	Q37 Q38 R43 K44 I45	Q37-M41 PolarHBondContact O-N 3.06Å; Q38-M41 PolarHBondContact O-N 3.36Å; M41-R43 VanDerWaalsContact C-N 3.28Å; M41-R43 PolarHBondContact O-N 3.48Å; M41-K44 CarbonylContact O-C 3.57Å; M41-K44 PolarHBondContact O-N 2.98Å; M41-K44 VanDerWaalsContact O-N 3.15Å; M41-I45 WeakPolarHBondContact O-CB 3.14Å; M41-I45 VanDerWaalsContact O-CG1 3.26Å; M41-I45 WeakPolarHBondContact O-CG1 3.07Å; M41-I45 PolarHBondContact O-N 3.31Å
42	I	58.6	Low	52	Low	102 Å²	102	111.9 Å²	111.9	52%	0.523	52%	0.524	S	S	.	.	H	α-helix	trans	-60.1	-40.5	176.2	-68.7	163.8	0	0	0	110.5	Q38 R46	Q38-I42 HydrophobicContact CG-CD1 4.23Å; Q38-I42 WeakPolarHBondContact O-CB 3.36Å; Q38-I42 WeakPolarHBondContact O-CD1 3.38Å; Q38-I42 WeakPolarHBondContact O-CG1 3.17Å; Q38-I42 PolarHBondContact O-N 3.49Å; I42-R46 WeakPolarHBondContact O-CB 3.41Å; I42-R46 PolarHBondContact O-N 3.02Å
43	R	59.8	Low	50.3	Low	168 Å²	168	117.1 Å²	117.1	63%	0.634	55%	0.546	S	S	*	.	H	α-helix	trans	-65.3	-43.8	173.5	-76.8	173.9	179.7	176.7	-1	112.3	R39 Q40 M41 R46 N47	R39-R43 WeakPolarHBondContact O-CB 3.44Å; R39-R43 VanDerWaalsContact O-CG 3.26Å; R39-R43 WeakPolarHBondContact O-CG 3.34Å; R39-R43 PolarHBondContact O-N 3.48Å; Q40-R43 CarbonylContact O-C 3.59Å; Q40-R43 PolarHBondContact O-N 2.99Å; M41-R43 VanDerWaalsContact C-N 3.28Å; M41-R43 PolarHBondContact O-N 3.48Å; R43-R46 PolarHBondContact O-N 3.17Å; R43-N47 VanDerWaalsContact O-CB 3.28Å; R43-N47 WeakPolarHBondContact O-CB 3.36Å; R43-N47 PolarHBondContact O-N 3.12Å; R43-N47 PolarHBondContact O-OD1 2.86Å
44	K	51.8	Low	49.3	Very low	147 Å²	147	129.1 Å²	129.1	64%	0.639	59%	0.591	S	S	*	*	H	α-helix	trans	-64.7	-42.7	177.5	-79	-176.2	179.7	-179.6	0	111.2	Q40 M41 N47 S48	Q40-K44 WeakPolarHBondContact O-CB 3.31Å; Q40-K44 WeakPolarHBondContact O-CG 3.47Å; Q40-K44 PolarHBondContact O-N 3Å; M41-K44 CarbonylContact O-C 3.57Å; M41-K44 PolarHBondContact O-N 2.98Å; M41-K44 VanDerWaalsContact O-N 3.15Å; K44-N47 CarbonylContact O-C 3.58Å; K44-N47 PolarHBondContact O-N 3.15Å; K44-S48 WeakPolarHBondContact O-CA 3.47Å; K44-S48 WeakPolarHBondContact O-CB 3.47Å; K44-S48 PolarHBondContact O-N 3.37Å; K44-S48 PolarHBondContact O-OG 3.43Å
45	I	49.8	Very low	48.3	Very low	95 Å²	95	134.1 Å²	134.1	49%	0.487	61%	0.612	S	S	.	*	H	α-helix	trans	-64.3	-44.6	174.4	-67.1	165.3	0	0	0	110.4	M41 N47 S48 N49	M41-I45 WeakPolarHBondContact O-CB 3.14Å; M41-I45 VanDerWaalsContact O-CG1 3.26Å; M41-I45 WeakPolarHBondContact O-CG1 3.07Å; M41-I45 PolarHBondContact O-N 3.31Å; I45-N47 VanDerWaalsContact C-N 3.26Å; I45-N47 PolarHBondContact O-N 2.98Å; I45-S48 WeakPolarHBondContact CA-OG 3.19Å; I45-S48 PolarHBondContact O-N 3.17Å; I45-S48 PolarHBondContact O-OG 3.3Å; I45-N49 VanDerWaalsContact O-CG 3.3Å; I45-N49 PolarHBondContact O-N 3Å; I45-N49 PolarHBondContact O-OD1 3.49Å
46	R	54.4	Low	46.4	Very low	193 Å²	193	135.7 Å²	135.7	73%	0.728	63%	0.63	S	S	*	*	H	α-helix	trans	-61	-35.9	175.7	-171.2	177.7	-170.4	175.5	3.2	112.1	I42 R43	I42-R46 WeakPolarHBondContact O-CB 3.41Å; I42-R46 PolarHBondContact O-N 3.02Å; R43-R46 PolarHBondContact O-N 3.17Å
47	N	51.3	Low	44.6	Very low	105 Å²	105	138 Å²	138	56%	0.561	65%	0.646	S	S	*	*	H	α-helix	trans	-84.2	-33.6	178.6	-67.5	-4	0	0	0	112.5	R43 K44 I45 N50	R43-N47 VanDerWaalsContact O-CB 3.28Å; R43-N47 WeakPolarHBondContact O-CB 3.36Å; R43-N47 PolarHBondContact O-N 3.12Å; R43-N47 PolarHBondContact O-OD1 2.86Å; K44-N47 CarbonylContact O-C 3.58Å; K44-N47 PolarHBondContact O-N 3.15Å; I45-N47 VanDerWaalsContact C-N 3.26Å; I45-N47 PolarHBondContact O-N 2.98Å; N47-N50 WeakPolarHBondContact O-CB 3.49Å; N47-N50 PolarHBondContact O-N 3.21Å; N47-N50 VanDerWaalsContact O-N 3.07Å
48	S	42.3	Very low	43.3	Very low	63 Å²	63	145.1 Å²	145.1	44%	0.441	68%	0.679	S	S	.	*	H	α-helix	trans	-76.1	-24.6	-179.4	66.8	0	0	0	0	112.4	K44 I45 N50 E51	K44-S48 WeakPolarHBondContact O-CA 3.47Å; K44-S48 WeakPolarHBondContact O-CB 3.47Å; K44-S48 PolarHBondContact O-N 3.37Å; K44-S48 PolarHBondContact O-OG 3.43Å; I45-S48 WeakPolarHBondContact CA-OG 3.19Å; I45-S48 PolarHBondContact O-N 3.17Å; I45-S48 PolarHBondContact O-OG 3.3Å; S48-N50 PolarHBondContact O-N 2.96Å; S48-N50 VanDerWaalsContact O-N 3.13Å; S48-E51 CarbonylContact O-C 3.47Å; S48-E51 PolarHBondContact O-N 2.91Å
49	N	46.3	Very low	41.8	Very low	124 Å²	124	147.6 Å²	147.6	66%	0.663	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-16.3	166.1	-75.6	-2.9	0	0	0	112.4	I45	I45-N49 VanDerWaalsContact O-CG 3.3Å; I45-N49 PolarHBondContact O-N 3Å; I45-N49 PolarHBondContact O-OD1 3.49Å
50	N	42.9	Very low	39.6	Very low	136 Å²	136	148.7 Å²	148.7	73%	0.727	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-12	173.4	-64.9	-13.6	0	0	0	113.8	N47 S48	N47-N50 WeakPolarHBondContact O-CB 3.49Å; N47-N50 PolarHBondContact O-N 3.21Å; N47-N50 VanDerWaalsContact O-N 3.07Å; S48-N50 PolarHBondContact O-N 2.96Å; S48-N50 VanDerWaalsContact O-N 3.13Å
51	E	32.4	Very low	37.9	Very low	167 Å²	167	151.5 Å²	151.5	78%	0.78	72%	0.721	S	S	*	*			trans	-138.7	84.4	-174.9	-72	-173.3	169.2	0	0	111.5	S48	S48-E51 CarbonylContact O-C 3.47Å; S48-E51 PolarHBondContact O-N 2.91Å
52	I	29	Very low	36.9	Very low	146 Å²	146	154 Å²	154	75%	0.749	73%	0.731	S	S	*	*			trans	-70.2	142.5	159	-56	173	0	0	0	107.6
53	Q	28.2	Very low	35.3	Very low	174 Å²	174	156.6 Å²	156.6	81%	0.813	74%	0.744	S	S	*	*			trans	96.1	106.5	162.7	-48.6	-178.3	15.9	0	0	116.7
54	R	29.9	Very low	33.6	Very low	259 Å²	259	158 Å²	158	98%	0.977	76%	0.755	S	S	*	*			trans	-164.3	144	132.7	-102.1	161.6	-158.7	-151	6.8	112.3
55	K	26.6	Very low	32.2	Very low	201 Å²	201	159.6 Å²	159.6	87%	0.874	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-84.8	160.6	-165.3	-73.7	176.7	174.5	178.3	0	113.2
56	P	27.5	Very low	31.2	Very low	126 Å²	126	161.1 Å²	161.1	82%	0.818	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-90.8	129.5	-175.9	32.9	-27.2	0	0	0	112.7
57	E	26.8	Very low	29.9	Very low	170 Å²	170	160.2 Å²	160.2	79%	0.794	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-88.6	137	172.4	-78.8	179	169.1	0	0	111.6	F59	E57-F59 HydrophobicContact CB-CE2 4.48Å
58	Q	22.8	Very low	28.7	Very low	198 Å²	198	160.5 Å²	160.5	93%	0.925	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-86.2	125.3	177.3	-69.7	172.3	-23.6	0	0	109.9
59	F	24.5	Very low	28	Very low	177 Å²	177	163.7 Å²	163.7	78%	0.776	80%	0.804	S	S	*	*			trans	-117.7	130.1	174.7	-94	-88.3	0	0	0	112.1	E57	E57-F59 HydrophobicContact CB-CE2 4.48Å
60	N	22.6	Very low	26.8	Very low	156 Å²	156	165.9 Å²	165.9	83%	0.834	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-82.6	129.3	177.3	-79	-41.7	0	0	0	111.3	H62	N60-H62 PolarHBondContact O-N 2.94Å
61	L	25	Very low	26.2	Very low	148 Å²	148	165.4 Å²	165.4	78%	0.775	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-70.8	119.1	175.7	-105.8	89.6	0	0	0	111.2
62	H	22.8	Very low	25.9	Very low	178 Å²	178	161.6 Å²	161.6	82%	0.824	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-83.8	122.4	159	-82.8	-73.5	0	0	0	110.1	N60 F64	N60-H62 PolarHBondContact O-N 2.94Å; H62-F64 PolarHBondContact O-N 3.49Å
63	I	25.2	Very low	25.7	Very low	158 Å²	158	163 Å²	163	81%	0.81	79%	0.791	S	S	*	*			trans	-63.2	115.4	175.1	-63.6	165.6	0	0	0	108.6	K65	I63-K65 PolarHBondContact O-N 3.07Å; I63-K65 VanDerWaalsContact O-N 3.15Å
64	F	24.1	Very low	25.8	Very low	197 Å²	197	160.8 Å²	160.8	86%	0.864	78%	0.78	S	S	*	*			trans	-61.6	112	173.7	-90.7	-94.1	0	0	0	109.8	H62	H62-F64 PolarHBondContact O-N 3.49Å
65	K	22.3	Very low	25.6	Very low	180 Å²	180	154.3 Å²	154.3	78%	0.783	76%	0.764	S	S	*	*			trans	-83.7	134.9	162.4	-78.5	-175	177.1	-180	0	108.6	I63 E67	I63-K65 PolarHBondContact O-N 3.07Å; I63-K65 VanDerWaalsContact O-N 3.15Å; K65-E67 PolarHBondContact O-N 3.26Å
66	P	28.1	Very low	25.6	Very low	128 Å²	128	153.8 Å²	153.8	83%	0.831	76%	0.762	S	S	*	*			trans	-74.4	95	177	29.8	-30.2	0	0	0	108.2	S68	P66-S68 PolarHBondContact O-N 3.47Å
67	E	26.7	Very low	25.6	Very low	174 Å²	174	153 Å²	153	81%	0.813	75%	0.749	S	S	*	*			trans	-67.2	123.3	164.7	-75.1	178.7	175	0	0	107.9	K65 L69	K65-E67 PolarHBondContact O-N 3.26Å; E67-L69 PolarHBondContact O-N 2.74Å
68	S	25.9	Very low	25.6	Very low	110 Å²	110	149.2 Å²	149.2	77%	0.769	74%	0.735	S	S	*	*			trans	-54.6	96.5	175.9	51.8	0	0	0	0	110.3	P66 Q70	P66-S68 PolarHBondContact O-N 3.47Å; S68-Q70 PolarHBondContact O-N 2.98Å
69	L	27.5	Very low	26	Very low	131 Å²	131	147.4 Å²	147.4	69%	0.686	72%	0.724	S	S	*	*			trans	-63.2	99.3	168.5	-83.5	151.8	0	0	0	108	E67 Y71	E67-L69 PolarHBondContact O-N 2.74Å; L69-Y71 HydrophobicContact CB-CD2 4.16Å; L69-Y71 HydrophobicContact CB-CE2 3.68Å; L69-Y71 WeakPolarHBondContact O-CD2 3.39Å; L69-Y71 PolarHBondContact O-N 3.21Å
70	Q	22.4	Very low	26.2	Very low	170 Å²	170	149.5 Å²	149.5	79%	0.794	73%	0.728	S	S	*	*			trans	-66.3	97.7	166.5	-75.6	-172.6	-8.2	0	0	108.4	S68 S72	S68-Q70 PolarHBondContact O-N 2.98Å; Q70-S72 PolarHBondContact O-N 2.93Å
71	Y	30.5	Very low	26.4	Very low	126 Å²	126	149.5 Å²	149.5	49%	0.494	72%	0.721	S	S	.	*			trans	-73.4	40.4	175.1	-71.3	-84.2	0	0	0	113.2	L69 F74	L69-Y71 HydrophobicContact CB-CD2 4.16Å; L69-Y71 HydrophobicContact CB-CE2 3.68Å; L69-Y71 WeakPolarHBondContact O-CD2 3.39Å; L69-Y71 PolarHBondContact O-N 3.21Å; Y71-F74 AromaticContact CD1-CE2 3.78Å; Y71-F74 HydrophobicContact CD1-CE2 3.78Å; Y71-F74 HydrophobicContact CE1-CE2 4.28Å
72	S	25.6	Very low	26.6	Very low	86 Å²	86	149.7 Å²	149.7	60%	0.601	72%	0.723	S	S	*	*			trans	-102.3	65.4	172.1	68	0	0	0	0	110	Q70	Q70-S72 PolarHBondContact O-N 2.93Å
73	K	25.8	Very low	26.8	Very low	175 Å²	175	145.7 Å²	145.7	76%	0.761	71%	0.707	S	S	*	*			trans	175.1	52.8	162.4	-99.9	160.7	-170.9	-179.9	0	112.4	N75	K73-N75 PolarHBondContact O-N 3.09Å
74	F	29.7	Very low	26.8	Very low	129 Å²	129	142.5 Å²	142.5	57%	0.566	70%	0.697	S	S	*	*			trans	-73.2	65.4	146	-77.4	-73.3	0	0	0	108.2	Y71 K76 I77 Y189	Y71-F74 AromaticContact CD1-CE2 3.78Å; Y71-F74 HydrophobicContact CD1-CE2 3.78Å; Y71-F74 HydrophobicContact CE1-CE2 4.28Å; F74-K76 PolarHBondContact O-N 3.4Å; F74-K76 VanDerWaalsContact O-N 3.09Å; F74-I77 HydrophobicContact CD1-CD1 4.31Å; F74-Y189 HydrophobicContact CZ-CE1 4.27Å
75	N	25.1	Very low	27.1	Very low	122 Å²	122	141.2 Å²	141.2	65%	0.652	70%	0.698	S	S	*	*			trans	-61.2	114.8	162.7	-86.3	-10.8	0	0	0	105.5	K73 I77	K73-N75 PolarHBondContact O-N 3.09Å; N75-I77 PolarHBondContact O-N 3.44Å
76	K	27.5	Very low	27.4	Very low	191 Å²	191	141.1 Å²	141.1	83%	0.83	70%	0.7	S	S	*	*			trans	-2.2	90	165.2	-75	176	175	176.1	0	111.4	F74 D78	F74-K76 PolarHBondContact O-N 3.4Å; F74-K76 VanDerWaalsContact O-N 3.09Å; K76-D78 VanDerWaalsContact C-N 3.3Å; K76-D78 PolarHBondContact O-N 3.15Å
77	I	27.5	Very low	27.5	Very low	108 Å²	108	137.7 Å²	137.7	55%	0.554	67%	0.674	S	S	*	*			trans	-63.9	104.5	167.8	-63.8	173.4	0	0	0	103.6	F74 N75 F79	F74-I77 HydrophobicContact CD1-CD1 4.31Å; N75-I77 PolarHBondContact O-N 3.44Å; I77-F79 HydrophobicContact CB-CD2 4.19Å; I77-F79 HydrophobicContact CB-CE2 4.16Å; I77-F79 HydrophobicContact CG2-CD2 3.98Å; I77-F79 HydrophobicContact CG2-CE2 4.08Å; I77-F79 HydrophobicContact CG2-CG 4.37Å; I77-F79 WeakPolarHBondContact O-CD2 3.06Å; I77-F79 PolarHBondContact O-N 2.99Å
78	D	26.4	Very low	27.7	Very low	91 Å²	91	139.4 Å²	139.4	49%	0.487	68%	0.679	S	S	.	*			trans	-65	77.9	171.4	-87.1	-12.8	0	0	0	107.1	K76 Y80 K81	K76-D78 VanDerWaalsContact C-N 3.3Å; K76-D78 PolarHBondContact O-N 3.15Å; D78-Y80 PolarHBondContact O-N 3.23Å; D78-K81 HydrophobicContact CB-CB 4.46Å; D78-K81 HydrophobicContact CB-CD 4.24Å; D78-K81 HydrophobicContact CB-CG 4.39Å; D78-K81 PolarHBondContact O-N 3.23Å; D78-K81 WeakPolarHBondContact OD2-CE 3.21Å; D78-K81 IonicContact OD2-NZ 3.49Å; D78-K81 PolarHBondContact OD2-NZ 3.35Å
79	F	31.5	Very low	28.2	Very low	161 Å²	161	135.9 Å²	135.9	71%	0.706	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.3	-17.9	-178.8	-94.8	-85.6	0	0	0	113.3	I77	I77-F79 HydrophobicContact CB-CD2 4.19Å; I77-F79 HydrophobicContact CB-CE2 4.16Å; I77-F79 HydrophobicContact CG2-CD2 3.98Å; I77-F79 HydrophobicContact CG2-CE2 4.08Å; I77-F79 HydrophobicContact CG2-CG 4.37Å; I77-F79 WeakPolarHBondContact O-CD2 3.06Å; I77-F79 PolarHBondContact O-N 2.99Å
80	Y	27.6	Very low	28.5	Very low	220 Å²	220	135.7 Å²	135.7	86%	0.863	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-10.7	-172.4	-62.7	-76.7	0	0	0	115.3	D78	D78-Y80 PolarHBondContact O-N 3.23Å
81	K	27.6	Very low	29.2	Very low	156 Å²	156	128.1 Å²	128.1	68%	0.678	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-31.7	-173.3	-82.4	-179	-177.2	153.3	0	114.4	D78	D78-K81 HydrophobicContact CB-CB 4.46Å; D78-K81 HydrophobicContact CB-CD 4.24Å; D78-K81 HydrophobicContact CB-CG 4.39Å; D78-K81 PolarHBondContact O-N 3.23Å; D78-K81 WeakPolarHBondContact OD2-CE 3.21Å; D78-K81 IonicContact OD2-NZ 3.49Å; D78-K81 PolarHBondContact OD2-NZ 3.35Å
82	N	28.2	Very low	29.3	Very low	152 Å²	152	124.9 Å²	124.9	81%	0.813	60%	0.601	S	S	*	*			trans	-129.2	41.2	-171.2	-65.3	-22.6	0	0	0	112.6	P84	N82-P84 VanDerWaalsContact O-CD 3.25Å; N82-P84 WeakPolarHBondContact O-CD 3.46Å
83	L	27.6	Very low	30	Very low	95 Å²	95	125.1 Å²	125.1	50%	0.497	60%	0.595	S	S	.	*			trans	-73.3	117.7	171.7	-164.4	70.5	0	0	0	108.5	L85	L83-L85 PolarHBondContact O-N 3.32Å
84	P	26.1	Very low	30.8	Very low	91 Å²	91	121.3 Å²	121.3	59%	0.591	58%	0.583	S	S	*	*			trans	-64	107.8	175.9	-15.6	30.3	0	0	0	108.7	N82 H86	N82-P84 VanDerWaalsContact O-CD 3.25Å; N82-P84 WeakPolarHBondContact O-CD 3.46Å; P84-H86 PolarHBondContact O-N 3.49Å
85	L	30.6	Very low	31.5	Very low	170 Å²	170	117.1 Å²	117.1	89%	0.89	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	18.6	-177.1	-90.4	150.5	0	0	0	114.9	L83	L83-L85 PolarHBondContact O-N 3.32Å
86	H	28.5	Very low	32.2	Very low	177 Å²	177	116.7 Å²	116.7	82%	0.819	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	5.6	-179.4	-92	-74.8	0	0	0	115.5	P84 K88	P84-H86 PolarHBondContact O-N 3.49Å; H86-K88 PolarHBondContact O-N 3.17Å
87	L	29.5	Very low	33.3	Very low	57 Å²	57	111 Å²	111	30%	0.298	54%	0.538	S	S	.	.			trans	-80.5	81.3	176.6	-71.7	154	0	0	0	111.6	N89 F92 I235 L237	L87-N89 PolarHBondContact O-N 2.64Å; L87-F92 HydrophobicContact CB-CD2 4.47Å; L87-F92 HydrophobicContact CD1-CD2 4.38Å; L87-F92 HydrophobicContact CD1-CE2 3.9Å; L87-I235 HydrophobicContact CD2-CG2 4.39Å; L87-L237 WeakPolarHBondContact CD1-O 3.35Å; L87-L237 VanDerWaalsContact CD1-OXT 3.26Å; L87-L237 WeakPolarHBondContact CD1-OXT 3.45Å
88	K	30.7	Very low	34.4	Very low	210 Å²	210	109.1 Å²	109.1	91%	0.913	53%	0.529	S	S	*	.			trans	-75	45.8	166.7	-78.8	-173.8	173.7	179.7	0	112.2	H86	H86-K88 PolarHBondContact O-N 3.17Å
89	N	35.9	Very low	35.5	Very low	36 Å²	36	109.6 Å²	109.6	19%	0.193	53%	0.531	C	S	.	.			trans	-105.9	129.1	-178.2	-160	13	0	0	0	112.2	L87 S91 F92 I93 I235	L87-N89 PolarHBondContact O-N 2.64Å; N89-S91 PolarHBondContact ND2-OG 2.77Å; N89-S91 PolarHBondContact O-N 2.71Å; N89-F92 PolarHBondContact O-N 3.45Å; N89-I93 PolarHBondContact O-N 2.72Å; N89-I235 HydrophobicContact CB-CG2 3.69Å; N89-I235 VanDerWaalsContact CG-CG2 3.47Å; N89-I235 VanDerWaalsContact ND2-CB 3.25Å; N89-I235 WeakPolarHBondContact ND2-CB 3.5Å; N89-I235 WeakPolarHBondContact ND2-CG2 2.94Å; N89-I235 PolarHBondContact ND2-O 3.03Å
