A0A077ZB35_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZB35, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 222 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	32.1	Very low	226 Å²	226	94.6 Å²	94.6	100%	1.113	49%	0.489	S	S	*	.				0	-25.7	0	-68.5	-176.5	-152.8	0	0	114.8	T3	M1-T3 VanDerWaalsContact C-N 3.27Å; M1-T3 PolarHBondContact O-N 3Å
2	A	30.6	Very low	32.2	Very low	65 Å²	65	92.1 Å²	92.1	54%	0.537	48%	0.484	S	S	.	.	H	α-helix	trans	-62.6	-27.5	177.7	0	0	0	0	0	114.6	G4 F5 Y6	A2-G4 PolarHBondContact O-N 3.11Å; A2-F5 PolarHBondContact O-N 2.85Å; A2-Y6 HydrophobicContact CB-CD2 4.34Å; A2-Y6 HydrophobicContact CB-CE2 4.13Å; A2-Y6 WeakPolarHBondContact O-CD2 3.49Å; A2-Y6 PolarHBondContact O-N 3.25Å
3	T	31.2	Very low	33	Very low	100 Å²	100	85.6 Å²	85.6	61%	0.613	45%	0.449	S	S	*	.	H	α-helix	trans	-63.4	-38.6	-177.8	41.9	0	0	0	0	114.2	M1 Q7	M1-T3 VanDerWaalsContact C-N 3.27Å; M1-T3 PolarHBondContact O-N 3Å; T3-Q7 WeakPolarHBondContact O-CB 3.4Å; T3-Q7 VanDerWaalsContact O-CG 3.23Å; T3-Q7 WeakPolarHBondContact O-CG 3.25Å; T3-Q7 PolarHBondContact O-N 3.16Å
4	G	28	Very low	34	Very low	36 Å²	36	81.8 Å²	81.8	37%	0.371	43%	0.429	S	S	.	.	H	α-helix	trans	-69.3	-35.3	179.2	0	0	0	0	0	113.6	A2 S8	A2-G4 PolarHBondContact O-N 3.11Å; G4-S8 PolarHBondContact O-N 2.89Å; G4-S8 VanDerWaalsContact O-N 3.11Å; G4-S8 PolarHBondContact O-OG 3.05Å
5	F	28.4	Very low	34.6	Very low	104 Å²	104	79.9 Å²	79.9	46%	0.456	43%	0.43	S	S	.	.	H	α-helix	trans	-67.8	-49	175.5	-176.2	-105.6	0	0	0	111.1	A2 Q7 S8 L9 K77	A2-F5 PolarHBondContact O-N 2.85Å; F5-Q7 VanDerWaalsContact C-N 3.31Å; F5-Q7 PolarHBondContact O-N 3.3Å; F5-S8 PolarHBondContact O-N 3.45Å; F5-S8 VanDerWaalsContact O-N 3.16Å; F5-L9 HydrophobicContact CD1-CD1 3.77Å; F5-L9 HydrophobicContact CD1-CG 4.25Å; F5-L9 HydrophobicContact CE1-CD1 3.35Å; F5-L9 HydrophobicContact CE1-CG 4.05Å; F5-L9 HydrophobicContact CZ-CD1 3.87Å; F5-L9 HydrophobicContact CZ-CD2 4.25Å; F5-L9 HydrophobicContact CZ-CG 4.23Å; F5-L9 WeakPolarHBondContact O-CG 3.43Å; F5-L9 PolarHBondContact O-N 3.46Å; F5-K77 HydrophobicContact CE1-CB 4.49Å
6	Y	29	Very low	35.1	Very low	128 Å²	128	76.5 Å²	76.5	50%	0.502	41%	0.414	S	S	.	.	H	α-helix	trans	-60.2	-38.9	175.5	-74.6	-65.7	0	0	0	112.7	A2 S8 L9 H10	A2-Y6 HydrophobicContact CB-CD2 4.34Å; A2-Y6 HydrophobicContact CB-CE2 4.13Å; A2-Y6 WeakPolarHBondContact O-CD2 3.49Å; A2-Y6 PolarHBondContact O-N 3.25Å; Y6-S8 VanDerWaalsContact C-N 3.35Å; Y6-S8 PolarHBondContact O-N 3.06Å; Y6-L9 PolarHBondContact O-N 3Å; Y6-H10 WeakPolarHBondContact O-CB 3.48Å; Y6-H10 PolarHBondContact O-N 3.25Å
7	Q	31.7	Very low	35.7	Very low	111 Å²	111	72 Å²	72	52%	0.519	39%	0.39	S	S	.	.	H	α-helix	trans	-63.3	-39.4	175.7	-77.3	177.5	6.6	0	0	112.5	T3 F5 R11	T3-Q7 WeakPolarHBondContact O-CB 3.4Å; T3-Q7 VanDerWaalsContact O-CG 3.23Å; T3-Q7 WeakPolarHBondContact O-CG 3.25Å; T3-Q7 PolarHBondContact O-N 3.16Å; F5-Q7 VanDerWaalsContact C-N 3.31Å; F5-Q7 PolarHBondContact O-N 3.3Å; Q7-R11 VanDerWaalsContact O-CG 3.25Å; Q7-R11 WeakPolarHBondContact O-CG 3.43Å; Q7-R11 PolarHBondContact O-N 3.28Å
8	S	30.3	Very low	36.4	Very low	68 Å²	68	70 Å²	70	48%	0.476	38%	0.381	S	S	.	.	H	α-helix	trans	-69.9	-40.1	177.9	-58.9	0	0	0	0	112.2	G4 F5 Y6 R11 C12	G4-S8 PolarHBondContact O-N 2.89Å; G4-S8 VanDerWaalsContact O-N 3.11Å; G4-S8 PolarHBondContact O-OG 3.05Å; F5-S8 PolarHBondContact O-N 3.45Å; F5-S8 VanDerWaalsContact O-N 3.16Å; Y6-S8 VanDerWaalsContact C-N 3.35Å; Y6-S8 PolarHBondContact O-N 3.06Å; S8-R11 PolarHBondContact O-N 2.92Å; S8-C12 PolarHBondContact O-N 3.15Å; S8-C12 PolarHBondContact O-SG 2.76Å; S8-C12 VanDerWaalsContact O-SG 3.36Å
9	L	31.4	Very low	37	Very low	6 Å²	6	71.1 Å²	71.1	3%	0.031	39%	0.386	C	S	.	.	H	α-helix	trans	-63	-44.6	173.9	-68.8	-171.4	0	0	0	112.2	F5 Y6 C12 W13 R78	F5-L9 HydrophobicContact CD1-CD1 3.77Å; F5-L9 HydrophobicContact CD1-CG 4.25Å; F5-L9 HydrophobicContact CE1-CD1 3.35Å; F5-L9 HydrophobicContact CE1-CG 4.05Å; F5-L9 HydrophobicContact CZ-CD1 3.87Å; F5-L9 HydrophobicContact CZ-CD2 4.25Å; F5-L9 HydrophobicContact CZ-CG 4.23Å; F5-L9 WeakPolarHBondContact O-CG 3.43Å; F5-L9 PolarHBondContact O-N 3.46Å; Y6-L9 PolarHBondContact O-N 3Å; L9-C12 PolarHBondContact O-N 2.86Å; L9-W13 PolarHBondContact O-N 3.24Å; L9-W13 VanDerWaalsContact O-N 3.17Å; L9-R78 HydrophobicContact CD2-CB 3.72Å; L9-R78 VanDerWaalsContact CD2-CD 3.41Å; L9-R78 HydrophobicContact CD2-CG 3.23Å
10	H	40.8	Very low	37.5	Very low	21 Å²	21	68.5 Å²	68.5	10%	0.097	37%	0.372	C	S	.	.	H	α-helix	trans	-63.9	-40.3	178	178.1	-116.8	0	0	0	111.8	Y6 C12 W13 L14 K40 S43	Y6-H10 WeakPolarHBondContact O-CB 3.48Å; Y6-H10 PolarHBondContact O-N 3.25Å; H10-C12 PolarHBondContact O-N 2.67Å; H10-W13 PolarHBondContact O-N 3.47Å; H10-L14 VanDerWaalsContact CE1-CD1 3.45Å; H10-L14 WeakPolarHBondContact CE1-CD1 3.3Å; H10-L14 VanDerWaalsContact O-CB 3.32Å; H10-L14 WeakPolarHBondContact O-CB 3.25Å; H10-L14 VanDerWaalsContact O-CG 3.23Å; H10-L14 WeakPolarHBondContact O-CG 3.16Å; H10-L14 PolarHBondContact O-N 3.08Å; H10-K40 WeakPolarHBondContact NE2-CG 3.05Å; H10-S43 PolarHBondContact CD2-OG 2.79Å; H10-S43 PolarHBondContact NE2-OG 3.46Å
11	R	40.4	Very low	37.9	Very low	176 Å²	176	65.2 Å²	65.2	66%	0.664	35%	0.354	S	S	*	.	H	α-helix	trans	-61.4	-43.2	174.8	-75.9	174	-174.3	-169.5	3.2	112.8	Q7 S8 L14 A15	Q7-R11 VanDerWaalsContact O-CG 3.25Å; Q7-R11 WeakPolarHBondContact O-CG 3.43Å; Q7-R11 PolarHBondContact O-N 3.28Å; S8-R11 PolarHBondContact O-N 2.92Å; R11-L14 PolarHBondContact O-N 3.24Å; R11-A15 WeakPolarHBondContact O-CB 3.42Å; R11-A15 PolarHBondContact O-N 2.84Å
12	C	33.1	Very low	38.9	Very low	64 Å²	64	58.4 Å²	58.4	43%	0.432	32%	0.322	S	S	.	.	H	α-helix	trans	-66.6	-41.2	180	-66.5	0	0	0	0	112.6	S8 L9 H10 A15 S16	S8-C12 PolarHBondContact O-N 3.15Å; S8-C12 PolarHBondContact O-SG 2.76Å; S8-C12 VanDerWaalsContact O-SG 3.36Å; L9-C12 PolarHBondContact O-N 2.86Å; H10-C12 PolarHBondContact O-N 2.67Å; C12-A15 PolarHBondContact O-N 2.84Å; C12-S16 PolarHBondContact O-N 3.49Å; C12-S16 VanDerWaalsContact O-N 3.11Å; C12-S16 PolarHBondContact O-OG 3.24Å
13	W	42.7	Very low	39.9	Very low	8 Å²	8	65.8 Å²	65.8	3%	0.03	34%	0.336	C	S	.	.	H	α-helix	trans	-65.6	-45.6	176.2	179.4	86.6	0	0	0	111.7	L9 H10 A15 S16 I17 I39 S43 L46 L79	L9-W13 PolarHBondContact O-N 3.24Å; L9-W13 VanDerWaalsContact O-N 3.17Å; H10-W13 PolarHBondContact O-N 3.47Å; W13-A15 VanDerWaalsContact C-N 3.33Å; W13-A15 PolarHBondContact O-N 3.32Å; W13-S16 PolarHBondContact O-N 2.89Å; W13-I17 HydrophobicContact CD2-CD1 3.56Å; W13-I17 HydrophobicContact CE3-CD1 3.95Å; W13-I17 HydrophobicContact CG-CD1 4.25Å; W13-I17 HydrophobicContact CH2-CD1 3.5Å; W13-I17 VanDerWaalsContact CH2-CD1 3.5Å; W13-I17 HydrophobicContact CZ2-CD1 3.07Å; W13-I17 HydrophobicContact CZ3-CD1 3.89Å; W13-I17 PolarHBondContact O-N 3.44Å; W13-I39 HydrophobicContact CE3-CG2 4.45Å; W13-I39 HydrophobicContact CH2-CB 4.36Å; W13-I39 HydrophobicContact CH2-CG2 3.34Å; W13-I39 WeakPolarHBondContact CH2-O 3.22Å; W13-I39 HydrophobicContact CZ2-CG2 4.43Å; W13-I39 HydrophobicContact CZ3-CG2 3.33Å; W13-I39 VanDerWaalsContact CZ3-O 3.31Å; W13-I39 WeakPolarHBondContact CZ3-O 3.07Å; W13-S43 VanDerWaalsContact CH2-CA 3.47Å; W13-S43 WeakPolarHBondContact CH2-OG 3.44Å; W13-S43 WeakPolarHBondContact CZ3-OG 3.14Å; W13-L46 HydrophobicContact CZ2-CD1 4.26Å; W13-L79 HydrophobicContact CG-CB 4.11Å
14	L	46.5	Very low	40.5	Very low	32 Å²	32	65.1 Å²	65.1	17%	0.168	33%	0.332	C	S	.	.	H	α-helix	trans	-58.4	-45.1	175.3	-78.4	173.8	0	0	0	111.3	H10 R11 S16 I17 T18 K40	H10-L14 VanDerWaalsContact CE1-CD1 3.45Å; H10-L14 WeakPolarHBondContact CE1-CD1 3.3Å; H10-L14 VanDerWaalsContact O-CB 3.32Å; H10-L14 WeakPolarHBondContact O-CB 3.25Å; H10-L14 VanDerWaalsContact O-CG 3.23Å; H10-L14 WeakPolarHBondContact O-CG 3.16Å; H10-L14 PolarHBondContact O-N 3.08Å; R11-L14 PolarHBondContact O-N 3.24Å; L14-S16 VanDerWaalsContact C-N 3.33Å; L14-S16 PolarHBondContact O-N 2.97Å; L14-I17 PolarHBondContact O-N 2.98Å; L14-T18 WeakPolarHBondContact O-CB 3.4Å; L14-T18 PolarHBondContact O-N 3.31Å; L14-T18 PolarHBondContact O-OG1 3.42Å; L14-K40 HydrophobicContact CD1-CD 4.47Å; L14-K40 HydrophobicContact CD1-CG 4.18Å; L14-K40 HydrophobicContact CD2-CB 3.84Å; L14-K40 HydrophobicContact CD2-CG 4.14Å
15	A	43.5	Very low	41.3	Very low	53 Å²	53	64.1 Å²	64.1	44%	0.438	32%	0.318	S	S	.	.	H	α-helix	trans	-60.8	-42.6	177.7	0	0	0	0	0	112.2	R11 C12 W13 T18 N19	R11-A15 WeakPolarHBondContact O-CB 3.42Å; R11-A15 PolarHBondContact O-N 2.84Å; C12-A15 PolarHBondContact O-N 2.84Å; W13-A15 VanDerWaalsContact C-N 3.33Å; W13-A15 PolarHBondContact O-N 3.32Å; A15-T18 PolarHBondContact O-N 2.83Å; A15-N19 PolarHBondContact O-N 3.19Å
16	S	42.8	Very low	42.5	Very low	26 Å²	26	71 Å²	71	18%	0.182	34%	0.341	C	S	.	.	H	α-helix	trans	-63.7	-49.9	180	-58.3	0	0	0	0	111.3	C12 W13 L14 N19 I20	C12-S16 PolarHBondContact O-N 3.49Å; C12-S16 VanDerWaalsContact O-N 3.11Å; C12-S16 PolarHBondContact O-OG 3.24Å; W13-S16 PolarHBondContact O-N 2.89Å; L14-S16 VanDerWaalsContact C-N 3.33Å; L14-S16 PolarHBondContact O-N 2.97Å; S16-N19 PolarHBondContact O-N 3.13Å; S16-I20 WeakPolarHBondContact O-CG1 3.42Å; S16-I20 PolarHBondContact O-N 3.42Å; S16-I20 VanDerWaalsContact O-N 3.17Å
17	I	44.8	Very low	43.7	Very low	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-71.5	-34.1	-179.9	-70.3	175.6	0	0	0	112.1	W13 L14 N19 I20 I21 I39 I68 A81	W13-I17 HydrophobicContact CD2-CD1 3.56Å; W13-I17 HydrophobicContact CE3-CD1 3.95Å; W13-I17 HydrophobicContact CG-CD1 4.25Å; W13-I17 HydrophobicContact CH2-CD1 3.5Å; W13-I17 VanDerWaalsContact CH2-CD1 3.5Å; W13-I17 HydrophobicContact CZ2-CD1 3.07Å; W13-I17 HydrophobicContact CZ3-CD1 3.89Å; W13-I17 PolarHBondContact O-N 3.44Å; L14-I17 PolarHBondContact O-N 2.98Å; I17-N19 VanDerWaalsContact C-N 3.27Å; I17-N19 PolarHBondContact O-N 3.39Å; I17-I20 WeakPolarHBondContact O-CB 3.45Å; I17-I20 PolarHBondContact O-N 2.76Å; I17-I20 VanDerWaalsContact O-N 3.15Å; I17-I21 HydrophobicContact CG2-CD1 3.88Å; I17-I21 HydrophobicContact CG2-CG1 4.2Å; I17-I21 VanDerWaalsContact O-CG1 3.32Å; I17-I21 WeakPolarHBondContact O-CG1 3.46Å; I17-I21 PolarHBondContact O-N 3.13Å; I17-I39 HydrophobicContact CB-CG2 4.27Å; I17-I39 HydrophobicContact CD1-CG2 4.25Å; I17-I39 HydrophobicContact CG2-CD1 3.8Å; I17-I39 HydrophobicContact CG2-CG1 4.46Å; I17-I39 HydrophobicContact CG2-CG2 3.51Å; I17-I68 HydrophobicContact CB-CD1 4.27Å; I17-I68 HydrophobicContact CD1-CD1 3.79Å; I17-I68 HydrophobicContact CD1-CG2 3.8Å; I17-I68 HydrophobicContact CG1-CD1 3.94Å; I17-I68 HydrophobicContact CG1-CG2 3.98Å; I17-I68 HydrophobicContact CG2-CD1 3.4Å; I17-A81 HydrophobicContact CG1-CB 4.17Å
18	T	48.6	Very low	45.3	Very low	36 Å²	36	69.4 Å²	69.4	22%	0.221	34%	0.339	C	S	.	.	H	α-helix	trans	-58	-44.8	172.7	-60.3	0	0	0	0	110.2	L14 A15 I20 I21 L22 L36	L14-T18 WeakPolarHBondContact O-CB 3.4Å; L14-T18 PolarHBondContact O-N 3.31Å; L14-T18 PolarHBondContact O-OG1 3.42Å; A15-T18 PolarHBondContact O-N 2.83Å; T18-I20 VanDerWaalsContact C-N 3.32Å; T18-I20 PolarHBondContact O-N 3.37Å; T18-I21 PolarHBondContact O-N 3.44Å; T18-L22 HydrophobicContact CG2-CD1 3.71Å; T18-L22 HydrophobicContact CG2-CG 4.09Å; T18-L22 VanDerWaalsContact O-CB 3.3Å; T18-L22 WeakPolarHBondContact O-CB 3.31Å; T18-L22 WeakPolarHBondContact O-CG 3.46Å; T18-L22 PolarHBondContact O-N 3.15Å; T18-L36 HydrophobicContact CG2-CD1 4.32Å; T18-L36 HydrophobicContact CG2-CD2 3.9Å; T18-L36 WeakPolarHBondContact OG1-CD2 3.22Å
19	N	47.9	Very low	47.1	Very low	91 Å²	91	75.9 Å²	75.9	49%	0.487	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-37.7	176.2	-80.2	-24.8	0	0	0	112.9	A15 S16 I17 R23	A15-N19 PolarHBondContact O-N 3.19Å; S16-N19 PolarHBondContact O-N 3.13Å; I17-N19 VanDerWaalsContact C-N 3.27Å; I17-N19 PolarHBondContact O-N 3.39Å; N19-R23 WeakPolarHBondContact O-CB 3.32Å; N19-R23 VanDerWaalsContact O-CG 3.25Å; N19-R23 WeakPolarHBondContact O-CG 3.33Å; N19-R23 PolarHBondContact O-N 3.17Å; N19-R23 VanDerWaalsContact O-N 3.15Å
20	I	47.1	Very low	48.8	Very low	18 Å²	18	81.9 Å²	81.9	9%	0.092	38%	0.384	C	S	.	.	H	α-helix	trans	-62.1	-56.9	174.2	-60.9	176.1	0	0	0	109	S16 I17 T18 L22 R23 T24 A81 E83	S16-I20 WeakPolarHBondContact O-CG1 3.42Å; S16-I20 PolarHBondContact O-N 3.42Å; S16-I20 VanDerWaalsContact O-N 3.17Å; I17-I20 WeakPolarHBondContact O-CB 3.45Å; I17-I20 PolarHBondContact O-N 2.76Å; I17-I20 VanDerWaalsContact O-N 3.15Å; T18-I20 VanDerWaalsContact C-N 3.32Å; T18-I20 PolarHBondContact O-N 3.37Å; I20-L22 VanDerWaalsContact C-N 3.3Å; I20-L22 PolarHBondContact O-N 3.35Å; I20-R23 CarbonylContact O-C 3.59Å; I20-R23 WeakPolarHBondContact O-CA 3.19Å; I20-R23 WeakPolarHBondContact O-CB 3.36Å; I20-R23 PolarHBondContact O-N 3.41Å; I20-T24 WeakPolarHBondContact CG2-OG1 3.33Å; I20-T24 PolarHBondContact O-N 3.05Å; I20-T24 PolarHBondContact O-OG1 2.87Å; I20-A81 HydrophobicContact CD1-CB 4Å; I20-E83 HydrophobicContact CD1-CB 4.01Å; I20-E83 HydrophobicContact CD1-CG 4.36Å; I20-E83 WeakPolarHBondContact CD1-OE2 3.32Å; I20-E83 WeakPolarHBondContact CG1-OE2 3.39Å
21	I	46.5	Very low	49.7	Very low	1 Å²	1	85.2 Å²	85.2	1%	0.005	40%	0.396	C	S	.	.	H	α-helix	trans	-56.3	-43.9	179.9	-64.1	165.7	0	0	0	112.2	I17 T18 R23 T24 V25 L35 L36 I39	I17-I21 HydrophobicContact CG2-CD1 3.88Å; I17-I21 HydrophobicContact CG2-CG1 4.2Å; I17-I21 VanDerWaalsContact O-CG1 3.32Å; I17-I21 WeakPolarHBondContact O-CG1 3.46Å; I17-I21 PolarHBondContact O-N 3.13Å; T18-I21 PolarHBondContact O-N 3.44Å; I21-R23 PolarHBondContact O-N 3.29Å; I21-T24 PolarHBondContact O-N 3.5Å; I21-V25 HydrophobicContact CB-CG2 4.42Å; I21-V25 HydrophobicContact CG2-CB 4.03Å; I21-V25 HydrophobicContact CG2-CG2 3.87Å; I21-V25 WeakPolarHBondContact O-CA 3.45Å; I21-V25 WeakPolarHBondContact O-CB 3.42Å; I21-V25 PolarHBondContact O-N 3.42Å; I21-L35 HydrophobicContact CG2-CD1 4.29Å; I21-L36 HydrophobicContact CD1-CD2 3.65Å; I21-L36 HydrophobicContact CD1-CG 4.25Å; I21-I39 HydrophobicContact CD1-CD1 3.04Å; I21-I39 HydrophobicContact CG1-CD1 3.97Å
