A0A078BTL9_CAEEL Loading...

CCR4-NOT transcription complex subunit 11

AlphaFold DB , UniProt , Accession A0A078BTL9, Species CAEEL (Caenorhabditis elegans), Gene ntl-11, Length 616 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31	Very low	25.5	Very low	230 Å²	230	161.1 Å²	161.1	100%	1.133	78%	0.779	S	S	*	*				0	110.6	0	-70.6	-170.2	-166.9	0	0	107.3
2	T	25.9	Very low	25.5	Very low	117 Å²	117	158.7 Å²	158.7	72%	0.718	78%	0.782	S	S	*	*				56.5	131.7	111.3	56.6	0	0	0	0	115.6
3	K	22.8	Very low	25.5	Very low	168 Å²	168	152.5 Å²	152.5	73%	0.73	78%	0.784	S	S	*	*			cis	-176.2	151.2	-8	-124	171	-173.1	168.4	0	106
4	K	23.5	Very low	25.4	Very low	172 Å²	172	148.7 Å²	148.7	75%	0.748	79%	0.787	S	S	*	*			trans	41.6	129	136.5	-72.4	179.5	179.1	-173.4	0	118.1
5	K	25.1	Very low	25.6	Very low	184 Å²	184	145.2 Å²	145.2	80%	0.8	79%	0.787	S	S	*	*				-175.7	140.3	52.9	-109.6	142.9	176.5	-168.8	0	105.6
6	A	24.9	Very low	25.6	Very low	87 Å²	87	142.6 Å²	142.6	72%	0.719	79%	0.792	S	S	*	*			cis	66.3	115.7	44.4	0	0	0	0	0	114.8
7	K	23.4	Very low	25.6	Very low	203 Å²	203	139.5 Å²	139.5	88%	0.883	79%	0.788	S	S	*	*			trans	104.9	114.2	172.6	-64.2	-172.2	173.2	-172.6	0	113.9
8	K	26.7	Very low	25.7	Very low	163 Å²	163	138.3 Å²	138.3	71%	0.709	79%	0.787	S	S	*	*			cis	65.9	95.6	46.5	-163.9	-170.6	-176.3	-177	0	111.6
9	N	24.1	Very low	26.2	Very low	139 Å²	139	136.7 Å²	136.7	74%	0.743	78%	0.783	S	S	*	*				-159.3	124.4	118.6	-85.7	-15.7	0	0	0	106.3
10	Q	28	Very low	26.8	Very low	133 Å²	133	137.5 Å²	137.5	62%	0.621	78%	0.779	S	S	*	*			cis	75.3	135.7	43.3	-161.3	-173.4	16.5	0	0	112.2
11	K	25.6	Very low	26.9	Very low	176 Å²	176	134.4 Å²	134.4	77%	0.765	76%	0.758	S	S	*	*			trans	90.3	138.2	172.6	-56.4	-163.9	175.5	-172.9	0	115.2
12	T	24.9	Very low	26.9	Very low	132 Å²	132	127.6 Å²	127.6	81%	0.81	73%	0.733	S	S	*	*			cis	-168.6	151.6	-3.3	14.3	0	0	0	0	110.6
13	G	25.9	Very low	27.1	Very low	79 Å²	79	129.3 Å²	129.3	81%	0.814	73%	0.733	S	S	*	*			trans	84.5	145.3	159.2	0	0	0	0	0	115.2
14	A	24.1	Very low	27.9	Very low	99 Å²	99	125.2 Å²	125.2	82%	0.818	72%	0.715	S	S	*	*			cis	-152.2	147.6	-2.3	0	0	0	0	0	112.1
15	A	27.5	Very low	28.2	Very low	96 Å²	96	120.4 Å²	120.4	79%	0.793	69%	0.694	S	S	*	*			trans	59.1	127.9	141.3	0	0	0	0	0	121.5
16	A	25.5	Very low	28.4	Very low	104 Å²	104	111.7 Å²	111.7	86%	0.86	66%	0.656	S	S	*	*			trans	61.7	146	159.6	0	0	0	0	0	117.8
17	A	26.8	Very low	28.8	Very low	89 Å²	89	111.4 Å²	111.4	74%	0.736	64%	0.639	S	S	*	*			cis	-152.4	143.4	-29.5	0	0	0	0	0	105.7
18	P	27.1	Very low	29.2	Very low	118 Å²	118	103 Å²	103	77%	0.766	60%	0.603	S	S	*	*			trans	-80.7	173.2	-177.7	35.5	-36.4	0	0	0	111.6
19	P	34.2	Very low	29.5	Very low	108 Å²	108	95.9 Å²	95.9	70%	0.701	57%	0.572	S	S	*	*			cis	-133.5	-155.7	-29.6	33.8	-12.7	0	0	0	110.9
20	H	38.6	Very low	29.8	Very low	152 Å²	152	91.4 Å²	91.4	70%	0.704	55%	0.548	S	S	*	.			trans	17.4	146.7	135.2	-89.5	-97.9	0	0	0	120.2
21	E	29.7	Very low	30	Very low	74 Å²	74	90.5 Å²	90.5	35%	0.346	54%	0.543	S	S	.	.				171.1	-15.8	74.9	-150.4	126.2	-103	0	0	117	Q23 K24	E21-Q23 PolarHBondContact O-N 3Å; E21-K24 VanDerWaalsContact CD-CD 3.48Å; E21-K24 HydrophobicContact CG-CB 3.9Å; E21-K24 HydrophobicContact CG-CD 3.46Å; E21-K24 VanDerWaalsContact CG-CD 3.46Å; E21-K24 HydrophobicContact CG-CG 3.57Å; E21-K24 PolarHBondContact O-N 3.45Å; E21-K24 WeakPolarHBondContact OE1-CE 3.34Å; E21-K24 IonicContact OE1-NZ 3.84Å; E21-K24 PolarHBondContact OE1-NZ 3.22Å; E21-K24 WeakPolarHBondContact OE2-CE 3.46Å; E21-K24 IonicContact OE2-NZ 2.69Å; E21-K24 PolarHBondContact OE2-NZ 2.8Å
22	S	29.7	Very low	30.5	Very low	87 Å²	87	84.3 Å²	84.3	61%	0.608	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-51.7	-25.6	-156.6	-45.2	0	0	0	0	117.4	K24	S22-K24 PolarHBondContact O-N 3.24Å; S22-K24 VanDerWaalsContact O-N 3.15Å
23	Q	31.1	Very low	30.7	Very low	152 Å²	152	81.5 Å²	81.5	71%	0.71	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-65.6	-2.7	171.5	-72.7	-173.4	-3.9	0	0	115.9	E21 D544 R546	E21-Q23 PolarHBondContact O-N 3Å; Q23-D544 VanDerWaalsContact CA-O 3.25Å; Q23-D544 WeakPolarHBondContact CA-O 3.22Å; Q23-R546 VanDerWaalsContact O-CB 3.28Å; Q23-R546 WeakPolarHBondContact O-CB 3.31Å; Q23-R546 WeakPolarHBondContact O-CD 3.39Å
24	K	38.6	Very low	30.9	Very low	83 Å²	83	83.5 Å²	83.5	36%	0.361	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-76	-33.5	177	-93.7	-158.8	-166.1	162.2	0	114.3	E21 S22 E26 E28	E21-K24 VanDerWaalsContact CD-CD 3.48Å; E21-K24 HydrophobicContact CG-CB 3.9Å; E21-K24 HydrophobicContact CG-CD 3.46Å; E21-K24 VanDerWaalsContact CG-CD 3.46Å; E21-K24 HydrophobicContact CG-CG 3.57Å; E21-K24 PolarHBondContact O-N 3.45Å; E21-K24 WeakPolarHBondContact OE1-CE 3.34Å; E21-K24 IonicContact OE1-NZ 3.84Å; E21-K24 PolarHBondContact OE1-NZ 3.22Å; E21-K24 WeakPolarHBondContact OE2-CE 3.46Å; E21-K24 IonicContact OE2-NZ 2.69Å; E21-K24 PolarHBondContact OE2-NZ 2.8Å; S22-K24 PolarHBondContact O-N 3.24Å; S22-K24 VanDerWaalsContact O-N 3.15Å; K24-E26 PolarHBondContact O-N 3.27Å; K24-E28 HydrophobicContact CB-CG 4.28Å; K24-E28 WeakPolarHBondContact CB-OE1 3.38Å; K24-E28 WeakPolarHBondContact CD-OE1 3.47Å; K24-E28 WeakPolarHBondContact O-CG 3.33Å; K24-E28 PolarHBondContact O-N 2.82Å
25	K	29.7	Very low	31.4	Very low	71 Å²	71	81.7 Å²	81.7	31%	0.309	46%	0.461	S	S	.	.	S	Bend	trans	-73.8	15.5	-133.6	-119.2	-168	-160.9	174.2	0	119.3	E28 D507 R511 N545	K25-E28 VanDerWaalsContact CA-OE2 3.28Å; K25-E28 WeakPolarHBondContact CA-OE2 3.43Å; K25-D507 HydrophobicContact CD-CB 3.47Å; K25-D507 VanDerWaalsContact CD-CB 3.47Å; K25-D507 IonicContact NZ-OD2 2.87Å; K25-D507 PolarHBondContact NZ-OD2 3.25Å; K25-R511 WeakPolarHBondContact O-CD 3.32Å; K25-R511 WeakPolarHBondContact O-CG 3.24Å; K25-N545 WeakPolarHBondContact CA-OD1 3.3Å; K25-N545 WeakPolarHBondContact CB-OD1 3.47Å; K25-N545 PolarHBondContact O-OD1 3.41Å; K25-N545 VanDerWaalsContact O-OD1 3.13Å
26	E	29.4	Very low	31.7	Very low	0 Å²	0	80.1 Å²	80.1	0%	0	44%	0.439	C	S	.	.	S	Bend	trans	-172.5	151	-173.7	-92.5	174.6	168.8	0	0	106.1	K24 E28 R511 A514 N545 R546 E547 C548	K24-E26 PolarHBondContact O-N 3.27Å; E26-E28 PolarHBondContact O-N 3.41Å; E26-R511 HydrophobicContact CB-CG 4.42Å; E26-R511 VanDerWaalsContact CG-CA 3.48Å; E26-R511 HydrophobicContact CG-CB 3.5Å; E26-R511 VanDerWaalsContact CG-CB 3.5Å; E26-R511 HydrophobicContact CG-CG 3.51Å; E26-R511 VanDerWaalsContact OE1-CA 3.27Å; E26-R511 WeakPolarHBondContact OE1-CA 3.26Å; E26-A514 WeakPolarHBondContact OE1-CB 3.42Å; E26-N545 VanDerWaalsContact CB-OD1 3.24Å; E26-N545 WeakPolarHBondContact CB-OD1 3.43Å; E26-N545 VanDerWaalsContact CD-CB 3.48Å; E26-N545 HydrophobicContact CG-CB 4.35Å; E26-N545 WeakPolarHBondContact CG-OD1 3.49Å; E26-N545 PolarHBondContact N-OD1 2.86Å; E26-N545 PolarHBondContact OE1-ND2 3.2Å; E26-N545 VanDerWaalsContact OE1-ND2 3.11Å; E26-N545 WeakPolarHBondContact OE2-CA 3.46Å; E26-N545 WeakPolarHBondContact OE2-CB 3.22Å; E26-N545 PolarHBondContact OE2-OD1 2.7Å; E26-R546 CarbonylContact O-C 3.54Å; E26-R546 WeakPolarHBondContact O-CA 3.4Å; E26-R546 WeakPolarHBondContact O-CB 3.29Å; E26-R546 WeakPolarHBondContact O-CD 3.43Å; E26-R546 WeakPolarHBondContact O-CG 3.48Å; E26-R546 PolarHBondContact OE2-N 2.77Å; E26-R546 VanDerWaalsContact OE2-N 3.09Å; E26-E547 HydrophobicContact CB-CB 3.44Å; E26-E547 VanDerWaalsContact CB-CB 3.44Å; E26-E547 HydrophobicContact CB-CG 3.53Å; E26-E547 VanDerWaalsContact CD-CB 3.49Å; E26-E547 HydrophobicContact CG-CB 3.58Å; E26-E547 HydrophobicContact CG-CG 3.77Å; E26-E547 VanDerWaalsContact OE2-CA 3.31Å; E26-E547 WeakPolarHBondContact OE2-CA 3.06Å; E26-E547 PolarHBondContact OE2-N 2.84Å; E26-C548 PolarHBondContact OE1-SG 2.62Å; E26-C548 PolarHBondContact OE2-N 2.81Å
27	K	35	Very low	32	Very low	81 Å²	81	79.6 Å²	79.6	35%	0.352	42%	0.421	S	S	.	.	S	Bend	trans	49.2	-4.1	-140.3	-49.1	178.8	-164.7	171.8	0	113.3	N29 F31 R546 E547 A550	K27-N29 VanDerWaalsContact C-N 3.25Å; K27-F31 WeakPolarHBondContact O-CB 3.3Å; K27-R546 HydrophobicContact CB-CG 3.94Å; K27-R546 VanDerWaalsContact CB-CZ 3.47Å; K27-R546 HydrophobicContact CD-CG 3.87Å; K27-R546 VanDerWaalsContact CE-O 3.24Å; K27-R546 WeakPolarHBondContact CE-O 3.4Å; K27-R546 HydrophobicContact CG-CG 4.03Å; K27-R546 WeakPolarHBondContact CG-O 3.29Å; K27-R546 PolarHBondContact O-NH1 3.04Å; K27-E547 WeakPolarHBondContact CA-OE1 3.34Å; K27-E547 PolarHBondContact N-OE1 2.93Å; K27-A550 HydrophobicContact CD-CB 4.18Å; K27-A550 HydrophobicContact CG-CB 3.95Å
28	E	31.9	Very low	32.3	Very low	28 Å²	28	79.6 Å²	79.6	13%	0.131	40%	0.404	C	S	.	.	S	Bend		-59.2	-30.3	126.7	-91.3	-177.4	174.4	0	0	112.1	K24 K25 E26 E32 R511 R546	K24-E28 HydrophobicContact CB-CG 4.28Å; K24-E28 WeakPolarHBondContact CB-OE1 3.38Å; K24-E28 WeakPolarHBondContact CD-OE1 3.47Å; K24-E28 WeakPolarHBondContact O-CG 3.33Å; K24-E28 PolarHBondContact O-N 2.82Å; K25-E28 VanDerWaalsContact CA-OE2 3.28Å; K25-E28 WeakPolarHBondContact CA-OE2 3.43Å; E26-E28 PolarHBondContact O-N 3.41Å; E28-E32 VanDerWaalsContact O-CA 3.27Å; E28-E32 WeakPolarHBondContact O-CA 3.43Å; E28-E32 WeakPolarHBondContact O-CB 3.41Å; E28-E32 WeakPolarHBondContact O-CG 3.16Å; E28-E32 PolarHBondContact O-N 2.67Å; E28-R511 IonicContact OE2-NH1 3.08Å; E28-R546 VanDerWaalsContact N-NH1 3.16Å
29	N	31.6	Very low	32.9	Very low	13 Å²	13	78.1 Å²	78.1	7%	0.07	38%	0.383	C	S	.	.	H	α-helix	trans	-101.4	-38.3	-164	-143.3	26.8	0	0	0	117.4	K27 E32 M33 R511 M515	K27-N29 VanDerWaalsContact C-N 3.25Å; N29-E32 PolarHBondContact O-N 2.95Å; N29-M33 PolarHBondContact O-N 2.94Å; N29-R511 HydrophobicContact CB-CG 3.55Å; N29-R511 VanDerWaalsContact CG-CZ 3.42Å; N29-R511 VanDerWaalsContact ND2-CG 3.27Å; N29-R511 WeakPolarHBondContact ND2-CG 3.25Å; N29-R511 PolarHBondContact ND2-NE 3.36Å; N29-R511 VanDerWaalsContact ND2-NE 3.14Å; N29-R511 PolarHBondContact OD1-NE 2.85Å; N29-R511 PolarHBondContact OD1-NH2 2.88Å; N29-M515 HydrophobicContact CB-CE 4.24Å; N29-M515 HydrophobicContact CB-CG 3.98Å; N29-M515 HydrophobicContact CB-SD 3.38Å; N29-M515 WeakPolarHBondContact CB-SD 3.35Å; N29-M515 PolarHBondContact ND2-SD 3.44Å; N29-M515 WeakPolarHBondContact O-CE 3Å
30	D	30.7	Very low	33	Very low	44 Å²	44	77.5 Å²	77.5	24%	0.235	37%	0.374	C	S	.	.	H	α-helix	trans	-71.1	-24.7	162.3	-91.2	-21.4	0	0	0	111	L34 M515 K518 E547	D30-L34 WeakPolarHBondContact O-CB 3.49Å; D30-L34 PolarHBondContact O-N 2.96Å; D30-L34 VanDerWaalsContact O-N 3.16Å; D30-M515 HydrophobicContact CB-CE 4.31Å; D30-M515 WeakPolarHBondContact OD1-CE 3.37Å; D30-K518 WeakPolarHBondContact OD2-CD 3.22Å; D30-K518 VanDerWaalsContact OD2-CE 3.31Å; D30-K518 WeakPolarHBondContact OD2-CE 3.49Å; D30-K518 IonicContact OD2-NZ 3.33Å; D30-K518 PolarHBondContact OD2-NZ 3.45Å; D30-E547 WeakPolarHBondContact CB-OE1 3.33Å; D30-E547 PolarHBondContact N-OE1 3.23Å
31	F	32.7	Very low	32.9	Very low	115 Å²	115	74.9 Å²	74.9	50%	0.504	36%	0.362	S	S	.	.	H	α-helix	trans	-78.4	-36.7	172.5	-152.6	-105.8	0	0	0	110.7	K27 L34 E35	K27-F31 WeakPolarHBondContact O-CB 3.3Å; F31-L34 CarbonylContact O-C 3.59Å; F31-L34 PolarHBondContact O-N 3.5Å; F31-E35 HydrophobicContact CD1-CG 3.95Å; F31-E35 WeakPolarHBondContact CD1-OE1 3.32Å; F31-E35 HydrophobicContact CE1-CG 4.12Å; F31-E35 WeakPolarHBondContact CE1-OE1 3.35Å; F31-E35 WeakPolarHBondContact O-CA 3.49Å; F31-E35 WeakPolarHBondContact O-CB 3.31Å; F31-E35 VanDerWaalsContact O-CG 3.27Å; F31-E35 WeakPolarHBondContact O-CG 3.46Å; F31-E35 PolarHBondContact O-N 3.32Å