90	E	34.9	Very low	36.5	Very low	127 Å²	127	107.4 Å²	107.4	59%	0.593	52%	0.521	S	S	*	.	H	α-helix	trans	-54.1	-22.3	-177.2	-73.2	-170.5	168.5	0	0	113.3	K25 I93 N94	K25-E90 IonicContact NZ-OE2 3.88Å; K25-E90 PolarHBondContact NZ-OE2 3.12Å; E90-I93 WeakPolarHBondContact O-CB 3.46Å; E90-N94 VanDerWaalsContact O-CG 3.22Å; E90-N94 PolarHBondContact O-N 2.76Å; E90-N94 PolarHBondContact O-ND2 3.37Å; E90-N94 PolarHBondContact O-OD1 3.33Å
91	S	37	Very low	37.9	Very low	10 Å²	10	99.2 Å²	99.2	7%	0.07	50%	0.496	C	S	.	.	H	α-helix	trans	-80.8	-37.4	-174.5	-22.6	0	0	0	0	113.6	N89 I93 N94 I95 M236	N89-S91 PolarHBondContact ND2-OG 2.77Å; N89-S91 PolarHBondContact O-N 2.71Å; S91-I93 PolarHBondContact O-N 2.7Å; S91-N94 CarbonylContact O-C 3.34Å; S91-N94 WeakPolarHBondContact O-CA 2.92Å; S91-N94 VanDerWaalsContact O-CB 3.28Å; S91-N94 WeakPolarHBondContact O-CB 3.34Å; S91-N94 PolarHBondContact O-N 3.46Å; S91-I95 PolarHBondContact O-N 3.08Å; S91-M236 WeakPolarHBondContact CB-SD 3.09Å
92	F	33.1	Very low	39.2	Very low	58 Å²	58	92.6 Å²	92.6	25%	0.254	47%	0.468	S	S	.	.	H	α-helix	trans	-64.3	-37.7	167.8	-111.2	-71.3	0	0	0	110.7	L87 N89 N94 I95 H96 M236 L237	L87-F92 HydrophobicContact CB-CD2 4.47Å; L87-F92 HydrophobicContact CD1-CD2 4.38Å; L87-F92 HydrophobicContact CD1-CE2 3.9Å; N89-F92 PolarHBondContact O-N 3.45Å; F92-N94 PolarHBondContact O-N 2.79Å; F92-I95 PolarHBondContact O-N 2.69Å; F92-H96 WeakPolarHBondContact O-CB 3.39Å; F92-H96 PolarHBondContact O-N 2.92Å; F92-M236 WeakPolarHBondContact CD2-O 3.32Å; F92-M236 WeakPolarHBondContact CE2-O 3.36Å; F92-M236 WeakPolarHBondContact CZ-O 3.15Å; F92-L237 VanDerWaalsContact CE2-C 3.45Å; F92-L237 WeakPolarHBondContact CE2-O 3.31Å; F92-L237 WeakPolarHBondContact CZ-O 3.21Å
93	I	38.5	Very low	40.5	Very low	92 Å²	92	94.5 Å²	94.5	47%	0.472	46%	0.464	S	S	.	.	H	α-helix	trans	-57.9	-36.5	169.5	-64.4	172.3	0	0	0	109.2	N89 E90 S91 N97	N89-I93 PolarHBondContact O-N 2.72Å; E90-I93 WeakPolarHBondContact O-CB 3.46Å; S91-I93 PolarHBondContact O-N 2.7Å; I93-N97 WeakPolarHBondContact CG2-ND2 3.16Å; I93-N97 WeakPolarHBondContact O-CA 3.28Å; I93-N97 WeakPolarHBondContact O-CB 3.35Å; I93-N97 PolarHBondContact O-N 3.36Å; I93-N97 PolarHBondContact O-ND2 2.86Å; I93-N97 VanDerWaalsContact O-ND2 3.08Å; I93-N97 PolarHBondContact O-OD1 3.47Å
94	N	43.6	Very low	41.9	Very low	95 Å²	95	93.9 Å²	93.9	51%	0.508	46%	0.46	S	S	.	.	H	α-helix	trans	-70.7	-44.7	176.3	-64.5	-28.5	0	0	0	114.5	E90 S91 F92 N97 L98	E90-N94 VanDerWaalsContact O-CG 3.22Å; E90-N94 PolarHBondContact O-N 2.76Å; E90-N94 PolarHBondContact O-ND2 3.37Å; E90-N94 PolarHBondContact O-OD1 3.33Å; S91-N94 CarbonylContact O-C 3.34Å; S91-N94 WeakPolarHBondContact O-CA 2.92Å; S91-N94 VanDerWaalsContact O-CB 3.28Å; S91-N94 WeakPolarHBondContact O-CB 3.34Å; S91-N94 PolarHBondContact O-N 3.46Å; F92-N94 PolarHBondContact O-N 2.79Å; N94-N97 CarbonylContact O-C 3.59Å; N94-N97 PolarHBondContact O-N 3.49Å; N94-L98 VanDerWaalsContact O-CB 3.29Å; N94-L98 WeakPolarHBondContact O-CB 3.3Å; N94-L98 PolarHBondContact O-N 3.36Å
95	I	43.5	Very low	43.7	Very low	41 Å²	41	93.7 Å²	93.7	21%	0.21	45%	0.453	C	S	.	.	H	α-helix	trans	-69.1	-43.4	176.5	-64.6	168.1	0	0	0	110.1	S91 F92 N97 L98 I99 L143 M236	S91-I95 PolarHBondContact O-N 3.08Å; F92-I95 PolarHBondContact O-N 2.69Å; I95-N97 VanDerWaalsContact C-N 3.31Å; I95-N97 PolarHBondContact O-N 2.75Å; I95-L98 CarbonylContact O-C 3.56Å; I95-L98 WeakPolarHBondContact O-CA 3.21Å; I95-L98 WeakPolarHBondContact O-CB 3.44Å; I95-L98 PolarHBondContact O-N 2.84Å; I95-L98 VanDerWaalsContact O-N 3.12Å; I95-I99 HydrophobicContact CG2-CD1 3.93Å; I95-I99 HydrophobicContact CG2-CG1 4.44Å; I95-I99 VanDerWaalsContact O-CG1 3.31Å; I95-I99 WeakPolarHBondContact O-CG1 3.02Å; I95-I99 PolarHBondContact O-N 3.42Å; I95-L143 HydrophobicContact CD1-CD1 3.84Å; I95-L143 HydrophobicContact CD1-CD2 3.68Å; I95-L143 HydrophobicContact CD1-CG 4.43Å; I95-L143 HydrophobicContact CG1-CD1 4.46Å; I95-L143 HydrophobicContact CG2-CD1 4.45Å; I95-M236 HydrophobicContact CD1-CE 4.45Å; I95-M236 HydrophobicContact CD1-SD 4.47Å
96	H	40.2	Very low	45.2	Very low	112 Å²	112	87.9 Å²	87.9	52%	0.519	42%	0.423	S	S	.	.	H	α-helix	trans	-63.3	-38	173.3	-178.1	-90.4	0	0	0	111.2	F92 L98 I99 K100	F92-H96 WeakPolarHBondContact O-CB 3.39Å; F92-H96 PolarHBondContact O-N 2.92Å; H96-L98 VanDerWaalsContact C-N 3.34Å; H96-I99 PolarHBondContact O-N 3.33Å; H96-K100 WeakPolarHBondContact O-CA 3.12Å; H96-K100 WeakPolarHBondContact O-CB 3.28Å; H96-K100 PolarHBondContact O-N 2.83Å
97	N	50.9	Low	47	Very low	71 Å²	71	82 Å²	82	38%	0.38	40%	0.402	S	S	.	.	H	α-helix	trans	-68.5	-33.3	172.3	-75	-17.8	0	0	0	111.3	I93 N94 I95 S101	I93-N97 WeakPolarHBondContact CG2-ND2 3.16Å; I93-N97 WeakPolarHBondContact O-CA 3.28Å; I93-N97 WeakPolarHBondContact O-CB 3.35Å; I93-N97 PolarHBondContact O-N 3.36Å; I93-N97 PolarHBondContact O-ND2 2.86Å; I93-N97 VanDerWaalsContact O-ND2 3.08Å; I93-N97 PolarHBondContact O-OD1 3.47Å; N94-N97 CarbonylContact O-C 3.59Å; N94-N97 PolarHBondContact O-N 3.49Å; I95-N97 VanDerWaalsContact C-N 3.31Å; I95-N97 PolarHBondContact O-N 2.75Å; N97-S101 WeakPolarHBondContact O-CA 3.29Å; N97-S101 WeakPolarHBondContact O-CB 3.31Å; N97-S101 PolarHBondContact O-N 3.29Å; N97-S101 PolarHBondContact O-OG 3.46Å
98	L	50.3	Low	49	Very low	69 Å²	69	85.7 Å²	85.7	36%	0.361	42%	0.415	S	S	.	.	H	α-helix	trans	-65	-50.1	173.2	-167.4	82.9	0	0	0	109.2	N94 I95 H96 K100 S101 N102	N94-L98 VanDerWaalsContact O-CB 3.29Å; N94-L98 WeakPolarHBondContact O-CB 3.3Å; N94-L98 PolarHBondContact O-N 3.36Å; I95-L98 CarbonylContact O-C 3.56Å; I95-L98 WeakPolarHBondContact O-CA 3.21Å; I95-L98 WeakPolarHBondContact O-CB 3.44Å; I95-L98 PolarHBondContact O-N 2.84Å; I95-L98 VanDerWaalsContact O-N 3.12Å; H96-L98 VanDerWaalsContact C-N 3.34Å; L98-K100 PolarHBondContact O-N 3.49Å; L98-S101 WeakPolarHBondContact CA-OG 3.46Å; L98-S101 PolarHBondContact O-OG 2.79Å; L98-N102 WeakPolarHBondContact O-CA 3.35Å; L98-N102 WeakPolarHBondContact O-CB 3.33Å; L98-N102 PolarHBondContact O-N 2.81Å; L98-N102 PolarHBondContact O-ND2 3.45Å
99	I	49.5	Very low	50.9	Low	101 Å²	101	77 Å²	77	52%	0.518	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-43.1	175.8	-66.1	167.5	0	0	0	111	I95 H96 R103	I95-I99 HydrophobicContact CG2-CD1 3.93Å; I95-I99 HydrophobicContact CG2-CG1 4.44Å; I95-I99 VanDerWaalsContact O-CG1 3.31Å; I95-I99 WeakPolarHBondContact O-CG1 3.02Å; I95-I99 PolarHBondContact O-N 3.42Å; H96-I99 PolarHBondContact O-N 3.33Å; I99-R103 VanDerWaalsContact O-CB 3.31Å; I99-R103 WeakPolarHBondContact O-CB 3.2Å; I99-R103 PolarHBondContact O-N 2.71Å
100	K	52.2	Low	52.6	Low	116 Å²	116	79.6 Å²	79.6	50%	0.504	39%	0.39	S	S	.	.	H	α-helix	trans	-72	-42.2	-178.9	-173.8	179.7	-179.4	-178	0	111.9	H96 L98 R103 I104	H96-K100 WeakPolarHBondContact O-CA 3.12Å; H96-K100 WeakPolarHBondContact O-CB 3.28Å; H96-K100 PolarHBondContact O-N 2.83Å; L98-K100 PolarHBondContact O-N 3.49Å; K100-R103 WeakPolarHBondContact O-CB 3.34Å; K100-R103 PolarHBondContact O-N 3.08Å; K100-I104 WeakPolarHBondContact O-CG1 3.43Å; K100-I104 PolarHBondContact O-N 3.27Å
101	S	56.8	Low	54.6	Low	47 Å²	47	77.9 Å²	77.9	33%	0.329	39%	0.385	S	S	.	.	H	α-helix	trans	-65.7	-43	173.2	61.4	0	0	0	0	110.2	N97 L98 R103 I104 I105	N97-S101 WeakPolarHBondContact O-CA 3.29Å; N97-S101 WeakPolarHBondContact O-CB 3.31Å; N97-S101 PolarHBondContact O-N 3.29Å; N97-S101 PolarHBondContact O-OG 3.46Å; L98-S101 WeakPolarHBondContact CA-OG 3.46Å; L98-S101 PolarHBondContact O-OG 2.79Å; S101-R103 VanDerWaalsContact C-N 3.3Å; S101-R103 PolarHBondContact O-N 3.26Å; S101-I104 WeakPolarHBondContact O-CB 3.35Å; S101-I104 PolarHBondContact O-N 2.93Å; S101-I104 VanDerWaalsContact O-N 3.1Å; S101-I105 VanDerWaalsContact O-CG1 3.27Å; S101-I105 WeakPolarHBondContact O-CG1 3.43Å; S101-I105 PolarHBondContact O-N 3.39Å
102	N	55.3	Low	56.5	Low	18 Å²	18	82 Å²	82	10%	0.096	40%	0.403	C	S	.	.	H	α-helix	trans	-63.2	-35.6	172.9	-69.8	-12.3	0	0	0	111.3	L98 I104 I105 L106 L136	L98-N102 WeakPolarHBondContact O-CA 3.35Å; L98-N102 WeakPolarHBondContact O-CB 3.33Å; L98-N102 PolarHBondContact O-N 2.81Å; L98-N102 PolarHBondContact O-ND2 3.45Å; N102-I104 PolarHBondContact O-N 3.36Å; N102-I105 PolarHBondContact O-N 3.01Å; N102-L106 WeakPolarHBondContact O-CB 3.4Å; N102-L106 WeakPolarHBondContact O-CD1 3.4Å; N102-L106 WeakPolarHBondContact O-CG 3.26Å; N102-L106 PolarHBondContact O-N 3.36Å; N102-L136 HydrophobicContact CB-CD1 4.47Å; N102-L136 WeakPolarHBondContact ND2-CD2 3.08Å
103	R	57	Low	58.4	Low	191 Å²	191	81.6 Å²	81.6	72%	0.721	40%	0.403	S	S	*	.	H	α-helix	trans	-63.4	-40.2	172	-172.9	179.8	179.1	-176	0.3	112.2	I99 K100 S101 L106 S107	I99-R103 VanDerWaalsContact O-CB 3.31Å; I99-R103 WeakPolarHBondContact O-CB 3.2Å; I99-R103 PolarHBondContact O-N 2.71Å; K100-R103 WeakPolarHBondContact O-CB 3.34Å; K100-R103 PolarHBondContact O-N 3.08Å; S101-R103 VanDerWaalsContact C-N 3.3Å; S101-R103 PolarHBondContact O-N 3.26Å; R103-L106 PolarHBondContact O-N 2.83Å; R103-S107 WeakPolarHBondContact O-CB 3.3Å; R103-S107 PolarHBondContact O-N 2.91Å; R103-S107 PolarHBondContact O-OG 3.34Å
104	I	56.9	Low	60.2	Low	83 Å²	83	81.4 Å²	81.4	43%	0.426	41%	0.41	S	S	.	.	H	α-helix	trans	-66.8	-40.6	174.8	-66.9	164.7	0	0	0	110.5	K100 S101 N102 S107 K108	K100-I104 WeakPolarHBondContact O-CG1 3.43Å; K100-I104 PolarHBondContact O-N 3.27Å; S101-I104 WeakPolarHBondContact O-CB 3.35Å; S101-I104 PolarHBondContact O-N 2.93Å; S101-I104 VanDerWaalsContact O-N 3.1Å; N102-I104 PolarHBondContact O-N 3.36Å; I104-S107 PolarHBondContact O-OG 2.93Å; I104-S107 VanDerWaalsContact O-OG 3.06Å; I104-K108 HydrophobicContact CG2-CD 4.31Å; I104-K108 WeakPolarHBondContact O-CB 3.33Å; I104-K108 WeakPolarHBondContact O-CG 3.28Å; I104-K108 PolarHBondContact O-N 3.01Å
105	I	63.9	Low	61.9	Low	86 Å²	86	86.1 Å²	86.1	44%	0.441	42%	0.422	S	S	.	.	H	α-helix	trans	-63.2	-46.4	175.1	-67.9	163.8	0	0	0	109.6	S101 N102 S107 K108 W109 L132	S101-I105 VanDerWaalsContact O-CG1 3.27Å; S101-I105 WeakPolarHBondContact O-CG1 3.43Å; S101-I105 PolarHBondContact O-N 3.39Å; N102-I105 PolarHBondContact O-N 3.01Å; I105-S107 PolarHBondContact O-N 3.3Å; I105-K108 PolarHBondContact O-N 3.34Å; I105-W109 WeakPolarHBondContact O-CB 3.47Å; I105-W109 PolarHBondContact O-N 2.97Å; I105-L132 HydrophobicContact CG2-CD2 4.06Å
106	L	60.4	Low	63.6	Low	48 Å²	48	84.9 Å²	84.9	25%	0.251	42%	0.417	S	S	.	.	H	α-helix	trans	-61	-43.8	177.7	-75.6	165.8	0	0	0	112.3	N102 R103 W109 L110 F129 L132	N102-L106 WeakPolarHBondContact O-CB 3.4Å; N102-L106 WeakPolarHBondContact O-CD1 3.4Å; N102-L106 WeakPolarHBondContact O-CG 3.26Å; N102-L106 PolarHBondContact O-N 3.36Å; R103-L106 PolarHBondContact O-N 2.83Å; L106-W109 PolarHBondContact O-N 2.81Å; L106-L110 WeakPolarHBondContact O-CB 3.07Å; L106-L110 WeakPolarHBondContact O-CG 3.35Å; L106-L110 PolarHBondContact O-N 3.5Å; L106-F129 HydrophobicContact CD2-CD2 3.74Å; L106-F129 HydrophobicContact CD2-CE2 3.34Å; L106-L132 HydrophobicContact CD2-CD2 3.81Å; L106-L132 HydrophobicContact CG-CD2 3.93Å
107	S	66.3	Low	65.7	Low	55 Å²	55	86.3 Å²	86.3	39%	0.385	43%	0.434	S	S	.	.	H	α-helix	trans	-69	-42.1	178.6	67.5	0	0	0	0	112	R103 I104 I105 W109 L110 N111	R103-S107 WeakPolarHBondContact O-CB 3.3Å; R103-S107 PolarHBondContact O-N 2.91Å; R103-S107 PolarHBondContact O-OG 3.34Å; I104-S107 PolarHBondContact O-OG 2.93Å; I104-S107 VanDerWaalsContact O-OG 3.06Å; I105-S107 PolarHBondContact O-N 3.3Å; S107-W109 VanDerWaalsContact C-N 3.31Å; S107-W109 PolarHBondContact O-N 3.5Å; S107-L110 PolarHBondContact O-N 2.92Å; S107-N111 WeakPolarHBondContact O-CB 3.38Å; S107-N111 VanDerWaalsContact O-CG 3.24Å; S107-N111 PolarHBondContact O-N 3.39Å; S107-N111 PolarHBondContact O-ND2 3.19Å
108	K	72.2	Confident	67.5	Low	133 Å²	133	87.2 Å²	87.2	58%	0.578	44%	0.439	S	S	*	.	H	α-helix	trans	-60.7	-43.3	172.7	-76.4	-178.7	178.3	-175.3	0	111.3	I104 I105 N111 Q112	I104-K108 HydrophobicContact CG2-CD 4.31Å; I104-K108 WeakPolarHBondContact O-CB 3.33Å; I104-K108 WeakPolarHBondContact O-CG 3.28Å; I104-K108 PolarHBondContact O-N 3.01Å; I105-K108 PolarHBondContact O-N 3.34Å; K108-N111 PolarHBondContact O-N 3.26Å; K108-Q112 WeakPolarHBondContact O-CG 3.06Å; K108-Q112 PolarHBondContact O-N 3.48Å
109	W	71.4	Confident	69	Low	29 Å²	29	89.8 Å²	89.8	11%	0.11	45%	0.453	C	S	.	.	H	α-helix	trans	-63.2	-49.3	177.8	178.7	90.4	0	0	0	111.9	I105 L106 S107 N111 Q112 L113 L125 F129	I105-W109 WeakPolarHBondContact O-CB 3.47Å; I105-W109 PolarHBondContact O-N 2.97Å; L106-W109 PolarHBondContact O-N 2.81Å; S107-W109 VanDerWaalsContact C-N 3.31Å; S107-W109 PolarHBondContact O-N 3.5Å; W109-N111 VanDerWaalsContact C-N 3.27Å; W109-N111 PolarHBondContact O-N 3.33Å; W109-Q112 WeakPolarHBondContact O-CB 3.23Å; W109-Q112 PolarHBondContact O-N 2.78Å; W109-L113 HydrophobicContact CH2-CD1 4.04Å; W109-L113 HydrophobicContact CH2-CD2 3.9Å; W109-L113 HydrophobicContact CH2-CG 4.41Å; W109-L113 HydrophobicContact CZ2-CD1 3.72Å; W109-L113 HydrophobicContact CZ2-CD2 4.43Å; W109-L113 HydrophobicContact CZ2-CG 4.48Å; W109-L113 HydrophobicContact CZ3-CD2 4.31Å; W109-L113 PolarHBondContact O-N 3.25Å; W109-L125 HydrophobicContact CZ2-CB 4.45Å; W109-L125 VanDerWaalsContact NE1-C 3.29Å; W109-L125 PolarHBondContact NE1-O 2.78Å; W109-F129 HydrophobicContact CD2-CB 4.12Å; W109-F129 HydrophobicContact CD2-CD2 4Å; W109-F129 HydrophobicContact CD2-CG 4.32Å; W109-F129 VanDerWaalsContact CE2-CB 3.45Å; W109-F129 AromaticContact CE2-CG 3.99Å; W109-F129 AromaticContact CE3-CD2 3.77Å; W109-F129 HydrophobicContact CE3-CD2 3.77Å; W109-F129 HydrophobicContact CE3-CE2 4.18Å; W109-F129 HydrophobicContact CE3-CG 4.3Å; W109-F129 HydrophobicContact CH2-CB 3.9Å; W109-F129 AromaticContact CH2-CD1 3.96Å; W109-F129 HydrophobicContact CH2-CD1 3.96Å; W109-F129 AromaticContact CH2-CD2 3.94Å; W109-F129 HydrophobicContact CH2-CD2 3.94Å; W109-F129 HydrophobicContact CH2-CE1 4.42Å; W109-F129 HydrophobicContact CH2-CE2 4.4Å; W109-F129 AromaticContact CH2-CG 3.68Å; W109-F129 HydrophobicContact CH2-CG 3.68Å; W109-F129 HydrophobicContact CZ2-CB 3.33Å; W109-F129 HydrophobicContact CZ2-CD1 4.22Å; W109-F129 HydrophobicContact CZ2-CD2 4.14Å; W109-F129 AromaticContact CZ2-CG 3.68Å; W109-F129 HydrophobicContact CZ2-CG 3.68Å; W109-F129 HydrophobicContact CZ3-CB 4.47Å; W109-F129 HydrophobicContact CZ3-CD1 4.44Å; W109-F129 AromaticContact CZ3-CD2 3.74Å; W109-F129 HydrophobicContact CZ3-CD2 3.74Å; W109-F129 AromaticContact CZ3-CE2 3.95Å; W109-F129 HydrophobicContact CZ3-CE2 3.95Å; W109-F129 AromaticContact CZ3-CG 3.99Å; W109-F129 HydrophobicContact CZ3-CG 3.99Å; W109-F129 HydrophobicContact CZ3-CZ 4.39Å
110	L	70.7	Confident	70.7	Confident	89 Å²	89	90.2 Å²	90.2	47%	0.466	46%	0.46	S	S	.	.	H	α-helix	trans	-57.5	-41.4	176.4	-81.3	170.5	0	0	0	111.4	L106 S107 L113 S114	L106-L110 WeakPolarHBondContact O-CB 3.07Å; L106-L110 WeakPolarHBondContact O-CG 3.35Å; L106-L110 PolarHBondContact O-N 3.5Å; S107-L110 PolarHBondContact O-N 2.92Å; L110-L113 PolarHBondContact O-N 2.87Å; L110-S114 VanDerWaalsContact O-CB 3.29Å; L110-S114 WeakPolarHBondContact O-CB 3.22Å; L110-S114 PolarHBondContact O-N 3.42Å; L110-S114 PolarHBondContact O-OG 3.04Å