22	L	51.6	Low	50.5	Low	83 Å²	83	80.5 Å²	80.5	44%	0.435	38%	0.379	S	S	.	.	H	α-helix	trans	-62.5	-29.7	179.7	-71.8	176.1	0	0	0	111.7	T18 I20	T18-L22 HydrophobicContact CG2-CD1 3.71Å; T18-L22 HydrophobicContact CG2-CG 4.09Å; T18-L22 VanDerWaalsContact O-CB 3.3Å; T18-L22 WeakPolarHBondContact O-CB 3.31Å; T18-L22 WeakPolarHBondContact O-CG 3.46Å; T18-L22 PolarHBondContact O-N 3.15Å; I20-L22 VanDerWaalsContact C-N 3.3Å; I20-L22 PolarHBondContact O-N 3.35Å
23	R	51.3	Low	52	Low	220 Å²	220	81 Å²	81	83%	0.83	38%	0.376	S	S	*	.	H	α-helix	trans	-85	-43.6	176.1	-71.9	176.3	178.5	-167.8	-1.4	113.3	N19 I20 I21	N19-R23 WeakPolarHBondContact O-CB 3.32Å; N19-R23 VanDerWaalsContact O-CG 3.25Å; N19-R23 WeakPolarHBondContact O-CG 3.33Å; N19-R23 PolarHBondContact O-N 3.17Å; N19-R23 VanDerWaalsContact O-N 3.15Å; I20-R23 CarbonylContact O-C 3.59Å; I20-R23 WeakPolarHBondContact O-CA 3.19Å; I20-R23 WeakPolarHBondContact O-CB 3.36Å; I20-R23 PolarHBondContact O-N 3.41Å; I21-R23 PolarHBondContact O-N 3.29Å
24	T	43.6	Very low	52.8	Low	86 Å²	86	87.8 Å²	87.8	53%	0.528	41%	0.406	S	S	.	.	H	α-helix	trans	-86.9	-28.2	-173.1	-16.5	0	0	0	0	113.1	I20 I21	I20-T24 WeakPolarHBondContact CG2-OG1 3.33Å; I20-T24 PolarHBondContact O-N 3.05Å; I20-T24 PolarHBondContact O-OG1 2.87Å; I21-T24 PolarHBondContact O-N 3.5Å
25	V	45	Very low	53.1	Low	14 Å²	14	86.4 Å²	86.4	9%	0.085	40%	0.398	C	S	.	.			trans	-105.7	102.4	-170.3	-171.6	0	0	0	0	111.5	I21 A27 R32 L35 I66	I21-V25 HydrophobicContact CB-CG2 4.42Å; I21-V25 HydrophobicContact CG2-CB 4.03Å; I21-V25 HydrophobicContact CG2-CG2 3.87Å; I21-V25 WeakPolarHBondContact O-CA 3.45Å; I21-V25 WeakPolarHBondContact O-CB 3.42Å; I21-V25 PolarHBondContact O-N 3.42Å; V25-A27 HydrophobicContact CG1-CB 3.43Å; V25-A27 VanDerWaalsContact CG1-CB 3.43Å; V25-A27 PolarHBondContact O-N 3.36Å; V25-R32 PolarHBondContact O-NE 2.81Å; V25-R32 VanDerWaalsContact O-NE 3.11Å; V25-R32 PolarHBondContact O-NH2 3.49Å; V25-L35 HydrophobicContact CG1-CD1 3.88Å; V25-L35 HydrophobicContact CG2-CD1 4.37Å; V25-I66 HydrophobicContact CG2-CD1 3.24Å; V25-I66 HydrophobicContact CG2-CG1 4.21Å
26	R	54.2	Low	53.8	Low	248 Å²	248	86 Å²	86	94%	0.936	39%	0.389	S	S	*	.			trans	-77.9	50.7	168.1	-64.1	-173.1	180	-172.4	1.2	112.2
27	A	54.2	Low	54.7	Low	19 Å²	19	92 Å²	92	16%	0.157	41%	0.411	C	S	.	.			trans	-103	153.9	179.6	0	0	0	0	0	113.2	V25 R31 R32	V25-A27 HydrophobicContact CG1-CB 3.43Å; V25-A27 VanDerWaalsContact CG1-CB 3.43Å; V25-A27 PolarHBondContact O-N 3.36Å; A27-R31 HydrophobicContact CB-CB 3.91Å; A27-R31 HydrophobicContact CB-CG 3.91Å; A27-R32 HydrophobicContact CB-CG 4.47Å; A27-R32 PolarHBondContact O-NE 3.42Å
28	K	64.6	Low	55.3	Low	188 Å²	188	93.4 Å²	93.4	82%	0.817	43%	0.426	S	S	*	.			trans	-51.4	146.1	172.2	-66.1	-175.9	179.7	-179.8	0	110.8	N30 R31 R32	K28-N30 PolarHBondContact O-N 2.94Å; K28-R31 WeakPolarHBondContact O-CB 3.01Å; K28-R31 PolarHBondContact O-N 3.25Å; K28-R32 PolarHBondContact O-N 2.99Å; K28-R32 VanDerWaalsContact O-N 3.16Å
29	R	69.5	Low	55.4	Low	204 Å²	204	91.8 Å²	91.8	77%	0.77	42%	0.416	S	S	*	.	H	α-helix	trans	-46.2	-42	-177.4	-174.3	178.4	-179.4	178.3	0.1	113.4	R31 R32 I33	R29-R31 PolarHBondContact O-N 2.58Å; R29-R32 PolarHBondContact O-N 3.05Å; R29-I33 HydrophobicContact CG-CD1 4.06Å; R29-I33 WeakPolarHBondContact O-CG1 3.42Å; R29-I33 PolarHBondContact O-N 3.2Å
30	N	66.1	Low	55.8	Low	131 Å²	131	92.7 Å²	92.7	70%	0.701	42%	0.416	S	S	*	.	H	α-helix	trans	-62.9	-39.1	179.2	-68.1	-6.6	0	0	0	112.9	K28 I33 K34	K28-N30 PolarHBondContact O-N 2.94Å; N30-I33 PolarHBondContact O-N 3.36Å; N30-K34 PolarHBondContact O-N 2.99Å
31	R	60.1	Low	56.4	Low	91 Å²	91	94.7 Å²	94.7	34%	0.343	44%	0.435	S	S	.	.	H	α-helix	trans	-70.4	-40	176.7	-174	165.5	177.3	178.9	1.7	111.2	A27 K28 R29 I33 K34 L35 D62 S64	A27-R31 HydrophobicContact CB-CB 3.91Å; A27-R31 HydrophobicContact CB-CG 3.91Å; K28-R31 WeakPolarHBondContact O-CB 3.01Å; K28-R31 PolarHBondContact O-N 3.25Å; R29-R31 PolarHBondContact O-N 2.58Å; R31-I33 PolarHBondContact O-N 3.14Å; R31-K34 PolarHBondContact O-N 3.36Å; R31-L35 HydrophobicContact CG-CD1 4.38Å; R31-L35 WeakPolarHBondContact O-CB 3.5Å; R31-L35 WeakPolarHBondContact O-CG 3.32Å; R31-L35 PolarHBondContact O-N 3.45Å; R31-D62 PolarHBondContact NH2-O 3.25Å; R31-S64 PolarHBondContact NH2-OG 2.96Å
32	R	57.9	Low	56.7	Low	78 Å²	78	96.5 Å²	96.5	29%	0.294	44%	0.443	S	S	.	.	H	α-helix	trans	-59	-43.2	172.5	-70	178.9	171.9	172	-0.1	112.5	V25 A27 K28 R29 L35 L36	V25-R32 PolarHBondContact O-NE 2.81Å; V25-R32 VanDerWaalsContact O-NE 3.11Å; V25-R32 PolarHBondContact O-NH2 3.49Å; A27-R32 HydrophobicContact CB-CG 4.47Å; A27-R32 PolarHBondContact O-NE 3.42Å; K28-R32 PolarHBondContact O-N 2.99Å; K28-R32 VanDerWaalsContact O-N 3.16Å; R29-R32 PolarHBondContact O-N 3.05Å; R32-L35 WeakPolarHBondContact O-CB 3.39Å; R32-L35 PolarHBondContact O-N 3Å; R32-L36 WeakPolarHBondContact O-CB 3.25Å; R32-L36 WeakPolarHBondContact O-CG 3.22Å; R32-L36 PolarHBondContact O-N 3.01Å
33	I	62.6	Low	56.7	Low	74 Å²	74	92.5 Å²	92.5	38%	0.379	42%	0.423	S	S	.	.	H	α-helix	trans	-65.7	-41.4	176.8	-66.9	165.5	0	0	0	111.1	R29 N30 R31 L36 K37	R29-I33 HydrophobicContact CG-CD1 4.06Å; R29-I33 WeakPolarHBondContact O-CG1 3.42Å; R29-I33 PolarHBondContact O-N 3.2Å; N30-I33 PolarHBondContact O-N 3.36Å; R31-I33 PolarHBondContact O-N 3.14Å; I33-L36 PolarHBondContact O-N 3.5Å; I33-K37 HydrophobicContact CG2-CD 4.42Å; I33-K37 WeakPolarHBondContact O-CG 3.4Å; I33-K37 PolarHBondContact O-N 2.81Å
34	K	60.7	Low	56.9	Low	151 Å²	151	86 Å²	86	66%	0.657	40%	0.404	S	S	*	.	H	α-helix	trans	-62	-46.5	176.8	-169.6	179.4	179	-176.3	0	111.5	N30 R31 L36 K37 G38	N30-K34 PolarHBondContact O-N 2.99Å; R31-K34 PolarHBondContact O-N 3.36Å; K34-L36 PolarHBondContact O-N 3.42Å; K34-K37 PolarHBondContact O-N 3.15Å; K34-G38 PolarHBondContact O-N 3.49Å
35	L	53.6	Low	57.5	Low	2 Å²	2	84.1 Å²	84.1	1%	0.01	39%	0.39	C	S	.	.	H	α-helix	trans	-53.8	-51.6	172.3	-83.3	167.8	0	0	0	111.8	I21 V25 R31 R32 K37 G38 I39 I60 D62 I66	I21-L35 HydrophobicContact CG2-CD1 4.29Å; V25-L35 HydrophobicContact CG1-CD1 3.88Å; V25-L35 HydrophobicContact CG2-CD1 4.37Å; R31-L35 HydrophobicContact CG-CD1 4.38Å; R31-L35 WeakPolarHBondContact O-CB 3.5Å; R31-L35 WeakPolarHBondContact O-CG 3.32Å; R31-L35 PolarHBondContact O-N 3.45Å; R32-L35 WeakPolarHBondContact O-CB 3.39Å; R32-L35 PolarHBondContact O-N 3Å; L35-K37 VanDerWaalsContact C-N 3.32Å; L35-K37 PolarHBondContact O-N 3.5Å; L35-G38 PolarHBondContact O-N 3.42Å; L35-I39 WeakPolarHBondContact O-CB 3.49Å; L35-I39 WeakPolarHBondContact O-CD1 3.5Å; L35-I39 VanDerWaalsContact O-CG1 3.23Å; L35-I39 WeakPolarHBondContact O-CG1 3.14Å; L35-I39 PolarHBondContact O-N 3.14Å; L35-I60 HydrophobicContact CD2-CG2 3.63Å; L35-D62 VanDerWaalsContact CD2-CG 3.4Å; L35-D62 WeakPolarHBondContact CD2-OD1 3.46Å; L35-D62 WeakPolarHBondContact CD2-OD2 2.87Å; L35-D62 VanDerWaalsContact CG-OD2 3.25Å; L35-D62 WeakPolarHBondContact CG-OD2 2.91Å; L35-I66 HydrophobicContact CD1-CD1 4.45Å; L35-I66 HydrophobicContact CD2-CD1 4.22Å
36	L	58.2	Low	57.8	Low	45 Å²	45	83.6 Å²	83.6	24%	0.236	39%	0.386	C	S	.	.	H	α-helix	trans	-61.2	-37.5	179.6	-72.9	170.4	0	0	0	112.9	T18 I21 R32 I33 K34 K40	T18-L36 HydrophobicContact CG2-CD1 4.32Å; T18-L36 HydrophobicContact CG2-CD2 3.9Å; T18-L36 WeakPolarHBondContact OG1-CD2 3.22Å; I21-L36 HydrophobicContact CD1-CD2 3.65Å; I21-L36 HydrophobicContact CD1-CG 4.25Å; R32-L36 WeakPolarHBondContact O-CB 3.25Å; R32-L36 WeakPolarHBondContact O-CG 3.22Å; R32-L36 PolarHBondContact O-N 3.01Å; I33-L36 PolarHBondContact O-N 3.5Å; K34-L36 PolarHBondContact O-N 3.42Å; L36-K40 WeakPolarHBondContact O-CB 3.34Å; L36-K40 PolarHBondContact O-N 3.45Å
37	K	61.2	Low	57.9	Low	151 Å²	151	72.3 Å²	72.3	66%	0.657	34%	0.344	S	S	*	.	H	α-helix	trans	-66.5	-44.2	174.4	-74.6	-179.8	178.2	-175.7	0	112	I33 K34 L35 I39 K40 A41	I33-K37 HydrophobicContact CG2-CD 4.42Å; I33-K37 WeakPolarHBondContact O-CG 3.4Å; I33-K37 PolarHBondContact O-N 2.81Å; K34-K37 PolarHBondContact O-N 3.15Å; L35-K37 VanDerWaalsContact C-N 3.32Å; L35-K37 PolarHBondContact O-N 3.5Å; K37-I39 VanDerWaalsContact C-N 3.34Å; K37-K40 WeakPolarHBondContact O-CB 3.23Å; K37-K40 PolarHBondContact O-N 2.92Å; K37-A41 PolarHBondContact O-N 2.9Å; K37-A41 VanDerWaalsContact O-N 3.14Å
38	G	56.2	Low	58.1	Low	30 Å²	30	79.1 Å²	79.1	31%	0.309	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-42.7	177.6	0	0	0	0	0	112.2	K34 L35 A41 Q42	K34-G38 PolarHBondContact O-N 3.49Å; L35-G38 PolarHBondContact O-N 3.42Å; G38-A41 WeakPolarHBondContact O-CB 3.36Å; G38-A41 PolarHBondContact O-N 3.41Å; G38-Q42 WeakPolarHBondContact O-CG 3.16Å; G38-Q42 PolarHBondContact O-N 3.01Å
39	I	52.3	Low	57.5	Low	2 Å²	2	72.4 Å²	72.4	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-45.8	176.2	-74.9	165.8	0	0	0	111.3	W13 I17 I21 L35 K37 A41 Q42 S43 I60 I68	W13-I39 HydrophobicContact CE3-CG2 4.45Å; W13-I39 HydrophobicContact CH2-CB 4.36Å; W13-I39 HydrophobicContact CH2-CG2 3.34Å; W13-I39 WeakPolarHBondContact CH2-O 3.22Å; W13-I39 HydrophobicContact CZ2-CG2 4.43Å; W13-I39 HydrophobicContact CZ3-CG2 3.33Å; W13-I39 VanDerWaalsContact CZ3-O 3.31Å; W13-I39 WeakPolarHBondContact CZ3-O 3.07Å; I17-I39 HydrophobicContact CB-CG2 4.27Å; I17-I39 HydrophobicContact CD1-CG2 4.25Å; I17-I39 HydrophobicContact CG2-CD1 3.8Å; I17-I39 HydrophobicContact CG2-CG1 4.46Å; I17-I39 HydrophobicContact CG2-CG2 3.51Å; I21-I39 HydrophobicContact CD1-CD1 3.04Å; I21-I39 HydrophobicContact CG1-CD1 3.97Å; L35-I39 WeakPolarHBondContact O-CB 3.49Å; L35-I39 WeakPolarHBondContact O-CD1 3.5Å; L35-I39 VanDerWaalsContact O-CG1 3.23Å; L35-I39 WeakPolarHBondContact O-CG1 3.14Å; L35-I39 PolarHBondContact O-N 3.14Å; K37-I39 VanDerWaalsContact C-N 3.34Å; I39-A41 VanDerWaalsContact C-N 3.27Å; I39-A41 PolarHBondContact O-N 2.83Å; I39-Q42 CarbonylContact O-C 3.55Å; I39-Q42 PolarHBondContact O-N 3.14Å; I39-Q42 VanDerWaalsContact O-N 3.1Å; I39-S43 PolarHBondContact O-N 3.48Å; I39-S43 PolarHBondContact O-OG 3.05Å; I39-I60 HydrophobicContact CD1-CD1 3.34Å; I39-I60 HydrophobicContact CD1-CG1 4.18Å; I39-I60 HydrophobicContact CG1-CD1 3.41Å; I39-I60 VanDerWaalsContact CG1-CD1 3.41Å; I39-I60 HydrophobicContact CG1-CG1 3.74Å; I39-I68 HydrophobicContact CD1-CD1 4.47Å
40	K	56	Low	56.6	Low	110 Å²	110	62.8 Å²	62.8	48%	0.478	31%	0.312	S	S	.	.	H	α-helix	trans	-54.7	-43.3	174.5	-173.5	180	179.4	-171.5	0	112.4	H10 L14 L36 K37 S43	H10-K40 WeakPolarHBondContact NE2-CG 3.05Å; L14-K40 HydrophobicContact CD1-CD 4.47Å; L14-K40 HydrophobicContact CD1-CG 4.18Å; L14-K40 HydrophobicContact CD2-CB 3.84Å; L14-K40 HydrophobicContact CD2-CG 4.14Å; L36-K40 WeakPolarHBondContact O-CB 3.34Å; L36-K40 PolarHBondContact O-N 3.45Å; K37-K40 WeakPolarHBondContact O-CB 3.23Å; K37-K40 PolarHBondContact O-N 2.92Å; K40-S43 WeakPolarHBondContact CA-OG 3.36Å; K40-S43 PolarHBondContact O-OG 3.48Å
41	A	58.2	Low	56.1	Low	60 Å²	60	60 Å²	60	50%	0.496	30%	0.302	S	S	.	.	H	α-helix	trans	-65.4	-45.2	176	0	0	0	0	0	111.6	K37 G38 I39 S43 L44	K37-A41 PolarHBondContact O-N 2.9Å; K37-A41 VanDerWaalsContact O-N 3.14Å; G38-A41 WeakPolarHBondContact O-CB 3.36Å; G38-A41 PolarHBondContact O-N 3.41Å; I39-A41 VanDerWaalsContact C-N 3.27Å; I39-A41 PolarHBondContact O-N 2.83Å; A41-S43 PolarHBondContact O-N 2.96Å; A41-L44 PolarHBondContact O-N 3.28Å
42	Q	53.3	Low	56	Low	39 Å²	39	58.2 Å²	58.2	18%	0.182	30%	0.303	C	S	.	.	H	α-helix	trans	-68.4	-31.9	-179.5	-70.4	178	-9	0	0	113.4	G38 I39 L44 M45 L46 L193	G38-Q42 WeakPolarHBondContact O-CG 3.16Å; G38-Q42 PolarHBondContact O-N 3.01Å; I39-Q42 CarbonylContact O-C 3.55Å; I39-Q42 PolarHBondContact O-N 3.14Å; I39-Q42 VanDerWaalsContact O-N 3.1Å; Q42-L44 VanDerWaalsContact C-N 3.31Å; Q42-L44 PolarHBondContact O-N 3.43Å; Q42-M45 PolarHBondContact O-N 3.06Å; Q42-L46 VanDerWaalsContact O-CG 3.3Å; Q42-L46 WeakPolarHBondContact O-CG 3.24Å; Q42-L46 PolarHBondContact O-N 3.43Å; Q42-L193 HydrophobicContact CG-CD1 4.41Å
43	S	51.2	Low	55.6	Low	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57.4	-43.3	175.4	17.8	0	0	0	0	113.7	H10 W13 I39 K40 A41 M45 L46 L47	H10-S43 PolarHBondContact CD2-OG 2.79Å; H10-S43 PolarHBondContact NE2-OG 3.46Å; W13-S43 VanDerWaalsContact CH2-CA 3.47Å; W13-S43 WeakPolarHBondContact CH2-OG 3.44Å; W13-S43 WeakPolarHBondContact CZ3-OG 3.14Å; I39-S43 PolarHBondContact O-N 3.48Å; I39-S43 PolarHBondContact O-OG 3.05Å; K40-S43 WeakPolarHBondContact CA-OG 3.36Å; K40-S43 PolarHBondContact O-OG 3.48Å; A41-S43 PolarHBondContact O-N 2.96Å; S43-M45 VanDerWaalsContact C-N 3.26Å; S43-M45 PolarHBondContact O-N 2.61Å; S43-L46 PolarHBondContact O-N 2.97Å; S43-L47 WeakPolarHBondContact O-CG 3.13Å; S43-L47 PolarHBondContact O-N 3.15Å
44	L	56.9	Low	54.9	Low	82 Å²	82	53 Å²	53	43%	0.429	28%	0.282	S	S	.	.	H	α-helix	trans	-66.7	-38.9	-173.7	-70.9	169.1	0	0	0	109.3	A41 Q42 L47 Q48	A41-L44 PolarHBondContact O-N 3.28Å; Q42-L44 VanDerWaalsContact C-N 3.31Å; Q42-L44 PolarHBondContact O-N 3.43Å; L44-L47 HydrophobicContact CD2-CD1 4.42Å; L44-L47 PolarHBondContact O-N 2.9Å; L44-Q48 WeakPolarHBondContact O-CG 3.21Å; L44-Q48 PolarHBondContact O-N 3.49Å
45	M	56.2	Low	54.2	Low	48 Å²	48	45.9 Å²	45.9	24%	0.236	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-45.3	171.9	-64	-170.2	71.8	0	0	112.1	Q42 S43 L47 Q48 V49 I188 T190	Q42-M45 PolarHBondContact O-N 3.06Å; S43-M45 VanDerWaalsContact C-N 3.26Å; S43-M45 PolarHBondContact O-N 2.61Å; M45-L47 VanDerWaalsContact C-N 3.3Å; M45-L47 PolarHBondContact O-N 2.99Å; M45-Q48 PolarHBondContact O-N 3.2Å; M45-Q48 VanDerWaalsContact O-N 3.15Å; M45-V49 VanDerWaalsContact O-CG2 3.32Å; M45-V49 WeakPolarHBondContact O-CG2 3.2Å; M45-V49 PolarHBondContact O-N 3.2Å; M45-I188 HydrophobicContact CE-CG2 3.75Å; M45-T190 HydrophobicContact CE-CG2 4.02Å; M45-T190 WeakPolarHBondContact CE-OG1 3.35Å; M45-T190 PolarHBondContact SD-OG1 2.8Å
46	L	50.8	Low	53.8	Low	2 Å²	2	45.9 Å²	45.9	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-62.1	-36.8	176.1	-68.6	170.8	0	0	0	111.8	W13 Q42 S43 Q48 V49 V50 V56 A58 V70 L79 I188	W13-L46 HydrophobicContact CZ2-CD1 4.26Å; Q42-L46 VanDerWaalsContact O-CG 3.3Å; Q42-L46 WeakPolarHBondContact O-CG 3.24Å; Q42-L46 PolarHBondContact O-N 3.43Å; S43-L46 PolarHBondContact O-N 2.97Å; L46-Q48 VanDerWaalsContact C-N 3.27Å; L46-Q48 PolarHBondContact O-N 3.44Å; L46-V49 PolarHBondContact O-N 3.11Å; L46-V50 HydrophobicContact CB-CG2 4.44Å; L46-V50 HydrophobicContact CD2-CG2 4.37Å; L46-V50 WeakPolarHBondContact O-CB 3.34Å; L46-V50 WeakPolarHBondContact O-CG2 3.3Å; L46-V50 PolarHBondContact O-N 2.91Å; L46-V56 HydrophobicContact CD2-CB 4.04Å; L46-V56 HydrophobicContact CD2-CG1 3.37Å; L46-A58 HydrophobicContact CD1-CB 3.93Å; L46-V70 HydrophobicContact CD1-CG2 4.22Å; L46-L79 HydrophobicContact CB-CD1 4.01Å; L46-I188 HydrophobicContact CD2-CD1 3.51Å
