A0A077Z6V9_TRITR Loading...

40S ribosomal protein S27A, ubiquitin fusion prot ein

AlphaFold DB , UniProt , Accession A0A077Z6V9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 282 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	18.5	Very low	26.1	Very low	185 Å²	185	99.1 Å²	99.1	91%	0.911	53%	0.533	S	S	*	.				0	122.9	0	-169.5	174.8	178.5	0	0	106.6	I3 E6	M1-I3 PolarHBondContact O-N 3.26Å; M1-I3 VanDerWaalsContact O-N 3.09Å; M1-E6 HydrophobicContact CE-CB 3.98Å; M1-E6 WeakPolarHBondContact CE-OE2 3.48Å
2	D	22.6	Very low	26.9	Very low	99 Å²	99	91.6 Å²	91.6	53%	0.529	49%	0.494	S	S	.	.			trans	-70	99.8	178.2	-176.5	-5.5	0	0	0	108.5	S4 K5	D2-S4 VanDerWaalsContact CG-OG 3.23Å; D2-S4 PolarHBondContact O-N 3.13Å; D2-S4 VanDerWaalsContact O-N 3.07Å; D2-S4 WeakPolarHBondContact OD1-CB 3.45Å; D2-S4 PolarHBondContact OD1-N 3.44Å; D2-S4 PolarHBondContact OD1-OG 3.3Å; D2-S4 PolarHBondContact OD2-OG 3.4Å; D2-K5 PolarHBondContact O-N 2.88Å
3	I	23.8	Very low	27.7	Very low	91 Å²	91	86.3 Å²	86.3	47%	0.467	47%	0.466	S	S	.	.	H	α-helix	trans	-63.8	-10.3	-176.6	31	167.2	0	0	0	112.9	M1 K5 S7 P32	M1-I3 PolarHBondContact O-N 3.26Å; M1-I3 VanDerWaalsContact O-N 3.09Å; I3-K5 VanDerWaalsContact C-N 3.34Å; I3-K5 PolarHBondContact O-N 2.85Å; I3-S7 WeakPolarHBondContact O-CB 3.2Å; I3-S7 PolarHBondContact O-N 3.18Å; I3-P32 HydrophobicContact CD1-CB 4.4Å; I3-P32 HydrophobicContact CD1-CG 4Å; I3-P32 HydrophobicContact CG1-CG 4.29Å
4	S	27.4	Very low	28.6	Very low	83 Å²	83	85.5 Å²	85.5	58%	0.58	46%	0.461	S	S	*	.	H	α-helix	trans	-70.1	-25.8	179.1	70	0	0	0	0	114.2	D2	D2-S4 VanDerWaalsContact CG-OG 3.23Å; D2-S4 PolarHBondContact O-N 3.13Å; D2-S4 VanDerWaalsContact O-N 3.07Å; D2-S4 WeakPolarHBondContact OD1-CB 3.45Å; D2-S4 PolarHBondContact OD1-N 3.44Å; D2-S4 PolarHBondContact OD1-OG 3.3Å; D2-S4 PolarHBondContact OD2-OG 3.4Å
5	K	24.8	Very low	29.2	Very low	179 Å²	179	85.5 Å²	85.5	78%	0.778	46%	0.457	S	S	*	.	H	α-helix	trans	-104.4	-27.3	-170.8	-72.3	-173.2	178.9	177.7	0	116	D2 I3	D2-K5 PolarHBondContact O-N 2.88Å; I3-K5 VanDerWaalsContact C-N 3.34Å; I3-K5 PolarHBondContact O-N 2.85Å
6	E	23.1	Very low	29.8	Very low	154 Å²	154	83.1 Å²	83.1	72%	0.72	44%	0.443	S	S	*	.	H	α-helix	trans	-121	5.3	-177.7	-69.8	-167.7	176.6	0	0	113.9	M1 P8	M1-E6 HydrophobicContact CE-CB 3.98Å; M1-E6 WeakPolarHBondContact CE-OE2 3.48Å; E6-P8 WeakPolarHBondContact O-CD 3.3Å
7	S	28	Very low	30.7	Very low	22 Å²	22	81.5 Å²	81.5	15%	0.154	43%	0.43	C	S	.	.			trans	-71.6	129.3	179.4	-179.7	0	0	0	0	111.4	I3 F9 S10	I3-S7 WeakPolarHBondContact O-CB 3.2Å; I3-S7 PolarHBondContact O-N 3.18Å; S7-F9 PolarHBondContact O-N 3.04Å; S7-F9 WeakPolarHBondContact OG-CB 3.44Å; S7-F9 WeakPolarHBondContact OG-CD2 3.5Å; S7-F9 VanDerWaalsContact OG-CG 3.23Å; S7-F9 WeakPolarHBondContact OG-CG 3.49Å; S7-F9 PolarHBondContact OG-N 2.79Å; S7-F9 VanDerWaalsContact OG-N 3.11Å; S7-S10 PolarHBondContact O-N 3.25Å; S7-S10 VanDerWaalsContact O-N 3.15Å
8	P	25.8	Very low	31.3	Very low	95 Å²	95	84 Å²	84	62%	0.617	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-8.2	169.1	25.3	-33.4	0	0	0	112.9	E6 P11 Q93	E6-P8 WeakPolarHBondContact O-CD 3.3Å; P8-P11 WeakPolarHBondContact O-CD 3.36Å; P8-Q93 PolarHBondContact O-NE2 2.85Å
9	F	29.4	Very low	31.6	Very low	50 Å²	50	86.3 Å²	86.3	22%	0.219	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-10.2	177.8	-54.1	-47.2	0	0	0	114.7	S7 I13 A86 I89	S7-F9 PolarHBondContact O-N 3.04Å; S7-F9 WeakPolarHBondContact OG-CB 3.44Å; S7-F9 WeakPolarHBondContact OG-CD2 3.5Å; S7-F9 VanDerWaalsContact OG-CG 3.23Å; S7-F9 WeakPolarHBondContact OG-CG 3.49Å; S7-F9 PolarHBondContact OG-N 2.79Å; S7-F9 VanDerWaalsContact OG-N 3.11Å; F9-I13 HydrophobicContact CB-CD1 4.02Å; F9-I13 PolarHBondContact O-N 3.12Å; F9-A86 HydrophobicContact CE1-CB 4.27Å; F9-A86 WeakPolarHBondContact CE1-O 3.34Å; F9-A86 HydrophobicContact CE2-CB 3.59Å; F9-A86 HydrophobicContact CZ-CB 3.41Å; F9-A86 VanDerWaalsContact CZ-CB 3.41Å; F9-A86 WeakPolarHBondContact CZ-O 3.45Å; F9-I89 HydrophobicContact CB-CB 4.17Å; F9-I89 HydrophobicContact CB-CD1 4.12Å; F9-I89 HydrophobicContact CB-CG2 3.62Å; F9-I89 HydrophobicContact CD1-CB 3.72Å; F9-I89 HydrophobicContact CD1-CG2 3.75Å; F9-I89 HydrophobicContact CE1-CB 4.49Å; F9-I89 HydrophobicContact CG-CB 4.07Å; F9-I89 HydrophobicContact CG-CD1 4.27Å; F9-I89 HydrophobicContact CG-CG2 3.99Å
10	S	28.5	Very low	31.9	Very low	53 Å²	53	82.8 Å²	82.8	37%	0.371	43%	0.433	S	S	.	.	H	α-helix	trans	-50	-46	-178	158.4	0	0	0	0	114.9	S7 N14	S7-S10 PolarHBondContact O-N 3.25Å; S7-S10 VanDerWaalsContact O-N 3.15Å; S10-N14 WeakPolarHBondContact O-CB 3.41Å; S10-N14 PolarHBondContact O-N 2.99Å; S10-N14 PolarHBondContact O-ND2 3.26Å; S10-N14 PolarHBondContact OG-ND2 2.66Å
11	P	35.5	Very low	32.4	Very low	79 Å²	79	82 Å²	82	51%	0.513	43%	0.433	S	S	.	.	H	α-helix	trans	-67.8	-41.8	-174.2	-22.7	34.2	0	0	0	114.8	P8 N14 Q15	P8-P11 WeakPolarHBondContact O-CD 3.36Å; P11-N14 PolarHBondContact O-N 3.13Å; P11-Q15 PolarHBondContact O-N 3.06Å
12	A	35.8	Very low	33.5	Very low	9 Å²	9	78 Å²	78	7%	0.074	41%	0.413	C	S	.	.	H	α-helix	trans	-74.8	-39.6	-175.1	0	0	0	0	0	112.1	N14 Q15 L16 I89 I92 Q93	A12-N14 VanDerWaalsContact C-N 3.27Å; A12-N14 PolarHBondContact O-N 3.11Å; A12-Q15 PolarHBondContact O-N 3.4Å; A12-L16 WeakPolarHBondContact O-CB 3.44Å; A12-L16 PolarHBondContact O-N 3.14Å; A12-I89 HydrophobicContact CB-CG2 3.86Å; A12-I92 HydrophobicContact CB-CG2 4.1Å; A12-Q93 HydrophobicContact CB-CG 3.51Å
13	I	37.1	Very low	34.3	Very low	23 Å²	23	73.8 Å²	73.8	12%	0.118	39%	0.39	C	S	.	.	H	α-helix	trans	-54.6	-47.1	167	-79.6	167.4	0	0	0	110.4	F9 Q15 L16 R17 W30 I89	F9-I13 HydrophobicContact CB-CD1 4.02Å; F9-I13 PolarHBondContact O-N 3.12Å; I13-Q15 VanDerWaalsContact C-N 3.34Å; I13-Q15 PolarHBondContact O-N 3.12Å; I13-L16 PolarHBondContact O-N 3.48Å; I13-R17 HydrophobicContact CG2-CG 4.45Å; I13-R17 WeakPolarHBondContact O-CB 3.32Å; I13-R17 WeakPolarHBondContact O-CG 3.5Å; I13-R17 PolarHBondContact O-N 3.18Å; I13-W30 HydrophobicContact CB-CH2 4.08Å; I13-W30 HydrophobicContact CB-CZ3 3.85Å; I13-W30 HydrophobicContact CD1-CE3 4.05Å; I13-W30 HydrophobicContact CD1-CH2 4.1Å; I13-W30 HydrophobicContact CD1-CZ3 3.34Å; I13-W30 HydrophobicContact CG1-CE3 4.48Å; I13-W30 HydrophobicContact CG1-CH2 3.62Å; I13-W30 HydrophobicContact CG1-CZ3 3.37Å; I13-W30 HydrophobicContact CG2-CE3 4.43Å; I13-W30 HydrophobicContact CG2-CH2 3.63Å; I13-W30 HydrophobicContact CG2-CZ3 3.26Å; I13-I89 HydrophobicContact CD1-CD1 3.7Å; I13-I89 HydrophobicContact CG1-CD1 4.07Å; I13-I89 HydrophobicContact CG1-CG2 4.36Å
14	N	40.5	Very low	35.3	Very low	75 Å²	75	76.3 Å²	76.3	40%	0.401	39%	0.394	S	S	.	.	H	α-helix	trans	-67.2	-35	-178.8	-73	-25.3	0	0	0	112.1	S10 P11 A12 R17 L18	S10-N14 WeakPolarHBondContact O-CB 3.41Å; S10-N14 PolarHBondContact O-N 2.99Å; S10-N14 PolarHBondContact O-ND2 3.26Å; S10-N14 PolarHBondContact OG-ND2 2.66Å; P11-N14 PolarHBondContact O-N 3.13Å; A12-N14 VanDerWaalsContact C-N 3.27Å; A12-N14 PolarHBondContact O-N 3.11Å; N14-R17 PolarHBondContact OD1-NH1 2.82Å; N14-L18 WeakPolarHBondContact O-CB 3.38Å; N14-L18 PolarHBondContact O-N 3.21Å
15	Q	37.5	Very low	36	Very low	86 Å²	86	75.4 Å²	75.4	40%	0.402	39%	0.387	S	S	.	.	H	α-helix	trans	-68.8	-42.4	171.4	-75.8	-155.8	-11.2	0	0	112.5	P11 A12 I13 R17 L18 H19	P11-Q15 PolarHBondContact O-N 3.06Å; A12-Q15 PolarHBondContact O-N 3.4Å; I13-Q15 VanDerWaalsContact C-N 3.34Å; I13-Q15 PolarHBondContact O-N 3.12Å; Q15-R17 VanDerWaalsContact C-N 3.29Å; Q15-R17 PolarHBondContact O-N 3.22Å; Q15-L18 WeakPolarHBondContact O-CA 3.39Å; Q15-L18 VanDerWaalsContact O-CB 3.25Å; Q15-L18 WeakPolarHBondContact O-CB 3.24Å; Q15-L18 PolarHBondContact O-N 2.68Å; Q15-H19 PolarHBondContact O-CD2 3.05Å; Q15-H19 PolarHBondContact O-N 2.9Å
16	L	38	Very low	36.7	Very low	46 Å²	46	67.6 Å²	67.6	24%	0.241	35%	0.354	C	S	.	.	H	α-helix	trans	-61.3	-41	174.7	-153.3	98	0	0	0	110.7	A12 I13 L18 H19 C20 V23 I92	A12-L16 WeakPolarHBondContact O-CB 3.44Å; A12-L16 PolarHBondContact O-N 3.14Å; I13-L16 PolarHBondContact O-N 3.48Å; L16-L18 VanDerWaalsContact C-N 3.26Å; L16-L18 PolarHBondContact O-N 3.5Å; L16-H19 PolarHBondContact O-N 3.03Å; L16-C20 CarbonylContact O-C 3.56Å; L16-C20 WeakPolarHBondContact O-CA 3.24Å; L16-C20 WeakPolarHBondContact O-CB 3.43Å; L16-C20 PolarHBondContact O-N 2.93Å; L16-V23 HydrophobicContact CD2-CB 4.45Å; L16-V23 HydrophobicContact CD2-CG1 4.01Å; L16-V23 HydrophobicContact CD2-CG2 4.04Å; L16-I92 HydrophobicContact CD1-CD1 4.44Å
17	R	45.1	Very low	37.6	Very low	56 Å²	56	63.2 Å²	63.2	21%	0.211	34%	0.336	C	S	.	.	H	α-helix	trans	-64.6	-25.3	171.5	-73.4	171.7	177.3	154.7	0.1	113.7	I13 N14 Q15 R24 D27	I13-R17 HydrophobicContact CG2-CG 4.45Å; I13-R17 WeakPolarHBondContact O-CB 3.32Å; I13-R17 WeakPolarHBondContact O-CG 3.5Å; I13-R17 PolarHBondContact O-N 3.18Å; N14-R17 PolarHBondContact OD1-NH1 2.82Å; Q15-R17 VanDerWaalsContact C-N 3.29Å; Q15-R17 PolarHBondContact O-N 3.22Å; R17-R24 HydrophobicContact CB-CG 4.34Å; R17-R24 HydrophobicContact CG-CG 4.09Å; R17-D27 IonicContact CZ-OD1 3.72Å; R17-D27 VanDerWaalsContact CZ-OD1 3.32Å; R17-D27 IonicContact NE-OD1 3.8Å; R17-D27 PolarHBondContact NE-OD1 2.84Å; R17-D27 VanDerWaalsContact NE-OD1 3.11Å; R17-D27 IonicContact NE-OD2 2.74Å; R17-D27 IonicContact NH2-OD1 2.82Å; R17-D27 PolarHBondContact NH2-OD1 3.19Å; R17-D27 IonicContact NH2-OD2 3.15Å
18	L	42.3	Very low	38.1	Very low	127 Å²	127	65 Å²	65	67%	0.665	36%	0.357	S	S	*	.	H	α-helix	trans	-76.8	-43.6	176.5	-168.4	80.3	0	0	0	110.5	N14 Q15 L16	N14-L18 WeakPolarHBondContact O-CB 3.38Å; N14-L18 PolarHBondContact O-N 3.21Å; Q15-L18 WeakPolarHBondContact O-CA 3.39Å; Q15-L18 VanDerWaalsContact O-CB 3.25Å; Q15-L18 WeakPolarHBondContact O-CB 3.24Å; Q15-L18 PolarHBondContact O-N 2.68Å; L16-L18 VanDerWaalsContact C-N 3.26Å; L16-L18 PolarHBondContact O-N 3.5Å
19	H	36.8	Very low	38.7	Very low	128 Å²	128	63.5 Å²	63.5	59%	0.593	34%	0.34	S	S	*	.	H	α-helix	trans	-87.2	-21.4	-177.8	-66.6	-67.9	0	0	0	114.2	Q15 L16 K64	Q15-H19 PolarHBondContact O-CD2 3.05Å; Q15-H19 PolarHBondContact O-N 2.9Å; L16-H19 PolarHBondContact O-N 3.03Å; H19-K64 PolarHBondContact O-NZ 2.94Å
20	C	36.6	Very low	38.8	Very low	15 Å²	15	64.1 Å²	64.1	10%	0.101	34%	0.341	C	S	.	.			trans	-136.4	76.8	179.2	-56.4	0	0	0	0	109	L16 E22 V23 K64	L16-C20 CarbonylContact O-C 3.56Å; L16-C20 WeakPolarHBondContact O-CA 3.24Å; L16-C20 WeakPolarHBondContact O-CB 3.43Å; L16-C20 PolarHBondContact O-N 2.93Å; C20-E22 WeakPolarHBondContact CA-OE2 3.24Å; C20-E22 PolarHBondContact O-N 3.22Å; C20-E22 VanDerWaalsContact O-N 3.08Å; C20-V23 HydrophobicContact CB-CG2 3.71Å; C20-V23 WeakPolarHBondContact O-CB 3.33Å; C20-V23 PolarHBondContact O-N 2.87Å; C20-K64 WeakPolarHBondContact SG-CD 3.42Å; C20-K64 PolarHBondContact SG-NZ 3.28Å
21	P	43.3	Very low	38.8	Very low	67 Å²	67	67.3 Å²	67.3	44%	0.435	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-57.5	-23.1	179.2	22.5	-32	0	0	0	112.9	V23 R24	P21-V23 PolarHBondContact O-N 3.45Å; P21-R24 VanDerWaalsContact O-CB 3.25Å; P21-R24 WeakPolarHBondContact O-CB 3.31Å; P21-R24 VanDerWaalsContact O-CG 3.3Å; P21-R24 WeakPolarHBondContact O-CG 3.48Å; P21-R24 PolarHBondContact O-N 3.05Å; P21-R24 VanDerWaalsContact O-N 3.08Å
22	E	41.4	Very low	38.4	Very low	102 Å²	102	67.7 Å²	67.7	48%	0.477	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-61.4	-27.9	175.3	-56.7	78.5	-170.2	0	0	112.4	C20 R24 S25	C20-E22 WeakPolarHBondContact CA-OE2 3.24Å; C20-E22 PolarHBondContact O-N 3.22Å; C20-E22 VanDerWaalsContact O-N 3.08Å; E22-R24 PolarHBondContact O-N 3.02Å; E22-S25 WeakPolarHBondContact O-CB 3.13Å; E22-S25 PolarHBondContact O-N 3.03Å; E22-S25 VanDerWaalsContact O-N 3.12Å; E22-S25 PolarHBondContact O-OG 3.45Å
23	V	39.8	Very low	38.2	Very low	10 Å²	10	72.3 Å²	72.3	6%	0.061	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-66.5	-19.5	176.5	177.1	0	0	0	0	111.8	L16 C20 P21 S25 L26 W30	L16-V23 HydrophobicContact CD2-CB 4.45Å; L16-V23 HydrophobicContact CD2-CG1 4.01Å; L16-V23 HydrophobicContact CD2-CG2 4.04Å; C20-V23 HydrophobicContact CB-CG2 3.71Å; C20-V23 WeakPolarHBondContact O-CB 3.33Å; C20-V23 PolarHBondContact O-N 2.87Å; P21-V23 PolarHBondContact O-N 3.45Å; V23-S25 PolarHBondContact O-N 2.84Å; V23-L26 HydrophobicContact CG1-CD1 4.18Å; V23-L26 WeakPolarHBondContact O-CA 3.39Å; V23-L26 VanDerWaalsContact O-CB 3.26Å; V23-L26 WeakPolarHBondContact O-CB 3.2Å; V23-L26 PolarHBondContact O-N 3.35Å; V23-W30 HydrophobicContact CG1-CH2 4.45Å; V23-W30 HydrophobicContact CG1-CZ2 3.81Å
24	R	44.7	Very low	37.7	Very low	144 Å²	144	77.9 Å²	77.9	54%	0.543	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-61.2	-24.7	173.3	-63.1	179	-175.2	-166.6	0.4	112.6	R17 P21 E22 L26 D27	R17-R24 HydrophobicContact CB-CG 4.34Å; R17-R24 HydrophobicContact CG-CG 4.09Å; P21-R24 VanDerWaalsContact O-CB 3.25Å; P21-R24 WeakPolarHBondContact O-CB 3.31Å; P21-R24 VanDerWaalsContact O-CG 3.3Å; P21-R24 WeakPolarHBondContact O-CG 3.48Å; P21-R24 PolarHBondContact O-N 3.05Å; P21-R24 VanDerWaalsContact O-N 3.08Å; E22-R24 PolarHBondContact O-N 3.02Å; R24-L26 PolarHBondContact O-N 2.76Å; R24-D27 WeakPolarHBondContact O-CB 3.48Å; R24-D27 PolarHBondContact O-N 2.62Å; R24-D27 VanDerWaalsContact O-N 3.1Å
25	S	42.6	Very low	37.3	Very low	63 Å²	63	79.4 Å²	79.4	44%	0.441	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-61	-23.1	171.4	66.3	0	0	0	0	112.6	E22 V23	E22-S25 WeakPolarHBondContact O-CB 3.13Å; E22-S25 PolarHBondContact O-N 3.03Å; E22-S25 VanDerWaalsContact O-N 3.12Å; E22-S25 PolarHBondContact O-OG 3.45Å; V23-S25 PolarHBondContact O-N 2.84Å
26	L	39.3	Very low	36.9	Very low	15 Å²	15	79.5 Å²	79.5	8%	0.079	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-81.3	-12	177.6	-56.1	-177	0	0	0	113.3	V23 R24 G28 Y29 W30 T54 A57	V23-L26 HydrophobicContact CG1-CD1 4.18Å; V23-L26 WeakPolarHBondContact O-CA 3.39Å; V23-L26 VanDerWaalsContact O-CB 3.26Å; V23-L26 WeakPolarHBondContact O-CB 3.2Å; V23-L26 PolarHBondContact O-N 3.35Å; R24-L26 PolarHBondContact O-N 2.76Å; L26-G28 PolarHBondContact O-N 3.2Å; L26-Y29 HydrophobicContact CD2-CD2 4.33Å; L26-Y29 WeakPolarHBondContact O-CA 3.49Å; L26-Y29 WeakPolarHBondContact O-CB 3.41Å; L26-Y29 PolarHBondContact O-N 3.2Å; L26-W30 VanDerWaalsContact CB-NE1 3.28Å; L26-W30 PolarHBondContact O-N 3.47Å; L26-W30 PolarHBondContact O-NE1 2.87Å; L26-T54 HydrophobicContact CD2-CG2 3.9Å; L26-A57 HydrophobicContact CD1-CB 4.07Å; L26-A57 HydrophobicContact CD2-CB 3.95Å; L26-A57 HydrophobicContact CG-CB 4.08Å
27	D	40.6	Very low	36.5	Very low	63 Å²	63	81.7 Å²	81.7	34%	0.337	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-56.2	-31	-174	-74.4	-22.3	0	0	0	112.6	R17 R24 Y29 W30	R17-D27 IonicContact CZ-OD1 3.72Å; R17-D27 VanDerWaalsContact CZ-OD1 3.32Å; R17-D27 IonicContact NE-OD1 3.8Å; R17-D27 PolarHBondContact NE-OD1 2.84Å; R17-D27 VanDerWaalsContact NE-OD1 3.11Å; R17-D27 IonicContact NE-OD2 2.74Å; R17-D27 IonicContact NH2-OD1 2.82Å; R17-D27 PolarHBondContact NH2-OD1 3.19Å; R17-D27 IonicContact NH2-OD2 3.15Å; R24-D27 WeakPolarHBondContact O-CB 3.48Å; R24-D27 PolarHBondContact O-N 2.62Å; R24-D27 VanDerWaalsContact O-N 3.1Å; D27-Y29 VanDerWaalsContact C-N 3.3Å; D27-Y29 PolarHBondContact O-N 2.81Å; D27-W30 PolarHBondContact O-N 2.78Å
28	G	39.1	Very low	35.8	Very low	59 Å²	59	80.1 Å²	80.1	61%	0.608	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-69	-22.2	175.3	0	0	0	0	0	114.9	L26	L26-G28 PolarHBondContact O-N 3.2Å
29	Y	37.9	Very low	35.2	Very low	64 Å²	64	77 Å²	77	25%	0.251	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-94.9	-7.6	179.5	-60.9	-79	0	0	0	113.2	L26 D27 L31 S50	L26-Y29 HydrophobicContact CD2-CD2 4.33Å; L26-Y29 WeakPolarHBondContact O-CA 3.49Å; L26-Y29 WeakPolarHBondContact O-CB 3.41Å; L26-Y29 PolarHBondContact O-N 3.2Å; D27-Y29 VanDerWaalsContact C-N 3.3Å; D27-Y29 PolarHBondContact O-N 2.81Å; Y29-L31 VanDerWaalsContact C-N 3.3Å; Y29-S50 WeakPolarHBondContact OH-CB 3.13Å
30	W	31.4	Very low	34.8	Very low	62 Å²	62	77.3 Å²	77.3	24%	0.235	46%	0.464	C	S	.	.			trans	-86.7	-6.5	-178.3	-67.7	20.4	0	0	0	113.1	I13 V23 L26 D27	I13-W30 HydrophobicContact CB-CH2 4.08Å; I13-W30 HydrophobicContact CB-CZ3 3.85Å; I13-W30 HydrophobicContact CD1-CE3 4.05Å; I13-W30 HydrophobicContact CD1-CH2 4.1Å; I13-W30 HydrophobicContact CD1-CZ3 3.34Å; I13-W30 HydrophobicContact CG1-CE3 4.48Å; I13-W30 HydrophobicContact CG1-CH2 3.62Å; I13-W30 HydrophobicContact CG1-CZ3 3.37Å; I13-W30 HydrophobicContact CG2-CE3 4.43Å; I13-W30 HydrophobicContact CG2-CH2 3.63Å; I13-W30 HydrophobicContact CG2-CZ3 3.26Å; V23-W30 HydrophobicContact CG1-CH2 4.45Å; V23-W30 HydrophobicContact CG1-CZ2 3.81Å; L26-W30 VanDerWaalsContact CB-NE1 3.28Å; L26-W30 PolarHBondContact O-N 3.47Å; L26-W30 PolarHBondContact O-NE1 2.87Å; D27-W30 PolarHBondContact O-N 2.78Å
31	L	28.7	Very low	34.5	Very low	120 Å²	120	81.5 Å²	81.5	63%	0.628	49%	0.489	S	S	*	.	S	Bend	trans	-59.1	129.1	163	-67	173.1	0	0	0	106.8	Y29 T33	Y29-L31 VanDerWaalsContact C-N 3.3Å; L31-T33 PolarHBondContact O-N 2.92Å
32	P	28.2	Very low	33.8	Very low	87 Å²	87	86.3 Å²	86.3	57%	0.565	50%	0.499	S	S	*	.			trans	-59.2	107.9	175.4	22.5	-24.5	0	0	0	106.4	I3 D34	I3-P32 HydrophobicContact CD1-CB 4.4Å; I3-P32 HydrophobicContact CD1-CG 4Å; I3-P32 HydrophobicContact CG1-CG 4.29Å; P32-D34 PolarHBondContact O-N 2.86Å
33	T	31.7	Very low	33.4	Very low	107 Å²	107	83.1 Å²	83.1	66%	0.656	49%	0.485	S	S	*	.			trans	-62.8	107.3	167.6	40.8	0	0	0	0	105.1	L31 A35	L31-T33 PolarHBondContact O-N 2.92Å; T33-A35 PolarHBondContact O-N 2.72Å
34	D	26.8	Very low	32.9	Very low	139 Å²	139	88.2 Å²	88.2	74%	0.743	52%	0.516	S	S	*	.			trans	-45.6	122.7	166.4	-88.6	-34.1	0	0	0	106.8	P32 S36	P32-D34 PolarHBondContact O-N 2.86Å; D34-S36 PolarHBondContact O-N 3.04Å; D34-S36 PolarHBondContact O-OG 3.24Å
35	A	31.4	Very low	32.2	Very low	108 Å²	108	85.1 Å²	85.1	89%	0.893	52%	0.521	S	S	*	.	S	Bend	trans	-60.5	7.8	-173.5	0	0	0	0	0	114	T33 A37	T33-A35 PolarHBondContact O-N 2.72Å; A35-A37 PolarHBondContact O-N 2.91Å
36	S	29.6	Very low	32	Very low	87 Å²	87	84.5 Å²	84.5	61%	0.608	51%	0.513	S	S	*	.	S	Bend	trans	-64.1	90.2	161.5	61	0	0	0	0	108.8	D34 A38	D34-S36 PolarHBondContact O-N 3.04Å; D34-S36 PolarHBondContact O-OG 3.24Å; S36-A38 PolarHBondContact O-N 3.37Å
37	A	28.9	Very low	32.1	Very low	92 Å²	92	87.9 Å²	87.9	76%	0.76	53%	0.531	S	S	*	.			trans	-3.2	100	159.4	0	0	0	0	0	112.6	A35 S39	A35-A37 PolarHBondContact O-N 2.91Å; A37-S39 PolarHBondContact O-N 2.98Å; A37-S39 VanDerWaalsContact O-N 3.11Å
38	A	30.8	Very low	32	Very low	23 Å²	23	88.6 Å²	88.6	19%	0.19	54%	0.541	C	S	.	.			trans	-50.4	124.3	166.5	0	0	0	0	0	106.8	S36 R42 Q128	S36-A38 PolarHBondContact O-N 3.37Å; A38-R42 HydrophobicContact CB-CB 4.15Å; A38-Q128 VanDerWaalsContact O-CD 3.28Å; A38-Q128 PolarHBondContact O-NE2 2.93Å; A38-Q128 PolarHBondContact O-OE1 3.45Å; A38-Q128 VanDerWaalsContact O-OE1 3.12Å
39	S	29.7	Very low	32.1	Very low	63 Å²	63	91 Å²	91	44%	0.441	54%	0.536	S	S	.	.			trans	-66.3	155.4	178.9	69.8	0	0	0	0	108.8	A37 T41 R42	A37-S39 PolarHBondContact O-N 2.98Å; A37-S39 VanDerWaalsContact O-N 3.11Å; S39-T41 PolarHBondContact O-N 2.87Å; S39-T41 WeakPolarHBondContact OG-CB 3.25Å; S39-T41 PolarHBondContact OG-OG1 3.5Å; S39-R42 WeakPolarHBondContact O-CB 3.44Å; S39-R42 PolarHBondContact O-N 2.99Å
40	L	29.1	Very low	32.3	Very low	134 Å²	134	90 Å²	90	70%	0.702	54%	0.538	S	S	*	.	H	α-helix	trans	-46.2	-29.5	174.8	-133.6	106.4	0	0	0	113.1	I43 T44	L40-I43 HydrophobicContact CG-CD1 4.23Å; L40-I43 WeakPolarHBondContact O-CB 3.47Å; L40-I43 PolarHBondContact O-N 2.82Å; L40-T44 PolarHBondContact O-N 2.71Å; L40-T44 PolarHBondContact O-OG1 3.47Å
41	T	29.4	Very low	32.6	Very low	102 Å²	102	87.9 Å²	87.9	63%	0.626	53%	0.531	S	S	*	.	H	α-helix	trans	-64.9	-32	176.4	-11	0	0	0	0	114.1	S39 T44 A45	S39-T41 PolarHBondContact O-N 2.87Å; S39-T41 WeakPolarHBondContact OG-CB 3.25Å; S39-T41 PolarHBondContact OG-OG1 3.5Å; T41-T44 PolarHBondContact O-OG1 3.43Å; T41-A45 PolarHBondContact O-N 3.36Å
42	R	29.9	Very low	33.2	Very low	169 Å²	169	83.2 Å²	83.2	64%	0.638	51%	0.508	S	S	*	.	H	α-helix	trans	-72.9	-35.3	173.2	-87.2	-176	167.6	-179.4	-3.3	111.7	A38 S39 A45 L46	A38-R42 HydrophobicContact CB-CB 4.15Å; S39-R42 WeakPolarHBondContact O-CB 3.44Å; S39-R42 PolarHBondContact O-N 2.99Å; R42-A45 CarbonylContact O-C 3.51Å; R42-A45 WeakPolarHBondContact O-CA 3.21Å; R42-A45 WeakPolarHBondContact O-CB 3.36Å; R42-A45 PolarHBondContact O-N 2.9Å; R42-A45 VanDerWaalsContact O-N 3.13Å; R42-L46 PolarHBondContact O-N 2.98Å; R42-L46 VanDerWaalsContact O-N 3.13Å