32	E	35.1	Very low	33.4	Very low	46 Å²	46	72.2 Å²	72.2	22%	0.215	35%	0.351	C	S	.	.	H	α-helix	trans	-68.1	-30.1	168.7	-88	169.8	-135.8	0	0	111.2	E28 N29 E35 D36 R511	E28-E32 VanDerWaalsContact O-CA 3.27Å; E28-E32 WeakPolarHBondContact O-CA 3.43Å; E28-E32 WeakPolarHBondContact O-CB 3.41Å; E28-E32 WeakPolarHBondContact O-CG 3.16Å; E28-E32 PolarHBondContact O-N 2.67Å; N29-E32 PolarHBondContact O-N 2.95Å; E32-E35 CarbonylContact O-C 3.46Å; E32-D36 WeakPolarHBondContact O-CA 3.47Å; E32-D36 WeakPolarHBondContact O-CB 3.19Å; E32-D36 PolarHBondContact O-N 3.47Å; E32-R511 IonicContact OE1-CZ 2.81Å; E32-R511 IonicContact OE1-NH1 2.8Å; E32-R511 PolarHBondContact OE1-NH1 3.24Å; E32-R511 IonicContact OE1-NH2 3.77Å; E32-R511 IonicContact OE2-CZ 3.43Å; E32-R511 IonicContact OE2-NH1 2.89Å; E32-R511 PolarHBondContact OE2-NH1 3.3Å; E32-R511 IonicContact OE2-NH2 2.64Å; E32-R511 PolarHBondContact OE2-NH2 2.92Å
33	M	30.2	Very low	33.9	Very low	73 Å²	73	72.9 Å²	72.9	36%	0.36	35%	0.347	S	S	.	.	H	α-helix	trans	-75.1	-33.9	174.9	-156.8	-167.7	-46.5	0	0	111.9	N29 I37 M515	N29-M33 PolarHBondContact O-N 2.94Å; M33-I37 WeakPolarHBondContact O-CB 3.25Å; M33-I37 WeakPolarHBondContact O-CD1 3.49Å; M33-I37 WeakPolarHBondContact O-CG1 3.44Å; M33-I37 PolarHBondContact O-N 2.98Å; M33-M515 HydrophobicContact CB-CE 4.42Å; M33-M515 HydrophobicContact CE-CE 3.27Å
34	L	28.8	Very low	34.4	Very low	121 Å²	121	73 Å²	73	63%	0.634	35%	0.345	S	S	*	.	H	α-helix	trans	-78	-31.1	172.4	-85.3	160.8	0	0	0	112.5	D30 F31 K38	D30-L34 WeakPolarHBondContact O-CB 3.49Å; D30-L34 PolarHBondContact O-N 2.96Å; D30-L34 VanDerWaalsContact O-N 3.16Å; F31-L34 CarbonylContact O-C 3.59Å; F31-L34 PolarHBondContact O-N 3.5Å; L34-K38 WeakPolarHBondContact O-CB 3.29Å; L34-K38 PolarHBondContact O-N 2.82Å
35	E	35.8	Very low	34.8	Very low	61 Å²	61	72.1 Å²	72.1	29%	0.285	34%	0.341	S	S	.	.	H	α-helix	trans	-74.8	-31.7	168.7	-78.3	-172.2	172.6	0	0	111	F31 E32 K38 R39	F31-E35 HydrophobicContact CD1-CG 3.95Å; F31-E35 WeakPolarHBondContact CD1-OE1 3.32Å; F31-E35 HydrophobicContact CE1-CG 4.12Å; F31-E35 WeakPolarHBondContact CE1-OE1 3.35Å; F31-E35 WeakPolarHBondContact O-CA 3.49Å; F31-E35 WeakPolarHBondContact O-CB 3.31Å; F31-E35 VanDerWaalsContact O-CG 3.27Å; F31-E35 WeakPolarHBondContact O-CG 3.46Å; F31-E35 PolarHBondContact O-N 3.32Å; E32-E35 CarbonylContact O-C 3.46Å; E35-K38 CarbonylContact O-C 3.46Å; E35-K38 PolarHBondContact O-N 3.14Å; E35-R39 VanDerWaalsContact O-CA 3.32Å; E35-R39 WeakPolarHBondContact O-CA 3.46Å; E35-R39 WeakPolarHBondContact O-CB 3.27Å; E35-R39 VanDerWaalsContact O-CD 3.25Å; E35-R39 WeakPolarHBondContact O-CD 3.47Å; E35-R39 WeakPolarHBondContact O-CG 3.28Å; E35-R39 PolarHBondContact O-N 2.9Å; E35-R39 IonicContact OE2-CZ 2.67Å; E35-R39 IonicContact OE2-NE 3.88Å; E35-R39 IonicContact OE2-NH2 2.68Å; E35-R39 PolarHBondContact OE2-NH2 3.05Å
36	D	33.1	Very low	36.2	Very low	62 Å²	62	70.3 Å²	70.3	33%	0.332	34%	0.338	S	S	.	.	H	α-helix	trans	-72.9	-40.1	175.6	-80.4	-11.3	0	0	0	109.2	E32 K38 R39 D40	E32-D36 WeakPolarHBondContact O-CA 3.47Å; E32-D36 WeakPolarHBondContact O-CB 3.19Å; E32-D36 PolarHBondContact O-N 3.47Å; D36-K38 VanDerWaalsContact C-N 3.35Å; D36-R39 PolarHBondContact O-N 2.79Å; D36-D40 WeakPolarHBondContact O-CB 3.46Å; D36-D40 VanDerWaalsContact O-CG 3.26Å; D36-D40 PolarHBondContact O-N 3.41Å
37	I	31.5	Very low	37.4	Very low	94 Å²	94	78.7 Å²	78.7	48%	0.482	38%	0.377	S	S	.	.	H	α-helix	trans	-64.8	-40.5	170.6	-70.3	166.1	0	0	0	110.8	M33 E41	M33-I37 WeakPolarHBondContact O-CB 3.25Å; M33-I37 WeakPolarHBondContact O-CD1 3.49Å; M33-I37 WeakPolarHBondContact O-CG1 3.44Å; M33-I37 PolarHBondContact O-N 2.98Å; I37-E41 PolarHBondContact O-N 2.69Å
38	K	33.9	Very low	39	Very low	89 Å²	89	79.2 Å²	79.2	39%	0.387	39%	0.387	S	S	.	.	H	α-helix	trans	-73.2	-34.7	177.8	-168.1	-175.4	175.5	-154.6	0	112.4	L34 E35 D36 E41 D42	L34-K38 WeakPolarHBondContact O-CB 3.29Å; L34-K38 PolarHBondContact O-N 2.82Å; E35-K38 CarbonylContact O-C 3.46Å; E35-K38 PolarHBondContact O-N 3.14Å; D36-K38 VanDerWaalsContact C-N 3.35Å; K38-E41 CarbonylContact O-C 3.43Å; K38-E41 VanDerWaalsContact O-C 3.27Å; K38-E41 WeakPolarHBondContact O-CA 3.22Å; K38-E41 WeakPolarHBondContact O-CB 3.05Å; K38-E41 PolarHBondContact O-N 3.02Å; K38-D42 VanDerWaalsContact C-OD2 3.31Å; K38-D42 WeakPolarHBondContact O-CB 3.3Å; K38-D42 PolarHBondContact O-N 3.24Å
39	R	40	Very low	40.6	Very low	86 Å²	86	78.5 Å²	78.5	33%	0.325	38%	0.384	S	S	.	.	H	α-helix	trans	-72.3	-36.8	175.2	-74.9	161.8	-166.3	-137.1	9.1	110.6	E35 D36 E41 D42 L43 E232	E35-R39 VanDerWaalsContact O-CA 3.32Å; E35-R39 WeakPolarHBondContact O-CA 3.46Å; E35-R39 WeakPolarHBondContact O-CB 3.27Å; E35-R39 VanDerWaalsContact O-CD 3.25Å; E35-R39 WeakPolarHBondContact O-CD 3.47Å; E35-R39 WeakPolarHBondContact O-CG 3.28Å; E35-R39 PolarHBondContact O-N 2.9Å; E35-R39 IonicContact OE2-CZ 2.67Å; E35-R39 IonicContact OE2-NE 3.88Å; E35-R39 IonicContact OE2-NH2 2.68Å; E35-R39 PolarHBondContact OE2-NH2 3.05Å; D36-R39 PolarHBondContact O-N 2.79Å; R39-E41 VanDerWaalsContact C-N 3.31Å; R39-D42 WeakPolarHBondContact CA-OD2 3.33Å; R39-D42 CarbonylContact O-C 3.4Å; R39-D42 WeakPolarHBondContact O-CA 3.49Å; R39-D42 PolarHBondContact O-N 3.42Å; R39-L43 WeakPolarHBondContact O-CB 3.29Å; R39-L43 WeakPolarHBondContact O-CD1 3.46Å; R39-L43 PolarHBondContact O-N 3.2Å; R39-E232 IonicContact CZ-OE1 2.65Å; R39-E232 IonicContact NH1-OE1 2.78Å; R39-E232 PolarHBondContact NH1-OE1 3.37Å; R39-E232 IonicContact NH2-OE1 3.61Å; R39-E232 PolarHBondContact NH2-OE1 3.47Å
40	D	35.3	Very low	42.2	Very low	96 Å²	96	82.6 Å²	82.6	51%	0.513	41%	0.405	S	S	.	.	H	α-helix	trans	-64.5	-37.6	167.9	-78.8	-16.2	0	0	0	109.8	D36 F44	D36-D40 WeakPolarHBondContact O-CB 3.46Å; D36-D40 VanDerWaalsContact O-CG 3.26Å; D36-D40 PolarHBondContact O-N 3.41Å; D40-F44 WeakPolarHBondContact O-CA 3.24Å; D40-F44 VanDerWaalsContact O-CB 3.24Å; D40-F44 WeakPolarHBondContact O-CB 3.41Å; D40-F44 WeakPolarHBondContact O-CD2 3.17Å; D40-F44 PolarHBondContact O-N 2.88Å
41	E	37.6	Very low	44	Very low	96 Å²	96	83.5 Å²	83.5	45%	0.449	42%	0.415	S	S	.	.	H	α-helix	trans	-72.8	-19.8	165.6	-71.1	-175.6	-175.6	0	0	114.3	I37 K38 R39 F44 R78	I37-E41 PolarHBondContact O-N 2.69Å; K38-E41 CarbonylContact O-C 3.43Å; K38-E41 VanDerWaalsContact O-C 3.27Å; K38-E41 WeakPolarHBondContact O-CA 3.22Å; K38-E41 WeakPolarHBondContact O-CB 3.05Å; K38-E41 PolarHBondContact O-N 3.02Å; R39-E41 VanDerWaalsContact C-N 3.31Å; E41-F44 CarbonylContact C-O 3.23Å; E41-F44 WeakPolarHBondContact CA-O 3.47Å; E41-R78 VanDerWaalsContact C-NH1 3.3Å; E41-R78 PolarHBondContact O-NE 3.07Å; E41-R78 PolarHBondContact O-NH1 2.93Å; E41-R78 VanDerWaalsContact O-NH1 3.13Å; E41-R78 IonicContact OE2-NH1 3.15Å; E41-R78 IonicContact OE2-NH2 3.51Å
42	D	39.9	Very low	46.3	Very low	19 Å²	19	79.8 Å²	79.8	10%	0.102	40%	0.4	C	S	.	.	H	α-helix	trans	-84.7	-18.3	176.3	-58.1	-45.8	0	0	0	111.6	K38 R39 R78 C79	K38-D42 VanDerWaalsContact C-OD2 3.31Å; K38-D42 WeakPolarHBondContact O-CB 3.3Å; K38-D42 PolarHBondContact O-N 3.24Å; R39-D42 WeakPolarHBondContact CA-OD2 3.33Å; R39-D42 CarbonylContact O-C 3.4Å; R39-D42 WeakPolarHBondContact O-CA 3.49Å; R39-D42 PolarHBondContact O-N 3.42Å; D42-R78 VanDerWaalsContact OD1-CD 3.28Å; D42-R78 WeakPolarHBondContact OD1-CD 3.35Å; D42-R78 IonicContact OD1-CZ 2.82Å; D42-R78 IonicContact OD1-NE 3.2Å; D42-R78 IonicContact OD1-NH1 3.5Å; D42-R78 PolarHBondContact OD1-NH1 2.74Å; D42-C79 VanDerWaalsContact O-CB 3.31Å; D42-C79 WeakPolarHBondContact O-CB 3.44Å; D42-C79 PolarHBondContact O-N 2.89Å; D42-C79 VanDerWaalsContact O-N 3.11Å
43	L	39.2	Very low	48.3	Very low	100 Å²	100	77.8 Å²	77.8	52%	0.524	39%	0.391	S	S	.	.	H	α-helix	trans	-97.9	-36.7	169.8	-88.8	88.4	0	0	0	113.1	R39	R39-L43 WeakPolarHBondContact O-CB 3.29Å; R39-L43 WeakPolarHBondContact O-CD1 3.46Å; R39-L43 PolarHBondContact O-N 3.2Å
44	F	42.7	Very low	50.6	Low	154 Å²	154	76 Å²	76	68%	0.675	39%	0.386	S	S	*	.	S	Bend	trans	-105	121.2	175.9	-72	-90	0	0	0	111.1	D40 E41 S46	D40-F44 WeakPolarHBondContact O-CA 3.24Å; D40-F44 VanDerWaalsContact O-CB 3.24Å; D40-F44 WeakPolarHBondContact O-CB 3.41Å; D40-F44 WeakPolarHBondContact O-CD2 3.17Å; D40-F44 PolarHBondContact O-N 2.88Å; E41-F44 CarbonylContact C-O 3.23Å; E41-F44 WeakPolarHBondContact CA-O 3.47Å; F44-S46 PolarHBondContact O-N 2.77Å
45	F	47.7	Very low	53.4	Low	66 Å²	66	74.7 Å²	74.7	29%	0.289	38%	0.379	S	S	.	.			trans	-58	125.4	175.1	-67.9	-77.6	0	0	0	112.9	D49 I50 I53 A82 I83 A86	F45-D49 HydrophobicContact CD1-CB 3.97Å; F45-I50 HydrophobicContact CB-CD1 4.16Å; F45-I50 HydrophobicContact CB-CG1 3.74Å; F45-I50 HydrophobicContact CG-CG1 4.34Å; F45-I53 HydrophobicContact CD1-CD1 4.09Å; F45-I53 HydrophobicContact CE1-CD1 3.43Å; F45-I53 VanDerWaalsContact CE1-CD1 3.43Å; F45-I53 HydrophobicContact CZ-CD1 4.17Å; F45-A82 HydrophobicContact CE2-CB 4.34Å; F45-A82 VanDerWaalsContact CE2-O 3.32Å; F45-A82 WeakPolarHBondContact CE2-O 3.37Å; F45-A82 VanDerWaalsContact CZ-C 3.4Å; F45-A82 HydrophobicContact CZ-CB 4.33Å; F45-A82 WeakPolarHBondContact CZ-O 3.39Å; F45-I83 HydrophobicContact CE1-CG1 4.26Å; F45-I83 HydrophobicContact CZ-CG1 4.5Å; F45-A86 HydrophobicContact CD2-CB 4.32Å; F45-A86 HydrophobicContact CE1-CB 4.07Å; F45-A86 HydrophobicContact CE2-CB 3.49Å; F45-A86 VanDerWaalsContact CE2-CB 3.49Å; F45-A86 HydrophobicContact CZ-CB 3.3Å
46	S	57.8	Low	55.9	Low	33 Å²	33	72.9 Å²	72.9	23%	0.231	37%	0.37	C	S	.	.			trans	-67.9	154.4	159.9	76.9	0	0	0	0	110.3	F44 T48 D49 I50	F44-S46 PolarHBondContact O-N 2.77Å; S46-T48 PolarHBondContact O-N 2.72Å; S46-T48 VanDerWaalsContact O-N 3.12Å; S46-T48 PolarHBondContact OG-N 2.97Å; S46-D49 WeakPolarHBondContact CB-OD2 3.37Å; S46-D49 PolarHBondContact N-OD2 3.31Å; S46-D49 WeakPolarHBondContact O-CB 3.28Å; S46-D49 PolarHBondContact O-N 3.4Å; S46-D49 VanDerWaalsContact OG-CG 3.22Å; S46-D49 PolarHBondContact OG-N 2.72Å; S46-D49 PolarHBondContact OG-OD2 2.93Å; S46-I50 PolarHBondContact O-N 3.26Å
47	E	55	Low	58.4	Low	175 Å²	175	70 Å²	70	82%	0.818	36%	0.355	S	S	*	.	H	α-helix	trans	-55.5	-30.3	171.8	-64	-176.1	157.7	0	0	112.1	S51	E47-S51 WeakPolarHBondContact O-CB 3.4Å; E47-S51 PolarHBondContact O-N 3.01Å
48	T	68.4	Low	61.1	Low	93 Å²	93	73.5 Å²	73.5	57%	0.571	36%	0.362	S	S	*	.	H	α-helix	trans	-67.8	-39	175.2	-55.4	0	0	0	0	111.4	S46 S51 N52	S46-T48 PolarHBondContact O-N 2.72Å; S46-T48 VanDerWaalsContact O-N 3.12Å; S46-T48 PolarHBondContact OG-N 2.97Å; T48-S51 PolarHBondContact O-N 2.96Å; T48-N52 WeakPolarHBondContact O-CB 3.46Å; T48-N52 PolarHBondContact O-N 2.9Å; T48-N52 PolarHBondContact O-ND2 3.18Å; T48-N52 VanDerWaalsContact O-ND2 3.14Å
49	D	65.1	Low	63.7	Low	13 Å²	13	70.4 Å²	70.4	7%	0.07	35%	0.351	C	S	.	.	H	α-helix	trans	-69.8	-39.7	176.5	-65.7	-55.4	0	0	0	111.9	F45 S46 S51 N52 I53 F75 R78	F45-D49 HydrophobicContact CD1-CB 3.97Å; S46-D49 WeakPolarHBondContact CB-OD2 3.37Å; S46-D49 PolarHBondContact N-OD2 3.31Å; S46-D49 WeakPolarHBondContact O-CB 3.28Å; S46-D49 PolarHBondContact O-N 3.4Å; S46-D49 VanDerWaalsContact OG-CG 3.22Å; S46-D49 PolarHBondContact OG-N 2.72Å; S46-D49 PolarHBondContact OG-OD2 2.93Å; D49-S51 VanDerWaalsContact C-N 3.34Å; D49-S51 PolarHBondContact O-N 2.85Å; D49-N52 PolarHBondContact O-N 2.75Å; D49-I53 WeakPolarHBondContact O-CG1 3.5Å; D49-I53 PolarHBondContact O-N 2.84Å; D49-F75 HydrophobicContact CB-CE1 4.24Å; D49-R78 IonicContact OD1-NE 2.7Å; D49-R78 IonicContact OD2-CZ 2.72Å; D49-R78 IonicContact OD2-NE 3.34Å; D49-R78 PolarHBondContact OD2-NE 3.43Å; D49-R78 IonicContact OD2-NH2 2.74Å; D49-R78 PolarHBondContact OD2-NH2 2.8Å
50	I	65.1	Low	66	Low	99 Å²	99	69.6 Å²	69.6	51%	0.508	36%	0.355	S	S	.	.	H	α-helix	trans	-60.3	-46.2	172.4	-59.5	176.4	0	0	0	110.2	F45 S46 I53 S54	F45-I50 HydrophobicContact CB-CD1 4.16Å; F45-I50 HydrophobicContact CB-CG1 3.74Å; F45-I50 HydrophobicContact CG-CG1 4.34Å; S46-I50 PolarHBondContact O-N 3.26Å; I50-I53 PolarHBondContact O-N 3.22Å; I50-S54 WeakPolarHBondContact O-CB 3.46Å; I50-S54 PolarHBondContact O-N 3.3Å