111	N	76.6	Confident	72.1	Confident	91 Å²	91	89.6 Å²	89.6	49%	0.487	46%	0.457	S	S	.	.	H	α-helix	trans	-62.9	-47.4	174.9	-72.4	-16.9	0	0	0	110.8	S107 K108 W109 L113 S114 Y115	S107-N111 WeakPolarHBondContact O-CB 3.38Å; S107-N111 VanDerWaalsContact O-CG 3.24Å; S107-N111 PolarHBondContact O-N 3.39Å; S107-N111 PolarHBondContact O-ND2 3.19Å; K108-N111 PolarHBondContact O-N 3.26Å; W109-N111 VanDerWaalsContact C-N 3.27Å; W109-N111 PolarHBondContact O-N 3.33Å; N111-L113 VanDerWaalsContact C-N 3.3Å; N111-L113 PolarHBondContact O-N 2.92Å; N111-S114 PolarHBondContact O-N 3.25Å; N111-Y115 HydrophobicContact CB-CE2 4.46Å; N111-Y115 WeakPolarHBondContact O-CD2 3.33Å; N111-Y115 PolarHBondContact O-N 2.94Å; N111-Y115 VanDerWaalsContact O-N 3.14Å
112	Q	76.4	Confident	73	Confident	98 Å²	98	89.9 Å²	89.9	46%	0.458	46%	0.455	S	S	.	.	H	α-helix	trans	-61.1	-38.9	178.2	-74.3	179.1	-11.7	0	0	112.7	K108 W109 S116 L125	K108-Q112 WeakPolarHBondContact O-CG 3.06Å; K108-Q112 PolarHBondContact O-N 3.48Å; W109-Q112 WeakPolarHBondContact O-CB 3.23Å; W109-Q112 PolarHBondContact O-N 2.78Å; Q112-S116 VanDerWaalsContact O-CB 3.23Å; Q112-S116 WeakPolarHBondContact O-CB 3.42Å; Q112-S116 PolarHBondContact O-N 2.77Å; Q112-L125 HydrophobicContact CB-CD1 3.91Å; Q112-L125 HydrophobicContact CB-CD2 4.32Å
113	L	73.5	Confident	74.1	Confident	48 Å²	48	93.7 Å²	93.7	25%	0.251	47%	0.474	S	S	.	.	H	α-helix	trans	-67.1	-48.5	176.4	-164.8	95.7	0	0	0	111	W109 L110 N111 Y115 S116 I122 L125	W109-L113 HydrophobicContact CH2-CD1 4.04Å; W109-L113 HydrophobicContact CH2-CD2 3.9Å; W109-L113 HydrophobicContact CH2-CG 4.41Å; W109-L113 HydrophobicContact CZ2-CD1 3.72Å; W109-L113 HydrophobicContact CZ2-CD2 4.43Å; W109-L113 HydrophobicContact CZ2-CG 4.48Å; W109-L113 HydrophobicContact CZ3-CD2 4.31Å; W109-L113 PolarHBondContact O-N 3.25Å; L110-L113 PolarHBondContact O-N 2.87Å; N111-L113 VanDerWaalsContact C-N 3.3Å; N111-L113 PolarHBondContact O-N 2.92Å; L113-Y115 PolarHBondContact O-N 3.05Å; L113-S116 PolarHBondContact O-N 3.11Å; L113-S116 VanDerWaalsContact O-N 3.13Å; L113-I122 HydrophobicContact CD1-CG2 4.25Å; L113-L125 HydrophobicContact CB-CD1 4.47Å; L113-L125 HydrophobicContact CD1-CB 3.91Å; L113-L125 HydrophobicContact CD1-CD1 4.39Å
114	S	76.4	Confident	75.1	Confident	88 Å²	88	88.4 Å²	88.4	62%	0.615	46%	0.46	S	S	*	.	H	α-helix	trans	-60.7	-32.8	-176.8	-58.1	0	0	0	0	113	L110 N111	L110-S114 VanDerWaalsContact O-CB 3.29Å; L110-S114 WeakPolarHBondContact O-CB 3.22Å; L110-S114 PolarHBondContact O-N 3.42Å; L110-S114 PolarHBondContact O-OG 3.04Å; N111-S114 PolarHBondContact O-N 3.25Å
115	Y	80	Confident	75.9	Confident	194 Å²	194	84.9 Å²	84.9	76%	0.761	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	1.5	179.9	-60.9	-63.7	0	0	0	113.8	N111 L113	N111-Y115 HydrophobicContact CB-CE2 4.46Å; N111-Y115 WeakPolarHBondContact O-CD2 3.33Å; N111-Y115 PolarHBondContact O-N 2.94Å; N111-Y115 VanDerWaalsContact O-N 3.14Å; L113-Y115 PolarHBondContact O-N 3.05Å
116	S	78.4	Confident	76.4	Confident	15 Å²	15	83.8 Å²	83.8	11%	0.105	44%	0.439	C	S	.	.			trans	-86.5	122.2	178.6	-172.9	0	0	0	0	110.5	Q112 L113 N118 K121 I122	Q112-S116 VanDerWaalsContact O-CB 3.23Å; Q112-S116 WeakPolarHBondContact O-CB 3.42Å; Q112-S116 PolarHBondContact O-N 2.77Å; L113-S116 PolarHBondContact O-N 3.11Å; L113-S116 VanDerWaalsContact O-N 3.13Å; S116-N118 PolarHBondContact OG-O 3.39Å; S116-K121 WeakPolarHBondContact OG-CD 3.44Å; S116-I122 WeakPolarHBondContact O-CD1 3.19Å
117	T	84.1	Confident	77	Confident	143 Å²	143	85.6 Å²	85.6	88%	0.877	45%	0.446	S	S	*	.			trans	-97.3	-12	167.6	54.2	0	0	0	0	112.5	L119	T117-L119 PolarHBondContact O-N 2.93Å
118	N	88.9	Confident	77.4	Confident	90 Å²	90	87.7 Å²	87.7	48%	0.481	45%	0.45	S	S	.	.			trans	-81.5	115.8	-179.7	-178.4	-44	0	0	0	110.2	S116 T120 K121 I122	S116-N118 PolarHBondContact OG-O 3.39Å; N118-T120 PolarHBondContact O-N 3.22Å; N118-T120 WeakPolarHBondContact OD1-CB 3.47Å; N118-T120 PolarHBondContact OD1-N 2.8Å; N118-K121 HydrophobicContact CB-CB 4.02Å; N118-K121 WeakPolarHBondContact O-CB 2.83Å; N118-K121 PolarHBondContact O-N 3.45Å; N118-K121 VanDerWaalsContact O-N 3.16Å; N118-K121 PolarHBondContact OD1-N 2.99Å; N118-K121 VanDerWaalsContact OD1-N 3.16Å; N118-I122 WeakPolarHBondContact O-CG1 3.38Å; N118-I122 PolarHBondContact O-N 3.41Å
119	L	82.8	Confident	77.4	Confident	123 Å²	123	84.1 Å²	84.1	64%	0.644	44%	0.435	S	S	*	.	H	α-helix	trans	-58.3	-43.5	-177.6	-175.2	64	0	0	0	113	T117 K121 I122 I123	T117-L119 PolarHBondContact O-N 2.93Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 3.25Å; L119-I122 PolarHBondContact O-N 2.79Å; L119-I123 HydrophobicContact CD1-CD1 4.48Å; L119-I123 HydrophobicContact CG-CD1 4.11Å; L119-I123 WeakPolarHBondContact O-CG1 2.97Å; L119-I123 PolarHBondContact O-N 2.98Å
120	T	85.3	Confident	77.3	Confident	109 Å²	109	86 Å²	86	67%	0.669	45%	0.45	S	S	*	.	H	α-helix	trans	-61.7	-40.2	177.8	-52.3	0	0	0	0	111.4	N118 I123 N124	N118-T120 PolarHBondContact O-N 3.22Å; N118-T120 WeakPolarHBondContact OD1-CB 3.47Å; N118-T120 PolarHBondContact OD1-N 2.8Å; T120-I123 PolarHBondContact O-N 2.79Å; T120-N124 PolarHBondContact O-N 3.02Å; T120-N124 VanDerWaalsContact O-N 3.09Å
121	K	81.2	Confident	77.2	Confident	103 Å²	103	86.1 Å²	86.1	45%	0.448	45%	0.448	S	S	.	.	H	α-helix	trans	-66.6	-40.2	175.9	-175.8	175.9	175.9	-173.8	0	111.7	S116 N118 L119 N124 L125	S116-K121 WeakPolarHBondContact OG-CD 3.44Å; N118-K121 HydrophobicContact CB-CB 4.02Å; N118-K121 WeakPolarHBondContact O-CB 2.83Å; N118-K121 PolarHBondContact O-N 3.45Å; N118-K121 VanDerWaalsContact O-N 3.16Å; N118-K121 PolarHBondContact OD1-N 2.99Å; N118-K121 VanDerWaalsContact OD1-N 3.16Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 3.25Å; K121-N124 PolarHBondContact O-N 3.41Å; K121-L125 HydrophobicContact CG-CD1 4.07Å; K121-L125 HydrophobicContact CG-CG 4.47Å; K121-L125 WeakPolarHBondContact O-CB 3.25Å; K121-L125 VanDerWaalsContact O-CG 3.25Å; K121-L125 WeakPolarHBondContact O-CG 2.99Å; K121-L125 PolarHBondContact O-N 2.71Å
122	I	75.5	Confident	76.8	Confident	54 Å²	54	83 Å²	83	28%	0.277	43%	0.431	S	S	.	.	H	α-helix	trans	-61.2	-44.9	175.7	-66.8	163.3	0	0	0	110.7	L113 S116 N118 L119 L125 T126	L113-I122 HydrophobicContact CD1-CG2 4.25Å; S116-I122 WeakPolarHBondContact O-CD1 3.19Å; N118-I122 WeakPolarHBondContact O-CG1 3.38Å; N118-I122 PolarHBondContact O-N 3.41Å; L119-I122 PolarHBondContact O-N 2.79Å; I122-L125 PolarHBondContact O-N 2.83Å; I122-T126 WeakPolarHBondContact O-CB 3.4Å; I122-T126 PolarHBondContact O-N 2.95Å; I122-T126 PolarHBondContact O-OG1 3.03Å
123	I	79.1	Confident	76.2	Confident	98 Å²	98	82.3 Å²	82.3	50%	0.503	43%	0.43	S	S	.	.	H	α-helix	trans	-61.6	-50.1	179.2	-68.2	167	0	0	0	110.7	L119 T120 L125 T126 E127	L119-I123 HydrophobicContact CD1-CD1 4.48Å; L119-I123 HydrophobicContact CG-CD1 4.11Å; L119-I123 WeakPolarHBondContact O-CG1 2.97Å; L119-I123 PolarHBondContact O-N 2.98Å; T120-I123 PolarHBondContact O-N 2.79Å; I123-L125 VanDerWaalsContact C-N 3.34Å; I123-L125 PolarHBondContact O-N 3.41Å; I123-T126 WeakPolarHBondContact O-CB 3.28Å; I123-T126 PolarHBondContact O-N 2.91Å; I123-T126 VanDerWaalsContact O-N 3.11Å; I123-E127 PolarHBondContact O-N 3.2Å
124	N	77.6	Confident	75.8	Confident	80 Å²	80	84.9 Å²	84.9	43%	0.428	44%	0.443	S	S	.	.	H	α-helix	trans	-61.4	-41.9	178.9	-173.6	-3.8	0	0	0	111.9	T120 K121 T126 E127 Q128	T120-N124 PolarHBondContact O-N 3.02Å; T120-N124 VanDerWaalsContact O-N 3.09Å; K121-N124 PolarHBondContact O-N 3.41Å; N124-T126 VanDerWaalsContact C-N 3.33Å; N124-T126 PolarHBondContact O-N 3.14Å; N124-E127 PolarHBondContact O-N 3.33Å; N124-Q128 WeakPolarHBondContact O-CG 3.26Å; N124-Q128 PolarHBondContact O-N 3.24Å; N124-Q128 PolarHBondContact OD1-NE2 2.88Å
125	L	74.1	Confident	75.1	Confident	8 Å²	8	84.9 Å²	84.9	4%	0.042	44%	0.436	C	S	.	.	H	α-helix	trans	-60.5	-44.4	173.9	-74.4	172.7	0	0	0	111.1	W109 Q112 L113 K121 I122 I123 E127 Q128 F129	W109-L125 HydrophobicContact CZ2-CB 4.45Å; W109-L125 VanDerWaalsContact NE1-C 3.29Å; W109-L125 PolarHBondContact NE1-O 2.78Å; Q112-L125 HydrophobicContact CB-CD1 3.91Å; Q112-L125 HydrophobicContact CB-CD2 4.32Å; L113-L125 HydrophobicContact CB-CD1 4.47Å; L113-L125 HydrophobicContact CD1-CB 3.91Å; L113-L125 HydrophobicContact CD1-CD1 4.39Å; K121-L125 HydrophobicContact CG-CD1 4.07Å; K121-L125 HydrophobicContact CG-CG 4.47Å; K121-L125 WeakPolarHBondContact O-CB 3.25Å; K121-L125 VanDerWaalsContact O-CG 3.25Å; K121-L125 WeakPolarHBondContact O-CG 2.99Å; K121-L125 PolarHBondContact O-N 2.71Å; I122-L125 PolarHBondContact O-N 2.83Å; I123-L125 VanDerWaalsContact C-N 3.34Å; I123-L125 PolarHBondContact O-N 3.41Å; L125-E127 VanDerWaalsContact C-N 3.34Å; L125-E127 PolarHBondContact O-N 3.44Å; L125-Q128 PolarHBondContact O-N 3.39Å; L125-F129 PolarHBondContact O-N 3.36Å
126	T	73	Confident	74.2	Confident	64 Å²	64	78.2 Å²	78.2	39%	0.393	41%	0.413	S	S	.	.	H	α-helix	trans	-59.1	-45.2	177.8	-55.1	0	0	0	0	111.6	I122 I123 N124 F129 T130	I122-T126 WeakPolarHBondContact O-CB 3.4Å; I122-T126 PolarHBondContact O-N 2.95Å; I122-T126 PolarHBondContact O-OG1 3.03Å; I123-T126 WeakPolarHBondContact O-CB 3.28Å; I123-T126 PolarHBondContact O-N 2.91Å; I123-T126 VanDerWaalsContact O-N 3.11Å; N124-T126 VanDerWaalsContact C-N 3.33Å; N124-T126 PolarHBondContact O-N 3.14Å; T126-F129 PolarHBondContact O-N 3.3Å; T126-T130 PolarHBondContact O-N 2.77Å; T126-T130 PolarHBondContact O-OG1 3.09Å
127	E	74.3	Confident	73.4	Confident	85 Å²	85	79.6 Å²	79.6	40%	0.397	43%	0.425	S	S	.	.	H	α-helix	trans	-61.1	-47.7	177.5	-175.1	173.7	-167.5	0	0	112.1	I123 N124 L125 F129 T130 H131	I123-E127 PolarHBondContact O-N 3.2Å; N124-E127 PolarHBondContact O-N 3.33Å; L125-E127 VanDerWaalsContact C-N 3.34Å; L125-E127 PolarHBondContact O-N 3.44Å; E127-F129 PolarHBondContact O-N 2.99Å; E127-T130 WeakPolarHBondContact O-CB 3.02Å; E127-T130 PolarHBondContact O-N 3.12Å; E127-H131 PolarHBondContact O-CD2 3.35Å; E127-H131 PolarHBondContact O-N 3.14Å
128	Q	73.4	Confident	72.4	Confident	100 Å²	100	75.8 Å²	75.8	47%	0.467	40%	0.395	S	S	.	.	H	α-helix	trans	-58.6	-37.1	176.3	-71.1	175.3	23.9	0	0	112.7	N124 L125 H131 L132	N124-Q128 WeakPolarHBondContact O-CG 3.26Å; N124-Q128 PolarHBondContact O-N 3.24Å; N124-Q128 PolarHBondContact OD1-NE2 2.88Å; L125-Q128 PolarHBondContact O-N 3.39Å; Q128-H131 PolarHBondContact O-N 2.82Å; Q128-L132 PolarHBondContact O-N 2.89Å
129	F	73	Confident	71.2	Confident	57 Å²	57	74.6 Å²	74.6	25%	0.25	39%	0.387	C	S	.	.	H	α-helix	trans	-71.2	-40.5	177.5	175.6	-102.1	0	0	0	112.5	L106 W109 L125 T126 E127 H131 L132 I133	L106-F129 HydrophobicContact CD2-CD2 3.74Å; L106-F129 HydrophobicContact CD2-CE2 3.34Å; W109-F129 HydrophobicContact CD2-CB 4.12Å; W109-F129 HydrophobicContact CD2-CD2 4Å; W109-F129 HydrophobicContact CD2-CG 4.32Å; W109-F129 VanDerWaalsContact CE2-CB 3.45Å; W109-F129 AromaticContact CE2-CG 3.99Å; W109-F129 AromaticContact CE3-CD2 3.77Å; W109-F129 HydrophobicContact CE3-CD2 3.77Å; W109-F129 HydrophobicContact CE3-CE2 4.18Å; W109-F129 HydrophobicContact CE3-CG 4.3Å; W109-F129 HydrophobicContact CH2-CB 3.9Å; W109-F129 AromaticContact CH2-CD1 3.96Å; W109-F129 HydrophobicContact CH2-CD1 3.96Å; W109-F129 AromaticContact CH2-CD2 3.94Å; W109-F129 HydrophobicContact CH2-CD2 3.94Å; W109-F129 HydrophobicContact CH2-CE1 4.42Å; W109-F129 HydrophobicContact CH2-CE2 4.4Å; W109-F129 AromaticContact CH2-CG 3.68Å; W109-F129 HydrophobicContact CH2-CG 3.68Å; W109-F129 HydrophobicContact CZ2-CB 3.33Å; W109-F129 HydrophobicContact CZ2-CD1 4.22Å; W109-F129 HydrophobicContact CZ2-CD2 4.14Å; W109-F129 AromaticContact CZ2-CG 3.68Å; W109-F129 HydrophobicContact CZ2-CG 3.68Å; W109-F129 HydrophobicContact CZ3-CB 4.47Å; W109-F129 HydrophobicContact CZ3-CD1 4.44Å; W109-F129 AromaticContact CZ3-CD2 3.74Å; W109-F129 HydrophobicContact CZ3-CD2 3.74Å; W109-F129 AromaticContact CZ3-CE2 3.95Å; W109-F129 HydrophobicContact CZ3-CE2 3.95Å; W109-F129 AromaticContact CZ3-CG 3.99Å; W109-F129 HydrophobicContact CZ3-CG 3.99Å; W109-F129 HydrophobicContact CZ3-CZ 4.39Å; L125-F129 PolarHBondContact O-N 3.36Å; T126-F129 PolarHBondContact O-N 3.3Å; E127-F129 PolarHBondContact O-N 2.99Å; F129-H131 VanDerWaalsContact C-N 3.28Å; F129-H131 PolarHBondContact O-N 3.28Å; F129-L132 PolarHBondContact O-N 3.29Å; F129-I133 HydrophobicContact CD1-CD1 3.77Å; F129-I133 HydrophobicContact CD1-CG1 4.48Å; F129-I133 HydrophobicContact CE1-CD1 3.2Å; F129-I133 HydrophobicContact CE1-CG1 4.17Å; F129-I133 HydrophobicContact CE2-CD1 4.22Å; F129-I133 HydrophobicContact CE2-CG1 4.44Å; F129-I133 HydrophobicContact CG-CD1 4.48Å; F129-I133 HydrophobicContact CZ-CD1 3.47Å; F129-I133 VanDerWaalsContact CZ-CD1 3.47Å; F129-I133 HydrophobicContact CZ-CG1 4.15Å; F129-I133 WeakPolarHBondContact O-CG1 3.24Å; F129-I133 PolarHBondContact O-N 3.32Å
130	T	69.2	Low	70.1	Confident	70 Å²	70	77 Å²	77	43%	0.429	39%	0.388	S	S	.	.	H	α-helix	trans	-57.1	-45.2	171.5	-61	0	0	0	0	110.7	T126 E127 L132 I133 L134	T126-T130 PolarHBondContact O-N 2.77Å; T126-T130 PolarHBondContact O-OG1 3.09Å; E127-T130 WeakPolarHBondContact O-CB 3.02Å; E127-T130 PolarHBondContact O-N 3.12Å; T130-L132 PolarHBondContact O-N 3.37Å; T130-I133 PolarHBondContact O-N 3.06Å; T130-L134 HydrophobicContact CG2-CD1 4.14Å; T130-L134 VanDerWaalsContact O-CG 3.31Å; T130-L134 WeakPolarHBondContact O-CG 3.31Å; T130-L134 PolarHBondContact O-N 3.1Å
131	H	68.6	Low	68.9	Low	90 Å²	90	73.3 Å²	73.3	42%	0.417	36%	0.364	S	S	.	.	H	α-helix	trans	-60.3	-45.5	174.7	-73.9	-61.6	0	0	0	112.7	E127 Q128 F129 I133 L134 D135	E127-H131 PolarHBondContact O-CD2 3.35Å; E127-H131 PolarHBondContact O-N 3.14Å; Q128-H131 PolarHBondContact O-N 2.82Å; F129-H131 VanDerWaalsContact C-N 3.28Å; F129-H131 PolarHBondContact O-N 3.28Å; H131-I133 VanDerWaalsContact C-N 3.32Å; H131-I133 PolarHBondContact O-N 2.91Å; H131-L134 PolarHBondContact O-N 3.04Å; H131-L134 VanDerWaalsContact O-N 3.15Å; H131-D135 VanDerWaalsContact O-CG 3.31Å; H131-D135 PolarHBondContact O-N 2.81Å
132	L	69.2	Low	67.9	Low	27 Å²	27	69.3 Å²	69.3	14%	0.141	35%	0.346	C	S	.	.	H	α-helix	trans	-59.9	-40.9	177.1	-179.6	65.1	0	0	0	112.6	I105 L106 Q128 F129 T130 L136	I105-L132 HydrophobicContact CG2-CD2 4.06Å; L106-L132 HydrophobicContact CD2-CD2 3.81Å; L106-L132 HydrophobicContact CG-CD2 3.93Å; Q128-L132 PolarHBondContact O-N 2.89Å; F129-L132 PolarHBondContact O-N 3.29Å; T130-L132 PolarHBondContact O-N 3.37Å; L132-L136 HydrophobicContact CG-CD1 4.28Å; L132-L136 WeakPolarHBondContact O-CB 3.21Å; L132-L136 WeakPolarHBondContact O-CG 3.24Å; L132-L136 PolarHBondContact O-N 3.13Å