47	L	55.6	Low	53.3	Low	11 Å²	11	43.9 Å²	43.9	6%	0.058	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-36.4	175.7	-81.3	167.3	0	0	0	112.6	S43 L44 M45 K72 L79	S43-L47 WeakPolarHBondContact O-CG 3.13Å; S43-L47 PolarHBondContact O-N 3.15Å; L44-L47 HydrophobicContact CD2-CD1 4.42Å; L44-L47 PolarHBondContact O-N 2.9Å; M45-L47 VanDerWaalsContact C-N 3.3Å; M45-L47 PolarHBondContact O-N 2.99Å; L47-K72 PolarHBondContact O-NZ 2.79Å; L47-L79 HydrophobicContact CB-CD1 4.39Å; L47-L79 HydrophobicContact CD2-CD1 3.66Å; L47-L79 HydrophobicContact CD2-CD2 4.44Å; L47-L79 HydrophobicContact CD2-CG 3.56Å; L47-L79 HydrophobicContact CG-CD1 3.51Å; L47-L79 HydrophobicContact CG-CG 4.04Å
48	Q	58.5	Low	52.4	Low	162 Å²	162	36.9 Å²	36.9	76%	0.757	21%	0.212	S	C	*	.	H	α-helix	trans	-77.5	-40	-179.4	-70	173.7	-23.1	0	0	112.3	L44 M45 L46	L44-Q48 WeakPolarHBondContact O-CG 3.21Å; L44-Q48 PolarHBondContact O-N 3.49Å; M45-Q48 PolarHBondContact O-N 3.2Å; M45-Q48 VanDerWaalsContact O-N 3.15Å; L46-Q48 VanDerWaalsContact C-N 3.27Å; L46-Q48 PolarHBondContact O-N 3.44Å
49	V	52	Low	51.9	Low	48 Å²	48	36.2 Å²	36.2	29%	0.291	20%	0.203	S	C	.	.	H	α-helix	trans	-87.1	-29.4	-173.2	178.1	0	0	0	0	112.6	M45 L46 I186	M45-V49 VanDerWaalsContact O-CG2 3.32Å; M45-V49 WeakPolarHBondContact O-CG2 3.2Å; M45-V49 PolarHBondContact O-N 3.2Å; L46-V49 PolarHBondContact O-N 3.11Å; V49-I186 HydrophobicContact CG1-CG2 3.56Å
50	V	51.3	Low	51.5	Low	2 Å²	2	36.6 Å²	36.6	1%	0.012	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-84.5	122.6	-175.1	-175.1	0	0	0	0	111	L46 K54 V56 K72 L79	L46-V50 HydrophobicContact CB-CG2 4.44Å; L46-V50 HydrophobicContact CD2-CG2 4.37Å; L46-V50 WeakPolarHBondContact O-CB 3.34Å; L46-V50 WeakPolarHBondContact O-CG2 3.3Å; L46-V50 PolarHBondContact O-N 2.91Å; V50-K54 HydrophobicContact CG1-CB 4.07Å; V50-V56 HydrophobicContact CB-CG2 4.35Å; V50-V56 HydrophobicContact CG1-CG2 4.28Å; V50-V56 HydrophobicContact CG2-CB 3.85Å; V50-V56 HydrophobicContact CG2-CG2 3.19Å; V50-K72 HydrophobicContact CB-CB 4.47Å; V50-K72 HydrophobicContact CB-CD 4.39Å; V50-K72 HydrophobicContact CG1-CB 3.75Å; V50-K72 HydrophobicContact CG1-CD 4.41Å; V50-K72 WeakPolarHBondContact O-CD 3.23Å; V50-K72 WeakPolarHBondContact O-CE 3.32Å; V50-K72 PolarHBondContact O-NZ 3.17Å; V50-L79 HydrophobicContact CB-CD2 4.49Å
51	S	56.2	Low	50.7	Low	72 Å²	72	35.4 Å²	35.4	50%	0.503	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-72.3	146.5	172	-69.8	0	0	0	0	111.4	G53 K54	S51-G53 PolarHBondContact O-N 3.44Å; S51-K54 VanDerWaalsContact O-CB 3.23Å; S51-K54 WeakPolarHBondContact O-CB 3.49Å; S51-K54 WeakPolarHBondContact O-CG 3.25Å; S51-K54 PolarHBondContact O-N 3.1Å; S51-K54 VanDerWaalsContact O-N 3.09Å
52	P	57.4	Low	49.8	Very low	54 Å²	54	34.1 Å²	34.1	35%	0.351	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	136.2	175.3	-22.2	33.7	0	0	0	111.6	K54 K72 K77	P52-K54 VanDerWaalsContact C-N 3.32Å; P52-K72 HydrophobicContact CG-CD 4.33Å; P52-K77 HydrophobicContact CB-CD 3.85Å; P52-K77 HydrophobicContact CG-CD 3.63Å
53	G	50.4	Low	48.8	Very low	11 Å²	11	41.2 Å²	41.2	11%	0.113	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	7.1	-174.7	0	0	0	0	0	114.5	S51 K72	S51-G53 PolarHBondContact O-N 3.44Å; G53-K72 WeakPolarHBondContact CA-O 3.38Å; G53-K72 PolarHBondContact N-O 3.42Å
54	K	46.6	Very low	48.1	Very low	30 Å²	30	42.7 Å²	42.7	13%	0.13	24%	0.244	C	C	.	.			trans	-110.2	157.1	178.1	-53.9	-60.6	-164.5	152.3	0	111.7	V50 S51 P52 V71 K72 C100 E183 D197	V50-K54 HydrophobicContact CG1-CB 4.07Å; S51-K54 VanDerWaalsContact O-CB 3.23Å; S51-K54 WeakPolarHBondContact O-CB 3.49Å; S51-K54 WeakPolarHBondContact O-CG 3.25Å; S51-K54 PolarHBondContact O-N 3.1Å; S51-K54 VanDerWaalsContact O-N 3.09Å; P52-K54 VanDerWaalsContact C-N 3.32Å; K54-V71 WeakPolarHBondContact O-CA 3.44Å; K54-K72 PolarHBondContact O-N 3.07Å; K54-C100 VanDerWaalsContact CA-SG 3.51Å; K54-E183 IonicContact NZ-OE2 3.79Å; K54-E183 PolarHBondContact NZ-OE2 3.22Å; K54-D197 VanDerWaalsContact CD-OD1 3.25Å; K54-D197 WeakPolarHBondContact CD-OD1 3.33Å; K54-D197 WeakPolarHBondContact CE-OD1 2.92Å; K54-D197 WeakPolarHBondContact CE-OD2 3.44Å; K54-D197 IonicContact NZ-OD1 2.72Å; K54-D197 PolarHBondContact NZ-OD1 2.84Å; K54-D197 IonicContact NZ-OD2 2.83Å; K54-D197 PolarHBondContact NZ-OD2 2.95Å
55	C	45.9	Very low	47.4	Very low	2 Å²	2	42.7 Å²	42.7	1%	0.014	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	155.7	174.7	64.7	0	0	0	0	110.5	V69 V70 V71 C100 L101	C55-V69 HydrophobicContact CB-CG1 4.38Å; C55-V70 CarbonylContact C-O 3.57Å; C55-V70 WeakPolarHBondContact CA-O 3.37Å; C55-V71 HydrophobicContact CB-CG2 4.06Å; C55-C100 HydrophobicContact CB-CB 3.47Å; C55-C100 VanDerWaalsContact CB-CB 3.47Å; C55-C100 WeakPolarHBondContact CB-O 3.39Å; C55-C100 PolarHBondContact N-SG 2.82Å; C55-C100 WeakPolarHBondContact SG-CA 3.18Å; C55-C100 WeakPolarHBondContact SG-CB 3.17Å; C55-C100 PolarHBondContact SG-O 3.22Å; C55-C100 VanDerWaalsContact SG-O 3.35Å; C55-C100 PolarHBondContact SG-SG 2.82Å; C55-L101 HydrophobicContact CB-CB 3.97Å; C55-L101 HydrophobicContact CB-CD1 3.83Å; C55-L101 HydrophobicContact CB-CG 4.46Å; C55-L101 WeakPolarHBondContact SG-CB 3.46Å; C55-L101 WeakPolarHBondContact SG-CD1 3.45Å
56	V	45.1	Very low	46.6	Very low	3 Å²	3	41.4 Å²	41.4	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	136.6	166.6	167.4	0	0	0	0	109.8	L46 V50 V69 V70 I188 A195	L46-V56 HydrophobicContact CD2-CB 4.04Å; L46-V56 HydrophobicContact CD2-CG1 3.37Å; V50-V56 HydrophobicContact CB-CG2 4.35Å; V50-V56 HydrophobicContact CG1-CG2 4.28Å; V50-V56 HydrophobicContact CG2-CB 3.85Å; V50-V56 HydrophobicContact CG2-CG2 3.19Å; V56-V69 CarbonylContact O-C 3.4Å; V56-V69 WeakPolarHBondContact O-CA 3.5Å; V56-V70 PolarHBondContact N-O 3.47Å; V56-V70 PolarHBondContact O-N 3.16Å; V56-I188 HydrophobicContact CG1-CD1 4.43Å; V56-A195 HydrophobicContact CB-CB 4.04Å; V56-A195 HydrophobicContact CG1-CB 3.57Å; V56-A195 HydrophobicContact CG2-CB 3.39Å
57	A	47.3	Very low	46.3	Very low	3 Å²	3	45.5 Å²	45.5	3%	0.025	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.5	163.8	0	0	0	0	0	108.9	W67 I68 L101 V104	A57-W67 HydrophobicContact CB-CE3 4.41Å; A57-I68 CarbonylContact C-O 3.52Å; A57-I68 WeakPolarHBondContact CA-O 3.38Å; A57-L101 HydrophobicContact CB-CD1 4.44Å; A57-V104 HydrophobicContact CB-CG2 4.24Å
58	A	43.5	Very low	45.8	Very low	4 Å²	4	45.5 Å²	45.5	3%	0.033	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.8	174.9	0	0	0	0	0	110	L46 W67 I68 L193	L46-A58 HydrophobicContact CD1-CB 3.93Å; A58-W67 CarbonylContact O-C 3.58Å; A58-W67 WeakPolarHBondContact O-CA 3.09Å; A58-I68 PolarHBondContact N-O 3.01Å; A58-I68 PolarHBondContact O-N 3.02Å; A58-L193 HydrophobicContact CB-CD1 4.12Å; A58-L193 HydrophobicContact CB-CD2 4.05Å
59	S	44.7	Very low	45.3	Very low	16 Å²	16	38 Å²	38	11%	0.112	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124	167.3	177.8	0	0	0	0	112.2	A61 T65 I66 L193	S59-A61 PolarHBondContact O-N 3.3Å; S59-T65 VanDerWaalsContact OG-CG2 3.25Å; S59-T65 WeakPolarHBondContact OG-CG2 3.31Å; S59-I66 WeakPolarHBondContact CA-O 3.4Å; S59-L193 WeakPolarHBondContact O-CD2 3.46Å
60	I	45	Very low	45.2	Very low	9 Å²	9	35.8 Å²	35.8	5%	0.046	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	111.9	172.7	-59.3	143.4	0	0	0	108	L35 I39 D62 I66 I68	L35-I60 HydrophobicContact CD2-CG2 3.63Å; I39-I60 HydrophobicContact CD1-CD1 3.34Å; I39-I60 HydrophobicContact CD1-CG1 4.18Å; I39-I60 HydrophobicContact CG1-CD1 3.41Å; I39-I60 VanDerWaalsContact CG1-CD1 3.41Å; I39-I60 HydrophobicContact CG1-CG1 3.74Å; I60-D62 PolarHBondContact O-N 3.16Å; I60-D62 VanDerWaalsContact O-N 3.13Å; I60-I66 HydrophobicContact CD1-CB 4.05Å; I60-I66 HydrophobicContact CD1-CG2 4.1Å; I60-I66 PolarHBondContact N-O 2.72Å; I60-I68 HydrophobicContact CD1-CD1 3.54Å; I60-I68 HydrophobicContact CD1-CG1 4.07Å
61	A	37.8	Very low	45.1	Very low	86 Å²	86	36 Å²	36	71%	0.711	21%	0.21	S	C	*	.			trans	-82.5	82.6	-176.5	0	0	0	0	0	111.7	S59	S59-A61 PolarHBondContact O-N 3.3Å
62	D	41.1	Very low	45	Very low	32 Å²	32	33.9 Å²	33.9	17%	0.171	19%	0.192	C	C	.	.	S	Bend	trans	-147.6	69.7	164.3	73.9	-24.1	0	0	0	112.9	R31 L35 I60 S64	R31-D62 PolarHBondContact NH2-O 3.25Å; L35-D62 VanDerWaalsContact CD2-CG 3.4Å; L35-D62 WeakPolarHBondContact CD2-OD1 3.46Å; L35-D62 WeakPolarHBondContact CD2-OD2 2.87Å; L35-D62 VanDerWaalsContact CG-OD2 3.25Å; L35-D62 WeakPolarHBondContact CG-OD2 2.91Å; I60-D62 PolarHBondContact O-N 3.16Å; I60-D62 VanDerWaalsContact O-N 3.13Å; D62-S64 PolarHBondContact O-N 3.48Å; D62-S64 PolarHBondContact O-OG 3.48Å; D62-S64 VanDerWaalsContact O-OG 3.08Å; D62-S64 PolarHBondContact OD1-OG 2.93Å
63	E	31.9	Very low	44.8	Very low	188 Å²	188	32.1 Å²	32.1	88%	0.879	18%	0.179	S	C	*	.	S	Bend	trans	55.9	-3.1	174.7	-62.7	177	176.4	0	0	116.4
64	S	35.7	Very low	44.9	Very low	31 Å²	31	34.8 Å²	34.8	22%	0.217	19%	0.193	C	C	.	.	S	Bend	trans	-132.4	93.9	174.5	41.7	0	0	0	0	105.7	R31 D62 I66	R31-S64 PolarHBondContact NH2-OG 2.96Å; D62-S64 PolarHBondContact O-N 3.48Å; D62-S64 PolarHBondContact O-OG 3.48Å; D62-S64 VanDerWaalsContact O-OG 3.08Å; D62-S64 PolarHBondContact OD1-OG 2.93Å; S64-I66 PolarHBondContact O-N 3.5Å
65	T	41.6	Very low	45	Very low	83 Å²	83	43 Å²	43	51%	0.509	22%	0.223	S	C	.	.			trans	-70.7	77.7	-172.6	-36.8	0	0	0	0	110.5	S59 W67	S59-T65 VanDerWaalsContact OG-CG2 3.25Å; S59-T65 WeakPolarHBondContact OG-CG2 3.31Å; T65-W67 HydrophobicContact CG2-CZ2 3.94Å; T65-W67 VanDerWaalsContact O-CD1 3.26Å; T65-W67 PolarHBondContact O-N 3.47Å
66	I	39.9	Very low	45.4	Very low	21 Å²	21	44.4 Å²	44.4	11%	0.108	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	114.7	175.4	-58.4	163.7	0	0	0	107	V25 L35 S59 I60 S64 I68	V25-I66 HydrophobicContact CG2-CD1 3.24Å; V25-I66 HydrophobicContact CG2-CG1 4.21Å; L35-I66 HydrophobicContact CD1-CD1 4.45Å; L35-I66 HydrophobicContact CD2-CD1 4.22Å; S59-I66 WeakPolarHBondContact CA-O 3.4Å; I60-I66 HydrophobicContact CD1-CB 4.05Å; I60-I66 HydrophobicContact CD1-CG2 4.1Å; I60-I66 PolarHBondContact N-O 2.72Å; S64-I66 PolarHBondContact O-N 3.5Å; I66-I68 HydrophobicContact CG2-CD1 4.41Å; I66-I68 HydrophobicContact CG2-CG1 3.98Å
67	W	44.7	Very low	46	Very low	88 Å²	88	48.3 Å²	48.3	33%	0.333	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.5	172.8	-64.7	88.5	0	0	0	109.4	A57 A58 T65 V104	A57-W67 HydrophobicContact CB-CE3 4.41Å; A58-W67 CarbonylContact O-C 3.58Å; A58-W67 WeakPolarHBondContact O-CA 3.09Å; T65-W67 HydrophobicContact CG2-CZ2 3.94Å; T65-W67 VanDerWaalsContact O-CD1 3.26Å; T65-W67 PolarHBondContact O-N 3.47Å; W67-V104 HydrophobicContact CZ3-CG1 4.3Å
68	I	44.6	Very low	46	Very low	11 Å²	11	52.9 Å²	52.9	6%	0.056	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.6	176.3	-52.2	-176.2	0	0	0	108	I17 I39 A57 A58 I60 I66 V70 A81	I17-I68 HydrophobicContact CB-CD1 4.27Å; I17-I68 HydrophobicContact CD1-CD1 3.79Å; I17-I68 HydrophobicContact CD1-CG2 3.8Å; I17-I68 HydrophobicContact CG1-CD1 3.94Å; I17-I68 HydrophobicContact CG1-CG2 3.98Å; I17-I68 HydrophobicContact CG2-CD1 3.4Å; I39-I68 HydrophobicContact CD1-CD1 4.47Å; A57-I68 CarbonylContact C-O 3.52Å; A57-I68 WeakPolarHBondContact CA-O 3.38Å; A58-I68 PolarHBondContact N-O 3.01Å; A58-I68 PolarHBondContact O-N 3.02Å; I60-I68 HydrophobicContact CD1-CD1 3.54Å; I60-I68 HydrophobicContact CD1-CG1 4.07Å; I66-I68 HydrophobicContact CG2-CD1 4.41Å; I66-I68 HydrophobicContact CG2-CG1 3.98Å; I68-V70 HydrophobicContact CG2-CG2 3.89Å; I68-A81 HydrophobicContact CG2-CB 4.33Å
69	V	48.2	Very low	46.3	Very low	5 Å²	5	53 Å²	53	3%	0.03	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.3	170.9	-174.6	0	0	0	0	108.6	C55 V56 A81 V82 L101 L213	C55-V69 HydrophobicContact CB-CG1 4.38Å; V56-V69 CarbonylContact O-C 3.4Å; V56-V69 WeakPolarHBondContact O-CA 3.5Å; V69-A81 WeakPolarHBondContact O-CA 3.22Å; V69-V82 HydrophobicContact CB-CB 4.09Å; V69-V82 HydrophobicContact CB-CG2 3.62Å; V69-V82 HydrophobicContact CG1-CB 4.36Å; V69-V82 HydrophobicContact CG1-CG2 3.38Å; V69-V82 PolarHBondContact O-N 2.61Å; V69-L101 HydrophobicContact CB-CD2 4.04Å; V69-L101 HydrophobicContact CG1-CB 4.38Å; V69-L101 HydrophobicContact CG1-CD1 4Å; V69-L101 HydrophobicContact CG1-CD2 3.38Å; V69-L101 HydrophobicContact CG1-CG 4.08Å; V69-L101 HydrophobicContact CG2-CD2 3.42Å; V69-L101 VanDerWaalsContact CG2-CD2 3.42Å; V69-L213 HydrophobicContact CB-CD1 4.15Å; V69-L213 HydrophobicContact CG2-CD1 4.02Å; V69-L213 HydrophobicContact CG2-CD2 3.81Å; V69-L213 HydrophobicContact CG2-CG 4.04Å
70	V	49.6	Very low	46.4	Very low	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	124.3	-175	-168	0	0	0	0	109.3	L46 C55 V56 I68 L79 L80	L46-V70 HydrophobicContact CD1-CG2 4.22Å; C55-V70 CarbonylContact C-O 3.57Å; C55-V70 WeakPolarHBondContact CA-O 3.37Å; V56-V70 PolarHBondContact N-O 3.47Å; V56-V70 PolarHBondContact O-N 3.16Å; I68-V70 HydrophobicContact CG2-CG2 3.89Å; V70-L79 HydrophobicContact CG1-CB 3.39Å; V70-L79 HydrophobicContact CG1-CD1 3.89Å; V70-L79 HydrophobicContact CG1-CD2 3.46Å; V70-L79 VanDerWaalsContact CG1-CD2 3.46Å; V70-L79 HydrophobicContact CG1-CG 3.7Å; V70-L80 CarbonylContact C-O 3.59Å; V70-L80 WeakPolarHBondContact CA-O 3.36Å
71	V	49.3	Very low	46.4	Very low	8 Å²	8	53 Å²	53	5%	0.048	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.2	175.6	178	0	0	0	0	109.5	K54 C55 D73 L79 L80 V82 W89 F205	K54-V71 WeakPolarHBondContact O-CA 3.44Å; C55-V71 HydrophobicContact CB-CG2 4.06Å; V71-D73 PolarHBondContact O-N 3.02Å; V71-L79 CarbonylContact O-C 3.51Å; V71-L79 VanDerWaalsContact O-CA 3.32Å; V71-L79 WeakPolarHBondContact O-CA 3.36Å; V71-L80 PolarHBondContact N-O 3.39Å; V71-L80 PolarHBondContact O-N 3.26Å; V71-V82 HydrophobicContact CG2-CG2 3.92Å; V71-W89 HydrophobicContact CB-CH2 4.43Å; V71-W89 HydrophobicContact CG1-CZ2 4.44Å; V71-W89 HydrophobicContact CG2-CH2 4.15Å; V71-F205 HydrophobicContact CG1-CE1 4.24Å; V71-F205 HydrophobicContact CG2-CE1 4.08Å; V71-F205 HydrophobicContact CG2-CZ 4.28Å