51	S	69.5	Low	68.6	Low	63 Å²	63	71.3 Å²	71.3	44%	0.441	37%	0.365	S	S	.	.	H	α-helix	trans	-61.4	-44.6	176	-171.5	0	0	0	0	111.7	E47 T48 D49 S54 N55	E47-S51 WeakPolarHBondContact O-CB 3.4Å; E47-S51 PolarHBondContact O-N 3.01Å; T48-S51 PolarHBondContact O-N 2.96Å; D49-S51 VanDerWaalsContact C-N 3.34Å; D49-S51 PolarHBondContact O-N 2.85Å; S51-S54 PolarHBondContact O-N 3.01Å; S51-N55 WeakPolarHBondContact O-CB 3.13Å; S51-N55 PolarHBondContact O-N 3.3Å; S51-N55 PolarHBondContact O-ND2 3.22Å
52	N	80	Confident	71.1	Confident	37 Å²	37	69.6 Å²	69.6	20%	0.198	36%	0.356	C	S	.	.	H	α-helix	trans	-60.8	-48.1	176.1	-73.8	-28.3	0	0	0	111.8	T48 D49 S54 N55 F56 F75	T48-N52 WeakPolarHBondContact O-CB 3.46Å; T48-N52 PolarHBondContact O-N 2.9Å; T48-N52 PolarHBondContact O-ND2 3.18Å; T48-N52 VanDerWaalsContact O-ND2 3.14Å; D49-N52 PolarHBondContact O-N 2.75Å; N52-S54 PolarHBondContact O-N 3.36Å; N52-N55 WeakPolarHBondContact O-CB 3.49Å; N52-N55 PolarHBondContact O-N 3.15Å; N52-F56 WeakPolarHBondContact O-CD2 3.11Å; N52-F56 PolarHBondContact O-N 2.68Å; N52-F75 HydrophobicContact CB-CZ 3.97Å
53	I	78.6	Confident	73.7	Confident	4 Å²	4	70.2 Å²	70.2	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-59.4	-47.1	176.7	-72.1	172.9	0	0	0	110.3	F45 D49 I50 N55 F56 I57 F71 F75 A86 L87	F45-I53 HydrophobicContact CD1-CD1 4.09Å; F45-I53 HydrophobicContact CE1-CD1 3.43Å; F45-I53 VanDerWaalsContact CE1-CD1 3.43Å; F45-I53 HydrophobicContact CZ-CD1 4.17Å; D49-I53 WeakPolarHBondContact O-CG1 3.5Å; D49-I53 PolarHBondContact O-N 2.84Å; I50-I53 PolarHBondContact O-N 3.22Å; I53-N55 VanDerWaalsContact C-N 3.28Å; I53-N55 PolarHBondContact O-N 3.41Å; I53-F56 PolarHBondContact O-N 3.26Å; I53-F56 VanDerWaalsContact O-N 3.14Å; I53-I57 HydrophobicContact CG2-CG2 4.32Å; I53-I57 WeakPolarHBondContact O-CG1 3.41Å; I53-I57 WeakPolarHBondContact O-CG2 3.18Å; I53-I57 PolarHBondContact O-N 2.98Å; I53-F71 HydrophobicContact CG1-CE2 4.34Å; I53-F71 HydrophobicContact CG1-CZ 4.49Å; I53-F75 HydrophobicContact CD1-CE1 4.39Å; I53-F75 HydrophobicContact CD1-CZ 4.34Å; I53-F75 HydrophobicContact CG1-CE1 4.22Å; I53-F75 HydrophobicContact CG1-CE2 4.3Å; I53-F75 HydrophobicContact CG1-CZ 3.69Å; I53-A86 HydrophobicContact CD1-CB 4.38Å; I53-L87 HydrophobicContact CG2-CD2 3.91Å
54	S	78.7	Confident	76.3	Confident	36 Å²	36	65.5 Å²	65.5	25%	0.252	34%	0.337	S	S	.	.	H	α-helix	trans	-56.8	-40.2	175.9	-171.1	0	0	0	0	112.3	I50 S51 N52 I57 R58	I50-S54 WeakPolarHBondContact O-CB 3.46Å; I50-S54 PolarHBondContact O-N 3.3Å; S51-S54 PolarHBondContact O-N 3.01Å; N52-S54 PolarHBondContact O-N 3.36Å; S54-I57 WeakPolarHBondContact O-CG1 3.47Å; S54-R58 WeakPolarHBondContact O-CB 3.31Å; S54-R58 VanDerWaalsContact O-CD 3.31Å; S54-R58 WeakPolarHBondContact O-CD 3.46Å; S54-R58 WeakPolarHBondContact O-CG 3.35Å; S54-R58 PolarHBondContact O-N 3.03Å; S54-R58 PolarHBondContact OG-NE 2.97Å
55	N	85.7	Confident	78.6	Confident	93 Å²	93	60.3 Å²	60.3	50%	0.497	32%	0.316	S	S	.	.	H	α-helix	trans	-69	-41.3	175.4	-69	-37.7	0	0	0	112.6	S51 N52 I53 R58 T59	S51-N55 WeakPolarHBondContact O-CB 3.13Å; S51-N55 PolarHBondContact O-N 3.3Å; S51-N55 PolarHBondContact O-ND2 3.22Å; N52-N55 WeakPolarHBondContact O-CB 3.49Å; N52-N55 PolarHBondContact O-N 3.15Å; I53-N55 VanDerWaalsContact C-N 3.28Å; I53-N55 PolarHBondContact O-N 3.41Å; N55-R58 PolarHBondContact O-N 3.46Å; N55-T59 PolarHBondContact O-N 3.25Å; N55-T59 PolarHBondContact O-OG1 3.29Å
56	F	89.1	Confident	80.8	Confident	22 Å²	22	59.6 Å²	59.6	10%	0.096	32%	0.319	C	S	.	.	H	α-helix	trans	-66.2	-45.9	178.1	-81.2	-65.6	0	0	0	112.3	N52 I53 R58 T59 L67 T70 F71 Q74 F75 I110	N52-F56 WeakPolarHBondContact O-CD2 3.11Å; N52-F56 PolarHBondContact O-N 2.68Å; I53-F56 PolarHBondContact O-N 3.26Å; I53-F56 VanDerWaalsContact O-N 3.14Å; F56-R58 VanDerWaalsContact C-N 3.27Å; F56-R58 PolarHBondContact O-N 3.02Å; F56-T59 VanDerWaalsContact O-CB 3.25Å; F56-T59 WeakPolarHBondContact O-CB 3.43Å; F56-T59 PolarHBondContact O-N 3.04Å; F56-T59 VanDerWaalsContact O-N 3.11Å; F56-T59 PolarHBondContact O-OG1 2.9Å; F56-L67 HydrophobicContact CB-CD1 4.41Å; F56-L67 HydrophobicContact CD1-CD1 3.78Å; F56-T70 HydrophobicContact CE1-CG2 3.88Å; F56-T70 HydrophobicContact CZ-CG2 3.99Å; F56-F71 HydrophobicContact CB-CD2 3.99Å; F56-F71 HydrophobicContact CB-CE2 4.33Å; F56-F71 HydrophobicContact CD1-CD2 4.37Å; F56-F71 AromaticContact CD2-CD2 3.89Å; F56-F71 HydrophobicContact CD2-CD2 3.89Å; F56-F71 HydrophobicContact CD2-CE2 4.29Å; F56-F71 HydrophobicContact CE2-CD2 4.49Å; F56-F71 AromaticContact CG-CD2 3.84Å; F56-F71 HydrophobicContact CG-CD2 3.84Å; F56-F71 HydrophobicContact CG-CE2 4.45Å; F56-Q74 HydrophobicContact CE2-CB 4.19Å; F56-Q74 HydrophobicContact CE2-CG 4.01Å; F56-Q74 HydrophobicContact CZ-CB 4.19Å; F56-Q74 HydrophobicContact CZ-CG 4.37Å; F56-F75 AromaticContact CD2-CE2 3.96Å; F56-F75 HydrophobicContact CD2-CE2 3.96Å; F56-F75 AromaticContact CE2-CE2 3.91Å; F56-F75 HydrophobicContact CE2-CE2 3.91Å; F56-I110 HydrophobicContact CB-CD1 4.47Å
57	I	86.5	Confident	82.5	Confident	3 Å²	3	58 Å²	58	2%	0.015	31%	0.309	C	S	.	.	H	α-helix	trans	-66.7	-29.9	179.3	68.7	-173.5	0	0	0	111.9	I53 S54 T59 L87 C90 R103 N106 I107 I110	I53-I57 HydrophobicContact CG2-CG2 4.32Å; I53-I57 WeakPolarHBondContact O-CG1 3.41Å; I53-I57 WeakPolarHBondContact O-CG2 3.18Å; I53-I57 PolarHBondContact O-N 2.98Å; S54-I57 WeakPolarHBondContact O-CG1 3.47Å; I57-T59 VanDerWaalsContact C-N 3.31Å; I57-T59 PolarHBondContact O-N 3.25Å; I57-L87 HydrophobicContact CG2-CD2 3.71Å; I57-C90 HydrophobicContact CD1-CB 3.96Å; I57-R103 HydrophobicContact CB-CG 4.32Å; I57-R103 HydrophobicContact CD1-CG 4.01Å; I57-R103 HydrophobicContact CG1-CG 4.16Å; I57-R103 WeakPolarHBondContact O-CA 3.41Å; I57-N106 PolarHBondContact O-ND2 3.06Å; I57-I107 HydrophobicContact CB-CG1 4.17Å; I57-I107 HydrophobicContact CG2-CD1 4.38Å; I57-I107 HydrophobicContact CG2-CG1 3.62Å; I57-I110 HydrophobicContact CG2-CD1 4.38Å
58	R	88.1	Confident	84.1	Confident	166 Å²	166	49.7 Å²	49.7	63%	0.626	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	0.9	174.7	-64.6	170.5	-166.3	-112.9	-1.1	114.2	S54 N55 F56 T60	S54-R58 WeakPolarHBondContact O-CB 3.31Å; S54-R58 VanDerWaalsContact O-CD 3.31Å; S54-R58 WeakPolarHBondContact O-CD 3.46Å; S54-R58 WeakPolarHBondContact O-CG 3.35Å; S54-R58 PolarHBondContact O-N 3.03Å; S54-R58 PolarHBondContact OG-NE 2.97Å; N55-R58 PolarHBondContact O-N 3.46Å; F56-R58 VanDerWaalsContact C-N 3.27Å; F56-R58 PolarHBondContact O-N 3.02Å; R58-T60 PolarHBondContact O-N 3.03Å
59	T	88.4	Confident	85.2	Confident	25 Å²	25	48.1 Å²	48.1	15%	0.153	26%	0.257	C	S	.	.			trans	-71.7	127.4	-174.4	-69.9	0	0	0	0	112.4	N55 F56 I57 N61 K62 L67 N106	N55-T59 PolarHBondContact O-N 3.25Å; N55-T59 PolarHBondContact O-OG1 3.29Å; F56-T59 VanDerWaalsContact O-CB 3.25Å; F56-T59 WeakPolarHBondContact O-CB 3.43Å; F56-T59 PolarHBondContact O-N 3.04Å; F56-T59 VanDerWaalsContact O-N 3.11Å; F56-T59 PolarHBondContact O-OG1 2.9Å; I57-T59 VanDerWaalsContact C-N 3.31Å; I57-T59 PolarHBondContact O-N 3.25Å; T59-N61 WeakPolarHBondContact CG2-OD1 3.46Å; T59-K62 HydrophobicContact CG2-CB 3.9Å; T59-K62 HydrophobicContact CG2-CD 4.16Å; T59-K62 HydrophobicContact CG2-CG 3.84Å; T59-L67 HydrophobicContact CG2-CD1 4.43Å; T59-N106 PolarHBondContact O-ND2 2.64Å
60	T	87.1	Confident	86.5	Confident	68 Å²	68	49.1 Å²	49.1	42%	0.417	26%	0.264	S	S	.	.			trans	-108.2	-19.4	-177.8	56.4	0	0	0	0	114.6	R58 I102 P173	R58-T60 PolarHBondContact O-N 3.03Å; T60-I102 HydrophobicContact CG2-CD1 4.17Å; T60-I102 HydrophobicContact CG2-CG2 4.25Å; T60-P173 WeakPolarHBondContact O-CD 3.14Å
61	N	89.5	Confident	87.8	Confident	132 Å²	132	44.5 Å²	44.5	71%	0.706	24%	0.241	S	C	*	.	S	Bend	trans	-105.4	-0	-166.5	67.7	-11.8	0	0	0	114.9	T59	T59-N61 WeakPolarHBondContact CG2-OD1 3.46Å
62	K	90.9	Very high	88.6	Confident	60 Å²	60	42.6 Å²	42.6	26%	0.261	23%	0.226	S	C	.	.	S	Bend	trans	-101.6	141.7	174.7	-68	-171.3	177.4	-176.2	0	110.4	T59 L67 T70 T171	T59-K62 HydrophobicContact CG2-CB 3.9Å; T59-K62 HydrophobicContact CG2-CD 4.16Å; T59-K62 HydrophobicContact CG2-CG 3.84Å; K62-L67 HydrophobicContact CB-CB 4.21Å; K62-T70 VanDerWaalsContact NZ-CG2 3.35Å; K62-T70 PolarHBondContact NZ-OG1 2.75Å; K62-T171 WeakPolarHBondContact O-CA 3.32Å
63	S	95	Very high	88.9	Confident	33 Å²	33	47.7 Å²	47.7	23%	0.231	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-67.1	154.1	165.2	63.4	0	0	0	0	109.9	N65 S66 L67 L170	S63-N65 VanDerWaalsContact C-N 3.31Å; S63-N65 PolarHBondContact O-N 3.08Å; S63-S66 CarbonylContact O-C 3.46Å; S63-S66 WeakPolarHBondContact O-CA 3.47Å; S63-S66 WeakPolarHBondContact O-CB 3.47Å; S63-S66 PolarHBondContact O-N 3.15Å; S63-S66 WeakPolarHBondContact OG-CB 3.22Å; S63-S66 PolarHBondContact OG-N 3.18Å; S63-L67 WeakPolarHBondContact O-CB 3.47Å; S63-L67 PolarHBondContact O-N 2.91Å; S63-L170 CarbonylContact C-O 3.58Å; S63-L170 WeakPolarHBondContact CA-O 3.27Å
64	F	92.7	Very high	89.2	Confident	1 Å²	1	52.3 Å²	52.3	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-51.7	-46.8	179.6	-76.1	-60.9	0	0	0	112.8	S66 L67 G68 L105 Y109 L155 V167 L170 A172 F175	F64-S66 PolarHBondContact O-N 3.3Å; F64-L67 WeakPolarHBondContact O-CB 3.45Å; F64-L67 PolarHBondContact O-N 2.6Å; F64-G68 PolarHBondContact O-N 2.66Å; F64-L105 HydrophobicContact CE1-CB 4.41Å; F64-L105 HydrophobicContact CZ-CB 4.18Å; F64-Y109 HydrophobicContact CB-CD1 3.84Å; F64-Y109 HydrophobicContact CB-CD2 3.72Å; F64-Y109 HydrophobicContact CB-CE1 3.85Å; F64-Y109 HydrophobicContact CB-CE2 3.7Å; F64-Y109 HydrophobicContact CB-CG 3.79Å; F64-Y109 AromaticContact CD1-CD1 3.99Å; F64-Y109 HydrophobicContact CD1-CD1 3.99Å; F64-Y109 HydrophobicContact CD1-CD2 4.04Å; F64-Y109 AromaticContact CD1-CG 3.56Å; F64-Y109 HydrophobicContact CD1-CG 3.56Å; F64-Y109 HydrophobicContact CE1-CG 4.41Å; F64-Y109 HydrophobicContact CG-CD1 4.34Å; F64-Y109 AromaticContact CG-CD2 3.96Å; F64-Y109 HydrophobicContact CG-CD2 3.96Å; F64-Y109 HydrophobicContact CG-CE2 4.42Å; F64-Y109 AromaticContact CG-CG 3.92Å; F64-Y109 HydrophobicContact CG-CG 3.92Å; F64-Y109 WeakPolarHBondContact O-CD1 3.38Å; F64-Y109 WeakPolarHBondContact O-CE1 3.4Å; F64-L155 HydrophobicContact CE1-CD2 4.2Å; F64-L155 HydrophobicContact CE2-CD1 4.49Å; F64-L155 HydrophobicContact CZ-CD2 3.96Å; F64-V167 HydrophobicContact CD2-CB 4.41Å; F64-L170 WeakPolarHBondContact CD2-O 3Å; F64-L170 PolarHBondContact N-O 3.27Å; F64-A172 HydrophobicContact CE1-CB 4.29Å; F64-A172 HydrophobicContact CZ-CB 4.01Å; F64-F175 HydrophobicContact CE2-CB 3.82Å; F64-F175 HydrophobicContact CE2-CD2 4.29Å; F64-F175 HydrophobicContact CE2-CG 4.05Å; F64-F175 HydrophobicContact CZ-CB 4.39Å
65	N	92.5	Very high	89.3	Confident	45 Å²	45	50.7 Å²	50.7	24%	0.241	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-39.2	177.9	-171.2	-23.5	0	0	0	112	S63 G68 N69 E168	S63-N65 VanDerWaalsContact C-N 3.31Å; S63-N65 PolarHBondContact O-N 3.08Å; N65-G68 PolarHBondContact O-N 3.37Å; N65-N69 WeakPolarHBondContact O-CB 3.48Å; N65-N69 PolarHBondContact O-N 3.28Å; N65-N69 PolarHBondContact O-ND2 3.39Å; N65-N69 PolarHBondContact O-OD1 2.83Å; N65-N69 PolarHBondContact OD1-ND2 3.25Å; N65-N69 PolarHBondContact OD1-OD1 2.81Å; N65-E168 HydrophobicContact CB-CB 3.86Å; N65-E168 HydrophobicContact CB-CG 4.12Å; N65-E168 VanDerWaalsContact CB-O 3.22Å; N65-E168 WeakPolarHBondContact CB-O 3.4Å; N65-E168 PolarHBondContact N-O 3.11Å; N65-E168 PolarHBondContact ND2-OE2 2.92Å
66	S	93.1	Very high	88.6	Confident	50 Å²	50	49.8 Å²	49.8	35%	0.35	26%	0.256	S	S	.	.	H	α-helix	trans	-67.2	-38.5	174.5	178.2	0	0	0	0	113	S63 F64 T70	S63-S66 CarbonylContact O-C 3.46Å; S63-S66 WeakPolarHBondContact O-CA 3.47Å; S63-S66 WeakPolarHBondContact O-CB 3.47Å; S63-S66 PolarHBondContact O-N 3.15Å; S63-S66 WeakPolarHBondContact OG-CB 3.22Å; S63-S66 PolarHBondContact OG-N 3.18Å; F64-S66 PolarHBondContact O-N 3.3Å; S66-T70 PolarHBondContact O-N 3.43Å; S66-T70 PolarHBondContact O-OG1 3.21Å