43	I	31.2	Very low	34	Very low	35 Å²	35	81.9 Å²	81.9	18%	0.179	49%	0.494	C	S	.	.	H	α-helix	trans	-64	-46.9	177.5	-44.3	171.4	0	0	0	111	L40 A45 L46 Q128	L40-I43 HydrophobicContact CG-CD1 4.23Å; L40-I43 WeakPolarHBondContact O-CB 3.47Å; L40-I43 PolarHBondContact O-N 2.82Å; I43-A45 PolarHBondContact O-N 3.22Å; I43-L46 HydrophobicContact CG2-CD1 4.35Å; I43-L46 VanDerWaalsContact O-CB 3.3Å; I43-L46 WeakPolarHBondContact O-CB 3.37Å; I43-L46 PolarHBondContact O-N 2.82Å; I43-Q128 HydrophobicContact CD1-CB 3.46Å; I43-Q128 VanDerWaalsContact CD1-CB 3.46Å; I43-Q128 HydrophobicContact CD1-CG 3.48Å; I43-Q128 VanDerWaalsContact CD1-CG 3.48Å; I43-Q128 HydrophobicContact CG1-CB 3.57Å; I43-Q128 HydrophobicContact CG1-CG 3.88Å; I43-Q128 HydrophobicContact CG2-CB 4.39Å
44	T	30.2	Very low	34.6	Very low	116 Å²	116	77 Å²	77	71%	0.712	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.2	176.8	49.3	0	0	0	0	112.9	L40 T41	L40-T44 PolarHBondContact O-N 2.71Å; L40-T44 PolarHBondContact O-OG1 3.47Å; T41-T44 PolarHBondContact O-OG1 3.43Å
45	A	30.5	Very low	35.3	Very low	79 Å²	79	71 Å²	71	65%	0.653	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-6.2	173.7	0	0	0	0	0	113.1	T41 R42 I43 D47	T41-A45 PolarHBondContact O-N 3.36Å; R42-A45 CarbonylContact O-C 3.51Å; R42-A45 WeakPolarHBondContact O-CA 3.21Å; R42-A45 WeakPolarHBondContact O-CB 3.36Å; R42-A45 PolarHBondContact O-N 2.9Å; R42-A45 VanDerWaalsContact O-N 3.13Å; I43-A45 PolarHBondContact O-N 3.22Å; A45-D47 PolarHBondContact O-N 3.12Å
46	L	37.4	Very low	35.9	Very low	51 Å²	51	69.2 Å²	69.2	27%	0.267	41%	0.406	S	S	.	.	S	Bend	trans	-69.7	116.8	170.3	-66.1	172.2	0	0	0	107.6	R42 I43 S48 I51 Q129	R42-L46 PolarHBondContact O-N 2.98Å; R42-L46 VanDerWaalsContact O-N 3.13Å; I43-L46 HydrophobicContact CG2-CD1 4.35Å; I43-L46 VanDerWaalsContact O-CB 3.3Å; I43-L46 WeakPolarHBondContact O-CB 3.37Å; I43-L46 PolarHBondContact O-N 2.82Å; L46-S48 PolarHBondContact O-N 3.41Å; L46-I51 HydrophobicContact CB-CD1 3.82Å; L46-I51 HydrophobicContact CB-CG1 4.1Å; L46-I51 HydrophobicContact CD1-CD1 4.46Å; L46-Q129 HydrophobicContact CD1-CG 4.01Å
47	D	41.3	Very low	36.7	Very low	86 Å²	86	65.3 Å²	65.3	46%	0.46	38%	0.379	S	S	.	.			trans	-56.7	123.6	173.3	176.9	14.6	0	0	0	109.1	A45 H49 S50 I51	A45-D47 PolarHBondContact O-N 3.12Å; D47-H49 PolarHBondContact O-N 3.07Å; D47-H49 PolarHBondContact OD1-N 3.28Å; D47-H49 VanDerWaalsContact OD1-N 3.12Å; D47-H49 WeakPolarHBondContact OD2-CB 3.45Å; D47-S50 WeakPolarHBondContact O-CA 3.36Å; D47-S50 WeakPolarHBondContact O-CB 3.35Å; D47-S50 PolarHBondContact O-N 2.79Å; D47-I51 PolarHBondContact O-N 2.73Å
48	S	38.2	Very low	37.4	Very low	78 Å²	78	61.9 Å²	61.9	55%	0.545	35%	0.349	S	S	.	.	H	α-helix	trans	-48.9	-33.6	176	58.6	0	0	0	0	112.5	L46 I51 V52	L46-S48 PolarHBondContact O-N 3.41Å; S48-I51 PolarHBondContact O-N 2.82Å; S48-V52 WeakPolarHBondContact O-CG2 3.38Å; S48-V52 PolarHBondContact O-N 3.37Å; S48-V52 VanDerWaalsContact O-N 3.14Å
49	H	42.9	Very low	37.9	Very low	109 Å²	109	61.2 Å²	61.2	51%	0.505	34%	0.343	S	S	.	.	H	α-helix	trans	-64.6	-42	175.3	-175	53.8	0	0	0	112	D47 I51 V52 E53	D47-H49 PolarHBondContact O-N 3.07Å; D47-H49 PolarHBondContact OD1-N 3.28Å; D47-H49 VanDerWaalsContact OD1-N 3.12Å; D47-H49 WeakPolarHBondContact OD2-CB 3.45Å; H49-I51 VanDerWaalsContact C-N 3.35Å; H49-I51 PolarHBondContact O-N 3.01Å; H49-V52 PolarHBondContact O-N 3.41Å; H49-E53 IonicContact CE1-OE1 3.95Å; H49-E53 PolarHBondContact CE1-OE1 3.24Å; H49-E53 WeakPolarHBondContact O-CG 3.45Å; H49-E53 PolarHBondContact O-N 2.89Å
50	S	41.9	Very low	38.6	Very low	43 Å²	43	59.6 Å²	59.6	30%	0.301	33%	0.331	S	S	.	.	H	α-helix	trans	-67.5	-35.1	-179.6	-61.2	0	0	0	0	112.3	Y29 D47 E53 T54	Y29-S50 WeakPolarHBondContact OH-CB 3.13Å; D47-S50 WeakPolarHBondContact O-CA 3.36Å; D47-S50 WeakPolarHBondContact O-CB 3.35Å; D47-S50 PolarHBondContact O-N 2.79Å; S50-E53 PolarHBondContact O-N 3.27Å; S50-T54 PolarHBondContact O-N 3.21Å; S50-T54 PolarHBondContact O-OG1 2.78Å
51	I	37.3	Very low	39.3	Very low	17 Å²	17	54.7 Å²	54.7	9%	0.087	30%	0.304	C	S	.	.	H	α-helix	trans	-66	-43.4	173.8	-61.4	163	0	0	0	110.5	L46 D47 S48 H49 T54 A55 A132 L133 L136	L46-I51 HydrophobicContact CB-CD1 3.82Å; L46-I51 HydrophobicContact CB-CG1 4.1Å; L46-I51 HydrophobicContact CD1-CD1 4.46Å; D47-I51 PolarHBondContact O-N 2.73Å; S48-I51 PolarHBondContact O-N 2.82Å; H49-I51 VanDerWaalsContact C-N 3.35Å; H49-I51 PolarHBondContact O-N 3.01Å; I51-T54 PolarHBondContact O-N 3.33Å; I51-A55 PolarHBondContact O-N 2.87Å; I51-A132 HydrophobicContact CD1-CB 3.98Å; I51-A132 HydrophobicContact CG2-CB 4.33Å; I51-L133 HydrophobicContact CG2-CD2 3.81Å; I51-L133 HydrophobicContact CG2-CG 4.03Å; I51-L136 HydrophobicContact CB-CD1 4.42Å; I51-L136 HydrophobicContact CG2-CD1 3.56Å
52	V	40.5	Very low	40	Very low	22 Å²	22	50.6 Å²	50.6	13%	0.133	28%	0.278	C	S	.	.	H	α-helix	trans	-64.8	-41.6	176.8	171.1	0	0	0	0	111.5	S48 H49 A55 K56 L136 V154	S48-V52 WeakPolarHBondContact O-CG2 3.38Å; S48-V52 PolarHBondContact O-N 3.37Å; S48-V52 VanDerWaalsContact O-N 3.14Å; H49-V52 PolarHBondContact O-N 3.41Å; V52-A55 WeakPolarHBondContact O-CB 3.45Å; V52-A55 PolarHBondContact O-N 3.36Å; V52-K56 WeakPolarHBondContact O-CG 3.15Å; V52-K56 PolarHBondContact O-N 3.37Å; V52-L136 HydrophobicContact CG2-CD1 4.21Å; V52-V154 HydrophobicContact CG2-CG2 4.24Å
53	E	44.9	Very low	40.5	Very low	60 Å²	60	44.9 Å²	44.9	28%	0.28	26%	0.257	S	S	.	.	H	α-helix	trans	-64.8	-39.1	175.7	-70.2	-55.1	127.9	0	0	111.8	H49 S50 K56 A57	H49-E53 IonicContact CE1-OE1 3.95Å; H49-E53 PolarHBondContact CE1-OE1 3.24Å; H49-E53 WeakPolarHBondContact O-CG 3.45Å; H49-E53 PolarHBondContact O-N 2.89Å; S50-E53 PolarHBondContact O-N 3.27Å; E53-K56 WeakPolarHBondContact O-CB 3.48Å; E53-K56 PolarHBondContact O-N 3.04Å; E53-K56 IonicContact OE1-NZ 2.71Å; E53-K56 PolarHBondContact OE1-NZ 3.44Å; E53-A57 WeakPolarHBondContact O-CB 3.26Å; E53-A57 PolarHBondContact O-N 2.74Å
54	T	44.1	Very low	40.9	Very low	4 Å²	4	46.3 Å²	46.3	3%	0.025	26%	0.261	C	S	.	.	H	α-helix	trans	-63.5	-42.1	171.6	-56.5	0	0	0	0	111.5	L26 S50 I51 K56 A57 V58 L125	L26-T54 HydrophobicContact CD2-CG2 3.9Å; S50-T54 PolarHBondContact O-N 3.21Å; S50-T54 PolarHBondContact O-OG1 2.78Å; I51-T54 PolarHBondContact O-N 3.33Å; T54-K56 VanDerWaalsContact C-N 3.31Å; T54-K56 PolarHBondContact O-N 3.41Å; T54-A57 PolarHBondContact O-N 2.88Å; T54-V58 HydrophobicContact CG2-CG2 4.44Å; T54-V58 WeakPolarHBondContact O-CG2 3.45Å; T54-V58 PolarHBondContact O-N 3.22Å; T54-L125 HydrophobicContact CG2-CD2 3.48Å; T54-L125 VanDerWaalsContact CG2-CD2 3.48Å
55	A	41.6	Very low	41.4	Very low	14 Å²	14	41.9 Å²	41.9	12%	0.116	23%	0.233	C	C	.	.	H	α-helix	trans	-58.1	-43.6	174	0	0	0	0	0	111.8	I51 V52 V58 A59 L133 I150	I51-A55 PolarHBondContact O-N 2.87Å; V52-A55 WeakPolarHBondContact O-CB 3.45Å; V52-A55 PolarHBondContact O-N 3.36Å; A55-V58 PolarHBondContact O-N 2.87Å; A55-A59 VanDerWaalsContact O-CB 3.28Å; A55-A59 WeakPolarHBondContact O-CB 3.3Å; A55-A59 PolarHBondContact O-N 3.18Å; A55-L133 HydrophobicContact CB-CD2 3.45Å; A55-L133 VanDerWaalsContact CB-CD2 3.45Å; A55-I150 HydrophobicContact CB-CD1 4.08Å
56	K	44	Very low	41.7	Very low	69 Å²	69	39.4 Å²	39.4	30%	0.3	21%	0.209	S	C	.	.	H	α-helix	trans	-62.3	-44.3	175.6	-74.4	176.3	-175.3	170.3	0	111.8	V52 E53 T54 A59 T60 I150	V52-K56 WeakPolarHBondContact O-CG 3.15Å; V52-K56 PolarHBondContact O-N 3.37Å; E53-K56 WeakPolarHBondContact O-CB 3.48Å; E53-K56 PolarHBondContact O-N 3.04Å; E53-K56 IonicContact OE1-NZ 2.71Å; E53-K56 PolarHBondContact OE1-NZ 3.44Å; T54-K56 VanDerWaalsContact C-N 3.31Å; T54-K56 PolarHBondContact O-N 3.41Å; K56-A59 PolarHBondContact O-N 3.12Å; K56-T60 VanDerWaalsContact O-CB 3.24Å; K56-T60 WeakPolarHBondContact O-CB 3.33Å; K56-T60 PolarHBondContact O-N 3.08Å; K56-T60 PolarHBondContact O-OG1 3.11Å; K56-I150 VanDerWaalsContact CA-CD1 3.44Å; K56-I150 HydrophobicContact CB-CD1 4.09Å; K56-I150 HydrophobicContact CG-CB 4.12Å; K56-I150 HydrophobicContact CG-CD1 3.57Å; K56-I150 HydrophobicContact CG-CG1 3.73Å
57	A	46.1	Very low	41.6	Very low	5 Å²	5	40.8 Å²	40.8	4%	0.041	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-44.1	178.4	0	0	0	0	0	111.1	L26 E53 T54 T60 F61	L26-A57 HydrophobicContact CD1-CB 4.07Å; L26-A57 HydrophobicContact CD2-CB 3.95Å; L26-A57 HydrophobicContact CG-CB 4.08Å; E53-A57 WeakPolarHBondContact O-CB 3.26Å; E53-A57 PolarHBondContact O-N 2.74Å; T54-A57 PolarHBondContact O-N 2.88Å; A57-T60 PolarHBondContact O-N 2.72Å; A57-F61 WeakPolarHBondContact O-CB 3.48Å; A57-F61 PolarHBondContact O-N 3.22Å
58	V	44.2	Very low	41.1	Very low	21 Å²	21	43.7 Å²	43.7	13%	0.127	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-46.7	175.3	170.2	0	0	0	0	111.1	T54 A55 F61 L62 A121 L125	T54-V58 HydrophobicContact CG2-CG2 4.44Å; T54-V58 WeakPolarHBondContact O-CG2 3.45Å; T54-V58 PolarHBondContact O-N 3.22Å; A55-V58 PolarHBondContact O-N 2.87Å; V58-F61 WeakPolarHBondContact O-CB 3.34Å; V58-F61 PolarHBondContact O-N 2.87Å; V58-L62 HydrophobicContact CG1-CD1 3.9Å; V58-L62 HydrophobicContact CG1-CG 4.41Å; V58-L62 WeakPolarHBondContact O-CB 3.32Å; V58-L62 VanDerWaalsContact O-CG 3.26Å; V58-L62 WeakPolarHBondContact O-CG 3.33Å; V58-L62 PolarHBondContact O-N 2.64Å; V58-A121 HydrophobicContact CG1-CB 4.13Å; V58-L125 HydrophobicContact CG2-CD1 4.34Å
59	A	41.8	Very low	40.8	Very low	8 Å²	8	41.5 Å²	41.5	7%	0.066	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-42.5	178.1	0	0	0	0	0	112.9	A55 K56 F61 L62 Y63 L141 V148 I150	A55-A59 VanDerWaalsContact O-CB 3.28Å; A55-A59 WeakPolarHBondContact O-CB 3.3Å; A55-A59 PolarHBondContact O-N 3.18Å; K56-A59 PolarHBondContact O-N 3.12Å; A59-F61 VanDerWaalsContact C-N 3.34Å; A59-L62 PolarHBondContact O-N 3.1Å; A59-Y63 WeakPolarHBondContact O-CB 3.25Å; A59-Y63 PolarHBondContact O-N 3.24Å; A59-L141 HydrophobicContact CB-CD2 3.48Å; A59-L141 VanDerWaalsContact CB-CD2 3.48Å; A59-V148 HydrophobicContact CB-CG1 4.24Å; A59-I150 HydrophobicContact CB-CD1 4.08Å
60	T	43.9	Very low	40.1	Very low	29 Å²	29	40.3 Å²	40.3	18%	0.178	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-40.5	175.8	-57.9	0	0	0	0	110.9	K56 A57 Y63 K64	K56-T60 VanDerWaalsContact O-CB 3.24Å; K56-T60 WeakPolarHBondContact O-CB 3.33Å; K56-T60 PolarHBondContact O-N 3.08Å; K56-T60 PolarHBondContact O-OG1 3.11Å; A57-T60 PolarHBondContact O-N 2.72Å; T60-Y63 PolarHBondContact O-N 3.09Å; T60-K64 HydrophobicContact CG2-CD 4.36Å; T60-K64 WeakPolarHBondContact O-CB 3.44Å; T60-K64 PolarHBondContact O-N 3.46Å
61	F	44.3	Very low	39.4	Very low	32 Å²	32	38.9 Å²	38.9	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-50.8	173.9	168.5	-97.5	0	0	0	110.6	A57 V58 A59 Y63 K64 F65 F88	A57-F61 WeakPolarHBondContact O-CB 3.48Å; A57-F61 PolarHBondContact O-N 3.22Å; V58-F61 WeakPolarHBondContact O-CB 3.34Å; V58-F61 PolarHBondContact O-N 2.87Å; A59-F61 VanDerWaalsContact C-N 3.34Å; F61-Y63 VanDerWaalsContact C-N 3.34Å; F61-Y63 PolarHBondContact O-N 3.42Å; F61-K64 PolarHBondContact O-N 3.27Å; F61-F65 HydrophobicContact CE2-CD2 4.32Å; F61-F65 HydrophobicContact CZ-CB 4.32Å; F61-F65 AromaticContact CZ-CD2 3.92Å; F61-F65 HydrophobicContact CZ-CD2 3.92Å; F61-F65 HydrophobicContact CZ-CG 4.26Å; F61-F65 WeakPolarHBondContact O-CB 3.22Å; F61-F65 PolarHBondContact O-N 3.2Å; F61-F88 HydrophobicContact CE2-CZ 4.07Å; F61-F88 HydrophobicContact CZ-CE2 4.26Å; F61-F88 AromaticContact CZ-CZ 3.57Å; F61-F88 HydrophobicContact CZ-CZ 3.57Å
62	L	44	Very low	38.8	Very low	15 Å²	15	40.9 Å²	40.9	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-58.9	-44.3	177.1	-71.3	168.3	0	0	0	111.5	V58 A59 F65 V66 I173	V58-L62 HydrophobicContact CG1-CD1 3.9Å; V58-L62 HydrophobicContact CG1-CG 4.41Å; V58-L62 WeakPolarHBondContact O-CB 3.32Å; V58-L62 VanDerWaalsContact O-CG 3.26Å; V58-L62 WeakPolarHBondContact O-CG 3.33Å; V58-L62 PolarHBondContact O-N 2.64Å; A59-L62 PolarHBondContact O-N 3.1Å; L62-F65 PolarHBondContact O-N 3.07Å; L62-V66 WeakPolarHBondContact O-CB 3.46Å; L62-V66 WeakPolarHBondContact O-CG2 3.25Å; L62-V66 PolarHBondContact O-N 2.64Å; L62-I173 HydrophobicContact CD1-CD1 4.33Å; L62-I173 HydrophobicContact CD1-CG1 3.71Å; L62-I173 HydrophobicContact CD2-CD1 3.87Å; L62-I173 HydrophobicContact CD2-CG1 3.99Å; L62-I173 HydrophobicContact CG-CG1 4.41Å
63	Y	39.3	Very low	38.2	Very low	49 Å²	49	43.3 Å²	43.3	19%	0.192	24%	0.235	C	C	.	.	H	α-helix	trans	-59.2	-53.3	175.9	171.2	-120.3	0	0	0	112.6	A59 T60 F61 F65 V66 S67 L143 V148 Y176	A59-Y63 WeakPolarHBondContact O-CB 3.25Å; A59-Y63 PolarHBondContact O-N 3.24Å; T60-Y63 PolarHBondContact O-N 3.09Å; F61-Y63 VanDerWaalsContact C-N 3.34Å; F61-Y63 PolarHBondContact O-N 3.42Å; Y63-F65 VanDerWaalsContact C-N 3.32Å; Y63-F65 PolarHBondContact O-N 3Å; Y63-V66 PolarHBondContact O-N 3.22Å; Y63-S67 WeakPolarHBondContact O-CB 3.22Å; Y63-S67 PolarHBondContact O-N 3.17Å; Y63-L143 HydrophobicContact CD2-CD1 4.37Å; Y63-L143 HydrophobicContact CE1-CD1 3.95Å; Y63-L143 HydrophobicContact CE2-CD1 3.63Å; Y63-L143 WeakPolarHBondContact OH-CD1 3.49Å; Y63-V148 HydrophobicContact CD1-CG2 3.61Å; Y63-V148 HydrophobicContact CD2-CG2 4.35Å; Y63-V148 HydrophobicContact CE1-CG2 4.37Å; Y63-V148 HydrophobicContact CG-CG2 3.57Å; Y63-Y176 HydrophobicContact CD2-CE1 4.35Å; Y63-Y176 AromaticContact CD2-CZ 3.78Å; Y63-Y176 WeakPolarHBondContact CD2-OH 3.36Å; Y63-Y176 WeakPolarHBondContact CE2-OH 3.08Å
64	K	41.3	Very low	37.3	Very low	65 Å²	65	40.8 Å²	40.8	28%	0.283	22%	0.223	S	C	.	.	H	α-helix	trans	-65.4	-38.3	179.6	-76.8	-176.1	175.5	177.9	0	111.2	H19 C20 T60 F61 S67 L68	H19-K64 PolarHBondContact O-NZ 2.94Å; C20-K64 WeakPolarHBondContact SG-CD 3.42Å; C20-K64 PolarHBondContact SG-NZ 3.28Å; T60-K64 HydrophobicContact CG2-CD 4.36Å; T60-K64 WeakPolarHBondContact O-CB 3.44Å; T60-K64 PolarHBondContact O-N 3.46Å; F61-K64 PolarHBondContact O-N 3.27Å; K64-S67 WeakPolarHBondContact CA-OG 3.28Å; K64-S67 PolarHBondContact O-N 3.14Å; K64-S67 PolarHBondContact O-OG 3.43Å; K64-L68 WeakPolarHBondContact O-CB 3.07Å; K64-L68 WeakPolarHBondContact O-CG 3.4Å; K64-L68 PolarHBondContact O-N 2.8Å
65	F	39.3	Very low	36.3	Very low	24 Å²	24	42 Å²	42	11%	0.105	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-51.5	176.7	-171.7	-96.5	0	0	0	111.1	F61 L62 Y63 S67 L68 T69 I113 S117	F61-F65 HydrophobicContact CE2-CD2 4.32Å; F61-F65 HydrophobicContact CZ-CB 4.32Å; F61-F65 AromaticContact CZ-CD2 3.92Å; F61-F65 HydrophobicContact CZ-CD2 3.92Å; F61-F65 HydrophobicContact CZ-CG 4.26Å; F61-F65 WeakPolarHBondContact O-CB 3.22Å; F61-F65 PolarHBondContact O-N 3.2Å; L62-F65 PolarHBondContact O-N 3.07Å; Y63-F65 VanDerWaalsContact C-N 3.32Å; Y63-F65 PolarHBondContact O-N 3Å; F65-S67 VanDerWaalsContact C-N 3.27Å; F65-S67 PolarHBondContact O-N 2.93Å; F65-L68 PolarHBondContact O-N 2.85Å; F65-L68 VanDerWaalsContact O-N 3.1Å; F65-T69 HydrophobicContact CD1-CG2 4.3Å; F65-T69 HydrophobicContact CE1-CG2 3.92Å; F65-T69 HydrophobicContact CE2-CG2 4.37Å; F65-T69 HydrophobicContact CZ-CG2 3.95Å; F65-T69 PolarHBondContact O-N 3.31Å; F65-T69 PolarHBondContact O-OG1 2.97Å; F65-I113 HydrophobicContact CE1-CG2 4.19Å; F65-I113 HydrophobicContact CZ-CG2 3.55Å; F65-S117 WeakPolarHBondContact CE2-OG 3.22Å; F65-S117 WeakPolarHBondContact CZ-OG 3.05Å
66	V	36.9	Very low	35.3	Very low	27 Å²	27	49 Å²	49	16%	0.164	26%	0.261	C	S	.	.	H	α-helix	trans	-58.6	-38.9	174.8	170.5	0	0	0	0	111.5	L62 Y63 L68 T69 Y177	L62-V66 WeakPolarHBondContact O-CB 3.46Å; L62-V66 WeakPolarHBondContact O-CG2 3.25Å; L62-V66 PolarHBondContact O-N 2.64Å; Y63-V66 PolarHBondContact O-N 3.22Å; V66-L68 VanDerWaalsContact C-N 3.34Å; V66-L68 PolarHBondContact O-N 2.93Å; V66-T69 PolarHBondContact O-OG1 3.43Å; V66-Y177 HydrophobicContact CG1-CE1 4.03Å; V66-Y177 WeakPolarHBondContact CG1-OH 3.16Å; V66-Y177 WeakPolarHBondContact CG2-OH 3.33Å
67	S	35.8	Very low	34.4	Very low	80 Å²	80	46.4 Å²	46.4	56%	0.559	26%	0.255	S	S	*	.	H	α-helix	trans	-69.6	-28.2	177.4	77.6	0	0	0	0	114.1	Y63 K64 F65	Y63-S67 WeakPolarHBondContact O-CB 3.22Å; Y63-S67 PolarHBondContact O-N 3.17Å; K64-S67 WeakPolarHBondContact CA-OG 3.28Å; K64-S67 PolarHBondContact O-N 3.14Å; K64-S67 PolarHBondContact O-OG 3.43Å; F65-S67 VanDerWaalsContact C-N 3.27Å; F65-S67 PolarHBondContact O-N 2.93Å
68	L	30	Very low	33.5	Very low	146 Å²	146	50.1 Å²	50.1	76%	0.764	28%	0.276	S	S	*	.	H	α-helix	trans	-87.4	-28	-179.1	-72.9	169.4	0	0	0	112.2	K64 F65 V66	K64-L68 WeakPolarHBondContact O-CB 3.07Å; K64-L68 WeakPolarHBondContact O-CG 3.4Å; K64-L68 PolarHBondContact O-N 2.8Å; F65-L68 PolarHBondContact O-N 2.85Å; F65-L68 VanDerWaalsContact O-N 3.1Å; V66-L68 VanDerWaalsContact C-N 3.34Å; V66-L68 PolarHBondContact O-N 2.93Å
69	T	31.8	Very low	32.7	Very low	33 Å²	33	52.7 Å²	52.7	20%	0.202	29%	0.292	C	S	.	.	S	Bend	trans	-87.8	119	178.3	52.4	0	0	0	0	110.5	F65 V66 V71	F65-T69 HydrophobicContact CD1-CG2 4.3Å; F65-T69 HydrophobicContact CE1-CG2 3.92Å; F65-T69 HydrophobicContact CE2-CG2 4.37Å; F65-T69 HydrophobicContact CZ-CG2 3.95Å; F65-T69 PolarHBondContact O-N 3.31Å; F65-T69 PolarHBondContact O-OG1 2.97Å; V66-T69 PolarHBondContact O-OG1 3.43Å; T69-V71 WeakPolarHBondContact O-CG2 3.26Å; T69-V71 PolarHBondContact O-N 2.96Å
70	D	28.1	Very low	32	Very low	84 Å²	84	61.2 Å²	61.2	45%	0.449	32%	0.323	S	S	.	.			trans	-61	102.2	169.6	-163.1	-31.3	0	0	0	109.1	S72 I73 F74 K191	D70-S72 PolarHBondContact O-N 3.17Å; D70-S72 PolarHBondContact OD1-OG 2.82Å; D70-I73 PolarHBondContact O-N 2.7Å; D70-F74 WeakPolarHBondContact O-CE2 3.24Å; D70-K191 WeakPolarHBondContact OD1-CE 3.21Å; D70-K191 IonicContact OD1-NZ 3.2Å; D70-K191 PolarHBondContact OD1-NZ 3.33Å; D70-K191 IonicContact OD2-NZ 2.69Å
71	V	28.4	Very low	31	Very low	12 Å²	12	67.4 Å²	67.4	7%	0.073	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-66.2	-3.4	-168.3	-149.8	0	0	0	0	114.4	T69 I73 F74 K191 A195	T69-V71 WeakPolarHBondContact O-CG2 3.26Å; T69-V71 PolarHBondContact O-N 2.96Å; V71-I73 VanDerWaalsContact C-N 3.31Å; V71-I73 PolarHBondContact O-N 2.77Å; V71-F74 HydrophobicContact CB-CD2 4.14Å; V71-F74 HydrophobicContact CB-CE2 4.03Å; V71-F74 HydrophobicContact CB-CZ 4.17Å; V71-F74 HydrophobicContact CG1-CD1 3.64Å; V71-F74 HydrophobicContact CG1-CD2 3.81Å; V71-F74 HydrophobicContact CG1-CE1 3.53Å; V71-F74 HydrophobicContact CG1-CE2 3.83Å; V71-F74 HydrophobicContact CG1-CG 3.76Å; V71-F74 HydrophobicContact CG1-CZ 3.64Å; V71-F74 WeakPolarHBondContact O-CB 3.45Å; V71-F74 WeakPolarHBondContact O-CD2 3.34Å; V71-F74 VanDerWaalsContact O-CG 3.28Å; V71-F74 WeakPolarHBondContact O-CG 3.49Å; V71-K191 HydrophobicContact CB-CB 3.47Å; V71-K191 VanDerWaalsContact CB-CB 3.47Å; V71-K191 HydrophobicContact CB-CD 3.86Å; V71-K191 HydrophobicContact CB-CG 3.64Å; V71-K191 HydrophobicContact CG1-CB 4.27Å; V71-K191 WeakPolarHBondContact CG1-O 3.48Å; V71-K191 HydrophobicContact CG2-CB 4Å; V71-K191 HydrophobicContact CG2-CD 4.01Å; V71-K191 HydrophobicContact CG2-CG 4.27Å; V71-A195 HydrophobicContact CG1-CB 3.59Å
72	S	24.6	Very low	30.2	Very low	60 Å²	60	67.8 Å²	67.8	42%	0.42	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-75	-17.1	178.7	58.4	0	0	0	0	113.8	D70 F74	D70-S72 PolarHBondContact O-N 3.17Å; D70-S72 PolarHBondContact OD1-OG 2.82Å; S72-F74 VanDerWaalsContact C-N 3.27Å; S72-F74 PolarHBondContact O-N 3.15Å
73	I	26.8	Very low	29.4	Very low	72 Å²	72	74.9 Å²	74.9	37%	0.369	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-91.7	18.3	-176	-51.9	170.6	0	0	0	110.5	D70 V71 T107 N110	D70-I73 PolarHBondContact O-N 2.7Å; V71-I73 VanDerWaalsContact C-N 3.31Å; V71-I73 PolarHBondContact O-N 2.77Å; I73-T107 WeakPolarHBondContact O-CA 3.26Å; I73-N110 WeakPolarHBondContact CB-ND2 3.21Å; I73-N110 WeakPolarHBondContact CG2-ND2 3.36Å; I73-N110 WeakPolarHBondContact O-CB 3.4Å; I73-N110 VanDerWaalsContact O-CG 3.27Å; I73-N110 PolarHBondContact O-ND2 3.4Å
74	F	27.9	Very low	28.8	Very low	7 Å²	7	75.4 Å²	75.4	3%	0.031	40%	0.403	C	S	.	.			trans	-93	-16.9	-162.1	-80.2	-125.3	0	0	0	115.2	D70 V71 S72 K76 N110 S111 L114 D194 A195	D70-F74 WeakPolarHBondContact O-CE2 3.24Å; V71-F74 HydrophobicContact CB-CD2 4.14Å; V71-F74 HydrophobicContact CB-CE2 4.03Å; V71-F74 HydrophobicContact CB-CZ 4.17Å; V71-F74 HydrophobicContact CG1-CD1 3.64Å; V71-F74 HydrophobicContact CG1-CD2 3.81Å; V71-F74 HydrophobicContact CG1-CE1 3.53Å; V71-F74 HydrophobicContact CG1-CE2 3.83Å; V71-F74 HydrophobicContact CG1-CG 3.76Å; V71-F74 HydrophobicContact CG1-CZ 3.64Å; V71-F74 WeakPolarHBondContact O-CB 3.45Å; V71-F74 WeakPolarHBondContact O-CD2 3.34Å; V71-F74 VanDerWaalsContact O-CG 3.28Å; V71-F74 WeakPolarHBondContact O-CG 3.49Å; S72-F74 VanDerWaalsContact C-N 3.27Å; S72-F74 PolarHBondContact O-N 3.15Å; F74-K76 PolarHBondContact O-N 2.69Å; F74-N110 HydrophobicContact CD2-CB 4.5Å; F74-S111 PolarHBondContact O-OG 2.7Å; F74-L114 HydrophobicContact CD1-CD1 3.79Å; F74-L114 HydrophobicContact CE1-CD1 3.43Å; F74-L114 VanDerWaalsContact CE1-CD1 3.43Å; F74-L114 HydrophobicContact CE1-CG 4.39Å; F74-D194 HydrophobicContact CB-CB 4.12Å; F74-A195 HydrophobicContact CD1-CB 3.75Å; F74-A195 HydrophobicContact CE1-CB 4.15Å
75	A	21.9	Very low	28.3	Very low	30 Å²	30	75.5 Å²	75.5	25%	0.248	41%	0.407	C	S	.	.			trans	-86.7	88.7	-163.1	0	0	0	0	0	114.9	T107	A75-T107 HydrophobicContact CB-CG2 4.16Å; A75-T107 WeakPolarHBondContact O-CB 3.18Å; A75-T107 VanDerWaalsContact O-CG2 3.27Å; A75-T107 WeakPolarHBondContact O-CG2 3.21Å; A75-T107 PolarHBondContact O-OG1 3.39Å