72	K	55.4	Low	46.7	Very low	27 Å²	27	49 Å²	49	12%	0.117	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	106.3	170.3	-166.6	171.5	-178.8	172.4	0	109.3	L47 V50 P52 G53 K54 V74 R78 L79	L47-K72 PolarHBondContact O-NZ 2.79Å; V50-K72 HydrophobicContact CB-CB 4.47Å; V50-K72 HydrophobicContact CB-CD 4.39Å; V50-K72 HydrophobicContact CG1-CB 3.75Å; V50-K72 HydrophobicContact CG1-CD 4.41Å; V50-K72 WeakPolarHBondContact O-CD 3.23Å; V50-K72 WeakPolarHBondContact O-CE 3.32Å; V50-K72 PolarHBondContact O-NZ 3.17Å; P52-K72 HydrophobicContact CG-CD 4.33Å; G53-K72 WeakPolarHBondContact CA-O 3.38Å; G53-K72 PolarHBondContact N-O 3.42Å; K54-K72 PolarHBondContact O-N 3.07Å; K72-V74 PolarHBondContact O-N 3.03Å; K72-R78 CarbonylContact C-O 3.49Å; K72-R78 WeakPolarHBondContact CA-O 3.37Å; K72-L79 HydrophobicContact CB-CD2 3.9Å; K72-L79 HydrophobicContact CG-CD2 4.28Å
73	D	52	Low	46.6	Very low	16 Å²	16	52.2 Å²	52.2	9%	0.086	25%	0.245	C	C	.	.			trans	-59.6	131.5	179.1	-178.9	-85.4	0	0	0	111.2	V71 R75 T76 K77 R78 L80	V71-D73 PolarHBondContact O-N 3.02Å; D73-R75 VanDerWaalsContact C-N 3.33Å; D73-R75 PolarHBondContact O-N 3.32Å; D73-R75 WeakPolarHBondContact OD1-CB 3.45Å; D73-R75 PolarHBondContact OD1-N 2.82Å; D73-T76 WeakPolarHBondContact CB-OG1 3.47Å; D73-T76 WeakPolarHBondContact OD1-CB 3.25Å; D73-T76 PolarHBondContact OD1-N 3.36Å; D73-T76 PolarHBondContact OD1-OG1 3.02Å; D73-K77 WeakPolarHBondContact O-CA 3.45Å; D73-K77 PolarHBondContact O-N 2.83Å; D73-R78 PolarHBondContact N-O 2.99Å; D73-L80 HydrophobicContact CB-CD1 4.05Å; D73-L80 HydrophobicContact CB-CG 4.47Å
74	V	53.5	Low	46.8	Very low	68 Å²	68	45.5 Å²	45.5	41%	0.412	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-41.2	-173.9	179.4	0	0	0	0	111.9	K72 K77	K72-V74 PolarHBondContact O-N 3.03Å; V74-K77 WeakPolarHBondContact O-CD 3.45Å; V74-K77 WeakPolarHBondContact O-CE 3.24Å; V74-K77 PolarHBondContact O-NZ 3.45Å
75	R	48	Very low	46.6	Very low	203 Å²	203	44 Å²	44	77%	0.766	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-47.6	-172.1	178.4	178.6	178.7	174.5	1.4	111.4	D73	D73-R75 VanDerWaalsContact C-N 3.33Å; D73-R75 PolarHBondContact O-N 3.32Å; D73-R75 WeakPolarHBondContact OD1-CB 3.45Å; D73-R75 PolarHBondContact OD1-N 2.82Å
76	T	54.5	Low	46.2	Very low	30 Å²	30	40.7 Å²	40.7	18%	0.184	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-9	-170.9	57.3	0	0	0	0	112.5	D73 R78	D73-T76 WeakPolarHBondContact CB-OG1 3.47Å; D73-T76 WeakPolarHBondContact OD1-CB 3.25Å; D73-T76 PolarHBondContact OD1-N 3.36Å; D73-T76 PolarHBondContact OD1-OG1 3.02Å; T76-R78 WeakPolarHBondContact O-CG 3.17Å; T76-R78 PolarHBondContact O-N 3.46Å; T76-R78 VanDerWaalsContact OG1-CG 3.27Å; T76-R78 WeakPolarHBondContact OG1-CG 3.48Å
77	K	56.7	Low	45.8	Very low	86 Å²	86	42.5 Å²	42.5	37%	0.374	20%	0.204	S	C	.	.			trans	54.6	14.8	-175.7	-51.3	-59.8	-173.8	-160.9	0	113.3	F5 P52 D73 V74	F5-K77 HydrophobicContact CE1-CB 4.49Å; P52-K77 HydrophobicContact CB-CD 3.85Å; P52-K77 HydrophobicContact CG-CD 3.63Å; D73-K77 WeakPolarHBondContact O-CA 3.45Å; D73-K77 PolarHBondContact O-N 2.83Å; V74-K77 WeakPolarHBondContact O-CD 3.45Å; V74-K77 WeakPolarHBondContact O-CE 3.24Å; V74-K77 PolarHBondContact O-NZ 3.45Å
78	R	48.6	Very low	45.2	Very low	99 Å²	99	41.8 Å²	41.8	37%	0.374	20%	0.202	S	C	.	.			trans	-80.6	145.1	179.2	-34.1	-152.2	164	153.2	-10.2	109.7	L9 K72 D73 T76 L80	L9-R78 HydrophobicContact CD2-CB 3.72Å; L9-R78 VanDerWaalsContact CD2-CD 3.41Å; L9-R78 HydrophobicContact CD2-CG 3.23Å; K72-R78 CarbonylContact C-O 3.49Å; K72-R78 WeakPolarHBondContact CA-O 3.37Å; D73-R78 PolarHBondContact N-O 2.99Å; T76-R78 WeakPolarHBondContact O-CG 3.17Å; T76-R78 PolarHBondContact O-N 3.46Å; T76-R78 VanDerWaalsContact OG1-CG 3.27Å; T76-R78 WeakPolarHBondContact OG1-CG 3.48Å; R78-L80 HydrophobicContact CB-CD2 4.47Å
79	L	49.2	Very low	45	Very low	7 Å²	7	43.2 Å²	43.2	4%	0.037	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	123.8	162.4	-70.8	178.9	0	0	0	109.2	W13 L46 L47 V50 V70 V71 K72	W13-L79 HydrophobicContact CG-CB 4.11Å; L46-L79 HydrophobicContact CB-CD1 4.01Å; L47-L79 HydrophobicContact CB-CD1 4.39Å; L47-L79 HydrophobicContact CD2-CD1 3.66Å; L47-L79 HydrophobicContact CD2-CD2 4.44Å; L47-L79 HydrophobicContact CD2-CG 3.56Å; L47-L79 HydrophobicContact CG-CD1 3.51Å; L47-L79 HydrophobicContact CG-CG 4.04Å; V50-L79 HydrophobicContact CB-CD2 4.49Å; V70-L79 HydrophobicContact CG1-CB 3.39Å; V70-L79 HydrophobicContact CG1-CD1 3.89Å; V70-L79 HydrophobicContact CG1-CD2 3.46Å; V70-L79 VanDerWaalsContact CG1-CD2 3.46Å; V70-L79 HydrophobicContact CG1-CG 3.7Å; V71-L79 CarbonylContact O-C 3.51Å; V71-L79 VanDerWaalsContact O-CA 3.32Å; V71-L79 WeakPolarHBondContact O-CA 3.36Å; K72-L79 HydrophobicContact CB-CD2 3.9Å; K72-L79 HydrophobicContact CG-CD2 4.28Å
80	L	47	Very low	44.3	Very low	23 Å²	23	46.9 Å²	46.9	12%	0.12	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.4	175.5	-58.8	176.3	0	0	0	108.1	V70 V71 D73 R78 A85 Y88 W89	V70-L80 CarbonylContact C-O 3.59Å; V70-L80 WeakPolarHBondContact CA-O 3.36Å; V71-L80 PolarHBondContact N-O 3.39Å; V71-L80 PolarHBondContact O-N 3.26Å; D73-L80 HydrophobicContact CB-CD1 4.05Å; D73-L80 HydrophobicContact CB-CG 4.47Å; R78-L80 HydrophobicContact CB-CD2 4.47Å; L80-A85 HydrophobicContact CB-CB 3.85Å; L80-Y88 HydrophobicContact CD1-CD1 4.15Å; L80-Y88 HydrophobicContact CD1-CE1 4.36Å; L80-W89 HydrophobicContact CD1-CZ2 3.89Å
81	A	45.7	Very low	43.7	Very low	1 Å²	1	58 Å²	58	1%	0.008	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	130.9	168.9	0	0	0	0	0	108.4	I17 I20 I68 V69 E83 T84 A85	I17-A81 HydrophobicContact CG1-CB 4.17Å; I20-A81 HydrophobicContact CD1-CB 4Å; I68-A81 HydrophobicContact CG2-CB 4.33Å; V69-A81 WeakPolarHBondContact O-CA 3.22Å; A81-E83 PolarHBondContact O-N 2.77Å; A81-E83 VanDerWaalsContact O-N 3.15Å; A81-T84 CarbonylContact O-C 3.58Å; A81-T84 WeakPolarHBondContact O-CA 3.36Å; A81-T84 PolarHBondContact O-N 2.95Å; A81-T84 PolarHBondContact O-OG1 3.07Å; A81-A85 WeakPolarHBondContact O-CB 3.28Å; A81-A85 PolarHBondContact O-N 3.04Å
82	V	43.4	Very low	43.3	Very low	2 Å²	2	64.8 Å²	64.8	1%	0.012	30%	0.296	C	S	.	.	H	α-helix	trans	-59.7	-31.6	-168.4	170.4	0	0	0	0	113.5	V69 V71 T84 A85 S86 C209 L213	V69-V82 HydrophobicContact CB-CB 4.09Å; V69-V82 HydrophobicContact CB-CG2 3.62Å; V69-V82 HydrophobicContact CG1-CB 4.36Å; V69-V82 HydrophobicContact CG1-CG2 3.38Å; V69-V82 PolarHBondContact O-N 2.61Å; V71-V82 HydrophobicContact CG2-CG2 3.92Å; V82-T84 VanDerWaalsContact C-N 3.34Å; V82-T84 PolarHBondContact O-N 3.1Å; V82-A85 PolarHBondContact O-N 2.77Å; V82-S86 PolarHBondContact O-N 3.42Å; V82-S86 VanDerWaalsContact O-N 3.12Å; V82-C209 HydrophobicContact CG1-CB 3.57Å; V82-C209 HydrophobicContact CG2-CB 4.36Å; V82-L213 HydrophobicContact CB-CD1 3.52Å; V82-L213 HydrophobicContact CG1-CD1 3.5Å
83	E	39.1	Very low	42.3	Very low	100 Å²	100	75.6 Å²	75.6	47%	0.467	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-38.5	172.9	-68.9	-166.8	150.8	0	0	112.9	I20 A81	I20-E83 HydrophobicContact CD1-CB 4.01Å; I20-E83 HydrophobicContact CD1-CG 4.36Å; I20-E83 WeakPolarHBondContact CD1-OE2 3.32Å; I20-E83 WeakPolarHBondContact CG1-OE2 3.39Å; A81-E83 PolarHBondContact O-N 2.77Å; A81-E83 VanDerWaalsContact O-N 3.15Å
84	T	36.6	Very low	41.6	Very low	46 Å²	46	84.8 Å²	84.8	28%	0.282	37%	0.369	S	S	.	.	H	α-helix	trans	-80.7	-23.9	172.9	40.6	0	0	0	0	113.5	A81 V82 A87 Y88	A81-T84 CarbonylContact O-C 3.58Å; A81-T84 WeakPolarHBondContact O-CA 3.36Å; A81-T84 PolarHBondContact O-N 2.95Å; A81-T84 PolarHBondContact O-OG1 3.07Å; V82-T84 VanDerWaalsContact C-N 3.34Å; V82-T84 PolarHBondContact O-N 3.1Å; T84-A87 PolarHBondContact O-N 3.1Å; T84-Y88 PolarHBondContact O-N 3.39Å; T84-Y88 VanDerWaalsContact O-N 3.14Å
85	A	31.9	Very low	40.4	Very low	0 Å²	0	87.3 Å²	87.3	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-74.2	-36.4	-175.7	0	0	0	0	0	111	L80 A81 V82 A87 Y88 W89	L80-A85 HydrophobicContact CB-CB 3.85Å; A81-A85 WeakPolarHBondContact O-CB 3.28Å; A81-A85 PolarHBondContact O-N 3.04Å; V82-A85 PolarHBondContact O-N 2.77Å; A85-A87 PolarHBondContact O-N 3.49Å; A85-Y88 PolarHBondContact O-N 3.47Å; A85-W89 VanDerWaalsContact C-CD2 3.45Å; A85-W89 HydrophobicContact CB-CD2 3.84Å; A85-W89 HydrophobicContact CB-CE3 3.56Å; A85-W89 HydrophobicContact CB-CH2 3.18Å; A85-W89 HydrophobicContact CB-CZ2 3.43Å; A85-W89 VanDerWaalsContact CB-CZ2 3.43Å; A85-W89 HydrophobicContact CB-CZ3 3.22Å; A85-W89 VanDerWaalsContact O-CB 3.24Å; A85-W89 WeakPolarHBondContact O-CB 3.49Å; A85-W89 PolarHBondContact O-N 3.28Å
86	S	32.5	Very low	39.6	Very low	14 Å²	14	80.9 Å²	80.9	10%	0.098	36%	0.357	C	S	.	.	H	α-helix	trans	-51.1	-51.9	170	147.5	0	0	0	0	112.4	V82 Y88 W89 T90 Q210	V82-S86 PolarHBondContact O-N 3.42Å; V82-S86 VanDerWaalsContact O-N 3.12Å; S86-Y88 PolarHBondContact O-N 3.5Å; S86-W89 PolarHBondContact O-N 2.97Å; S86-T90 PolarHBondContact O-N 3.33Å; S86-T90 PolarHBondContact O-OG1 3.25Å; S86-Q210 PolarHBondContact OG-NE2 2.74Å; S86-Q210 PolarHBondContact OG-OE1 2.61Å
87	A	31.2	Very low	38.4	Very low	58 Å²	58	85.2 Å²	85.2	48%	0.479	39%	0.386	S	S	.	.	H	α-helix	trans	-66.2	-37	179.5	0	0	0	0	0	113	T84 A85 W89 T90	T84-A87 PolarHBondContact O-N 3.1Å; A85-A87 PolarHBondContact O-N 3.49Å; A87-W89 VanDerWaalsContact C-N 3.34Å; A87-T90 WeakPolarHBondContact CA-OG1 3.32Å; A87-T90 PolarHBondContact O-OG1 3.49Å; A87-T90 VanDerWaalsContact O-OG1 3.1Å
88	Y	33.4	Very low	37	Very low	73 Å²	73	81.4 Å²	81.4	29%	0.286	37%	0.37	S	S	.	.	H	α-helix	trans	-66.9	-34.4	175.1	-177.7	-103.1	0	0	0	112.2	L80 T84 A85 S86	L80-Y88 HydrophobicContact CD1-CD1 4.15Å; L80-Y88 HydrophobicContact CD1-CE1 4.36Å; T84-Y88 PolarHBondContact O-N 3.39Å; T84-Y88 VanDerWaalsContact O-N 3.14Å; A85-Y88 PolarHBondContact O-N 3.47Å; S86-Y88 PolarHBondContact O-N 3.5Å
89	W	39.1	Very low	35.9	Very low	41 Å²	41	82.9 Å²	82.9	16%	0.155	38%	0.376	C	S	.	.	H	α-helix	trans	-85.5	-34	-176.3	-62.7	-36	0	0	0	113.2	V71 L80 A85 S86 A87 R91 R92 F205	V71-W89 HydrophobicContact CB-CH2 4.43Å; V71-W89 HydrophobicContact CG1-CZ2 4.44Å; V71-W89 HydrophobicContact CG2-CH2 4.15Å; L80-W89 HydrophobicContact CD1-CZ2 3.89Å; A85-W89 VanDerWaalsContact C-CD2 3.45Å; A85-W89 HydrophobicContact CB-CD2 3.84Å; A85-W89 HydrophobicContact CB-CE3 3.56Å; A85-W89 HydrophobicContact CB-CH2 3.18Å; A85-W89 HydrophobicContact CB-CZ2 3.43Å; A85-W89 VanDerWaalsContact CB-CZ2 3.43Å; A85-W89 HydrophobicContact CB-CZ3 3.22Å; A85-W89 VanDerWaalsContact O-CB 3.24Å; A85-W89 WeakPolarHBondContact O-CB 3.49Å; A85-W89 PolarHBondContact O-N 3.28Å; S86-W89 PolarHBondContact O-N 2.97Å; A87-W89 VanDerWaalsContact C-N 3.34Å; W89-R91 PolarHBondContact O-N 3.19Å; W89-R92 CarbonylContact O-C 3.03Å; W89-R92 PolarHBondContact O-N 3.04Å; W89-F205 HydrophobicContact CH2-CD1 4.1Å; W89-F205 AromaticContact CH2-CE1 3.93Å; W89-F205 HydrophobicContact CH2-CE1 3.93Å; W89-F205 HydrophobicContact CZ2-CE1 4.47Å; W89-F205 HydrophobicContact CZ3-CD1 4.36Å
90	T	34.7	Very low	34.9	Very low	83 Å²	83	82.5 Å²	82.5	51%	0.509	37%	0.374	S	S	.	.	H	α-helix	trans	-60.8	-26.3	174.2	40.8	0	0	0	0	113.6	S86 A87 F207	S86-T90 PolarHBondContact O-N 3.33Å; S86-T90 PolarHBondContact O-OG1 3.25Å; A87-T90 WeakPolarHBondContact CA-OG1 3.32Å; A87-T90 PolarHBondContact O-OG1 3.49Å; A87-T90 VanDerWaalsContact O-OG1 3.1Å; T90-F207 HydrophobicContact CG2-CE2 4.34Å
91	R	36.5	Very low	34.1	Very low	232 Å²	232	81.5 Å²	81.5	88%	0.875	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-16.9	178.6	-79.5	-174.9	175.3	-174.6	-1.1	114.5	W89	W89-R91 PolarHBondContact O-N 3.19Å
92	R	39.6	Very low	33.1	Very low	152 Å²	152	82 Å²	82	57%	0.574	37%	0.373	S	S	*	.			trans	-119.3	87.2	-179.9	-67.2	-170.4	178.2	-159.9	-1	108.3	W89 R94	W89-R92 CarbonylContact O-C 3.03Å; W89-R92 PolarHBondContact O-N 3.04Å; R92-R94 PolarHBondContact O-N 3.21Å
93	R	35.5	Very low	32.4	Very low	254 Å²	254	82.7 Å²	82.7	96%	0.958	38%	0.376	S	S	*	.			trans	-59.7	48.9	176	-63.8	-173.6	178.7	-169.8	0.6	113.8
94	R	36.3	Very low	31.9	Very low	208 Å²	208	78.9 Å²	78.9	79%	0.785	36%	0.36	S	S	*	.			trans	-122.7	127.4	-180	-72.4	-168.7	178.4	-170.9	1.3	109.7	R92 I96	R92-R94 PolarHBondContact O-N 3.21Å; R94-I96 PolarHBondContact O-N 3.1Å
95	E	30	Very low	31.6	Very low	121 Å²	121	78.2 Å²	78.2	57%	0.565	36%	0.356	S	S	*	.			trans	-55.1	117.9	175.5	-64.8	174.4	-156.1	0	0	109.9	R203	E95-R203 VanDerWaalsContact CD-NH2 3.28Å; E95-R203 HydrophobicContact CG-CG 4.02Å; E95-R203 IonicContact OE1-CZ 3.34Å; E95-R203 IonicContact OE1-NE 2.97Å; E95-R203 PolarHBondContact OE1-NE 2.79Å; E95-R203 IonicContact OE1-NH1 2.85Å; E95-R203 IonicContact OE1-NH2 3.01Å; E95-R203 PolarHBondContact OE1-NH2 2.81Å; E95-R203 IonicContact OE2-CZ 2.7Å; E95-R203 IonicContact OE2-NE 3.51Å; E95-R203 PolarHBondContact OE2-NE 2.81Å; E95-R203 IonicContact OE2-NH2 2.99Å; E95-R203 PolarHBondContact OE2-NH2 2.68Å
96	I	30.7	Very low	31.5	Very low	68 Å²	68	83 Å²	83	35%	0.349	38%	0.38	S	S	.	.			trans	-103.1	123.6	164.2	-56.4	178.3	0	0	0	106.1	R94 G98	R94-I96 PolarHBondContact O-N 3.1Å; I96-G98 PolarHBondContact O-N 3Å
97	P	28.3	Very low	31.3	Very low	122 Å²	122	85 Å²	85	79%	0.792	40%	0.398	S	S	*	.			trans	-67.4	84.3	161.6	27.5	-30	0	0	0	107.4
98	G	27.8	Very low	31.3	Very low	5 Å²	5	86.1 Å²	86.1	5%	0.052	40%	0.395	C	S	.	.			trans	-107.9	102.6	-172.5	0	0	0	0	0	110	I96 F205	I96-G98 PolarHBondContact O-N 3Å; G98-F205 WeakPolarHBondContact O-CD2 3.46Å; G98-F205 WeakPolarHBondContact O-CE2 3.47Å
99	R	26	Very low	31.2	Very low	130 Å²	130	86.8 Å²	86.8	49%	0.491	40%	0.403	S	S	.	.			trans	-63.2	158.5	163.3	-56.5	-174.9	-177	-171.6	6.6	106.8	E183 V198 T199 F205	R99-E183 IonicContact NH1-OE1 2.73Å; R99-V198 CarbonylContact C-O 3.48Å; R99-T199 HydrophobicContact CB-CG2 4.43Å; R99-T199 WeakPolarHBondContact CD-OG1 3.43Å; R99-T199 HydrophobicContact CG-CG2 3.9Å; R99-F205 VanDerWaalsContact C-CE2 3.41Å; R99-F205 WeakPolarHBondContact O-CE2 3.23Å; R99-F205 WeakPolarHBondContact O-CZ 3.43Å