67	L	93.2	Very high	87.4	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-60.7	-55.1	173.3	176.2	67.3	0	0	0	109.9	F56 T59 K62 S63 F64 N69 T70 F71 N106 I110	F56-L67 HydrophobicContact CB-CD1 4.41Å; F56-L67 HydrophobicContact CD1-CD1 3.78Å; T59-L67 HydrophobicContact CG2-CD1 4.43Å; K62-L67 HydrophobicContact CB-CB 4.21Å; S63-L67 WeakPolarHBondContact O-CB 3.47Å; S63-L67 PolarHBondContact O-N 2.91Å; F64-L67 WeakPolarHBondContact O-CB 3.45Å; F64-L67 PolarHBondContact O-N 2.6Å; L67-N69 PolarHBondContact O-N 2.78Å; L67-T70 PolarHBondContact O-N 2.98Å; L67-F71 VanDerWaalsContact O-CB 3.3Å; L67-F71 WeakPolarHBondContact O-CB 3.08Å; L67-F71 PolarHBondContact O-N 3.33Å; L67-N106 HydrophobicContact CD2-CB 3.91Å; L67-N106 WeakPolarHBondContact CD2-OD1 3.43Å; L67-I110 HydrophobicContact CD2-CD1 4.23Å; L67-I110 HydrophobicContact CD2-CG1 4.27Å; L67-I110 HydrophobicContact CG-CD1 4.4Å; L67-I110 HydrophobicContact CG-CG1 4.39Å
68	G	89.2	Confident	86.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.5	-44.8	179.2	0	0	0	0	0	112.9	F64 N65 F71 V72	F64-G68 PolarHBondContact O-N 2.66Å; N65-G68 PolarHBondContact O-N 3.37Å; G68-F71 PolarHBondContact O-N 3.02Å; G68-V72 WeakPolarHBondContact O-CB 3.37Å; G68-V72 VanDerWaalsContact O-CG2 3.22Å; G68-V72 WeakPolarHBondContact O-CG2 3.31Å; G68-V72 PolarHBondContact O-N 3.45Å
69	N	92	Very high	85.4	Confident	59 Å²	59	49.2 Å²	49.2	32%	0.316	27%	0.266	S	S	.	.	H	α-helix	trans	-66.7	-43.5	178	-60.7	-14	0	0	0	111.8	N65 L67 F71 V72 E73 R113	N65-N69 WeakPolarHBondContact O-CB 3.48Å; N65-N69 PolarHBondContact O-N 3.28Å; N65-N69 PolarHBondContact O-ND2 3.39Å; N65-N69 PolarHBondContact O-OD1 2.83Å; N65-N69 PolarHBondContact OD1-ND2 3.25Å; N65-N69 PolarHBondContact OD1-OD1 2.81Å; L67-N69 PolarHBondContact O-N 2.78Å; N69-F71 VanDerWaalsContact C-N 3.27Å; N69-F71 PolarHBondContact O-N 3.19Å; N69-V72 PolarHBondContact O-N 3.04Å; N69-E73 WeakPolarHBondContact O-CB 3.29Å; N69-E73 VanDerWaalsContact O-CG 3.26Å; N69-E73 WeakPolarHBondContact O-CG 3.17Å; N69-E73 PolarHBondContact O-N 3.34Å; N69-R113 PolarHBondContact OD1-NH1 3.1Å; N69-R113 PolarHBondContact OD1-NH2 2.86Å
70	T	91.3	Very high	84.5	Confident	35 Å²	35	48 Å²	48	22%	0.215	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-39.2	175.8	-39.1	0	0	0	0	110.9	F56 K62 S66 L67 Q74	F56-T70 HydrophobicContact CE1-CG2 3.88Å; F56-T70 HydrophobicContact CZ-CG2 3.99Å; K62-T70 VanDerWaalsContact NZ-CG2 3.35Å; K62-T70 PolarHBondContact NZ-OG1 2.75Å; S66-T70 PolarHBondContact O-N 3.43Å; S66-T70 PolarHBondContact O-OG1 3.21Å; L67-T70 PolarHBondContact O-N 2.98Å; T70-Q74 VanDerWaalsContact O-CB 3.3Å; T70-Q74 WeakPolarHBondContact O-CB 3.44Å; T70-Q74 PolarHBondContact O-N 3.45Å
71	F	91.7	Very high	83.3	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.009	25%	0.25	C	C	.	.	H	α-helix	trans	-65	-48.7	179.5	-169.6	-81.8	0	0	0	110.7	I53 F56 L67 G68 N69 E73 Q74 F75 I83 I110 L114	I53-F71 HydrophobicContact CG1-CE2 4.34Å; I53-F71 HydrophobicContact CG1-CZ 4.49Å; F56-F71 HydrophobicContact CB-CD2 3.99Å; F56-F71 HydrophobicContact CB-CE2 4.33Å; F56-F71 HydrophobicContact CD1-CD2 4.37Å; F56-F71 AromaticContact CD2-CD2 3.89Å; F56-F71 HydrophobicContact CD2-CD2 3.89Å; F56-F71 HydrophobicContact CD2-CE2 4.29Å; F56-F71 HydrophobicContact CE2-CD2 4.49Å; F56-F71 AromaticContact CG-CD2 3.84Å; F56-F71 HydrophobicContact CG-CD2 3.84Å; F56-F71 HydrophobicContact CG-CE2 4.45Å; L67-F71 VanDerWaalsContact O-CB 3.3Å; L67-F71 WeakPolarHBondContact O-CB 3.08Å; L67-F71 PolarHBondContact O-N 3.33Å; G68-F71 PolarHBondContact O-N 3.02Å; N69-F71 VanDerWaalsContact C-N 3.27Å; N69-F71 PolarHBondContact O-N 3.19Å; F71-E73 VanDerWaalsContact C-N 3.34Å; F71-E73 PolarHBondContact O-N 3.36Å; F71-Q74 PolarHBondContact O-N 2.87Å; F71-F75 AromaticContact CD1-CD2 3.9Å; F71-F75 HydrophobicContact CD1-CD2 3.9Å; F71-F75 AromaticContact CD2-CD2 3.93Å; F71-F75 HydrophobicContact CD2-CD2 3.93Å; F71-F75 AromaticContact CD2-CE2 3.9Å; F71-F75 HydrophobicContact CD2-CE2 3.9Å; F71-F75 HydrophobicContact CE1-CB 4.35Å; F71-F75 AromaticContact CE1-CD2 3.7Å; F71-F75 HydrophobicContact CE1-CD2 3.7Å; F71-F75 HydrophobicContact CE1-CE2 4.34Å; F71-F75 HydrophobicContact CE1-CG 4.15Å; F71-F75 AromaticContact CE2-CD2 3.74Å; F71-F75 HydrophobicContact CE2-CD2 3.74Å; F71-F75 AromaticContact CE2-CE2 3.55Å; F71-F75 HydrophobicContact CE2-CE2 3.55Å; F71-F75 HydrophobicContact CE2-CZ 4.44Å; F71-F75 HydrophobicContact CG-CD2 4.01Å; F71-F75 HydrophobicContact CG-CE2 4.44Å; F71-F75 AromaticContact CZ-CD2 3.61Å; F71-F75 HydrophobicContact CZ-CD2 3.61Å; F71-F75 AromaticContact CZ-CE2 3.79Å; F71-F75 HydrophobicContact CZ-CE2 3.79Å; F71-F75 HydrophobicContact CZ-CG 4.24Å; F71-F75 WeakPolarHBondContact O-CB 3.49Å; F71-F75 WeakPolarHBondContact O-CD2 3Å; F71-F75 PolarHBondContact O-N 3.23Å; F71-I83 HydrophobicContact CE1-CG2 3.81Å; F71-I83 HydrophobicContact CZ-CG2 3.59Å; F71-I110 HydrophobicContact CD1-CG2 3.73Å; F71-I110 HydrophobicContact CD2-CD1 3.87Å; F71-I110 HydrophobicContact CD2-CG1 4.25Å; F71-I110 HydrophobicContact CD2-CG2 4.05Å; F71-I110 HydrophobicContact CE1-CG2 3.56Å; F71-I110 HydrophobicContact CE2-CD1 4.12Å; F71-I110 HydrophobicContact CE2-CG2 3.88Å; F71-I110 HydrophobicContact CG-CD1 4.47Å; F71-I110 HydrophobicContact CG-CG1 4.36Å; F71-I110 HydrophobicContact CG-CG2 3.99Å; F71-I110 HydrophobicContact CZ-CG2 3.64Å; F71-L114 HydrophobicContact CE1-CD2 3.86Å
72	V	86.9	Confident	81.9	Confident	22 Å²	22	41.2 Å²	41.2	13%	0.133	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-42.9	176.7	169.8	0	0	0	0	111.4	G68 N69 F75 T76 R113 D116 L117	G68-V72 WeakPolarHBondContact O-CB 3.37Å; G68-V72 VanDerWaalsContact O-CG2 3.22Å; G68-V72 WeakPolarHBondContact O-CG2 3.31Å; G68-V72 PolarHBondContact O-N 3.45Å; N69-V72 PolarHBondContact O-N 3.04Å; V72-F75 PolarHBondContact O-N 3.25Å; V72-T76 WeakPolarHBondContact O-CA 2.95Å; V72-T76 WeakPolarHBondContact O-CB 3.36Å; V72-T76 PolarHBondContact O-N 2.96Å; V72-T76 PolarHBondContact O-OG1 2.83Å; V72-R113 HydrophobicContact CG2-CB 4.49Å; V72-D116 HydrophobicContact CG1-CB 3.88Å; V72-D116 HydrophobicContact CG2-CB 3.78Å; V72-L117 HydrophobicContact CB-CD2 4.32Å; V72-L117 HydrophobicContact CG1-CD2 4.26Å; V72-L117 HydrophobicContact CG2-CD2 4.35Å
73	E	87.2	Confident	80.9	Confident	144 Å²	144	38.4 Å²	38.4	67%	0.673	21%	0.21	S	C	*	.	H	α-helix	trans	-63.6	-39.2	174.7	-74.5	170.1	-171.2	0	0	113	N69 F71 T76	N69-E73 WeakPolarHBondContact O-CB 3.29Å; N69-E73 VanDerWaalsContact O-CG 3.26Å; N69-E73 WeakPolarHBondContact O-CG 3.17Å; N69-E73 PolarHBondContact O-N 3.34Å; F71-E73 VanDerWaalsContact C-N 3.34Å; F71-E73 PolarHBondContact O-N 3.36Å; E73-T76 WeakPolarHBondContact CA-OG1 3.04Å; E73-T76 PolarHBondContact O-OG1 2.69Å; E73-T76 VanDerWaalsContact O-OG1 3.14Å
74	Q	85.3	Confident	79.9	Confident	102 Å²	102	38.9 Å²	38.9	48%	0.477	21%	0.207	S	C	.	.	H	α-helix	trans	-69.8	-39.5	178.5	-173.5	73.8	21.2	0	0	111.9	F56 T70 F71	F56-Q74 HydrophobicContact CE2-CB 4.19Å; F56-Q74 HydrophobicContact CE2-CG 4.01Å; F56-Q74 HydrophobicContact CZ-CB 4.19Å; F56-Q74 HydrophobicContact CZ-CG 4.37Å; T70-Q74 VanDerWaalsContact O-CB 3.3Å; T70-Q74 WeakPolarHBondContact O-CB 3.44Å; T70-Q74 PolarHBondContact O-N 3.45Å; F71-Q74 PolarHBondContact O-N 2.87Å
75	F	80	Confident	78.5	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.009	24%	0.236	C	C	.	.	H	α-helix	trans	-104.7	13.5	-171.1	-69.5	-81.2	0	0	0	113.6	D49 N52 I53 F56 F71 V72 N77 R78 I83 L117	D49-F75 HydrophobicContact CB-CE1 4.24Å; N52-F75 HydrophobicContact CB-CZ 3.97Å; I53-F75 HydrophobicContact CD1-CE1 4.39Å; I53-F75 HydrophobicContact CD1-CZ 4.34Å; I53-F75 HydrophobicContact CG1-CE1 4.22Å; I53-F75 HydrophobicContact CG1-CE2 4.3Å; I53-F75 HydrophobicContact CG1-CZ 3.69Å; F56-F75 AromaticContact CD2-CE2 3.96Å; F56-F75 HydrophobicContact CD2-CE2 3.96Å; F56-F75 AromaticContact CE2-CE2 3.91Å; F56-F75 HydrophobicContact CE2-CE2 3.91Å; F71-F75 AromaticContact CD1-CD2 3.9Å; F71-F75 HydrophobicContact CD1-CD2 3.9Å; F71-F75 AromaticContact CD2-CD2 3.93Å; F71-F75 HydrophobicContact CD2-CD2 3.93Å; F71-F75 AromaticContact CD2-CE2 3.9Å; F71-F75 HydrophobicContact CD2-CE2 3.9Å; F71-F75 HydrophobicContact CE1-CB 4.35Å; F71-F75 AromaticContact CE1-CD2 3.7Å; F71-F75 HydrophobicContact CE1-CD2 3.7Å; F71-F75 HydrophobicContact CE1-CE2 4.34Å; F71-F75 HydrophobicContact CE1-CG 4.15Å; F71-F75 AromaticContact CE2-CD2 3.74Å; F71-F75 HydrophobicContact CE2-CD2 3.74Å; F71-F75 AromaticContact CE2-CE2 3.55Å; F71-F75 HydrophobicContact CE2-CE2 3.55Å; F71-F75 HydrophobicContact CE2-CZ 4.44Å; F71-F75 HydrophobicContact CG-CD2 4.01Å; F71-F75 HydrophobicContact CG-CE2 4.44Å; F71-F75 AromaticContact CZ-CD2 3.61Å; F71-F75 HydrophobicContact CZ-CD2 3.61Å; F71-F75 AromaticContact CZ-CE2 3.79Å; F71-F75 HydrophobicContact CZ-CE2 3.79Å; F71-F75 HydrophobicContact CZ-CG 4.24Å; F71-F75 WeakPolarHBondContact O-CB 3.49Å; F71-F75 WeakPolarHBondContact O-CD2 3Å; F71-F75 PolarHBondContact O-N 3.23Å; V72-F75 PolarHBondContact O-N 3.25Å; F75-N77 PolarHBondContact O-N 3.1Å; F75-R78 HydrophobicContact CB-CB 4.34Å; F75-R78 HydrophobicContact CD1-CB 4.21Å; F75-R78 HydrophobicContact CD1-CG 3.99Å; F75-R78 WeakPolarHBondContact O-CB 3.06Å; F75-R78 PolarHBondContact O-N 3.06Å; F75-I83 HydrophobicContact CB-CD1 3.74Å; F75-I83 HydrophobicContact CD1-CD1 3.83Å; F75-I83 HydrophobicContact CD1-CG1 4.41Å; F75-I83 HydrophobicContact CG-CD1 3.95Å; F75-L117 HydrophobicContact CB-CD1 4.48Å; F75-L117 HydrophobicContact CB-CD2 3.99Å; F75-L117 WeakPolarHBondContact O-CD2 3.22Å
76	T	71.9	Confident	77.1	Confident	73 Å²	73	44 Å²	44	45%	0.448	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-18.9	-170.1	-47.9	0	0	0	0	116.1	V72 E73	V72-T76 WeakPolarHBondContact O-CA 2.95Å; V72-T76 WeakPolarHBondContact O-CB 3.36Å; V72-T76 PolarHBondContact O-N 2.96Å; V72-T76 PolarHBondContact O-OG1 2.83Å; E73-T76 WeakPolarHBondContact CA-OG1 3.04Å; E73-T76 PolarHBondContact O-OG1 2.69Å; E73-T76 VanDerWaalsContact O-OG1 3.14Å
77	N	63.5	Low	76.1	Confident	109 Å²	109	41.6 Å²	41.6	58%	0.583	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-3.9	178.2	-54.6	-84.5	0	0	0	113.7	F75	F75-N77 PolarHBondContact O-N 3.1Å
78	R	64.8	Low	74.8	Confident	39 Å²	39	43.3 Å²	43.3	15%	0.147	23%	0.231	C	C	.	.	S	Bend	trans	-92.9	145.8	-171.4	-66.4	-76.4	-164.7	-135.9	21.1	110.4	E41 D42 D49 F75 S80 I83	E41-R78 VanDerWaalsContact C-NH1 3.3Å; E41-R78 PolarHBondContact O-NE 3.07Å; E41-R78 PolarHBondContact O-NH1 2.93Å; E41-R78 VanDerWaalsContact O-NH1 3.13Å; E41-R78 IonicContact OE2-NH1 3.15Å; E41-R78 IonicContact OE2-NH2 3.51Å; D42-R78 VanDerWaalsContact OD1-CD 3.28Å; D42-R78 WeakPolarHBondContact OD1-CD 3.35Å; D42-R78 IonicContact OD1-CZ 2.82Å; D42-R78 IonicContact OD1-NE 3.2Å; D42-R78 IonicContact OD1-NH1 3.5Å; D42-R78 PolarHBondContact OD1-NH1 2.74Å; D49-R78 IonicContact OD1-NE 2.7Å; D49-R78 IonicContact OD2-CZ 2.72Å; D49-R78 IonicContact OD2-NE 3.34Å; D49-R78 PolarHBondContact OD2-NE 3.43Å; D49-R78 IonicContact OD2-NH2 2.74Å; D49-R78 PolarHBondContact OD2-NH2 2.8Å; F75-R78 HydrophobicContact CB-CB 4.34Å; F75-R78 HydrophobicContact CD1-CB 4.21Å; F75-R78 HydrophobicContact CD1-CG 3.99Å; F75-R78 WeakPolarHBondContact O-CB 3.06Å; F75-R78 PolarHBondContact O-N 3.06Å; R78-S80 PolarHBondContact O-N 3.35Å; R78-I83 HydrophobicContact CB-CD1 3.77Å
79	C	66.9	Low	73.6	Confident	31 Å²	31	49 Å²	49	21%	0.209	27%	0.266	C	S	.	.			trans	-64.8	126.3	-178.3	-178.7	0	0	0	0	111.5	D42 L81 A82 I83	D42-C79 VanDerWaalsContact O-CB 3.31Å; D42-C79 WeakPolarHBondContact O-CB 3.44Å; D42-C79 PolarHBondContact O-N 2.89Å; D42-C79 VanDerWaalsContact O-N 3.11Å; C79-L81 VanDerWaalsContact C-N 3.27Å; C79-L81 PolarHBondContact O-N 2.85Å; C79-A82 HydrophobicContact CB-CB 4.12Å; C79-A82 PolarHBondContact O-N 2.98Å; C79-I83 WeakPolarHBondContact O-CG1 3.25Å; C79-I83 PolarHBondContact O-N 3.24Å; C79-I83 VanDerWaalsContact O-N 3.16Å