133	I	62.9	Low	67.2	Low	83 Å²	83	69.7 Å²	69.7	43%	0.426	35%	0.348	S	S	.	.	H	α-helix	trans	-63.1	-45	175.7	-72.1	175.8	0	0	0	110.4	F129 T130 H131 L136 A137	F129-I133 HydrophobicContact CD1-CD1 3.77Å; F129-I133 HydrophobicContact CD1-CG1 4.48Å; F129-I133 HydrophobicContact CE1-CD1 3.2Å; F129-I133 HydrophobicContact CE1-CG1 4.17Å; F129-I133 HydrophobicContact CE2-CD1 4.22Å; F129-I133 HydrophobicContact CE2-CG1 4.44Å; F129-I133 HydrophobicContact CG-CD1 4.48Å; F129-I133 HydrophobicContact CZ-CD1 3.47Å; F129-I133 VanDerWaalsContact CZ-CD1 3.47Å; F129-I133 HydrophobicContact CZ-CG1 4.15Å; F129-I133 WeakPolarHBondContact O-CG1 3.24Å; F129-I133 PolarHBondContact O-N 3.32Å; T130-I133 PolarHBondContact O-N 3.06Å; H131-I133 VanDerWaalsContact C-N 3.32Å; H131-I133 PolarHBondContact O-N 2.91Å; I133-L136 PolarHBondContact O-N 3.26Å; I133-A137 WeakPolarHBondContact O-CB 3.39Å; I133-A137 PolarHBondContact O-N 2.73Å
134	L	64.6	Low	66.3	Low	101 Å²	101	67.8 Å²	67.8	53%	0.529	34%	0.339	S	S	.	.	H	α-helix	trans	-63.6	-43.9	179.6	-70.1	172.4	0	0	0	111.3	T130 H131 L136 A137 Y138	T130-L134 HydrophobicContact CG2-CD1 4.14Å; T130-L134 VanDerWaalsContact O-CG 3.31Å; T130-L134 WeakPolarHBondContact O-CG 3.31Å; T130-L134 PolarHBondContact O-N 3.1Å; H131-L134 PolarHBondContact O-N 3.04Å; H131-L134 VanDerWaalsContact O-N 3.15Å; L134-L136 PolarHBondContact O-N 3.43Å; L134-A137 PolarHBondContact O-N 2.95Å; L134-Y138 VanDerWaalsContact O-CB 3.28Å; L134-Y138 WeakPolarHBondContact O-CB 3.42Å; L134-Y138 PolarHBondContact O-N 3.08Å
135	D	61.9	Low	65.4	Low	89 Å²	89	64.2 Å²	64.2	48%	0.476	32%	0.319	S	S	.	.	H	α-helix	trans	-61	-44.6	175.9	-70.6	-14.1	0	0	0	111.3	H131 Y138 E139	H131-D135 VanDerWaalsContact O-CG 3.31Å; H131-D135 PolarHBondContact O-N 2.81Å; D135-Y138 PolarHBondContact O-N 3.44Å; D135-E139 WeakPolarHBondContact O-CG 3.26Å; D135-E139 PolarHBondContact O-N 2.88Å
136	L	62.4	Low	64.7	Low	53 Å²	53	64.5 Å²	64.5	28%	0.277	32%	0.321	S	S	.	.	H	α-helix	trans	-63.1	-43	176.2	-83.6	173.4	0	0	0	112.5	N102 L132 I133 L134 R140	N102-L136 HydrophobicContact CB-CD1 4.47Å; N102-L136 WeakPolarHBondContact ND2-CD2 3.08Å; L132-L136 HydrophobicContact CG-CD1 4.28Å; L132-L136 WeakPolarHBondContact O-CB 3.21Å; L132-L136 WeakPolarHBondContact O-CG 3.24Å; L132-L136 PolarHBondContact O-N 3.13Å; I133-L136 PolarHBondContact O-N 3.26Å; L134-L136 PolarHBondContact O-N 3.43Å; L136-R140 WeakPolarHBondContact O-CB 3.41Å; L136-R140 PolarHBondContact O-N 3.03Å
137	A	60.4	Low	64.1	Low	44 Å²	44	66.8 Å²	66.8	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-63.9	-43.8	176.7	0	0	0	0	0	110.7	I133 L134 R140 I141	I133-A137 WeakPolarHBondContact O-CB 3.39Å; I133-A137 PolarHBondContact O-N 2.73Å; L134-A137 PolarHBondContact O-N 2.95Å; A137-R140 PolarHBondContact O-N 2.84Å; A137-I141 VanDerWaalsContact O-CG1 3.26Å; A137-I141 WeakPolarHBondContact O-CG1 3.39Å; A137-I141 PolarHBondContact O-N 2.99Å
138	Y	62.3	Low	63.2	Low	63 Å²	63	63.3 Å²	63.3	25%	0.247	31%	0.307	C	S	.	.	H	α-helix	trans	-60.4	-48.6	176.9	178.5	-108.5	0	0	0	112.1	L134 D135 R140 I141 K142 I201 L205	L134-Y138 VanDerWaalsContact O-CB 3.28Å; L134-Y138 WeakPolarHBondContact O-CB 3.42Å; L134-Y138 PolarHBondContact O-N 3.08Å; D135-Y138 PolarHBondContact O-N 3.44Å; Y138-R140 VanDerWaalsContact C-N 3.32Å; Y138-R140 PolarHBondContact O-N 3.36Å; Y138-I141 PolarHBondContact O-N 3.24Å; Y138-K142 HydrophobicContact CD1-CD 4.42Å; Y138-K142 HydrophobicContact CE1-CD 4.1Å; Y138-K142 PolarHBondContact O-N 3.42Å; Y138-K142 WeakPolarHBondContact OH-CE 3.38Å; Y138-I201 HydrophobicContact CD2-CG2 4.27Å; Y138-I201 HydrophobicContact CE2-CG2 4.09Å; Y138-L205 HydrophobicContact CE2-CD1 3.96Å
139	E	64.2	Low	62.5	Low	65 Å²	65	59.2 Å²	59.2	30%	0.304	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-35.2	175.8	-70.2	-58.5	131.3	0	0	112.3	D135 K142 L143	D135-E139 WeakPolarHBondContact O-CG 3.26Å; D135-E139 PolarHBondContact O-N 2.88Å; E139-K142 WeakPolarHBondContact O-CB 3.45Å; E139-K142 PolarHBondContact O-N 3.46Å; E139-K142 IonicContact OE1-NZ 3.19Å; E139-K142 PolarHBondContact OE1-NZ 3.39Å; E139-L143 WeakPolarHBondContact O-CG 3.45Å; E139-L143 PolarHBondContact O-N 3.25Å
140	R	59.8	Low	61.8	Low	174 Å²	174	56.9 Å²	56.9	66%	0.657	28%	0.277	S	S	*	.	H	α-helix	trans	-65.7	-43.8	173.5	-177.1	177	177.4	179.5	-2.2	112	L136 A137 Y138 K142 L143 I144	L136-R140 WeakPolarHBondContact O-CB 3.41Å; L136-R140 PolarHBondContact O-N 3.03Å; A137-R140 PolarHBondContact O-N 2.84Å; Y138-R140 VanDerWaalsContact C-N 3.32Å; Y138-R140 PolarHBondContact O-N 3.36Å; R140-K142 VanDerWaalsContact C-N 3.32Å; R140-L143 PolarHBondContact O-N 2.9Å; R140-I144 HydrophobicContact CG-CD1 4.16Å; R140-I144 WeakPolarHBondContact O-CG1 3.44Å; R140-I144 PolarHBondContact O-N 3.03Å
141	I	59.9	Low	61.4	Low	32 Å²	32	56.9 Å²	56.9	16%	0.164	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-41.1	177.3	-65.8	166.3	0	0	0	109.9	A137 Y138 L143 I144 L145 I190 L205	A137-I141 VanDerWaalsContact O-CG1 3.26Å; A137-I141 WeakPolarHBondContact O-CG1 3.39Å; A137-I141 PolarHBondContact O-N 2.99Å; Y138-I141 PolarHBondContact O-N 3.24Å; I141-L143 VanDerWaalsContact C-N 3.34Å; I141-L143 PolarHBondContact O-N 2.88Å; I141-I144 PolarHBondContact O-N 3.31Å; I141-L145 HydrophobicContact CG2-CD1 4.15Å; I141-L145 HydrophobicContact CG2-CG 4.47Å; I141-L145 WeakPolarHBondContact O-CB 3.19Å; I141-L145 PolarHBondContact O-N 2.82Å; I141-I190 HydrophobicContact CG2-CG2 3.87Å; I141-L205 HydrophobicContact CG2-CD2 3.74Å
142	K	60.7	Low	60.9	Low	19 Å²	19	52.8 Å²	52.8	8%	0.083	25%	0.251	C	S	.	.	H	α-helix	trans	-52.1	-52.2	170.9	-81.1	178.6	176.9	168.8	0	111.3	Y138 E139 R140 I144 L145 L146 L205	Y138-K142 HydrophobicContact CD1-CD 4.42Å; Y138-K142 HydrophobicContact CE1-CD 4.1Å; Y138-K142 PolarHBondContact O-N 3.42Å; Y138-K142 WeakPolarHBondContact OH-CE 3.38Å; E139-K142 WeakPolarHBondContact O-CB 3.45Å; E139-K142 PolarHBondContact O-N 3.46Å; E139-K142 IonicContact OE1-NZ 3.19Å; E139-K142 PolarHBondContact OE1-NZ 3.39Å; R140-K142 VanDerWaalsContact C-N 3.32Å; K142-I144 VanDerWaalsContact C-N 3.33Å; K142-I144 PolarHBondContact O-N 3.46Å; K142-L145 WeakPolarHBondContact O-CB 3.31Å; K142-L145 PolarHBondContact O-N 3.49Å; K142-L146 WeakPolarHBondContact O-CB 3.37Å; K142-L146 PolarHBondContact O-N 3.33Å; K142-L205 HydrophobicContact CB-CD1 4.32Å; K142-L205 HydrophobicContact CD-CD1 4.35Å; K142-L205 HydrophobicContact CG-CD1 3.26Å
143	L	60.9	Low	60.3	Low	62 Å²	62	51.5 Å²	51.5	33%	0.325	24%	0.244	S	C	.	.	H	α-helix	trans	-60.8	-40.4	-179.4	-71.8	169	0	0	0	112.9	I95 E139 R140 I141 L146 Y147 M236	I95-L143 HydrophobicContact CD1-CD1 3.84Å; I95-L143 HydrophobicContact CD1-CD2 3.68Å; I95-L143 HydrophobicContact CD1-CG 4.43Å; I95-L143 HydrophobicContact CG1-CD1 4.46Å; I95-L143 HydrophobicContact CG2-CD1 4.45Å; E139-L143 WeakPolarHBondContact O-CG 3.45Å; E139-L143 PolarHBondContact O-N 3.25Å; R140-L143 PolarHBondContact O-N 2.9Å; I141-L143 VanDerWaalsContact C-N 3.34Å; I141-L143 PolarHBondContact O-N 2.88Å; L143-L146 HydrophobicContact CD2-CD2 4.19Å; L143-L146 WeakPolarHBondContact O-CB 3.42Å; L143-L146 PolarHBondContact O-N 3.32Å; L143-Y147 WeakPolarHBondContact O-CB 3.32Å; L143-Y147 PolarHBondContact O-N 2.73Å; L143-M236 HydrophobicContact CD2-CE 4.42Å
144	I	60.6	Low	60.1	Low	58 Å²	58	51.9 Å²	51.9	30%	0.297	24%	0.242	S	C	.	.	H	α-helix	trans	-64.6	-48.4	176.3	-64.8	167.2	0	0	0	110.1	R140 I141 K142 L146 Y147 E148 I190	R140-I144 HydrophobicContact CG-CD1 4.16Å; R140-I144 WeakPolarHBondContact O-CG1 3.44Å; R140-I144 PolarHBondContact O-N 3.03Å; I141-I144 PolarHBondContact O-N 3.31Å; K142-I144 VanDerWaalsContact C-N 3.33Å; K142-I144 PolarHBondContact O-N 3.46Å; I144-L146 VanDerWaalsContact C-N 3.27Å; I144-L146 PolarHBondContact O-N 2.84Å; I144-Y147 PolarHBondContact O-N 3.38Å; I144-E148 HydrophobicContact CG2-CG 4.49Å; I144-E148 WeakPolarHBondContact O-CB 3.43Å; I144-E148 WeakPolarHBondContact O-CG 3.37Å; I144-E148 PolarHBondContact O-N 2.77Å; I144-I190 HydrophobicContact CB-CD1 4.37Å; I144-I190 HydrophobicContact CG2-CD1 3.71Å; I144-I190 HydrophobicContact CG2-CG1 4.35Å
145	L	57.7	Low	59.8	Low	4 Å²	4	50.6 Å²	50.6	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-56.1	-44.6	175.9	-84.7	170.1	0	0	0	111.7	I141 K142 E148 F149 L185 I190 L205	I141-L145 HydrophobicContact CG2-CD1 4.15Å; I141-L145 HydrophobicContact CG2-CG 4.47Å; I141-L145 WeakPolarHBondContact O-CB 3.19Å; I141-L145 PolarHBondContact O-N 2.82Å; K142-L145 WeakPolarHBondContact O-CB 3.31Å; K142-L145 PolarHBondContact O-N 3.49Å; L145-E148 PolarHBondContact O-N 2.99Å; L145-F149 WeakPolarHBondContact O-CB 3.24Å; L145-F149 PolarHBondContact O-N 3.31Å; L145-L185 HydrophobicContact CD2-CB 4.45Å; L145-L185 HydrophobicContact CD2-CD1 4.2Å; L145-L185 HydrophobicContact CD2-CD2 4.3Å; L145-I190 HydrophobicContact CB-CD1 4.22Å; L145-I190 HydrophobicContact CD2-CD1 3.39Å; L145-I190 HydrophobicContact CD2-CG1 4.44Å; L145-I190 HydrophobicContact CG-CD1 3.42Å; L145-I190 VanDerWaalsContact CG-CD1 3.42Å; L145-L205 HydrophobicContact CD1-CD1 3.96Å; L145-L205 HydrophobicContact CD1-CD2 3.22Å; L145-L205 HydrophobicContact CD1-CG 3.34Å
146	L	59.6	Low	59.3	Low	14 Å²	14	48 Å²	48	7%	0.073	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-47.6	-179	-163.3	77	0	0	0	111.6	K142 L143 I144 F149 Q150 V209 F229 H233 M236	K142-L146 WeakPolarHBondContact O-CB 3.37Å; K142-L146 PolarHBondContact O-N 3.33Å; L143-L146 HydrophobicContact CD2-CD2 4.19Å; L143-L146 WeakPolarHBondContact O-CB 3.42Å; L143-L146 PolarHBondContact O-N 3.32Å; I144-L146 VanDerWaalsContact C-N 3.27Å; I144-L146 PolarHBondContact O-N 2.84Å; L146-F149 PolarHBondContact O-N 2.8Å; L146-Q150 VanDerWaalsContact O-CB 3.29Å; L146-Q150 WeakPolarHBondContact O-CB 3.03Å; L146-Q150 PolarHBondContact O-N 3.5Å; L146-V209 HydrophobicContact CD1-CG1 4.5Å; L146-F229 HydrophobicContact CD1-CE1 4.42Å; L146-F229 HydrophobicContact CD1-CE2 3.45Å; L146-F229 VanDerWaalsContact CD1-CE2 3.45Å; L146-F229 HydrophobicContact CD1-CZ 3.26Å; L146-F229 HydrophobicContact CG-CE2 4.45Å; L146-F229 HydrophobicContact CG-CZ 3.98Å; L146-H233 WeakPolarHBondContact CD2-CD2 3.27Å; L146-H233 VanDerWaalsContact CD2-NE2 3.27Å; L146-H233 WeakPolarHBondContact CD2-NE2 3.18Å; L146-M236 HydrophobicContact CD2-CE 4.48Å
147	Y	60.3	Low	58.7	Low	113 Å²	113	48 Å²	48	44%	0.443	22%	0.22	S	C	.	.	H	α-helix	trans	-61.6	-45.3	176.2	174.1	-115.2	0	0	0	112.1	L143 I144 Q150 R151 L237	L143-Y147 WeakPolarHBondContact O-CB 3.32Å; L143-Y147 PolarHBondContact O-N 2.73Å; I144-Y147 PolarHBondContact O-N 3.38Å; Y147-Q150 WeakPolarHBondContact O-CB 3.28Å; Y147-Q150 PolarHBondContact O-N 2.95Å; Y147-R151 PolarHBondContact O-N 3.48Å; Y147-L237 HydrophobicContact CD2-CD1 3.12Å; Y147-L237 HydrophobicContact CD2-CG 4.42Å; Y147-L237 HydrophobicContact CE2-CD1 3.5Å; Y147-L237 HydrophobicContact CG-CD1 4.1Å
148	E	55.7	Low	58.4	Low	12 Å²	12	51.3 Å²	51.3	6%	0.056	23%	0.231	C	C	.	.	H	α-helix	trans	-69.4	-40.9	179.9	-72.3	-60.7	148.3	0	0	111.8	I144 L145 Q150 R151 I152 L185	I144-E148 HydrophobicContact CG2-CG 4.49Å; I144-E148 WeakPolarHBondContact O-CB 3.43Å; I144-E148 WeakPolarHBondContact O-CG 3.37Å; I144-E148 PolarHBondContact O-N 2.77Å; L145-E148 PolarHBondContact O-N 2.99Å; E148-Q150 VanDerWaalsContact C-N 3.29Å; E148-Q150 PolarHBondContact O-N 3.42Å; E148-R151 VanDerWaalsContact CD-CZ 3.46Å; E148-R151 VanDerWaalsContact CD-NH1 3.26Å; E148-R151 WeakPolarHBondContact O-CB 3.5Å; E148-R151 PolarHBondContact O-N 2.69Å; E148-R151 VanDerWaalsContact O-N 3.14Å; E148-R151 IonicContact OE1-CZ 2.76Å; E148-R151 IonicContact OE1-NH1 3.89Å; E148-R151 PolarHBondContact OE1-NH1 3.31Å; E148-R151 IonicContact OE1-NH2 2.8Å; E148-R151 IonicContact OE2-CZ 2.97Å; E148-R151 IonicContact OE2-NE 3.42Å; E148-R151 PolarHBondContact OE2-NE 3.21Å; E148-R151 VanDerWaalsContact OE2-NE 3.14Å; E148-R151 IonicContact OE2-NH1 3.14Å; E148-R151 PolarHBondContact OE2-NH1 3.49Å; E148-R151 IonicContact OE2-NH2 2.75Å; E148-R151 PolarHBondContact OE2-NH2 3.26Å; E148-I152 WeakPolarHBondContact O-CB 3.24Å; E148-I152 VanDerWaalsContact O-CG1 3.26Å; E148-I152 WeakPolarHBondContact O-CG1 3.44Å; E148-I152 PolarHBondContact O-N 2.82Å; E148-L185 HydrophobicContact CB-CD2 3.64Å
149	F	59.1	Low	57.7	Low	14 Å²	14	51.7 Å²	51.7	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-57.6	-46.3	171.7	-165.3	-72.9	0	0	0	109.6	L145 L146 R151 I152 L153 V181 L185 V209 I213 F221 F229	L145-F149 WeakPolarHBondContact O-CB 3.24Å; L145-F149 PolarHBondContact O-N 3.31Å; L146-F149 PolarHBondContact O-N 2.8Å; F149-R151 PolarHBondContact O-N 3.05Å; F149-I152 PolarHBondContact O-N 3.49Å; F149-L153 HydrophobicContact CD1-CD1 3.55Å; F149-L153 HydrophobicContact CD1-CD2 4.33Å; F149-L153 HydrophobicContact CD1-CG 3.59Å; F149-L153 HydrophobicContact CE1-CD1 3.51Å; F149-L153 HydrophobicContact CE1-CD2 3.78Å; F149-L153 HydrophobicContact CE1-CG 3.53Å; F149-L153 WeakPolarHBondContact O-CB 3.29Å; F149-L153 VanDerWaalsContact O-CG 3.3Å; F149-L153 WeakPolarHBondContact O-CG 3.38Å; F149-L153 PolarHBondContact O-N 2.79Å; F149-V181 HydrophobicContact CD2-CG1 3.31Å; F149-V181 HydrophobicContact CE1-CG1 4.39Å; F149-V181 HydrophobicContact CE2-CB 4.08Å; F149-V181 HydrophobicContact CE2-CG1 3.11Å; F149-V181 HydrophobicContact CG-CG1 4.04Å; F149-V181 HydrophobicContact CZ-CB 4.41Å; F149-V181 HydrophobicContact CZ-CG1 3.7Å; F149-V181 HydrophobicContact CZ-CG2 4.4Å; F149-L185 HydrophobicContact CB-CD1 4.32Å; F149-L185 HydrophobicContact CD2-CD1 3.65Å; F149-L185 HydrophobicContact CE2-CD1 4.47Å; F149-L185 HydrophobicContact CG-CD1 4.43Å; F149-V209 HydrophobicContact CD2-CG1 4.04Å; F149-V209 HydrophobicContact CE2-CG1 4.4Å; F149-V209 HydrophobicContact CG-CG1 4.32Å; F149-I213 HydrophobicContact CD1-CD1 3.8Å; F149-I213 HydrophobicContact CE1-CD1 3.22Å; F149-I213 HydrophobicContact CE2-CD1 4.26Å; F149-I213 HydrophobicContact CZ-CD1 3.52Å; F149-F221 AromaticContact CZ-CE2 4Å; F149-F221 HydrophobicContact CZ-CE2 4Å; F149-F221 HydrophobicContact CZ-CZ 4.35Å; F149-F229 HydrophobicContact CD1-CE1 4.17Å
150	Q	57.1	Low	56.7	Low	8 Å²	8	56.3 Å²	56.3	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-59.7	-44	173.5	157.7	156	45.7	0	0	112.6	L146 Y147 E148 I152 L153 K154 L230 H233 E234	L146-Q150 VanDerWaalsContact O-CB 3.29Å; L146-Q150 WeakPolarHBondContact O-CB 3.03Å; L146-Q150 PolarHBondContact O-N 3.5Å; Y147-Q150 WeakPolarHBondContact O-CB 3.28Å; Y147-Q150 PolarHBondContact O-N 2.95Å; E148-Q150 VanDerWaalsContact C-N 3.29Å; E148-Q150 PolarHBondContact O-N 3.42Å; Q150-I152 VanDerWaalsContact C-N 3.35Å; Q150-I152 PolarHBondContact O-N 3.18Å; Q150-L153 PolarHBondContact O-N 3.14Å; Q150-K154 VanDerWaalsContact O-CB 3.26Å; Q150-K154 WeakPolarHBondContact O-CB 3.41Å; Q150-K154 PolarHBondContact O-N 2.73Å; Q150-L230 HydrophobicContact CB-CD2 3.69Å; Q150-L230 HydrophobicContact CG-CD2 3.39Å; Q150-L230 PolarHBondContact NE2-O 2.95Å; Q150-H233 VanDerWaalsContact OE1-CB 3.29Å; Q150-E234 VanDerWaalsContact NE2-CG 3.29Å