100	C	27.3	Very low	30.9	Very low	0 Å²	0	89.3 Å²	89.3	0%	0	42%	0.423	C	S	.	.			trans	105.5	90.5	154.2	-98.4	0	0	0	0	122.6	K54 C55 D197 V198 F205	K54-C100 VanDerWaalsContact CA-SG 3.51Å; C55-C100 HydrophobicContact CB-CB 3.47Å; C55-C100 VanDerWaalsContact CB-CB 3.47Å; C55-C100 WeakPolarHBondContact CB-O 3.39Å; C55-C100 PolarHBondContact N-SG 2.82Å; C55-C100 WeakPolarHBondContact SG-CA 3.18Å; C55-C100 WeakPolarHBondContact SG-CB 3.17Å; C55-C100 PolarHBondContact SG-O 3.22Å; C55-C100 VanDerWaalsContact SG-O 3.35Å; C55-C100 PolarHBondContact SG-SG 2.82Å; C100-D197 PolarHBondContact SG-OD1 2.74Å; C100-V198 WeakPolarHBondContact CA-O 3.46Å; C100-V198 WeakPolarHBondContact CB-O 3.37Å; C100-V198 PolarHBondContact N-O 2.92Å; C100-V198 PolarHBondContact SG-N 2.82Å; C100-V198 PolarHBondContact SG-O 2.57Å; C100-F205 VanDerWaalsContact C-CE2 3.43Å; C100-F205 HydrophobicContact CB-CZ 4.38Å; C100-F205 WeakPolarHBondContact O-CE2 3.5Å; C100-F205 WeakPolarHBondContact O-CZ 3.13Å
101	L	29.6	Very low	30.9	Very low	2 Å²	2	92.8 Å²	92.8	1%	0.01	43%	0.434	C	S	.	.				152.5	110.1	122.8	-159.5	96.9	0	0	0	114.6	C55 A57 V69 W212	C55-L101 HydrophobicContact CB-CB 3.97Å; C55-L101 HydrophobicContact CB-CD1 3.83Å; C55-L101 HydrophobicContact CB-CG 4.46Å; C55-L101 WeakPolarHBondContact SG-CB 3.46Å; C55-L101 WeakPolarHBondContact SG-CD1 3.45Å; A57-L101 HydrophobicContact CB-CD1 4.44Å; V69-L101 HydrophobicContact CB-CD2 4.04Å; V69-L101 HydrophobicContact CG1-CB 4.38Å; V69-L101 HydrophobicContact CG1-CD1 4Å; V69-L101 HydrophobicContact CG1-CD2 3.38Å; V69-L101 HydrophobicContact CG1-CG 4.08Å; V69-L101 HydrophobicContact CG2-CD2 3.42Å; V69-L101 VanDerWaalsContact CG2-CD2 3.42Å; L101-W212 HydrophobicContact CD2-CE3 4.17Å; L101-W212 HydrophobicContact CD2-CZ3 3.91Å
102	A	26.1	Very low	31	Very low	10 Å²	10	89 Å²	89	8%	0.083	43%	0.426	C	S	.	.			trans	-173.7	113.5	150.7	0	0	0	0	0	107.6	W180	A102-W180 HydrophobicContact CB-CD2 4.49Å; A102-W180 HydrophobicContact CB-CE3 3.69Å; A102-W180 HydrophobicContact CB-CH2 3.72Å; A102-W180 HydrophobicContact CB-CZ3 3.26Å
103	L	28.3	Very low	30.9	Very low	17 Å²	17	85.2 Å²	85.2	9%	0.089	42%	0.415	C	S	.	.			trans	167.2	9.9	161.9	-94.7	156	0	0	0	115.7	V105 F161 V182	L103-V105 PolarHBondContact O-N 3.46Å; L103-F161 HydrophobicContact CD1-CB 3.53Å; L103-F161 HydrophobicContact CD1-CD1 3.84Å; L103-F161 HydrophobicContact CD1-CD2 3.73Å; L103-F161 HydrophobicContact CD1-CE2 4.41Å; L103-F161 HydrophobicContact CD1-CG 3.4Å; L103-F161 VanDerWaalsContact CD1-CG 3.4Å; L103-F161 HydrophobicContact CD2-CD1 3.33Å; L103-F161 HydrophobicContact CD2-CD2 3.77Å; L103-F161 HydrophobicContact CD2-CE1 3.18Å; L103-F161 HydrophobicContact CD2-CE2 3.63Å; L103-F161 HydrophobicContact CD2-CG 3.63Å; L103-F161 HydrophobicContact CD2-CZ 3.35Å; L103-F161 HydrophobicContact CG-CD1 4.22Å; L103-F161 HydrophobicContact CG-CD2 4.23Å; L103-F161 HydrophobicContact CG-CE1 4.44Å; L103-F161 HydrophobicContact CG-CE2 4.44Å; L103-F161 HydrophobicContact CG-CG 4.12Å; L103-V182 HydrophobicContact CB-CG2 4.06Å; L103-V182 HydrophobicContact CD1-CG2 3.49Å; L103-V182 VanDerWaalsContact CD1-CG2 3.49Å; L103-V182 HydrophobicContact CG-CG2 4.4Å
104	V	29.1	Very low	31.1	Very low	20 Å²	20	77.4 Å²	77.4	12%	0.121	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-14.5	-178.1	-172.7	0	0	0	0	113.2	A57 W67 I196	A57-V104 HydrophobicContact CB-CG2 4.24Å; W67-V104 HydrophobicContact CZ3-CG1 4.3Å; V104-I196 HydrophobicContact CB-CD1 3.98Å; V104-I196 HydrophobicContact CG1-CD1 4.33Å; V104-I196 HydrophobicContact CG2-CB 3.86Å; V104-I196 HydrophobicContact CG2-CD1 3.32Å; V104-I196 HydrophobicContact CG2-CG1 3.6Å
105	V	30.4	Very low	31.9	Very low	32 Å²	32	69.8 Å²	69.8	19%	0.194	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-12.2	-166.7	-179.1	0	0	0	0	114.7	L103 L109 W212 V216	L103-V105 PolarHBondContact O-N 3.46Å; V105-L109 HydrophobicContact CG1-CD1 4.42Å; V105-L109 WeakPolarHBondContact O-CD1 3.37Å; V105-L109 WeakPolarHBondContact O-CG 3.24Å; V105-W212 HydrophobicContact CB-CH2 4.32Å; V105-W212 HydrophobicContact CB-CZ2 3.94Å; V105-W212 HydrophobicContact CG2-CH2 3.52Å; V105-W212 HydrophobicContact CG2-CZ2 3.66Å; V105-V216 HydrophobicContact CB-CG1 3.94Å; V105-V216 HydrophobicContact CG1-CG1 3.53Å; V105-V216 HydrophobicContact CG2-CG1 3.85Å
106	I	29.1	Very low	32.4	Very low	101 Å²	101	70.8 Å²	70.8	52%	0.518	39%	0.392	S	S	.	.	H	α-helix	trans	-90.1	-30.2	-176.7	-61.8	175.2	0	0	0	112.3	V110	I106-V110 WeakPolarHBondContact O-CG2 3.35Å; I106-V110 PolarHBondContact O-N 3.21Å
107	A	28	Very low	33.2	Very low	56 Å²	56	74.1 Å²	74.1	46%	0.463	41%	0.406	S	S	.	.	H	α-helix	trans	-73	-30.2	-180	0	0	0	0	0	113.4	V110 Q111	A107-V110 PolarHBondContact O-N 3.14Å; A107-Q111 PolarHBondContact O-N 3.4Å
108	D	32.5	Very low	34	Very low	81 Å²	81	70.2 Å²	70.2	43%	0.433	38%	0.38	S	S	.	.	H	α-helix	trans	-76.8	-29.7	178.4	-154.6	47.9	0	0	0	112.2	V110 H112	D108-V110 VanDerWaalsContact C-N 3.32Å; D108-H112 PolarHBondContact O-N 3.49Å
109	L	30.4	Very low	34.6	Very low	87 Å²	87	74.3 Å²	74.3	46%	0.455	40%	0.4	S	S	.	.	H	α-helix	trans	-70.1	-27.2	172.9	-74.8	167	0	0	0	112.5	V105 M113	V105-L109 HydrophobicContact CG1-CD1 4.42Å; V105-L109 WeakPolarHBondContact O-CD1 3.37Å; V105-L109 WeakPolarHBondContact O-CG 3.24Å; L109-M113 HydrophobicContact CD2-SD 3.36Å; L109-M113 WeakPolarHBondContact CD2-SD 3.08Å; L109-M113 VanDerWaalsContact O-CB 3.25Å; L109-M113 WeakPolarHBondContact O-CB 3.41Å; L109-M113 WeakPolarHBondContact O-CG 3.27Å
110	V	33.5	Very low	35.3	Very low	94 Å²	94	69.1 Å²	69.1	57%	0.57	38%	0.382	S	S	*	.	H	α-helix	trans	-86.9	-23.6	-178.9	176	0	0	0	0	112.4	I106 A107 D108 L155	I106-V110 WeakPolarHBondContact O-CG2 3.35Å; I106-V110 PolarHBondContact O-N 3.21Å; A107-V110 PolarHBondContact O-N 3.14Å; D108-V110 VanDerWaalsContact C-N 3.32Å; V110-L155 HydrophobicContact CG1-CD1 4.32Å
111	Q	34	Very low	36.2	Very low	157 Å²	157	73.6 Å²	73.6	73%	0.734	40%	0.403	S	S	*	.	H	α-helix	trans	-87.9	-15.9	177.9	-88.7	-175.5	-23.8	0	0	114.7	A107	A107-Q111 PolarHBondContact O-N 3.4Å
112	H	38.3	Very low	36.7	Very low	152 Å²	152	76.2 Å²	76.2	70%	0.704	42%	0.424	S	S	*	.	H	α-helix	trans	-124.3	2.6	-174.1	-73.2	-18.7	0	0	0	115.3	D108	D108-H112 PolarHBondContact O-N 3.49Å
113	M	38.7	Very low	37.2	Very low	72 Å²	72	78.1 Å²	78.1	36%	0.355	43%	0.433	S	S	.	.			trans	-124.9	96.1	-175.6	-54.1	-163.2	69.1	0	0	111.7	L109 S115 V118	L109-M113 HydrophobicContact CD2-SD 3.36Å; L109-M113 WeakPolarHBondContact CD2-SD 3.08Å; L109-M113 VanDerWaalsContact O-CB 3.25Å; L109-M113 WeakPolarHBondContact O-CB 3.41Å; L109-M113 WeakPolarHBondContact O-CG 3.27Å; M113-S115 VanDerWaalsContact C-N 3.31Å; M113-S115 PolarHBondContact O-N 3.12Å; M113-V118 HydrophobicContact CE-CB 3.87Å; M113-V118 HydrophobicContact CE-CG1 3.45Å; M113-V118 VanDerWaalsContact CE-CG1 3.45Å; M113-V118 HydrophobicContact CE-CG2 3.63Å; M113-V118 HydrophobicContact SD-CG1 3.83Å
114	G	39	Very low	37.7	Very low	91 Å²	91	84.8 Å²	84.8	94%	0.938	46%	0.457	S	S	*	.			trans	-82.5	12.2	-178	0	0	0	0	0	115.9
115	S	53.6	Low	38.3	Very low	47 Å²	47	90.9 Å²	90.9	33%	0.329	48%	0.477	S	S	.	.			trans	-107.5	129.1	-176.9	78.3	0	0	0	0	113.4	M113 E117 V118	M113-S115 VanDerWaalsContact C-N 3.31Å; M113-S115 PolarHBondContact O-N 3.12Å; S115-E117 PolarHBondContact O-N 2.68Å; S115-V118 PolarHBondContact O-N 2.86Å; S115-V118 VanDerWaalsContact O-N 3.13Å; S115-V118 WeakPolarHBondContact OG-CG2 3.29Å
116	Y	39.2	Very low	38.4	Very low	142 Å²	142	92.6 Å²	92.6	56%	0.557	49%	0.488	S	S	*	.	H	α-helix	trans	-47.8	-37.7	170.4	177.1	-96.2	0	0	0	112.6	V118 I119 M120 I138	Y116-V118 PolarHBondContact O-N 3.19Å; Y116-I119 PolarHBondContact O-N 2.83Å; Y116-M120 HydrophobicContact CD1-CG 4.01Å; Y116-M120 HydrophobicContact CE1-CG 3.75Å; Y116-M120 HydrophobicContact CE1-SD 4.23Å; Y116-M120 WeakPolarHBondContact O-CB 3.3Å; Y116-M120 VanDerWaalsContact O-CG 3.24Å; Y116-M120 WeakPolarHBondContact O-CG 3.45Å; Y116-M120 PolarHBondContact O-N 2.78Å; Y116-I138 HydrophobicContact CD2-CG2 4.14Å; Y116-I138 HydrophobicContact CE2-CG2 3.32Å
117	E	47.3	Very low	38.7	Very low	138 Å²	138	95 Å²	95	65%	0.645	50%	0.497	S	S	*	.	H	α-helix	trans	-64.5	-34.8	-179.1	-67.9	-172.9	146.2	0	0	113.8	S115 M120 Q121	S115-E117 PolarHBondContact O-N 2.68Å; E117-M120 WeakPolarHBondContact O-CB 2.88Å; E117-M120 PolarHBondContact O-N 2.97Å; E117-Q121 WeakPolarHBondContact O-CB 3.13Å; E117-Q121 VanDerWaalsContact O-CG 3.31Å; E117-Q121 WeakPolarHBondContact O-CG 3.29Å; E117-Q121 PolarHBondContact O-N 3.39Å
118	V	45	Very low	38.8	Very low	40 Å²	40	95.7 Å²	95.7	24%	0.242	50%	0.502	C	S	.	.	H	α-helix	trans	-80.1	-34.4	-176.9	176	0	0	0	0	111.3	M113 S115 Y116 M120 Q121 A122	M113-V118 HydrophobicContact CE-CB 3.87Å; M113-V118 HydrophobicContact CE-CG1 3.45Å; M113-V118 VanDerWaalsContact CE-CG1 3.45Å; M113-V118 HydrophobicContact CE-CG2 3.63Å; M113-V118 HydrophobicContact SD-CG1 3.83Å; S115-V118 PolarHBondContact O-N 2.86Å; S115-V118 VanDerWaalsContact O-N 3.13Å; S115-V118 WeakPolarHBondContact OG-CG2 3.29Å; Y116-V118 PolarHBondContact O-N 3.19Å; V118-M120 VanDerWaalsContact C-N 3.31Å; V118-Q121 PolarHBondContact O-N 2.91Å; V118-A122 VanDerWaalsContact O-CB 3.3Å; V118-A122 WeakPolarHBondContact O-CB 3.23Å; V118-A122 PolarHBondContact O-N 3.37Å
119	I	40.9	Very low	38.9	Very low	91 Å²	91	94 Å²	94	47%	0.467	50%	0.495	S	S	.	.	H	α-helix	trans	-62.5	-42.7	169	-63.5	171	0	0	0	109.8	Y116 A122 L123	Y116-I119 PolarHBondContact O-N 2.83Å; I119-A122 PolarHBondContact O-N 3.03Å; I119-L123 HydrophobicContact CG2-CD1 3.77Å; I119-L123 HydrophobicContact CG2-CG 4.49Å; I119-L123 WeakPolarHBondContact O-CB 3.41Å; I119-L123 VanDerWaalsContact O-CG 3.32Å; I119-L123 WeakPolarHBondContact O-CG 3.46Å; I119-L123 PolarHBondContact O-N 2.87Å
120	M	40.2	Very low	39.4	Very low	22 Å²	22	93.3 Å²	93.3	11%	0.108	50%	0.498	C	S	.	.	H	α-helix	trans	-61.1	-44.4	173.5	-75.8	-75.2	-56.5	0	0	112.1	Y116 E117 V118 L123 R124 I138	Y116-M120 HydrophobicContact CD1-CG 4.01Å; Y116-M120 HydrophobicContact CE1-CG 3.75Å; Y116-M120 HydrophobicContact CE1-SD 4.23Å; Y116-M120 WeakPolarHBondContact O-CB 3.3Å; Y116-M120 VanDerWaalsContact O-CG 3.24Å; Y116-M120 WeakPolarHBondContact O-CG 3.45Å; Y116-M120 PolarHBondContact O-N 2.78Å; E117-M120 WeakPolarHBondContact O-CB 2.88Å; E117-M120 PolarHBondContact O-N 2.97Å; V118-M120 VanDerWaalsContact C-N 3.31Å; M120-L123 PolarHBondContact O-N 2.81Å; M120-R124 WeakPolarHBondContact O-CB 3.44Å; M120-R124 WeakPolarHBondContact O-CG 3.33Å; M120-R124 PolarHBondContact O-N 2.96Å; M120-I138 HydrophobicContact CG-CD1 3.92Å; M120-I138 HydrophobicContact SD-CD1 3.05Å; M120-I138 WeakPolarHBondContact SD-CD1 3.08Å; M120-I138 HydrophobicContact SD-CG1 4.39Å; M120-I138 HydrophobicContact SD-CG2 4.47Å
121	Q	46.7	Very low	39.7	Very low	94 Å²	94	92.8 Å²	92.8	44%	0.439	50%	0.503	S	S	.	.	H	α-helix	trans	-67.1	-40.1	177.7	-76.5	179.6	6.3	0	0	111.9	E117 V118 R124 R125	E117-Q121 WeakPolarHBondContact O-CB 3.13Å; E117-Q121 VanDerWaalsContact O-CG 3.31Å; E117-Q121 WeakPolarHBondContact O-CG 3.29Å; E117-Q121 PolarHBondContact O-N 3.39Å; V118-Q121 PolarHBondContact O-N 2.91Å; Q121-R124 PolarHBondContact O-N 3.32Å; Q121-R125 WeakPolarHBondContact O-CB 3.48Å; Q121-R125 WeakPolarHBondContact O-CG 3.14Å; Q121-R125 PolarHBondContact O-N 3.35Å
122	A	41.2	Very low	40.2	Very low	56 Å²	56	87.3 Å²	87.3	46%	0.463	49%	0.489	S	S	.	.	H	α-helix	trans	-63.3	-42.9	174.9	0	0	0	0	0	111.6	V118 I119 R125 V126	V118-A122 VanDerWaalsContact O-CB 3.3Å; V118-A122 WeakPolarHBondContact O-CB 3.23Å; V118-A122 PolarHBondContact O-N 3.37Å; I119-A122 PolarHBondContact O-N 3.03Å; A122-R125 PolarHBondContact O-N 3.16Å; A122-V126 PolarHBondContact O-N 3.17Å
123	L	36.7	Very low	40.5	Very low	50 Å²	50	83.2 Å²	83.2	26%	0.262	48%	0.475	S	S	.	.	H	α-helix	trans	-73.6	-30.9	177.3	-71.7	169.3	0	0	0	113.1	I119 M120 V126 T129 A134 I138	I119-L123 HydrophobicContact CG2-CD1 3.77Å; I119-L123 HydrophobicContact CG2-CG 4.49Å; I119-L123 WeakPolarHBondContact O-CB 3.41Å; I119-L123 VanDerWaalsContact O-CG 3.32Å; I119-L123 WeakPolarHBondContact O-CG 3.46Å; I119-L123 PolarHBondContact O-N 2.87Å; M120-L123 PolarHBondContact O-N 2.81Å; L123-V126 PolarHBondContact O-N 2.76Å; L123-T129 PolarHBondContact O-OG1 3.48Å; L123-A134 HydrophobicContact CB-CB 4.37Å; L123-I138 HydrophobicContact CD1-CD1 3.55Å; L123-I138 HydrophobicContact CD1-CG1 3.63Å
124	R	39.2	Very low	40.5	Very low	158 Å²	158	79.9 Å²	79.9	60%	0.596	46%	0.459	S	S	*	.	H	α-helix	trans	-72	-30.7	172.2	-76.4	172.1	178.6	178.9	2.2	112.8	M120 Q121 V126	M120-R124 WeakPolarHBondContact O-CB 3.44Å; M120-R124 WeakPolarHBondContact O-CG 3.33Å; M120-R124 PolarHBondContact O-N 2.96Å; Q121-R124 PolarHBondContact O-N 3.32Å; R124-V126 VanDerWaalsContact C-N 3.26Å; R124-V126 PolarHBondContact O-N 3.37Å
125	R	39.8	Very low	40.6	Very low	147 Å²	147	77 Å²	77	56%	0.555	43%	0.429	S	S	*	.	H	α-helix	trans	-74.3	-15.7	175.5	-76.5	174.9	-177.7	-176.5	4.4	113.1	Q121 A122 E127 Q219	Q121-R125 WeakPolarHBondContact O-CB 3.48Å; Q121-R125 WeakPolarHBondContact O-CG 3.14Å; Q121-R125 PolarHBondContact O-N 3.35Å; A122-R125 PolarHBondContact O-N 3.16Å; R125-E127 PolarHBondContact O-N 3.24Å; R125-E127 VanDerWaalsContact O-N 3.14Å; R125-Q219 VanDerWaalsContact NH1-NE2 3.19Å
126	V	32.4	Very low	40.4	Very low	68 Å²	68	82.5 Å²	82.5	41%	0.412	45%	0.447	S	S	.	.	S	Bend	trans	-79.2	90.4	164.8	-177.7	0	0	0	0	107	A122 L123 R124 A128 T129	A122-V126 PolarHBondContact O-N 3.17Å; L123-V126 PolarHBondContact O-N 2.76Å; R124-V126 VanDerWaalsContact C-N 3.26Å; R124-V126 PolarHBondContact O-N 3.37Å; V126-A128 HydrophobicContact CG1-CB 4.35Å; V126-A128 PolarHBondContact O-N 3.41Å; V126-T129 PolarHBondContact O-N 3.49Å; V126-T129 VanDerWaalsContact O-N 3.1Å; V126-T129 PolarHBondContact O-OG1 3.45Å; V126-T129 VanDerWaalsContact O-OG1 3.04Å
127	E	35.4	Very low	40.7	Very low	152 Å²	152	79 Å²	79	71%	0.71	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	3.1	-178.2	-73.9	-177.1	153.7	0	0	115.3	R125 F168	R125-E127 PolarHBondContact O-N 3.24Å; R125-E127 VanDerWaalsContact O-N 3.14Å; E127-F168 WeakPolarHBondContact OE2-CZ 3.25Å