80	S	68.8	Low	72.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68.1	-28.4	-176.2	79	0	0	0	0	112.7	R78 F84 E118 R122 Y137	R78-S80 PolarHBondContact O-N 3.35Å; S80-F84 WeakPolarHBondContact O-CB 3.33Å; S80-F84 PolarHBondContact O-N 3.16Å; S80-E118 WeakPolarHBondContact CB-OE2 3.37Å; S80-E118 PolarHBondContact N-OE1 3.38Å; S80-E118 PolarHBondContact OG-OE1 3Å; S80-E118 PolarHBondContact OG-OE2 3.35Å; S80-R122 PolarHBondContact OG-NH2 2.99Å; S80-Y137 VanDerWaalsContact C-OH 3.24Å; S80-Y137 PolarHBondContact O-OH 3.33Å; S80-Y137 PolarHBondContact OG-OH 3.01Å
81	L	63.1	Low	71.5	Confident	43 Å²	43	47.8 Å²	47.8	23%	0.225	26%	0.26	C	S	.	.	H	α-helix	trans	-69.6	-43.3	174.5	179.9	64.2	0	0	0	112.4	C79 I83 F84 Q85 Y137 F239 I242	C79-L81 VanDerWaalsContact C-N 3.27Å; C79-L81 PolarHBondContact O-N 2.85Å; L81-I83 VanDerWaalsContact C-N 3.32Å; L81-I83 PolarHBondContact O-N 3.04Å; L81-F84 HydrophobicContact CD1-CD1 4.48Å; L81-F84 WeakPolarHBondContact O-CB 3.43Å; L81-F84 PolarHBondContact O-N 3.26Å; L81-Q85 PolarHBondContact O-N 3.45Å; L81-Y137 WeakPolarHBondContact CA-OH 3.32Å; L81-Y137 HydrophobicContact CD1-CE1 4.27Å; L81-Y137 PolarHBondContact N-OH 3.24Å; L81-F239 HydrophobicContact CD2-CD1 3.82Å; L81-F239 HydrophobicContact CD2-CE1 3.62Å; L81-I242 HydrophobicContact CD2-CG2 4.3Å
82	A	60.2	Low	70.6	Confident	14 Å²	14	52 Å²	52	12%	0.116	28%	0.279	C	S	.	.	H	α-helix	trans	-59	-49.2	175	0	0	0	0	0	109.7	F45 C79 F84 Q85 A86	F45-A82 HydrophobicContact CE2-CB 4.34Å; F45-A82 VanDerWaalsContact CE2-O 3.32Å; F45-A82 WeakPolarHBondContact CE2-O 3.37Å; F45-A82 VanDerWaalsContact CZ-C 3.4Å; F45-A82 HydrophobicContact CZ-CB 4.33Å; F45-A82 WeakPolarHBondContact CZ-O 3.39Å; C79-A82 HydrophobicContact CB-CB 4.12Å; C79-A82 PolarHBondContact O-N 2.98Å; A82-F84 VanDerWaalsContact C-N 3.35Å; A82-F84 PolarHBondContact O-N 3Å; A82-Q85 WeakPolarHBondContact O-CB 3.16Å; A82-Q85 PolarHBondContact O-N 3.19Å; A82-A86 PolarHBondContact O-N 2.96Å; A82-A86 VanDerWaalsContact O-N 3.15Å
83	I	68.8	Low	69.9	Low	2 Å²	2	54.3 Å²	54.3	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-55.7	-46.1	175.2	-66.5	167.5	0	0	0	111.9	F45 F71 F75 R78 C79 L81 Q85 A86 L87 L114 L117	F45-I83 HydrophobicContact CE1-CG1 4.26Å; F45-I83 HydrophobicContact CZ-CG1 4.5Å; F71-I83 HydrophobicContact CE1-CG2 3.81Å; F71-I83 HydrophobicContact CZ-CG2 3.59Å; F75-I83 HydrophobicContact CB-CD1 3.74Å; F75-I83 HydrophobicContact CD1-CD1 3.83Å; F75-I83 HydrophobicContact CD1-CG1 4.41Å; F75-I83 HydrophobicContact CG-CD1 3.95Å; R78-I83 HydrophobicContact CB-CD1 3.77Å; C79-I83 WeakPolarHBondContact O-CG1 3.25Å; C79-I83 PolarHBondContact O-N 3.24Å; C79-I83 VanDerWaalsContact O-N 3.16Å; L81-I83 VanDerWaalsContact C-N 3.32Å; L81-I83 PolarHBondContact O-N 3.04Å; I83-Q85 VanDerWaalsContact C-N 3.32Å; I83-Q85 PolarHBondContact O-N 2.83Å; I83-A86 PolarHBondContact O-N 2.95Å; I83-L87 HydrophobicContact CG2-CD1 3.7Å; I83-L87 HydrophobicContact CG2-CG 4.28Å; I83-L87 WeakPolarHBondContact O-CB 3.08Å; I83-L87 VanDerWaalsContact O-CG 3.25Å; I83-L87 WeakPolarHBondContact O-CG 3.09Å; I83-L87 PolarHBondContact O-N 2.97Å; I83-L114 HydrophobicContact CB-CD2 4.14Å; I83-L114 HydrophobicContact CG2-CD1 4.44Å; I83-L114 HydrophobicContact CG2-CD2 3.44Å; I83-L114 VanDerWaalsContact CG2-CD2 3.44Å; I83-L117 HydrophobicContact CD1-CD1 3.59Å
84	F	74.8	Confident	69	Low	42 Å²	42	55.9 Å²	55.9	18%	0.184	30%	0.297	C	S	.	.	H	α-helix	trans	-56.9	-44.4	174.8	173.5	-105.8	0	0	0	112	S80 L81 A82 A86 L87 A88 V111 L114 Y137 F140	S80-F84 WeakPolarHBondContact O-CB 3.33Å; S80-F84 PolarHBondContact O-N 3.16Å; L81-F84 HydrophobicContact CD1-CD1 4.48Å; L81-F84 WeakPolarHBondContact O-CB 3.43Å; L81-F84 PolarHBondContact O-N 3.26Å; A82-F84 VanDerWaalsContact C-N 3.35Å; A82-F84 PolarHBondContact O-N 3Å; F84-A86 PolarHBondContact O-N 2.96Å; F84-L87 PolarHBondContact O-N 2.82Å; F84-A88 HydrophobicContact CZ-CB 4.36Å; F84-A88 WeakPolarHBondContact O-CB 3Å; F84-A88 PolarHBondContact O-N 2.99Å; F84-V111 HydrophobicContact CD2-CG1 3.89Å; F84-V111 HydrophobicContact CD2-CG2 3.96Å; F84-V111 HydrophobicContact CE2-CG1 4Å; F84-V111 HydrophobicContact CE2-CG2 4.29Å; F84-L114 HydrophobicContact CB-CD1 3.78Å; F84-L114 HydrophobicContact CD2-CD1 4.45Å; F84-Y137 HydrophobicContact CB-CD1 4.13Å; F84-Y137 HydrophobicContact CB-CE1 3.76Å; F84-Y137 HydrophobicContact CB-CE2 4.37Å; F84-Y137 AromaticContact CD1-CD1 3.81Å; F84-Y137 HydrophobicContact CD1-CD1 3.81Å; F84-Y137 AromaticContact CD1-CE1 3.91Å; F84-Y137 HydrophobicContact CD1-CE1 3.91Å; F84-Y137 AromaticContact CD2-CD1 3.73Å; F84-Y137 HydrophobicContact CD2-CD1 3.73Å; F84-Y137 HydrophobicContact CD2-CD2 4.38Å; F84-Y137 HydrophobicContact CD2-CE1 4.26Å; F84-Y137 AromaticContact CD2-CG 3.83Å; F84-Y137 HydrophobicContact CD2-CG 3.83Å; F84-Y137 HydrophobicContact CE1-CD1 4.19Å; F84-Y137 HydrophobicContact CE2-CD1 4.13Å; F84-Y137 HydrophobicContact CE2-CG 4.21Å; F84-Y137 AromaticContact CG-CD1 3.58Å; F84-Y137 HydrophobicContact CG-CD1 3.58Å; F84-Y137 AromaticContact CG-CE1 3.68Å; F84-Y137 HydrophobicContact CG-CE1 3.68Å; F84-Y137 HydrophobicContact CG-CG 4.11Å; F84-Y137 HydrophobicContact CZ-CD1 4.34Å; F84-F140 HydrophobicContact CE2-CB 3.68Å; F84-F140 HydrophobicContact CE2-CD1 4.21Å; F84-F140 AromaticContact CE2-CD2 3.84Å; F84-F140 HydrophobicContact CE2-CD2 3.84Å; F84-F140 AromaticContact CE2-CG 3.63Å; F84-F140 HydrophobicContact CE2-CG 3.63Å; F84-F140 HydrophobicContact CZ-CB 3.77Å; F84-F140 HydrophobicContact CZ-CD2 4.02Å; F84-F140 HydrophobicContact CZ-CG 4.03Å
85	Q	62.6	Low	68.6	Low	132 Å²	132	52.2 Å²	52.2	62%	0.617	28%	0.283	S	S	*	.	H	α-helix	trans	-63.5	-43.5	-178.7	-170.6	167.7	-7.8	0	0	112.4	L81 A82 I83 A88 T89	L81-Q85 PolarHBondContact O-N 3.45Å; A82-Q85 WeakPolarHBondContact O-CB 3.16Å; A82-Q85 PolarHBondContact O-N 3.19Å; I83-Q85 VanDerWaalsContact C-N 3.32Å; I83-Q85 PolarHBondContact O-N 2.83Å; Q85-A88 PolarHBondContact O-N 2.93Å; Q85-T89 PolarHBondContact O-N 3.24Å; Q85-T89 PolarHBondContact O-OG1 3.4Å
86	A	63	Low	68.4	Low	21 Å²	21	59.7 Å²	59.7	17%	0.174	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-40.9	173.9	0	0	0	0	0	112.7	F45 I53 A82 I83 F84 A88 T89 C90	F45-A86 HydrophobicContact CD2-CB 4.32Å; F45-A86 HydrophobicContact CE1-CB 4.07Å; F45-A86 HydrophobicContact CE2-CB 3.49Å; F45-A86 VanDerWaalsContact CE2-CB 3.49Å; F45-A86 HydrophobicContact CZ-CB 3.3Å; I53-A86 HydrophobicContact CD1-CB 4.38Å; A82-A86 PolarHBondContact O-N 2.96Å; A82-A86 VanDerWaalsContact O-N 3.15Å; I83-A86 PolarHBondContact O-N 2.95Å; F84-A86 PolarHBondContact O-N 2.96Å; A86-A88 VanDerWaalsContact C-N 3.32Å; A86-A88 PolarHBondContact O-N 3.5Å; A86-T89 PolarHBondContact O-N 2.97Å; A86-C90 PolarHBondContact O-N 3.39Å; A86-C90 PolarHBondContact O-SG 3.43Å; A86-C90 VanDerWaalsContact O-SG 3.4Å
87	L	72.1	Confident	69	Low	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63	-39.2	176.3	-71.6	169.7	0	0	0	111.8	I53 I57 I83 F84 C90 F91 I107 I110 V111 L114	I53-L87 HydrophobicContact CG2-CD2 3.91Å; I57-L87 HydrophobicContact CG2-CD2 3.71Å; I83-L87 HydrophobicContact CG2-CD1 3.7Å; I83-L87 HydrophobicContact CG2-CG 4.28Å; I83-L87 WeakPolarHBondContact O-CB 3.08Å; I83-L87 VanDerWaalsContact O-CG 3.25Å; I83-L87 WeakPolarHBondContact O-CG 3.09Å; I83-L87 PolarHBondContact O-N 2.97Å; F84-L87 PolarHBondContact O-N 2.82Å; L87-C90 CarbonylContact O-C 3.27Å; L87-C90 PolarHBondContact O-N 3.15Å; L87-F91 PolarHBondContact O-N 3.03Å; L87-F91 VanDerWaalsContact O-N 3.1Å; L87-I107 HydrophobicContact CB-CG2 4.13Å; L87-I107 HydrophobicContact CD2-CG1 4.05Å; L87-I110 HydrophobicContact CD1-CB 4.38Å; L87-I110 HydrophobicContact CD1-CG2 3.57Å; L87-V111 HydrophobicContact CB-CG2 4.42Å; L87-V111 HydrophobicContact CD1-CG2 4.09Å; L87-L114 HydrophobicContact CD1-CD1 4.23Å; L87-L114 HydrophobicContact CD1-CD2 4.4Å
88	A	66.9	Low	69.9	Low	37 Å²	37	64.6 Å²	64.6	31%	0.306	33%	0.326	S	S	.	.	H	α-helix	trans	-66.4	-41.9	175	0	0	0	0	0	111.9	F84 Q85 A86 C90 F91	F84-A88 HydrophobicContact CZ-CB 4.36Å; F84-A88 WeakPolarHBondContact O-CB 3Å; F84-A88 PolarHBondContact O-N 2.99Å; Q85-A88 PolarHBondContact O-N 2.93Å; A86-A88 VanDerWaalsContact C-N 3.32Å; A86-A88 PolarHBondContact O-N 3.5Å; A88-C90 PolarHBondContact O-N 3.43Å; A88-F91 WeakPolarHBondContact O-CB 3.01Å; A88-F91 PolarHBondContact O-N 2.71Å
89	T	63.9	Low	70.9	Confident	120 Å²	120	68 Å²	68	74%	0.736	35%	0.347	S	S	*	.	H	α-helix	trans	-62.1	-31.9	172	-52.6	0	0	0	0	112.2	Q85 A86 F91	Q85-T89 PolarHBondContact O-N 3.24Å; Q85-T89 PolarHBondContact O-OG1 3.4Å; A86-T89 PolarHBondContact O-N 2.97Å; T89-F91 VanDerWaalsContact C-N 3.32Å
90	C	66.4	Low	71.7	Confident	41 Å²	41	68 Å²	68	28%	0.277	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-2.1	172.5	-68.6	0	0	0	0	114.5	I57 A86 L87 A88 E92 R103 I107	I57-C90 HydrophobicContact CD1-CB 3.96Å; A86-C90 PolarHBondContact O-N 3.39Å; A86-C90 PolarHBondContact O-SG 3.43Å; A86-C90 VanDerWaalsContact O-SG 3.4Å; L87-C90 CarbonylContact O-C 3.27Å; L87-C90 PolarHBondContact O-N 3.15Å; A88-C90 PolarHBondContact O-N 3.43Å; C90-E92 PolarHBondContact O-N 3.37Å; C90-R103 PolarHBondContact O-NH1 3.01Å; C90-I107 HydrophobicContact CB-CD1 4.05Å; C90-I107 WeakPolarHBondContact O-CD1 3.1Å
91	F	73.3	Confident	72.6	Confident	28 Å²	28	68.8 Å²	68.8	12%	0.123	35%	0.35	C	S	.	.			trans	-92	74.7	-175.7	-167.4	-100.9	0	0	0	111.8	L87 A88 T89 I93 R104 I107 I108 F140 A144 I147	L87-F91 PolarHBondContact O-N 3.03Å; L87-F91 VanDerWaalsContact O-N 3.1Å; A88-F91 WeakPolarHBondContact O-CB 3.01Å; A88-F91 PolarHBondContact O-N 2.71Å; T89-F91 VanDerWaalsContact C-N 3.32Å; F91-I93 HydrophobicContact CD1-CD1 4.35Å; F91-I93 HydrophobicContact CD1-CG1 4.18Å; F91-I93 HydrophobicContact CE1-CD1 4.03Å; F91-I93 HydrophobicContact CE1-CG1 3.97Å; F91-R104 HydrophobicContact CD2-CB 4.23Å; F91-R104 HydrophobicContact CD2-CG 3.91Å; F91-R104 HydrophobicContact CE2-CB 3.71Å; F91-R104 HydrophobicContact CE2-CG 3.71Å; F91-R104 HydrophobicContact CZ-CB 4.5Å; F91-R104 HydrophobicContact CZ-CG 4.36Å; F91-I107 HydrophobicContact CB-CD1 4.41Å; F91-I107 HydrophobicContact CB-CG2 4.43Å; F91-I107 HydrophobicContact CD2-CB 4.11Å; F91-I107 HydrophobicContact CD2-CD1 4.2Å; F91-I107 HydrophobicContact CD2-CG2 3.7Å; F91-I107 HydrophobicContact CE2-CG2 4.46Å; F91-I107 HydrophobicContact CG-CG2 4.44Å; F91-I108 HydrophobicContact CE2-CD1 3.91Å; F91-I108 HydrophobicContact CE2-CG1 3.78Å; F91-I108 HydrophobicContact CZ-CD1 4.08Å; F91-I108 HydrophobicContact CZ-CG1 4.22Å; F91-F140 HydrophobicContact CB-CE2 4.41Å; F91-F140 AromaticContact CD1-CE2 3.94Å; F91-F140 HydrophobicContact CD1-CE2 3.94Å; F91-F140 HydrophobicContact CD1-CZ 4.18Å; F91-F140 HydrophobicContact CD2-CE2 4.39Å; F91-F140 AromaticContact CD2-CZ 3.9Å; F91-F140 HydrophobicContact CD2-CZ 3.9Å; F91-F140 HydrophobicContact CE1-CE2 4.29Å; F91-F140 HydrophobicContact CE1-CZ 4.31Å; F91-F140 HydrophobicContact CE2-CZ 4.04Å; F91-F140 AromaticContact CG-CE2 3.98Å; F91-F140 HydrophobicContact CG-CE2 3.98Å; F91-F140 AromaticContact CG-CZ 3.97Å; F91-F140 HydrophobicContact CG-CZ 3.97Å; F91-F140 HydrophobicContact CZ-CZ 4.24Å; F91-A144 HydrophobicContact CZ-CB 4.48Å; F91-I147 HydrophobicContact CZ-CD1 4.17Å
92	E	72.2	Confident	73.9	Confident	90 Å²	90	67 Å²	67	42%	0.421	34%	0.34	S	S	.	.			trans	-91.3	125.7	-175.9	-175.8	179.8	-166.9	0	0	112	C90 R103 R104	C90-E92 PolarHBondContact O-N 3.37Å; E92-R103 IonicContact OE2-CZ 2.73Å; E92-R103 IonicContact OE2-NH1 2.59Å; E92-R103 PolarHBondContact OE2-NH1 3.04Å; E92-R103 IonicContact OE2-NH2 3.65Å; E92-R103 PolarHBondContact OE2-NH2 2.85Å; E92-R104 WeakPolarHBondContact O-CD 3.44Å; E92-R104 PolarHBondContact O-NH1 3.07Å