76	K	21.8	Very low	27.7	Very low	161 Å²	161	76 Å²	76	70%	0.7	42%	0.415	S	S	*	.			trans	122.3	90.3	155.8	-62.6	156.5	-175.6	175.7	0	116	F74 T107 H108	F74-K76 PolarHBondContact O-N 2.69Å; K76-T107 CarbonylContact C-O 3.6Å; K76-H108 WeakPolarHBondContact O-CA 3.43Å; K76-H108 PolarHBondContact O-ND1 3.04Å
77	G	24.3	Very low	27.6	Very low	15 Å²	15	78.5 Å²	78.5	16%	0.155	43%	0.428	C	S	.	.				154.9	139	129.7	0	0	0	0	0	122.1	H108 S111	G77-H108 WeakPolarHBondContact CA-ND1 3.15Å; G77-S111 PolarHBondContact N-OG 3.22Å; G77-S111 WeakPolarHBondContact O-CB 3.42Å
78	V	27.8	Very low	27.5	Very low	82 Å²	82	75.6 Å²	75.6	50%	0.497	41%	0.405	S	S	.	.			trans	61.2	145.9	132.4	-170.5	0	0	0	0	123.5	H108	V78-H108 VanDerWaalsContact CB-CE1 3.41Å; V78-H108 WeakPolarHBondContact CB-CE1 3.32Å
79	T	27	Very low	27.5	Very low	76 Å²	76	69.4 Å²	69.4	47%	0.466	37%	0.372	S	S	.	.			trans	-67.7	159	-168.9	57.5	0	0	0	0	121.2
80	R	26.7	Very low	27.5	Very low	186 Å²	186	68.9 Å²	68.9	70%	0.702	37%	0.373	S	S	*	.			trans	82.8	-0	134.9	-95.6	-172.9	-170.9	-177.5	5.9	124.1	E209	R80-E209 IonicContact CZ-OE1 3.65Å; R80-E209 IonicContact NE-OE1 3.72Å; R80-E209 IonicContact NH2-OE1 2.69Å; R80-E209 PolarHBondContact NH2-OE1 3Å
81	H	23	Very low	27.7	Very low	159 Å²	159	66.8 Å²	66.8	74%	0.736	36%	0.359	S	S	*	.			trans	-136.2	100.9	173.5	-65.3	-48.9	0	0	0	111
82	T	28.7	Very low	27.8	Very low	41 Å²	41	68.4 Å²	68.4	25%	0.252	37%	0.367	S	S	.	.			trans	167.6	68.7	148.7	37	0	0	0	0	112.7	S84 N87 Q116	T82-S84 PolarHBondContact O-N 2.78Å; T82-N87 HydrophobicContact CG2-CB 3.77Å; T82-N87 WeakPolarHBondContact CG2-ND2 3.37Å; T82-Q116 VanDerWaalsContact OG1-CG 3.3Å; T82-Q116 WeakPolarHBondContact OG1-CG 3.4Å; T82-Q116 PolarHBondContact OG1-NE2 2.8Å
83	D	26.5	Very low	27.9	Very low	164 Å²	164	69.1 Å²	69.1	88%	0.877	36%	0.364	S	S	*	.			trans	-79.4	32.6	-179.2	-54.7	-30.1	0	0	0	114.3
84	S	27	Very low	28	Very low	59 Å²	59	74.4 Å²	74.4	41%	0.413	38%	0.379	S	S	.	.	S	Bend	trans	-149.8	140.6	177.5	76.5	0	0	0	0	115.9	T82 A86 N87	T82-S84 PolarHBondContact O-N 2.78Å; S84-A86 PolarHBondContact O-N 3.37Å; S84-A86 VanDerWaalsContact O-N 3.12Å; S84-N87 WeakPolarHBondContact O-CB 2.98Å; S84-N87 PolarHBondContact O-N 2.93Å
85	L	29.3	Very low	28.1	Very low	68 Å²	68	78.9 Å²	78.9	36%	0.356	40%	0.399	S	S	.	.	H	α-helix	trans	-52.1	-28.7	171.9	-175.8	68.4	0	0	0	112.9	N87 F88 I89 A120	L85-N87 VanDerWaalsContact C-N 3.33Å; L85-N87 PolarHBondContact O-N 2.85Å; L85-F88 HydrophobicContact CD1-CD1 3.81Å; L85-F88 WeakPolarHBondContact O-CB 3.2Å; L85-F88 PolarHBondContact O-N 3.43Å; L85-I89 HydrophobicContact CD1-CD1 4.47Å; L85-I89 HydrophobicContact CD2-CD1 4.35Å; L85-I89 HydrophobicContact CG-CD1 3.93Å; L85-I89 HydrophobicContact CG-CG1 4.41Å; L85-I89 WeakPolarHBondContact O-CG1 3.45Å; L85-I89 PolarHBondContact O-N 2.84Å; L85-A120 HydrophobicContact CD1-CB 3.87Å
86	A	27.9	Very low	28.2	Very low	35 Å²	35	81.7 Å²	81.7	29%	0.289	41%	0.406	S	S	.	.	H	α-helix	trans	-59.7	-39.7	174.7	0	0	0	0	0	112.7	F9 S84 G90	F9-A86 HydrophobicContact CE1-CB 4.27Å; F9-A86 WeakPolarHBondContact CE1-O 3.34Å; F9-A86 HydrophobicContact CE2-CB 3.59Å; F9-A86 HydrophobicContact CZ-CB 3.41Å; F9-A86 VanDerWaalsContact CZ-CB 3.41Å; F9-A86 WeakPolarHBondContact CZ-O 3.45Å; S84-A86 PolarHBondContact O-N 3.37Å; S84-A86 VanDerWaalsContact O-N 3.12Å; A86-G90 PolarHBondContact O-N 3.33Å
87	N	34	Very low	28.6	Very low	79 Å²	79	79.3 Å²	79.3	42%	0.422	41%	0.407	S	S	.	.	H	α-helix	trans	-70.8	-37.4	175.9	-71.1	-26.7	0	0	0	111.5	T82 S84 L85 W91	T82-N87 HydrophobicContact CG2-CB 3.77Å; T82-N87 WeakPolarHBondContact CG2-ND2 3.37Å; S84-N87 WeakPolarHBondContact O-CB 2.98Å; S84-N87 PolarHBondContact O-N 2.93Å; L85-N87 VanDerWaalsContact C-N 3.33Å; L85-N87 PolarHBondContact O-N 2.85Å; N87-W91 WeakPolarHBondContact O-CB 2.98Å; N87-W91 PolarHBondContact O-N 3.43Å; N87-W91 VanDerWaalsContact O-N 3.11Å
88	F	33.9	Very low	28.9	Very low	19 Å²	19	84.4 Å²	84.4	8%	0.083	43%	0.431	C	S	.	.	H	α-helix	trans	-62.5	-46	176.4	171.3	-104.2	0	0	0	112.3	F61 L85 W91 I92 S117 A120	F61-F88 HydrophobicContact CE2-CZ 4.07Å; F61-F88 HydrophobicContact CZ-CE2 4.26Å; F61-F88 AromaticContact CZ-CZ 3.57Å; F61-F88 HydrophobicContact CZ-CZ 3.57Å; L85-F88 HydrophobicContact CD1-CD1 3.81Å; L85-F88 WeakPolarHBondContact O-CB 3.2Å; L85-F88 PolarHBondContact O-N 3.43Å; F88-W91 WeakPolarHBondContact O-CB 3.35Å; F88-W91 PolarHBondContact O-N 3.01Å; F88-I92 HydrophobicContact CD1-CD1 4.29Å; F88-I92 HydrophobicContact CE1-CD1 3.6Å; F88-I92 HydrophobicContact CE2-CD1 4.12Å; F88-I92 HydrophobicContact CE2-CG1 4.43Å; F88-I92 HydrophobicContact CZ-CD1 3.5Å; F88-I92 HydrophobicContact CZ-CG1 4.28Å; F88-I92 PolarHBondContact O-N 2.75Å; F88-S117 WeakPolarHBondContact CE2-OG 3.47Å; F88-A120 HydrophobicContact CB-CB 4.02Å; F88-A120 HydrophobicContact CD1-CB 3.78Å; F88-A120 HydrophobicContact CD2-CB 4.04Å; F88-A120 HydrophobicContact CE1-CB 4.23Å; F88-A120 HydrophobicContact CE2-CB 4.49Å; F88-A120 HydrophobicContact CG-CB 3.67Å
89	I	30.3	Very low	28.8	Very low	15 Å²	15	83.7 Å²	83.7	8%	0.077	44%	0.441	C	S	.	.	H	α-helix	trans	-73.3	-40.4	179.6	-58	163.2	0	0	0	111.9	F9 A12 I13 L85 W91 I92 Q93	F9-I89 HydrophobicContact CB-CB 4.17Å; F9-I89 HydrophobicContact CB-CD1 4.12Å; F9-I89 HydrophobicContact CB-CG2 3.62Å; F9-I89 HydrophobicContact CD1-CB 3.72Å; F9-I89 HydrophobicContact CD1-CG2 3.75Å; F9-I89 HydrophobicContact CE1-CB 4.49Å; F9-I89 HydrophobicContact CG-CB 4.07Å; F9-I89 HydrophobicContact CG-CD1 4.27Å; F9-I89 HydrophobicContact CG-CG2 3.99Å; A12-I89 HydrophobicContact CB-CG2 3.86Å; I13-I89 HydrophobicContact CD1-CD1 3.7Å; I13-I89 HydrophobicContact CG1-CD1 4.07Å; I13-I89 HydrophobicContact CG1-CG2 4.36Å; L85-I89 HydrophobicContact CD1-CD1 4.47Å; L85-I89 HydrophobicContact CD2-CD1 4.35Å; L85-I89 HydrophobicContact CG-CD1 3.93Å; L85-I89 HydrophobicContact CG-CG1 4.41Å; L85-I89 WeakPolarHBondContact O-CG1 3.45Å; L85-I89 PolarHBondContact O-N 2.84Å; I89-W91 PolarHBondContact O-N 2.72Å; I89-W91 VanDerWaalsContact O-N 3.1Å; I89-I92 PolarHBondContact O-N 3.49Å; I89-Q93 WeakPolarHBondContact O-CG 3.25Å; I89-Q93 PolarHBondContact O-N 2.83Å
90	G	31.6	Very low	28.6	Very low	22 Å²	22	87.3 Å²	87.3	23%	0.227	46%	0.457	C	S	.	.	H	α-helix	trans	-60	-18.5	172.5	0	0	0	0	0	113.1	A86	A86-G90 PolarHBondContact O-N 3.33Å
91	W	32.8	Very low	28.5	Very low	41 Å²	41	82.1 Å²	82.1	16%	0.155	45%	0.446	C	S	.	.	H	α-helix	trans	-94.3	-40.2	179.6	-170.6	92.2	0	0	0	113.4	N87 F88 I89 Q93 R94 F95 I113	N87-W91 WeakPolarHBondContact O-CB 2.98Å; N87-W91 PolarHBondContact O-N 3.43Å; N87-W91 VanDerWaalsContact O-N 3.11Å; F88-W91 WeakPolarHBondContact O-CB 3.35Å; F88-W91 PolarHBondContact O-N 3.01Å; I89-W91 PolarHBondContact O-N 2.72Å; I89-W91 VanDerWaalsContact O-N 3.1Å; W91-Q93 PolarHBondContact O-N 3.32Å; W91-Q93 VanDerWaalsContact O-N 3.14Å; W91-R94 WeakPolarHBondContact O-CB 3.48Å; W91-R94 PolarHBondContact O-N 2.81Å; W91-F95 HydrophobicContact CD2-CD2 4.02Å; W91-F95 HydrophobicContact CD2-CE2 4.15Å; W91-F95 AromaticContact CE2-CD2 3.59Å; W91-F95 AromaticContact CE2-CE2 3.27Å; W91-F95 HydrophobicContact CE3-CD2 4.18Å; W91-F95 HydrophobicContact CH2-CD1 4.27Å; W91-F95 AromaticContact CH2-CD2 3.4Å; W91-F95 HydrophobicContact CH2-CD2 3.4Å; W91-F95 VanDerWaalsContact CH2-CD2 3.4Å; W91-F95 HydrophobicContact CH2-CE1 4.29Å; W91-F95 AromaticContact CH2-CE2 3.5Å; W91-F95 HydrophobicContact CH2-CE2 3.5Å; W91-F95 VanDerWaalsContact CH2-CE2 3.5Å; W91-F95 AromaticContact CH2-CG 3.85Å; W91-F95 HydrophobicContact CH2-CG 3.85Å; W91-F95 AromaticContact CH2-CZ 3.92Å; W91-F95 HydrophobicContact CH2-CZ 3.92Å; W91-F95 AromaticContact CZ2-CD2 3.25Å; W91-F95 HydrophobicContact CZ2-CD2 3.25Å; W91-F95 HydrophobicContact CZ2-CE1 4.18Å; W91-F95 AromaticContact CZ2-CE2 2.86Å; W91-F95 HydrophobicContact CZ2-CE2 2.86Å; W91-F95 HydrophobicContact CZ2-CG 4.1Å; W91-F95 AromaticContact CZ2-CZ 3.37Å; W91-F95 HydrophobicContact CZ2-CZ 3.37Å; W91-F95 AromaticContact CZ3-CD2 3.91Å; W91-F95 HydrophobicContact CZ3-CD2 3.91Å; W91-F95 HydrophobicContact CZ3-CE2 4.37Å; W91-F95 HydrophobicContact CZ3-CG 4.33Å; W91-F95 AromaticContact NE1-CE2 3.68Å; W91-F95 PolarHBondContact O-N 2.86Å; W91-I113 HydrophobicContact CD2-CG1 4.48Å; W91-I113 HydrophobicContact CH2-CB 4.28Å; W91-I113 HydrophobicContact CH2-CD1 3.34Å; W91-I113 HydrophobicContact CH2-CG1 3.39Å; W91-I113 HydrophobicContact CH2-CG2 3.8Å; W91-I113 HydrophobicContact CZ2-CD1 3.19Å; W91-I113 HydrophobicContact CZ2-CG1 3.23Å; W91-I113 HydrophobicContact CZ2-CG2 4.49Å; W91-I113 HydrophobicContact CZ3-CD1 4.4Å; W91-I113 HydrophobicContact CZ3-CG1 4.05Å; W91-I113 HydrophobicContact CZ3-CG2 3.88Å
92	I	29.3	Very low	28.6	Very low	46 Å²	46	80.5 Å²	80.5	24%	0.236	45%	0.449	C	S	.	.	H	α-helix	trans	-51.8	-37	167.3	-70.2	177.9	0	0	0	110.6	A12 L16 F88 I89 R94 F95	A12-I92 HydrophobicContact CB-CG2 4.1Å; L16-I92 HydrophobicContact CD1-CD1 4.44Å; F88-I92 HydrophobicContact CD1-CD1 4.29Å; F88-I92 HydrophobicContact CE1-CD1 3.6Å; F88-I92 HydrophobicContact CE2-CD1 4.12Å; F88-I92 HydrophobicContact CE2-CG1 4.43Å; F88-I92 HydrophobicContact CZ-CD1 3.5Å; F88-I92 HydrophobicContact CZ-CG1 4.28Å; F88-I92 PolarHBondContact O-N 2.75Å; I89-I92 PolarHBondContact O-N 3.49Å; I92-R94 PolarHBondContact O-N 2.82Å; I92-F95 PolarHBondContact O-N 2.95Å
93	Q	28	Very low	28.4	Very low	74 Å²	74	82.3 Å²	82.3	35%	0.346	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-61.8	-26.8	175.8	-72.4	177.5	-22	0	0	114.2	P8 A12 I89 W91	P8-Q93 PolarHBondContact O-NE2 2.85Å; A12-Q93 HydrophobicContact CB-CG 3.51Å; I89-Q93 WeakPolarHBondContact O-CG 3.25Å; I89-Q93 PolarHBondContact O-N 2.83Å; W91-Q93 PolarHBondContact O-N 3.32Å; W91-Q93 VanDerWaalsContact O-N 3.14Å
94	R	27.5	Very low	28.3	Very low	183 Å²	183	78.4 Å²	78.4	69%	0.691	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-80.2	-23.2	177.6	-67.2	-177.1	-176.4	-174.2	1	112.6	W91 I92 H96	W91-R94 WeakPolarHBondContact O-CB 3.48Å; W91-R94 PolarHBondContact O-N 2.81Å; I92-R94 PolarHBondContact O-N 2.82Å; R94-H96 VanDerWaalsContact C-N 3.3Å; R94-H96 PolarHBondContact O-N 3.26Å
95	F	30.3	Very low	28.3	Very low	101 Å²	101	80.1 Å²	80.1	44%	0.443	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-99.5	40.6	179.8	-75.4	-96.4	0	0	0	111.7	W91 I92	W91-F95 HydrophobicContact CD2-CD2 4.02Å; W91-F95 HydrophobicContact CD2-CE2 4.15Å; W91-F95 AromaticContact CE2-CD2 3.59Å; W91-F95 AromaticContact CE2-CE2 3.27Å; W91-F95 HydrophobicContact CE3-CD2 4.18Å; W91-F95 HydrophobicContact CH2-CD1 4.27Å; W91-F95 AromaticContact CH2-CD2 3.4Å; W91-F95 HydrophobicContact CH2-CD2 3.4Å; W91-F95 VanDerWaalsContact CH2-CD2 3.4Å; W91-F95 HydrophobicContact CH2-CE1 4.29Å; W91-F95 AromaticContact CH2-CE2 3.5Å; W91-F95 HydrophobicContact CH2-CE2 3.5Å; W91-F95 VanDerWaalsContact CH2-CE2 3.5Å; W91-F95 AromaticContact CH2-CG 3.85Å; W91-F95 HydrophobicContact CH2-CG 3.85Å; W91-F95 AromaticContact CH2-CZ 3.92Å; W91-F95 HydrophobicContact CH2-CZ 3.92Å; W91-F95 AromaticContact CZ2-CD2 3.25Å; W91-F95 HydrophobicContact CZ2-CD2 3.25Å; W91-F95 HydrophobicContact CZ2-CE1 4.18Å; W91-F95 AromaticContact CZ2-CE2 2.86Å; W91-F95 HydrophobicContact CZ2-CE2 2.86Å; W91-F95 HydrophobicContact CZ2-CG 4.1Å; W91-F95 AromaticContact CZ2-CZ 3.37Å; W91-F95 HydrophobicContact CZ2-CZ 3.37Å; W91-F95 AromaticContact CZ3-CD2 3.91Å; W91-F95 HydrophobicContact CZ3-CD2 3.91Å; W91-F95 HydrophobicContact CZ3-CE2 4.37Å; W91-F95 HydrophobicContact CZ3-CG 4.33Å; W91-F95 AromaticContact NE1-CE2 3.68Å; W91-F95 PolarHBondContact O-N 2.86Å; I92-F95 PolarHBondContact O-N 2.95Å
96	H	23.9	Very low	28.4	Very low	89 Å²	89	80.8 Å²	80.8	41%	0.412	48%	0.477	S	S	.	.			trans	-54.8	145.7	165	-159.7	-101.5	0	0	0	109.3	R94 D98 G99	R94-H96 VanDerWaalsContact C-N 3.3Å; R94-H96 PolarHBondContact O-N 3.26Å; H96-D98 IonicContact CE1-OD2 2.7Å; H96-D98 IonicContact ND1-OD2 2.72Å; H96-D98 PolarHBondContact ND1-OD2 3Å; H96-D98 PolarHBondContact O-N 3.43Å; H96-G99 PolarHBondContact O-N 3.49Å
97	P	31.3	Very low	28.7	Very low	111 Å²	111	80.7 Å²	80.7	72%	0.721	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-7.7	-171.3	-24.6	33.1	0	0	0	116.4	G99	P97-G99 PolarHBondContact O-N 3.29Å
98	D	29.8	Very low	28.6	Very low	123 Å²	123	81.5 Å²	81.5	66%	0.658	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-2.5	178.7	-55.5	-46.8	0	0	0	113.3	H96 N100	H96-D98 IonicContact CE1-OD2 2.7Å; H96-D98 IonicContact ND1-OD2 2.72Å; H96-D98 PolarHBondContact ND1-OD2 3Å; H96-D98 PolarHBondContact O-N 3.43Å; D98-N100 PolarHBondContact O-N 3.08Å
99	G	25.4	Very low	28.3	Very low	67 Å²	67	84.6 Å²	84.6	69%	0.691	49%	0.489	S	S	*	.			trans	58.7	-1.4	148.4	0	0	0	0	0	119.3	H96 P97	H96-G99 PolarHBondContact O-N 3.49Å; P97-G99 PolarHBondContact O-N 3.29Å
100	N	22.9	Very low	28.4	Very low	151 Å²	151	85.1 Å²	85.1	81%	0.807	49%	0.491	S	S	*	.			trans	-107.3	86.1	-178.3	-81.3	-29.9	0	0	0	109.3	D98 P102	D98-N100 PolarHBondContact O-N 3.08Å; N100-P102 WeakPolarHBondContact O-CD 3.33Å
101	V	26	Very low	28.4	Very low	77 Å²	77	84.5 Å²	84.5	47%	0.467	48%	0.484	S	S	.	.			trans	-103.8	105.8	160.9	-169.4	0	0	0	0	108.2	G103 I104	V101-G103 PolarHBondContact O-N 2.94Å; V101-I104 HydrophobicContact CB-CD1 3.8Å; V101-I104 HydrophobicContact CB-CG1 4.36Å; V101-I104 HydrophobicContact CG1-CD1 3.49Å; V101-I104 VanDerWaalsContact CG1-CD1 3.49Å; V101-I104 HydrophobicContact CG1-CG1 3.95Å
102	P	23.7	Very low	28.5	Very low	125 Å²	125	84.8 Å²	84.8	81%	0.812	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	131.3	178.6	-14.5	28.5	0	0	0	110.5	N100	N100-P102 WeakPolarHBondContact O-CD 3.33Å
103	G	24.7	Very low	28.8	Very low	80 Å²	80	83.1 Å²	83.1	83%	0.825	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.6	5.6	167.9	0	0	0	0	0	116.5	V101 S105	V101-G103 PolarHBondContact O-N 2.94Å; G103-S105 PolarHBondContact O-N 2.81Å
104	I	24.6	Very low	29.3	Very low	81 Å²	81	80.4 Å²	80.4	42%	0.415	47%	0.467	S	S	.	.			trans	-92.3	99.3	177.6	-53.3	-176.1	0	0	0	109.3	V101 S106 E109	V101-I104 HydrophobicContact CB-CD1 3.8Å; V101-I104 HydrophobicContact CB-CG1 4.36Å; V101-I104 HydrophobicContact CG1-CD1 3.49Å; V101-I104 VanDerWaalsContact CG1-CD1 3.49Å; V101-I104 HydrophobicContact CG1-CG1 3.95Å; I104-S106 PolarHBondContact O-N 2.9Å; I104-E109 VanDerWaalsContact CG2-OE2 3.26Å; I104-E109 WeakPolarHBondContact CG2-OE2 3.09Å
105	S	28	Very low	29.7	Very low	96 Å²	96	74 Å²	74	67%	0.671	45%	0.445	S	S	*	.			trans	-74	120.1	175	61.7	0	0	0	0	110.2	G103	G103-S105 PolarHBondContact O-N 2.81Å
106	S	31.6	Very low	30.2	Very low	81 Å²	81	70 Å²	70	57%	0.566	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	15.9	121	147.7	64	0	0	0	0	116.9	I104 H108	I104-S106 PolarHBondContact O-N 2.9Å; S106-H108 PolarHBondContact O-N 3.35Å
107	T	33.7	Very low	30.8	Very low	33 Å²	33	65.9 Å²	65.9	20%	0.202	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-28	149.7	75.9	0	0	0	0	122.4	I73 A75 K76	I73-T107 WeakPolarHBondContact O-CA 3.26Å; A75-T107 HydrophobicContact CB-CG2 4.16Å; A75-T107 WeakPolarHBondContact O-CB 3.18Å; A75-T107 VanDerWaalsContact O-CG2 3.27Å; A75-T107 WeakPolarHBondContact O-CG2 3.21Å; A75-T107 PolarHBondContact O-OG1 3.39Å; K76-T107 CarbonylContact C-O 3.6Å
108	H	30.5	Very low	31.2	Very low	97 Å²	97	60.8 Å²	60.8	45%	0.449	38%	0.376	S	S	.	.	H	α-helix	trans	-74	-45.6	-179.7	-165.6	71	0	0	0	113.8	K76 G77 V78 S106 N110	K76-H108 WeakPolarHBondContact O-CA 3.43Å; K76-H108 PolarHBondContact O-ND1 3.04Å; G77-H108 WeakPolarHBondContact CA-ND1 3.15Å; V78-H108 VanDerWaalsContact CB-CE1 3.41Å; V78-H108 WeakPolarHBondContact CB-CE1 3.32Å; S106-H108 PolarHBondContact O-N 3.35Å; H108-N110 VanDerWaalsContact C-N 3.3Å; H108-N110 PolarHBondContact O-N 2.85Å
109	E	29.6	Very low	31.5	Very low	84 Å²	84	57.5 Å²	57.5	39%	0.393	36%	0.359	S	S	.	.	H	α-helix	trans	-73.4	-26.3	-177.2	-65.5	-175	157.3	0	0	111.2	I104 L112 I113	I104-E109 VanDerWaalsContact CG2-OE2 3.26Å; I104-E109 WeakPolarHBondContact CG2-OE2 3.09Å; E109-L112 VanDerWaalsContact O-CB 3.31Å; E109-L112 WeakPolarHBondContact O-CB 3.23Å; E109-L112 PolarHBondContact O-N 2.91Å; E109-I113 HydrophobicContact CB-CD1 4.5Å; E109-I113 WeakPolarHBondContact O-CB 3.5Å; E109-I113 VanDerWaalsContact O-CD1 3.27Å; E109-I113 WeakPolarHBondContact O-CD1 3.42Å; E109-I113 WeakPolarHBondContact O-CG1 3.48Å; E109-I113 PolarHBondContact O-N 3.3Å
110	N	31	Very low	32	Very low	25 Å²	25	54.6 Å²	54.6	13%	0.134	33%	0.329	C	S	.	.	H	α-helix	trans	-72.3	-32	-175.6	-74.6	31.7	0	0	0	116.1	I73 F74 H108 I113 L114	I73-N110 WeakPolarHBondContact CB-ND2 3.21Å; I73-N110 WeakPolarHBondContact CG2-ND2 3.36Å; I73-N110 WeakPolarHBondContact O-CB 3.4Å; I73-N110 VanDerWaalsContact O-CG 3.27Å; I73-N110 PolarHBondContact O-ND2 3.4Å; F74-N110 HydrophobicContact CD2-CB 4.5Å; H108-N110 VanDerWaalsContact C-N 3.3Å; H108-N110 PolarHBondContact O-N 2.85Å; N110-I113 HydrophobicContact CB-CD1 4.08Å; N110-I113 WeakPolarHBondContact O-CB 3.27Å; N110-I113 WeakPolarHBondContact OD1-CD1 3.43Å; N110-L114 PolarHBondContact O-N 3.05Å
111	S	31.1	Very low	32.6	Very low	9 Å²	9	48 Å²	48	6%	0.063	30%	0.295	C	S	.	.	H	α-helix	trans	-66.6	-41.7	168.9	-69	0	0	0	0	111	F74 G77 I113 L114 Q115	F74-S111 PolarHBondContact O-OG 2.7Å; G77-S111 PolarHBondContact N-OG 3.22Å; G77-S111 WeakPolarHBondContact O-CB 3.42Å; S111-I113 VanDerWaalsContact C-N 3.34Å; S111-I113 PolarHBondContact O-N 3.05Å; S111-L114 PolarHBondContact O-N 3.36Å; S111-Q115 PolarHBondContact O-N 2.98Å
112	L	35.7	Very low	32.9	Very low	48 Å²	48	45.2 Å²	45.2	25%	0.251	28%	0.277	S	S	.	.	H	α-helix	trans	-62.1	-40.9	175.2	-169.5	79.6	0	0	0	111.5	E109 L114 Q115 Q116	E109-L112 VanDerWaalsContact O-CB 3.31Å; E109-L112 WeakPolarHBondContact O-CB 3.23Å; E109-L112 PolarHBondContact O-N 2.91Å; L112-L114 PolarHBondContact O-N 3.23Å; L112-Q115 PolarHBondContact O-N 2.79Å; L112-Q116 HydrophobicContact CG-CG 4.46Å; L112-Q116 VanDerWaalsContact O-CB 3.31Å; L112-Q116 WeakPolarHBondContact O-CB 3.36Å; L112-Q116 WeakPolarHBondContact O-CG 3.36Å; L112-Q116 PolarHBondContact O-N 2.84Å
113	I	36.2	Very low	33.3	Very low	10 Å²	10	42.1 Å²	42.1	5%	0.051	27%	0.268	C	S	.	.	H	α-helix	trans	-56.6	-45.9	177.1	-72.3	157.4	0	0	0	111.7	F65 W91 E109 N110 S111 Q116 S117	F65-I113 HydrophobicContact CE1-CG2 4.19Å; F65-I113 HydrophobicContact CZ-CG2 3.55Å; W91-I113 HydrophobicContact CD2-CG1 4.48Å; W91-I113 HydrophobicContact CH2-CB 4.28Å; W91-I113 HydrophobicContact CH2-CD1 3.34Å; W91-I113 HydrophobicContact CH2-CG1 3.39Å; W91-I113 HydrophobicContact CH2-CG2 3.8Å; W91-I113 HydrophobicContact CZ2-CD1 3.19Å; W91-I113 HydrophobicContact CZ2-CG1 3.23Å; W91-I113 HydrophobicContact CZ2-CG2 4.49Å; W91-I113 HydrophobicContact CZ3-CD1 4.4Å; W91-I113 HydrophobicContact CZ3-CG1 4.05Å; W91-I113 HydrophobicContact CZ3-CG2 3.88Å; E109-I113 HydrophobicContact CB-CD1 4.5Å; E109-I113 WeakPolarHBondContact O-CB 3.5Å; E109-I113 VanDerWaalsContact O-CD1 3.27Å; E109-I113 WeakPolarHBondContact O-CD1 3.42Å; E109-I113 WeakPolarHBondContact O-CG1 3.48Å; E109-I113 PolarHBondContact O-N 3.3Å; N110-I113 HydrophobicContact CB-CD1 4.08Å; N110-I113 WeakPolarHBondContact O-CB 3.27Å; N110-I113 WeakPolarHBondContact OD1-CD1 3.43Å; S111-I113 VanDerWaalsContact C-N 3.34Å; S111-I113 PolarHBondContact O-N 3.05Å; I113-Q116 PolarHBondContact O-N 3.11Å; I113-S117 WeakPolarHBondContact O-CB 3.36Å; I113-S117 PolarHBondContact O-N 3.27Å; I113-S117 PolarHBondContact O-OG 2.86Å
114	L	37.9	Very low	33.7	Very low	18 Å²	18	39.6 Å²	39.6	9%	0.094	24%	0.236	C	C	.	.	H	α-helix	trans	-72.7	-41	-176.7	-134	169.4	0	0	0	111.5	F74 N110 S111 L112 Q116 S117 A118	F74-L114 HydrophobicContact CD1-CD1 3.79Å; F74-L114 HydrophobicContact CE1-CD1 3.43Å; F74-L114 VanDerWaalsContact CE1-CD1 3.43Å; F74-L114 HydrophobicContact CE1-CG 4.39Å; N110-L114 PolarHBondContact O-N 3.05Å; S111-L114 PolarHBondContact O-N 3.36Å; L112-L114 PolarHBondContact O-N 3.23Å; L114-Q116 VanDerWaalsContact C-N 3.33Å; L114-S117 PolarHBondContact O-N 2.75Å; L114-A118 VanDerWaalsContact O-CB 3.31Å; L114-A118 WeakPolarHBondContact O-CB 3.19Å; L114-A118 PolarHBondContact O-N 3.21Å
115	Q	36.8	Very low	34.1	Very low	48 Å²	48	36.2 Å²	36.2	22%	0.224	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-41.3	173.2	-171.7	174.3	18.3	0	0	110.7	S111 L112 N119	S111-Q115 PolarHBondContact O-N 2.98Å; L112-Q115 PolarHBondContact O-N 2.79Å; Q115-N119 WeakPolarHBondContact O-CA 3.37Å; Q115-N119 WeakPolarHBondContact O-CB 3.31Å; Q115-N119 PolarHBondContact O-N 3.33Å; Q115-N119 PolarHBondContact O-ND2 2.91Å; Q115-N119 PolarHBondContact O-OD1 2.95Å