128	A	31.4	Very low	40.6	Very low	70 Å²	70	72.7 Å²	72.7	58%	0.579	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-2.4	176.3	0	0	0	0	0	114.3	V126	V126-A128 HydrophobicContact CG1-CB 4.35Å; V126-A128 PolarHBondContact O-N 3.41Å
129	T	34.4	Very low	41	Very low	45 Å²	45	76.3 Å²	76.3	28%	0.276	43%	0.425	S	S	.	.	S	Bend	trans	-114.2	109.7	178.3	19.2	0	0	0	0	110.6	L123 V126 T133	L123-T129 PolarHBondContact O-OG1 3.48Å; V126-T129 PolarHBondContact O-N 3.49Å; V126-T129 VanDerWaalsContact O-N 3.1Å; V126-T129 PolarHBondContact O-OG1 3.45Å; V126-T129 VanDerWaalsContact O-OG1 3.04Å; T129-T133 HydrophobicContact CG2-CG2 3.94Å
130	S	41.2	Very low	41.4	Very low	73 Å²	73	80.5 Å²	80.5	51%	0.51	44%	0.435	S	S	.	.			trans	-52.3	150.7	169.6	80.2	0	0	0	0	110.2	G132 T133 A134	S130-G132 PolarHBondContact O-N 2.99Å; S130-T133 WeakPolarHBondContact O-CA 3.22Å; S130-T133 PolarHBondContact O-N 3.42Å; S130-T133 PolarHBondContact OG-N 3.42Å; S130-T133 PolarHBondContact OG-OG1 3.36Å; S130-A134 PolarHBondContact O-N 3.16Å
131	A	39.6	Very low	41.7	Very low	83 Å²	83	81.6 Å²	81.6	69%	0.686	44%	0.441	S	S	*	.	H	α-helix	trans	-51.5	-33.9	177.2	0	0	0	0	0	112.3	G135	A131-G135 PolarHBondContact O-N 3.45Å
132	G	44.5	Very low	41.8	Very low	43 Å²	43	81.1 Å²	81.1	44%	0.443	44%	0.444	S	S	.	.	H	α-helix	trans	-69.8	-34.5	174.5	0	0	0	0	0	114	S130 K136	S130-G132 PolarHBondContact O-N 2.99Å; G132-K136 WeakPolarHBondContact O-CB 3.19Å; G132-K136 VanDerWaalsContact O-CG 3.24Å; G132-K136 WeakPolarHBondContact O-CG 3.3Å; G132-K136 PolarHBondContact O-N 2.98Å
133	T	43.4	Very low	42.4	Very low	65 Å²	65	84 Å²	84	40%	0.399	45%	0.452	S	S	.	.	H	α-helix	trans	-74.1	-43.7	177.8	-43.1	0	0	0	0	111.3	T129 S130 G135 K136 V137	T129-T133 HydrophobicContact CG2-CG2 3.94Å; S130-T133 WeakPolarHBondContact O-CA 3.22Å; S130-T133 PolarHBondContact O-N 3.42Å; S130-T133 PolarHBondContact OG-N 3.42Å; S130-T133 PolarHBondContact OG-OG1 3.36Å; T133-G135 VanDerWaalsContact C-N 3.34Å; T133-K136 PolarHBondContact O-N 3Å; T133-V137 WeakPolarHBondContact O-CG2 3.33Å; T133-V137 PolarHBondContact O-N 3.1Å
134	A	40.5	Very low	43.3	Very low	3 Å²	3	84.7 Å²	84.7	3%	0.025	46%	0.456	C	S	.	.	H	α-helix	trans	-60.9	-44.8	174	0	0	0	0	0	110.9	L123 S130 K136 V137 I138	L123-A134 HydrophobicContact CB-CB 4.37Å; S130-A134 PolarHBondContact O-N 3.16Å; A134-K136 PolarHBondContact O-N 3.37Å; A134-V137 PolarHBondContact O-N 2.84Å; A134-I138 WeakPolarHBondContact O-CB 3.38Å; A134-I138 WeakPolarHBondContact O-CD1 3.2Å; A134-I138 VanDerWaalsContact O-CG1 3.22Å; A134-I138 WeakPolarHBondContact O-CG1 3.09Å; A134-I138 PolarHBondContact O-N 3.11Å
135	G	40.7	Very low	43.8	Very low	29 Å²	29	80.3 Å²	80.3	30%	0.299	45%	0.454	S	S	.	.	H	α-helix	trans	-59.4	-42.9	175.2	0	0	0	0	0	113.4	A131 T133 I138 H139	A131-G135 PolarHBondContact O-N 3.45Å; T133-G135 VanDerWaalsContact C-N 3.34Å; G135-I138 PolarHBondContact O-N 3.47Å; G135-H139 WeakPolarHBondContact O-CB 3.03Å; G135-H139 PolarHBondContact O-N 2.87Å
136	K	49.8	Very low	44.7	Very low	163 Å²	163	83.5 Å²	83.5	71%	0.709	47%	0.466	S	S	*	.	H	α-helix	trans	-66.3	-42	177.2	-76.8	173.6	-177.7	-177.6	0	113	G132 T133 A134 I138 R140	G132-K136 WeakPolarHBondContact O-CB 3.19Å; G132-K136 VanDerWaalsContact O-CG 3.24Å; G132-K136 WeakPolarHBondContact O-CG 3.3Å; G132-K136 PolarHBondContact O-N 2.98Å; T133-K136 PolarHBondContact O-N 3Å; A134-K136 PolarHBondContact O-N 3.37Å; K136-I138 VanDerWaalsContact C-N 3.33Å; K136-R140 WeakPolarHBondContact O-CB 3.13Å; K136-R140 PolarHBondContact O-N 2.96Å
137	V	44.6	Very low	45.4	Very low	68 Å²	68	82.9 Å²	82.9	41%	0.412	46%	0.46	S	S	.	.	H	α-helix	trans	-64.2	-42	177.9	171.4	0	0	0	0	110.3	T133 A134 R140 L141	T133-V137 WeakPolarHBondContact O-CG2 3.33Å; T133-V137 PolarHBondContact O-N 3.1Å; A134-V137 PolarHBondContact O-N 2.84Å; V137-R140 PolarHBondContact O-N 3.42Å; V137-L141 HydrophobicContact CG1-CD1 3.94Å; V137-L141 VanDerWaalsContact O-CG 3.28Å; V137-L141 WeakPolarHBondContact O-CG 2.92Å; V137-L141 PolarHBondContact O-N 3.11Å
138	I	45.8	Very low	45.9	Very low	7 Å²	7	78.1 Å²	78.1	4%	0.036	44%	0.439	C	S	.	.	H	α-helix	trans	-72.7	-43.6	-179.9	-68.1	166	0	0	0	111.3	Y116 M120 L123 A134 G135 K136 R140 L141 T142	Y116-I138 HydrophobicContact CD2-CG2 4.14Å; Y116-I138 HydrophobicContact CE2-CG2 3.32Å; M120-I138 HydrophobicContact CG-CD1 3.92Å; M120-I138 HydrophobicContact SD-CD1 3.05Å; M120-I138 WeakPolarHBondContact SD-CD1 3.08Å; M120-I138 HydrophobicContact SD-CG1 4.39Å; M120-I138 HydrophobicContact SD-CG2 4.47Å; L123-I138 HydrophobicContact CD1-CD1 3.55Å; L123-I138 HydrophobicContact CD1-CG1 3.63Å; A134-I138 WeakPolarHBondContact O-CB 3.38Å; A134-I138 WeakPolarHBondContact O-CD1 3.2Å; A134-I138 VanDerWaalsContact O-CG1 3.22Å; A134-I138 WeakPolarHBondContact O-CG1 3.09Å; A134-I138 PolarHBondContact O-N 3.11Å; G135-I138 PolarHBondContact O-N 3.47Å; K136-I138 VanDerWaalsContact C-N 3.33Å; I138-R140 PolarHBondContact O-N 3.39Å; I138-L141 CarbonylContact O-C 3.55Å; I138-L141 PolarHBondContact O-N 3.02Å; I138-L141 VanDerWaalsContact O-N 3.07Å; I138-T142 WeakPolarHBondContact O-CB 3.09Å; I138-T142 PolarHBondContact O-N 2.81Å; I138-T142 PolarHBondContact O-OG1 3.18Å
139	H	52.4	Low	46.8	Very low	116 Å²	116	78.9 Å²	78.9	54%	0.537	43%	0.433	S	S	.	.	H	α-helix	trans	-54.7	-41.1	172.6	-179.3	11.1	0	0	0	111.4	G135 T142 N143	G135-H139 WeakPolarHBondContact O-CB 3.03Å; G135-H139 PolarHBondContact O-N 2.87Å; H139-T142 PolarHBondContact O-N 2.98Å; H139-N143 PolarHBondContact CE1-ND2 3.29Å; H139-N143 PolarHBondContact ND1-ND2 2.74Å; H139-N143 VanDerWaalsContact ND1-ND2 3.16Å; H139-N143 WeakPolarHBondContact O-CB 3.07Å; H139-N143 PolarHBondContact O-N 3.27Å
140	R	49.3	Very low	47.4	Very low	178 Å²	178	78.8 Å²	78.8	67%	0.672	44%	0.437	S	S	*	.	H	α-helix	trans	-67.3	-42.2	175.7	-154.1	177.3	-175.2	173.6	1.7	112.1	K136 V137 I138 T142 D144 L147	K136-R140 WeakPolarHBondContact O-CB 3.13Å; K136-R140 PolarHBondContact O-N 2.96Å; V137-R140 PolarHBondContact O-N 3.42Å; I138-R140 PolarHBondContact O-N 3.39Å; R140-T142 VanDerWaalsContact C-N 3.35Å; R140-D144 WeakPolarHBondContact O-CB 3.33Å; R140-D144 PolarHBondContact O-N 2.78Å; R140-D144 VanDerWaalsContact O-N 3.1Å; R140-L147 HydrophobicContact CB-CD2 4.3Å; R140-L147 HydrophobicContact CG-CD2 3.78Å
141	L	47.1	Very low	47.5	Very low	45 Å²	45	77.6 Å²	77.6	24%	0.236	43%	0.426	C	S	.	.	H	α-helix	trans	-70.6	-27.3	177	-71.1	169.2	0	0	0	113.7	V137 I138 L147 L148 V151	V137-L141 HydrophobicContact CG1-CD1 3.94Å; V137-L141 VanDerWaalsContact O-CG 3.28Å; V137-L141 WeakPolarHBondContact O-CG 2.92Å; V137-L141 PolarHBondContact O-N 3.11Å; I138-L141 CarbonylContact O-C 3.55Å; I138-L141 PolarHBondContact O-N 3.02Å; I138-L141 VanDerWaalsContact O-N 3.07Å; L141-L147 HydrophobicContact CD2-CD2 4.02Å; L141-L147 HydrophobicContact CD2-CG 4.03Å; L141-L148 WeakPolarHBondContact O-CB 3.42Å; L141-V151 HydrophobicContact CD2-CB 4.44Å; L141-V151 HydrophobicContact CD2-CG2 3.88Å
142	T	47.7	Very low	47.8	Very low	84 Å²	84	80.7 Å²	80.7	52%	0.515	42%	0.42	S	S	.	.	H	α-helix	trans	-84.1	-35.2	-177.8	-43.2	0	0	0	0	111.1	I138 H139 R140	I138-T142 WeakPolarHBondContact O-CB 3.09Å; I138-T142 PolarHBondContact O-N 2.81Å; I138-T142 PolarHBondContact O-OG1 3.18Å; H139-T142 PolarHBondContact O-N 2.98Å; R140-T142 VanDerWaalsContact C-N 3.35Å
143	N	54.6	Low	47.9	Very low	117 Å²	117	86.5 Å²	86.5	63%	0.626	43%	0.429	S	S	*	.	H	α-helix	trans	-98	-13.3	-175.3	-69.5	13.3	0	0	0	114.1	H139	H139-N143 PolarHBondContact CE1-ND2 3.29Å; H139-N143 PolarHBondContact ND1-ND2 2.74Å; H139-N143 VanDerWaalsContact ND1-ND2 3.16Å; H139-N143 WeakPolarHBondContact O-CB 3.07Å; H139-N143 PolarHBondContact O-N 3.27Å
144	D	54.8	Low	47.7	Very low	64 Å²	64	88.8 Å²	88.8	34%	0.342	44%	0.435	S	S	.	.			trans	-107	87.5	175.9	-170.3	-17.9	0	0	0	109.2	R140 R146 L147 L148	R140-D144 WeakPolarHBondContact O-CB 3.33Å; R140-D144 PolarHBondContact O-N 2.78Å; R140-D144 VanDerWaalsContact O-N 3.1Å; D144-R146 PolarHBondContact O-N 2.75Å; D144-R146 WeakPolarHBondContact OD1-CA 3.43Å; D144-R146 WeakPolarHBondContact OD1-CB 3.07Å; D144-R146 PolarHBondContact OD1-N 3.32Å; D144-R146 VanDerWaalsContact OD1-N 3.11Å; D144-L147 HydrophobicContact CB-CB 3.6Å; D144-L147 HydrophobicContact CB-CD2 4.39Å; D144-L147 CarbonylContact O-C 3.55Å; D144-L147 WeakPolarHBondContact O-CB 3.5Å; D144-L147 PolarHBondContact O-N 3.43Å; D144-L147 PolarHBondContact OD1-N 3.14Å; D144-L147 WeakPolarHBondContact OD2-CB 3.43Å; D144-L148 PolarHBondContact O-N 2.8Å
145	A	50.7	Low	47.7	Very low	66 Å²	66	92.9 Å²	92.9	55%	0.545	46%	0.456	S	S	.	.	H	α-helix	trans	-57.8	-28.3	177.3	0	0	0	0	0	112.2	N149	A145-N149 VanDerWaalsContact O-CB 3.25Å; A145-N149 WeakPolarHBondContact O-CB 3.04Å; A145-N149 VanDerWaalsContact O-CG 3.31Å; A145-N149 PolarHBondContact O-N 3.31Å; A145-N149 PolarHBondContact O-ND2 3.45Å
146	R	59.2	Low	47.4	Very low	215 Å²	215	95.5 Å²	95.5	81%	0.811	48%	0.475	S	S	*	.	H	α-helix	trans	-72.2	-43.8	173.9	-66.5	-179.5	177.5	174.9	-0.4	110.6	D144 N149 A150	D144-R146 PolarHBondContact O-N 2.75Å; D144-R146 WeakPolarHBondContact OD1-CA 3.43Å; D144-R146 WeakPolarHBondContact OD1-CB 3.07Å; D144-R146 PolarHBondContact OD1-N 3.32Å; D144-R146 VanDerWaalsContact OD1-N 3.11Å; R146-N149 PolarHBondContact O-N 3.46Å; R146-A150 WeakPolarHBondContact O-CA 3.14Å; R146-A150 WeakPolarHBondContact O-CB 3.09Å; R146-A150 PolarHBondContact O-N 3.35Å
147	L	46.2	Very low	46.8	Very low	54 Å²	54	94.4 Å²	94.4	28%	0.283	47%	0.472	S	S	.	.	H	α-helix	trans	-64	-42.7	174.6	-175.2	67	0	0	0	111.5	R140 L141 D144 A150 V151	R140-L147 HydrophobicContact CB-CD2 4.3Å; R140-L147 HydrophobicContact CG-CD2 3.78Å; L141-L147 HydrophobicContact CD2-CD2 4.02Å; L141-L147 HydrophobicContact CD2-CG 4.03Å; D144-L147 HydrophobicContact CB-CB 3.6Å; D144-L147 HydrophobicContact CB-CD2 4.39Å; D144-L147 CarbonylContact O-C 3.55Å; D144-L147 WeakPolarHBondContact O-CB 3.5Å; D144-L147 PolarHBondContact O-N 3.43Å; D144-L147 PolarHBondContact OD1-N 3.14Å; D144-L147 WeakPolarHBondContact OD2-CB 3.43Å; L147-A150 CarbonylContact O-C 3.58Å; L147-A150 PolarHBondContact O-N 3.49Å; L147-V151 HydrophobicContact CD1-CG2 4.41Å; L147-V151 HydrophobicContact CG-CG2 4.43Å; L147-V151 VanDerWaalsContact O-CB 3.3Å; L147-V151 WeakPolarHBondContact O-CB 3.37Å; L147-V151 WeakPolarHBondContact O-CG2 3.32Å; L147-V151 PolarHBondContact O-N 3.16Å
148	L	45.1	Very low	46.2	Very low	53 Å²	53	95.4 Å²	95.4	28%	0.277	47%	0.473	S	S	.	.	H	α-helix	trans	-62.1	-45.3	175.9	-175.5	62.6	0	0	0	111.3	L141 D144 V151 R152	L141-L148 WeakPolarHBondContact O-CB 3.42Å; D144-L148 PolarHBondContact O-N 2.8Å; L148-V151 PolarHBondContact O-N 3.22Å; L148-R152 WeakPolarHBondContact O-CB 3.47Å; L148-R152 VanDerWaalsContact O-CG 3.22Å; L148-R152 WeakPolarHBondContact O-CG 3.31Å; L148-R152 PolarHBondContact O-N 3.27Å
149	N	50.8	Low	45.4	Very low	86 Å²	86	100 Å²	100	46%	0.46	50%	0.5	S	S	.	.	H	α-helix	trans	-71.6	-29.8	176.5	-75.8	-25.8	0	0	0	112.7	A145 R146 R153	A145-N149 VanDerWaalsContact O-CB 3.25Å; A145-N149 WeakPolarHBondContact O-CB 3.04Å; A145-N149 VanDerWaalsContact O-CG 3.31Å; A145-N149 PolarHBondContact O-N 3.31Å; A145-N149 PolarHBondContact O-ND2 3.45Å; R146-N149 PolarHBondContact O-N 3.46Å; N149-R153 VanDerWaalsContact O-CB 3.23Å; N149-R153 WeakPolarHBondContact O-CB 3.48Å; N149-R153 PolarHBondContact O-N 3.43Å
150	A	47.8	Very low	44.3	Very low	43 Å²	43	100.7 Å²	100.7	36%	0.355	50%	0.504	S	S	.	.	H	α-helix	trans	-71.6	-36.2	172.1	0	0	0	0	0	111.2	R146 L147 Q154	R146-A150 WeakPolarHBondContact O-CA 3.14Å; R146-A150 WeakPolarHBondContact O-CB 3.09Å; R146-A150 PolarHBondContact O-N 3.35Å; L147-A150 CarbonylContact O-C 3.58Å; L147-A150 PolarHBondContact O-N 3.49Å; A150-Q154 WeakPolarHBondContact O-CA 3.49Å; A150-Q154 WeakPolarHBondContact O-CB 3.4Å; A150-Q154 WeakPolarHBondContact O-CG 3.03Å; A150-Q154 PolarHBondContact O-N 2.79Å
151	V	43.2	Very low	43.3	Very low	47 Å²	47	95.3 Å²	95.3	29%	0.285	49%	0.485	S	S	.	.	H	α-helix	trans	-70.6	-41.7	172.9	168.2	0	0	0	0	109.9	L141 L147 L148 Q154 L155	L141-V151 HydrophobicContact CD2-CB 4.44Å; L141-V151 HydrophobicContact CD2-CG2 3.88Å; L147-V151 HydrophobicContact CD1-CG2 4.41Å; L147-V151 HydrophobicContact CG-CG2 4.43Å; L147-V151 VanDerWaalsContact O-CB 3.3Å; L147-V151 WeakPolarHBondContact O-CB 3.37Å; L147-V151 WeakPolarHBondContact O-CG2 3.32Å; L147-V151 PolarHBondContact O-N 3.16Å; L148-V151 PolarHBondContact O-N 3.22Å; V151-Q154 PolarHBondContact O-N 3.22Å; V151-L155 HydrophobicContact CG1-CD1 3.69Å; V151-L155 HydrophobicContact CG1-CG 4.36Å; V151-L155 WeakPolarHBondContact O-CB 3.19Å; V151-L155 WeakPolarHBondContact O-CD1 3.5Å; V151-L155 WeakPolarHBondContact O-CG 3.12Å; V151-L155 PolarHBondContact O-N 2.72Å
152	R	46.2	Very low	42.3	Very low	148 Å²	148	102.7 Å²	102.7	56%	0.558	51%	0.51	S	S	*	.	H	α-helix	trans	-64.8	-44.5	173.1	-74.4	171.4	174.8	175.7	-2.7	112	L148 L155 A156	L148-R152 WeakPolarHBondContact O-CB 3.47Å; L148-R152 VanDerWaalsContact O-CG 3.22Å; L148-R152 WeakPolarHBondContact O-CG 3.31Å; L148-R152 PolarHBondContact O-N 3.27Å; R152-L155 CarbonylContact O-C 3.54Å; R152-L155 PolarHBondContact O-N 2.78Å; R152-A156 WeakPolarHBondContact O-CB 3.34Å; R152-A156 PolarHBondContact O-N 2.68Å
153	R	46.1	Very low	41.2	Very low	166 Å²	166	105.2 Å²	105.2	63%	0.626	52%	0.516	S	S	*	.	H	α-helix	trans	-65.9	-41.7	172.7	-92.8	-169.7	-168.9	162.7	3.5	111.5	N149 L155 A156 E157	N149-R153 VanDerWaalsContact O-CB 3.23Å; N149-R153 WeakPolarHBondContact O-CB 3.48Å; N149-R153 PolarHBondContact O-N 3.43Å; R153-L155 VanDerWaalsContact C-N 3.3Å; R153-L155 PolarHBondContact O-N 2.8Å; R153-A156 PolarHBondContact O-N 3.19Å; R153-E157 WeakPolarHBondContact O-CA 3.19Å; R153-E157 WeakPolarHBondContact O-CB 3.32Å; R153-E157 WeakPolarHBondContact O-CG 3.27Å; R153-E157 PolarHBondContact O-N 2.9Å