151	R	60.7	Low	56	Low	70 Å²	70	52.1 Å²	52.1	26%	0.264	26%	0.256	S	S	.	.	H	α-helix	trans	-61.2	-44.8	176.5	-170.6	-179.1	80.2	-164.7	6.8	111.3	Y147 E148 F149 K154 N155 E188	Y147-R151 PolarHBondContact O-N 3.48Å; E148-R151 VanDerWaalsContact CD-CZ 3.46Å; E148-R151 VanDerWaalsContact CD-NH1 3.26Å; E148-R151 WeakPolarHBondContact O-CB 3.5Å; E148-R151 PolarHBondContact O-N 2.69Å; E148-R151 VanDerWaalsContact O-N 3.14Å; E148-R151 IonicContact OE1-CZ 2.76Å; E148-R151 IonicContact OE1-NH1 3.89Å; E148-R151 PolarHBondContact OE1-NH1 3.31Å; E148-R151 IonicContact OE1-NH2 2.8Å; E148-R151 IonicContact OE2-CZ 2.97Å; E148-R151 IonicContact OE2-NE 3.42Å; E148-R151 PolarHBondContact OE2-NE 3.21Å; E148-R151 VanDerWaalsContact OE2-NE 3.14Å; E148-R151 IonicContact OE2-NH1 3.14Å; E148-R151 PolarHBondContact OE2-NH1 3.49Å; E148-R151 IonicContact OE2-NH2 2.75Å; E148-R151 PolarHBondContact OE2-NH2 3.26Å; F149-R151 PolarHBondContact O-N 3.05Å; R151-K154 PolarHBondContact O-N 3.05Å; R151-N155 WeakPolarHBondContact O-CB 3.43Å; R151-N155 PolarHBondContact O-N 2.74Å; R151-N155 PolarHBondContact O-ND2 3.46Å; R151-E188 IonicContact NH2-OE2 2.76Å; R151-E188 PolarHBondContact NH2-OE2 2.96Å
152	I	58.9	Low	55	Low	4 Å²	4	54 Å²	54	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-48.6	176.7	-67.7	164.5	0	0	0	110	E148 F149 Q150 K154 N155 I156 V181 K184 L185	E148-I152 WeakPolarHBondContact O-CB 3.24Å; E148-I152 VanDerWaalsContact O-CG1 3.26Å; E148-I152 WeakPolarHBondContact O-CG1 3.44Å; E148-I152 PolarHBondContact O-N 2.82Å; F149-I152 PolarHBondContact O-N 3.49Å; Q150-I152 VanDerWaalsContact C-N 3.35Å; Q150-I152 PolarHBondContact O-N 3.18Å; I152-K154 PolarHBondContact O-N 2.85Å; I152-N155 WeakPolarHBondContact O-CB 3.35Å; I152-N155 PolarHBondContact O-N 2.8Å; I152-I156 HydrophobicContact CG2-CD1 3.76Å; I152-I156 HydrophobicContact CG2-CG1 4.45Å; I152-I156 VanDerWaalsContact O-CG1 3.28Å; I152-I156 WeakPolarHBondContact O-CG1 3.48Å; I152-I156 PolarHBondContact O-N 2.96Å; I152-V181 HydrophobicContact CG2-CG2 4.46Å; I152-K184 HydrophobicContact CD1-CB 3.94Å; I152-K184 HydrophobicContact CD1-CD 4.08Å; I152-K184 HydrophobicContact CD1-CG 3.73Å; I152-K184 HydrophobicContact CG1-CD 3.91Å; I152-K184 HydrophobicContact CG1-CG 4.1Å; I152-K184 HydrophobicContact CG2-CD 4.21Å; I152-L185 HydrophobicContact CD1-CD2 3.66Å; I152-L185 HydrophobicContact CD1-CG 3.81Å
153	L	56.6	Low	53.9	Low	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57	-49.1	175.5	-78.2	-176.4	0	0	0	111.2	F149 Q150 N155 I156 F157 W177 L226 F229 L230	F149-L153 HydrophobicContact CD1-CD1 3.55Å; F149-L153 HydrophobicContact CD1-CD2 4.33Å; F149-L153 HydrophobicContact CD1-CG 3.59Å; F149-L153 HydrophobicContact CE1-CD1 3.51Å; F149-L153 HydrophobicContact CE1-CD2 3.78Å; F149-L153 HydrophobicContact CE1-CG 3.53Å; F149-L153 WeakPolarHBondContact O-CB 3.29Å; F149-L153 VanDerWaalsContact O-CG 3.3Å; F149-L153 WeakPolarHBondContact O-CG 3.38Å; F149-L153 PolarHBondContact O-N 2.79Å; Q150-L153 PolarHBondContact O-N 3.14Å; L153-N155 VanDerWaalsContact C-N 3.27Å; L153-N155 PolarHBondContact O-N 2.74Å; L153-I156 CarbonylContact O-C 3.52Å; L153-I156 WeakPolarHBondContact O-CA 3.27Å; L153-I156 WeakPolarHBondContact O-CB 3.28Å; L153-I156 PolarHBondContact O-N 3.28Å; L153-F157 HydrophobicContact CB-CD2 4.39Å; L153-F157 VanDerWaalsContact O-CD2 3.26Å; L153-F157 WeakPolarHBondContact O-CD2 3.34Å; L153-F157 PolarHBondContact O-N 2.69Å; L153-W177 HydrophobicContact CD2-CZ3 4.13Å; L153-L226 HydrophobicContact CD1-CD2 3.51Å; L153-L226 HydrophobicContact CD2-CD2 3.68Å; L153-L226 HydrophobicContact CG-CD2 4.21Å; L153-F229 HydrophobicContact CD1-CD1 4.14Å; L153-F229 HydrophobicContact CD1-CE1 4.31Å; L153-L230 HydrophobicContact CB-CD2 4.14Å; L153-L230 HydrophobicContact CD1-CD2 4.13Å; L153-L230 HydrophobicContact CD1-CG 4.31Å
154	K	58.4	Low	53.2	Low	90 Å²	90	63.6 Å²	63.6	39%	0.391	31%	0.313	S	S	.	.	H	α-helix	trans	-60.2	-39.6	178.7	-172.7	170.4	-171.4	160.3	0	111.2	Q150 R151 I152 I156 F157 N158 E234	Q150-K154 VanDerWaalsContact O-CB 3.26Å; Q150-K154 WeakPolarHBondContact O-CB 3.41Å; Q150-K154 PolarHBondContact O-N 2.73Å; R151-K154 PolarHBondContact O-N 3.05Å; I152-K154 PolarHBondContact O-N 2.85Å; K154-I156 VanDerWaalsContact C-N 3.33Å; K154-F157 PolarHBondContact O-N 3.48Å; K154-N158 WeakPolarHBondContact O-CB 3.29Å; K154-N158 PolarHBondContact O-N 2.76Å; K154-N158 PolarHBondContact O-ND2 2.87Å; K154-N158 PolarHBondContact O-OD1 2.87Å; K154-E234 IonicContact NZ-OE1 2.7Å; K154-E234 PolarHBondContact NZ-OE1 3.29Å
155	N	58.6	Low	52.4	Low	74 Å²	74	69 Å²	69	40%	0.396	34%	0.335	S	S	.	.	H	α-helix	trans	-63	-40.3	171.9	-71.9	-19.9	0	0	0	111.5	R151 I152 L153 I159	R151-N155 WeakPolarHBondContact O-CB 3.43Å; R151-N155 PolarHBondContact O-N 2.74Å; R151-N155 PolarHBondContact O-ND2 3.46Å; I152-N155 WeakPolarHBondContact O-CB 3.35Å; I152-N155 PolarHBondContact O-N 2.8Å; L153-N155 VanDerWaalsContact C-N 3.27Å; L153-N155 PolarHBondContact O-N 2.74Å; N155-I159 WeakPolarHBondContact O-CD1 3.06Å; N155-I159 WeakPolarHBondContact O-CG1 3.18Å; N155-I159 PolarHBondContact O-N 3.43Å
156	I	52.5	Low	51.8	Low	36 Å²	36	71.5 Å²	71.5	19%	0.185	34%	0.344	C	S	.	.	H	α-helix	trans	-69.2	-39.5	176.5	-62	164	0	0	0	111.8	I152 L153 K154 I159 W177	I152-I156 HydrophobicContact CG2-CD1 3.76Å; I152-I156 HydrophobicContact CG2-CG1 4.45Å; I152-I156 VanDerWaalsContact O-CG1 3.28Å; I152-I156 WeakPolarHBondContact O-CG1 3.48Å; I152-I156 PolarHBondContact O-N 2.96Å; L153-I156 CarbonylContact O-C 3.52Å; L153-I156 WeakPolarHBondContact O-CA 3.27Å; L153-I156 WeakPolarHBondContact O-CB 3.28Å; L153-I156 PolarHBondContact O-N 3.28Å; K154-I156 VanDerWaalsContact C-N 3.33Å; I156-I159 CarbonylContact O-C 3.59Å; I156-I159 WeakPolarHBondContact O-CA 3.38Å; I156-I159 VanDerWaalsContact O-CB 3.32Å; I156-I159 WeakPolarHBondContact O-CB 3.44Å; I156-I159 PolarHBondContact O-N 3.31Å; I156-W177 HydrophobicContact CB-CH2 4.25Å; I156-W177 HydrophobicContact CB-CZ3 4.42Å; I156-W177 HydrophobicContact CD1-CE3 4.32Å; I156-W177 HydrophobicContact CD1-CH2 4.19Å; I156-W177 HydrophobicContact CD1-CZ3 3.54Å; I156-W177 HydrophobicContact CG2-CH2 3.36Å; I156-W177 HydrophobicContact CG2-CZ2 4.19Å; I156-W177 HydrophobicContact CG2-CZ3 3.91Å
157	F	49.8	Very low	51.1	Low	53 Å²	53	76.4 Å²	76.4	23%	0.232	36%	0.363	C	S	.	.	H	α-helix	trans	-69	-40.9	175.6	-87.7	-74.8	0	0	0	112.3	L153 K154 I159 E160 P223 L226 L230	L153-F157 HydrophobicContact CB-CD2 4.39Å; L153-F157 VanDerWaalsContact O-CD2 3.26Å; L153-F157 WeakPolarHBondContact O-CD2 3.34Å; L153-F157 PolarHBondContact O-N 2.69Å; K154-F157 PolarHBondContact O-N 3.48Å; F157-I159 CarbonylContact O-C 3.46Å; F157-I159 PolarHBondContact O-N 3.39Å; F157-E160 WeakPolarHBondContact O-CA 3.38Å; F157-E160 WeakPolarHBondContact O-CG 3.17Å; F157-E160 PolarHBondContact O-N 2.99Å; F157-P223 HydrophobicContact CE1-CB 4.48Å; F157-L226 HydrophobicContact CE2-CB 3.48Å; F157-L226 VanDerWaalsContact CE2-CB 3.48Å; F157-L226 HydrophobicContact CE2-CD1 3.57Å; F157-L226 HydrophobicContact CE2-CG 4.03Å; F157-L226 HydrophobicContact CZ-CB 3.49Å; F157-L226 VanDerWaalsContact CZ-CB 3.49Å; F157-L226 HydrophobicContact CZ-CD1 3.42Å; F157-L226 VanDerWaalsContact CZ-CD1 3.42Å; F157-L226 HydrophobicContact CZ-CG 4.05Å; F157-L230 HydrophobicContact CD2-CD1 4.03Å; F157-L230 HydrophobicContact CE2-CD1 4.24Å
158	N	54	Low	50.3	Low	112 Å²	112	74.7 Å²	74.7	60%	0.599	36%	0.364	S	S	*	.	H	α-helix	trans	-63.9	-23	172	-73.2	-11.3	0	0	0	111.4	K154 E160	K154-N158 WeakPolarHBondContact O-CB 3.29Å; K154-N158 PolarHBondContact O-N 2.76Å; K154-N158 PolarHBondContact O-ND2 2.87Å; K154-N158 PolarHBondContact O-OD1 2.87Å; N158-E160 PolarHBondContact O-N 3.33Å
159	I	45.8	Very low	49.7	Very low	72 Å²	72	83.5 Å²	83.5	37%	0.369	40%	0.402	S	S	.	.			trans	-77	58.8	159.5	-53.6	157.2	0	0	0	107.9	N155 I156 F157 S161 L162	N155-I159 WeakPolarHBondContact O-CD1 3.06Å; N155-I159 WeakPolarHBondContact O-CG1 3.18Å; N155-I159 PolarHBondContact O-N 3.43Å; I156-I159 CarbonylContact O-C 3.59Å; I156-I159 WeakPolarHBondContact O-CA 3.38Å; I156-I159 VanDerWaalsContact O-CB 3.32Å; I156-I159 WeakPolarHBondContact O-CB 3.44Å; I156-I159 PolarHBondContact O-N 3.31Å; F157-I159 CarbonylContact O-C 3.46Å; F157-I159 PolarHBondContact O-N 3.39Å; I159-S161 PolarHBondContact O-N 3.03Å; I159-L162 HydrophobicContact CB-CD1 4.39Å; I159-L162 HydrophobicContact CG2-CB 4.21Å; I159-L162 HydrophobicContact CG2-CD1 3.66Å; I159-L162 HydrophobicContact CG2-CG 3.62Å; I159-L162 PolarHBondContact O-N 3.45Å; I159-L162 VanDerWaalsContact O-N 3.09Å
160	E	44.3	Very low	49	Very low	161 Å²	161	85.2 Å²	85.2	75%	0.752	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-55	-12.3	172.6	-71.8	-173.3	142.6	0	0	111.6	F157 N158 N163	F157-E160 WeakPolarHBondContact O-CA 3.38Å; F157-E160 WeakPolarHBondContact O-CG 3.17Å; F157-E160 PolarHBondContact O-N 2.99Å; N158-E160 PolarHBondContact O-N 3.33Å; E160-N163 PolarHBondContact O-ND2 3.12Å
161	S	44	Very low	48.5	Very low	87 Å²	87	90.3 Å²	90.3	61%	0.608	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-86.3	-1.1	178.1	63.2	0	0	0	0	116.5	I159 N163	I159-S161 PolarHBondContact O-N 3.03Å; S161-N163 PolarHBondContact O-N 3.49Å
162	L	40.3	Very low	47.8	Very low	72 Å²	72	92 Å²	92	38%	0.377	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-85.6	18.4	169.7	-78.7	169.5	0	0	0	113.5	I159 Y166	I159-L162 HydrophobicContact CB-CD1 4.39Å; I159-L162 HydrophobicContact CG2-CB 4.21Å; I159-L162 HydrophobicContact CG2-CD1 3.66Å; I159-L162 HydrophobicContact CG2-CG 3.62Å; I159-L162 PolarHBondContact O-N 3.45Å; I159-L162 VanDerWaalsContact O-N 3.09Å; L162-Y166 HydrophobicContact CB-CD2 4.18Å; L162-Y166 HydrophobicContact CB-CE2 4.23Å; L162-Y166 HydrophobicContact CD1-CE2 4.06Å; L162-Y166 HydrophobicContact CD2-CE2 4.04Å; L162-Y166 HydrophobicContact CG-CE2 4.33Å
163	N	37.3	Very low	47.3	Very low	118 Å²	118	92.1 Å²	92.1	63%	0.631	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42	139.8	168.7	-96.8	-28.7	0	0	0	112.4	E160 S161 K165	E160-N163 PolarHBondContact O-ND2 3.12Å; S161-N163 PolarHBondContact O-N 3.49Å; N163-K165 PolarHBondContact O-N 2.81Å
164	E	46.9	Very low	46.9	Very low	164 Å²	164	96.7 Å²	96.7	77%	0.766	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-43.6	179.3	-59.7	-167	157.1	0	0	119.2
165	K	43.5	Very low	46.7	Very low	172 Å²	172	98.7 Å²	98.7	75%	0.748	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-37.4	-169.4	-148.7	176	-173.7	-179.7	0	114.1	N163 T168	N163-K165 PolarHBondContact O-N 2.81Å; K165-T168 PolarHBondContact O-OG1 3.08Å
166	Y	44.6	Very low	46.5	Very low	55 Å²	55	99.1 Å²	99.1	22%	0.216	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-22	-174.7	-70	-80	0	0	0	114.6	L162 T168 S173 L176 W177 L180	L162-Y166 HydrophobicContact CB-CD2 4.18Å; L162-Y166 HydrophobicContact CB-CE2 4.23Å; L162-Y166 HydrophobicContact CD1-CE2 4.06Å; L162-Y166 HydrophobicContact CD2-CE2 4.04Å; L162-Y166 HydrophobicContact CG-CE2 4.33Å; Y166-T168 VanDerWaalsContact C-N 3.32Å; Y166-S173 WeakPolarHBondContact O-CB 3.25Å; Y166-L176 HydrophobicContact CE1-CB 4.32Å; Y166-W177 AromaticContact CD1-NE1 3.6Å; Y166-W177 AromaticContact CG-NE1 3.94Å; Y166-L180 HydrophobicContact CE1-CD1 4.33Å
167	Y	44.8	Very low	46.5	Very low	118 Å²	118	99.4 Å²	99.4	46%	0.463	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-7.9	-178.5	-70.3	-64	0	0	0	113.8	K169 P223	Y167-K169 PolarHBondContact O-N 2.76Å; Y167-P223 HydrophobicContact CD1-CG 4.39Å; Y167-P223 HydrophobicContact CE1-CG 3.52Å
168	T	42.4	Very low	46.8	Very low	77 Å²	77	102.9 Å²	102.9	47%	0.472	51%	0.51	S	S	.	.	S	Bend	trans	-69.2	132.1	172.1	60.7	0	0	0	0	108.5	K165 Y166 S170 S173	K165-T168 PolarHBondContact O-OG1 3.08Å; Y166-T168 VanDerWaalsContact C-N 3.32Å; T168-S170 PolarHBondContact O-N 3.45Å; T168-S173 PolarHBondContact O-OG 3.49Å
169	K	43.8	Very low	46.9	Very low	196 Å²	196	101.6 Å²	101.6	85%	0.852	50%	0.503	S	S	*	.			trans	-61.6	23.3	177.8	-72.8	-177.4	172.7	-177.9	0	114.3	Y167	Y167-K169 PolarHBondContact O-N 2.76Å
170	S	43.9	Very low	47.4	Very low	50 Å²	50	101.8 Å²	101.8	35%	0.35	50%	0.504	S	S	.	.			trans	-76.6	139.1	178.2	80.1	0	0	0	0	110.3	T168 N172 S173	T168-S170 PolarHBondContact O-N 3.45Å; S170-N172 PolarHBondContact O-N 2.83Å; S170-S173 PolarHBondContact O-N 3.09Å; S170-S173 PolarHBondContact O-OG 3.13Å
171	T	47.6	Very low	48	Very low	116 Å²	116	94.4 Å²	94.4	71%	0.712	47%	0.47	S	S	*	.	H	α-helix	trans	-49.6	-30.3	173.6	1.3	0	0	0	0	112.8	S173 K174 E175	T171-S173 VanDerWaalsContact C-N 3.32Å; T171-S173 PolarHBondContact O-N 3.41Å; T171-K174 WeakPolarHBondContact O-CB 2.92Å; T171-K174 PolarHBondContact O-N 2.87Å; T171-E175 PolarHBondContact O-N 2.99Å
172	N	46.2	Very low	48.5	Very low	105 Å²	105	92.4 Å²	92.4	56%	0.561	45%	0.449	S	S	*	.	H	α-helix	trans	-65.5	-30.3	179.3	-67.7	-0.5	0	0	0	113.2	S170 K174 L176	S170-N172 PolarHBondContact O-N 2.83Å; N172-K174 VanDerWaalsContact C-N 3.34Å; N172-L176 WeakPolarHBondContact O-CB 3.26Å; N172-L176 WeakPolarHBondContact O-CD1 3.48Å; N172-L176 PolarHBondContact O-N 2.76Å; N172-L176 VanDerWaalsContact O-N 3.16Å
173	S	48.4	Very low	49.1	Very low	7 Å²	7	93.2 Å²	93.2	5%	0.049	45%	0.454	C	S	.	.	H	α-helix	trans	-68.8	-37.2	177.8	66.3	0	0	0	0	111	Y166 T168 S170 T171 L176 W177	Y166-S173 WeakPolarHBondContact O-CB 3.25Å; T168-S173 PolarHBondContact O-OG 3.49Å; S170-S173 PolarHBondContact O-N 3.09Å; S170-S173 PolarHBondContact O-OG 3.13Å; T171-S173 VanDerWaalsContact C-N 3.32Å; T171-S173 PolarHBondContact O-N 3.41Å; S173-L176 PolarHBondContact O-N 2.9Å; S173-W177 WeakPolarHBondContact O-CB 3.47Å; S173-W177 PolarHBondContact O-N 2.87Å
174	K	48.4	Very low	49.8	Very low	95 Å²	95	91.2 Å²	91.2	41%	0.413	44%	0.44	S	S	.	.	H	α-helix	trans	-63.1	-46.9	179.1	-173.2	173.3	-176.5	170.7	0	112.7	T171 N172 K178 G219	T171-K174 WeakPolarHBondContact O-CB 2.92Å; T171-K174 PolarHBondContact O-N 2.87Å; N172-K174 VanDerWaalsContact C-N 3.34Å; K174-K178 VanDerWaalsContact O-CB 3.28Å; K174-K178 WeakPolarHBondContact O-CB 3.38Å; K174-K178 PolarHBondContact O-N 3.17Å; K174-G219 WeakPolarHBondContact CD-O 3.22Å; K174-G219 WeakPolarHBondContact CE-O 3.36Å; K174-G219 WeakPolarHBondContact CG-O 3.07Å
175	E	54.4	Low	49.9	Very low	132 Å²	132	84.1 Å²	84.1	62%	0.617	41%	0.407	S	S	*	.	H	α-helix	trans	-65	-44.2	175.6	-76.9	-177.5	164.7	0	0	111.4	T171 W177 K178 D179	T171-E175 PolarHBondContact O-N 2.99Å; E175-W177 PolarHBondContact O-N 3.43Å; E175-K178 PolarHBondContact O-N 2.93Å; E175-D179 WeakPolarHBondContact O-CB 3.49Å; E175-D179 VanDerWaalsContact O-CG 3.22Å; E175-D179 PolarHBondContact O-N 2.77Å
176	L	53.3	Low	50	Low	84 Å²	84	81 Å²	81	44%	0.44	39%	0.391	S	S	.	.	H	α-helix	trans	-61.7	-42.4	177.3	-100.7	143.7	0	0	0	113.3	Y166 N172 S173 D179 L180	Y166-L176 HydrophobicContact CE1-CB 4.32Å; N172-L176 WeakPolarHBondContact O-CB 3.26Å; N172-L176 WeakPolarHBondContact O-CD1 3.48Å; N172-L176 PolarHBondContact O-N 2.76Å; N172-L176 VanDerWaalsContact O-N 3.16Å; S173-L176 PolarHBondContact O-N 2.9Å; L176-D179 PolarHBondContact O-N 3.28Å; L176-L180 VanDerWaalsContact O-CB 3.28Å; L176-L180 WeakPolarHBondContact O-CB 3.41Å; L176-L180 VanDerWaalsContact O-CG 3.26Å; L176-L180 WeakPolarHBondContact O-CG 3.39Å; L176-L180 PolarHBondContact O-N 3.49Å