93	I	72.5	Confident	75.3	Confident	71 Å²	71	67.9 Å²	67.9	36%	0.364	34%	0.34	S	S	.	.			trans	-95.4	-13.3	-171.8	-58.2	174.1	0	0	0	112	F91 S95 I147 H149	F91-I93 HydrophobicContact CD1-CD1 4.35Å; F91-I93 HydrophobicContact CD1-CG1 4.18Å; F91-I93 HydrophobicContact CE1-CD1 4.03Å; F91-I93 HydrophobicContact CE1-CG1 3.97Å; I93-S95 PolarHBondContact O-N 2.98Å; I93-I147 HydrophobicContact CD1-CG2 4.02Å; I93-H149 PolarHBondContact O-NE2 2.77Å
94	H	68.9	Low	76.3	Confident	177 Å²	177	67.8 Å²	67.8	82%	0.819	34%	0.34	S	S	*	.	S	Bend	trans	-77.7	-13.8	-170	-56.1	-59.2	0	0	0	116
95	S	75.5	Confident	77.2	Confident	25 Å²	25	65.8 Å²	65.8	18%	0.175	33%	0.331	C	S	.	.			trans	-106.8	129.4	-177.6	173	0	0	0	0	112.7	I93 E97 D100 R104	I93-S95 PolarHBondContact O-N 2.98Å; S95-E97 PolarHBondContact OG-N 2.78Å; S95-D100 WeakPolarHBondContact CB-OD2 3.4Å; S95-D100 PolarHBondContact OG-OD2 3.38Å; S95-R104 PolarHBondContact O-NH1 2.7Å; S95-R104 PolarHBondContact O-NH2 3.11Å
96	E	76.9	Confident	78.6	Confident	159 Å²	159	59.6 Å²	59.6	74%	0.743	30%	0.302	S	S	*	.			trans	-91	5	170.9	-69.3	-171.7	-176.9	0	0	113.4
97	E	84.4	Confident	79.7	Confident	135 Å²	135	58.6 Å²	58.6	63%	0.631	29%	0.294	S	S	*	.			trans	-61.1	142	-178.6	-68.2	-162.1	178.8	0	0	111.8	S95 D99 D100 V101	S95-E97 PolarHBondContact OG-N 2.78Å; E97-D99 PolarHBondContact O-N 2.72Å; E97-D99 VanDerWaalsContact O-N 3.14Å; E97-D100 WeakPolarHBondContact O-CA 3.5Å; E97-D100 WeakPolarHBondContact O-CB 3.4Å; E97-D100 PolarHBondContact O-N 3Å; E97-V101 PolarHBondContact O-N 3.37Å
98	R	83	Confident	80.5	Confident	149 Å²	149	58.6 Å²	58.6	56%	0.562	29%	0.294	S	S	*	.	H	α-helix	trans	-56.7	-36.2	-174.3	-178.3	-179.3	176.5	-163.6	-3.6	113	D100 I102	R98-D100 VanDerWaalsContact C-N 3.33Å; R98-I102 HydrophobicContact CG-CD1 4.22Å; R98-I102 WeakPolarHBondContact O-CD1 3.43Å; R98-I102 VanDerWaalsContact O-CG1 3.29Å; R98-I102 WeakPolarHBondContact O-CG1 3.18Å; R98-I102 PolarHBondContact O-N 3.15Å
99	D	84.2	Confident	81.7	Confident	112 Å²	112	56.8 Å²	56.8	60%	0.599	28%	0.279	S	S	*	.	H	α-helix	trans	-74.8	-27.3	-179.6	-67.7	-11.7	0	0	0	111.4	E97 I102 R103	E97-D99 PolarHBondContact O-N 2.72Å; E97-D99 VanDerWaalsContact O-N 3.14Å; D99-I102 PolarHBondContact O-N 3.45Å; D99-R103 WeakPolarHBondContact O-CB 3.23Å; D99-R103 PolarHBondContact O-N 2.92Å
100	D	84.8	Confident	83.1	Confident	30 Å²	30	51.1 Å²	51.1	16%	0.16	24%	0.244	C	C	.	.	H	α-helix	trans	-76.4	-37.2	171.5	-75.6	-39.2	0	0	0	113.1	S95 E97 R98 I102 R103 R104	S95-D100 WeakPolarHBondContact CB-OD2 3.4Å; S95-D100 PolarHBondContact OG-OD2 3.38Å; E97-D100 WeakPolarHBondContact O-CA 3.5Å; E97-D100 WeakPolarHBondContact O-CB 3.4Å; E97-D100 PolarHBondContact O-N 3Å; R98-D100 VanDerWaalsContact C-N 3.33Å; D100-I102 VanDerWaalsContact C-N 3.28Å; D100-I102 PolarHBondContact O-N 3.42Å; D100-R103 WeakPolarHBondContact O-CB 3.46Å; D100-R103 PolarHBondContact O-N 2.89Å; D100-R103 IonicContact OD1-CZ 3.57Å; D100-R103 IonicContact OD1-NE 3.94Å; D100-R103 PolarHBondContact OD1-NE 2.89Å; D100-R103 IonicContact OD1-NH2 3.54Å; D100-R103 PolarHBondContact OD1-NH2 3.21Å; D100-R103 IonicContact OD2-NH2 3.54Å; D100-R104 PolarHBondContact O-N 2.99Å
101	V	88.1	Confident	83.9	Confident	17 Å²	17	49.1 Å²	49.1	10%	0.103	23%	0.231	C	C	.	.	H	α-helix	trans	-57.5	-44.7	167.8	175.5	0	0	0	0	109.8	E97 R104 L105 I176	E97-V101 PolarHBondContact O-N 3.37Å; V101-R104 PolarHBondContact O-N 3.03Å; V101-L105 HydrophobicContact CG1-CD1 3.94Å; V101-L105 HydrophobicContact CG1-CG 4.41Å; V101-L105 WeakPolarHBondContact O-CB 3.47Å; V101-L105 WeakPolarHBondContact O-CG 3.27Å; V101-L105 PolarHBondContact O-N 3.17Å; V101-I176 HydrophobicContact CG1-CD1 3.86Å; V101-I176 HydrophobicContact CG1-CG1 4.08Å
102	I	90.5	Very high	84.6	Confident	4 Å²	4	50 Å²	50	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-45.3	175.5	-70.6	165.1	0	0	0	111.3	T60 R98 D99 D100 R104 L105 N106 A172 P173 I176	T60-I102 HydrophobicContact CG2-CD1 4.17Å; T60-I102 HydrophobicContact CG2-CG2 4.25Å; R98-I102 HydrophobicContact CG-CD1 4.22Å; R98-I102 WeakPolarHBondContact O-CD1 3.43Å; R98-I102 VanDerWaalsContact O-CG1 3.29Å; R98-I102 WeakPolarHBondContact O-CG1 3.18Å; R98-I102 PolarHBondContact O-N 3.15Å; D99-I102 PolarHBondContact O-N 3.45Å; D100-I102 VanDerWaalsContact C-N 3.28Å; D100-I102 PolarHBondContact O-N 3.42Å; I102-R104 PolarHBondContact O-N 3.28Å; I102-L105 PolarHBondContact O-N 3.5Å; I102-N106 WeakPolarHBondContact O-CB 3.24Å; I102-N106 PolarHBondContact O-N 2.67Å; I102-N106 PolarHBondContact O-ND2 3.22Å; I102-A172 HydrophobicContact CG1-CB 4.31Å; I102-A172 HydrophobicContact CG2-CB 4.08Å; I102-P173 HydrophobicContact CD1-CG 4.11Å; I102-I176 HydrophobicContact CD1-CD1 4.33Å; I102-I176 HydrophobicContact CG1-CD1 3.64Å
103	R	89.6	Confident	85.3	Confident	33 Å²	33	47.2 Å²	47.2	13%	0.125	22%	0.219	C	C	.	.	H	α-helix	trans	-52.8	-52.9	174.2	170.7	168.3	64.9	128.6	-17.2	111.2	I57 C90 E92 D99 D100 N106 I107	I57-R103 HydrophobicContact CB-CG 4.32Å; I57-R103 HydrophobicContact CD1-CG 4.01Å; I57-R103 HydrophobicContact CG1-CG 4.16Å; I57-R103 WeakPolarHBondContact O-CA 3.41Å; C90-R103 PolarHBondContact O-NH1 3.01Å; E92-R103 IonicContact OE2-CZ 2.73Å; E92-R103 IonicContact OE2-NH1 2.59Å; E92-R103 PolarHBondContact OE2-NH1 3.04Å; E92-R103 IonicContact OE2-NH2 3.65Å; E92-R103 PolarHBondContact OE2-NH2 2.85Å; D99-R103 WeakPolarHBondContact O-CB 3.23Å; D99-R103 PolarHBondContact O-N 2.92Å; D100-R103 WeakPolarHBondContact O-CB 3.46Å; D100-R103 PolarHBondContact O-N 2.89Å; D100-R103 IonicContact OD1-CZ 3.57Å; D100-R103 IonicContact OD1-NE 3.94Å; D100-R103 PolarHBondContact OD1-NE 2.89Å; D100-R103 IonicContact OD1-NH2 3.54Å; D100-R103 PolarHBondContact OD1-NH2 3.21Å; D100-R103 IonicContact OD2-NH2 3.54Å; R103-N106 PolarHBondContact O-N 2.68Å; R103-I107 HydrophobicContact CG-CD1 3.83Å; R103-I107 VanDerWaalsContact O-CG1 3.28Å; R103-I107 WeakPolarHBondContact O-CG1 3.42Å; R103-I107 PolarHBondContact O-N 2.58Å
104	R	88.8	Confident	85.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.3	-42.8	179.5	-73.7	-171.9	-67.3	-93.4	0.8	113.3	F91 E92 S95 D100 V101 I102 N106 I107 I108 E152	F91-R104 HydrophobicContact CD2-CB 4.23Å; F91-R104 HydrophobicContact CD2-CG 3.91Å; F91-R104 HydrophobicContact CE2-CB 3.71Å; F91-R104 HydrophobicContact CE2-CG 3.71Å; F91-R104 HydrophobicContact CZ-CB 4.5Å; F91-R104 HydrophobicContact CZ-CG 4.36Å; E92-R104 WeakPolarHBondContact O-CD 3.44Å; E92-R104 PolarHBondContact O-NH1 3.07Å; S95-R104 PolarHBondContact O-NH1 2.7Å; S95-R104 PolarHBondContact O-NH2 3.11Å; D100-R104 PolarHBondContact O-N 2.99Å; V101-R104 PolarHBondContact O-N 3.03Å; I102-R104 PolarHBondContact O-N 3.28Å; R104-N106 VanDerWaalsContact C-N 3.34Å; R104-N106 PolarHBondContact O-N 3.16Å; R104-I107 PolarHBondContact O-N 2.82Å; R104-I108 WeakPolarHBondContact O-CG1 3.43Å; R104-I108 PolarHBondContact O-N 3.4Å; R104-E152 HydrophobicContact CB-CG 3.86Å; R104-E152 IonicContact CZ-OE1 3.18Å; R104-E152 IonicContact NE-OE1 3.46Å; R104-E152 PolarHBondContact NE-OE1 3.09Å; R104-E152 IonicContact NH2-OE1 2.69Å; R104-E152 PolarHBondContact NH2-OE1 2.93Å
105	L	92.8	Very high	85.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-43.4	176.4	-72.9	170.4	0	0	0	112	F64 V101 I102 I108 Y109 I151 E152 L155 A172 F175 I176	F64-L105 HydrophobicContact CE1-CB 4.41Å; F64-L105 HydrophobicContact CZ-CB 4.18Å; V101-L105 HydrophobicContact CG1-CD1 3.94Å; V101-L105 HydrophobicContact CG1-CG 4.41Å; V101-L105 WeakPolarHBondContact O-CB 3.47Å; V101-L105 WeakPolarHBondContact O-CG 3.27Å; V101-L105 PolarHBondContact O-N 3.17Å; I102-L105 PolarHBondContact O-N 3.5Å; L105-I108 PolarHBondContact O-N 3.36Å; L105-Y109 PolarHBondContact O-N 3.24Å; L105-Y109 VanDerWaalsContact O-N 3.13Å; L105-I151 HydrophobicContact CD1-CG2 4.2Å; L105-I151 HydrophobicContact CD2-CG2 4.3Å; L105-E152 HydrophobicContact CD2-CG 4.2Å; L105-E152 HydrophobicContact CG-CG 4.22Å; L105-L155 HydrophobicContact CB-CD2 4.09Å; L105-L155 HydrophobicContact CD2-CB 3.7Å; L105-L155 HydrophobicContact CD2-CD2 3.55Å; L105-L155 HydrophobicContact CD2-CG 4.25Å; L105-L155 HydrophobicContact CG-CD2 4.45Å; L105-L155 VanDerWaalsContact O-CD2 3.27Å; L105-L155 WeakPolarHBondContact O-CD2 2.99Å; L105-A172 HydrophobicContact CB-CB 4.33Å; L105-A172 HydrophobicContact CD1-CB 4.33Å; L105-F175 HydrophobicContact CD1-CD1 3.91Å; L105-F175 HydrophobicContact CD1-CE1 4.45Å; L105-F175 HydrophobicContact CD2-CD1 3.81Å; L105-F175 HydrophobicContact CD2-CE1 3.59Å; L105-I176 HydrophobicContact CD1-CD1 3.93Å; L105-I176 HydrophobicContact CD1-CG1 3.64Å
106	N	93.3	Very high	86	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.011	18%	0.18	C	C	.	.	H	α-helix	trans	-65.3	-42.9	176	-74	-23.3	0	0	0	111.4	I57 T59 L67 I102 R103 R104 Y109 I110	I57-N106 PolarHBondContact O-ND2 3.06Å; T59-N106 PolarHBondContact O-ND2 2.64Å; L67-N106 HydrophobicContact CD2-CB 3.91Å; L67-N106 WeakPolarHBondContact CD2-OD1 3.43Å; I102-N106 WeakPolarHBondContact O-CB 3.24Å; I102-N106 PolarHBondContact O-N 2.67Å; I102-N106 PolarHBondContact O-ND2 3.22Å; R103-N106 PolarHBondContact O-N 2.68Å; R104-N106 VanDerWaalsContact C-N 3.34Å; R104-N106 PolarHBondContact O-N 3.16Å; N106-Y109 PolarHBondContact O-N 3.04Å; N106-I110 WeakPolarHBondContact O-CB 3.38Å; N106-I110 WeakPolarHBondContact O-CD1 3.38Å; N106-I110 WeakPolarHBondContact O-CG1 3.4Å; N106-I110 PolarHBondContact O-N 3.02Å
107	I	86.4	Confident	85.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.2	-52.9	173.9	-70.8	162.6	0	0	0	110.9	I57 L87 C90 F91 R103 R104 Y109 I110 V111 F140	I57-I107 HydrophobicContact CB-CG1 4.17Å; I57-I107 HydrophobicContact CG2-CD1 4.38Å; I57-I107 HydrophobicContact CG2-CG1 3.62Å; L87-I107 HydrophobicContact CB-CG2 4.13Å; L87-I107 HydrophobicContact CD2-CG1 4.05Å; C90-I107 HydrophobicContact CB-CD1 4.05Å; C90-I107 WeakPolarHBondContact O-CD1 3.1Å; F91-I107 HydrophobicContact CB-CD1 4.41Å; F91-I107 HydrophobicContact CB-CG2 4.43Å; F91-I107 HydrophobicContact CD2-CB 4.11Å; F91-I107 HydrophobicContact CD2-CD1 4.2Å; F91-I107 HydrophobicContact CD2-CG2 3.7Å; F91-I107 HydrophobicContact CE2-CG2 4.46Å; F91-I107 HydrophobicContact CG-CG2 4.44Å; R103-I107 HydrophobicContact CG-CD1 3.83Å; R103-I107 VanDerWaalsContact O-CG1 3.28Å; R103-I107 WeakPolarHBondContact O-CG1 3.42Å; R103-I107 PolarHBondContact O-N 2.58Å; R104-I107 PolarHBondContact O-N 2.82Å; I107-Y109 VanDerWaalsContact C-N 3.31Å; I107-Y109 PolarHBondContact O-N 2.95Å; I107-I110 PolarHBondContact O-N 2.97Å; I107-I110 VanDerWaalsContact O-N 3.12Å; I107-V111 HydrophobicContact CG2-CG2 4.2Å; I107-V111 WeakPolarHBondContact O-CG2 3.43Å; I107-V111 PolarHBondContact O-N 3.34Å; I107-F140 HydrophobicContact CG2-CZ 4.07Å
108	I	88.3	Confident	84.7	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-55.8	-45.2	-178.9	-71.5	163	0	0	0	111.4	F91 R104 L105 W112 F140 L141 A144 E152 L155 A156 I159	F91-I108 HydrophobicContact CE2-CD1 3.91Å; F91-I108 HydrophobicContact CE2-CG1 3.78Å; F91-I108 HydrophobicContact CZ-CD1 4.08Å; F91-I108 HydrophobicContact CZ-CG1 4.22Å; R104-I108 WeakPolarHBondContact O-CG1 3.43Å; R104-I108 PolarHBondContact O-N 3.4Å; L105-I108 PolarHBondContact O-N 3.36Å; I108-W112 PolarHBondContact O-N 3.02Å; I108-F140 HydrophobicContact CG1-CE1 4.26Å; I108-L141 HydrophobicContact CG2-CD2 4.48Å; I108-A144 HydrophobicContact CD1-CB 4.19Å; I108-A144 HydrophobicContact CG1-CB 4.15Å; I108-E152 HydrophobicContact CD1-CB 3.92Å; I108-L155 HydrophobicContact CB-CD2 4.15Å; I108-L155 HydrophobicContact CG2-CD2 3.96Å; I108-L155 HydrophobicContact CG2-CG 4Å; I108-A156 HydrophobicContact CG2-CB 4.28Å; I108-I159 HydrophobicContact CG2-CD1 3.53Å