154	Q	39.7	Very low	39.9	Very low	113 Å²	113	101.4 Å²	101.4	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-64.9	-37.8	173.7	-79.5	-175.5	-1.8	0	0	110.7	A150 V151 A156 Q158	A150-Q154 WeakPolarHBondContact O-CA 3.49Å; A150-Q154 WeakPolarHBondContact O-CB 3.4Å; A150-Q154 WeakPolarHBondContact O-CG 3.03Å; A150-Q154 PolarHBondContact O-N 2.79Å; V151-Q154 PolarHBondContact O-N 3.22Å; Q154-A156 VanDerWaalsContact C-N 3.35Å; Q154-A156 PolarHBondContact O-N 3.44Å; Q154-Q158 CarbonylContact O-C 3.51Å; Q154-Q158 WeakPolarHBondContact O-CA 3.23Å; Q154-Q158 WeakPolarHBondContact O-CB 3.32Å; Q154-Q158 PolarHBondContact O-N 3.48Å
155	L	39.7	Very low	38.5	Very low	88 Å²	88	106.6 Å²	106.6	46%	0.461	52%	0.521	S	S	.	.	H	α-helix	trans	-70.2	-29.7	174.7	-72.2	165.8	0	0	0	112.7	V110 V151 R152 R153	V110-L155 HydrophobicContact CG1-CD1 4.32Å; V151-L155 HydrophobicContact CG1-CD1 3.69Å; V151-L155 HydrophobicContact CG1-CG 4.36Å; V151-L155 WeakPolarHBondContact O-CB 3.19Å; V151-L155 WeakPolarHBondContact O-CD1 3.5Å; V151-L155 WeakPolarHBondContact O-CG 3.12Å; V151-L155 PolarHBondContact O-N 2.72Å; R152-L155 CarbonylContact O-C 3.54Å; R152-L155 PolarHBondContact O-N 2.78Å; R153-L155 VanDerWaalsContact C-N 3.3Å; R153-L155 PolarHBondContact O-N 2.8Å
156	A	35.5	Very low	37.3	Very low	85 Å²	85	106.6 Å²	106.6	70%	0.702	52%	0.516	S	S	*	.	H	α-helix	trans	-92.4	-36.1	-177.9	0	0	0	0	0	114.5	R152 R153 Q154	R152-A156 WeakPolarHBondContact O-CB 3.34Å; R152-A156 PolarHBondContact O-N 2.68Å; R153-A156 PolarHBondContact O-N 3.19Å; Q154-A156 VanDerWaalsContact C-N 3.35Å; Q154-A156 PolarHBondContact O-N 3.44Å
157	E	36.7	Very low	35.6	Very low	139 Å²	139	98.8 Å²	98.8	65%	0.65	49%	0.494	S	S	*	.	H	α-helix	trans	-98.9	-17.5	179.5	-61.3	173.8	161.7	0	0	111.7	R153	R153-E157 WeakPolarHBondContact O-CA 3.19Å; R153-E157 WeakPolarHBondContact O-CB 3.32Å; R153-E157 WeakPolarHBondContact O-CG 3.27Å; R153-E157 PolarHBondContact O-N 2.9Å
158	Q	30.9	Very low	34.6	Very low	90 Å²	90	102 Å²	102	42%	0.421	51%	0.506	S	S	.	.			trans	-132.6	84.7	179.3	-49.4	-170.8	1.9	0	0	111.2	Q154 H160	Q154-Q158 CarbonylContact O-C 3.51Å; Q154-Q158 WeakPolarHBondContact O-CA 3.23Å; Q154-Q158 WeakPolarHBondContact O-CB 3.32Å; Q154-Q158 PolarHBondContact O-N 3.48Å; Q158-H160 HydrophobicContact CB-CB 4.05Å; Q158-H160 PolarHBondContact O-N 2.95Å
159	V	29.5	Very low	33.5	Very low	102 Å²	102	103.2 Å²	103.2	62%	0.618	52%	0.517	S	S	*	.			trans	-68.1	59.7	145.6	-172.9	0	0	0	0	108.1	F161	V159-F161 HydrophobicContact CG1-CD2 3.99Å; V159-F161 HydrophobicContact CG1-CE2 3.98Å
160	H	29.5	Very low	32.2	Very low	132 Å²	132	103.3 Å²	103.3	61%	0.611	53%	0.525	S	S	*	.			trans	-113.4	72.9	167.5	-68.6	-41.5	0	0	0	107	Q158 R162	Q158-H160 HydrophobicContact CB-CB 4.05Å; Q158-H160 PolarHBondContact O-N 2.95Å; H160-R162 VanDerWaalsContact C-N 3.3Å; H160-R162 PolarHBondContact O-N 3.38Å
161	F	28.9	Very low	31	Very low	64 Å²	64	111 Å²	111	28%	0.281	55%	0.553	S	S	.	*			trans	-62.5	94	165.8	-74.1	-78.3	0	0	0	108.9	L103 V159 V182	L103-F161 HydrophobicContact CD1-CB 3.53Å; L103-F161 HydrophobicContact CD1-CD1 3.84Å; L103-F161 HydrophobicContact CD1-CD2 3.73Å; L103-F161 HydrophobicContact CD1-CE2 4.41Å; L103-F161 HydrophobicContact CD1-CG 3.4Å; L103-F161 VanDerWaalsContact CD1-CG 3.4Å; L103-F161 HydrophobicContact CD2-CD1 3.33Å; L103-F161 HydrophobicContact CD2-CD2 3.77Å; L103-F161 HydrophobicContact CD2-CE1 3.18Å; L103-F161 HydrophobicContact CD2-CE2 3.63Å; L103-F161 HydrophobicContact CD2-CG 3.63Å; L103-F161 HydrophobicContact CD2-CZ 3.35Å; L103-F161 HydrophobicContact CG-CD1 4.22Å; L103-F161 HydrophobicContact CG-CD2 4.23Å; L103-F161 HydrophobicContact CG-CE1 4.44Å; L103-F161 HydrophobicContact CG-CE2 4.44Å; L103-F161 HydrophobicContact CG-CG 4.12Å; V159-F161 HydrophobicContact CG1-CD2 3.99Å; V159-F161 HydrophobicContact CG1-CE2 3.98Å; F161-V182 HydrophobicContact CD2-CG2 4.41Å
162	R	25.1	Very low	30.2	Very low	201 Å²	201	112.2 Å²	112.2	76%	0.758	58%	0.576	S	S	*	*			trans	-84.4	-16.1	173.8	-80.9	-171.1	173.1	-167.2	-0.4	113.2	H160	H160-R162 VanDerWaalsContact C-N 3.3Å; H160-R162 PolarHBondContact O-N 3.38Å
163	H	25.2	Very low	29.3	Very low	136 Å²	136	111.2 Å²	111.2	63%	0.63	58%	0.58	S	S	*	*			trans	-150.1	123	-176.6	-54.3	95.4	0	0	0	112.6	F165	H163-F165 HydrophobicContact CB-CE2 4.04Å
164	A	26.4	Very low	28.3	Very low	38 Å²	38	114.3 Å²	114.3	31%	0.314	59%	0.592	S	S	.	*			trans	-128	119.8	160.9	0	0	0	0	0	107.4	W180	A164-W180 HydrophobicContact CB-CB 4.28Å; A164-W180 HydrophobicContact CB-CG 3.93Å; A164-W180 PolarHBondContact O-NE1 3.34Å
165	F	26.4	Very low	27.7	Very low	173 Å²	173	118.6 Å²	118.6	76%	0.759	60%	0.603	S	S	*	*			trans	-88.6	130.5	-176.5	-69.6	-89	0	0	0	110.1	H163 C167	H163-F165 HydrophobicContact CB-CE2 4.04Å; F165-C167 PolarHBondContact O-N 2.84Å
166	C	25.9	Very low	27.3	Very low	66 Å²	66	123.5 Å²	123.5	45%	0.446	62%	0.616	S	S	.	*			trans	-81.2	109.4	168.9	-178.1	0	0	0	0	108.9	V177	C166-V177 HydrophobicContact CB-CB 3.52Å; C166-V177 HydrophobicContact CB-CG1 3.77Å; C166-V177 HydrophobicContact CB-CG2 3.73Å
167	C	22.4	Very low	27.2	Very low	51 Å²	51	121.7 Å²	121.7	35%	0.345	60%	0.596	S	S	.	*			trans	-102.2	75.7	173	-67.7	0	0	0	0	109.2	F165	F165-C167 PolarHBondContact O-N 2.84Å
168	F	25.5	Very low	27.1	Very low	121 Å²	121	120 Å²	120	53%	0.531	60%	0.596	S	S	.	*			trans	-165.5	83.5	155.6	-97.6	-70.4	0	0	0	108.6	E127 W211	E127-F168 WeakPolarHBondContact OE2-CZ 3.25Å; F168-W211 AromaticContact CD2-CZ2 3.81Å; F168-W211 HydrophobicContact CD2-CZ2 3.81Å; F168-W211 AromaticContact CD2-NE1 3.97Å; F168-W211 HydrophobicContact CE2-CZ2 4.22Å
169	C	22.4	Very low	27.3	Very low	78 Å²	78	121.6 Å²	121.6	53%	0.527	60%	0.603	S	S	.	*			trans	-92.4	84.1	156.2	-59.6	0	0	0	0	105.7	E171 I173	C169-E171 PolarHBondContact O-N 3.36Å; C169-I173 PolarHBondContact SG-O 3.25Å
170	S	23.1	Very low	27.7	Very low	88 Å²	88	118.3 Å²	118.3	62%	0.615	58%	0.579	S	S	*	*			trans	-56.7	136.4	155.7	48.8	0	0	0	0	107.1	G172	S170-G172 PolarHBondContact O-N 2.96Å; S170-G172 VanDerWaalsContact O-N 3.1Å
171	E	23.2	Very low	28	Very low	204 Å²	204	120.4 Å²	120.4	95%	0.953	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-29.5	108.8	-172.6	-65.2	166.6	150	0	0	113.1	C169	C169-E171 PolarHBondContact O-N 3.36Å
172	G	25.9	Very low	28.5	Very low	74 Å²	74	119 Å²	119	76%	0.763	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	127.3	-18.3	170.8	0	0	0	0	0	117.6	S170	S170-G172 PolarHBondContact O-N 2.96Å; S170-G172 VanDerWaalsContact O-N 3.1Å
173	I	26.6	Very low	29.3	Very low	127 Å²	127	113 Å²	113	65%	0.651	56%	0.559	S	S	*	*			trans	-112.2	61.1	-177.2	-52.2	170.4	0	0	0	110.8	C169 R175	C169-I173 PolarHBondContact SG-O 3.25Å; I173-R175 PolarHBondContact O-N 3.15Å; I173-R175 VanDerWaalsContact O-N 3.14Å
174	R	25.9	Very low	30.1	Very low	231 Å²	231	111 Å²	111	87%	0.872	55%	0.553	S	S	*	*			trans	-76.3	15.2	-177.2	-82.9	-173.4	177.6	-175.4	0.9	115.8
175	R	27.6	Very low	30.6	Very low	203 Å²	203	111.9 Å²	111.9	77%	0.766	56%	0.561	S	S	*	*	S	Bend	trans	-132.5	106.7	-171.3	-70.2	-173.6	177.4	-169.9	-0.3	113.2	I173	I173-R175 PolarHBondContact O-N 3.15Å; I173-R175 VanDerWaalsContact O-N 3.14Å
176	R	31.3	Very low	31.3	Very low	190 Å²	190	106.1 Å²	106.1	72%	0.717	54%	0.537	S	S	*	.			trans	80.9	96.7	150.2	-53.7	168.8	-174.1	-169.9	0.2	113.8	Q202	R176-Q202 PolarHBondContact O-NE2 2.97Å
177	V	33.3	Very low	32.1	Very low	48 Å²	48	110.2 Å²	110.2	29%	0.291	55%	0.55	S	S	.	.			trans	-127.9	87.5	140.1	-173.7	0	0	0	0	106.3	C166	C166-V177 HydrophobicContact CB-CB 3.52Å; C166-V177 HydrophobicContact CB-CG1 3.77Å; C166-V177 HydrophobicContact CB-CG2 3.73Å
178	T	34	Very low	32.8	Very low	104 Å²	104	107.9 Å²	107.9	64%	0.638	53%	0.534	S	S	*	.			trans	-101.6	-22.5	-163.8	30.8	0	0	0	0	114.4
179	Q	36.1	Very low	33.3	Very low	123 Å²	123	107.7 Å²	107.7	58%	0.575	55%	0.545	S	S	*	.			trans	-152.5	126.2	-174.5	-65.7	-179.1	-15.9	0	0	112.9
180	W	38	Very low	34	Very low	32 Å²	32	109 Å²	109	12%	0.121	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.2	135.4	164.3	-61.8	75.5	0	0	0	107.4	A102 A164 V198 V200 A208	A102-W180 HydrophobicContact CB-CD2 4.49Å; A102-W180 HydrophobicContact CB-CE3 3.69Å; A102-W180 HydrophobicContact CB-CH2 3.72Å; A102-W180 HydrophobicContact CB-CZ3 3.26Å; A164-W180 HydrophobicContact CB-CB 4.28Å; A164-W180 HydrophobicContact CB-CG 3.93Å; A164-W180 PolarHBondContact O-NE1 3.34Å; W180-V198 HydrophobicContact CE3-CG1 3.98Å; W180-V200 HydrophobicContact CE3-CG2 4.03Å; W180-V200 HydrophobicContact CZ3-CG2 3.78Å; W180-A208 HydrophobicContact CH2-CB 4.43Å
181	R	35.8	Very low	34.6	Very low	176 Å²	176	106.1 Å²	106.1	66%	0.664	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.5	172.7	-175.4	177.4	-179.9	177.1	0.2	109	V198 T199	R181-V198 CarbonylContact O-C 3.55Å; R181-V198 WeakPolarHBondContact O-CA 3.25Å; R181-T199 PolarHBondContact N-O 3.26Å; R181-T199 PolarHBondContact O-N 3.49Å
182	V	39.4	Very low	35.2	Very low	34 Å²	34	108.2 Å²	108.2	21%	0.206	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	122.8	165.3	-179.3	0	0	0	0	107.1	L103 F161 I196 D197 V198	L103-V182 HydrophobicContact CB-CG2 4.06Å; L103-V182 HydrophobicContact CD1-CG2 3.49Å; L103-V182 VanDerWaalsContact CD1-CG2 3.49Å; L103-V182 HydrophobicContact CG-CG2 4.4Å; F161-V182 HydrophobicContact CD2-CG2 4.41Å; V182-I196 HydrophobicContact CG1-CG2 3.61Å; V182-I196 HydrophobicContact CG2-CG2 4.44Å; V182-D197 CarbonylContact C-O 3.58Å; V182-D197 WeakPolarHBondContact CA-O 3.07Å; V182-V198 HydrophobicContact CG2-CG2 4.33Å
183	E	41.7	Very low	35.6	Very low	76 Å²	76	104.9 Å²	104.9	36%	0.355	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-38.6	-178.7	-71.1	-169.1	177	0	0	112.1	K54 R99 D197 T199	K54-E183 IonicContact NZ-OE2 3.79Å; K54-E183 PolarHBondContact NZ-OE2 3.22Å; R99-E183 IonicContact NH1-OE1 2.73Å; E183-D197 HydrophobicContact CB-CB 4.38Å; E183-D197 PolarHBondContact N-O 3.31Å; E183-T199 WeakPolarHBondContact OE1-CB 3.43Å; E183-T199 PolarHBondContact OE1-OG1 3.36Å
184	N	41.4	Very low	36.1	Very low	93 Å²	93	102.3 Å²	102.3	50%	0.497	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	155.8	-177.6	-158.5	8.3	0	0	0	111.9	D197	N184-D197 HydrophobicContact CB-CB 4.04Å; N184-D197 WeakPolarHBondContact O-CB 3.43Å; N184-D197 PolarHBondContact O-N 3.22Å
185	A	37.5	Very low	36.7	Very low	58 Å²	58	91.3 Å²	91.3	48%	0.479	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.6	166.4	0	0	0	0	0	108.3	L194 A195	A185-L194 HydrophobicContact CB-CD1 4.21Å; A185-A195 CarbonylContact C-O 3.59Å; A185-A195 WeakPolarHBondContact CA-O 3.43Å
186	I	41.2	Very low	37.2	Very low	51 Å²	51	82.4 Å²	82.4	26%	0.262	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	110.8	-178.2	-56.7	165.3	0	0	0	107.5	V49 A195	V49-I186 HydrophobicContact CG1-CG2 3.56Å; I186-A195 HydrophobicContact CB-CB 3.78Å; I186-A195 HydrophobicContact CG2-CB 4.41Å; I186-A195 PolarHBondContact N-O 2.65Å; I186-A195 WeakPolarHBondContact O-CA 3.08Å; I186-A195 VanDerWaalsContact O-CB 3.31Å; I186-A195 WeakPolarHBondContact O-CB 3.2Å; I186-A195 PolarHBondContact O-N 2.71Å
187	Q	41.6	Very low	37.8	Very low	153 Å²	153	74.3 Å²	74.3	72%	0.715	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	130.4	169.7	-170.9	174.4	5.1	0	0	109.2	P189	Q187-P189 WeakPolarHBondContact O-CD 3.14Å
188	I	38.2	Very low	38.1	Very low	2 Å²	2	72.1 Å²	72.1	1%	0.01	37%	0.365	C	S	.	.			trans	-85.1	114.5	176.9	-58.2	-173.1	0	0	0	108.2	M45 L46 V56 T190 S191 L193	M45-I188 HydrophobicContact CE-CG2 3.75Å; L46-I188 HydrophobicContact CD2-CD1 3.51Å; V56-I188 HydrophobicContact CG1-CD1 4.43Å; I188-T190 PolarHBondContact O-N 3.43Å; I188-S191 VanDerWaalsContact CB-OG 3.29Å; I188-S191 WeakPolarHBondContact CB-OG 3.47Å; I188-S191 VanDerWaalsContact CG2-OG 3.29Å; I188-S191 WeakPolarHBondContact CG2-OG 3.49Å; I188-S191 PolarHBondContact O-N 3.47Å; I188-S191 PolarHBondContact O-OG 3.28Å; I188-L193 HydrophobicContact CB-CB 3.95Å; I188-L193 HydrophobicContact CD1-CB 3.65Å; I188-L193 HydrophobicContact CD1-CD1 3.8Å; I188-L193 HydrophobicContact CD1-CG 4.34Å; I188-L193 HydrophobicContact CG1-CB 3.92Å; I188-L193 PolarHBondContact N-O 3.45Å
189	P	34.6	Very low	38.4	Very low	117 Å²	117	67.8 Å²	67.8	76%	0.76	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.1	-161	-27.5	34.4	0	0	0	117.3	Q187	Q187-P189 WeakPolarHBondContact O-CD 3.14Å
190	T	38.5	Very low	38.6	Very low	106 Å²	106	62.4 Å²	62.4	65%	0.65	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	12.4	-176.6	62.2	0	0	0	0	113.3	M45 I188	M45-T190 HydrophobicContact CE-CG2 4.02Å; M45-T190 WeakPolarHBondContact CE-OG1 3.35Å; M45-T190 PolarHBondContact SD-OG1 2.8Å; I188-T190 PolarHBondContact O-N 3.43Å
191	S	35.8	Very low	38.7	Very low	27 Å²	27	68.5 Å²	68.5	19%	0.189	34%	0.341	C	S	.	.	S	Bend	trans	-147.6	156.6	-175.2	66.5	0	0	0	0	110.7	I188 L193	I188-S191 VanDerWaalsContact CB-OG 3.29Å; I188-S191 WeakPolarHBondContact CB-OG 3.47Å; I188-S191 VanDerWaalsContact CG2-OG 3.29Å; I188-S191 WeakPolarHBondContact CG2-OG 3.49Å; I188-S191 PolarHBondContact O-N 3.47Å; I188-S191 PolarHBondContact O-OG 3.28Å; S191-L193 PolarHBondContact O-N 2.73Å; S191-L193 WeakPolarHBondContact OG-CB 3.13Å; S191-L193 VanDerWaalsContact OG-CD1 3.27Å; S191-L193 WeakPolarHBondContact OG-CD1 3.04Å; S191-L193 WeakPolarHBondContact OG-CG 3.35Å; S191-L193 PolarHBondContact OG-N 2.73Å
192	R	34.3	Very low	39.2	Very low	247 Å²	247	62.7 Å²	62.7	93%	0.932	32%	0.321	S	S	*	.	S	Bend	trans	-71.4	21.6	169	-61.6	-175.9	179.2	-176.3	-0.5	112.3
193	L	34.6	Very low	39.2	Very low	4 Å²	4	69.9 Å²	69.9	2%	0.021	35%	0.345	C	S	.	.			trans	-85.1	128.9	-177.1	-61.4	176.5	0	0	0	110.3	Q42 A58 S59 I188 S191	Q42-L193 HydrophobicContact CG-CD1 4.41Å; A58-L193 HydrophobicContact CB-CD1 4.12Å; A58-L193 HydrophobicContact CB-CD2 4.05Å; S59-L193 WeakPolarHBondContact O-CD2 3.46Å; I188-L193 HydrophobicContact CB-CB 3.95Å; I188-L193 HydrophobicContact CD1-CB 3.65Å; I188-L193 HydrophobicContact CD1-CD1 3.8Å; I188-L193 HydrophobicContact CD1-CG 4.34Å; I188-L193 HydrophobicContact CG1-CB 3.92Å; I188-L193 PolarHBondContact N-O 3.45Å; S191-L193 PolarHBondContact O-N 2.73Å; S191-L193 WeakPolarHBondContact OG-CB 3.13Å; S191-L193 VanDerWaalsContact OG-CD1 3.27Å; S191-L193 WeakPolarHBondContact OG-CD1 3.04Å; S191-L193 WeakPolarHBondContact OG-CG 3.35Å; S191-L193 PolarHBondContact OG-N 2.73Å