116	Q	39.4	Very low	34.6	Very low	18 Å²	18	33.9 Å²	33.9	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-41.7	173.5	-76.3	173.4	2.3	0	0	112.3	T82 L112 I113 L114 N119 A120	T82-Q116 VanDerWaalsContact OG1-CG 3.3Å; T82-Q116 WeakPolarHBondContact OG1-CG 3.4Å; T82-Q116 PolarHBondContact OG1-NE2 2.8Å; L112-Q116 HydrophobicContact CG-CG 4.46Å; L112-Q116 VanDerWaalsContact O-CB 3.31Å; L112-Q116 WeakPolarHBondContact O-CB 3.36Å; L112-Q116 WeakPolarHBondContact O-CG 3.36Å; L112-Q116 PolarHBondContact O-N 2.84Å; I113-Q116 PolarHBondContact O-N 3.11Å; L114-Q116 VanDerWaalsContact C-N 3.33Å; Q116-N119 CarbonylContact O-C 3.44Å; Q116-N119 PolarHBondContact O-N 3.29Å; Q116-A120 WeakPolarHBondContact O-CA 3.39Å; Q116-A120 WeakPolarHBondContact O-CB 3.05Å; Q116-A120 PolarHBondContact O-N 3.39Å
117	S	37.7	Very low	35	Very low	1 Å²	1	36.9 Å²	36.9	1%	0.007	20%	0.202	C	C	.	.	H	α-helix	trans	-66.2	-43.5	177.2	-67.5	0	0	0	0	112.2	F65 F88 I113 L114 A120 A121	F65-S117 WeakPolarHBondContact CE2-OG 3.22Å; F65-S117 WeakPolarHBondContact CZ-OG 3.05Å; F88-S117 WeakPolarHBondContact CE2-OG 3.47Å; I113-S117 WeakPolarHBondContact O-CB 3.36Å; I113-S117 PolarHBondContact O-N 3.27Å; I113-S117 PolarHBondContact O-OG 2.86Å; L114-S117 PolarHBondContact O-N 2.75Å; S117-A120 PolarHBondContact O-N 3.06Å; S117-A121 VanDerWaalsContact O-CB 3.31Å; S117-A121 WeakPolarHBondContact O-CB 3.49Å; S117-A121 PolarHBondContact O-N 2.83Å
118	A	38.8	Very low	35.4	Very low	5 Å²	5	37.2 Å²	37.2	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-50.2	173.4	0	0	0	0	0	109.7	L114 A120 A121 I122 A169 I173	L114-A118 VanDerWaalsContact O-CB 3.31Å; L114-A118 WeakPolarHBondContact O-CB 3.19Å; L114-A118 PolarHBondContact O-N 3.21Å; A118-A120 PolarHBondContact O-N 3.42Å; A118-A121 PolarHBondContact O-N 3.34Å; A118-I122 WeakPolarHBondContact O-CB 3.34Å; A118-I122 WeakPolarHBondContact O-CD1 3.31Å; A118-I122 WeakPolarHBondContact O-CG1 3.36Å; A118-I122 PolarHBondContact O-N 3.45Å; A118-A169 HydrophobicContact CB-CB 4.35Å; A118-I173 HydrophobicContact CB-CD1 4.23Å
119	N	36.7	Very low	35.9	Very low	53 Å²	53	33 Å²	33	28%	0.283	18%	0.182	S	C	.	.	H	α-helix	trans	-62.4	-28.2	177.1	-71.1	-6.5	0	0	0	112.9	Q115 Q116 I122 G123	Q115-N119 WeakPolarHBondContact O-CA 3.37Å; Q115-N119 WeakPolarHBondContact O-CB 3.31Å; Q115-N119 PolarHBondContact O-N 3.33Å; Q115-N119 PolarHBondContact O-ND2 2.91Å; Q115-N119 PolarHBondContact O-OD1 2.95Å; Q116-N119 CarbonylContact O-C 3.44Å; Q116-N119 PolarHBondContact O-N 3.29Å; N119-I122 CarbonylContact O-C 3.6Å; N119-G123 WeakPolarHBondContact O-CA 3.22Å; N119-G123 PolarHBondContact O-N 3.45Å
120	A	35.1	Very low	36.4	Very low	7 Å²	7	29 Å²	29	6%	0.058	16%	0.163	C	C	.	.	H	α-helix	trans	-79.9	-43	175.4	0	0	0	0	0	111.5	L85 F88 Q116 S117 A118 I122 G123 V124	L85-A120 HydrophobicContact CD1-CB 3.87Å; F88-A120 HydrophobicContact CB-CB 4.02Å; F88-A120 HydrophobicContact CD1-CB 3.78Å; F88-A120 HydrophobicContact CD2-CB 4.04Å; F88-A120 HydrophobicContact CE1-CB 4.23Å; F88-A120 HydrophobicContact CE2-CB 4.49Å; F88-A120 HydrophobicContact CG-CB 3.67Å; Q116-A120 WeakPolarHBondContact O-CA 3.39Å; Q116-A120 WeakPolarHBondContact O-CB 3.05Å; Q116-A120 PolarHBondContact O-N 3.39Å; S117-A120 PolarHBondContact O-N 3.06Å; A118-A120 PolarHBondContact O-N 3.42Å; A120-I122 PolarHBondContact O-N 3.28Å; A120-G123 PolarHBondContact O-N 3.43Å; A120-V124 WeakPolarHBondContact O-CG2 3.06Å; A120-V124 PolarHBondContact O-N 3.45Å
121	A	35.9	Very low	36.8	Very low	12 Å²	12	30.1 Å²	30.1	10%	0.099	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-36.5	170.8	0	0	0	0	0	111.1	V58 S117 A118 L125	V58-A121 HydrophobicContact CG1-CB 4.13Å; S117-A121 VanDerWaalsContact O-CB 3.31Å; S117-A121 WeakPolarHBondContact O-CB 3.49Å; S117-A121 PolarHBondContact O-N 2.83Å; A118-A121 PolarHBondContact O-N 3.34Å; A121-L125 WeakPolarHBondContact O-CG 3.43Å
122	I	33.1	Very low	37.2	Very low	19 Å²	19	30 Å²	30	10%	0.097	17%	0.171	C	C	.	.	H	α-helix	trans	-69.5	-42.2	168.5	-75.6	159.3	0	0	0	111.9	A118 N119 A120 V124 L125 P165 A169	A118-I122 WeakPolarHBondContact O-CB 3.34Å; A118-I122 WeakPolarHBondContact O-CD1 3.31Å; A118-I122 WeakPolarHBondContact O-CG1 3.36Å; A118-I122 PolarHBondContact O-N 3.45Å; N119-I122 CarbonylContact O-C 3.6Å; A120-I122 PolarHBondContact O-N 3.28Å; I122-V124 PolarHBondContact O-N 3.2Å; I122-L125 CarbonylContact O-C 3.58Å; I122-L125 VanDerWaalsContact O-C 3.23Å; I122-L125 VanDerWaalsContact O-CA 3.25Å; I122-L125 WeakPolarHBondContact O-CA 2.87Å; I122-L125 WeakPolarHBondContact O-CB 3.47Å; I122-L125 PolarHBondContact O-N 3Å; I122-P165 HydrophobicContact CB-CB 4.27Å; I122-P165 HydrophobicContact CD1-CB 4.33Å; I122-P165 WeakPolarHBondContact CD1-O 3.41Å; I122-P165 HydrophobicContact CG1-CB 4.13Å; I122-P165 WeakPolarHBondContact CG1-O 3.25Å; I122-P165 HydrophobicContact CG2-CB 3.24Å; I122-P165 HydrophobicContact CG2-CG 4.32Å; I122-A169 HydrophobicContact CD1-CB 3.45Å; I122-A169 VanDerWaalsContact CD1-CB 3.45Å; I122-A169 HydrophobicContact CG1-CB 3.71Å
123	G	31.3	Very low	37.5	Very low	60 Å²	60	28 Å²	28	62%	0.619	16%	0.16	S	C	*	.	H	α-helix	trans	-67.2	-20.7	-177.4	0	0	0	0	0	112.9	N119 A120 L125	N119-G123 WeakPolarHBondContact O-CA 3.22Å; N119-G123 PolarHBondContact O-N 3.45Å; A120-G123 PolarHBondContact O-N 3.43Å; G123-L125 VanDerWaalsContact C-N 3.32Å
124	V	33.1	Very low	37.7	Very low	26 Å²	26	29 Å²	29	16%	0.158	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-25.1	167.3	174.9	0	0	0	0	111.6	A120 I122 Q129	A120-V124 WeakPolarHBondContact O-CG2 3.06Å; A120-V124 PolarHBondContact O-N 3.45Å; I122-V124 PolarHBondContact O-N 3.2Å; V124-Q129 PolarHBondContact O-OE1 3.36Å
125	L	33.5	Very low	37.6	Very low	11 Å²	11	29.9 Å²	29.9	6%	0.058	17%	0.17	C	C	.	.	S	Bend	trans	-97.5	108.7	177.9	-64	168.5	0	0	0	109.9	T54 V58 A121 I122 G123 Q129 V130 L133	T54-L125 HydrophobicContact CG2-CD2 3.48Å; T54-L125 VanDerWaalsContact CG2-CD2 3.48Å; V58-L125 HydrophobicContact CG2-CD1 4.34Å; A121-L125 WeakPolarHBondContact O-CG 3.43Å; I122-L125 CarbonylContact O-C 3.58Å; I122-L125 VanDerWaalsContact O-C 3.23Å; I122-L125 VanDerWaalsContact O-CA 3.25Å; I122-L125 WeakPolarHBondContact O-CA 2.87Å; I122-L125 WeakPolarHBondContact O-CB 3.47Å; I122-L125 PolarHBondContact O-N 3Å; G123-L125 VanDerWaalsContact C-N 3.32Å; L125-Q129 VanDerWaalsContact CA-OE1 3.24Å; L125-Q129 HydrophobicContact CB-CB 4.19Å; L125-Q129 HydrophobicContact CD2-CB 3.85Å; L125-V130 HydrophobicContact CB-CG2 3.78Å; L125-L133 HydrophobicContact CD1-CD1 3.51Å; L125-L133 HydrophobicContact CD2-CD1 3.74Å; L125-L133 HydrophobicContact CG-CD1 4.26Å
126	D	38.7	Very low	37.6	Very low	46 Å²	46	28.5 Å²	28.5	25%	0.246	16%	0.164	C	C	.	.			trans	-57.8	157.2	169.7	72.2	44.5	0	0	0	110.3	Q128 Q129 V130	D126-Q128 PolarHBondContact O-N 2.93Å; D126-Q128 VanDerWaalsContact OD1-CA 3.24Å; D126-Q128 WeakPolarHBondContact OD1-CA 3.5Å; D126-Q128 WeakPolarHBondContact OD1-CB 3.4Å; D126-Q128 PolarHBondContact OD1-N 3.31Å; D126-Q129 WeakPolarHBondContact O-CB 3.1Å; D126-Q129 PolarHBondContact O-N 2.84Å; D126-Q129 WeakPolarHBondContact OD1-CG 3.43Å; D126-Q129 PolarHBondContact OD1-N 3.35Å; D126-V130 PolarHBondContact O-N 2.77Å
127	K	40	Very low	37.5	Very low	144 Å²	144	31.2 Å²	31.2	63%	0.626	18%	0.177	S	C	*	.	H	α-helix	trans	-50.1	-26.5	-179.3	-176.3	174.3	-179.9	173	0	112.4	V131	K127-V131 VanDerWaalsContact O-CG2 3.24Å; K127-V131 WeakPolarHBondContact O-CG2 3.45Å; K127-V131 PolarHBondContact O-N 3.26Å; K127-V131 VanDerWaalsContact O-N 3.07Å
128	Q	40.6	Very low	37.6	Very low	40 Å²	40	32.9 Å²	32.9	19%	0.187	19%	0.187	C	C	.	.	H	α-helix	trans	-83.7	-34.2	-179.1	-58.3	-179.6	-23.1	0	0	113	A38 I43 D126 V130 V131 A132	A38-Q128 VanDerWaalsContact O-CD 3.28Å; A38-Q128 PolarHBondContact O-NE2 2.93Å; A38-Q128 PolarHBondContact O-OE1 3.45Å; A38-Q128 VanDerWaalsContact O-OE1 3.12Å; I43-Q128 HydrophobicContact CD1-CB 3.46Å; I43-Q128 VanDerWaalsContact CD1-CB 3.46Å; I43-Q128 HydrophobicContact CD1-CG 3.48Å; I43-Q128 VanDerWaalsContact CD1-CG 3.48Å; I43-Q128 HydrophobicContact CG1-CB 3.57Å; I43-Q128 HydrophobicContact CG1-CG 3.88Å; I43-Q128 HydrophobicContact CG2-CB 4.39Å; D126-Q128 PolarHBondContact O-N 2.93Å; D126-Q128 VanDerWaalsContact OD1-CA 3.24Å; D126-Q128 WeakPolarHBondContact OD1-CA 3.5Å; D126-Q128 WeakPolarHBondContact OD1-CB 3.4Å; D126-Q128 PolarHBondContact OD1-N 3.31Å; Q128-V130 VanDerWaalsContact C-N 3.32Å; Q128-V131 PolarHBondContact O-N 3.28Å; Q128-A132 VanDerWaalsContact O-CB 3.31Å; Q128-A132 WeakPolarHBondContact O-CB 3.06Å; Q128-A132 PolarHBondContact O-N 2.86Å
129	Q	41	Very low	37.4	Very low	10 Å²	10	36 Å²	36	5%	0.047	20%	0.201	C	C	.	.	H	α-helix	trans	-66.9	-36.2	169.6	-67.1	174.1	-48.8	0	0	111	L46 V124 L125 D126 A132 L133	L46-Q129 HydrophobicContact CD1-CG 4.01Å; V124-Q129 PolarHBondContact O-OE1 3.36Å; L125-Q129 VanDerWaalsContact CA-OE1 3.24Å; L125-Q129 HydrophobicContact CB-CB 4.19Å; L125-Q129 HydrophobicContact CD2-CB 3.85Å; D126-Q129 WeakPolarHBondContact O-CB 3.1Å; D126-Q129 PolarHBondContact O-N 2.84Å; D126-Q129 WeakPolarHBondContact OD1-CG 3.43Å; D126-Q129 PolarHBondContact OD1-N 3.35Å; Q129-A132 PolarHBondContact O-N 3.41Å; Q129-L133 WeakPolarHBondContact O-CB 3.38Å; Q129-L133 WeakPolarHBondContact O-CG 2.79Å; Q129-L133 PolarHBondContact O-N 2.97Å
130	V	41	Very low	37.4	Very low	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-48.4	170.1	171.3	0	0	0	0	110.8	L125 D126 Q128 A132 L133 Q134 P165 F168	L125-V130 HydrophobicContact CB-CG2 3.78Å; D126-V130 PolarHBondContact O-N 2.77Å; Q128-V130 VanDerWaalsContact C-N 3.32Å; V130-A132 VanDerWaalsContact C-N 3.31Å; V130-A132 PolarHBondContact O-N 2.72Å; V130-L133 PolarHBondContact O-N 3.46Å; V130-Q134 WeakPolarHBondContact O-CB 3.23Å; V130-Q134 VanDerWaalsContact O-CG 3.25Å; V130-Q134 WeakPolarHBondContact O-CG 3.2Å; V130-Q134 PolarHBondContact O-N 3.12Å; V130-P165 HydrophobicContact CB-CB 4.44Å; V130-P165 HydrophobicContact CB-CG 4.28Å; V130-P165 HydrophobicContact CG1-CB 4.06Å; V130-P165 HydrophobicContact CG1-CG 4.01Å; V130-P165 HydrophobicContact CG2-CB 3.79Å; V130-P165 HydrophobicContact CG2-CG 3.95Å; V130-F168 HydrophobicContact CG1-CB 3.93Å; V130-F168 HydrophobicContact CG1-CD1 4.33Å; V130-F168 HydrophobicContact CG1-CG 4.22Å
131	V	40.1	Very low	37.6	Very low	47 Å²	47	36.5 Å²	36.5	29%	0.285	20%	0.203	S	C	.	.	H	α-helix	trans	-59.8	-43.6	174.1	168.4	0	0	0	0	110.8	K127 Q128 L133 Q134 T135 S162	K127-V131 VanDerWaalsContact O-CG2 3.24Å; K127-V131 WeakPolarHBondContact O-CG2 3.45Å; K127-V131 PolarHBondContact O-N 3.26Å; K127-V131 VanDerWaalsContact O-N 3.07Å; Q128-V131 PolarHBondContact O-N 3.28Å; V131-L133 PolarHBondContact O-N 2.86Å; V131-Q134 WeakPolarHBondContact O-CB 3.44Å; V131-Q134 PolarHBondContact O-N 3.38Å; V131-T135 HydrophobicContact CG1-CG2 4.47Å; V131-T135 WeakPolarHBondContact O-CG2 3.25Å; V131-T135 PolarHBondContact O-N 2.89Å; V131-S162 WeakPolarHBondContact CG2-OG 3.17Å
132	A	39.3	Very low	37.7	Very low	8 Å²	8	37 Å²	37	7%	0.066	21%	0.205	C	C	.	.	H	α-helix	trans	-59.6	-48.4	177.1	0	0	0	0	0	110.4	I51 Q128 Q129 V130 Q134 T135 L136	I51-A132 HydrophobicContact CD1-CB 3.98Å; I51-A132 HydrophobicContact CG2-CB 4.33Å; Q128-A132 VanDerWaalsContact O-CB 3.31Å; Q128-A132 WeakPolarHBondContact O-CB 3.06Å; Q128-A132 PolarHBondContact O-N 2.86Å; Q129-A132 PolarHBondContact O-N 3.41Å; V130-A132 VanDerWaalsContact C-N 3.31Å; V130-A132 PolarHBondContact O-N 2.72Å; A132-Q134 VanDerWaalsContact C-N 3.33Å; A132-Q134 PolarHBondContact O-N 3.35Å; A132-T135 WeakPolarHBondContact CA-OG1 3.4Å; A132-T135 CarbonylContact O-C 3.23Å; A132-T135 WeakPolarHBondContact O-CA 3.49Å; A132-T135 WeakPolarHBondContact O-CB 3.44Å; A132-T135 PolarHBondContact O-N 3.42Å; A132-T135 PolarHBondContact O-OG1 3.45Å; A132-L136 WeakPolarHBondContact O-CG 3.32Å; A132-L136 PolarHBondContact O-N 2.77Å
133	L	41.2	Very low	37.8	Very low	5 Å²	5	38.2 Å²	38.2	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-34.6	175.4	-71.5	165.1	0	0	0	113.3	I51 A55 L125 Q129 V130 V131 T135 L136 F168	I51-L133 HydrophobicContact CG2-CD2 3.81Å; I51-L133 HydrophobicContact CG2-CG 4.03Å; A55-L133 HydrophobicContact CB-CD2 3.45Å; A55-L133 VanDerWaalsContact CB-CD2 3.45Å; L125-L133 HydrophobicContact CD1-CD1 3.51Å; L125-L133 HydrophobicContact CD2-CD1 3.74Å; L125-L133 HydrophobicContact CG-CD1 4.26Å; Q129-L133 WeakPolarHBondContact O-CB 3.38Å; Q129-L133 WeakPolarHBondContact O-CG 2.79Å; Q129-L133 PolarHBondContact O-N 2.97Å; V130-L133 PolarHBondContact O-N 3.46Å; V131-L133 PolarHBondContact O-N 2.86Å; L133-T135 VanDerWaalsContact C-N 3.31Å; L133-L136 HydrophobicContact CD2-CD1 4.28Å; L133-L136 CarbonylContact O-C 3.42Å; L133-L136 WeakPolarHBondContact O-CA 3.33Å; L133-L136 WeakPolarHBondContact O-CB 3.43Å; L133-L136 PolarHBondContact O-N 2.96Å; L133-F168 HydrophobicContact CB-CD1 4.49Å; L133-F168 HydrophobicContact CB-CE1 3.58Å; L133-F168 HydrophobicContact CB-CE2 4.22Å; L133-F168 HydrophobicContact CB-CZ 3.43Å; L133-F168 VanDerWaalsContact CB-CZ 3.43Å; L133-F168 HydrophobicContact CD1-CE1 3.96Å; L133-F168 HydrophobicContact CG-CE1 4.35Å; L133-F168 HydrophobicContact CG-CZ 4.48Å
134	Q	39.7	Very low	38.4	Very low	30 Å²	30	39.2 Å²	39.2	14%	0.14	20%	0.2	C	C	.	.	H	α-helix	trans	-67.1	-33	171.1	-72.5	165.7	2.5	0	0	112.2	V130 V131 A132 L136 T157 S162 L163 F168	V130-Q134 WeakPolarHBondContact O-CB 3.23Å; V130-Q134 VanDerWaalsContact O-CG 3.25Å; V130-Q134 WeakPolarHBondContact O-CG 3.2Å; V130-Q134 PolarHBondContact O-N 3.12Å; V131-Q134 WeakPolarHBondContact O-CB 3.44Å; V131-Q134 PolarHBondContact O-N 3.38Å; A132-Q134 VanDerWaalsContact C-N 3.33Å; A132-Q134 PolarHBondContact O-N 3.35Å; Q134-L136 PolarHBondContact O-N 3.22Å; Q134-T157 PolarHBondContact O-OG1 3.07Å; Q134-S162 VanDerWaalsContact OE1-CA 3.26Å; Q134-L163 VanDerWaalsContact NE2-N 3.18Å; Q134-L163 PolarHBondContact NE2-O 2.67Å; Q134-F168 HydrophobicContact CB-CD2 4.34Å; Q134-F168 HydrophobicContact CB-CE2 4.5Å; Q134-F168 HydrophobicContact CG-CB 4.21Å; Q134-F168 HydrophobicContact CG-CD2 3.28Å; Q134-F168 HydrophobicContact CG-CE2 3.86Å; Q134-F168 HydrophobicContact CG-CG 3.86Å
135	T	36.4	Very low	39.3	Very low	37 Å²	37	43.7 Å²	43.7	23%	0.227	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-9	170.4	67.3	0	0	0	0	112.7	V131 A132 L133 R155 P156 T157	V131-T135 HydrophobicContact CG1-CG2 4.47Å; V131-T135 WeakPolarHBondContact O-CG2 3.25Å; V131-T135 PolarHBondContact O-N 2.89Å; A132-T135 WeakPolarHBondContact CA-OG1 3.4Å; A132-T135 CarbonylContact O-C 3.23Å; A132-T135 WeakPolarHBondContact O-CA 3.49Å; A132-T135 WeakPolarHBondContact O-CB 3.44Å; A132-T135 PolarHBondContact O-N 3.42Å; A132-T135 PolarHBondContact O-OG1 3.45Å; L133-T135 VanDerWaalsContact C-N 3.31Å; T135-R155 CarbonylContact O-C 3.5Å; T135-P156 WeakPolarHBondContact O-CA 3.44Å; T135-T157 VanDerWaalsContact CA-OG1 3.24Å; T135-T157 WeakPolarHBondContact CA-OG1 3.48Å; T135-T157 PolarHBondContact O-N 3.44Å; T135-T157 PolarHBondContact O-OG1 3.39Å
136	L	36.7	Very low	39.8	Very low	19 Å²	19	49.5 Å²	49.5	10%	0.099	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-96.3	105.8	170.9	-60.1	-176.8	0	0	0	107.3	I51 V52 A132 L133 Q134 V138 V154	I51-L136 HydrophobicContact CB-CD1 4.42Å; I51-L136 HydrophobicContact CG2-CD1 3.56Å; V52-L136 HydrophobicContact CG2-CD1 4.21Å; A132-L136 WeakPolarHBondContact O-CG 3.32Å; A132-L136 PolarHBondContact O-N 2.77Å; L133-L136 HydrophobicContact CD2-CD1 4.28Å; L133-L136 CarbonylContact O-C 3.42Å; L133-L136 WeakPolarHBondContact O-CA 3.33Å; L133-L136 WeakPolarHBondContact O-CB 3.43Å; L133-L136 PolarHBondContact O-N 2.96Å; Q134-L136 PolarHBondContact O-N 3.22Å; L136-V138 VanDerWaalsContact C-N 3.25Å; L136-V138 PolarHBondContact O-N 3.45Å; L136-V154 HydrophobicContact CD2-CB 3.9Å; L136-V154 HydrophobicContact CD2-CG1 3.18Å; L136-V154 HydrophobicContact CD2-CG2 3.81Å
137	E	37.2	Very low	39.8	Very low	75 Å²	75	51 Å²	51	35%	0.35	27%	0.27	S	S	.	.			trans	-60.8	90.3	168.5	-141.5	-174.1	165.3	0	0	108.8	Q139 N153	E137-Q139 HydrophobicContact CB-CG 4.01Å; E137-Q139 HydrophobicContact CG-CG 3.65Å; E137-Q139 PolarHBondContact O-N 3.33Å; E137-Q139 PolarHBondContact OE1-NE2 3.26Å; E137-Q139 PolarHBondContact OE2-NE2 3.21Å; E137-N153 VanDerWaalsContact O-O 3.07Å
138	V	39.6	Very low	39.7	Very low	37 Å²	37	44.9 Å²	44.9	22%	0.224	25%	0.245	C	C	.	.			trans	-73.9	70.4	173.4	-173.3	0	0	0	0	107	L136 N140 L141 I150	L136-V138 VanDerWaalsContact C-N 3.25Å; L136-V138 PolarHBondContact O-N 3.45Å; V138-N140 PolarHBondContact O-N 3.11Å; V138-L141 HydrophobicContact CG1-CD1 4.25Å; V138-L141 HydrophobicContact CG1-CG 4.03Å; V138-I150 HydrophobicContact CG1-CG2 4.02Å
139	Q	35.5	Very low	39.6	Very low	69 Å²	69	47.1 Å²	47.1	32%	0.322	25%	0.254	S	S	.	.			trans	-65.8	-22.5	-173.6	-73.2	-174	-28.1	0	0	112.3	E137 N153 Q179	E137-Q139 HydrophobicContact CB-CG 4.01Å; E137-Q139 HydrophobicContact CG-CG 3.65Å; E137-Q139 PolarHBondContact O-N 3.33Å; E137-Q139 PolarHBondContact OE1-NE2 3.26Å; E137-Q139 PolarHBondContact OE2-NE2 3.21Å; Q139-N153 PolarHBondContact OE1-ND2 3.42Å; Q139-N153 VanDerWaalsContact OE1-ND2 3.12Å; Q139-Q179 PolarHBondContact O-NE2 3.26Å; Q139-Q179 VanDerWaalsContact O-NE2 3.15Å
140	N	36.9	Very low	39.5	Very low	66 Å²	66	47.8 Å²	47.8	35%	0.353	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	95.1	-168.6	-66.5	-61.7	0	0	0	111.7	V138 K151	V138-N140 PolarHBondContact O-N 3.11Å; N140-K151 HydrophobicContact CB-CB 3.66Å; N140-K151 PolarHBondContact O-N 3.3Å
141	L	38.2	Very low	39.4	Very low	5 Å²	5	54.1 Å²	54.1	3%	0.026	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	120.7	152.3	-70	149.7	0	0	0	106.4	A59 V138 V148 I150 T172 Y176 Q179	A59-L141 HydrophobicContact CB-CD2 3.48Å; A59-L141 VanDerWaalsContact CB-CD2 3.48Å; V138-L141 HydrophobicContact CG1-CD1 4.25Å; V138-L141 HydrophobicContact CG1-CG 4.03Å; L141-V148 HydrophobicContact CD2-CG1 3.67Å; L141-I150 HydrophobicContact CD2-CD1 3.87Å; L141-I150 HydrophobicContact CD2-CG1 3.61Å; L141-T172 HydrophobicContact CD1-CG2 4.12Å; L141-Y176 HydrophobicContact CB-CD2 3.97Å; L141-Y176 HydrophobicContact CD1-CD2 4.3Å; L141-Q179 VanDerWaalsContact CB-OE1 3.22Å; L141-Q179 WeakPolarHBondContact O-CB 3.23Å; L141-Q179 PolarHBondContact O-OE1 2.88Å
142	C	38.7	Very low	39.1	Very low	22 Å²	22	53.3 Å²	53.3	15%	0.149	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.8	173.3	59.2	0	0	0	0	110.2	K149	C142-K149 PolarHBondContact N-O 2.83Å; C142-K149 PolarHBondContact O-N 2.95Å
143	L	35.1	Very low	38.7	Very low	45 Å²	45	57 Å²	57	24%	0.236	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	123.6	168.7	-162.5	83.4	0	0	0	107.8	Y63 V148	Y63-L143 HydrophobicContact CD2-CD1 4.37Å; Y63-L143 HydrophobicContact CE1-CD1 3.95Å; Y63-L143 HydrophobicContact CE2-CD1 3.63Å; Y63-L143 WeakPolarHBondContact OH-CD1 3.49Å; L143-V148 HydrophobicContact CD1-CG2 4.47Å
144	E	44.8	Very low	38.2	Very low	82 Å²	82	60.3 Å²	60.3	38%	0.383	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	114.2	169.8	-162.1	179.6	139.6	0	0	108.3	D146 T147 K149	E144-D146 PolarHBondContact O-N 2.93Å; E144-T147 PolarHBondContact N-O 3.38Å; E144-T147 PolarHBondContact O-N 2.76Å; E144-T147 PolarHBondContact O-OG1 2.98Å; E144-K149 HydrophobicContact CB-CD 4.12Å; E144-K149 HydrophobicContact CB-CG 4.14Å; E144-K149 VanDerWaalsContact CD-CE 3.46Å; E144-K149 IonicContact OE1-NZ 3.47Å; E144-K149 PolarHBondContact OE1-NZ 3.13Å; E144-K149 WeakPolarHBondContact OE2-CD 3.27Å; E144-K149 WeakPolarHBondContact OE2-CE 3.5Å; E144-K149 IonicContact OE2-NZ 2.78Å; E144-K149 PolarHBondContact OE2-NZ 3.37Å
145	T	50.4	Low	37.7	Very low	120 Å²	120	66.4 Å²	66.4	74%	0.736	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.3	60	175.1	53.2	0	0	0	0	112.1	T147	T145-T147 VanDerWaalsContact C-N 3.27Å; T145-T147 PolarHBondContact O-N 2.96Å
146	D	44.1	Very low	37.4	Very low	133 Å²	133	69.9 Å²	69.9	71%	0.711	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	2.4	178.7	-48	-39.4	0	0	0	117.3	E144	E144-D146 PolarHBondContact O-N 2.93Å
147	T	38.7	Very low	37.3	Very low	76 Å²	76	72.4 Å²	72.4	47%	0.466	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139.2	175.7	59	0	0	0	0	112	E144 T145 K149	E144-T147 PolarHBondContact N-O 3.38Å; E144-T147 PolarHBondContact O-N 2.76Å; E144-T147 PolarHBondContact O-OG1 2.98Å; T145-T147 VanDerWaalsContact C-N 3.27Å; T145-T147 PolarHBondContact O-N 2.96Å; T147-K149 PolarHBondContact O-N 3.4Å
148	V	38.1	Very low	37.2	Very low	17 Å²	17	72.4 Å²	72.4	10%	0.103	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	113.9	172.1	-178.8	0	0	0	0	108.3	A59 Y63 L141 L143 Y176	A59-V148 HydrophobicContact CB-CG1 4.24Å; Y63-V148 HydrophobicContact CD1-CG2 3.61Å; Y63-V148 HydrophobicContact CD2-CG2 4.35Å; Y63-V148 HydrophobicContact CE1-CG2 4.37Å; Y63-V148 HydrophobicContact CG-CG2 3.57Å; L141-V148 HydrophobicContact CD2-CG1 3.67Å; L143-V148 HydrophobicContact CD1-CG2 4.47Å; V148-Y176 HydrophobicContact CG2-CE2 4.49Å