109	Y	93	Very high	83.4	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-71	-37.3	178.1	-172.8	-88.7	0	0	0	113	F64 L105 N106 I107 W112 R113 I164	F64-Y109 HydrophobicContact CB-CD1 3.84Å; F64-Y109 HydrophobicContact CB-CD2 3.72Å; F64-Y109 HydrophobicContact CB-CE1 3.85Å; F64-Y109 HydrophobicContact CB-CE2 3.7Å; F64-Y109 HydrophobicContact CB-CG 3.79Å; F64-Y109 AromaticContact CD1-CD1 3.99Å; F64-Y109 HydrophobicContact CD1-CD1 3.99Å; F64-Y109 HydrophobicContact CD1-CD2 4.04Å; F64-Y109 AromaticContact CD1-CG 3.56Å; F64-Y109 HydrophobicContact CD1-CG 3.56Å; F64-Y109 HydrophobicContact CE1-CG 4.41Å; F64-Y109 HydrophobicContact CG-CD1 4.34Å; F64-Y109 AromaticContact CG-CD2 3.96Å; F64-Y109 HydrophobicContact CG-CD2 3.96Å; F64-Y109 HydrophobicContact CG-CE2 4.42Å; F64-Y109 AromaticContact CG-CG 3.92Å; F64-Y109 HydrophobicContact CG-CG 3.92Å; F64-Y109 WeakPolarHBondContact O-CD1 3.38Å; F64-Y109 WeakPolarHBondContact O-CE1 3.4Å; L105-Y109 PolarHBondContact O-N 3.24Å; L105-Y109 VanDerWaalsContact O-N 3.13Å; N106-Y109 PolarHBondContact O-N 3.04Å; I107-Y109 VanDerWaalsContact C-N 3.31Å; I107-Y109 PolarHBondContact O-N 2.95Å; Y109-W112 PolarHBondContact O-N 3.47Å; Y109-R113 HydrophobicContact CD1-CG 4.02Å; Y109-R113 HydrophobicContact CE1-CG 3.46Å; Y109-R113 VanDerWaalsContact CE1-CG 3.46Å; Y109-R113 WeakPolarHBondContact O-CG 3.28Å; Y109-R113 PolarHBondContact O-N 3.01Å; Y109-R113 PolarHBondContact OH-NH1 3.15Å; Y109-I164 HydrophobicContact CD2-CD1 3.9Å; Y109-I164 HydrophobicContact CE2-CD1 3.59Å; Y109-I164 HydrophobicContact CE2-CG1 4Å
110	I	91.5	Very high	81.5	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-44.5	175.7	-70.6	164.2	0	0	0	110.1	F56 I57 L67 F71 L87 N106 I107 W112 R113 L114	F56-I110 HydrophobicContact CB-CD1 4.47Å; I57-I110 HydrophobicContact CG2-CD1 4.38Å; L67-I110 HydrophobicContact CD2-CD1 4.23Å; L67-I110 HydrophobicContact CD2-CG1 4.27Å; L67-I110 HydrophobicContact CG-CD1 4.4Å; L67-I110 HydrophobicContact CG-CG1 4.39Å; F71-I110 HydrophobicContact CD1-CG2 3.73Å; F71-I110 HydrophobicContact CD2-CD1 3.87Å; F71-I110 HydrophobicContact CD2-CG1 4.25Å; F71-I110 HydrophobicContact CD2-CG2 4.05Å; F71-I110 HydrophobicContact CE1-CG2 3.56Å; F71-I110 HydrophobicContact CE2-CD1 4.12Å; F71-I110 HydrophobicContact CE2-CG2 3.88Å; F71-I110 HydrophobicContact CG-CD1 4.47Å; F71-I110 HydrophobicContact CG-CG1 4.36Å; F71-I110 HydrophobicContact CG-CG2 3.99Å; F71-I110 HydrophobicContact CZ-CG2 3.64Å; L87-I110 HydrophobicContact CD1-CB 4.38Å; L87-I110 HydrophobicContact CD1-CG2 3.57Å; N106-I110 WeakPolarHBondContact O-CB 3.38Å; N106-I110 WeakPolarHBondContact O-CD1 3.38Å; N106-I110 WeakPolarHBondContact O-CG1 3.4Å; N106-I110 PolarHBondContact O-N 3.02Å; I107-I110 PolarHBondContact O-N 2.97Å; I107-I110 VanDerWaalsContact O-N 3.12Å; I110-W112 VanDerWaalsContact C-N 3.27Å; I110-W112 PolarHBondContact O-N 2.83Å; I110-R113 CarbonylContact O-C 3.41Å; I110-R113 WeakPolarHBondContact O-CA 3.49Å; I110-R113 PolarHBondContact O-N 3.03Å; I110-L114 HydrophobicContact CG2-CD2 4.18Å; I110-L114 WeakPolarHBondContact O-CG 3.4Å; I110-L114 PolarHBondContact O-N 2.79Å
111	V	84.4	Confident	79.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.7	-39.3	177.4	173.6	0	0	0	0	111.8	F84 L87 I107 R113 L114 H135 Y137 F140 L141	F84-V111 HydrophobicContact CD2-CG1 3.89Å; F84-V111 HydrophobicContact CD2-CG2 3.96Å; F84-V111 HydrophobicContact CE2-CG1 4Å; F84-V111 HydrophobicContact CE2-CG2 4.29Å; L87-V111 HydrophobicContact CB-CG2 4.42Å; L87-V111 HydrophobicContact CD1-CG2 4.09Å; I107-V111 HydrophobicContact CG2-CG2 4.2Å; I107-V111 WeakPolarHBondContact O-CG2 3.43Å; I107-V111 PolarHBondContact O-N 3.34Å; V111-R113 VanDerWaalsContact C-N 3.26Å; V111-R113 PolarHBondContact O-N 3.15Å; V111-L114 HydrophobicContact CB-CD1 4.49Å; V111-L114 HydrophobicContact CG2-CD1 4.33Å; V111-L114 PolarHBondContact O-N 3.42Å; V111-H135 PolarHBondContact O-CE1 2.84Å; V111-H135 VanDerWaalsContact O-CE1 3.24Å; V111-H135 PolarHBondContact O-NE2 2.85Å; V111-Y137 HydrophobicContact CG1-CD2 4Å; V111-Y137 HydrophobicContact CG1-CG 3.98Å; V111-F140 HydrophobicContact CB-CD1 4.12Å; V111-F140 HydrophobicContact CB-CE1 4.05Å; V111-F140 HydrophobicContact CG1-CD1 3.64Å; V111-F140 HydrophobicContact CG1-CE1 4.1Å; V111-F140 HydrophobicContact CG1-CG 4.4Å; V111-F140 HydrophobicContact CG2-CD1 4.24Å; V111-F140 HydrophobicContact CG2-CE1 3.93Å; V111-F140 HydrophobicContact CG2-CZ 4.47Å; V111-L141 HydrophobicContact CG1-CD2 4.45Å
112	W	87.1	Confident	77.6	Confident	47 Å²	47	32.4 Å²	32.4	18%	0.178	16%	0.159	C	C	.	.	H	α-helix	trans	-64.5	-24.2	171.8	169.5	-105.5	0	0	0	114.4	I108 Y109 I110 P115 V132 H135 L141 I159	I108-W112 PolarHBondContact O-N 3.02Å; Y109-W112 PolarHBondContact O-N 3.47Å; I110-W112 VanDerWaalsContact C-N 3.27Å; I110-W112 PolarHBondContact O-N 2.83Å; W112-P115 WeakPolarHBondContact O-CD 3.04Å; W112-V132 HydrophobicContact CH2-CG2 4.25Å; W112-V132 HydrophobicContact CZ3-CG2 3.98Å; W112-H135 WeakPolarHBondContact CA-NE2 3.47Å; W112-H135 AromaticContact CE3-CD2 3.47Å; W112-H135 VanDerWaalsContact CE3-CD2 3.47Å; W112-H135 AromaticContact CE3-NE2 3.75Å; W112-H135 HydrophobicContact CZ3-CB 4.43Å; W112-H135 AromaticContact CZ3-CD2 3.63Å; W112-H135 PolarHBondContact O-NE2 2.86Å; W112-L141 HydrophobicContact CB-CD2 4.43Å; W112-L141 HydrophobicContact CE3-CD1 3.9Å; W112-I159 HydrophobicContact CB-CD1 4.12Å; W112-I159 HydrophobicContact CB-CG1 4.46Å; W112-I159 HydrophobicContact CB-CG2 4.19Å; W112-I159 HydrophobicContact CD2-CG2 3.61Å; W112-I159 HydrophobicContact CE3-CG2 3.42Å; W112-I159 VanDerWaalsContact CE3-CG2 3.42Å; W112-I159 HydrophobicContact CG-CD1 4.49Å; W112-I159 HydrophobicContact CG-CG1 4.31Å; W112-I159 HydrophobicContact CG-CG2 3.94Å; W112-I159 HydrophobicContact CZ3-CG2 4.04Å
113	R	88.3	Confident	75.3	Confident	30 Å²	30	36 Å²	36	11%	0.113	18%	0.183	C	C	.	.	H	α-helix	trans	-98.2	-11.7	179.7	-64.9	-61.5	-57.2	-79	-6.5	114.3	N69 V72 Y109 I110 V111 P115 D116	N69-R113 PolarHBondContact OD1-NH1 3.1Å; N69-R113 PolarHBondContact OD1-NH2 2.86Å; V72-R113 HydrophobicContact CG2-CB 4.49Å; Y109-R113 HydrophobicContact CD1-CG 4.02Å; Y109-R113 HydrophobicContact CE1-CG 3.46Å; Y109-R113 VanDerWaalsContact CE1-CG 3.46Å; Y109-R113 WeakPolarHBondContact O-CG 3.28Å; Y109-R113 PolarHBondContact O-N 3.01Å; Y109-R113 PolarHBondContact OH-NH1 3.15Å; I110-R113 CarbonylContact O-C 3.41Å; I110-R113 WeakPolarHBondContact O-CA 3.49Å; I110-R113 PolarHBondContact O-N 3.03Å; V111-R113 VanDerWaalsContact C-N 3.26Å; V111-R113 PolarHBondContact O-N 3.15Å; R113-P115 VanDerWaalsContact O-N 3.14Å; R113-D116 IonicContact CZ-OD2 2.78Å; R113-D116 IonicContact NE-OD2 3.35Å; R113-D116 PolarHBondContact NE-OD2 3.18Å; R113-D116 IonicContact NH2-OD2 3.68Å; R113-D116 PolarHBondContact NH2-OD2 3.18Å; R113-D116 WeakPolarHBondContact O-CB 3.25Å; R113-D116 PolarHBondContact O-N 3.42Å
114	L	79.8	Confident	73	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-51.1	-29.9	172.7	-67.1	-179	0	0	0	114.9	F71 I83 F84 L87 I110 V111 D116 L117 Y137	F71-L114 HydrophobicContact CE1-CD2 3.86Å; I83-L114 HydrophobicContact CB-CD2 4.14Å; I83-L114 HydrophobicContact CG2-CD1 4.44Å; I83-L114 HydrophobicContact CG2-CD2 3.44Å; I83-L114 VanDerWaalsContact CG2-CD2 3.44Å; F84-L114 HydrophobicContact CB-CD1 3.78Å; F84-L114 HydrophobicContact CD2-CD1 4.45Å; L87-L114 HydrophobicContact CD1-CD1 4.23Å; L87-L114 HydrophobicContact CD1-CD2 4.4Å; I110-L114 HydrophobicContact CG2-CD2 4.18Å; I110-L114 WeakPolarHBondContact O-CG 3.4Å; I110-L114 PolarHBondContact O-N 2.79Å; V111-L114 HydrophobicContact CB-CD1 4.49Å; V111-L114 HydrophobicContact CG2-CD1 4.33Å; V111-L114 PolarHBondContact O-N 3.42Å; L114-D116 PolarHBondContact O-N 3.33Å; L114-L117 HydrophobicContact CD2-CD1 3.79Å; L114-L117 WeakPolarHBondContact O-CB 3.35Å; L114-L117 PolarHBondContact O-N 2.98Å; L114-Y137 HydrophobicContact CB-CD2 4.13Å; L114-Y137 HydrophobicContact CB-CE2 3.67Å; L114-Y137 HydrophobicContact CD1-CD2 3.95Å; L114-Y137 HydrophobicContact CD1-CE2 3.68Å; L114-Y137 HydrophobicContact CG-CE2 4.33Å
115	P	73.3	Confident	70.7	Confident	25 Å²	25	46.5 Å²	46.5	16%	0.162	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-55.7	-27.3	171.4	-27	34.2	0	0	0	116.7	W112 R113 L117 E118 R122 H135	W112-P115 WeakPolarHBondContact O-CD 3.04Å; R113-P115 VanDerWaalsContact O-N 3.14Å; P115-L117 PolarHBondContact O-N 2.84Å; P115-E118 PolarHBondContact O-N 3.26Å; P115-R122 VanDerWaalsContact CB-NH1 3.28Å; P115-H135 WeakPolarHBondContact CD-NE2 3.19Å; P115-H135 VanDerWaalsContact CG-CD2 3.46Å; P115-H135 WeakPolarHBondContact CG-CD2 3.14Å; P115-H135 WeakPolarHBondContact CG-NE2 3.43Å
116	D	78.2	Confident	68.1	Low	70 Å²	70	50.6 Å²	50.6	37%	0.374	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-75.1	-10.9	-177.8	-62.2	-21.3	0	0	0	112.8	V72 R113 L114	V72-D116 HydrophobicContact CG1-CB 3.88Å; V72-D116 HydrophobicContact CG2-CB 3.78Å; R113-D116 IonicContact CZ-OD2 2.78Å; R113-D116 IonicContact NE-OD2 3.35Å; R113-D116 PolarHBondContact NE-OD2 3.18Å; R113-D116 IonicContact NH2-OD2 3.68Å; R113-D116 PolarHBondContact NH2-OD2 3.18Å; R113-D116 WeakPolarHBondContact O-CB 3.25Å; R113-D116 PolarHBondContact O-N 3.42Å; L114-D116 PolarHBondContact O-N 3.33Å
117	L	69.6	Low	65.5	Low	12 Å²	12	60.7 Å²	60.7	6%	0.063	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-74	-33.5	174.6	-62.8	178.5	0	0	0	112.4	V72 F75 I83 L114 P115 P119	V72-L117 HydrophobicContact CB-CD2 4.32Å; V72-L117 HydrophobicContact CG1-CD2 4.26Å; V72-L117 HydrophobicContact CG2-CD2 4.35Å; F75-L117 HydrophobicContact CB-CD1 4.48Å; F75-L117 HydrophobicContact CB-CD2 3.99Å; F75-L117 WeakPolarHBondContact O-CD2 3.22Å; I83-L117 HydrophobicContact CD1-CD1 3.59Å; L114-L117 HydrophobicContact CD2-CD1 3.79Å; L114-L117 WeakPolarHBondContact O-CB 3.35Å; L114-L117 PolarHBondContact O-N 2.98Å; P115-L117 PolarHBondContact O-N 2.84Å; L117-P119 WeakPolarHBondContact O-CD 3.32Å
118	E	63.3	Low	63.3	Low	30 Å²	30	68.1 Å²	68.1	14%	0.14	35%	0.347	C	S	.	.			trans	-126.1	53	-172.8	-65.7	160.1	172.4	0	0	111.8	S80 P115 E120 L121 R122	S80-E118 WeakPolarHBondContact CB-OE2 3.37Å; S80-E118 PolarHBondContact N-OE1 3.38Å; S80-E118 PolarHBondContact OG-OE1 3Å; S80-E118 PolarHBondContact OG-OE2 3.35Å; P115-E118 PolarHBondContact O-N 3.26Å; E118-E120 PolarHBondContact O-N 2.72Å; E118-E120 VanDerWaalsContact O-N 3.16Å; E118-L121 HydrophobicContact CB-CB 4.45Å; E118-L121 HydrophobicContact CB-CD1 4.26Å; E118-L121 HydrophobicContact CG-CD1 4.29Å; E118-L121 PolarHBondContact O-N 2.74Å; E118-R122 WeakPolarHBondContact O-CG 3.48Å; E118-R122 IonicContact OE2-CZ 3.54Å; E118-R122 IonicContact OE2-NE 3.47Å; E118-R122 IonicContact OE2-NH2 4Å; E118-R122 PolarHBondContact OE2-NH2 3.26Å
119	P	56	Low	60.9	Low	76 Å²	76	71.8 Å²	71.8	49%	0.494	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-10.8	-171	32.4	-38	0	0	0	113.8	L117	L117-P119 WeakPolarHBondContact O-CD 3.32Å
120	E	45.4	Very low	58.8	Low	188 Å²	188	75.2 Å²	75.2	88%	0.879	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-29.6	179	-56.7	-162.4	157.9	0	0	112.8	E118 R122	E118-E120 PolarHBondContact O-N 2.72Å; E118-E120 VanDerWaalsContact O-N 3.16Å; E120-R122 PolarHBondContact O-N 2.83Å
121	L	43.3	Very low	57.3	Low	115 Å²	115	78 Å²	78	60%	0.602	40%	0.404	S	S	*	.	S	Bend	trans	-78.4	-4.6	178.4	-63.8	178.1	0	0	0	113.1	E118	E118-L121 HydrophobicContact CB-CB 4.45Å; E118-L121 HydrophobicContact CB-CD1 4.26Å; E118-L121 HydrophobicContact CG-CD1 4.29Å; E118-L121 PolarHBondContact O-N 2.74Å