194	L	38.1	Very low	39.4	Very low	73 Å²	73	69.6 Å²	69.6	38%	0.382	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114.3	169.5	-172.2	70.8	0	0	0	108.8	A185 I196	A185-L194 HydrophobicContact CB-CD1 4.21Å; L194-I196 HydrophobicContact CD2-CD1 3.91Å; L194-I196 HydrophobicContact CD2-CG1 4.01Å; L194-I196 HydrophobicContact CG-CG1 4.06Å
195	A	37	Very low	39.3	Very low	0 Å²	0	66 Å²	66	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	129.8	166.6	0	0	0	0	0	108.8	V56 A185 I186	V56-A195 HydrophobicContact CB-CB 4.04Å; V56-A195 HydrophobicContact CG1-CB 3.57Å; V56-A195 HydrophobicContact CG2-CB 3.39Å; A185-A195 CarbonylContact C-O 3.59Å; A185-A195 WeakPolarHBondContact CA-O 3.43Å; I186-A195 HydrophobicContact CB-CB 3.78Å; I186-A195 HydrophobicContact CG2-CB 4.41Å; I186-A195 PolarHBondContact N-O 2.65Å; I186-A195 WeakPolarHBondContact O-CA 3.08Å; I186-A195 VanDerWaalsContact O-CB 3.31Å; I186-A195 WeakPolarHBondContact O-CB 3.2Å; I186-A195 PolarHBondContact O-N 2.71Å
196	I	39.1	Very low	39.4	Very low	17 Å²	17	63.9 Å²	63.9	9%	0.087	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.7	173.5	-59.2	-170.3	0	0	0	108.4	V104 V182 L194 V198	V104-I196 HydrophobicContact CB-CD1 3.98Å; V104-I196 HydrophobicContact CG1-CD1 4.33Å; V104-I196 HydrophobicContact CG2-CB 3.86Å; V104-I196 HydrophobicContact CG2-CD1 3.32Å; V104-I196 HydrophobicContact CG2-CG1 3.6Å; V182-I196 HydrophobicContact CG1-CG2 3.61Å; V182-I196 HydrophobicContact CG2-CG2 4.44Å; L194-I196 HydrophobicContact CD2-CD1 3.91Å; L194-I196 HydrophobicContact CD2-CG1 4.01Å; L194-I196 HydrophobicContact CG-CG1 4.06Å; I196-V198 HydrophobicContact CG2-CG2 3.84Å
197	D	43	Very low	39.4	Very low	20 Å²	20	68.2 Å²	68.2	11%	0.107	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	118	173.8	-174.2	-7.8	0	0	0	109.1	K54 C100 V182 E183 N184	K54-D197 VanDerWaalsContact CD-OD1 3.25Å; K54-D197 WeakPolarHBondContact CD-OD1 3.33Å; K54-D197 WeakPolarHBondContact CE-OD1 2.92Å; K54-D197 WeakPolarHBondContact CE-OD2 3.44Å; K54-D197 IonicContact NZ-OD1 2.72Å; K54-D197 PolarHBondContact NZ-OD1 2.84Å; K54-D197 IonicContact NZ-OD2 2.83Å; K54-D197 PolarHBondContact NZ-OD2 2.95Å; C100-D197 PolarHBondContact SG-OD1 2.74Å; V182-D197 CarbonylContact C-O 3.58Å; V182-D197 WeakPolarHBondContact CA-O 3.07Å; E183-D197 HydrophobicContact CB-CB 4.38Å; E183-D197 PolarHBondContact N-O 3.31Å; N184-D197 HydrophobicContact CB-CB 4.04Å; N184-D197 WeakPolarHBondContact O-CB 3.43Å; N184-D197 PolarHBondContact O-N 3.22Å
198	V	41	Very low	39.3	Very low	1 Å²	1	62.3 Å²	62.3	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	151.4	178.5	175.7	0	0	0	0	109.6	R99 C100 W180 R181 V182 I196 V200	R99-V198 CarbonylContact C-O 3.48Å; C100-V198 WeakPolarHBondContact CA-O 3.46Å; C100-V198 WeakPolarHBondContact CB-O 3.37Å; C100-V198 PolarHBondContact N-O 2.92Å; C100-V198 PolarHBondContact SG-N 2.82Å; C100-V198 PolarHBondContact SG-O 2.57Å; W180-V198 HydrophobicContact CE3-CG1 3.98Å; R181-V198 CarbonylContact O-C 3.55Å; R181-V198 WeakPolarHBondContact O-CA 3.25Å; V182-V198 HydrophobicContact CG2-CG2 4.33Å; I196-V198 HydrophobicContact CG2-CG2 3.84Å; V198-V200 HydrophobicContact CG1-CG2 4.28Å
199	T	40.4	Very low	39.4	Very low	13 Å²	13	62.2 Å²	62.2	8%	0.08	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.8	170.8	-76	0	0	0	0	109.6	R99 R181 E183 K201	R99-T199 HydrophobicContact CB-CG2 4.43Å; R99-T199 WeakPolarHBondContact CD-OG1 3.43Å; R99-T199 HydrophobicContact CG-CG2 3.9Å; R181-T199 PolarHBondContact N-O 3.26Å; R181-T199 PolarHBondContact O-N 3.49Å; E183-T199 WeakPolarHBondContact OE1-CB 3.43Å; E183-T199 PolarHBondContact OE1-OG1 3.36Å; T199-K201 HydrophobicContact CG2-CG 4.49Å
200	V	40.5	Very low	39.7	Very low	10 Å²	10	59.3 Å²	59.3	6%	0.061	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.7	173.8	-175.6	0	0	0	0	107.6	W180 V198 Q202 F205	W180-V200 HydrophobicContact CE3-CG2 4.03Å; W180-V200 HydrophobicContact CZ3-CG2 3.78Å; V198-V200 HydrophobicContact CG1-CG2 4.28Å; V200-Q202 HydrophobicContact CG1-CB 4.1Å; V200-Q202 HydrophobicContact CG1-CG 4.36Å; V200-Q202 PolarHBondContact O-N 3.37Å; V200-F205 HydrophobicContact CB-CD2 4.03Å; V200-F205 HydrophobicContact CB-CE2 4.38Å; V200-F205 HydrophobicContact CG1-CD2 4.43Å; V200-F205 HydrophobicContact CG2-CD2 4.17Å; V200-F205 HydrophobicContact CG2-CE2 4.17Å
201	K	39.8	Very low	39.9	Very low	161 Å²	161	60.3 Å²	60.3	70%	0.7	28%	0.277	S	S	*	.			trans	-94.2	58.8	179	-69.9	-175.5	176	176.8	0	111.1	T199	T199-K201 HydrophobicContact CG2-CG 4.49Å
202	Q	45.8	Very low	40.2	Very low	53 Å²	53	60.9 Å²	60.9	25%	0.248	28%	0.275	C	S	.	.	S	Bend	trans	-149.5	152.5	-175	-65.7	-158.3	-12	0	0	118.2	R176 V200 S204	R176-Q202 PolarHBondContact O-NE2 2.97Å; V200-Q202 HydrophobicContact CG1-CB 4.1Å; V200-Q202 HydrophobicContact CG1-CG 4.36Å; V200-Q202 PolarHBondContact O-N 3.37Å; Q202-S204 PolarHBondContact O-N 2.96Å
203	R	40.2	Very low	40.3	Very low	186 Å²	186	50 Å²	50	70%	0.702	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.7	173.1	-67.7	-176.4	170	180	-9.6	114.2	E95	E95-R203 VanDerWaalsContact CD-NH2 3.28Å; E95-R203 HydrophobicContact CG-CG 4.02Å; E95-R203 IonicContact OE1-CZ 3.34Å; E95-R203 IonicContact OE1-NE 2.97Å; E95-R203 PolarHBondContact OE1-NE 2.79Å; E95-R203 IonicContact OE1-NH1 2.85Å; E95-R203 IonicContact OE1-NH2 3.01Å; E95-R203 PolarHBondContact OE1-NH2 2.81Å; E95-R203 IonicContact OE2-CZ 2.7Å; E95-R203 IonicContact OE2-NE 3.51Å; E95-R203 PolarHBondContact OE2-NE 2.81Å; E95-R203 IonicContact OE2-NH2 2.99Å; E95-R203 PolarHBondContact OE2-NH2 2.68Å
204	S	45.8	Very low	40.5	Very low	70 Å²	70	57.9 Å²	57.9	49%	0.49	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	30.7	-170.7	-49	0	0	0	0	113.8	Q202 G206 F207 A208	Q202-S204 PolarHBondContact O-N 2.96Å; S204-G206 VanDerWaalsContact C-N 3.29Å; S204-G206 PolarHBondContact O-N 3.17Å; S204-F207 PolarHBondContact O-N 3.23Å; S204-F207 VanDerWaalsContact O-N 3.16Å; S204-A208 PolarHBondContact O-N 2.7Å
205	F	39.3	Very low	40.5	Very low	16 Å²	16	59.1 Å²	59.1	7%	0.07	27%	0.269	C	S	.	.	H	α-helix	trans	-50.8	-43.2	-176.3	-179.5	-105.4	0	0	0	114.2	V71 W89 G98 R99 C100 V200 F207 A208 C209	V71-F205 HydrophobicContact CG1-CE1 4.24Å; V71-F205 HydrophobicContact CG2-CE1 4.08Å; V71-F205 HydrophobicContact CG2-CZ 4.28Å; W89-F205 HydrophobicContact CH2-CD1 4.1Å; W89-F205 AromaticContact CH2-CE1 3.93Å; W89-F205 HydrophobicContact CH2-CE1 3.93Å; W89-F205 HydrophobicContact CZ2-CE1 4.47Å; W89-F205 HydrophobicContact CZ3-CD1 4.36Å; G98-F205 WeakPolarHBondContact O-CD2 3.46Å; G98-F205 WeakPolarHBondContact O-CE2 3.47Å; R99-F205 VanDerWaalsContact C-CE2 3.41Å; R99-F205 WeakPolarHBondContact O-CE2 3.23Å; R99-F205 WeakPolarHBondContact O-CZ 3.43Å; C100-F205 VanDerWaalsContact C-CE2 3.43Å; C100-F205 HydrophobicContact CB-CZ 4.38Å; C100-F205 WeakPolarHBondContact O-CE2 3.5Å; C100-F205 WeakPolarHBondContact O-CZ 3.13Å; V200-F205 HydrophobicContact CB-CD2 4.03Å; V200-F205 HydrophobicContact CB-CE2 4.38Å; V200-F205 HydrophobicContact CG1-CD2 4.43Å; V200-F205 HydrophobicContact CG2-CD2 4.17Å; V200-F205 HydrophobicContact CG2-CE2 4.17Å; F205-F207 PolarHBondContact O-N 3.1Å; F205-A208 PolarHBondContact O-N 2.83Å; F205-C209 PolarHBondContact O-N 3.28Å
206	G	38.8	Very low	40.5	Very low	14 Å²	14	61 Å²	61	14%	0.144	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-34.6	-178.5	0	0	0	0	0	114.7	S204 Q210	S204-G206 VanDerWaalsContact C-N 3.29Å; S204-G206 PolarHBondContact O-N 3.17Å; G206-Q210 WeakPolarHBondContact O-CB 3.42Å; G206-Q210 PolarHBondContact O-N 2.73Å
207	F	40.8	Very low	40	Very low	143 Å²	143	62.7 Å²	62.7	63%	0.627	30%	0.297	S	S	*	.	H	α-helix	trans	-73.9	-42.4	178.1	-102.6	-86.5	0	0	0	111.7	T90 S204 F205 C209 Q210 W211	T90-F207 HydrophobicContact CG2-CE2 4.34Å; S204-F207 PolarHBondContact O-N 3.23Å; S204-F207 VanDerWaalsContact O-N 3.16Å; F205-F207 PolarHBondContact O-N 3.1Å; F207-C209 PolarHBondContact O-N 3.09Å; F207-Q210 PolarHBondContact O-N 3.42Å; F207-W211 WeakPolarHBondContact O-CB 2.93Å; F207-W211 PolarHBondContact O-N 3.41Å
208	A	39.7	Very low	39.5	Very low	28 Å²	28	69 Å²	69	23%	0.231	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-43.5	179.4	0	0	0	0	0	112	W180 S204 F205 W212	W180-A208 HydrophobicContact CH2-CB 4.43Å; S204-A208 PolarHBondContact O-N 2.7Å; F205-A208 PolarHBondContact O-N 2.83Å; A208-W212 PolarHBondContact O-N 2.84Å
209	C	40.5	Very low	39.1	Very low	1 Å²	1	73.9 Å²	73.9	1%	0.007	35%	0.346	C	S	.	.	H	α-helix	trans	-70.2	-32.9	178	-71.6	0	0	0	0	112.9	V82 F205 F207 L213	V82-C209 HydrophobicContact CG1-CB 3.57Å; V82-C209 HydrophobicContact CG2-CB 4.36Å; F205-C209 PolarHBondContact O-N 3.28Å; F207-C209 PolarHBondContact O-N 3.09Å; C209-L213 PolarHBondContact O-N 2.97Å
210	Q	40.2	Very low	38.5	Very low	55 Å²	55	79.1 Å²	79.1	26%	0.257	37%	0.368	S	S	.	.	H	α-helix	trans	-74.2	-41.7	177.8	-172.3	-176.9	11.6	0	0	112.7	S86 G206 F207 L213 R214	S86-Q210 PolarHBondContact OG-NE2 2.74Å; S86-Q210 PolarHBondContact OG-OE1 2.61Å; G206-Q210 WeakPolarHBondContact O-CB 3.42Å; G206-Q210 PolarHBondContact O-N 2.73Å; F207-Q210 PolarHBondContact O-N 3.42Å; Q210-L213 PolarHBondContact O-N 3.02Å; Q210-R214 PolarHBondContact O-N 3.39Å
211	W	43	Very low	37.9	Very low	128 Å²	128	84 Å²	84	49%	0.485	40%	0.397	S	S	.	.	H	α-helix	trans	-60.1	-47.2	176.9	176.3	83.8	0	0	0	111.1	F168 F207 L213 R214 E215	F168-W211 AromaticContact CD2-CZ2 3.81Å; F168-W211 HydrophobicContact CD2-CZ2 3.81Å; F168-W211 AromaticContact CD2-NE1 3.97Å; F168-W211 HydrophobicContact CE2-CZ2 4.22Å; F207-W211 WeakPolarHBondContact O-CB 2.93Å; F207-W211 PolarHBondContact O-N 3.41Å; W211-L213 PolarHBondContact O-N 2.88Å; W211-R214 PolarHBondContact O-N 2.78Å; W211-R214 VanDerWaalsContact O-N 3.14Å; W211-E215 HydrophobicContact CD2-CG 4.36Å; W211-E215 HydrophobicContact CZ2-CG 4.06Å; W211-E215 PolarHBondContact O-N 3.01Å
212	W	42	Very low	37.3	Very low	39 Å²	39	84.9 Å²	84.9	15%	0.148	42%	0.416	C	S	.	.	H	α-helix	trans	-62.5	-41.9	179.8	-173	85.5	0	0	0	112.4	L101 V105 A208 R214 V216	L101-W212 HydrophobicContact CD2-CE3 4.17Å; L101-W212 HydrophobicContact CD2-CZ3 3.91Å; V105-W212 HydrophobicContact CB-CH2 4.32Å; V105-W212 HydrophobicContact CB-CZ2 3.94Å; V105-W212 HydrophobicContact CG2-CH2 3.52Å; V105-W212 HydrophobicContact CG2-CZ2 3.66Å; A208-W212 PolarHBondContact O-N 2.84Å; W212-R214 VanDerWaalsContact C-N 3.33Å; W212-R214 PolarHBondContact O-N 2.99Å; W212-V216 HydrophobicContact CD2-CG2 4.2Å; W212-V216 HydrophobicContact CG-CG2 4.32Å; W212-V216 HydrophobicContact CZ2-CG1 4.4Å; W212-V216 HydrophobicContact CZ2-CG2 4.43Å; W212-V216 WeakPolarHBondContact O-CB 3.47Å; W212-V216 WeakPolarHBondContact O-CG2 3.36Å; W212-V216 PolarHBondContact O-N 2.83Å
213	L	36.8	Very low	36.9	Very low	18 Å²	18	86.5 Å²	86.5	9%	0.094	43%	0.425	C	S	.	.	H	α-helix	trans	-62.6	-38.3	174.1	-91.7	173.5	0	0	0	113	V69 V82 C209 Q210 W211 A217	V69-L213 HydrophobicContact CB-CD1 4.15Å; V69-L213 HydrophobicContact CG2-CD1 4.02Å; V69-L213 HydrophobicContact CG2-CD2 3.81Å; V69-L213 HydrophobicContact CG2-CG 4.04Å; V82-L213 HydrophobicContact CB-CD1 3.52Å; V82-L213 HydrophobicContact CG1-CD1 3.5Å; C209-L213 PolarHBondContact O-N 2.97Å; Q210-L213 PolarHBondContact O-N 3.02Å; W211-L213 PolarHBondContact O-N 2.88Å; L213-A217 WeakPolarHBondContact O-CB 3.22Å; L213-A217 PolarHBondContact O-N 2.72Å
214	R	37.6	Very low	36.7	Very low	169 Å²	169	81.2 Å²	81.2	64%	0.638	41%	0.41	S	S	*	.	H	α-helix	trans	-67.1	-49.2	178.9	-110.7	-178.2	163.9	-178.4	-6.9	112	Q210 W211 W212 V216 F218	Q210-R214 PolarHBondContact O-N 3.39Å; W211-R214 PolarHBondContact O-N 2.78Å; W211-R214 VanDerWaalsContact O-N 3.14Å; W212-R214 VanDerWaalsContact C-N 3.33Å; W212-R214 PolarHBondContact O-N 2.99Å; R214-V216 VanDerWaalsContact C-N 3.35Å; R214-V216 PolarHBondContact O-N 2.62Å; R214-F218 WeakPolarHBondContact O-CB 3.35Å; R214-F218 WeakPolarHBondContact O-CD2 3.48Å; R214-F218 PolarHBondContact O-N 2.73Å
215	E	39.7	Very low	36.2	Very low	100 Å²	100	81.8 Å²	81.8	47%	0.467	41%	0.406	S	S	.	.	H	α-helix	trans	-71.6	-30.7	-176.7	-71.2	-59.6	137.3	0	0	112.7	W211	W211-E215 HydrophobicContact CD2-CG 4.36Å; W211-E215 HydrophobicContact CZ2-CG 4.06Å; W211-E215 PolarHBondContact O-N 3.01Å
216	V	35.7	Very low	36	Very low	40 Å²	40	85.7 Å²	85.7	24%	0.242	43%	0.426	C	S	.	.	H	α-helix	trans	-95	-30.8	-174.2	-178.6	0	0	0	0	113	V105 W212 R214	V105-V216 HydrophobicContact CB-CG1 3.94Å; V105-V216 HydrophobicContact CG1-CG1 3.53Å; V105-V216 HydrophobicContact CG2-CG1 3.85Å; W212-V216 HydrophobicContact CD2-CG2 4.2Å; W212-V216 HydrophobicContact CG-CG2 4.32Å; W212-V216 HydrophobicContact CZ2-CG1 4.4Å; W212-V216 HydrophobicContact CZ2-CG2 4.43Å; W212-V216 WeakPolarHBondContact O-CB 3.47Å; W212-V216 WeakPolarHBondContact O-CG2 3.36Å; W212-V216 PolarHBondContact O-N 2.83Å; R214-V216 VanDerWaalsContact C-N 3.35Å; R214-V216 PolarHBondContact O-N 2.62Å
217	A	29.6	Very low	35.8	Very low	52 Å²	52	90.2 Å²	90.2	43%	0.43	44%	0.443	S	S	.	.	H	α-helix	trans	-78.8	-26.4	176.3	0	0	0	0	0	113.1	L213	L213-A217 WeakPolarHBondContact O-CB 3.22Å; L213-A217 PolarHBondContact O-N 2.72Å
218	F	33	Very low	35.5	Very low	152 Å²	152	86.7 Å²	86.7	67%	0.667	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-78.2	-21.7	178.7	-91.2	-92.8	0	0	0	114	R214 K220	R214-F218 WeakPolarHBondContact O-CB 3.35Å; R214-F218 WeakPolarHBondContact O-CD2 3.48Å; R214-F218 PolarHBondContact O-N 2.73Å; F218-K220 PolarHBondContact O-N 2.88Å
219	Q	30.9	Very low	35.2	Very low	104 Å²	104	90.9 Å²	90.9	49%	0.486	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-77.6	3.8	175	-69.2	-175.5	10.8	0	0	114.1	R125	R125-Q219 VanDerWaalsContact NH1-NE2 3.19Å
220	K	29.1	Very low	34.8	Very low	123 Å²	123	97.8 Å²	97.8	54%	0.535	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-118.9	13.1	175.4	-74.6	-166.4	173.3	-173.3	0	114.1	F218	F218-K220 PolarHBondContact O-N 2.88Å
221	V	27.5	Very low	34.3	Very low	111 Å²	111	101.3 Å²	101.3	67%	0.673	50%	0.497	S	S	*	.			trans	-107.8	11.5	173.3	-175.2	0	0	0	0	111.8
222	T	26.9	Very low	33.5	Very low	180 Å²	180	98.9 Å²	98.9	100%	1.104	50%	0.499	S	S	*	.			trans	-140.3	0	165	49.2	0	0	0	0	107.7

Retrieved 222 of 222 residues in 248.8 ms (Link to these results)

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