149	K	39.6	Very low	37	Very low	87 Å²	87	75.3 Å²	75.3	38%	0.378	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.6	167	-67.5	-159.1	-167.6	167.6	0	109.8	C142 E144 T147	C142-K149 PolarHBondContact N-O 2.83Å; C142-K149 PolarHBondContact O-N 2.95Å; E144-K149 HydrophobicContact CB-CD 4.12Å; E144-K149 HydrophobicContact CB-CG 4.14Å; E144-K149 VanDerWaalsContact CD-CE 3.46Å; E144-K149 IonicContact OE1-NZ 3.47Å; E144-K149 PolarHBondContact OE1-NZ 3.13Å; E144-K149 WeakPolarHBondContact OE2-CD 3.27Å; E144-K149 WeakPolarHBondContact OE2-CE 3.5Å; E144-K149 IonicContact OE2-NZ 2.78Å; E144-K149 PolarHBondContact OE2-NZ 3.37Å; T147-K149 PolarHBondContact O-N 3.4Å
150	I	39	Very low	37	Very low	24 Å²	24	77.7 Å²	77.7	12%	0.123	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	111.3	167	-54.8	-164.2	0	0	0	108	A55 K56 A59 V138 L141 A152	A55-I150 HydrophobicContact CB-CD1 4.08Å; K56-I150 VanDerWaalsContact CA-CD1 3.44Å; K56-I150 HydrophobicContact CB-CD1 4.09Å; K56-I150 HydrophobicContact CG-CB 4.12Å; K56-I150 HydrophobicContact CG-CD1 3.57Å; K56-I150 HydrophobicContact CG-CG1 3.73Å; A59-I150 HydrophobicContact CB-CD1 4.08Å; V138-I150 HydrophobicContact CG1-CG2 4.02Å; L141-I150 HydrophobicContact CD2-CD1 3.87Å; L141-I150 HydrophobicContact CD2-CG1 3.61Å; I150-A152 VanDerWaalsContact C-N 3.31Å; I150-A152 HydrophobicContact CG2-CB 3.78Å; I150-A152 PolarHBondContact O-N 2.83Å
151	K	37.2	Very low	37	Very low	133 Å²	133	78.8 Å²	78.8	58%	0.578	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	77.5	160.6	-79.3	-179.8	-175	173.7	0	107.5	N140 N153	N140-K151 HydrophobicContact CB-CB 3.66Å; N140-K151 PolarHBondContact O-N 3.3Å; K151-N153 PolarHBondContact O-N 3.47Å
152	A	34.2	Very low	37.2	Very low	29 Å²	29	81 Å²	81	24%	0.24	48%	0.477	C	S	.	.			trans	-75.9	105.2	174.1	0	0	0	0	0	108.1	I150 V154	I150-A152 VanDerWaalsContact C-N 3.31Å; I150-A152 HydrophobicContact CG2-CB 3.78Å; I150-A152 PolarHBondContact O-N 2.83Å; A152-V154 VanDerWaalsContact C-N 3.29Å; A152-V154 HydrophobicContact CB-CG2 4.17Å; A152-V154 PolarHBondContact O-N 3.29Å
153	N	31.3	Very low	37.3	Very low	86 Å²	86	81.5 Å²	81.5	46%	0.46	48%	0.478	S	S	.	.			trans	-76.9	94.4	154.4	-78.9	-30	0	0	0	106	E137 Q139 K151 R155	E137-N153 VanDerWaalsContact O-O 3.07Å; Q139-N153 PolarHBondContact OE1-ND2 3.42Å; Q139-N153 VanDerWaalsContact OE1-ND2 3.12Å; K151-N153 PolarHBondContact O-N 3.47Å; N153-R155 VanDerWaalsContact C-N 3.34Å; N153-R155 PolarHBondContact O-N 2.92Å
154	V	30	Very low	37.7	Very low	75 Å²	75	81 Å²	81	46%	0.455	48%	0.476	S	S	.	.			trans	-65.7	96.3	174.8	173.7	0	0	0	0	108.3	V52 L136 A152	V52-V154 HydrophobicContact CG2-CG2 4.24Å; L136-V154 HydrophobicContact CD2-CB 3.9Å; L136-V154 HydrophobicContact CD2-CG1 3.18Å; L136-V154 HydrophobicContact CD2-CG2 3.81Å; A152-V154 VanDerWaalsContact C-N 3.29Å; A152-V154 HydrophobicContact CB-CG2 4.17Å; A152-V154 PolarHBondContact O-N 3.29Å
155	R	29.8	Very low	37.6	Very low	158 Å²	158	78 Å²	78	60%	0.596	46%	0.464	S	S	*	.			trans	-113.3	114.8	165.6	-72.9	-175.2	177.2	-174.5	1.6	107.7	T135 N153 T157	T135-R155 CarbonylContact O-C 3.5Å; N153-R155 VanDerWaalsContact C-N 3.34Å; N153-R155 PolarHBondContact O-N 2.92Å; R155-T157 PolarHBondContact O-N 3.26Å
156	P	30.7	Very low	37.2	Very low	110 Å²	110	73.7 Å²	73.7	71%	0.714	44%	0.438	S	S	*	.	B	Isolated β-bridge	trans	-55.9	108.2	172.7	21.2	-30.2	0	0	0	109.2	T135	T135-P156 WeakPolarHBondContact O-CA 3.44Å
157	T	34.4	Very low	37.1	Very low	71 Å²	71	67.5 Å²	67.5	44%	0.436	41%	0.405	S	S	.	.			trans	-65.2	136.6	167	-4.5	0	0	0	0	107.5	Q134 T135 R155 A159	Q134-T157 PolarHBondContact O-OG1 3.07Å; T135-T157 VanDerWaalsContact CA-OG1 3.24Å; T135-T157 WeakPolarHBondContact CA-OG1 3.48Å; T135-T157 PolarHBondContact O-N 3.44Å; T135-T157 PolarHBondContact O-OG1 3.39Å; R155-T157 PolarHBondContact O-N 3.26Å; T157-A159 PolarHBondContact O-N 3Å
158	A	34.8	Very low	37.4	Very low	75 Å²	75	65.2 Å²	65.2	62%	0.62	39%	0.389	S	S	*	.			trans	-53.7	132.8	175	0	0	0	0	0	108.2	T160	A158-T160 PolarHBondContact O-N 3.15Å; A158-T160 PolarHBondContact O-OG1 3.48Å
159	A	35.5	Very low	37.8	Very low	98 Å²	98	64.9 Å²	64.9	81%	0.81	39%	0.388	S	S	*	.	S	Bend	trans	-64.6	76.3	-177.9	0	0	0	0	0	110.8	T157	T157-A159 PolarHBondContact O-N 3Å
160	T	35.8	Very low	38.1	Very low	119 Å²	119	60.8 Å²	60.8	73%	0.73	37%	0.37	S	S	*	.			trans	-127.3	103.8	178.2	47.9	0	0	0	0	106.7	A158	A158-T160 PolarHBondContact O-N 3.15Å; A158-T160 PolarHBondContact O-OG1 3.48Å
161	A	37.7	Very low	38.4	Very low	89 Å²	89	60.4 Å²	60.4	74%	0.736	37%	0.37	S	S	*	.			trans	66.8	98.5	-175.5	0	0	0	0	0	114.9	L163	A161-L163 PolarHBondContact O-N 3.47Å
162	S	40.7	Very low	38.9	Very low	52 Å²	52	55.3 Å²	55.3	36%	0.364	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-60.3	118	156.7	170.1	0	0	0	0	107.3	V131 Q134	V131-S162 WeakPolarHBondContact CG2-OG 3.17Å; Q134-S162 VanDerWaalsContact OE1-CA 3.26Å
163	L	41	Very low	39.5	Very low	33 Å²	33	54.4 Å²	54.4	17%	0.173	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-67.7	154.1	166.7	-51.1	158.8	0	0	0	109	Q134 A161 I167	Q134-L163 VanDerWaalsContact NE2-N 3.18Å; Q134-L163 PolarHBondContact NE2-O 2.67Å; A161-L163 PolarHBondContact O-N 3.47Å; L163-I167 HydrophobicContact CB-CB 4.16Å; L163-I167 HydrophobicContact CB-CG2 3.48Å; L163-I167 VanDerWaalsContact CB-CG2 3.48Å; L163-I167 HydrophobicContact CD1-CG2 3.87Å; L163-I167 HydrophobicContact CD2-CG2 3.75Å; L163-I167 HydrophobicContact CG-CG2 3.89Å
164	D	43.4	Very low	40.3	Very low	33 Å²	33	50.3 Å²	50.3	18%	0.176	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-53.1	139.6	164.4	-171.1	-87.4	0	0	0	109.7	S166 I167 F168 Q210	D164-S166 PolarHBondContact O-N 2.93Å; D164-S166 WeakPolarHBondContact OD1-CA 3.46Å; D164-S166 WeakPolarHBondContact OD1-CB 3.48Å; D164-S166 PolarHBondContact OD1-N 3.36Å; D164-S166 PolarHBondContact OD1-OG 3.2Å; D164-I167 HydrophobicContact CB-CB 4.19Å; D164-I167 HydrophobicContact CB-CD1 3.95Å; D164-I167 HydrophobicContact CB-CG1 4.22Å; D164-I167 CarbonylContact O-C 3.57Å; D164-I167 WeakPolarHBondContact O-CA 3.39Å; D164-I167 WeakPolarHBondContact O-CB 3.27Å; D164-I167 PolarHBondContact O-N 2.69Å; D164-F168 PolarHBondContact O-N 3.41Å; D164-Q210 PolarHBondContact OD2-OE1 3.37Å
165	P	43.9	Very low	41.2	Very low	21 Å²	21	48.8 Å²	48.8	14%	0.136	31%	0.311	C	S	.	.	H	α-helix	trans	-48.9	-39.8	174.3	-31	37.3	0	0	0	114.8	I122 V130 I167 F168 A169	I122-P165 HydrophobicContact CB-CB 4.27Å; I122-P165 HydrophobicContact CD1-CB 4.33Å; I122-P165 WeakPolarHBondContact CD1-O 3.41Å; I122-P165 HydrophobicContact CG1-CB 4.13Å; I122-P165 WeakPolarHBondContact CG1-O 3.25Å; I122-P165 HydrophobicContact CG2-CB 3.24Å; I122-P165 HydrophobicContact CG2-CG 4.32Å; V130-P165 HydrophobicContact CB-CB 4.44Å; V130-P165 HydrophobicContact CB-CG 4.28Å; V130-P165 HydrophobicContact CG1-CB 4.06Å; V130-P165 HydrophobicContact CG1-CG 4.01Å; V130-P165 HydrophobicContact CG2-CB 3.79Å; V130-P165 HydrophobicContact CG2-CG 3.95Å; P165-I167 VanDerWaalsContact C-N 3.3Å; P165-I167 PolarHBondContact O-N 2.98Å; P165-F168 PolarHBondContact O-N 3.33Å; P165-F168 VanDerWaalsContact O-N 3.14Å; P165-A169 PolarHBondContact O-N 3.34Å
166	S	40.7	Very low	42.2	Very low	28 Å²	28	42 Å²	42	20%	0.196	29%	0.286	C	S	.	.	H	α-helix	trans	-58.9	-43.8	175.9	-41.2	0	0	0	0	111.1	D164 A170	D164-S166 PolarHBondContact O-N 2.93Å; D164-S166 WeakPolarHBondContact OD1-CA 3.46Å; D164-S166 WeakPolarHBondContact OD1-CB 3.48Å; D164-S166 PolarHBondContact OD1-N 3.36Å; D164-S166 PolarHBondContact OD1-OG 3.2Å; S166-A170 WeakPolarHBondContact O-CB 3.18Å; S166-A170 PolarHBondContact O-N 2.89Å
167	I	41.8	Very low	43.1	Very low	4 Å²	4	37.1 Å²	37.1	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-69	-33.7	176.7	-76.5	168.4	0	0	0	112.1	L163 D164 P165 A170 S171 L203 Q212 I217	L163-I167 HydrophobicContact CB-CB 4.16Å; L163-I167 HydrophobicContact CB-CG2 3.48Å; L163-I167 VanDerWaalsContact CB-CG2 3.48Å; L163-I167 HydrophobicContact CD1-CG2 3.87Å; L163-I167 HydrophobicContact CD2-CG2 3.75Å; L163-I167 HydrophobicContact CG-CG2 3.89Å; D164-I167 HydrophobicContact CB-CB 4.19Å; D164-I167 HydrophobicContact CB-CD1 3.95Å; D164-I167 HydrophobicContact CB-CG1 4.22Å; D164-I167 CarbonylContact O-C 3.57Å; D164-I167 WeakPolarHBondContact O-CA 3.39Å; D164-I167 WeakPolarHBondContact O-CB 3.27Å; D164-I167 PolarHBondContact O-N 2.69Å; P165-I167 VanDerWaalsContact C-N 3.3Å; P165-I167 PolarHBondContact O-N 2.98Å; I167-A170 VanDerWaalsContact O-CB 3.22Å; I167-A170 WeakPolarHBondContact O-CB 3.37Å; I167-A170 PolarHBondContact O-N 2.61Å; I167-S171 PolarHBondContact O-N 2.87Å; I167-S171 PolarHBondContact O-OG 3.47Å; I167-L203 HydrophobicContact CG1-CD2 4.28Å; I167-Q212 HydrophobicContact CD1-CB 4.48Å; I167-I217 HydrophobicContact CB-CD1 3.84Å; I167-I217 HydrophobicContact CG1-CD1 3.77Å; I167-I217 HydrophobicContact CG2-CD1 3.23Å; I167-I217 HydrophobicContact CG2-CG1 4.02Å
168	F	46.7	Very low	43.7	Very low	27 Å²	27	36.1 Å²	36.1	12%	0.118	24%	0.243	C	C	.	.	H	α-helix	trans	-70.3	-47.7	176.3	176.3	-103.3	0	0	0	112.3	V130 L133 Q134 D164 P165 A170 S171 T172	V130-F168 HydrophobicContact CG1-CB 3.93Å; V130-F168 HydrophobicContact CG1-CD1 4.33Å; V130-F168 HydrophobicContact CG1-CG 4.22Å; L133-F168 HydrophobicContact CB-CD1 4.49Å; L133-F168 HydrophobicContact CB-CE1 3.58Å; L133-F168 HydrophobicContact CB-CE2 4.22Å; L133-F168 HydrophobicContact CB-CZ 3.43Å; L133-F168 VanDerWaalsContact CB-CZ 3.43Å; L133-F168 HydrophobicContact CD1-CE1 3.96Å; L133-F168 HydrophobicContact CG-CE1 4.35Å; L133-F168 HydrophobicContact CG-CZ 4.48Å; Q134-F168 HydrophobicContact CB-CD2 4.34Å; Q134-F168 HydrophobicContact CB-CE2 4.5Å; Q134-F168 HydrophobicContact CG-CB 4.21Å; Q134-F168 HydrophobicContact CG-CD2 3.28Å; Q134-F168 HydrophobicContact CG-CE2 3.86Å; Q134-F168 HydrophobicContact CG-CG 3.86Å; D164-F168 PolarHBondContact O-N 3.41Å; P165-F168 PolarHBondContact O-N 3.33Å; P165-F168 VanDerWaalsContact O-N 3.14Å; F168-A170 PolarHBondContact O-N 3.14Å; F168-S171 PolarHBondContact O-N 3.29Å; F168-T172 WeakPolarHBondContact CZ-OG1 3.21Å; F168-T172 WeakPolarHBondContact O-CB 3.37Å; F168-T172 PolarHBondContact O-N 2.98Å; F168-T172 PolarHBondContact O-OG1 3.44Å
169	A	46.3	Very low	44.5	Very low	11 Å²	11	33.7 Å²	33.7	9%	0.091	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-36.8	173.6	0	0	0	0	0	110.4	A118 I122 P165 T172 I173	A118-A169 HydrophobicContact CB-CB 4.35Å; I122-A169 HydrophobicContact CD1-CB 3.45Å; I122-A169 VanDerWaalsContact CD1-CB 3.45Å; I122-A169 HydrophobicContact CG1-CB 3.71Å; P165-A169 PolarHBondContact O-N 3.34Å; A169-T172 PolarHBondContact O-N 2.89Å; A169-I173 WeakPolarHBondContact O-CB 3.13Å; A169-I173 WeakPolarHBondContact O-CD1 3.3Å; A169-I173 WeakPolarHBondContact O-CG1 3.44Å; A169-I173 PolarHBondContact O-N 2.91Å
170	A	45.4	Very low	45.2	Very low	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-54.8	-57.4	173.5	0	0	0	0	0	113.8	S166 I167 F168 T172 I173 L174 F199 L203 I217	S166-A170 WeakPolarHBondContact O-CB 3.18Å; S166-A170 PolarHBondContact O-N 2.89Å; I167-A170 VanDerWaalsContact O-CB 3.22Å; I167-A170 WeakPolarHBondContact O-CB 3.37Å; I167-A170 PolarHBondContact O-N 2.61Å; F168-A170 PolarHBondContact O-N 3.14Å; A170-T172 PolarHBondContact O-N 3.43Å; A170-I173 PolarHBondContact O-N 3.44Å; A170-L174 WeakPolarHBondContact O-CB 3.43Å; A170-L174 VanDerWaalsContact O-CG 3.27Å; A170-L174 WeakPolarHBondContact O-CG 3.44Å; A170-L174 PolarHBondContact O-N 3.26Å; A170-F199 HydrophobicContact CB-CE1 3.3Å; A170-F199 HydrophobicContact CB-CE2 4.4Å; A170-F199 HydrophobicContact CB-CZ 3.12Å; A170-L203 HydrophobicContact CB-CD1 4.25Å; A170-L203 HydrophobicContact CB-CD2 3.64Å; A170-L203 HydrophobicContact CB-CG 4.28Å; A170-I217 HydrophobicContact CB-CD1 4.49Å
171	S	45	Very low	45.8	Very low	16 Å²	16	25.9 Å²	25.9	11%	0.112	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-40.2	-179.9	-52.4	0	0	0	0	110.5	I167 F168 L174 C175 I217	I167-S171 PolarHBondContact O-N 2.87Å; I167-S171 PolarHBondContact O-OG 3.47Å; F168-S171 PolarHBondContact O-N 3.29Å; S171-L174 PolarHBondContact O-N 3.12Å; S171-C175 WeakPolarHBondContact O-CB 3.19Å; S171-C175 PolarHBondContact O-N 3.07Å; S171-C175 PolarHBondContact O-SG 3.3Å; S171-I217 WeakPolarHBondContact OG-CG1 3.21Å
172	T	47.5	Very low	46.5	Very low	26 Å²	26	27 Å²	27	16%	0.16	15%	0.148	C	C	.	.	H	α-helix	trans	-66	-45.1	179	-54.5	0	0	0	0	112.2	L141 F168 A169 A170 Y176	L141-T172 HydrophobicContact CD1-CG2 4.12Å; F168-T172 WeakPolarHBondContact CZ-OG1 3.21Å; F168-T172 WeakPolarHBondContact O-CB 3.37Å; F168-T172 PolarHBondContact O-N 2.98Å; F168-T172 PolarHBondContact O-OG1 3.44Å; A169-T172 PolarHBondContact O-N 2.89Å; A170-T172 PolarHBondContact O-N 3.43Å; T172-Y176 WeakPolarHBondContact O-CB 3.15Å; T172-Y176 PolarHBondContact O-N 3.42Å
173	I	47.1	Very low	47	Very low	10 Å²	10	28.8 Å²	28.8	5%	0.051	15%	0.151	C	C	.	.	H	α-helix	trans	-62.6	-45	176.3	-70.8	164.9	0	0	0	110.1	L62 A118 A169 A170 Y176 Y177	L62-I173 HydrophobicContact CD1-CD1 4.33Å; L62-I173 HydrophobicContact CD1-CG1 3.71Å; L62-I173 HydrophobicContact CD2-CD1 3.87Å; L62-I173 HydrophobicContact CD2-CG1 3.99Å; L62-I173 HydrophobicContact CG-CG1 4.41Å; A118-I173 HydrophobicContact CB-CD1 4.23Å; A169-I173 WeakPolarHBondContact O-CB 3.13Å; A169-I173 WeakPolarHBondContact O-CD1 3.3Å; A169-I173 WeakPolarHBondContact O-CG1 3.44Å; A169-I173 PolarHBondContact O-N 2.91Å; A170-I173 PolarHBondContact O-N 3.44Å; I173-Y176 WeakPolarHBondContact O-CB 3.21Å; I173-Y176 PolarHBondContact O-N 3.06Å; I173-Y177 HydrophobicContact CG2-CD2 3.64Å; I173-Y177 HydrophobicContact CG2-CE2 3.54Å; I173-Y177 VanDerWaalsContact O-CD2 3.22Å; I173-Y177 WeakPolarHBondContact O-CD2 3.26Å; I173-Y177 PolarHBondContact O-N 3.18Å
174	L	47.9	Very low	47.2	Very low	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.6	-51.8	177.4	-72.5	174.1	0	0	0	111.2	A170 S171 Y176 Y177 K178 L196 F199 L203 I217 W221 I224	A170-L174 WeakPolarHBondContact O-CB 3.43Å; A170-L174 VanDerWaalsContact O-CG 3.27Å; A170-L174 WeakPolarHBondContact O-CG 3.44Å; A170-L174 PolarHBondContact O-N 3.26Å; S171-L174 PolarHBondContact O-N 3.12Å; L174-Y176 PolarHBondContact O-N 3.35Å; L174-Y177 PolarHBondContact O-N 2.86Å; L174-Y177 VanDerWaalsContact O-N 3.11Å; L174-K178 PolarHBondContact O-N 3.27Å; L174-L196 HydrophobicContact CD2-CD2 3.4Å; L174-F199 HydrophobicContact CD1-CD1 4.21Å; L174-F199 HydrophobicContact CD1-CE1 4.07Å; L174-F199 HydrophobicContact CD2-CD1 3.97Å; L174-F199 HydrophobicContact CD2-CE1 4.48Å; L174-F199 HydrophobicContact CG-CD1 4Å; L174-F199 HydrophobicContact CG-CE1 4.01Å; L174-L203 HydrophobicContact CD1-CD1 4.07Å; L174-I217 HydrophobicContact CD1-CG2 3.92Å; L174-W221 HydrophobicContact CD1-CB 4.45Å; L174-I224 HydrophobicContact CB-CD1 3.52Å; L174-I224 HydrophobicContact CD2-CD1 3.58Å; L174-I224 HydrophobicContact CG-CD1 4.12Å; L174-I224 WeakPolarHBondContact O-CD1 3.34Å
175	C	49.3	Very low	47.4	Very low	44 Å²	44	33.8 Å²	33.8	30%	0.297	18%	0.179	S	C	.	.	H	α-helix	trans	-56.1	-39.5	175.7	-74.5	0	0	0	0	112.3	S171 K178 Q179	S171-C175 WeakPolarHBondContact O-CB 3.19Å; S171-C175 PolarHBondContact O-N 3.07Å; S171-C175 PolarHBondContact O-SG 3.3Å; C175-K178 WeakPolarHBondContact O-CB 3.45Å; C175-K178 PolarHBondContact O-N 3.45Å; C175-Q179 WeakPolarHBondContact O-CB 3.32Å; C175-Q179 WeakPolarHBondContact O-CG 3.2Å; C175-Q179 PolarHBondContact O-N 3.11Å
176	Y	50.4	Low	47.4	Very low	15 Å²	15	40.4 Å²	40.4	6%	0.059	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-49.2	174.7	177.1	-100.1	0	0	0	112	Y63 L141 V148 T172 I173 L174 K178 Q179 L180	Y63-Y176 HydrophobicContact CD2-CE1 4.35Å; Y63-Y176 AromaticContact CD2-CZ 3.78Å; Y63-Y176 WeakPolarHBondContact CD2-OH 3.36Å; Y63-Y176 WeakPolarHBondContact CE2-OH 3.08Å; L141-Y176 HydrophobicContact CB-CD2 3.97Å; L141-Y176 HydrophobicContact CD1-CD2 4.3Å; V148-Y176 HydrophobicContact CG2-CE2 4.49Å; T172-Y176 WeakPolarHBondContact O-CB 3.15Å; T172-Y176 PolarHBondContact O-N 3.42Å; I173-Y176 WeakPolarHBondContact O-CB 3.21Å; I173-Y176 PolarHBondContact O-N 3.06Å; L174-Y176 PolarHBondContact O-N 3.35Å; Y176-K178 VanDerWaalsContact C-N 3.31Å; Y176-K178 PolarHBondContact O-N 3Å; Y176-Q179 PolarHBondContact O-N 2.82Å; Y176-L180 HydrophobicContact CE1-CB 4.44Å; Y176-L180 HydrophobicContact CE1-CD2 4.21Å; Y176-L180 WeakPolarHBondContact O-CB 3.4Å; Y176-L180 PolarHBondContact O-N 2.82Å
177	Y	49	Very low	47.7	Very low	8 Å²	8	40 Å²	40	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-40.9	177.4	-84.7	-67.7	0	0	0	112	V66 I173 L174 Q179 L180 M181 T192 L196	V66-Y177 HydrophobicContact CG1-CE1 4.03Å; V66-Y177 WeakPolarHBondContact CG1-OH 3.16Å; V66-Y177 WeakPolarHBondContact CG2-OH 3.33Å; I173-Y177 HydrophobicContact CG2-CD2 3.64Å; I173-Y177 HydrophobicContact CG2-CE2 3.54Å; I173-Y177 VanDerWaalsContact O-CD2 3.22Å; I173-Y177 WeakPolarHBondContact O-CD2 3.26Å; I173-Y177 PolarHBondContact O-N 3.18Å; L174-Y177 PolarHBondContact O-N 2.86Å; L174-Y177 VanDerWaalsContact O-N 3.11Å; Y177-Q179 VanDerWaalsContact C-N 3.34Å; Y177-Q179 PolarHBondContact O-N 3.5Å; Y177-L180 HydrophobicContact CD1-CD2 4.49Å; Y177-L180 PolarHBondContact O-N 3.31Å; Y177-M181 WeakPolarHBondContact O-CB 3.49Å; Y177-M181 VanDerWaalsContact O-CG 3.26Å; Y177-M181 WeakPolarHBondContact O-CG 3.15Å; Y177-M181 PolarHBondContact O-N 3.44Å; Y177-T192 HydrophobicContact CD1-CG2 3.85Å; Y177-T192 HydrophobicContact CE1-CG2 4.3Å; Y177-L196 HydrophobicContact CD2-CD2 4.19Å; Y177-L196 HydrophobicContact CG-CD2 4.37Å
178	K	49	Very low	47.9	Very low	50 Å²	50	43.1 Å²	43.1	22%	0.217	22%	0.221	C	C	.	.	H	α-helix	trans	-52.9	-53.2	172.2	-176.4	-179.9	175.1	179	0	110.8	L174 C175 Y176 L180 M181 E182 D223 I224 L227	L174-K178 PolarHBondContact O-N 3.27Å; C175-K178 WeakPolarHBondContact O-CB 3.45Å; C175-K178 PolarHBondContact O-N 3.45Å; Y176-K178 VanDerWaalsContact C-N 3.31Å; Y176-K178 PolarHBondContact O-N 3Å; K178-L180 PolarHBondContact O-N 2.84Å; K178-M181 PolarHBondContact O-N 3.45Å; K178-E182 WeakPolarHBondContact CE-OE1 3.07Å; K178-E182 WeakPolarHBondContact O-CG 3.4Å; K178-E182 PolarHBondContact O-N 2.74Å; K178-D223 HydrophobicContact CD-CB 4.13Å; K178-D223 IonicContact NZ-OD2 3.5Å; K178-D223 PolarHBondContact NZ-OD2 3.26Å; K178-I224 HydrophobicContact CB-CD1 4.26Å; K178-I224 HydrophobicContact CB-CG1 3.72Å; K178-I224 HydrophobicContact CG-CG1 4.34Å; K178-L227 HydrophobicContact CD-CD1 4.46Å; K178-L227 HydrophobicContact CG-CD1 3.66Å
179	Q	51	Low	47.9	Very low	24 Å²	24	42.1 Å²	42.1	11%	0.112	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-37.2	-179.1	-74.7	167.2	-23.9	0	0	112.6	Q139 L141 C175 Y176 Y177 E182 Q183	Q139-Q179 PolarHBondContact O-NE2 3.26Å; Q139-Q179 VanDerWaalsContact O-NE2 3.15Å; L141-Q179 VanDerWaalsContact CB-OE1 3.22Å; L141-Q179 WeakPolarHBondContact O-CB 3.23Å; L141-Q179 PolarHBondContact O-OE1 2.88Å; C175-Q179 WeakPolarHBondContact O-CB 3.32Å; C175-Q179 WeakPolarHBondContact O-CG 3.2Å; C175-Q179 PolarHBondContact O-N 3.11Å; Y176-Q179 PolarHBondContact O-N 2.82Å; Y177-Q179 VanDerWaalsContact C-N 3.34Å; Y177-Q179 PolarHBondContact O-N 3.5Å; Q179-E182 PolarHBondContact O-N 2.95Å; Q179-Q183 WeakPolarHBondContact O-CB 3.46Å; Q179-Q183 VanDerWaalsContact O-CG 3.23Å; Q179-Q183 WeakPolarHBondContact O-CG 3.39Å; Q179-Q183 PolarHBondContact O-N 3.5Å
180	L	49.7	Very low	47.9	Very low	24 Å²	24	45.6 Å²	45.6	13%	0.126	23%	0.228	C	C	.	.	H	α-helix	trans	-64.1	-44.2	175.1	-174	70.3	0	0	0	111.1	Y176 Y177 K178 E182 Q183 V184 V187	Y176-L180 HydrophobicContact CE1-CB 4.44Å; Y176-L180 HydrophobicContact CE1-CD2 4.21Å; Y176-L180 WeakPolarHBondContact O-CB 3.4Å; Y176-L180 PolarHBondContact O-N 2.82Å; Y177-L180 HydrophobicContact CD1-CD2 4.49Å; Y177-L180 PolarHBondContact O-N 3.31Å; K178-L180 PolarHBondContact O-N 2.84Å; L180-E182 VanDerWaalsContact C-N 3.33Å; L180-E182 PolarHBondContact O-N 2.98Å; L180-Q183 PolarHBondContact O-N 2.91Å; L180-V184 HydrophobicContact CD1-CG2 3.67Å; L180-V184 HydrophobicContact CG-CG2 4.26Å; L180-V184 WeakPolarHBondContact O-CB 3.11Å; L180-V184 WeakPolarHBondContact O-CG2 3.49Å; L180-V184 PolarHBondContact O-N 3.19Å; L180-V187 HydrophobicContact CG-CG2 4.25Å
181	M	48.1	Very low	47.9	Very low	28 Å²	28	48 Å²	48	14%	0.138	24%	0.238	C	C	.	.	H	α-helix	trans	-65.6	-35.3	176.6	-70.3	-175	70.6	0	0	112.3	Y177 K178 Q183 M189 T192 I224 T228	Y177-M181 WeakPolarHBondContact O-CB 3.49Å; Y177-M181 VanDerWaalsContact O-CG 3.26Å; Y177-M181 WeakPolarHBondContact O-CG 3.15Å; Y177-M181 PolarHBondContact O-N 3.44Å; K178-M181 PolarHBondContact O-N 3.45Å; M181-Q183 VanDerWaalsContact C-N 3.3Å; M181-Q183 PolarHBondContact O-N 3.24Å; M181-M189 HydrophobicContact CE-CG 4.46Å; M181-T192 HydrophobicContact CG-CG2 4.37Å; M181-T192 HydrophobicContact SD-CG2 3.83Å; M181-I224 HydrophobicContact SD-CG2 4.32Å; M181-T228 HydrophobicContact CE-CG2 4.31Å; M181-T228 WeakPolarHBondContact CE-OG1 3.2Å