177	W	53.5	Low	50.2	Low	41 Å²	41	81.9 Å²	81.9	16%	0.155	41%	0.41	C	S	.	.	H	α-helix	trans	-65.5	-46.3	176.1	-87.7	109.1	0	0	0	111.6	L153 I156 Y166 S173 E175 D179 L180 V181	L153-W177 HydrophobicContact CD2-CZ3 4.13Å; I156-W177 HydrophobicContact CB-CH2 4.25Å; I156-W177 HydrophobicContact CB-CZ3 4.42Å; I156-W177 HydrophobicContact CD1-CE3 4.32Å; I156-W177 HydrophobicContact CD1-CH2 4.19Å; I156-W177 HydrophobicContact CD1-CZ3 3.54Å; I156-W177 HydrophobicContact CG2-CH2 3.36Å; I156-W177 HydrophobicContact CG2-CZ2 4.19Å; I156-W177 HydrophobicContact CG2-CZ3 3.91Å; Y166-W177 AromaticContact CD1-NE1 3.6Å; Y166-W177 AromaticContact CG-NE1 3.94Å; S173-W177 WeakPolarHBondContact O-CB 3.47Å; S173-W177 PolarHBondContact O-N 2.87Å; E175-W177 PolarHBondContact O-N 3.43Å; W177-D179 VanDerWaalsContact C-N 3.3Å; W177-D179 PolarHBondContact O-N 2.88Å; W177-L180 PolarHBondContact O-N 3.29Å; W177-V181 HydrophobicContact CE3-CG2 4.09Å; W177-V181 WeakPolarHBondContact O-CG2 3.49Å; W177-V181 PolarHBondContact O-N 3.4Å
178	K	55	Low	50.3	Low	127 Å²	127	79.8 Å²	79.8	55%	0.552	40%	0.404	S	S	*	.	H	α-helix	trans	-55.3	-51.1	175.4	-173.5	179.2	178.7	-177.7	0	109.2	K174 E175 Y182	K174-K178 VanDerWaalsContact O-CB 3.28Å; K174-K178 WeakPolarHBondContact O-CB 3.38Å; K174-K178 PolarHBondContact O-N 3.17Å; E175-K178 PolarHBondContact O-N 2.93Å; K178-Y182 WeakPolarHBondContact O-CA 3.32Å; K178-Y182 WeakPolarHBondContact O-CB 3.12Å; K178-Y182 PolarHBondContact O-N 3.32Å
179	D	56.8	Low	50.5	Low	84 Å²	84	79.3 Å²	79.3	45%	0.449	39%	0.394	S	S	.	.	H	α-helix	trans	-66	-43.3	-178.8	-71.9	-12	0	0	0	112.8	E175 L176 W177 N183	E175-D179 WeakPolarHBondContact O-CB 3.49Å; E175-D179 VanDerWaalsContact O-CG 3.22Å; E175-D179 PolarHBondContact O-N 2.77Å; L176-D179 PolarHBondContact O-N 3.28Å; W177-D179 VanDerWaalsContact C-N 3.3Å; W177-D179 PolarHBondContact O-N 2.88Å; D179-N183 WeakPolarHBondContact O-CA 3.39Å; D179-N183 WeakPolarHBondContact O-CB 3.46Å; D179-N183 PolarHBondContact O-N 2.85Å; D179-N183 PolarHBondContact O-ND2 2.75Å
180	L	56.6	Low	50.5	Low	77 Å²	77	70.4 Å²	70.4	40%	0.403	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-50.1	179.8	-80.8	170.3	0	0	0	111.8	Y166 L176 W177 K184	Y166-L180 HydrophobicContact CE1-CD1 4.33Å; L176-L180 VanDerWaalsContact O-CB 3.28Å; L176-L180 WeakPolarHBondContact O-CB 3.41Å; L176-L180 VanDerWaalsContact O-CG 3.26Å; L176-L180 WeakPolarHBondContact O-CG 3.39Å; L176-L180 PolarHBondContact O-N 3.49Å; W177-L180 PolarHBondContact O-N 3.29Å; L180-K184 WeakPolarHBondContact O-CB 3.16Å; L180-K184 PolarHBondContact O-N 3.44Å; L180-K184 VanDerWaalsContact O-N 3.1Å
181	V	55.8	Low	50.4	Low	5 Å²	5	69.4 Å²	69.4	3%	0.03	35%	0.345	C	S	.	.	H	α-helix	trans	-72.5	-41.8	-177.7	-174.8	0	0	0	0	110.4	F149 I152 W177 K184 L185	F149-V181 HydrophobicContact CD2-CG1 3.31Å; F149-V181 HydrophobicContact CE1-CG1 4.39Å; F149-V181 HydrophobicContact CE2-CB 4.08Å; F149-V181 HydrophobicContact CE2-CG1 3.11Å; F149-V181 HydrophobicContact CG-CG1 4.04Å; F149-V181 HydrophobicContact CZ-CB 4.41Å; F149-V181 HydrophobicContact CZ-CG1 3.7Å; F149-V181 HydrophobicContact CZ-CG2 4.4Å; I152-V181 HydrophobicContact CG2-CG2 4.46Å; W177-V181 HydrophobicContact CE3-CG2 4.09Å; W177-V181 WeakPolarHBondContact O-CG2 3.49Å; W177-V181 PolarHBondContact O-N 3.4Å; V181-K184 PolarHBondContact O-N 3.46Å; V181-L185 HydrophobicContact CG1-CD1 3.77Å; V181-L185 HydrophobicContact CG1-CG 4.28Å; V181-L185 WeakPolarHBondContact O-CB 3.4Å; V181-L185 VanDerWaalsContact O-CG 3.27Å; V181-L185 WeakPolarHBondContact O-CG 3.42Å; V181-L185 PolarHBondContact O-N 3.47Å
182	Y	54.3	Low	50.2	Low	46 Å²	46	70.6 Å²	70.6	18%	0.18	35%	0.347	C	S	.	.	H	α-helix	trans	-60.4	-54.1	175.5	173.6	-89.9	0	0	0	111.7	K178 K184 L185 Y186 K202 I206	K178-Y182 WeakPolarHBondContact O-CA 3.32Å; K178-Y182 WeakPolarHBondContact O-CB 3.12Å; K178-Y182 PolarHBondContact O-N 3.32Å; Y182-K184 PolarHBondContact O-N 3.01Å; Y182-L185 PolarHBondContact O-N 3.45Å; Y182-Y186 HydrophobicContact CE1-CG 4.33Å; Y182-Y186 AromaticContact CZ-CD2 3.97Å; Y182-Y186 WeakPolarHBondContact O-CB 3.29Å; Y182-Y186 PolarHBondContact O-N 2.81Å; Y182-Y186 VanDerWaalsContact OH-CD2 3.23Å; Y182-Y186 WeakPolarHBondContact OH-CD2 3.38Å; Y182-K202 HydrophobicContact CE2-CG 4.46Å; Y182-K202 WeakPolarHBondContact OH-CE 3.15Å; Y182-K202 PolarHBondContact OH-NZ 2.78Å; Y182-I206 HydrophobicContact CD2-CD1 3.5Å; Y182-I206 VanDerWaalsContact CD2-CD1 3.5Å; Y182-I206 HydrophobicContact CE2-CD1 3.52Å
183	N	53.2	Low	50	Low	89 Å²	89	73.4 Å²	73.4	48%	0.476	36%	0.357	S	S	.	.	H	α-helix	trans	-63.2	-35.9	-176.5	-71.4	-33	0	0	0	110.8	D179 A187	D179-N183 WeakPolarHBondContact O-CA 3.39Å; D179-N183 WeakPolarHBondContact O-CB 3.46Å; D179-N183 PolarHBondContact O-N 2.85Å; D179-N183 PolarHBondContact O-ND2 2.75Å; N183-A187 WeakPolarHBondContact O-CB 3.45Å; N183-A187 PolarHBondContact O-N 3.32Å
184	K	52.6	Low	49.7	Very low	76 Å²	76	78.5 Å²	78.5	33%	0.33	38%	0.378	S	S	.	.	H	α-helix	trans	-72.1	-44.1	178.4	-166.1	159.7	-174.1	170.4	0	112.5	I152 L180 V181 Y182 Y186 A187 E188	I152-K184 HydrophobicContact CD1-CB 3.94Å; I152-K184 HydrophobicContact CD1-CD 4.08Å; I152-K184 HydrophobicContact CD1-CG 3.73Å; I152-K184 HydrophobicContact CG1-CD 3.91Å; I152-K184 HydrophobicContact CG1-CG 4.1Å; I152-K184 HydrophobicContact CG2-CD 4.21Å; L180-K184 WeakPolarHBondContact O-CB 3.16Å; L180-K184 PolarHBondContact O-N 3.44Å; L180-K184 VanDerWaalsContact O-N 3.1Å; V181-K184 PolarHBondContact O-N 3.46Å; Y182-K184 PolarHBondContact O-N 3.01Å; K184-Y186 VanDerWaalsContact C-N 3.31Å; K184-Y186 PolarHBondContact O-N 2.77Å; K184-A187 PolarHBondContact O-N 3.33Å; K184-E188 WeakPolarHBondContact CE-OE1 3.28Å; K184-E188 HydrophobicContact CG-CG 4.17Å; K184-E188 IonicContact NZ-OE1 2.77Å; K184-E188 WeakPolarHBondContact O-CB 3.22Å; K184-E188 WeakPolarHBondContact O-CG 3.15Å; K184-E188 PolarHBondContact O-N 2.82Å
185	L	48.1	Very low	49.5	Very low	14 Å²	14	81.6 Å²	81.6	7%	0.073	40%	0.4	C	S	.	.	H	α-helix	trans	-64.1	-37	173.7	-71.8	173	0	0	0	112.5	L145 E148 F149 I152 V181 Y182	L145-L185 HydrophobicContact CD2-CB 4.45Å; L145-L185 HydrophobicContact CD2-CD1 4.2Å; L145-L185 HydrophobicContact CD2-CD2 4.3Å; E148-L185 HydrophobicContact CB-CD2 3.64Å; F149-L185 HydrophobicContact CB-CD1 4.32Å; F149-L185 HydrophobicContact CD2-CD1 3.65Å; F149-L185 HydrophobicContact CE2-CD1 4.47Å; F149-L185 HydrophobicContact CG-CD1 4.43Å; I152-L185 HydrophobicContact CD1-CD2 3.66Å; I152-L185 HydrophobicContact CD1-CG 3.81Å; V181-L185 HydrophobicContact CG1-CD1 3.77Å; V181-L185 HydrophobicContact CG1-CG 4.28Å; V181-L185 WeakPolarHBondContact O-CB 3.4Å; V181-L185 VanDerWaalsContact O-CG 3.27Å; V181-L185 WeakPolarHBondContact O-CG 3.42Å; V181-L185 PolarHBondContact O-N 3.47Å; Y182-L185 PolarHBondContact O-N 3.45Å
186	Y	46.9	Very low	49.1	Very low	108 Å²	108	78.1 Å²	78.1	42%	0.424	39%	0.387	S	S	.	.	H	α-helix	trans	-69.8	-45.5	177.4	-175	-93.1	0	0	0	112.2	Y182 K184 F191	Y182-Y186 HydrophobicContact CE1-CG 4.33Å; Y182-Y186 AromaticContact CZ-CD2 3.97Å; Y182-Y186 WeakPolarHBondContact O-CB 3.29Å; Y182-Y186 PolarHBondContact O-N 2.81Å; Y182-Y186 VanDerWaalsContact OH-CD2 3.23Å; Y182-Y186 WeakPolarHBondContact OH-CD2 3.38Å; K184-Y186 VanDerWaalsContact C-N 3.31Å; K184-Y186 PolarHBondContact O-N 2.77Å; Y186-F191 AromaticContact CD2-CD2 3.86Å; Y186-F191 HydrophobicContact CD2-CD2 3.86Å; Y186-F191 HydrophobicContact CD2-CE2 4.37Å; Y186-F191 HydrophobicContact CE2-CD2 4.31Å
187	A	48.4	Very low	48.6	Very low	73 Å²	73	78.6 Å²	78.6	60%	0.603	40%	0.395	S	S	*	.	H	α-helix	trans	-76.2	-36.6	-176.6	0	0	0	0	0	113.3	N183 K184	N183-A187 WeakPolarHBondContact O-CB 3.45Å; N183-A187 PolarHBondContact O-N 3.32Å; K184-A187 PolarHBondContact O-N 3.33Å
188	E	46.5	Very low	48.1	Very low	74 Å²	74	77.6 Å²	77.6	35%	0.346	39%	0.394	S	S	.	.	H	α-helix	trans	-86.9	-32.8	-168.6	-69.5	-170.4	174.6	0	0	115	R151 K184	R151-E188 IonicContact NH2-OE2 2.76Å; R151-E188 PolarHBondContact NH2-OE2 2.96Å; K184-E188 WeakPolarHBondContact CE-OE1 3.28Å; K184-E188 HydrophobicContact CG-CG 4.17Å; K184-E188 IonicContact NZ-OE1 2.77Å; K184-E188 WeakPolarHBondContact O-CB 3.22Å; K184-E188 WeakPolarHBondContact O-CG 3.15Å; K184-E188 PolarHBondContact O-N 2.82Å
189	Y	47.9	Very low	47.8	Very low	66 Å²	66	76 Å²	76	26%	0.259	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.3	-53.2	-165.3	-88.8	-87	0	0	0	118.3	F74	F74-Y189 HydrophobicContact CZ-CE1 4.27Å
190	I	43.1	Very low	47.4	Very low	9 Å²	9	78.3 Å²	78.3	5%	0.046	41%	0.41	C	S	.	.	S	Bend	trans	-95.2	-17.1	-143.5	-60.8	-167.3	0	0	0	115.8	I141 I144 L145	I141-I190 HydrophobicContact CG2-CG2 3.87Å; I144-I190 HydrophobicContact CB-CD1 4.37Å; I144-I190 HydrophobicContact CG2-CD1 3.71Å; I144-I190 HydrophobicContact CG2-CG1 4.35Å; L145-I190 HydrophobicContact CB-CD1 4.22Å; L145-I190 HydrophobicContact CD2-CD1 3.39Å; L145-I190 HydrophobicContact CD2-CG1 4.44Å; L145-I190 HydrophobicContact CG-CD1 3.42Å; L145-I190 VanDerWaalsContact CG-CD1 3.42Å
191	F	42.5	Very low	46.9	Very low	30 Å²	30	77.3 Å²	77.3	13%	0.132	41%	0.405	C	S	.	.	S	Bend	trans	-117.9	-16.5	-165.6	-57.6	-52.2	0	0	0	115.8	Y186 V198	Y186-F191 AromaticContact CD2-CD2 3.86Å; Y186-F191 HydrophobicContact CD2-CD2 3.86Å; Y186-F191 HydrophobicContact CD2-CE2 4.37Å; Y186-F191 HydrophobicContact CE2-CD2 4.31Å; F191-V198 HydrophobicContact CB-CB 4.45Å; F191-V198 HydrophobicContact CB-CG1 4.15Å; F191-V198 HydrophobicContact CB-CG2 3.93Å; F191-V198 HydrophobicContact CD1-CB 3.9Å; F191-V198 HydrophobicContact CD1-CG1 3.4Å; F191-V198 HydrophobicContact CD1-CG2 3.14Å; F191-V198 HydrophobicContact CD2-CG1 3.93Å; F191-V198 HydrophobicContact CE1-CB 4.36Å; F191-V198 HydrophobicContact CE1-CG1 3.58Å; F191-V198 HydrophobicContact CE1-CG2 3.8Å; F191-V198 HydrophobicContact CE2-CG1 4.13Å; F191-V198 HydrophobicContact CG-CB 4.22Å; F191-V198 HydrophobicContact CG-CG1 3.54Å; F191-V198 HydrophobicContact CG-CG2 3.76Å; F191-V198 HydrophobicContact CZ-CG1 3.95Å
192	N	42.2	Very low	46.5	Very low	140 Å²	140	80.4 Å²	80.4	75%	0.749	42%	0.417	S	S	*	.	S	Bend	trans	-78.6	-26.9	172.7	-71.4	-13.6	0	0	0	112.7
193	E	42.4	Very low	46.5	Very low	164 Å²	164	81.9 Å²	81.9	77%	0.766	43%	0.433	S	S	*	.	S	Bend	trans	-86.9	-24.3	-174.6	-71.6	-153.6	160.5	0	0	115
194	F	41.8	Very low	46.8	Very low	114 Å²	114	83 Å²	83	50%	0.5	44%	0.435	S	S	.	.	S	Bend	trans	-101.2	-2.4	-168.4	-77.6	-74.2	0	0	0	115.8	V196	F194-V196 HydrophobicContact CB-CG2 4.08Å; F194-V196 WeakPolarHBondContact O-CG2 3.28Å; F194-V196 PolarHBondContact O-N 3.48Å
195	D	43.6	Very low	46.8	Very low	161 Å²	161	79.4 Å²	79.4	86%	0.861	42%	0.42	S	S	*	.			trans	46.8	24	179.6	-106	-4.4	0	0	0	114.5
196	V	46.5	Very low	47.1	Very low	58 Å²	58	80.9 Å²	80.9	35%	0.352	43%	0.427	S	S	.	.			trans	-79.7	139.9	175.2	-179.8	0	0	0	0	107.4	F194 V198 I201	F194-V196 HydrophobicContact CB-CG2 4.08Å; F194-V196 WeakPolarHBondContact O-CG2 3.28Å; F194-V196 PolarHBondContact O-N 3.48Å; V196-V198 HydrophobicContact CB-CG2 4.11Å; V196-V198 HydrophobicContact CG1-CG2 4.48Å; V196-V198 VanDerWaalsContact O-CG2 3.26Å; V196-V198 WeakPolarHBondContact O-CG2 3.18Å; V196-V198 PolarHBondContact O-N 2.83Å; V196-I201 HydrophobicContact CG1-CD1 3.76Å
197	P	43.8	Very low	47.7	Very low	94 Å²	94	80.1 Å²	80.1	61%	0.61	43%	0.427	S	S	*	.			trans	-67.2	79.5	165.7	25	-30.7	0	0	0	109.5	S199 L200	P197-S199 PolarHBondContact O-N 3.46Å; P197-S199 VanDerWaalsContact O-N 3.14Å; P197-L200 PolarHBondContact O-N 3.01Å
198	V	43.3	Very low	48.4	Very low	21 Å²	21	78.1 Å²	78.1	13%	0.127	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19	-171.4	160.9	0	0	0	0	112.6	F191 V196 L200 I201 K202	F191-V198 HydrophobicContact CB-CB 4.45Å; F191-V198 HydrophobicContact CB-CG1 4.15Å; F191-V198 HydrophobicContact CB-CG2 3.93Å; F191-V198 HydrophobicContact CD1-CB 3.9Å; F191-V198 HydrophobicContact CD1-CG1 3.4Å; F191-V198 HydrophobicContact CD1-CG2 3.14Å; F191-V198 HydrophobicContact CD2-CG1 3.93Å; F191-V198 HydrophobicContact CE1-CB 4.36Å; F191-V198 HydrophobicContact CE1-CG1 3.58Å; F191-V198 HydrophobicContact CE1-CG2 3.8Å; F191-V198 HydrophobicContact CE2-CG1 4.13Å; F191-V198 HydrophobicContact CG-CB 4.22Å; F191-V198 HydrophobicContact CG-CG1 3.54Å; F191-V198 HydrophobicContact CG-CG2 3.76Å; F191-V198 HydrophobicContact CZ-CG1 3.95Å; V196-V198 HydrophobicContact CB-CG2 4.11Å; V196-V198 HydrophobicContact CG1-CG2 4.48Å; V196-V198 VanDerWaalsContact O-CG2 3.26Å; V196-V198 WeakPolarHBondContact O-CG2 3.18Å; V196-V198 PolarHBondContact O-N 2.83Å; V198-L200 PolarHBondContact O-N 2.95Å; V198-I201 PolarHBondContact O-N 3.49Å; V198-K202 HydrophobicContact CG1-CB 3.91Å; V198-K202 WeakPolarHBondContact O-CB 3.42Å; V198-K202 PolarHBondContact O-N 2.96Å
199	S	48	Very low	49	Very low	92 Å²	92	75 Å²	75	64%	0.643	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-29.6	176.8	54.8	0	0	0	0	113.3	P197	P197-S199 PolarHBondContact O-N 3.46Å; P197-S199 VanDerWaalsContact O-N 3.14Å
200	L	47.6	Very low	49.7	Very low	134 Å²	134	73.6 Å²	73.6	70%	0.702	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-42.3	-180	-66	172.6	0	0	0	113.5	P197 V198	P197-L200 PolarHBondContact O-N 3.01Å; V198-L200 PolarHBondContact O-N 2.95Å
201	I	46.1	Very low	50.7	Low	56 Å²	56	77.2 Å²	77.2	29%	0.287	41%	0.41	S	S	.	.	H	α-helix	trans	-81.8	-28.3	-175.3	-54.5	178.2	0	0	0	111.3	Y138 V196 V198 E204 L205	Y138-I201 HydrophobicContact CD2-CG2 4.27Å; Y138-I201 HydrophobicContact CE2-CG2 4.09Å; V196-I201 HydrophobicContact CG1-CD1 3.76Å; V198-I201 PolarHBondContact O-N 3.49Å; I201-E204 PolarHBondContact O-N 3.37Å; I201-L205 HydrophobicContact CG2-CB 4.01Å; I201-L205 HydrophobicContact CG2-CD2 3.92Å; I201-L205 WeakPolarHBondContact O-CB 3.4Å; I201-L205 PolarHBondContact O-N 2.84Å
202	K	48.8	Very low	51.7	Low	69 Å²	69	80 Å²	80	30%	0.3	42%	0.423	S	S	.	.	H	α-helix	trans	-51.7	-53.1	-172.3	163.3	-174	174.1	172.7	0	114.6	Y182 V198 I206	Y182-K202 HydrophobicContact CE2-CG 4.46Å; Y182-K202 WeakPolarHBondContact OH-CE 3.15Å; Y182-K202 PolarHBondContact OH-NZ 2.78Å; V198-K202 HydrophobicContact CG1-CB 3.91Å; V198-K202 WeakPolarHBondContact O-CB 3.42Å; V198-K202 PolarHBondContact O-N 2.96Å; K202-I206 HydrophobicContact CG-CD1 4.24Å; K202-I206 WeakPolarHBondContact O-CB 3.26Å; K202-I206 VanDerWaalsContact O-CG1 3.24Å; K202-I206 WeakPolarHBondContact O-CG1 3.41Å; K202-I206 PolarHBondContact O-N 3.49Å
203	P	52.8	Low	52.6	Low	78 Å²	78	73.3 Å²	73.3	51%	0.506	39%	0.387	S	S	.	.	H	α-helix	trans	-68.6	-45.4	-175.5	-18.8	33.4	0	0	0	111.1	Q207	P203-Q207 WeakPolarHBondContact O-CB 3.48Å; P203-Q207 PolarHBondContact O-N 3.19Å
204	E	59.3	Low	53.8	Low	112 Å²	112	66.1 Å²	66.1	52%	0.523	35%	0.354	S	S	.	.	H	α-helix	trans	-68.7	-41.5	-174.1	-64.1	-174.8	172	0	0	112.3	I201 Q207 S208	I201-E204 PolarHBondContact O-N 3.37Å; E204-Q207 PolarHBondContact O-N 3.49Å; E204-S208 VanDerWaalsContact O-CB 3.3Å; E204-S208 WeakPolarHBondContact O-CB 3.41Å; E204-S208 PolarHBondContact O-N 3.31Å