182	E	52.4	Low	48	Very low	114 Å²	114	47.5 Å²	47.5	53%	0.533	24%	0.235	S	C	.	.	H	α-helix	trans	-69.1	-25.8	173.7	-72.6	172.5	176.4	0	0	113	K178 Q179 L180 L227	K178-E182 WeakPolarHBondContact CE-OE1 3.07Å; K178-E182 WeakPolarHBondContact O-CG 3.4Å; K178-E182 PolarHBondContact O-N 2.74Å; Q179-E182 PolarHBondContact O-N 2.95Å; L180-E182 VanDerWaalsContact C-N 3.33Å; L180-E182 PolarHBondContact O-N 2.98Å; E182-L227 HydrophobicContact CG-CD1 4.19Å
183	Q	51	Low	47.9	Very low	89 Å²	89	47 Å²	47	42%	0.416	23%	0.232	S	C	.	.	H	α-helix	trans	-100	-24.3	-174.5	-73.4	170.2	20.1	0	0	114.5	Q179 L180 M181	Q179-Q183 WeakPolarHBondContact O-CB 3.46Å; Q179-Q183 VanDerWaalsContact O-CG 3.23Å; Q179-Q183 WeakPolarHBondContact O-CG 3.39Å; Q179-Q183 PolarHBondContact O-N 3.5Å; L180-Q183 PolarHBondContact O-N 2.91Å; M181-Q183 VanDerWaalsContact C-N 3.3Å; M181-Q183 PolarHBondContact O-N 3.24Å
184	V	45.1	Very low	47.9	Very low	52 Å²	52	49 Å²	49	32%	0.315	24%	0.243	S	C	.	.			trans	-117.8	112.5	-168.8	-178.1	0	0	0	0	110.6	L180 H186 V187	L180-V184 HydrophobicContact CD1-CG2 3.67Å; L180-V184 HydrophobicContact CG-CG2 4.26Å; L180-V184 WeakPolarHBondContact O-CB 3.11Å; L180-V184 WeakPolarHBondContact O-CG2 3.49Å; L180-V184 PolarHBondContact O-N 3.19Å; V184-H186 PolarHBondContact O-N 3.42Å; V184-H186 VanDerWaalsContact O-N 3.08Å; V184-V187 HydrophobicContact CB-CG2 3.69Å; V184-V187 HydrophobicContact CG1-CG2 3.86Å
185	D	47.8	Very low	47.9	Very low	119 Å²	119	49.1 Å²	49.1	64%	0.636	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.7	176.6	-77.8	-24.4	0	0	0	113.8	R235	D185-R235 PolarHBondContact O-NH2 2.92Å
186	H	45.2	Very low	47.9	Very low	160 Å²	160	47.5 Å²	47.5	74%	0.741	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.1	32	-167.4	-60.1	-36	0	0	0	114.4	V184 D188	V184-H186 PolarHBondContact O-N 3.42Å; V184-H186 VanDerWaalsContact O-N 3.08Å; H186-D188 PolarHBondContact O-N 2.95Å
187	V	45.5	Very low	47.8	Very low	18 Å²	18	48.2 Å²	48.2	11%	0.109	24%	0.238	C	C	.	.			trans	-58.5	132	168	-172.7	0	0	0	0	108.4	L180 V184 M189 T192 R235	L180-V187 HydrophobicContact CG-CG2 4.25Å; V184-V187 HydrophobicContact CB-CG2 3.69Å; V184-V187 HydrophobicContact CG1-CG2 3.86Å; V187-M189 VanDerWaalsContact C-N 3.25Å; V187-M189 PolarHBondContact O-N 2.84Å; V187-T192 WeakPolarHBondContact CG1-OG1 3.37Å; V187-R235 PolarHBondContact O-NH2 2.87Å
188	D	46.4	Very low	47.7	Very low	71 Å²	71	48.3 Å²	48.3	38%	0.38	24%	0.24	S	C	.	.			trans	-65.6	94.2	166.9	-173.1	-16.4	0	0	0	106.7	H186 Y190 K191 T192	H186-D188 PolarHBondContact O-N 2.95Å; D188-Y190 VanDerWaalsContact C-N 3.32Å; D188-Y190 PolarHBondContact O-N 2.69Å; D188-K191 HydrophobicContact CB-CB 3.96Å; D188-K191 HydrophobicContact CB-CD 4.01Å; D188-K191 HydrophobicContact CB-CG 4.21Å; D188-K191 WeakPolarHBondContact O-CB 3.31Å; D188-K191 PolarHBondContact O-N 3.42Å; D188-K191 WeakPolarHBondContact OD2-CD 3.28Å; D188-K191 WeakPolarHBondContact OD2-CE 3.17Å; D188-K191 WeakPolarHBondContact OD2-CG 3.39Å; D188-K191 IonicContact OD2-NZ 2.7Å; D188-T192 PolarHBondContact O-N 3.22Å; D188-T192 VanDerWaalsContact O-N 3.13Å; D188-T192 PolarHBondContact O-OG1 3.1Å
189	M	46.8	Very low	47.7	Very low	5 Å²	5	47.2 Å²	47.2	3%	0.025	24%	0.236	C	C	.	.	H	α-helix	trans	-67.3	-34	-169.1	-102.2	-159	-54.2	0	0	112.8	M181 V187 K191 T192 V193 T228 E231 L232 R235	M181-M189 HydrophobicContact CE-CG 4.46Å; V187-M189 VanDerWaalsContact C-N 3.25Å; V187-M189 PolarHBondContact O-N 2.84Å; M189-K191 PolarHBondContact O-N 3.46Å; M189-T192 PolarHBondContact O-N 2.98Å; M189-T192 VanDerWaalsContact O-N 3.17Å; M189-V193 WeakPolarHBondContact O-CB 3.36Å; M189-V193 WeakPolarHBondContact O-CG2 3.49Å; M189-V193 PolarHBondContact O-N 2.91Å; M189-T228 HydrophobicContact SD-CG2 4.05Å; M189-E231 HydrophobicContact CE-CB 4.19Å; M189-E231 HydrophobicContact CE-CG 3.68Å; M189-E231 HydrophobicContact CG-CG 4.28Å; M189-E231 HydrophobicContact SD-CB 3.6Å; M189-E231 HydrophobicContact SD-CG 3.44Å; M189-E231 WeakPolarHBondContact SD-CG 3.35Å; M189-L232 HydrophobicContact CE-CB 4.25Å; M189-L232 HydrophobicContact CE-CD2 3.77Å; M189-L232 HydrophobicContact CE-CG 3.55Å; M189-L232 HydrophobicContact SD-CG 3.86Å; M189-R235 HydrophobicContact CE-CG 4.46Å
190	Y	45.9	Very low	47.6	Very low	85 Å²	85	46.1 Å²	46.1	33%	0.333	23%	0.231	S	C	.	.	H	α-helix	trans	-58.3	-44.5	178.5	-60.2	-68.9	0	0	0	110.1	D188 V193 D194 H245 N248	D188-Y190 VanDerWaalsContact C-N 3.32Å; D188-Y190 PolarHBondContact O-N 2.69Å; Y190-V193 PolarHBondContact O-N 3.01Å; Y190-D194 PolarHBondContact O-N 3.24Å; Y190-H245 PolarHBondContact OH-CD2 2.95Å; Y190-N248 HydrophobicContact CE1-CB 4.18Å; Y190-N248 VanDerWaalsContact CE1-ND2 3.25Å; Y190-N248 WeakPolarHBondContact CE1-ND2 3.44Å
191	K	46.2	Very low	47.6	Very low	49 Å²	49	49.1 Å²	49.1	21%	0.213	24%	0.244	C	C	.	.	H	α-helix	trans	-57.9	-50.4	173.6	-84.5	-165.4	-168.6	-176.6	0	112.4	D70 V71 D188 M189 A195	D70-K191 WeakPolarHBondContact OD1-CE 3.21Å; D70-K191 IonicContact OD1-NZ 3.2Å; D70-K191 PolarHBondContact OD1-NZ 3.33Å; D70-K191 IonicContact OD2-NZ 2.69Å; V71-K191 HydrophobicContact CB-CB 3.47Å; V71-K191 VanDerWaalsContact CB-CB 3.47Å; V71-K191 HydrophobicContact CB-CD 3.86Å; V71-K191 HydrophobicContact CB-CG 3.64Å; V71-K191 HydrophobicContact CG1-CB 4.27Å; V71-K191 WeakPolarHBondContact CG1-O 3.48Å; V71-K191 HydrophobicContact CG2-CB 4Å; V71-K191 HydrophobicContact CG2-CD 4.01Å; V71-K191 HydrophobicContact CG2-CG 4.27Å; D188-K191 HydrophobicContact CB-CB 3.96Å; D188-K191 HydrophobicContact CB-CD 4.01Å; D188-K191 HydrophobicContact CB-CG 4.21Å; D188-K191 WeakPolarHBondContact O-CB 3.31Å; D188-K191 PolarHBondContact O-N 3.42Å; D188-K191 WeakPolarHBondContact OD2-CD 3.28Å; D188-K191 WeakPolarHBondContact OD2-CE 3.17Å; D188-K191 WeakPolarHBondContact OD2-CG 3.39Å; D188-K191 IonicContact OD2-NZ 2.7Å; M189-K191 PolarHBondContact O-N 3.46Å; K191-A195 PolarHBondContact O-N 3.11Å
192	T	46.5	Very low	47.6	Very low	7 Å²	7	48.9 Å²	48.9	4%	0.043	24%	0.243	C	C	.	.	H	α-helix	trans	-64	-43	178.8	-59.6	0	0	0	0	112.2	Y177 M181 V187 D188 M189 A195 L196	Y177-T192 HydrophobicContact CD1-CG2 3.85Å; Y177-T192 HydrophobicContact CE1-CG2 4.3Å; M181-T192 HydrophobicContact CG-CG2 4.37Å; M181-T192 HydrophobicContact SD-CG2 3.83Å; V187-T192 WeakPolarHBondContact CG1-OG1 3.37Å; D188-T192 PolarHBondContact O-N 3.22Å; D188-T192 VanDerWaalsContact O-N 3.13Å; D188-T192 PolarHBondContact O-OG1 3.1Å; M189-T192 PolarHBondContact O-N 2.98Å; M189-T192 VanDerWaalsContact O-N 3.17Å; T192-A195 PolarHBondContact O-N 2.97Å; T192-L196 HydrophobicContact CG2-CD1 3.52Å; T192-L196 HydrophobicContact CG2-CG 4.24Å; T192-L196 WeakPolarHBondContact O-CB 3.5Å; T192-L196 VanDerWaalsContact O-CD1 3.26Å; T192-L196 WeakPolarHBondContact O-CD1 3.33Å; T192-L196 WeakPolarHBondContact O-CG 3.42Å; T192-L196 PolarHBondContact O-N 3.1Å
193	V	46.7	Very low	47.4	Very low	16 Å²	16	44 Å²	44	10%	0.097	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-48.7	177.8	162.4	0	0	0	0	113	M189 Y190 A195 L196 T197 T228 I252	M189-V193 WeakPolarHBondContact O-CB 3.36Å; M189-V193 WeakPolarHBondContact O-CG2 3.49Å; M189-V193 PolarHBondContact O-N 2.91Å; Y190-V193 PolarHBondContact O-N 3.01Å; V193-A195 VanDerWaalsContact C-N 3.35Å; V193-L196 PolarHBondContact O-N 3.03Å; V193-T197 WeakPolarHBondContact O-CB 3.26Å; V193-T197 PolarHBondContact O-N 2.88Å; V193-T197 PolarHBondContact O-OG1 3.38Å; V193-T197 VanDerWaalsContact O-OG1 3.09Å; V193-T228 HydrophobicContact CG2-CG2 3.22Å; V193-I252 HydrophobicContact CB-CD1 4.16Å; V193-I252 HydrophobicContact CB-CG1 4.26Å; V193-I252 HydrophobicContact CG1-CD1 3.7Å; V193-I252 HydrophobicContact CG1-CG1 3.33Å; V193-I252 HydrophobicContact CG2-CD1 3.41Å; V193-I252 VanDerWaalsContact CG2-CD1 3.41Å; V193-I252 HydrophobicContact CG2-CG1 3.88Å
194	D	47.1	Very low	47.3	Very low	52 Å²	52	40.8 Å²	40.8	28%	0.278	21%	0.206	S	C	.	.	H	α-helix	trans	-63.9	-44.4	-177.1	-77.4	-18.5	0	0	0	110.5	F74 Y190 L196 T197 A198	F74-D194 HydrophobicContact CB-CB 4.12Å; Y190-D194 PolarHBondContact O-N 3.24Å; D194-L196 VanDerWaalsContact C-N 3.35Å; D194-L196 PolarHBondContact O-N 2.83Å; D194-T197 PolarHBondContact O-N 2.81Å; D194-A198 WeakPolarHBondContact O-CB 3.33Å; D194-A198 PolarHBondContact O-N 3.27Å
195	A	47.4	Very low	47.5	Very low	2 Å²	2	41.6 Å²	41.6	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-59.4	-45.1	174.1	0	0	0	0	0	111.9	V71 F74 K191 T192 V193 F199	V71-A195 HydrophobicContact CG1-CB 3.59Å; F74-A195 HydrophobicContact CD1-CB 3.75Å; F74-A195 HydrophobicContact CE1-CB 4.15Å; K191-A195 PolarHBondContact O-N 3.11Å; T192-A195 PolarHBondContact O-N 2.97Å; V193-A195 VanDerWaalsContact C-N 3.35Å; A195-F199 WeakPolarHBondContact O-CB 3.06Å; A195-F199 PolarHBondContact O-N 3.46Å
196	L	48.5	Very low	47.4	Very low	9 Å²	9	37.2 Å²	37.2	5%	0.047	18%	0.184	C	C	.	.	H	α-helix	trans	-69.9	-36	-177.9	-69.9	165.5	0	0	0	113.5	L174 Y177 T192 V193 D194 F199 G200 W221 I224	L174-L196 HydrophobicContact CD2-CD2 3.4Å; Y177-L196 HydrophobicContact CD2-CD2 4.19Å; Y177-L196 HydrophobicContact CG-CD2 4.37Å; T192-L196 HydrophobicContact CG2-CD1 3.52Å; T192-L196 HydrophobicContact CG2-CG 4.24Å; T192-L196 WeakPolarHBondContact O-CB 3.5Å; T192-L196 VanDerWaalsContact O-CD1 3.26Å; T192-L196 WeakPolarHBondContact O-CD1 3.33Å; T192-L196 WeakPolarHBondContact O-CG 3.42Å; T192-L196 PolarHBondContact O-N 3.1Å; V193-L196 PolarHBondContact O-N 3.03Å; D194-L196 VanDerWaalsContact C-N 3.35Å; D194-L196 PolarHBondContact O-N 2.83Å; L196-F199 PolarHBondContact O-N 3.27Å; L196-G200 PolarHBondContact O-N 2.77Å; L196-W221 PolarHBondContact O-NE1 3.13Å; L196-I224 HydrophobicContact CD1-CG2 3.23Å; L196-I224 HydrophobicContact CD2-CD1 4.31Å; L196-I224 HydrophobicContact CD2-CG2 3.91Å; L196-I224 HydrophobicContact CG-CG2 4.17Å
197	T	48.6	Very low	47.5	Very low	30 Å²	30	33.2 Å²	33.2	18%	0.184	16%	0.163	C	C	.	.	H	α-helix	trans	-65.8	-52.3	175.2	-68.7	0	0	0	0	110.4	V193 D194 F199 G200 E201 S255	V193-T197 WeakPolarHBondContact O-CB 3.26Å; V193-T197 PolarHBondContact O-N 2.88Å; V193-T197 PolarHBondContact O-OG1 3.38Å; V193-T197 VanDerWaalsContact O-OG1 3.09Å; D194-T197 PolarHBondContact O-N 2.81Å; T197-F199 PolarHBondContact O-N 3.27Å; T197-G200 PolarHBondContact O-N 2.93Å; T197-G200 VanDerWaalsContact O-N 3.16Å; T197-E201 PolarHBondContact O-N 3.1Å; T197-S255 WeakPolarHBondContact CG2-OG 3.02Å; T197-S255 PolarHBondContact OG1-OG 3.21Å
198	A	47.7	Very low	47.8	Very low	11 Å²	11	37.8 Å²	37.8	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-56	-38.1	176	0	0	0	0	0	111	D194 Q202	D194-A198 WeakPolarHBondContact O-CB 3.33Å; D194-A198 PolarHBondContact O-N 3.27Å; A198-Q202 WeakPolarHBondContact O-CG 3.26Å; A198-Q202 PolarHBondContact O-N 3.13Å
199	F	47.7	Very low	47.9	Very low	26 Å²	26	40.2 Å²	40.2	11%	0.114	19%	0.192	C	C	.	.	H	α-helix	trans	-68.9	-43.6	178.4	-163.3	-102.8	0	0	0	113.8	A170 L174 A195 L196 T197 Q202 L203	A170-F199 HydrophobicContact CB-CE1 3.3Å; A170-F199 HydrophobicContact CB-CE2 4.4Å; A170-F199 HydrophobicContact CB-CZ 3.12Å; L174-F199 HydrophobicContact CD1-CD1 4.21Å; L174-F199 HydrophobicContact CD1-CE1 4.07Å; L174-F199 HydrophobicContact CD2-CD1 3.97Å; L174-F199 HydrophobicContact CD2-CE1 4.48Å; L174-F199 HydrophobicContact CG-CD1 4Å; L174-F199 HydrophobicContact CG-CE1 4.01Å; A195-F199 WeakPolarHBondContact O-CB 3.06Å; A195-F199 PolarHBondContact O-N 3.46Å; L196-F199 PolarHBondContact O-N 3.27Å; T197-F199 PolarHBondContact O-N 3.27Å; F199-Q202 PolarHBondContact O-N 2.73Å; F199-L203 HydrophobicContact CD1-CD1 3.74Å; F199-L203 HydrophobicContact CD1-CG 4.44Å; F199-L203 HydrophobicContact CE1-CD1 3.48Å; F199-L203 VanDerWaalsContact CE1-CD1 3.48Å; F199-L203 HydrophobicContact CE1-CG 4.02Å; F199-L203 HydrophobicContact CZ-CD1 4.33Å; F199-L203 HydrophobicContact CZ-CG 4.4Å; F199-L203 PolarHBondContact O-N 3.27Å
200	G	49.7	Very low	47.9	Very low	1 Å²	1	43.9 Å²	43.9	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-67.2	-33	176.7	0	0	0	0	0	113.5	L196 T197 L203 N204	L196-G200 PolarHBondContact O-N 2.77Å; T197-G200 PolarHBondContact O-N 2.93Å; T197-G200 VanDerWaalsContact O-N 3.16Å; G200-L203 PolarHBondContact O-N 3.35Å; G200-N204 PolarHBondContact O-N 2.91Å
201	E	50.1	Low	47.9	Very low	87 Å²	87	43.3 Å²	43.3	41%	0.407	23%	0.23	S	C	.	.	H	α-helix	trans	-62.8	-42.3	171.1	-71.5	-174.4	158.6	0	0	111.7	T197 N204 L205	T197-E201 PolarHBondContact O-N 3.1Å; E201-N204 PolarHBondContact O-N 2.93Å; E201-L205 PolarHBondContact O-N 2.81Å; E201-L205 VanDerWaalsContact O-N 3.11Å
202	Q	46.2	Very low	48.1	Very low	23 Å²	23	43.9 Å²	43.9	11%	0.107	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-39.6	176.3	-69.4	-65.6	-20.6	0	0	112.5	A198 F199 N204 L205 L206	A198-Q202 WeakPolarHBondContact O-CG 3.26Å; A198-Q202 PolarHBondContact O-N 3.13Å; F199-Q202 PolarHBondContact O-N 2.73Å; Q202-N204 VanDerWaalsContact C-N 3.31Å; Q202-N204 PolarHBondContact O-N 3.42Å; Q202-L205 WeakPolarHBondContact O-CB 3.36Å; Q202-L205 PolarHBondContact O-N 2.78Å; Q202-L206 PolarHBondContact O-N 2.85Å
203	L	48.4	Very low	48.2	Very low	11 Å²	11	47.5 Å²	47.5	6%	0.058	26%	0.258	C	S	.	.	H	α-helix	trans	-62.2	-38.7	174.5	-78.9	166.7	0	0	0	112.6	I167 A170 L174 F199 G200 L205 L206 R207 I217	I167-L203 HydrophobicContact CG1-CD2 4.28Å; A170-L203 HydrophobicContact CB-CD1 4.25Å; A170-L203 HydrophobicContact CB-CD2 3.64Å; A170-L203 HydrophobicContact CB-CG 4.28Å; L174-L203 HydrophobicContact CD1-CD1 4.07Å; F199-L203 HydrophobicContact CD1-CD1 3.74Å; F199-L203 HydrophobicContact CD1-CG 4.44Å; F199-L203 HydrophobicContact CE1-CD1 3.48Å; F199-L203 VanDerWaalsContact CE1-CD1 3.48Å; F199-L203 HydrophobicContact CE1-CG 4.02Å; F199-L203 HydrophobicContact CZ-CD1 4.33Å; F199-L203 HydrophobicContact CZ-CG 4.4Å; F199-L203 PolarHBondContact O-N 3.27Å; G200-L203 PolarHBondContact O-N 3.35Å; L203-L205 VanDerWaalsContact C-N 3.34Å; L203-L206 HydrophobicContact CD2-CD1 4.42Å; L203-L206 PolarHBondContact O-N 2.74Å; L203-R207 WeakPolarHBondContact O-CB 3.37Å; L203-R207 PolarHBondContact O-N 3.36Å; L203-I217 HydrophobicContact CD1-CG2 3.34Å; L203-I217 HydrophobicContact CD2-CD1 3.51Å; L203-I217 HydrophobicContact CD2-CG2 4.22Å; L203-I217 HydrophobicContact CG-CG2 4.27Å
204	N	50.2	Low	48.6	Very low	23 Å²	23	47.7 Å²	47.7	12%	0.123	26%	0.26	C	S	.	.	H	α-helix	trans	-65	-37.1	173.4	-86.8	-38	0	0	0	112.9	G200 E201 Q202 R207 E208 I259	G200-N204 PolarHBondContact O-N 2.91Å; E201-N204 PolarHBondContact O-N 2.93Å; Q202-N204 VanDerWaalsContact C-N 3.31Å; Q202-N204 PolarHBondContact O-N 3.42Å; N204-R207 WeakPolarHBondContact O-CB 3.39Å; N204-R207 PolarHBondContact O-N 3.43Å; N204-E208 WeakPolarHBondContact O-CG 3.44Å; N204-E208 PolarHBondContact O-N 3.28Å; N204-I259 VanDerWaalsContact ND2-CA 3.26Å; N204-I259 WeakPolarHBondContact ND2-CA 3.05Å; N204-I259 PolarHBondContact ND2-O 3.01Å; N204-I259 PolarHBondContact OD1-O 2.92Å
205	L	48.8	Very low	49	Very low	69 Å²	69	50.5 Å²	50.5	36%	0.361	28%	0.275	S	S	.	.	H	α-helix	trans	-62.6	-44.1	173.2	-68	171.4	0	0	0	111.1	E201 Q202 L203 R207 E208 E209	E201-L205 PolarHBondContact O-N 2.81Å; E201-L205 VanDerWaalsContact O-N 3.11Å; Q202-L205 WeakPolarHBondContact O-CB 3.36Å; Q202-L205 PolarHBondContact O-N 2.78Å; L203-L205 VanDerWaalsContact C-N 3.34Å; L205-R207 VanDerWaalsContact C-N 3.33Å; L205-R207 PolarHBondContact O-N 2.92Å; L205-E208 PolarHBondContact O-N 3.27Å; L205-E209 PolarHBondContact O-N 3.26Å; L205-E209 VanDerWaalsContact O-N 3.14Å
206	L	45.5	Very low	49.1	Very low	26 Å²	26	55.9 Å²	55.9	14%	0.136	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-39	175.5	-70.2	170.9	0	0	0	112.3	Q202 L203 E209 Q210	Q202-L206 PolarHBondContact O-N 2.85Å; L203-L206 HydrophobicContact CD2-CD1 4.42Å; L203-L206 PolarHBondContact O-N 2.74Å; L206-E209 PolarHBondContact O-N 3.17Å; L206-Q210 PolarHBondContact O-N 2.98Å
207	R	48	Very low	49.1	Very low	76 Å²	76	55.9 Å²	55.9	29%	0.287	30%	0.303	S	S	.	.	H	α-helix	trans	-62	-43	175.2	176.4	-173	160.5	-179.5	6.2	112.2	L203 N204 L205 E209 G211 V214 H262	L203-R207 WeakPolarHBondContact O-CB 3.37Å; L203-R207 PolarHBondContact O-N 3.36Å; N204-R207 WeakPolarHBondContact O-CB 3.39Å; N204-R207 PolarHBondContact O-N 3.43Å; L205-R207 VanDerWaalsContact C-N 3.33Å; L205-R207 PolarHBondContact O-N 2.92Å; R207-E209 VanDerWaalsContact C-N 3.34Å; R207-G211 PolarHBondContact O-N 3.41Å; R207-V214 HydrophobicContact CB-CG2 4.35Å; R207-V214 HydrophobicContact CG-CG2 4.03Å; R207-H262 PolarHBondContact NH2-NE2 3.47Å
208	E	51.1	Low	49.4	Very low	114 Å²	114	56.2 Å²	56.2	53%	0.533	30%	0.302	S	S	.	.	H	α-helix	trans	-66.3	-34.8	177.4	-74.5	-177.3	175.1	0	0	112.2	N204 L205 R261	N204-E208 WeakPolarHBondContact O-CG 3.44Å; N204-E208 PolarHBondContact O-N 3.28Å; L205-E208 PolarHBondContact O-N 3.27Å; E208-R261 IonicContact OE1-CZ 3.11Å; E208-R261 IonicContact OE1-NH1 3.88Å; E208-R261 PolarHBondContact OE1-NH1 2.94Å; E208-R261 IonicContact OE1-NH2 3.82Å; E208-R261 PolarHBondContact OE1-NH2 3.25Å
209	E	48	Very low	49.8	Very low	122 Å²	122	60.2 Å²	60.2	57%	0.57	32%	0.319	S	S	*	.	H	α-helix	trans	-83.6	-30.9	-177.2	-70.3	-169.3	150.2	0	0	114.3	R80 L205 L206 R207	R80-E209 IonicContact CZ-OE1 3.65Å; R80-E209 IonicContact NE-OE1 3.72Å; R80-E209 IonicContact NH2-OE1 2.69Å; R80-E209 PolarHBondContact NH2-OE1 3Å; L205-E209 PolarHBondContact O-N 3.26Å; L205-E209 VanDerWaalsContact O-N 3.14Å; L206-E209 PolarHBondContact O-N 3.17Å; R207-E209 VanDerWaalsContact C-N 3.34Å
210	Q	48.3	Very low	49.9	Very low	82 Å²	82	59.9 Å²	59.9	38%	0.383	32%	0.32	S	S	.	.	H	α-helix	trans	-118.4	-9.1	-166.5	-60.9	-168	1.8	0	0	116.8	D164 L206 Q212	D164-Q210 PolarHBondContact OD2-OE1 3.37Å; L206-Q210 PolarHBondContact O-N 2.98Å; Q210-Q212 HydrophobicContact CB-CG 4.19Å; Q210-Q212 PolarHBondContact O-N 3.47Å; Q210-Q212 VanDerWaalsContact O-N 3.17Å; Q210-Q212 VanDerWaalsContact OE1-NE2 3.08Å
211	G	46.3	Very low	50.1	Low	74 Å²	74	60.5 Å²	60.5	76%	0.763	32%	0.322	S	S	*	.			trans	61.2	23.9	176.1	0	0	0	0	0	115.6	R207	R207-G211 PolarHBondContact O-N 3.41Å
212	Q	49.5	Very low	50.3	Low	61 Å²	61	57.9 Å²	57.9	29%	0.285	31%	0.309	S	S	.	.			trans	-79.1	151.6	178.4	-64.7	-171.9	5.4	0	0	111.8	I167 Q210 V214	I167-Q212 HydrophobicContact CD1-CB 4.48Å; Q210-Q212 HydrophobicContact CB-CG 4.19Å; Q210-Q212 PolarHBondContact O-N 3.47Å; Q210-Q212 VanDerWaalsContact O-N 3.17Å; Q210-Q212 VanDerWaalsContact OE1-NE2 3.08Å; Q212-V214 VanDerWaalsContact O-CG2 3.25Å; Q212-V214 WeakPolarHBondContact O-CG2 3.44Å
213	S	49.2	Very low	50.5	Low	82 Å²	82	58.7 Å²	58.7	57%	0.573	31%	0.314	S	S	*	.			trans	-74.3	130	167.6	163.9	0	0	0	0	108.5	D215	S213-D215 PolarHBondContact OG-OD1 3.16Å
214	V	54.9	Low	50.6	Low	21 Å²	21	58.3 Å²	58.3	13%	0.127	31%	0.312	C	S	.	.			trans	-120.9	16.6	-167.7	-132.2	0	0	0	0	111.7	R207 Q212 D216 I217 E218	R207-V214 HydrophobicContact CB-CG2 4.35Å; R207-V214 HydrophobicContact CG-CG2 4.03Å; Q212-V214 VanDerWaalsContact O-CG2 3.25Å; Q212-V214 WeakPolarHBondContact O-CG2 3.44Å; V214-D216 VanDerWaalsContact C-N 3.31Å; V214-D216 PolarHBondContact O-N 2.87Å; V214-I217 HydrophobicContact CG1-CB 3.92Å; V214-I217 HydrophobicContact CG1-CD1 3.3Å; V214-I217 HydrophobicContact CG1-CG1 4.03Å; V214-I217 WeakPolarHBondContact O-CB 3.02Å; V214-I217 PolarHBondContact O-N 3.28Å; V214-E218 PolarHBondContact O-N 2.68Å
215	D	54.5	Low	50.7	Low	110 Å²	110	57.5 Å²	57.5	59%	0.588	31%	0.308	S	S	*	.	H	α-helix	trans	-57.1	-40.8	-166.5	-59.1	17.3	0	0	0	112.2	S213 E218 Q219	S213-D215 PolarHBondContact OG-OD1 3.16Å; D215-E218 PolarHBondContact O-N 2.82Å; D215-Q219 WeakPolarHBondContact O-CB 3.31Å; D215-Q219 PolarHBondContact O-N 3.43Å
216	D	49.3	Very low	50.9	Low	116 Å²	116	55.7 Å²	55.7	62%	0.62	30%	0.299	S	S	*	.	H	α-helix	trans	-68.8	-38.1	178.3	-69.9	-25.1	0	0	0	113	V214 S220	V214-D216 VanDerWaalsContact C-N 3.31Å; V214-D216 PolarHBondContact O-N 2.87Å; D216-S220 WeakPolarHBondContact O-CB 3.33Å; D216-S220 PolarHBondContact O-N 2.75Å; D216-S220 PolarHBondContact O-OG 3.46Å
217	I	49.9	Very low	51.2	Low	8 Å²	8	57 Å²	57	4%	0.041	31%	0.306	C	S	.	.	H	α-helix	trans	-66.6	-46.6	172.8	-66.1	170.7	0	0	0	109.2	I167 A170 S171 L174 L203 V214 Q219 S220 W221	I167-I217 HydrophobicContact CB-CD1 3.84Å; I167-I217 HydrophobicContact CG1-CD1 3.77Å; I167-I217 HydrophobicContact CG2-CD1 3.23Å; I167-I217 HydrophobicContact CG2-CG1 4.02Å; A170-I217 HydrophobicContact CB-CD1 4.49Å; S171-I217 WeakPolarHBondContact OG-CG1 3.21Å; L174-I217 HydrophobicContact CD1-CG2 3.92Å; L203-I217 HydrophobicContact CD1-CG2 3.34Å; L203-I217 HydrophobicContact CD2-CD1 3.51Å; L203-I217 HydrophobicContact CD2-CG2 4.22Å; L203-I217 HydrophobicContact CG-CG2 4.27Å; V214-I217 HydrophobicContact CG1-CB 3.92Å; V214-I217 HydrophobicContact CG1-CD1 3.3Å; V214-I217 HydrophobicContact CG1-CG1 4.03Å; V214-I217 WeakPolarHBondContact O-CB 3.02Å; V214-I217 PolarHBondContact O-N 3.28Å; I217-Q219 VanDerWaalsContact C-N 3.28Å; I217-Q219 PolarHBondContact O-N 3.47Å; I217-S220 PolarHBondContact O-N 3.35Å; I217-W221 VanDerWaalsContact O-CB 3.26Å; I217-W221 WeakPolarHBondContact O-CB 3.31Å; I217-W221 PolarHBondContact O-N 3.03Å
218	E	55	Low	51.4	Low	37 Å²	37	53.6 Å²	53.6	17%	0.173	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-44	-176.7	-165.4	-178.2	153	0	0	109.9	V214 D215 W221 R222 L260 H262	V214-E218 PolarHBondContact O-N 2.68Å; D215-E218 PolarHBondContact O-N 2.82Å; E218-W221 PolarHBondContact O-N 3.21Å; E218-R222 WeakPolarHBondContact O-CB 3.04Å; E218-R222 WeakPolarHBondContact O-CD 3.2Å; E218-R222 WeakPolarHBondContact O-CG 3.46Å; E218-R222 PolarHBondContact O-N 3.48Å; E218-R222 IonicContact OE1-CZ 2.74Å; E218-R222 IonicContact OE1-NE 3.55Å; E218-R222 PolarHBondContact OE1-NE 2.84Å; E218-R222 IonicContact OE1-NH2 3.32Å; E218-R222 PolarHBondContact OE1-NH2 3.45Å; E218-L260 HydrophobicContact CG-CD2 3.55Å; E218-H262 IonicContact OE2-CD2 2.72Å
219	Q	55.5	Low	51.4	Low	95 Å²	95	48.2 Å²	48.2	44%	0.444	27%	0.269	S	S	.	.	H	α-helix	trans	-64.4	-47.1	174.7	-171.1	59.7	45.4	0	0	112.3	D215 I217 W221 R222 D223	D215-Q219 WeakPolarHBondContact O-CB 3.31Å; D215-Q219 PolarHBondContact O-N 3.43Å; I217-Q219 VanDerWaalsContact C-N 3.28Å; I217-Q219 PolarHBondContact O-N 3.47Å; Q219-W221 PolarHBondContact O-N 3.24Å; Q219-R222 WeakPolarHBondContact O-CB 3.48Å; Q219-R222 PolarHBondContact O-N 2.97Å; Q219-D223 PolarHBondContact NE2-OD1 3.39Å; Q219-D223 VanDerWaalsContact O-CG 3.32Å; Q219-D223 PolarHBondContact O-N 2.97Å
220	S	50	Low	51.6	Low	20 Å²	20	50.3 Å²	50.3	14%	0.14	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-39	177.7	-59.8	0	0	0	0	111.5	D216 I217 I224	D216-S220 WeakPolarHBondContact O-CB 3.33Å; D216-S220 PolarHBondContact O-N 2.75Å; D216-S220 PolarHBondContact O-OG 3.46Å; I217-S220 PolarHBondContact O-N 3.35Å; S220-I224 WeakPolarHBondContact O-CD1 3.27Å; S220-I224 WeakPolarHBondContact O-CG1 3.33Å; S220-I224 PolarHBondContact O-N 3.08Å; S220-I224 VanDerWaalsContact O-N 3.12Å
221	W	54.2	Low	51.7	Low	13 Å²	13	48.4 Å²	48.4	5%	0.049	26%	0.262	C	S	.	.	H	α-helix	trans	-70.2	-44.4	178	-157.2	98.7	0	0	0	111.7	L174 L196 I217 E218 Q219 D223 I224 A225 I259	L174-W221 HydrophobicContact CD1-CB 4.45Å; L196-W221 PolarHBondContact O-NE1 3.13Å; I217-W221 VanDerWaalsContact O-CB 3.26Å; I217-W221 WeakPolarHBondContact O-CB 3.31Å; I217-W221 PolarHBondContact O-N 3.03Å; E218-W221 PolarHBondContact O-N 3.21Å; Q219-W221 PolarHBondContact O-N 3.24Å; W221-D223 VanDerWaalsContact C-N 3.32Å; W221-D223 PolarHBondContact O-N 3.19Å; W221-I224 PolarHBondContact O-N 3.36Å; W221-A225 HydrophobicContact CE3-CB 3.77Å; W221-A225 HydrophobicContact CH2-CB 3.9Å; W221-A225 HydrophobicContact CZ3-CB 3.32Å; W221-A225 WeakPolarHBondContact O-CB 3.16Å; W221-A225 PolarHBondContact O-N 3.17Å; W221-I259 HydrophobicContact CD2-CG2 4.32Å; W221-I259 HydrophobicContact CH2-CD1 3.97Å; W221-I259 HydrophobicContact CZ2-CD1 3.44Å; W221-I259 VanDerWaalsContact CZ2-CD1 3.44Å; W221-I259 HydrophobicContact CZ2-CG2 4.43Å
222	R	53.5	Low	52	Low	33 Å²	33	45.1 Å²	45.1	13%	0.125	23%	0.227	C	C	.	.	H	α-helix	trans	-55.6	-48	173.6	-74.6	164.3	177.8	-133.8	3	111.1	E218 Q219 I224 A225 L226 L260 D264 T267	E218-R222 WeakPolarHBondContact O-CB 3.04Å; E218-R222 WeakPolarHBondContact O-CD 3.2Å; E218-R222 WeakPolarHBondContact O-CG 3.46Å; E218-R222 PolarHBondContact O-N 3.48Å; E218-R222 IonicContact OE1-CZ 2.74Å; E218-R222 IonicContact OE1-NE 3.55Å; E218-R222 PolarHBondContact OE1-NE 2.84Å; E218-R222 IonicContact OE1-NH2 3.32Å; E218-R222 PolarHBondContact OE1-NH2 3.45Å; Q219-R222 WeakPolarHBondContact O-CB 3.48Å; Q219-R222 PolarHBondContact O-N 2.97Å; R222-I224 VanDerWaalsContact C-N 3.33Å; R222-I224 PolarHBondContact O-N 2.84Å; R222-A225 PolarHBondContact O-N 3.26Å; R222-L226 WeakPolarHBondContact O-CB 3.41Å; R222-L226 VanDerWaalsContact O-CG 3.27Å; R222-L226 WeakPolarHBondContact O-CG 3.08Å; R222-L226 PolarHBondContact O-N 3.3Å; R222-L260 HydrophobicContact CG-CD1 4.02Å; R222-L260 HydrophobicContact CG-CD2 3.64Å; R222-D264 IonicContact CZ-OD2 2.75Å; R222-D264 IonicContact NH1-OD2 3.39Å; R222-D264 PolarHBondContact NH1-OD2 3.35Å; R222-D264 IonicContact NH2-OD2 2.96Å; R222-T267 PolarHBondContact NH1-OG1 3.28Å
223	D	50.9	Low	52.1	Low	40 Å²	40	43.6 Å²	43.6	21%	0.214	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-45.4	179.5	-73	-2.2	0	0	0	111.2	K178 Q219 W221 L226 L227	K178-D223 HydrophobicContact CD-CB 4.13Å; K178-D223 IonicContact NZ-OD2 3.5Å; K178-D223 PolarHBondContact NZ-OD2 3.26Å; Q219-D223 PolarHBondContact NE2-OD1 3.39Å; Q219-D223 VanDerWaalsContact O-CG 3.32Å; Q219-D223 PolarHBondContact O-N 2.97Å; W221-D223 VanDerWaalsContact C-N 3.32Å; W221-D223 PolarHBondContact O-N 3.19Å; D223-L226 PolarHBondContact O-N 3.39Å; D223-L227 WeakPolarHBondContact O-CB 3.3Å; D223-L227 VanDerWaalsContact O-CG 3.25Å; D223-L227 WeakPolarHBondContact O-CG 3.31Å; D223-L227 PolarHBondContact O-N 3.48Å
224	I	50.5	Low	52.4	Low	3 Å²	3	43.6 Å²	43.6	2%	0.015	21%	0.208	C	C	.	.	H	α-helix	trans	-66.7	-44.5	179.2	-67.7	159.9	0	0	0	111.4	L174 K178 M181 L196 S220 W221 R222 L226 L227 T228	L174-I224 HydrophobicContact CB-CD1 3.52Å; L174-I224 HydrophobicContact CD2-CD1 3.58Å; L174-I224 HydrophobicContact CG-CD1 4.12Å; L174-I224 WeakPolarHBondContact O-CD1 3.34Å; K178-I224 HydrophobicContact CB-CD1 4.26Å; K178-I224 HydrophobicContact CB-CG1 3.72Å; K178-I224 HydrophobicContact CG-CG1 4.34Å; M181-I224 HydrophobicContact SD-CG2 4.32Å; L196-I224 HydrophobicContact CD1-CG2 3.23Å; L196-I224 HydrophobicContact CD2-CD1 4.31Å; L196-I224 HydrophobicContact CD2-CG2 3.91Å; L196-I224 HydrophobicContact CG-CG2 4.17Å; S220-I224 WeakPolarHBondContact O-CD1 3.27Å; S220-I224 WeakPolarHBondContact O-CG1 3.33Å; S220-I224 PolarHBondContact O-N 3.08Å; S220-I224 VanDerWaalsContact O-N 3.12Å; W221-I224 PolarHBondContact O-N 3.36Å; R222-I224 VanDerWaalsContact C-N 3.33Å; R222-I224 PolarHBondContact O-N 2.84Å; I224-L226 VanDerWaalsContact C-N 3.3Å; I224-L226 PolarHBondContact O-N 3.5Å; I224-L227 PolarHBondContact O-N 3.43Å; I224-T228 WeakPolarHBondContact O-CB 3.26Å; I224-T228 PolarHBondContact O-N 3.17Å; I224-T228 PolarHBondContact O-OG1 3.28Å
225	A	52.8	Low	52.3	Low	5 Å²	5	45.3 Å²	45.3	4%	0.041	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-37.8	179.7	0	0	0	0	0	111.6	W221 R222 G229 F271	W221-A225 HydrophobicContact CE3-CB 3.77Å; W221-A225 HydrophobicContact CH2-CB 3.9Å; W221-A225 HydrophobicContact CZ3-CB 3.32Å; W221-A225 WeakPolarHBondContact O-CB 3.16Å; W221-A225 PolarHBondContact O-N 3.17Å; R222-A225 PolarHBondContact O-N 3.26Å; A225-G229 PolarHBondContact O-N 3.37Å; A225-F271 HydrophobicContact CB-CZ 3.83Å
226	L	52.5	Low	52.2	Low	31 Å²	31	40.2 Å²	40.2	16%	0.162	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-51.1	171.5	-73.9	171.1	0	0	0	111.3	R222 D223 I224 T228 G229 W230 Q270 F271	R222-L226 WeakPolarHBondContact O-CB 3.41Å; R222-L226 VanDerWaalsContact O-CG 3.27Å; R222-L226 WeakPolarHBondContact O-CG 3.08Å; R222-L226 PolarHBondContact O-N 3.3Å; D223-L226 PolarHBondContact O-N 3.39Å; I224-L226 VanDerWaalsContact C-N 3.3Å; I224-L226 PolarHBondContact O-N 3.5Å; L226-T228 VanDerWaalsContact C-N 3.28Å; L226-T228 PolarHBondContact O-N 2.85Å; L226-G229 PolarHBondContact O-N 3.14Å; L226-W230 WeakPolarHBondContact O-CB 3.41Å; L226-W230 PolarHBondContact O-N 3.47Å; L226-Q270 HydrophobicContact CD2-CB 4.08Å; L226-F271 HydrophobicContact CD2-CE1 4.48Å; L226-F271 HydrophobicContact CD2-CZ 4.32Å
227	L	51.3	Low	52.4	Low	55 Å²	55	42.2 Å²	42.2	29%	0.288	19%	0.189	S	C	.	.	H	α-helix	trans	-57.7	-42.8	178.4	-75.4	167.7	0	0	0	111.9	K178 E182 D223 I224 W230 E231	K178-L227 HydrophobicContact CD-CD1 4.46Å; K178-L227 HydrophobicContact CG-CD1 3.66Å; E182-L227 HydrophobicContact CG-CD1 4.19Å; D223-L227 WeakPolarHBondContact O-CB 3.3Å; D223-L227 VanDerWaalsContact O-CG 3.25Å; D223-L227 WeakPolarHBondContact O-CG 3.31Å; D223-L227 PolarHBondContact O-N 3.48Å; I224-L227 PolarHBondContact O-N 3.43Å; L227-W230 PolarHBondContact O-N 2.96Å; L227-E231 WeakPolarHBondContact O-CB 3.43Å; L227-E231 PolarHBondContact O-N 3.33Å
228	T	51.8	Low	52.8	Low	3 Å²	3	47.5 Å²	47.5	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-46.8	175.9	-50.9	0	0	0	0	111.5	M181 M189 V193 I224 L226 W230 E231 L232 I252	M181-T228 HydrophobicContact CE-CG2 4.31Å; M181-T228 WeakPolarHBondContact CE-OG1 3.2Å; M189-T228 HydrophobicContact SD-CG2 4.05Å; V193-T228 HydrophobicContact CG2-CG2 3.22Å; I224-T228 WeakPolarHBondContact O-CB 3.26Å; I224-T228 PolarHBondContact O-N 3.17Å; I224-T228 PolarHBondContact O-OG1 3.28Å; L226-T228 VanDerWaalsContact C-N 3.28Å; L226-T228 PolarHBondContact O-N 2.85Å; T228-W230 PolarHBondContact O-N 2.63Å; T228-E231 PolarHBondContact O-N 3.46Å; T228-L232 HydrophobicContact CG2-CD1 4.14Å; T228-L232 WeakPolarHBondContact O-CB 3.14Å; T228-L232 PolarHBondContact O-N 2.9Å; T228-I252 HydrophobicContact CG2-CD1 4.34Å
229	G	51.9	Low	53.1	Low	2 Å²	2	50.4 Å²	50.4	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-43.8	176.6	0	0	0	0	0	112.4	A225 L226 L232 I233	A225-G229 PolarHBondContact O-N 3.37Å; L226-G229 PolarHBondContact O-N 3.14Å; G229-L232 PolarHBondContact O-N 3.44Å; G229-I233 WeakPolarHBondContact O-CD1 3.49Å; G229-I233 VanDerWaalsContact O-CG1 3.26Å; G229-I233 WeakPolarHBondContact O-CG1 3.26Å; G229-I233 PolarHBondContact O-N 2.9Å
230	W	51.4	Low	53	Low	166 Å²	166	47.5 Å²	47.5	63%	0.629	23%	0.226	S	C	*	.	H	α-helix	trans	-60.7	-45.7	176.4	-87.9	104	0	0	0	112.8	L226 L227 T228 L232 I233 R234	L226-W230 WeakPolarHBondContact O-CB 3.41Å; L226-W230 PolarHBondContact O-N 3.47Å; L227-W230 PolarHBondContact O-N 2.96Å; T228-W230 PolarHBondContact O-N 2.63Å; W230-L232 VanDerWaalsContact C-N 3.35Å; W230-I233 PolarHBondContact O-N 2.74Å; W230-R234 PolarHBondContact O-N 3.5Å
231	E	51.2	Low	53	Low	41 Å²	41	50.2 Å²	50.2	19%	0.192	24%	0.238	C	C	.	.	H	α-helix	trans	-67.9	-35.5	179.6	180	57.6	-159.5	0	0	111.7	M189 L227 T228 R234 R235	M189-E231 HydrophobicContact CE-CB 4.19Å; M189-E231 HydrophobicContact CE-CG 3.68Å; M189-E231 HydrophobicContact CG-CG 4.28Å; M189-E231 HydrophobicContact SD-CB 3.6Å; M189-E231 HydrophobicContact SD-CG 3.44Å; M189-E231 WeakPolarHBondContact SD-CG 3.35Å; L227-E231 WeakPolarHBondContact O-CB 3.43Å; L227-E231 PolarHBondContact O-N 3.33Å; T228-E231 PolarHBondContact O-N 3.46Å; E231-R234 WeakPolarHBondContact O-CB 3.26Å; E231-R234 PolarHBondContact O-N 2.81Å; E231-R234 IonicContact OE1-CZ 2.67Å; E231-R234 IonicContact OE1-NE 3.65Å; E231-R234 PolarHBondContact OE1-NE 2.78Å; E231-R234 IonicContact OE1-NH2 3.57Å; E231-R234 PolarHBondContact OE1-NH2 3.22Å; E231-R234 IonicContact OE2-CZ 2.93Å; E231-R234 IonicContact OE2-NE 2.67Å; E231-R234 PolarHBondContact OE2-NE 2.71Å; E231-R234 IonicContact OE2-NH2 3.42Å; E231-R234 PolarHBondContact OE2-NH2 3.44Å; E231-R235 PolarHBondContact O-N 3.43Å; E231-R235 IonicContact OE1-CZ 3.72Å; E231-R235 IonicContact OE1-NE 3.33Å; E231-R235 PolarHBondContact OE1-NE 3.21Å; E231-R235 IonicContact OE1-NH2 3.79Å
232	L	52.5	Low	53	Low	6 Å²	6	54.3 Å²	54.3	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-60.2	-47.1	170.7	-85.7	158.2	0	0	0	112.1	M189 T228 G229 W230 R234 R235 C236 I252	M189-L232 HydrophobicContact CE-CB 4.25Å; M189-L232 HydrophobicContact CE-CD2 3.77Å; M189-L232 HydrophobicContact CE-CG 3.55Å; M189-L232 HydrophobicContact SD-CG 3.86Å; T228-L232 HydrophobicContact CG2-CD1 4.14Å; T228-L232 WeakPolarHBondContact O-CB 3.14Å; T228-L232 PolarHBondContact O-N 2.9Å; G229-L232 PolarHBondContact O-N 3.44Å; W230-L232 VanDerWaalsContact C-N 3.35Å; L232-R234 VanDerWaalsContact C-N 3.3Å; L232-R234 PolarHBondContact O-N 2.8Å; L232-R235 PolarHBondContact O-N 3.33Å; L232-C236 WeakPolarHBondContact O-CB 3.06Å; L232-C236 PolarHBondContact O-N 2.82Å; L232-C236 PolarHBondContact O-SG 3.19Å; L232-I252 HydrophobicContact CD1-CD1 3.09Å; L232-I252 HydrophobicContact CG-CD1 4.5Å
233	I	51.1	Low	52.9	Low	29 Å²	29	60.4 Å²	60.4	15%	0.149	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-44	175.3	-62.5	159.5	0	0	0	110.6	G229 W230 R235 C236 K237 V274 L278	G229-I233 WeakPolarHBondContact O-CD1 3.49Å; G229-I233 VanDerWaalsContact O-CG1 3.26Å; G229-I233 WeakPolarHBondContact O-CG1 3.26Å; G229-I233 PolarHBondContact O-N 2.9Å; W230-I233 PolarHBondContact O-N 2.74Å; I233-R235 PolarHBondContact O-N 3.47Å; I233-C236 WeakPolarHBondContact O-CB 3.01Å; I233-C236 PolarHBondContact O-N 2.83Å; I233-K237 WeakPolarHBondContact O-CB 3.28Å; I233-K237 PolarHBondContact O-N 2.94Å; I233-V274 HydrophobicContact CD1-CB 3.81Å; I233-V274 HydrophobicContact CD1-CG1 3.28Å; I233-V274 HydrophobicContact CD1-CG2 3.56Å; I233-V274 HydrophobicContact CG1-CG1 3.89Å; I233-L278 HydrophobicContact CB-CD2 4.47Å; I233-L278 HydrophobicContact CG1-CD1 4.08Å; I233-L278 HydrophobicContact CG1-CD2 4.1Å; I233-L278 HydrophobicContact CG1-CG 4.22Å; I233-L278 HydrophobicContact CG2-CD2 4.28Å
234	R	55.6	Low	52.9	Low	82 Å²	82	65.1 Å²	65.1	31%	0.309	30%	0.301	S	S	.	.	H	α-helix	trans	-58.1	-49	179	-170.6	-175.5	71.9	93.9	-6.1	110.5	W230 E231 L232 K237 E238	W230-R234 PolarHBondContact O-N 3.5Å; E231-R234 WeakPolarHBondContact O-CB 3.26Å; E231-R234 PolarHBondContact O-N 2.81Å; E231-R234 IonicContact OE1-CZ 2.67Å; E231-R234 IonicContact OE1-NE 3.65Å; E231-R234 PolarHBondContact OE1-NE 2.78Å; E231-R234 IonicContact OE1-NH2 3.57Å; E231-R234 PolarHBondContact OE1-NH2 3.22Å; E231-R234 IonicContact OE2-CZ 2.93Å; E231-R234 IonicContact OE2-NE 2.67Å; E231-R234 PolarHBondContact OE2-NE 2.71Å; E231-R234 IonicContact OE2-NH2 3.42Å; E231-R234 PolarHBondContact OE2-NH2 3.44Å; L232-R234 VanDerWaalsContact C-N 3.3Å; L232-R234 PolarHBondContact O-N 2.8Å; R234-K237 WeakPolarHBondContact O-CB 3.25Å; R234-K237 PolarHBondContact O-N 3.43Å; R234-K237 VanDerWaalsContact O-N 3.14Å; R234-E238 WeakPolarHBondContact CG-OE1 3.4Å; R234-E238 IonicContact CZ-OE1 3.41Å; R234-E238 IonicContact CZ-OE2 3.99Å; R234-E238 IonicContact NH1-OE1 3.2Å; R234-E238 PolarHBondContact NH1-OE1 3.04Å; R234-E238 IonicContact NH1-OE2 3.91Å; R234-E238 PolarHBondContact NH1-OE2 3.38Å; R234-E238 WeakPolarHBondContact O-CG 3.2Å; R234-E238 PolarHBondContact O-N 3.46Å
235	R	52.6	Low	52.9	Low	57 Å²	57	65.3 Å²	65.3	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-66.3	-39.6	176.5	-68.8	-167.6	-174.3	-173.3	3.2	112.9	D185 V187 M189 E231 L232 I233 K237 E238 D239	D185-R235 PolarHBondContact O-NH2 2.92Å; V187-R235 PolarHBondContact O-NH2 2.87Å; M189-R235 HydrophobicContact CE-CG 4.46Å; E231-R235 PolarHBondContact O-N 3.43Å; E231-R235 IonicContact OE1-CZ 3.72Å; E231-R235 IonicContact OE1-NE 3.33Å; E231-R235 PolarHBondContact OE1-NE 3.21Å; E231-R235 IonicContact OE1-NH2 3.79Å; L232-R235 PolarHBondContact O-N 3.33Å; I233-R235 PolarHBondContact O-N 3.47Å; R235-K237 PolarHBondContact O-N 3.27Å; R235-E238 PolarHBondContact O-N 3.31Å; R235-D239 WeakPolarHBondContact O-CB 3.24Å; R235-D239 PolarHBondContact O-N 2.97Å
236	C	52.2	Low	52.9	Low	3 Å²	3	67.4 Å²	67.4	2%	0.02	31%	0.312	C	S	.	.	H	α-helix	trans	-56	-37.9	171	-76.5	0	0	0	0	112.1	L232 I233 G240 L241 H245 L278	L232-C236 WeakPolarHBondContact O-CB 3.06Å; L232-C236 PolarHBondContact O-N 2.82Å; L232-C236 PolarHBondContact O-SG 3.19Å; I233-C236 WeakPolarHBondContact O-CB 3.01Å; I233-C236 PolarHBondContact O-N 2.83Å; C236-G240 CarbonylContact O-C 3.38Å; C236-G240 VanDerWaalsContact O-CA 3.24Å; C236-G240 WeakPolarHBondContact O-CA 3.49Å; C236-G240 PolarHBondContact O-N 3.23Å; C236-L241 HydrophobicContact CB-CD2 3.82Å; C236-L241 HydrophobicContact CB-CG 4Å; C236-L241 PolarHBondContact O-N 2.96Å; C236-L241 VanDerWaalsContact O-N 3.08Å; C236-H245 WeakPolarHBondContact SG-CB 3.49Å; C236-L278 HydrophobicContact CB-CD2 4.28Å
237	K	53.9	Low	52.8	Low	158 Å²	158	70.3 Å²	70.3	69%	0.687	33%	0.328	S	S	*	.	H	α-helix	trans	-74.9	-36.7	177.7	-172.5	-177.7	176.6	-174	0	112.5	I233 R234 R235	I233-K237 WeakPolarHBondContact O-CB 3.28Å; I233-K237 PolarHBondContact O-N 2.94Å; R234-K237 WeakPolarHBondContact O-CB 3.25Å; R234-K237 PolarHBondContact O-N 3.43Å; R234-K237 VanDerWaalsContact O-N 3.14Å; R235-K237 PolarHBondContact O-N 3.27Å
238	E	59.5	Low	52.7	Low	118 Å²	118	70.2 Å²	70.2	55%	0.551	33%	0.327	S	S	*	.	H	α-helix	trans	-77.5	-45.7	-179.7	-73.4	173.7	-171.3	0	0	112.9	R234 R235	R234-E238 WeakPolarHBondContact CG-OE1 3.4Å; R234-E238 IonicContact CZ-OE1 3.41Å; R234-E238 IonicContact CZ-OE2 3.99Å; R234-E238 IonicContact NH1-OE1 3.2Å; R234-E238 PolarHBondContact NH1-OE1 3.04Å; R234-E238 IonicContact NH1-OE2 3.91Å; R234-E238 PolarHBondContact NH1-OE2 3.38Å; R234-E238 WeakPolarHBondContact O-CG 3.2Å; R234-E238 PolarHBondContact O-N 3.46Å; R235-E238 PolarHBondContact O-N 3.31Å
239	D	60.2	Low	52.6	Low	98 Å²	98	70.3 Å²	70.3	52%	0.524	33%	0.328	S	S	.	.	H	α-helix	trans	-85.2	-9.5	-177.5	-71.7	-18.4	0	0	0	113.6	R235	R235-D239 WeakPolarHBondContact O-CB 3.24Å; R235-D239 PolarHBondContact O-N 2.97Å
240	G	53.8	Low	52.6	Low	35 Å²	35	78 Å²	78	36%	0.361	36%	0.357	S	S	.	.			trans	78.2	141.3	-161.2	0	0	0	0	0	111.7	C236 K242	C236-G240 CarbonylContact O-C 3.38Å; C236-G240 VanDerWaalsContact O-CA 3.24Å; C236-G240 WeakPolarHBondContact O-CA 3.49Å; C236-G240 PolarHBondContact O-N 3.23Å; G240-K242 PolarHBondContact O-N 3.09Å
241	L	49.1	Very low	52.6	Low	76 Å²	76	75.1 Å²	75.1	40%	0.398	35%	0.354	S	S	.	.			trans	-62.2	109.7	177.1	-91.1	154.6	0	0	0	109.2	C236 L246 L278	C236-L241 HydrophobicContact CB-CD2 3.82Å; C236-L241 HydrophobicContact CB-CG 4Å; C236-L241 PolarHBondContact O-N 2.96Å; C236-L241 VanDerWaalsContact O-N 3.08Å; L241-L246 HydrophobicContact CD2-CD1 4.29Å; L241-L246 HydrophobicContact CD2-CD2 3.59Å; L241-L246 HydrophobicContact CD2-CG 3.74Å; L241-L278 HydrophobicContact CD2-CD2 4.01Å
242	K	55.5	Low	52.5	Low	100 Å²	100	73.8 Å²	73.8	44%	0.435	35%	0.348	S	S	.	.			trans	-98.9	142.2	167.6	-64.2	178.3	-177.2	170.9	0	107.3	G240 R244 H245	G240-K242 PolarHBondContact O-N 3.09Å; K242-R244 HydrophobicContact CB-CG 4.05Å; K242-R244 PolarHBondContact O-N 3.36Å; K242-R244 VanDerWaalsContact O-N 3.14Å; K242-H245 WeakPolarHBondContact O-CA 3.36Å; K242-H245 WeakPolarHBondContact O-CB 3.48Å; K242-H245 PolarHBondContact O-N 2.69Å
243	E	49.6	Very low	52.4	Low	161 Å²	161	74.4 Å²	74.4	75%	0.752	35%	0.351	S	S	*	.	H	α-helix	trans	-48	-43.8	-179.6	-164.8	172.9	-169.5	0	0	112.3	H245 L246 D247	E243-H245 PolarHBondContact O-N 2.94Å; E243-H245 VanDerWaalsContact O-N 3.12Å; E243-L246 WeakPolarHBondContact O-CB 3.46Å; E243-L246 PolarHBondContact O-N 2.67Å; E243-D247 PolarHBondContact O-N 3.2Å; E243-D247 VanDerWaalsContact O-N 3.15Å
244	R	52.3	Low	52.5	Low	139 Å²	139	76.8 Å²	76.8	53%	0.525	36%	0.364	S	S	.	.	H	α-helix	trans	-56.5	-28.7	174	71.4	-178.2	-173.3	179.7	3.7	114.8	K242 N248	K242-R244 HydrophobicContact CB-CG 4.05Å; K242-R244 PolarHBondContact O-N 3.36Å; K242-R244 VanDerWaalsContact O-N 3.14Å; R244-N248 WeakPolarHBondContact O-CB 3.41Å; R244-N248 VanDerWaalsContact O-CG 3.27Å; R244-N248 PolarHBondContact O-N 3.05Å; R244-N248 PolarHBondContact O-ND2 2.93Å
245	H	50.6	Low	52.3	Low	6 Å²	6	73.7 Å²	73.7	3%	0.028	36%	0.355	C	S	.	.	H	α-helix	trans	-78.9	-30.2	179.2	-54	160.3	0	0	0	111.3	Y190 C236 K242 E243 T249	Y190-H245 PolarHBondContact OH-CD2 2.95Å; C236-H245 WeakPolarHBondContact SG-CB 3.49Å; K242-H245 WeakPolarHBondContact O-CA 3.36Å; K242-H245 WeakPolarHBondContact O-CB 3.48Å; K242-H245 PolarHBondContact O-N 2.69Å; E243-H245 PolarHBondContact O-N 2.94Å; E243-H245 VanDerWaalsContact O-N 3.12Å; H245-T249 WeakPolarHBondContact O-CB 3.43Å; H245-T249 PolarHBondContact O-N 3.42Å; H245-T249 PolarHBondContact O-OG1 3.36Å
246	L	51.7	Low	52.1	Low	50 Å²	50	71 Å²	71	26%	0.262	34%	0.344	S	S	.	.	H	α-helix	trans	-71	-47.3	175	-72.7	170.5	0	0	0	111.4	L241 E243 N248 T249 R250 L278	L241-L246 HydrophobicContact CD2-CD1 4.29Å; L241-L246 HydrophobicContact CD2-CD2 3.59Å; L241-L246 HydrophobicContact CD2-CG 3.74Å; E243-L246 WeakPolarHBondContact O-CB 3.46Å; E243-L246 PolarHBondContact O-N 2.67Å; L246-N248 VanDerWaalsContact C-N 3.32Å; L246-N248 PolarHBondContact O-N 3.41Å; L246-T249 PolarHBondContact O-N 2.92Å; L246-R250 WeakPolarHBondContact O-CB 3.02Å; L246-R250 PolarHBondContact O-N 3.32Å; L246-L278 HydrophobicContact CD2-CB 4.1Å
247	D	51.6	Low	52	Low	91 Å²	91	73.6 Å²	73.6	49%	0.487	36%	0.358	S	S	.	.	H	α-helix	trans	-57.1	-46.4	177.2	-71.7	-24.5	0	0	0	111.2	E243 T249 R250 D251	E243-D247 PolarHBondContact O-N 3.2Å; E243-D247 VanDerWaalsContact O-N 3.15Å; D247-T249 PolarHBondContact O-N 3.42Å; D247-R250 WeakPolarHBondContact O-CB 3.4Å; D247-R250 PolarHBondContact O-N 2.96Å; D247-D251 PolarHBondContact O-N 3.38Å