205	L	53.6	Low	54.7	Low	1 Å²	1	64 Å²	64	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-69.1	-45.9	-178.2	-179	59.3	0	0	0	112	Y138 I141 K142 L145 I201 Q207 S208 V209	Y138-L205 HydrophobicContact CE2-CD1 3.96Å; I141-L205 HydrophobicContact CG2-CD2 3.74Å; K142-L205 HydrophobicContact CB-CD1 4.32Å; K142-L205 HydrophobicContact CD-CD1 4.35Å; K142-L205 HydrophobicContact CG-CD1 3.26Å; L145-L205 HydrophobicContact CD1-CD1 3.96Å; L145-L205 HydrophobicContact CD1-CD2 3.22Å; L145-L205 HydrophobicContact CD1-CG 3.34Å; I201-L205 HydrophobicContact CG2-CB 4.01Å; I201-L205 HydrophobicContact CG2-CD2 3.92Å; I201-L205 WeakPolarHBondContact O-CB 3.4Å; I201-L205 PolarHBondContact O-N 2.84Å; L205-Q207 VanDerWaalsContact C-N 3.34Å; L205-S208 WeakPolarHBondContact O-CB 3.28Å; L205-S208 PolarHBondContact O-N 2.76Å; L205-V209 PolarHBondContact O-N 3.36Å; L205-V209 VanDerWaalsContact O-N 3.08Å
206	I	54.4	Low	56	Low	44 Å²	44	59.9 Å²	59.9	23%	0.226	32%	0.321	C	S	.	.	H	α-helix	trans	-66.4	-41.2	176.7	-63.6	177.2	0	0	0	109.9	Y182 K202 S208 V209 F210	Y182-I206 HydrophobicContact CD2-CD1 3.5Å; Y182-I206 VanDerWaalsContact CD2-CD1 3.5Å; Y182-I206 HydrophobicContact CE2-CD1 3.52Å; K202-I206 HydrophobicContact CG-CD1 4.24Å; K202-I206 WeakPolarHBondContact O-CB 3.26Å; K202-I206 VanDerWaalsContact O-CG1 3.24Å; K202-I206 WeakPolarHBondContact O-CG1 3.41Å; K202-I206 PolarHBondContact O-N 3.49Å; I206-S208 VanDerWaalsContact C-N 3.3Å; I206-S208 PolarHBondContact O-N 2.77Å; I206-V209 PolarHBondContact O-N 3.14Å; I206-F210 VanDerWaalsContact O-CB 3.31Å; I206-F210 WeakPolarHBondContact O-CB 3.23Å; I206-F210 PolarHBondContact O-N 2.77Å
207	Q	60.4	Low	57.2	Low	92 Å²	92	59.9 Å²	59.9	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-63.2	-36.9	174.7	-168.5	65.8	44.2	0	0	111.6	P203 E204 L205 F210 N211	P203-Q207 WeakPolarHBondContact O-CB 3.48Å; P203-Q207 PolarHBondContact O-N 3.19Å; E204-Q207 PolarHBondContact O-N 3.49Å; L205-Q207 VanDerWaalsContact C-N 3.34Å; Q207-F210 PolarHBondContact O-N 2.97Å; Q207-N211 PolarHBondContact NE2-OD1 2.76Å; Q207-N211 VanDerWaalsContact O-CB 3.24Å; Q207-N211 WeakPolarHBondContact O-CB 3.49Å; Q207-N211 PolarHBondContact O-N 3.14Å; Q207-N211 PolarHBondContact O-ND2 2.91Å; Q207-N211 PolarHBondContact O-OD1 2.89Å
208	S	61.7	Low	58.6	Low	31 Å²	31	59.3 Å²	59.3	22%	0.217	33%	0.325	C	S	.	.	H	α-helix	trans	-62	-48.6	176	-172.2	0	0	0	0	111.2	E204 L205 I206 F210 N211 E212	E204-S208 VanDerWaalsContact O-CB 3.3Å; E204-S208 WeakPolarHBondContact O-CB 3.41Å; E204-S208 PolarHBondContact O-N 3.31Å; L205-S208 WeakPolarHBondContact O-CB 3.28Å; L205-S208 PolarHBondContact O-N 2.76Å; I206-S208 VanDerWaalsContact C-N 3.3Å; I206-S208 PolarHBondContact O-N 2.77Å; S208-F210 VanDerWaalsContact C-N 3.34Å; S208-N211 PolarHBondContact O-N 3.44Å; S208-E212 WeakPolarHBondContact O-CG 3.32Å; S208-E212 PolarHBondContact O-N 2.97Å
209	V	59.5	Low	59.6	Low	8 Å²	8	58.5 Å²	58.5	5%	0.048	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-42.3	177.1	176	0	0	0	0	110.6	L146 F149 L205 I206 E212 I213 F229	L146-V209 HydrophobicContact CD1-CG1 4.5Å; F149-V209 HydrophobicContact CD2-CG1 4.04Å; F149-V209 HydrophobicContact CE2-CG1 4.4Å; F149-V209 HydrophobicContact CG-CG1 4.32Å; L205-V209 PolarHBondContact O-N 3.36Å; L205-V209 VanDerWaalsContact O-N 3.08Å; I206-V209 PolarHBondContact O-N 3.14Å; V209-E212 PolarHBondContact O-N 3.15Å; V209-I213 HydrophobicContact CG1-CD1 4.13Å; V209-I213 WeakPolarHBondContact O-CG1 2.84Å; V209-I213 PolarHBondContact O-N 2.72Å; V209-F229 HydrophobicContact CG1-CZ 4.44Å
210	F	62.2	Low	60.1	Low	37 Å²	37	57.2 Å²	57.2	16%	0.162	31%	0.306	C	S	.	.	H	α-helix	trans	-60.3	-47.9	177	-169.6	-82.8	0	0	0	111.5	I206 Q207 S208 E212 I213 D214 F221	I206-F210 VanDerWaalsContact O-CB 3.31Å; I206-F210 WeakPolarHBondContact O-CB 3.23Å; I206-F210 PolarHBondContact O-N 2.77Å; Q207-F210 PolarHBondContact O-N 2.97Å; S208-F210 VanDerWaalsContact C-N 3.34Å; F210-E212 VanDerWaalsContact C-N 3.28Å; F210-E212 PolarHBondContact O-N 3.36Å; F210-I213 PolarHBondContact O-N 3.36Å; F210-I213 VanDerWaalsContact O-N 3.13Å; F210-D214 HydrophobicContact CD1-CB 3.99Å; F210-D214 HydrophobicContact CE1-CB 3.72Å; F210-D214 WeakPolarHBondContact CE1-OD2 3.42Å; F210-D214 HydrophobicContact CZ-CB 4.46Å; F210-D214 WeakPolarHBondContact O-CB 3.13Å; F210-D214 PolarHBondContact O-N 3.37Å; F210-F221 HydrophobicContact CD1-CE1 4.36Å; F210-F221 HydrophobicContact CD1-CZ 4.41Å; F210-F221 AromaticContact CD2-CE1 3.97Å; F210-F221 HydrophobicContact CD2-CE1 3.97Å; F210-F221 AromaticContact CD2-CE2 4Å; F210-F221 HydrophobicContact CD2-CE2 4Å; F210-F221 AromaticContact CD2-CZ 3.24Å; F210-F221 HydrophobicContact CD2-CZ 3.24Å; F210-F221 HydrophobicContact CE1-CE1 4.19Å; F210-F221 HydrophobicContact CE1-CZ 4.38Å; F210-F221 AromaticContact CE2-CE1 3.77Å; F210-F221 HydrophobicContact CE2-CE1 3.77Å; F210-F221 AromaticContact CE2-CE2 3.71Å; F210-F221 HydrophobicContact CE2-CE2 3.71Å; F210-F221 AromaticContact CE2-CZ 3.2Å; F210-F221 HydrophobicContact CE2-CZ 3.2Å; F210-F221 HydrophobicContact CG-CE1 4.25Å; F210-F221 AromaticContact CG-CZ 3.87Å; F210-F221 HydrophobicContact CG-CZ 3.87Å; F210-F221 AromaticContact CZ-CE1 3.87Å; F210-F221 HydrophobicContact CZ-CE1 3.87Å; F210-F221 HydrophobicContact CZ-CE2 4.47Å; F210-F221 AromaticContact CZ-CZ 3.81Å; F210-F221 HydrophobicContact CZ-CZ 3.81Å
211	N	65.1	Low	60.8	Low	85 Å²	85	52.1 Å²	52.1	46%	0.455	28%	0.279	S	S	.	.	H	α-helix	trans	-64.7	-28.5	178.9	-70.2	-10.9	0	0	0	113.2	Q207 S208 I213	Q207-N211 PolarHBondContact NE2-OD1 2.76Å; Q207-N211 VanDerWaalsContact O-CB 3.24Å; Q207-N211 WeakPolarHBondContact O-CB 3.49Å; Q207-N211 PolarHBondContact O-N 3.14Å; Q207-N211 PolarHBondContact O-ND2 2.91Å; Q207-N211 PolarHBondContact O-OD1 2.89Å; S208-N211 PolarHBondContact O-N 3.44Å; N211-I213 VanDerWaalsContact C-N 3.31Å
212	E	63.2	Low	61.6	Low	88 Å²	88	51.5 Å²	51.5	41%	0.411	28%	0.277	S	S	.	.	H	α-helix	trans	-70.5	-30	174.9	-79.4	178.4	-168.9	0	0	112.3	S208 V209 F210	S208-E212 WeakPolarHBondContact O-CG 3.32Å; S208-E212 PolarHBondContact O-N 2.97Å; V209-E212 PolarHBondContact O-N 3.15Å; F210-E212 VanDerWaalsContact C-N 3.28Å; F210-E212 PolarHBondContact O-N 3.36Å
213	I	60.8	Low	62.1	Low	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-86.1	-50.3	177.7	-57.7	160.7	0	0	0	110.2	F149 V209 F210 N211 Y215 F221 E225 L226 F229	F149-I213 HydrophobicContact CD1-CD1 3.8Å; F149-I213 HydrophobicContact CE1-CD1 3.22Å; F149-I213 HydrophobicContact CE2-CD1 4.26Å; F149-I213 HydrophobicContact CZ-CD1 3.52Å; V209-I213 HydrophobicContact CG1-CD1 4.13Å; V209-I213 WeakPolarHBondContact O-CG1 2.84Å; V209-I213 PolarHBondContact O-N 2.72Å; F210-I213 PolarHBondContact O-N 3.36Å; F210-I213 VanDerWaalsContact O-N 3.13Å; N211-I213 VanDerWaalsContact C-N 3.31Å; I213-Y215 PolarHBondContact O-N 3.21Å; I213-F221 HydrophobicContact CB-CD1 3.97Å; I213-F221 HydrophobicContact CB-CE1 3.5Å; I213-F221 HydrophobicContact CB-CZ 4Å; I213-F221 HydrophobicContact CD1-CE1 4.48Å; I213-F221 HydrophobicContact CD1-CZ 4.11Å; I213-F221 HydrophobicContact CG2-CB 4.49Å; I213-F221 HydrophobicContact CG2-CD1 3.33Å; I213-F221 HydrophobicContact CG2-CD2 4.43Å; I213-F221 HydrophobicContact CG2-CE1 3.4Å; I213-F221 HydrophobicContact CG2-CE2 4.49Å; I213-F221 HydrophobicContact CG2-CG 3.86Å; I213-F221 HydrophobicContact CG2-CZ 3.98Å; I213-E225 HydrophobicContact CG2-CB 4.47Å; I213-E225 WeakPolarHBondContact O-CG 3.45Å; I213-L226 HydrophobicContact CG2-CD2 3.66Å; I213-L226 HydrophobicContact CG2-CG 4.42Å; I213-F229 HydrophobicContact CB-CD2 4.4Å; I213-F229 HydrophobicContact CD1-CD1 4.37Å; I213-F229 HydrophobicContact CD1-CD2 4.21Å; I213-F229 HydrophobicContact CD1-CE1 4.14Å; I213-F229 HydrophobicContact CD1-CE2 3.93Å; I213-F229 HydrophobicContact CD1-CG 4.39Å; I213-F229 HydrophobicContact CD1-CZ 3.87Å; I213-F229 HydrophobicContact CG1-CB 4.25Å; I213-F229 HydrophobicContact CG1-CD1 4.11Å; I213-F229 HydrophobicContact CG1-CD2 3.29Å; I213-F229 HydrophobicContact CG1-CE1 4.22Å; I213-F229 HydrophobicContact CG1-CE2 3.4Å; I213-F229 HydrophobicContact CG1-CG 3.64Å; I213-F229 HydrophobicContact CG1-CZ 3.86Å
214	D	66.9	Low	62.6	Low	14 Å²	14	49.2 Å²	49.2	8%	0.075	27%	0.27	C	S	.	.			trans	-78.4	59.9	175.5	176.9	32.6	0	0	0	110.4	F210 N216 G217 D218 G219 F221	F210-D214 HydrophobicContact CD1-CB 3.99Å; F210-D214 HydrophobicContact CE1-CB 3.72Å; F210-D214 WeakPolarHBondContact CE1-OD2 3.42Å; F210-D214 HydrophobicContact CZ-CB 4.46Å; F210-D214 WeakPolarHBondContact O-CB 3.13Å; F210-D214 PolarHBondContact O-N 3.37Å; D214-N216 PolarHBondContact O-N 3.39Å; D214-N216 PolarHBondContact OD1-OD1 3.03Å; D214-N216 VanDerWaalsContact OD1-OD1 3.1Å; D214-G217 PolarHBondContact O-N 3.35Å; D214-G217 VanDerWaalsContact O-N 3.14Å; D214-G217 WeakPolarHBondContact OD1-CA 3.37Å; D214-G217 PolarHBondContact OD1-N 2.85Å; D214-G217 VanDerWaalsContact OD1-N 3.09Å; D214-D218 PolarHBondContact OD1-N 2.89Å; D214-D218 VanDerWaalsContact OD1-N 3.12Å; D214-G219 PolarHBondContact OD1-N 3.46Å; D214-G219 WeakPolarHBondContact OD2-CA 3.36Å; D214-G219 PolarHBondContact OD2-N 3.02Å; D214-F221 HydrophobicContact CB-CD1 4.08Å; D214-F221 HydrophobicContact CB-CE1 3.73Å
215	Y	61.3	Low	62.7	Low	70 Å²	70	43.9 Å²	43.9	28%	0.275	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.8	-176.7	69.4	-103	0	0	0	112.7	Y26 L30 I213 G217 E225	Y26-Y215 AromaticContact CE1-CD1 3.45Å; Y26-Y215 HydrophobicContact CE1-CD1 3.45Å; Y26-Y215 VanDerWaalsContact CE1-CD1 3.45Å; Y26-Y215 HydrophobicContact CE1-CD2 4.42Å; Y26-Y215 HydrophobicContact CE1-CE1 4.13Å; Y26-Y215 AromaticContact CE1-CG 3.62Å; Y26-Y215 HydrophobicContact CE1-CG 3.62Å; Y26-Y215 AromaticContact CZ-CD1 3.78Å; Y26-Y215 WeakPolarHBondContact OH-CD1 3.4Å; L30-Y215 HydrophobicContact CD1-CE1 3.79Å; L30-Y215 HydrophobicContact CD1-CE2 4.2Å; L30-Y215 VanDerWaalsContact CD1-CZ 3.48Å; L30-Y215 VanDerWaalsContact CD1-OH 3.24Å; L30-Y215 WeakPolarHBondContact CD1-OH 3.27Å; L30-Y215 HydrophobicContact CD2-CD2 3.85Å; L30-Y215 HydrophobicContact CD2-CE1 4.15Å; L30-Y215 HydrophobicContact CD2-CE2 3.24Å; L30-Y215 VanDerWaalsContact CD2-CZ 3.46Å; L30-Y215 HydrophobicContact CG-CE2 4.35Å; I213-Y215 PolarHBondContact O-N 3.21Å; Y215-G217 VanDerWaalsContact C-N 3.31Å; Y215-E225 HydrophobicContact CD1-CG 3.55Å; Y215-E225 HydrophobicContact CE1-CB 4.22Å; Y215-E225 HydrophobicContact CE1-CG 3.05Å
216	N	71.5	Confident	63	Low	73 Å²	73	44 Å²	44	39%	0.39	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-17.8	178.3	79.4	22.6	0	0	0	111.3	D214 D218 E225	D214-N216 PolarHBondContact O-N 3.39Å; D214-N216 PolarHBondContact OD1-OD1 3.03Å; D214-N216 VanDerWaalsContact OD1-OD1 3.1Å; N216-D218 VanDerWaalsContact C-N 3.35Å; N216-D218 PolarHBondContact ND2-OD2 2.73Å; N216-D218 VanDerWaalsContact ND2-OD2 3.14Å; N216-D218 VanDerWaalsContact OD1-CB 3.26Å; N216-D218 WeakPolarHBondContact OD1-CB 3.47Å; N216-D218 PolarHBondContact OD1-N 3Å; N216-D218 PolarHBondContact OD1-OD1 2.68Å; N216-D218 VanDerWaalsContact OD1-OD1 3.06Å; N216-D218 PolarHBondContact OD1-OD2 3.28Å; N216-E225 PolarHBondContact ND2-OE1 3.36Å
217	G	71.4	Confident	63.3	Low	58 Å²	58	45.1 Å²	45.1	60%	0.598	25%	0.25	S	S	*	.	S	Bend	trans	75.3	15.7	175.9	0	0	0	0	0	114.8	D214 Y215 G219	D214-G217 PolarHBondContact O-N 3.35Å; D214-G217 VanDerWaalsContact O-N 3.14Å; D214-G217 WeakPolarHBondContact OD1-CA 3.37Å; D214-G217 PolarHBondContact OD1-N 2.85Å; D214-G217 VanDerWaalsContact OD1-N 3.09Å; Y215-G217 VanDerWaalsContact C-N 3.31Å; G217-G219 VanDerWaalsContact C-N 3.29Å
218	D	73.1	Confident	63.3	Low	82 Å²	82	41 Å²	41	44%	0.439	23%	0.231	S	C	.	.	S	Bend	trans	-81.9	-12.9	176.7	74.7	12.7	0	0	0	112.2	D214 N216 I220	D214-D218 PolarHBondContact OD1-N 2.89Å; D214-D218 VanDerWaalsContact OD1-N 3.12Å; N216-D218 VanDerWaalsContact C-N 3.35Å; N216-D218 PolarHBondContact ND2-OD2 2.73Å; N216-D218 VanDerWaalsContact ND2-OD2 3.14Å; N216-D218 VanDerWaalsContact OD1-CB 3.26Å; N216-D218 WeakPolarHBondContact OD1-CB 3.47Å; N216-D218 PolarHBondContact OD1-N 3Å; N216-D218 PolarHBondContact OD1-OD1 2.68Å; N216-D218 VanDerWaalsContact OD1-OD1 3.06Å; N216-D218 PolarHBondContact OD1-OD2 3.28Å; D218-I220 VanDerWaalsContact C-N 3.3Å; D218-I220 WeakPolarHBondContact OD1-CA 3.32Å; D218-I220 WeakPolarHBondContact OD1-CB 3.3Å; D218-I220 PolarHBondContact OD1-N 3.04Å
219	G	63.3	Low	63.2	Low	5 Å²	5	39.6 Å²	39.6	5%	0.052	22%	0.221	C	C	.	.	S	Bend	trans	74.8	18.2	179.2	0	0	0	0	0	114.3	K174 D214 G217	K174-G219 WeakPolarHBondContact CD-O 3.22Å; K174-G219 WeakPolarHBondContact CE-O 3.36Å; K174-G219 WeakPolarHBondContact CG-O 3.07Å; D214-G219 PolarHBondContact OD1-N 3.46Å; D214-G219 WeakPolarHBondContact OD2-CA 3.36Å; D214-G219 PolarHBondContact OD2-N 3.02Å; G217-G219 VanDerWaalsContact C-N 3.29Å
220	I	59.7	Low	63.1	Low	64 Å²	64	40.1 Å²	40.1	33%	0.328	22%	0.224	S	C	.	.			trans	-123.5	123.5	175.6	-57.1	176.1	0	0	0	107.7	D218 T222	D218-I220 VanDerWaalsContact C-N 3.3Å; D218-I220 WeakPolarHBondContact OD1-CA 3.32Å; D218-I220 WeakPolarHBondContact OD1-CB 3.3Å; D218-I220 PolarHBondContact OD1-N 3.04Å; I220-T222 PolarHBondContact O-N 2.88Å
221	F	61.6	Low	62.9	Low	28 Å²	28	41.5 Å²	41.5	12%	0.123	23%	0.231	C	C	.	.			trans	-79.5	112.5	174.5	-57	-38.8	0	0	0	111.1	F149 F210 I213 D214 L226	F149-F221 AromaticContact CZ-CE2 4Å; F149-F221 HydrophobicContact CZ-CE2 4Å; F149-F221 HydrophobicContact CZ-CZ 4.35Å; F210-F221 HydrophobicContact CD1-CE1 4.36Å; F210-F221 HydrophobicContact CD1-CZ 4.41Å; F210-F221 AromaticContact CD2-CE1 3.97Å; F210-F221 HydrophobicContact CD2-CE1 3.97Å; F210-F221 AromaticContact CD2-CE2 4Å; F210-F221 HydrophobicContact CD2-CE2 4Å; F210-F221 AromaticContact CD2-CZ 3.24Å; F210-F221 HydrophobicContact CD2-CZ 3.24Å; F210-F221 HydrophobicContact CE1-CE1 4.19Å; F210-F221 HydrophobicContact CE1-CZ 4.38Å; F210-F221 AromaticContact CE2-CE1 3.77Å; F210-F221 HydrophobicContact CE2-CE1 3.77Å; F210-F221 AromaticContact CE2-CE2 3.71Å; F210-F221 HydrophobicContact CE2-CE2 3.71Å; F210-F221 AromaticContact CE2-CZ 3.2Å; F210-F221 HydrophobicContact CE2-CZ 3.2Å; F210-F221 HydrophobicContact CG-CE1 4.25Å; F210-F221 AromaticContact CG-CZ 3.87Å; F210-F221 HydrophobicContact CG-CZ 3.87Å; F210-F221 AromaticContact CZ-CE1 3.87Å; F210-F221 HydrophobicContact CZ-CE1 3.87Å; F210-F221 HydrophobicContact CZ-CE2 4.47Å; F210-F221 AromaticContact CZ-CZ 3.81Å; F210-F221 HydrophobicContact CZ-CZ 3.81Å; I213-F221 HydrophobicContact CB-CD1 3.97Å; I213-F221 HydrophobicContact CB-CE1 3.5Å; I213-F221 HydrophobicContact CB-CZ 4Å; I213-F221 HydrophobicContact CD1-CE1 4.48Å; I213-F221 HydrophobicContact CD1-CZ 4.11Å; I213-F221 HydrophobicContact CG2-CB 4.49Å; I213-F221 HydrophobicContact CG2-CD1 3.33Å; I213-F221 HydrophobicContact CG2-CD2 4.43Å; I213-F221 HydrophobicContact CG2-CE1 3.4Å; I213-F221 HydrophobicContact CG2-CE2 4.49Å; I213-F221 HydrophobicContact CG2-CG 3.86Å; I213-F221 HydrophobicContact CG2-CZ 3.98Å; D214-F221 HydrophobicContact CB-CD1 4.08Å; D214-F221 HydrophobicContact CB-CE1 3.73Å; F221-L226 HydrophobicContact CB-CD1 3.63Å; F221-L226 HydrophobicContact CB-CD2 3.84Å; F221-L226 HydrophobicContact CB-CG 3.71Å; F221-L226 HydrophobicContact CD2-CD2 4.04Å; F221-L226 HydrophobicContact CG-CD2 4Å; F221-L226 HydrophobicContact CG-CG 4.41Å