248	N	48.2	Very low	51.9	Low	53 Å²	53	75 Å²	75	28%	0.283	36%	0.359	S	S	.	.	H	α-helix	trans	-66.2	-39	178.2	-73.2	-41.2	0	0	0	112.8	Y190 R244 L246 R250 D251 I252	Y190-N248 HydrophobicContact CE1-CB 4.18Å; Y190-N248 VanDerWaalsContact CE1-ND2 3.25Å; Y190-N248 WeakPolarHBondContact CE1-ND2 3.44Å; R244-N248 WeakPolarHBondContact O-CB 3.41Å; R244-N248 VanDerWaalsContact O-CG 3.27Å; R244-N248 PolarHBondContact O-N 3.05Å; R244-N248 PolarHBondContact O-ND2 2.93Å; L246-N248 VanDerWaalsContact C-N 3.32Å; L246-N248 PolarHBondContact O-N 3.41Å; N248-R250 VanDerWaalsContact C-N 3.3Å; N248-R250 PolarHBondContact O-N 3.18Å; N248-D251 PolarHBondContact O-N 3.43Å; N248-I252 VanDerWaalsContact O-CD1 3.28Å; N248-I252 WeakPolarHBondContact O-CD1 3.19Å; N248-I252 VanDerWaalsContact O-CG1 3.25Å; N248-I252 WeakPolarHBondContact O-CG1 3.19Å; N248-I252 PolarHBondContact O-N 3.22Å
249	T	49.1	Very low	51.3	Low	5 Å²	5	70.1 Å²	70.1	3%	0.031	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-41	175.5	-57.4	0	0	0	0	110.5	H245 L246 D247 I252 I253 L278	H245-T249 WeakPolarHBondContact O-CB 3.43Å; H245-T249 PolarHBondContact O-N 3.42Å; H245-T249 PolarHBondContact O-OG1 3.36Å; L246-T249 PolarHBondContact O-N 2.92Å; D247-T249 PolarHBondContact O-N 3.42Å; T249-I252 PolarHBondContact O-N 2.83Å; T249-I253 HydrophobicContact CG2-CD1 3.9Å; T249-I253 HydrophobicContact CG2-CG1 4.44Å; T249-I253 VanDerWaalsContact O-CG1 3.24Å; T249-I253 WeakPolarHBondContact O-CG1 3.1Å; T249-I253 PolarHBondContact O-N 2.96Å; T249-L278 HydrophobicContact CG2-CD1 3.83Å
250	R	52.3	Low	50.6	Low	165 Å²	165	65.8 Å²	65.8	62%	0.623	31%	0.313	S	S	*	.	H	α-helix	trans	-63	-45.4	175.7	-175.7	179.7	-178.9	162.8	2.7	111.6	L246 D247 N248 I252 I253 D254	L246-R250 WeakPolarHBondContact O-CB 3.02Å; L246-R250 PolarHBondContact O-N 3.32Å; D247-R250 WeakPolarHBondContact O-CB 3.4Å; D247-R250 PolarHBondContact O-N 2.96Å; N248-R250 VanDerWaalsContact C-N 3.3Å; N248-R250 PolarHBondContact O-N 3.18Å; R250-I252 VanDerWaalsContact C-N 3.27Å; R250-I252 PolarHBondContact O-N 3.34Å; R250-I253 PolarHBondContact O-N 2.89Å; R250-D254 IonicContact NE-OD2 3.76Å; R250-D254 VanDerWaalsContact O-CB 3.32Å; R250-D254 WeakPolarHBondContact O-CB 2.93Å; R250-D254 PolarHBondContact O-N 2.91Å
251	D	52.4	Low	50.5	Low	105 Å²	105	71.5 Å²	71.5	56%	0.561	32%	0.324	S	S	*	.	H	α-helix	trans	-60.4	-37.4	177.3	-77.4	-14.9	0	0	0	111.9	D247 N248 S255	D247-D251 PolarHBondContact O-N 3.38Å; N248-D251 PolarHBondContact O-N 3.43Å; D251-S255 WeakPolarHBondContact O-CB 3.14Å; D251-S255 PolarHBondContact O-N 2.91Å
252	I	49.1	Very low	50.3	Low	13 Å²	13	72.5 Å²	72.5	7%	0.067	33%	0.326	C	S	.	.	H	α-helix	trans	-68.5	-44.6	176	-70	159.6	0	0	0	111.8	V193 T228 L232 N248 T249 R250 G256	V193-I252 HydrophobicContact CB-CD1 4.16Å; V193-I252 HydrophobicContact CB-CG1 4.26Å; V193-I252 HydrophobicContact CG1-CD1 3.7Å; V193-I252 HydrophobicContact CG1-CG1 3.33Å; V193-I252 HydrophobicContact CG2-CD1 3.41Å; V193-I252 VanDerWaalsContact CG2-CD1 3.41Å; V193-I252 HydrophobicContact CG2-CG1 3.88Å; T228-I252 HydrophobicContact CG2-CD1 4.34Å; L232-I252 HydrophobicContact CD1-CD1 3.09Å; L232-I252 HydrophobicContact CG-CD1 4.5Å; N248-I252 VanDerWaalsContact O-CD1 3.28Å; N248-I252 WeakPolarHBondContact O-CD1 3.19Å; N248-I252 VanDerWaalsContact O-CG1 3.25Å; N248-I252 WeakPolarHBondContact O-CG1 3.19Å; N248-I252 PolarHBondContact O-N 3.22Å; T249-I252 PolarHBondContact O-N 2.83Å; R250-I252 VanDerWaalsContact C-N 3.27Å; R250-I252 PolarHBondContact O-N 3.34Å; I252-G256 PolarHBondContact O-N 2.7Å
253	I	50.4	Low	49.7	Very low	19 Å²	19	78.5 Å²	78.5	10%	0.097	35%	0.346	C	S	.	.	H	α-helix	trans	-63.6	-50.3	177	-68.1	172.4	0	0	0	109.5	T249 R250 S255 G256 L257 F271 V274 A275	T249-I253 HydrophobicContact CG2-CD1 3.9Å; T249-I253 HydrophobicContact CG2-CG1 4.44Å; T249-I253 VanDerWaalsContact O-CG1 3.24Å; T249-I253 WeakPolarHBondContact O-CG1 3.1Å; T249-I253 PolarHBondContact O-N 2.96Å; R250-I253 PolarHBondContact O-N 2.89Å; I253-S255 VanDerWaalsContact C-N 3.33Å; I253-S255 PolarHBondContact O-N 3.46Å; I253-G256 PolarHBondContact O-N 3.32Å; I253-L257 HydrophobicContact CG2-CD1 3.78Å; I253-L257 HydrophobicContact CG2-CG 4.16Å; I253-L257 WeakPolarHBondContact O-CB 3.28Å; I253-L257 WeakPolarHBondContact O-CG 3.15Å; I253-L257 PolarHBondContact O-N 2.81Å; I253-F271 HydrophobicContact CB-CD1 4.45Å; I253-F271 HydrophobicContact CD1-CB 4.48Å; I253-F271 HydrophobicContact CD1-CD1 4.24Å; I253-F271 HydrophobicContact CG1-CB 4.34Å; I253-F271 HydrophobicContact CG1-CD1 3.59Å; I253-F271 HydrophobicContact CG1-CE1 4.17Å; I253-F271 HydrophobicContact CG1-CG 4.2Å; I253-F271 HydrophobicContact CG2-CB 3.98Å; I253-F271 HydrophobicContact CG2-CD1 4.46Å; I253-F271 HydrophobicContact CG2-CG 4.25Å; I253-V274 HydrophobicContact CD1-CG1 4.42Å; I253-A275 HydrophobicContact CD1-CB 4.31Å
254	D	53.2	Low	49.6	Very low	79 Å²	79	73.2 Å²	73.2	42%	0.422	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-42	-179.7	-79.6	-15.6	0	0	0	110.8	R250 R258	R250-D254 IonicContact NE-OD2 3.76Å; R250-D254 VanDerWaalsContact O-CB 3.32Å; R250-D254 WeakPolarHBondContact O-CB 2.93Å; R250-D254 PolarHBondContact O-N 2.91Å; D254-R258 WeakPolarHBondContact O-CB 3.19Å; D254-R258 PolarHBondContact O-N 3.23Å
255	S	50.9	Low	49.1	Very low	17 Å²	17	70.9 Å²	70.9	12%	0.119	32%	0.324	C	S	.	.	H	α-helix	trans	-60.4	-49.3	172.9	179.3	0	0	0	0	111.6	T197 D251 I253 L257 R258 I259	T197-S255 WeakPolarHBondContact CG2-OG 3.02Å; T197-S255 PolarHBondContact OG1-OG 3.21Å; D251-S255 WeakPolarHBondContact O-CB 3.14Å; D251-S255 PolarHBondContact O-N 2.91Å; I253-S255 VanDerWaalsContact C-N 3.33Å; I253-S255 PolarHBondContact O-N 3.46Å; S255-L257 PolarHBondContact O-N 3.29Å; S255-R258 PolarHBondContact O-N 3.19Å; S255-I259 WeakPolarHBondContact O-CB 3.26Å; S255-I259 VanDerWaalsContact O-CG1 3.26Å; S255-I259 WeakPolarHBondContact O-CG1 3.47Å; S255-I259 PolarHBondContact O-N 3.44Å; S255-I259 WeakPolarHBondContact OG-CD1 3.38Å
256	G	49.1	Very low	49	Very low	0 Å²	0	76.4 Å²	76.4	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64	-40.9	178.9	0	0	0	0	0	113.7	I252 I253 I259 L260	I252-G256 PolarHBondContact O-N 2.7Å; I253-G256 PolarHBondContact O-N 3.32Å; G256-I259 PolarHBondContact O-N 3.3Å; G256-L260 WeakPolarHBondContact O-CB 3.24Å; G256-L260 WeakPolarHBondContact O-CG 3.42Å; G256-L260 PolarHBondContact O-N 3.2Å
257	L	49.6	Very low	48.9	Very low	57 Å²	57	74.4 Å²	74.4	30%	0.298	34%	0.339	S	S	.	.	H	α-helix	trans	-65.4	-39.8	173.8	-69.1	-179	0	0	0	112	I253 S255 R261 V268 F271	I253-L257 HydrophobicContact CG2-CD1 3.78Å; I253-L257 HydrophobicContact CG2-CG 4.16Å; I253-L257 WeakPolarHBondContact O-CB 3.28Å; I253-L257 WeakPolarHBondContact O-CG 3.15Å; I253-L257 PolarHBondContact O-N 2.81Å; S255-L257 PolarHBondContact O-N 3.29Å; L257-R261 PolarHBondContact O-N 3.49Å; L257-V268 HydrophobicContact CD2-CB 4.34Å; L257-V268 HydrophobicContact CD2-CG2 3.52Å; L257-F271 HydrophobicContact CD2-CD2 4.47Å
258	R	52.6	Low	48.5	Very low	189 Å²	189	72.6 Å²	72.6	71%	0.713	33%	0.331	S	S	*	.	H	α-helix	trans	-67	-39.5	177.2	-167	-177.5	-144.4	-179.9	7.4	111.7	D254 S255 R261	D254-R258 WeakPolarHBondContact O-CB 3.19Å; D254-R258 PolarHBondContact O-N 3.23Å; S255-R258 PolarHBondContact O-N 3.19Å; R258-R261 VanDerWaalsContact O-CG 3.28Å; R258-R261 WeakPolarHBondContact O-CG 3.29Å
259	I	45.6	Very low	48.4	Very low	15 Å²	15	75.4 Å²	75.4	8%	0.077	34%	0.343	C	S	.	.	H	α-helix	trans	-71.5	-44.8	-179.5	-73.7	164.4	0	0	0	110.6	N204 W221 S255 G256 R261	N204-I259 VanDerWaalsContact ND2-CA 3.26Å; N204-I259 WeakPolarHBondContact ND2-CA 3.05Å; N204-I259 PolarHBondContact ND2-O 3.01Å; N204-I259 PolarHBondContact OD1-O 2.92Å; W221-I259 HydrophobicContact CD2-CG2 4.32Å; W221-I259 HydrophobicContact CH2-CD1 3.97Å; W221-I259 HydrophobicContact CZ2-CD1 3.44Å; W221-I259 VanDerWaalsContact CZ2-CD1 3.44Å; W221-I259 HydrophobicContact CZ2-CG2 4.43Å; S255-I259 WeakPolarHBondContact O-CB 3.26Å; S255-I259 VanDerWaalsContact O-CG1 3.26Å; S255-I259 WeakPolarHBondContact O-CG1 3.47Å; S255-I259 PolarHBondContact O-N 3.44Å; S255-I259 WeakPolarHBondContact OG-CD1 3.38Å; G256-I259 PolarHBondContact O-N 3.3Å; I259-R261 PolarHBondContact O-N 2.74Å
260	L	45.7	Very low	48.4	Very low	6 Å²	6	79 Å²	79	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-62.5	-33.5	-178.5	-69.9	170.4	0	0	0	111.3	E218 R222 G256 H262 T267	E218-L260 HydrophobicContact CG-CD2 3.55Å; R222-L260 HydrophobicContact CG-CD1 4.02Å; R222-L260 HydrophobicContact CG-CD2 3.64Å; G256-L260 WeakPolarHBondContact O-CB 3.24Å; G256-L260 WeakPolarHBondContact O-CG 3.42Å; G256-L260 PolarHBondContact O-N 3.2Å; L260-H262 PolarHBondContact O-CD2 2.89Å; L260-H262 PolarHBondContact O-N 3.13Å; L260-T267 HydrophobicContact CD1-CG2 3.76Å
261	R	51.5	Low	48.1	Very low	156 Å²	156	71.3 Å²	71.3	59%	0.589	33%	0.33	S	S	*	.			trans	49.3	-14.5	-173.1	-73	-162.9	-179.7	171.9	8.8	115.5	E208 L257 R258 I259	E208-R261 IonicContact OE1-CZ 3.11Å; E208-R261 IonicContact OE1-NH1 3.88Å; E208-R261 PolarHBondContact OE1-NH1 2.94Å; E208-R261 IonicContact OE1-NH2 3.82Å; E208-R261 PolarHBondContact OE1-NH2 3.25Å; L257-R261 PolarHBondContact O-N 3.49Å; R258-R261 VanDerWaalsContact O-CG 3.28Å; R258-R261 WeakPolarHBondContact O-CG 3.29Å; I259-R261 PolarHBondContact O-N 2.74Å
262	H	46.4	Very low	47.7	Very low	96 Å²	96	68.6 Å²	68.6	44%	0.444	32%	0.323	S	S	.	.	S	Bend	trans	-90	111.8	170.2	-71.4	-61.8	0	0	0	105.8	R207 E218 L260 D264	R207-H262 PolarHBondContact NH2-NE2 3.47Å; E218-H262 IonicContact OE2-CD2 2.72Å; L260-H262 PolarHBondContact O-CD2 2.89Å; L260-H262 PolarHBondContact O-N 3.13Å; H262-D264 PolarHBondContact O-N 3.25Å
263	R	40.9	Very low	47.5	Very low	227 Å²	227	72.5 Å²	72.5	86%	0.857	35%	0.347	S	S	*	.			trans	-64.7	61.9	162.3	-61.6	177.4	179.5	-176	-1.3	108.5	V265	R263-V265 PolarHBondContact O-N 3.04Å
264	D	49.1	Very low	47.3	Very low	49 Å²	49	72.1 Å²	72.1	26%	0.262	35%	0.346	S	S	.	.			trans	-62.9	102.3	161.2	-173.3	-13.5	0	0	0	105.5	R222 H262 Q266 T267 V268	R222-D264 IonicContact CZ-OD2 2.75Å; R222-D264 IonicContact NH1-OD2 3.39Å; R222-D264 PolarHBondContact NH1-OD2 3.35Å; R222-D264 IonicContact NH2-OD2 2.96Å; H262-D264 PolarHBondContact O-N 3.25Å; D264-Q266 PolarHBondContact O-N 2.91Å; D264-Q266 VanDerWaalsContact O-N 3.13Å; D264-Q266 VanDerWaalsContact OD1-CB 3.27Å; D264-Q266 WeakPolarHBondContact OD1-CB 3.32Å; D264-Q266 PolarHBondContact OD1-N 3.34Å; D264-T267 PolarHBondContact O-N 3.35Å; D264-T267 VanDerWaalsContact O-N 3.1Å; D264-T267 PolarHBondContact OD2-OG1 3.14Å; D264-V268 WeakPolarHBondContact O-CG2 3.42Å; D264-V268 PolarHBondContact O-N 3.08Å
265	V	41.7	Very low	46.8	Very low	91 Å²	91	70.5 Å²	70.5	55%	0.552	34%	0.344	S	S	*	.	H	α-helix	trans	-54.7	-31.1	-178.8	175	0	0	0	0	109.4	R263 Q269	R263-V265 PolarHBondContact O-N 3.04Å; V265-Q269 HydrophobicContact CG1-CG 4.15Å; V265-Q269 WeakPolarHBondContact O-CA 3.39Å; V265-Q269 WeakPolarHBondContact O-CB 3.4Å; V265-Q269 WeakPolarHBondContact O-CG 3.41Å; V265-Q269 PolarHBondContact O-N 2.81Å
266	Q	48.7	Very low	46.2	Very low	122 Å²	122	76.2 Å²	76.2	57%	0.57	37%	0.366	S	S	*	.	H	α-helix	trans	-70.8	-44.7	178.8	-166.3	174	-5	0	0	112	D264 Q269 Q270	D264-Q266 PolarHBondContact O-N 2.91Å; D264-Q266 VanDerWaalsContact O-N 3.13Å; D264-Q266 VanDerWaalsContact OD1-CB 3.27Å; D264-Q266 WeakPolarHBondContact OD1-CB 3.32Å; D264-Q266 PolarHBondContact OD1-N 3.34Å; Q266-Q269 PolarHBondContact O-N 3.48Å; Q266-Q270 WeakPolarHBondContact O-CB 3.46Å; Q266-Q270 VanDerWaalsContact O-CG 3.31Å; Q266-Q270 WeakPolarHBondContact O-CG 3.44Å; Q266-Q270 PolarHBondContact O-N 2.71Å
267	T	48.5	Very low	45.9	Very low	7 Å²	7	79.2 Å²	79.2	4%	0.043	39%	0.391	C	S	.	.	H	α-helix	trans	-66	-43.6	175.8	-53.7	0	0	0	0	111.2	R222 L260 D264 Q269 Q270 F271	R222-T267 PolarHBondContact NH1-OG1 3.28Å; L260-T267 HydrophobicContact CD1-CG2 3.76Å; D264-T267 PolarHBondContact O-N 3.35Å; D264-T267 VanDerWaalsContact O-N 3.1Å; D264-T267 PolarHBondContact OD2-OG1 3.14Å; T267-Q269 VanDerWaalsContact C-N 3.32Å; T267-Q269 PolarHBondContact O-N 3.2Å; T267-Q270 PolarHBondContact O-N 3.07Å; T267-F271 HydrophobicContact CG2-CD2 3.72Å; T267-F271 HydrophobicContact CG2-CE2 3.56Å; T267-F271 WeakPolarHBondContact O-CD2 3.49Å; T267-F271 PolarHBondContact O-N 2.88Å
268	V	44.6	Very low	45.4	Very low	53 Å²	53	77 Å²	77	32%	0.321	38%	0.38	S	S	.	.	H	α-helix	trans	-60.5	-42.5	172.5	177.1	0	0	0	0	110.5	L257 D264 F271 A272	L257-V268 HydrophobicContact CD2-CB 4.34Å; L257-V268 HydrophobicContact CD2-CG2 3.52Å; D264-V268 WeakPolarHBondContact O-CG2 3.42Å; D264-V268 PolarHBondContact O-N 3.08Å; V268-F271 PolarHBondContact O-N 3.23Å; V268-A272 WeakPolarHBondContact O-CA 3.32Å; V268-A272 WeakPolarHBondContact O-CB 3.25Å; V268-A272 PolarHBondContact O-N 3.29Å
269	Q	45.5	Very low	44.6	Very low	113 Å²	113	70 Å²	70	53%	0.528	37%	0.367	S	S	.	.	H	α-helix	trans	-66.3	-38.2	177.1	-82.9	171.6	-12.8	0	0	112	V265 Q266 T267 A272 T273	V265-Q269 HydrophobicContact CG1-CG 4.15Å; V265-Q269 WeakPolarHBondContact O-CA 3.39Å; V265-Q269 WeakPolarHBondContact O-CB 3.4Å; V265-Q269 WeakPolarHBondContact O-CG 3.41Å; V265-Q269 PolarHBondContact O-N 2.81Å; Q266-Q269 PolarHBondContact O-N 3.48Å; T267-Q269 VanDerWaalsContact C-N 3.32Å; T267-Q269 PolarHBondContact O-N 3.2Å; Q269-A272 PolarHBondContact O-N 3.33Å; Q269-T273 WeakPolarHBondContact O-CB 3.24Å; Q269-T273 PolarHBondContact O-N 3.2Å; Q269-T273 PolarHBondContact O-OG1 3.41Å
270	Q	49.5	Very low	44.1	Very low	79 Å²	79	76.3 Å²	76.3	37%	0.369	40%	0.396	S	S	.	.	H	α-helix	trans	-64.3	-48	174.6	-75.7	173.6	-13.6	0	0	110.4	L226 Q266 T267 A272 T273 V274	L226-Q270 HydrophobicContact CD2-CB 4.08Å; Q266-Q270 WeakPolarHBondContact O-CB 3.46Å; Q266-Q270 VanDerWaalsContact O-CG 3.31Å; Q266-Q270 WeakPolarHBondContact O-CG 3.44Å; Q266-Q270 PolarHBondContact O-N 2.71Å; T267-Q270 PolarHBondContact O-N 3.07Å; Q270-A272 PolarHBondContact O-N 3.19Å; Q270-T273 PolarHBondContact O-N 2.78Å; Q270-V274 WeakPolarHBondContact O-CB 2.86Å; Q270-V274 VanDerWaalsContact O-CG2 3.26Å; Q270-V274 WeakPolarHBondContact O-CG2 3.34Å; Q270-V274 PolarHBondContact O-N 2.69Å
271	F	46.1	Very low	43.5	Very low	4 Å²	4	85.3 Å²	85.3	2%	0.018	43%	0.429	C	S	.	.	H	α-helix	trans	-64.5	-38.2	174.5	-78.9	-60.2	0	0	0	113.2	A225 L226 I253 L257 T267 V268 V274 A275	A225-F271 HydrophobicContact CB-CZ 3.83Å; L226-F271 HydrophobicContact CD2-CE1 4.48Å; L226-F271 HydrophobicContact CD2-CZ 4.32Å; I253-F271 HydrophobicContact CB-CD1 4.45Å; I253-F271 HydrophobicContact CD1-CB 4.48Å; I253-F271 HydrophobicContact CD1-CD1 4.24Å; I253-F271 HydrophobicContact CG1-CB 4.34Å; I253-F271 HydrophobicContact CG1-CD1 3.59Å; I253-F271 HydrophobicContact CG1-CE1 4.17Å; I253-F271 HydrophobicContact CG1-CG 4.2Å; I253-F271 HydrophobicContact CG2-CB 3.98Å; I253-F271 HydrophobicContact CG2-CD1 4.46Å; I253-F271 HydrophobicContact CG2-CG 4.25Å; L257-F271 HydrophobicContact CD2-CD2 4.47Å; T267-F271 HydrophobicContact CG2-CD2 3.72Å; T267-F271 HydrophobicContact CG2-CE2 3.56Å; T267-F271 WeakPolarHBondContact O-CD2 3.49Å; T267-F271 PolarHBondContact O-N 2.88Å; V268-F271 PolarHBondContact O-N 3.23Å; F271-V274 VanDerWaalsContact O-CB 3.31Å; F271-V274 WeakPolarHBondContact O-CB 3.21Å; F271-V274 PolarHBondContact O-N 3.03Å; F271-A275 WeakPolarHBondContact O-CB 3.31Å; F271-A275 PolarHBondContact O-N 2.79Å
272	A	42.9	Very low	42.7	Very low	49 Å²	49	88.4 Å²	88.4	41%	0.405	45%	0.45	S	S	.	.	H	α-helix	trans	-68.7	-39.8	176.1	0	0	0	0	0	110.8	V268 Q269 Q270 V274 A275 F276	V268-A272 WeakPolarHBondContact O-CA 3.32Å; V268-A272 WeakPolarHBondContact O-CB 3.25Å; V268-A272 PolarHBondContact O-N 3.29Å; Q269-A272 PolarHBondContact O-N 3.33Å; Q270-A272 PolarHBondContact O-N 3.19Å; A272-V274 VanDerWaalsContact C-N 3.28Å; A272-V274 PolarHBondContact O-N 3.37Å; A272-A275 CarbonylContact O-C 2.99Å; A272-A275 PolarHBondContact O-N 3.4Å; A272-F276 VanDerWaalsContact O-CB 3.24Å; A272-F276 WeakPolarHBondContact O-CB 3.35Å; A272-F276 PolarHBondContact O-N 3.48Å
273	T	46.1	Very low	42.5	Very low	94 Å²	94	88.1 Å²	88.1	58%	0.577	45%	0.451	S	S	*	.	H	α-helix	trans	-61.9	-41	173.2	-58.3	0	0	0	0	110.2	Q269 Q270 F276 A277	Q269-T273 WeakPolarHBondContact O-CB 3.24Å; Q269-T273 PolarHBondContact O-N 3.2Å; Q269-T273 PolarHBondContact O-OG1 3.41Å; Q270-T273 PolarHBondContact O-N 2.78Å; T273-F276 PolarHBondContact O-N 2.71Å; T273-A277 VanDerWaalsContact O-CB 3.3Å; T273-A277 WeakPolarHBondContact O-CB 3.27Å; T273-A277 PolarHBondContact O-N 3.43Å
274	V	44.7	Very low	42.6	Very low	12 Å²	12	80.7 Å²	80.7	7%	0.073	43%	0.429	C	S	.	.	H	α-helix	trans	-59.7	-50.1	172.1	155.4	0	0	0	0	111.2	I233 I253 Q270 F271 A272 F276 A277 L278	I233-V274 HydrophobicContact CD1-CB 3.81Å; I233-V274 HydrophobicContact CD1-CG1 3.28Å; I233-V274 HydrophobicContact CD1-CG2 3.56Å; I233-V274 HydrophobicContact CG1-CG1 3.89Å; I253-V274 HydrophobicContact CD1-CG1 4.42Å; Q270-V274 WeakPolarHBondContact O-CB 2.86Å; Q270-V274 VanDerWaalsContact O-CG2 3.26Å; Q270-V274 WeakPolarHBondContact O-CG2 3.34Å; Q270-V274 PolarHBondContact O-N 2.69Å; F271-V274 VanDerWaalsContact O-CB 3.31Å; F271-V274 WeakPolarHBondContact O-CB 3.21Å; F271-V274 PolarHBondContact O-N 3.03Å; A272-V274 VanDerWaalsContact C-N 3.28Å; A272-V274 PolarHBondContact O-N 3.37Å; V274-F276 PolarHBondContact O-N 2.77Å; V274-A277 PolarHBondContact O-N 3.39Å; V274-L278 HydrophobicContact CG1-CD1 4.29Å; V274-L278 VanDerWaalsContact O-CG 3.29Å; V274-L278 WeakPolarHBondContact O-CG 3.49Å; V274-L278 PolarHBondContact O-N 3.15Å
275	A	43	Very low	42.3	Very low	45 Å²	45	82.5 Å²	82.5	37%	0.372	44%	0.439	S	S	.	.	H	α-helix	trans	-65.3	-37.2	177.8	0	0	0	0	0	112.6	I253 F271 A272 L278 G279	I253-A275 HydrophobicContact CD1-CB 4.31Å; F271-A275 WeakPolarHBondContact O-CB 3.31Å; F271-A275 PolarHBondContact O-N 2.79Å; A272-A275 CarbonylContact O-C 2.99Å; A272-A275 PolarHBondContact O-N 3.4Å; A275-L278 WeakPolarHBondContact O-CB 3.46Å; A275-L278 PolarHBondContact O-N 3.03Å; A275-G279 PolarHBondContact O-N 3.2Å
276	F	38.4	Very low	42.3	Very low	136 Å²	136	82 Å²	82	60%	0.596	43%	0.432	S	S	*	.	H	α-helix	trans	-69.3	-41	178.5	-142.9	-89.2	0	0	0	111.3	A272 T273 V274 L278 G279 E280	A272-F276 VanDerWaalsContact O-CB 3.24Å; A272-F276 WeakPolarHBondContact O-CB 3.35Å; A272-F276 PolarHBondContact O-N 3.48Å; T273-F276 PolarHBondContact O-N 2.71Å; V274-F276 PolarHBondContact O-N 2.77Å; F276-L278 PolarHBondContact O-N 3.12Å; F276-G279 PolarHBondContact O-N 3.14Å; F276-G279 VanDerWaalsContact O-N 3.13Å; F276-E280 HydrophobicContact CD1-CG 3.85Å; F276-E280 HydrophobicContact CE1-CG 3.75Å; F276-E280 WeakPolarHBondContact CE1-OE1 3.47Å; F276-E280 PolarHBondContact O-N 3.03Å
277	A	43.8	Very low	41.9	Very low	63 Å²	63	79.5 Å²	79.5	52%	0.521	42%	0.423	S	S	.	.	H	α-helix	trans	-62.9	-26	172.8	0	0	0	0	0	112.8	T273 V274	T273-A277 VanDerWaalsContact O-CB 3.3Å; T273-A277 WeakPolarHBondContact O-CB 3.27Å; T273-A277 PolarHBondContact O-N 3.43Å; V274-A277 PolarHBondContact O-N 3.39Å
278	L	39.2	Very low	41.4	Very low	12 Å²	12	84.3 Å²	84.3	6%	0.063	45%	0.449	C	S	.	.	H	α-helix	trans	-79.8	-35.8	172.5	-67.3	164.5	0	0	0	112.3	I233 C236 L241 L246 T249 V274 A275 F276	I233-L278 HydrophobicContact CB-CD2 4.47Å; I233-L278 HydrophobicContact CG1-CD1 4.08Å; I233-L278 HydrophobicContact CG1-CD2 4.1Å; I233-L278 HydrophobicContact CG1-CG 4.22Å; I233-L278 HydrophobicContact CG2-CD2 4.28Å; C236-L278 HydrophobicContact CB-CD2 4.28Å; L241-L278 HydrophobicContact CD2-CD2 4.01Å; L246-L278 HydrophobicContact CD2-CB 4.1Å; T249-L278 HydrophobicContact CG2-CD1 3.83Å; V274-L278 HydrophobicContact CG1-CD1 4.29Å; V274-L278 VanDerWaalsContact O-CG 3.29Å; V274-L278 WeakPolarHBondContact O-CG 3.49Å; V274-L278 PolarHBondContact O-N 3.15Å; A275-L278 WeakPolarHBondContact O-CB 3.46Å; A275-L278 PolarHBondContact O-N 3.03Å; F276-L278 PolarHBondContact O-N 3.12Å
279	G	35.4	Very low	41.2	Very low	42 Å²	42	86.6 Å²	86.6	43%	0.433	46%	0.458	S	S	.	.	H	α-helix	trans	-82.3	-30.4	-176	0	0	0	0	0	116.1	A275 F276 R281 E282	A275-G279 PolarHBondContact O-N 3.2Å; F276-G279 PolarHBondContact O-N 3.14Å; F276-G279 VanDerWaalsContact O-N 3.13Å; G279-R281 PolarHBondContact O-N 3.47Å; G279-E282 PolarHBondContact O-N 2.72Å
280	E	34	Very low	40.9	Very low	147 Å²	147	84.5 Å²	84.5	69%	0.687	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	9	179	-80.7	-161.8	154.4	0	0	114.7	F276	F276-E280 HydrophobicContact CD1-CG 3.85Å; F276-E280 HydrophobicContact CE1-CG 3.75Å; F276-E280 WeakPolarHBondContact CE1-OE1 3.47Å; F276-E280 PolarHBondContact O-N 3.03Å
281	R	34	Very low	40.2	Very low	195 Å²	195	85 Å²	85	74%	0.736	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	6.5	175.4	-75.3	-172.3	172.4	-162.2	-4.8	114.6	G279	G279-R281 PolarHBondContact O-N 3.47Å
282	E	34.6	Very low	39.6	Very low	221 Å²	221	92.4 Å²	92.4	100%	1.033	50%	0.5	S	S	*	.			trans	-83.7	0	155.6	-67.4	-171.8	164.5	0	0	110.3	G279	G279-E282 PolarHBondContact O-N 2.72Å

Retrieved 282 of 282 residues in 413.7 ms (Link to these results)

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