222	T	63	Low	62.2	Low	42 Å²	42	41.2 Å²	41.2	26%	0.258	23%	0.225	S	C	.	.			trans	-71	151.3	167.2	61.5	0	0	0	0	110.3	I220 S224 E225 L226	I220-T222 PolarHBondContact O-N 2.88Å; T222-S224 WeakPolarHBondContact CB-OG 3.26Å; T222-S224 PolarHBondContact O-N 3.45Å; T222-S224 VanDerWaalsContact O-N 3.12Å; T222-S224 PolarHBondContact OG1-OG 3.16Å; T222-E225 WeakPolarHBondContact CB-OE2 3.42Å; T222-E225 WeakPolarHBondContact CG2-OE2 3.49Å; T222-E225 PolarHBondContact N-OE2 2.87Å; T222-E225 WeakPolarHBondContact O-CB 3.26Å; T222-E225 PolarHBondContact O-N 3.1Å; T222-E225 WeakPolarHBondContact OG1-CB 3.41Å; T222-E225 VanDerWaalsContact OG1-CG 3.32Å; T222-E225 WeakPolarHBondContact OG1-CG 3.26Å; T222-E225 PolarHBondContact OG1-N 2.82Å; T222-E225 PolarHBondContact OG1-OE2 3.2Å; T222-L226 PolarHBondContact O-N 3.4Å; T222-L226 VanDerWaalsContact O-N 3.08Å
223	P	58.9	Low	61.6	Low	57 Å²	57	37.6 Å²	37.6	37%	0.37	21%	0.209	S	C	.	.	H	α-helix	trans	-49.5	-37.7	169	-28.4	34.8	0	0	0	112.6	F157 Y167 L226 E227	F157-P223 HydrophobicContact CE1-CB 4.48Å; Y167-P223 HydrophobicContact CD1-CG 4.39Å; Y167-P223 HydrophobicContact CE1-CG 3.52Å; P223-L226 PolarHBondContact O-N 3.41Å; P223-E227 VanDerWaalsContact O-CB 3.22Å; P223-E227 WeakPolarHBondContact O-CB 3.46Å; P223-E227 PolarHBondContact O-N 2.97Å
224	S	63.6	Low	60.9	Low	42 Å²	42	41.9 Å²	41.9	29%	0.294	23%	0.229	S	C	.	.	H	α-helix	trans	-65.6	-43	176.6	42	0	0	0	0	113.6	T222 L226 E227 I228	T222-S224 WeakPolarHBondContact CB-OG 3.26Å; T222-S224 PolarHBondContact O-N 3.45Å; T222-S224 VanDerWaalsContact O-N 3.12Å; T222-S224 PolarHBondContact OG1-OG 3.16Å; S224-L226 VanDerWaalsContact C-N 3.31Å; S224-L226 PolarHBondContact O-N 3.23Å; S224-E227 PolarHBondContact O-N 3.33Å; S224-I228 WeakPolarHBondContact O-CB 3.28Å; S224-I228 VanDerWaalsContact O-CD1 3.29Å; S224-I228 WeakPolarHBondContact O-CD1 3.37Å; S224-I228 WeakPolarHBondContact O-CG1 3.26Å; S224-I228 PolarHBondContact O-N 3.19Å
225	E	62.8	Low	59.2	Low	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-45.7	176	-87	152.9	169.5	0	0	111.5	I213 Y215 N216 T222 I228 F229	I213-E225 HydrophobicContact CG2-CB 4.47Å; I213-E225 WeakPolarHBondContact O-CG 3.45Å; Y215-E225 HydrophobicContact CD1-CG 3.55Å; Y215-E225 HydrophobicContact CE1-CB 4.22Å; Y215-E225 HydrophobicContact CE1-CG 3.05Å; N216-E225 PolarHBondContact ND2-OE1 3.36Å; T222-E225 WeakPolarHBondContact CB-OE2 3.42Å; T222-E225 WeakPolarHBondContact CG2-OE2 3.49Å; T222-E225 PolarHBondContact N-OE2 2.87Å; T222-E225 WeakPolarHBondContact O-CB 3.26Å; T222-E225 PolarHBondContact O-N 3.1Å; T222-E225 WeakPolarHBondContact OG1-CB 3.41Å; T222-E225 VanDerWaalsContact OG1-CG 3.32Å; T222-E225 WeakPolarHBondContact OG1-CG 3.26Å; T222-E225 PolarHBondContact OG1-N 2.82Å; T222-E225 PolarHBondContact OG1-OE2 3.2Å; E225-I228 PolarHBondContact O-N 2.77Å; E225-F229 VanDerWaalsContact O-CB 3.28Å; E225-F229 WeakPolarHBondContact O-CB 3.26Å; E225-F229 PolarHBondContact O-N 3.03Å
226	L	59.6	Low	57.7	Low	3 Å²	3	43 Å²	43	2%	0.016	24%	0.238	C	C	.	.	H	α-helix	trans	-68.9	-43	179.6	-65.3	166	0	0	0	111.5	L153 F157 I213 F221 T222 P223 S224 I228 F229 L230	L153-L226 HydrophobicContact CD1-CD2 3.51Å; L153-L226 HydrophobicContact CD2-CD2 3.68Å; L153-L226 HydrophobicContact CG-CD2 4.21Å; F157-L226 HydrophobicContact CE2-CB 3.48Å; F157-L226 VanDerWaalsContact CE2-CB 3.48Å; F157-L226 HydrophobicContact CE2-CD1 3.57Å; F157-L226 HydrophobicContact CE2-CG 4.03Å; F157-L226 HydrophobicContact CZ-CB 3.49Å; F157-L226 VanDerWaalsContact CZ-CB 3.49Å; F157-L226 HydrophobicContact CZ-CD1 3.42Å; F157-L226 VanDerWaalsContact CZ-CD1 3.42Å; F157-L226 HydrophobicContact CZ-CG 4.05Å; I213-L226 HydrophobicContact CG2-CD2 3.66Å; I213-L226 HydrophobicContact CG2-CG 4.42Å; F221-L226 HydrophobicContact CB-CD1 3.63Å; F221-L226 HydrophobicContact CB-CD2 3.84Å; F221-L226 HydrophobicContact CB-CG 3.71Å; F221-L226 HydrophobicContact CD2-CD2 4.04Å; F221-L226 HydrophobicContact CG-CD2 4Å; F221-L226 HydrophobicContact CG-CG 4.41Å; T222-L226 PolarHBondContact O-N 3.4Å; T222-L226 VanDerWaalsContact O-N 3.08Å; P223-L226 PolarHBondContact O-N 3.41Å; S224-L226 VanDerWaalsContact C-N 3.31Å; S224-L226 PolarHBondContact O-N 3.23Å; L226-I228 VanDerWaalsContact C-N 3.34Å; L226-I228 PolarHBondContact O-N 3.06Å; L226-F229 PolarHBondContact O-N 3.13Å; L226-L230 VanDerWaalsContact O-CB 3.28Å; L226-L230 WeakPolarHBondContact O-CB 3.32Å; L226-L230 WeakPolarHBondContact O-CG 3.15Å; L226-L230 PolarHBondContact O-N 3.46Å
227	E	59.5	Low	55.7	Low	68 Å²	68	44.5 Å²	44.5	32%	0.318	25%	0.245	S	C	.	.	H	α-helix	trans	-63.1	-41.4	176.3	-170.3	-176	169.6	0	0	111.1	F33 Q37 P223 S224 L230 Q231	F33-E227 HydrophobicContact CE2-CG 4.28Å; F33-E227 HydrophobicContact CZ-CB 4.19Å; F33-E227 HydrophobicContact CZ-CG 4.04Å; F33-E227 WeakPolarHBondContact CZ-OE2 3.47Å; Q37-E227 PolarHBondContact NE2-OE1 3.01Å; Q37-E227 PolarHBondContact NE2-OE2 3.42Å; Q37-E227 VanDerWaalsContact NE2-OE2 3.13Å; P223-E227 VanDerWaalsContact O-CB 3.22Å; P223-E227 WeakPolarHBondContact O-CB 3.46Å; P223-E227 PolarHBondContact O-N 2.97Å; S224-E227 PolarHBondContact O-N 3.33Å; E227-L230 PolarHBondContact O-N 2.87Å; E227-Q231 HydrophobicContact CG-CG 4.45Å; E227-Q231 VanDerWaalsContact O-CB 3.29Å; E227-Q231 WeakPolarHBondContact O-CB 3.43Å; E227-Q231 VanDerWaalsContact O-CG 3.28Å; E227-Q231 WeakPolarHBondContact O-CG 3.49Å; E227-Q231 PolarHBondContact O-N 3.18Å; E227-Q231 PolarHBondContact OE1-NE2 2.9Å
228	I	61	Low	54.9	Low	5 Å²	5	43.8 Å²	43.8	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-46.2	175.1	-72	160.7	0	0	0	110.6	Y26 L30 F33 S224 E225 L226 Q231 F232	Y26-I228 HydrophobicContact CE2-CG2 3.71Å; Y26-I228 WeakPolarHBondContact OH-CG2 3.46Å; L30-I228 HydrophobicContact CD1-CD1 3.29Å; F33-I228 HydrophobicContact CB-CD1 4.26Å; F33-I228 HydrophobicContact CB-CG1 4.18Å; F33-I228 HydrophobicContact CD1-CD1 3.4Å; F33-I228 HydrophobicContact CD1-CG1 3.47Å; F33-I228 VanDerWaalsContact CD1-CG1 3.47Å; F33-I228 HydrophobicContact CD2-CG1 3.98Å; F33-I228 HydrophobicContact CE1-CD1 3.8Å; F33-I228 HydrophobicContact CE1-CG1 3.67Å; F33-I228 HydrophobicContact CE2-CG1 4.17Å; F33-I228 HydrophobicContact CG-CD1 3.91Å; F33-I228 HydrophobicContact CG-CG1 3.6Å; F33-I228 HydrophobicContact CZ-CG1 4Å; S224-I228 WeakPolarHBondContact O-CB 3.28Å; S224-I228 VanDerWaalsContact O-CD1 3.29Å; S224-I228 WeakPolarHBondContact O-CD1 3.37Å; S224-I228 WeakPolarHBondContact O-CG1 3.26Å; S224-I228 PolarHBondContact O-N 3.19Å; E225-I228 PolarHBondContact O-N 2.77Å; L226-I228 VanDerWaalsContact C-N 3.34Å; L226-I228 PolarHBondContact O-N 3.06Å; I228-Q231 PolarHBondContact O-N 3.5Å; I228-F232 VanDerWaalsContact O-CB 3.24Å; I228-F232 WeakPolarHBondContact O-CB 3.43Å; I228-F232 PolarHBondContact O-N 3.41Å
229	F	59.8	Low	54	Low	2 Å²	2	41.8 Å²	41.8	1%	0.009	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-48.8	177	175.9	-92.8	0	0	0	111	L146 F149 L153 V209 I213 E225 L226 F232 H233	L146-F229 HydrophobicContact CD1-CE1 4.42Å; L146-F229 HydrophobicContact CD1-CE2 3.45Å; L146-F229 VanDerWaalsContact CD1-CE2 3.45Å; L146-F229 HydrophobicContact CD1-CZ 3.26Å; L146-F229 HydrophobicContact CG-CE2 4.45Å; L146-F229 HydrophobicContact CG-CZ 3.98Å; F149-F229 HydrophobicContact CD1-CE1 4.17Å; L153-F229 HydrophobicContact CD1-CD1 4.14Å; L153-F229 HydrophobicContact CD1-CE1 4.31Å; V209-F229 HydrophobicContact CG1-CZ 4.44Å; I213-F229 HydrophobicContact CB-CD2 4.4Å; I213-F229 HydrophobicContact CD1-CD1 4.37Å; I213-F229 HydrophobicContact CD1-CD2 4.21Å; I213-F229 HydrophobicContact CD1-CE1 4.14Å; I213-F229 HydrophobicContact CD1-CE2 3.93Å; I213-F229 HydrophobicContact CD1-CG 4.39Å; I213-F229 HydrophobicContact CD1-CZ 3.87Å; I213-F229 HydrophobicContact CG1-CB 4.25Å; I213-F229 HydrophobicContact CG1-CD1 4.11Å; I213-F229 HydrophobicContact CG1-CD2 3.29Å; I213-F229 HydrophobicContact CG1-CE1 4.22Å; I213-F229 HydrophobicContact CG1-CE2 3.4Å; I213-F229 HydrophobicContact CG1-CG 3.64Å; I213-F229 HydrophobicContact CG1-CZ 3.86Å; E225-F229 VanDerWaalsContact O-CB 3.28Å; E225-F229 WeakPolarHBondContact O-CB 3.26Å; E225-F229 PolarHBondContact O-N 3.03Å; L226-F229 PolarHBondContact O-N 3.13Å; F229-F232 PolarHBondContact O-N 3.07Å; F229-H233 AromaticContact CD1-ND1 3.9Å; F229-H233 AromaticContact CD2-CE1 3.37Å; F229-H233 WeakPolarHBondContact CD2-CE1 3.02Å; F229-H233 AromaticContact CD2-ND1 3.42Å; F229-H233 WeakPolarHBondContact CD2-ND1 3.28Å; F229-H233 AromaticContact CE1-ND1 3.94Å; F229-H233 AromaticContact CE2-CE1 3.31Å; F229-H233 WeakPolarHBondContact CE2-CE1 3.45Å; F229-H233 AromaticContact CE2-ND1 3.5Å; F229-H233 AromaticContact CG-ND1 3.67Å; F229-H233 AromaticContact CZ-CE1 3.95Å; F229-H233 AromaticContact CZ-ND1 3.77Å; F229-H233 WeakPolarHBondContact O-CB 3.44Å; F229-H233 PolarHBondContact O-N 3.35Å; F229-H233 PolarHBondContact O-ND1 2.97Å
230	L	57.4	Low	53.4	Low	20 Å²	20	43.8 Å²	43.8	11%	0.105	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-48.2	177.3	-71.6	172	0	0	0	110.7	Q150 L153 F157 L226 E227 F232 H233 E234	Q150-L230 HydrophobicContact CB-CD2 3.69Å; Q150-L230 HydrophobicContact CG-CD2 3.39Å; Q150-L230 PolarHBondContact NE2-O 2.95Å; L153-L230 HydrophobicContact CB-CD2 4.14Å; L153-L230 HydrophobicContact CD1-CD2 4.13Å; L153-L230 HydrophobicContact CD1-CG 4.31Å; F157-L230 HydrophobicContact CD2-CD1 4.03Å; F157-L230 HydrophobicContact CE2-CD1 4.24Å; L226-L230 VanDerWaalsContact O-CB 3.28Å; L226-L230 WeakPolarHBondContact O-CB 3.32Å; L226-L230 WeakPolarHBondContact O-CG 3.15Å; L226-L230 PolarHBondContact O-N 3.46Å; E227-L230 PolarHBondContact O-N 2.87Å; L230-F232 PolarHBondContact O-N 3.09Å; L230-H233 CarbonylContact O-C 3.6Å; L230-H233 PolarHBondContact O-N 2.87Å; L230-E234 VanDerWaalsContact O-CB 3.28Å; L230-E234 WeakPolarHBondContact O-CB 3.07Å; L230-E234 PolarHBondContact O-N 3.29Å
231	Q	56.9	Low	53.1	Low	66 Å²	66	42.6 Å²	42.6	31%	0.308	22%	0.22	S	C	.	.	H	α-helix	trans	-62.8	-42.6	177.6	-76	179.4	14.2	0	0	112	E227 I228 H233 I235	E227-Q231 HydrophobicContact CG-CG 4.45Å; E227-Q231 VanDerWaalsContact O-CB 3.29Å; E227-Q231 WeakPolarHBondContact O-CB 3.43Å; E227-Q231 VanDerWaalsContact O-CG 3.28Å; E227-Q231 WeakPolarHBondContact O-CG 3.49Å; E227-Q231 PolarHBondContact O-N 3.18Å; E227-Q231 PolarHBondContact OE1-NE2 2.9Å; I228-Q231 PolarHBondContact O-N 3.5Å; Q231-H233 PolarHBondContact O-N 3Å; Q231-I235 WeakPolarHBondContact O-CD1 3.28Å; Q231-I235 WeakPolarHBondContact O-CG1 3.19Å; Q231-I235 PolarHBondContact O-N 3.32Å
232	F	52.2	Low	52.6	Low	78 Å²	78	43.6 Å²	43.6	34%	0.342	23%	0.226	S	C	.	.	H	α-helix	trans	-60	-37.4	177.6	-169.3	-98.2	0	0	0	111	I228 F229 L230 M236	I228-F232 VanDerWaalsContact O-CB 3.24Å; I228-F232 WeakPolarHBondContact O-CB 3.43Å; I228-F232 PolarHBondContact O-N 3.41Å; F229-F232 PolarHBondContact O-N 3.07Å; L230-F232 PolarHBondContact O-N 3.09Å; F232-M236 HydrophobicContact CE1-CE 4.38Å; F232-M236 HydrophobicContact CE1-SD 4.44Å; F232-M236 WeakPolarHBondContact O-CG 3.18Å
233	H	50.3	Low	51.9	Low	13 Å²	13	43.7 Å²	43.7	6%	0.06	22%	0.224	C	C	.	.	H	α-helix	trans	-93	-29.3	-176.1	-64.7	104.2	0	0	0	115.7	L146 Q150 F229 L230 Q231 I235 M236 L237	L146-H233 WeakPolarHBondContact CD2-CD2 3.27Å; L146-H233 VanDerWaalsContact CD2-NE2 3.27Å; L146-H233 WeakPolarHBondContact CD2-NE2 3.18Å; Q150-H233 VanDerWaalsContact OE1-CB 3.29Å; F229-H233 AromaticContact CD1-ND1 3.9Å; F229-H233 AromaticContact CD2-CE1 3.37Å; F229-H233 WeakPolarHBondContact CD2-CE1 3.02Å; F229-H233 AromaticContact CD2-ND1 3.42Å; F229-H233 WeakPolarHBondContact CD2-ND1 3.28Å; F229-H233 AromaticContact CE1-ND1 3.94Å; F229-H233 AromaticContact CE2-CE1 3.31Å; F229-H233 WeakPolarHBondContact CE2-CE1 3.45Å; F229-H233 AromaticContact CE2-ND1 3.5Å; F229-H233 AromaticContact CG-ND1 3.67Å; F229-H233 AromaticContact CZ-CE1 3.95Å; F229-H233 AromaticContact CZ-ND1 3.77Å; F229-H233 WeakPolarHBondContact O-CB 3.44Å; F229-H233 PolarHBondContact O-N 3.35Å; F229-H233 PolarHBondContact O-ND1 2.97Å; L230-H233 CarbonylContact O-C 3.6Å; L230-H233 PolarHBondContact O-N 2.87Å; Q231-H233 PolarHBondContact O-N 3Å; H233-I235 PolarHBondContact O-N 3Å; H233-M236 WeakPolarHBondContact O-CA 3.11Å; H233-M236 WeakPolarHBondContact O-CB 3.39Å; H233-M236 PolarHBondContact O-N 3.15Å; H233-L237 PolarHBondContact O-N 3.48Å
234	E	44.8	Very low	51.4	Low	89 Å²	89	42.7 Å²	42.7	42%	0.416	21%	0.213	S	C	.	.	H	α-helix	trans	-65.6	-31.9	171.4	-117.1	167.3	-161.1	0	0	110.4	Q150 K154 L230 M236	Q150-E234 VanDerWaalsContact NE2-CG 3.29Å; K154-E234 IonicContact NZ-OE1 2.7Å; K154-E234 PolarHBondContact NZ-OE1 3.29Å; L230-E234 VanDerWaalsContact O-CB 3.28Å; L230-E234 WeakPolarHBondContact O-CB 3.07Å; L230-E234 PolarHBondContact O-N 3.29Å; E234-M236 PolarHBondContact O-N 3.34Å
235	I	32.3	Very low	50.4	Low	81 Å²	81	42.8 Å²	42.8	42%	0.415	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-1.1	173.3	-43.3	161.7	0	0	0	111	L87 N89 Q231 H233	L87-I235 HydrophobicContact CD2-CG2 4.39Å; N89-I235 HydrophobicContact CB-CG2 3.69Å; N89-I235 VanDerWaalsContact CG-CG2 3.47Å; N89-I235 VanDerWaalsContact ND2-CB 3.25Å; N89-I235 WeakPolarHBondContact ND2-CB 3.5Å; N89-I235 WeakPolarHBondContact ND2-CG2 2.94Å; N89-I235 PolarHBondContact ND2-O 3.03Å; Q231-I235 WeakPolarHBondContact O-CD1 3.28Å; Q231-I235 WeakPolarHBondContact O-CG1 3.19Å; Q231-I235 PolarHBondContact O-N 3.32Å; H233-I235 PolarHBondContact O-N 3Å
236	M	29.2	Very low	49.4	Very low	27 Å²	27	46.3 Å²	46.3	13%	0.133	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-1.1	174.5	-69.5	-122.3	-75.2	0	0	113.8	S91 F92 I95 L143 L146 F232 H233 E234	S91-M236 WeakPolarHBondContact CB-SD 3.09Å; F92-M236 WeakPolarHBondContact CD2-O 3.32Å; F92-M236 WeakPolarHBondContact CE2-O 3.36Å; F92-M236 WeakPolarHBondContact CZ-O 3.15Å; I95-M236 HydrophobicContact CD1-CE 4.45Å; I95-M236 HydrophobicContact CD1-SD 4.47Å; L143-M236 HydrophobicContact CD2-CE 4.42Å; L146-M236 HydrophobicContact CD2-CE 4.48Å; F232-M236 HydrophobicContact CE1-CE 4.38Å; F232-M236 HydrophobicContact CE1-SD 4.44Å; F232-M236 WeakPolarHBondContact O-CG 3.18Å; H233-M236 WeakPolarHBondContact O-CA 3.11Å; H233-M236 WeakPolarHBondContact O-CB 3.39Å; H233-M236 PolarHBondContact O-N 3.15Å; E234-M236 PolarHBondContact O-N 3.34Å
237	L	29.6	Very low	48.5	Very low	104 Å²	104	50.3 Å²	50.3	55%	0.545	24%	0.243	S	C	.	.			trans	-116.4	0	175.1	-70.3	162.9	0	0	0	111.1	L87 F92 Y147 H233	L87-L237 WeakPolarHBondContact CD1-O 3.35Å; L87-L237 VanDerWaalsContact CD1-OXT 3.26Å; L87-L237 WeakPolarHBondContact CD1-OXT 3.45Å; F92-L237 VanDerWaalsContact CE2-C 3.45Å; F92-L237 WeakPolarHBondContact CE2-O 3.31Å; F92-L237 WeakPolarHBondContact CZ-O 3.21Å; Y147-L237 HydrophobicContact CD2-CD1 3.12Å; Y147-L237 HydrophobicContact CD2-CG 4.42Å; Y147-L237 HydrophobicContact CE2-CD1 3.5Å; Y147-L237 HydrophobicContact CG-CD1 4.1Å; H233-L237 PolarHBondContact O-N 3.48Å

Retrieved 237 of 237 residues in 130.4 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).