122	R	46.7	Very low	56.1	Low	48 Å²	48	78.1 Å²	78.1	18%	0.181	41%	0.405	C	S	.	.	S	Bend	trans	-116.4	127.7	-170.2	-62.7	176.8	-169	-146.1	7.5	111.3	S80 P115 E118 E120 K124 P136	S80-R122 PolarHBondContact OG-NH2 2.99Å; P115-R122 VanDerWaalsContact CB-NH1 3.28Å; E118-R122 WeakPolarHBondContact O-CG 3.48Å; E118-R122 IonicContact OE2-CZ 3.54Å; E118-R122 IonicContact OE2-NE 3.47Å; E118-R122 IonicContact OE2-NH2 4Å; E118-R122 PolarHBondContact OE2-NH2 3.26Å; E120-R122 PolarHBondContact O-N 2.83Å; R122-K124 PolarHBondContact O-N 3.46Å; R122-K124 VanDerWaalsContact O-N 3.15Å; R122-P136 VanDerWaalsContact NH1-CD 3.33Å
123	P	41.2	Very low	54.6	Low	79 Å²	79	77.9 Å²	77.9	51%	0.513	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-62.4	122.1	172.7	25.1	-30.5	0	0	0	108.5	P125 Y240	P123-P125 WeakPolarHBondContact O-CD 3.48Å; P123-P125 VanDerWaalsContact O-N 3.12Å; P123-Y240 HydrophobicContact CG-CE2 3.78Å; P123-Y240 VanDerWaalsContact CG-OH 3.31Å; P123-Y240 WeakPolarHBondContact CG-OH 2.98Å
124	K	41.8	Very low	53.1	Low	185 Å²	185	78.7 Å²	78.7	80%	0.804	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-57.1	121.5	176.9	-74.4	174.6	178.5	166.7	0	108.3	R122	R122-K124 PolarHBondContact O-N 3.46Å; R122-K124 VanDerWaalsContact O-N 3.15Å
125	P	40.6	Very low	52.4	Low	70 Å²	70	79.2 Å²	79.2	46%	0.455	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-56.1	141.3	-177.4	20.6	-31.7	0	0	0	109.3	P123 K127 L129	P123-P125 WeakPolarHBondContact O-CD 3.48Å; P123-P125 VanDerWaalsContact O-N 3.12Å; P125-K127 PolarHBondContact O-N 2.92Å; P125-L129 HydrophobicContact CB-CB 4.41Å
126	P	38.9	Very low	51.8	Low	86 Å²	86	78.6 Å²	78.6	56%	0.558	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-56.4	142.4	177.5	21.4	-28.2	0	0	0	108.3	N128 L129	P126-N128 PolarHBondContact O-N 2.88Å; P126-L129 HydrophobicContact CG-CB 4.09Å; P126-L129 HydrophobicContact CG-CD1 4.46Å; P126-L129 HydrophobicContact CG-CD2 4.24Å; P126-L129 PolarHBondContact O-N 3.37Å
127	K	38.9	Very low	51.4	Low	213 Å²	213	75.6 Å²	75.6	93%	0.926	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	0.2	-161.3	-64.1	-171.1	174.8	-167.4	0	117.7	P125	P125-K127 PolarHBondContact O-N 2.92Å
128	N	39.4	Very low	51.2	Low	156 Å²	156	75.1 Å²	75.1	83%	0.834	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	-8.2	-179.2	-54.2	-3	0	0	0	112.5	P126	P126-N128 PolarHBondContact O-N 2.88Å
129	L	38.4	Very low	51.1	Low	78 Å²	78	76.5 Å²	76.5	41%	0.408	41%	0.405	S	S	.	.			trans	-93.4	96	174	-111.1	70.8	0	0	0	108.4	P125 P126 D131	P125-L129 HydrophobicContact CB-CB 4.41Å; P126-L129 HydrophobicContact CG-CB 4.09Å; P126-L129 HydrophobicContact CG-CD1 4.46Å; P126-L129 HydrophobicContact CG-CD2 4.24Å; P126-L129 PolarHBondContact O-N 3.37Å; L129-D131 HydrophobicContact CB-CB 3.87Å; L129-D131 HydrophobicContact CD2-CB 3.78Å; L129-D131 VanDerWaalsContact CD2-OD2 3.31Å; L129-D131 WeakPolarHBondContact CD2-OD2 3.28Å; L129-D131 HydrophobicContact CG-CB 3.65Å; L129-D131 PolarHBondContact O-N 2.89Å
130	S	49.2	Very low	52	Low	71 Å²	71	74.1 Å²	74.1	50%	0.497	39%	0.387	S	S	.	.			trans	-86	54.6	161.3	58.6	0	0	0	0	108.9	V132 N162	S130-V132 PolarHBondContact O-N 3.32Å; S130-N162 WeakPolarHBondContact CB-ND2 3.35Å; S130-N162 PolarHBondContact OG-ND2 3.27Å
131	D	58.6	Low	53.3	Low	58 Å²	58	65.2 Å²	65.2	31%	0.31	35%	0.345	S	S	.	.			trans	-93.4	107	-154.2	-135.3	33.5	0	0	0	110.1	L129 Y133 S134	L129-D131 HydrophobicContact CB-CB 3.87Å; L129-D131 HydrophobicContact CD2-CB 3.78Å; L129-D131 VanDerWaalsContact CD2-OD2 3.31Å; L129-D131 WeakPolarHBondContact CD2-OD2 3.28Å; L129-D131 HydrophobicContact CG-CB 3.65Å; L129-D131 PolarHBondContact O-N 2.89Å; D131-Y133 PolarHBondContact O-N 3.33Å; D131-S134 WeakPolarHBondContact O-CA 3.39Å; D131-S134 WeakPolarHBondContact O-CB 3.43Å; D131-S134 PolarHBondContact O-N 3.24Å; D131-S134 PolarHBondContact O-OG 2.92Å
132	V	59.6	Low	54.6	Low	3 Å²	3	59.8 Å²	59.8	2%	0.018	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-64.9	-26.5	173	173	0	0	0	0	110.4	W112 S130 S134 H135 A138 F142 I159 V160	W112-V132 HydrophobicContact CH2-CG2 4.25Å; W112-V132 HydrophobicContact CZ3-CG2 3.98Å; S130-V132 PolarHBondContact O-N 3.32Å; V132-S134 PolarHBondContact O-N 2.8Å; V132-H135 WeakPolarHBondContact O-CB 3.32Å; V132-H135 PolarHBondContact O-N 2.86Å; V132-A138 WeakPolarHBondContact O-CB 3.49Å; V132-F142 HydrophobicContact CG1-CE2 4.03Å; V132-F142 HydrophobicContact CG1-CZ 4.42Å; V132-I159 WeakPolarHBondContact CG2-O 3.43Å; V132-V160 HydrophobicContact CG1-CB 4.14Å; V132-V160 HydrophobicContact CG1-CG1 4.01Å
133	Y	55.7	Low	55.7	Low	43 Å²	43	60.1 Å²	60.1	17%	0.169	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-60	-25.1	168	-52	-79.2	0	0	0	113.5	D131 F142 D192 F196	D131-Y133 PolarHBondContact O-N 3.33Å; Y133-F142 HydrophobicContact CD1-CE2 4.17Å; Y133-F142 HydrophobicContact CD1-CZ 4.32Å; Y133-F142 AromaticContact CE1-CE2 3.95Å; Y133-F142 HydrophobicContact CE1-CE2 3.95Å; Y133-F142 AromaticContact CE1-CZ 3.66Å; Y133-F142 HydrophobicContact CE1-CZ 3.66Å; Y133-F142 AromaticContact CZ-CZ 3.86Å; Y133-D192 WeakPolarHBondContact OH-CB 3.5Å; Y133-D192 PolarHBondContact OH-O 3.41Å; Y133-F196 HydrophobicContact CD1-CD2 4.09Å; Y133-F196 HydrophobicContact CE1-CB 3.81Å; Y133-F196 AromaticContact CE1-CD2 3.91Å; Y133-F196 HydrophobicContact CE1-CD2 3.91Å; Y133-F196 HydrophobicContact CE1-CG 4.31Å
134	S	57.1	Low	57.2	Low	47 Å²	47	56.4 Å²	56.4	33%	0.329	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-89.5	2.9	172.9	75.3	0	0	0	0	114	D131 V132 H244	D131-S134 WeakPolarHBondContact O-CA 3.39Å; D131-S134 WeakPolarHBondContact O-CB 3.43Å; D131-S134 PolarHBondContact O-N 3.24Å; D131-S134 PolarHBondContact O-OG 2.92Å; V132-S134 PolarHBondContact O-N 2.8Å; S134-H244 PolarHBondContact O-CE1 3.1Å
135	H	65.6	Low	59	Low	11 Å²	11	47.7 Å²	47.7	5%	0.051	27%	0.268	C	S	.	.	S	Bend	trans	-81.6	133.4	173	-170.1	-88.2	0	0	0	109.5	V111 W112 P115 V132 Y137 A138 L141	V111-H135 PolarHBondContact O-CE1 2.84Å; V111-H135 VanDerWaalsContact O-CE1 3.24Å; V111-H135 PolarHBondContact O-NE2 2.85Å; W112-H135 WeakPolarHBondContact CA-NE2 3.47Å; W112-H135 AromaticContact CE3-CD2 3.47Å; W112-H135 VanDerWaalsContact CE3-CD2 3.47Å; W112-H135 AromaticContact CE3-NE2 3.75Å; W112-H135 HydrophobicContact CZ3-CB 4.43Å; W112-H135 AromaticContact CZ3-CD2 3.63Å; W112-H135 PolarHBondContact O-NE2 2.86Å; P115-H135 WeakPolarHBondContact CD-NE2 3.19Å; P115-H135 VanDerWaalsContact CG-CD2 3.46Å; P115-H135 WeakPolarHBondContact CG-CD2 3.14Å; P115-H135 WeakPolarHBondContact CG-NE2 3.43Å; V132-H135 WeakPolarHBondContact O-CB 3.32Å; V132-H135 PolarHBondContact O-N 2.86Å; H135-Y137 VanDerWaalsContact C-N 3.26Å; H135-Y137 AromaticContact CE1-CD2 3.8Å; H135-Y137 PolarHBondContact ND1-N 2.91Å; H135-Y137 PolarHBondContact O-N 3.34Å; H135-A138 WeakPolarHBondContact O-CB 3.17Å; H135-A138 PolarHBondContact O-N 2.87Å; H135-L141 WeakPolarHBondContact ND1-CD1 3.48Å
136	P	60.7	Low	60.6	Low	11 Å²	11	50.4 Å²	50.4	7%	0.071	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-25.4	-172.5	33.8	-43.3	0	0	0	114	R122 A138 M243	R122-P136 VanDerWaalsContact NH1-CD 3.33Å; P136-A138 VanDerWaalsContact C-N 3.31Å; P136-M243 WeakPolarHBondContact CA-O 3.44Å; P136-M243 HydrophobicContact CB-CB 3.87Å; P136-M243 HydrophobicContact CB-CE 4.26Å; P136-M243 WeakPolarHBondContact CB-O 3.43Å; P136-M243 HydrophobicContact CB-SD 4.16Å; P136-M243 HydrophobicContact CG-CE 4.45Å
137	Y	69.1	Low	62.4	Low	8 Å²	8	47.6 Å²	47.6	3%	0.031	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	27.7	176	-45.1	-58.6	0	0	0	110.6	S80 L81 F84 V111 L114 H135 T139 F140 L141	S80-Y137 VanDerWaalsContact C-OH 3.24Å; S80-Y137 PolarHBondContact O-OH 3.33Å; S80-Y137 PolarHBondContact OG-OH 3.01Å; L81-Y137 WeakPolarHBondContact CA-OH 3.32Å; L81-Y137 HydrophobicContact CD1-CE1 4.27Å; L81-Y137 PolarHBondContact N-OH 3.24Å; F84-Y137 HydrophobicContact CB-CD1 4.13Å; F84-Y137 HydrophobicContact CB-CE1 3.76Å; F84-Y137 HydrophobicContact CB-CE2 4.37Å; F84-Y137 AromaticContact CD1-CD1 3.81Å; F84-Y137 HydrophobicContact CD1-CD1 3.81Å; F84-Y137 AromaticContact CD1-CE1 3.91Å; F84-Y137 HydrophobicContact CD1-CE1 3.91Å; F84-Y137 AromaticContact CD2-CD1 3.73Å; F84-Y137 HydrophobicContact CD2-CD1 3.73Å; F84-Y137 HydrophobicContact CD2-CD2 4.38Å; F84-Y137 HydrophobicContact CD2-CE1 4.26Å; F84-Y137 AromaticContact CD2-CG 3.83Å; F84-Y137 HydrophobicContact CD2-CG 3.83Å; F84-Y137 HydrophobicContact CE1-CD1 4.19Å; F84-Y137 HydrophobicContact CE2-CD1 4.13Å; F84-Y137 HydrophobicContact CE2-CG 4.21Å; F84-Y137 AromaticContact CG-CD1 3.58Å; F84-Y137 HydrophobicContact CG-CD1 3.58Å; F84-Y137 AromaticContact CG-CE1 3.68Å; F84-Y137 HydrophobicContact CG-CE1 3.68Å; F84-Y137 HydrophobicContact CG-CG 4.11Å; F84-Y137 HydrophobicContact CZ-CD1 4.34Å; V111-Y137 HydrophobicContact CG1-CD2 4Å; V111-Y137 HydrophobicContact CG1-CG 3.98Å; L114-Y137 HydrophobicContact CB-CD2 4.13Å; L114-Y137 HydrophobicContact CB-CE2 3.67Å; L114-Y137 HydrophobicContact CD1-CD2 3.95Å; L114-Y137 HydrophobicContact CD1-CE2 3.68Å; L114-Y137 HydrophobicContact CG-CE2 4.33Å; H135-Y137 VanDerWaalsContact C-N 3.26Å; H135-Y137 AromaticContact CE1-CD2 3.8Å; H135-Y137 PolarHBondContact ND1-N 2.91Å; H135-Y137 PolarHBondContact O-N 3.34Å; Y137-T139 VanDerWaalsContact C-N 3.28Å; Y137-T139 PolarHBondContact O-N 3.45Å; Y137-F140 PolarHBondContact O-N 2.94Å; Y137-F140 VanDerWaalsContact O-N 3.16Å; Y137-L141 WeakPolarHBondContact O-CG 3.3Å; Y137-L141 PolarHBondContact O-N 3.31Å
138	A	64.7	Low	64.1	Low	2 Å²	2	46.7 Å²	46.7	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-53.1	-46.3	177.2	0	0	0	0	0	111.3	V132 H135 P136 F140 L141 F142	V132-A138 WeakPolarHBondContact O-CB 3.49Å; H135-A138 WeakPolarHBondContact O-CB 3.17Å; H135-A138 PolarHBondContact O-N 2.87Å; P136-A138 VanDerWaalsContact C-N 3.31Å; A138-F140 VanDerWaalsContact C-N 3.28Å; A138-F140 PolarHBondContact O-N 3.06Å; A138-L141 CarbonylContact O-C 3.59Å; A138-L141 PolarHBondContact O-N 3.45Å; A138-F142 HydrophobicContact CB-CD2 4.35Å; A138-F142 VanDerWaalsContact O-CD2 3.31Å; A138-F142 WeakPolarHBondContact O-CD2 3.35Å; A138-F142 PolarHBondContact O-N 3.35Å
139	T	62.3	Low	65.9	Low	59 Å²	59	40.7 Å²	40.7	36%	0.362	22%	0.221	S	C	.	.	H	α-helix	trans	-54.3	-43	177.7	-38.7	0	0	0	0	112	Y137 A143	Y137-T139 VanDerWaalsContact C-N 3.28Å; Y137-T139 PolarHBondContact O-N 3.45Å; T139-A143 VanDerWaalsContact O-CB 3.25Å; T139-A143 WeakPolarHBondContact O-CB 3.38Å; T139-A143 PolarHBondContact O-N 3.41Å
140	F	74.6	Confident	68	Low	26 Å²	26	47 Å²	47	11%	0.114	24%	0.239	C	C	.	.	H	α-helix	trans	-67.1	-42.3	174.2	175.3	-90.1	0	0	0	112.4	F84 F91 I107 I108 V111 Y137 A138 F142 A143 A144	F84-F140 HydrophobicContact CE2-CB 3.68Å; F84-F140 HydrophobicContact CE2-CD1 4.21Å; F84-F140 AromaticContact CE2-CD2 3.84Å; F84-F140 HydrophobicContact CE2-CD2 3.84Å; F84-F140 AromaticContact CE2-CG 3.63Å; F84-F140 HydrophobicContact CE2-CG 3.63Å; F84-F140 HydrophobicContact CZ-CB 3.77Å; F84-F140 HydrophobicContact CZ-CD2 4.02Å; F84-F140 HydrophobicContact CZ-CG 4.03Å; F91-F140 HydrophobicContact CB-CE2 4.41Å; F91-F140 AromaticContact CD1-CE2 3.94Å; F91-F140 HydrophobicContact CD1-CE2 3.94Å; F91-F140 HydrophobicContact CD1-CZ 4.18Å; F91-F140 HydrophobicContact CD2-CE2 4.39Å; F91-F140 AromaticContact CD2-CZ 3.9Å; F91-F140 HydrophobicContact CD2-CZ 3.9Å; F91-F140 HydrophobicContact CE1-CE2 4.29Å; F91-F140 HydrophobicContact CE1-CZ 4.31Å; F91-F140 HydrophobicContact CE2-CZ 4.04Å; F91-F140 AromaticContact CG-CE2 3.98Å; F91-F140 HydrophobicContact CG-CE2 3.98Å; F91-F140 AromaticContact CG-CZ 3.97Å; F91-F140 HydrophobicContact CG-CZ 3.97Å; F91-F140 HydrophobicContact CZ-CZ 4.24Å; I107-F140 HydrophobicContact CG2-CZ 4.07Å; I108-F140 HydrophobicContact CG1-CE1 4.26Å; V111-F140 HydrophobicContact CB-CD1 4.12Å; V111-F140 HydrophobicContact CB-CE1 4.05Å; V111-F140 HydrophobicContact CG1-CD1 3.64Å; V111-F140 HydrophobicContact CG1-CE1 4.1Å; V111-F140 HydrophobicContact CG1-CG 4.4Å; V111-F140 HydrophobicContact CG2-CD1 4.24Å; V111-F140 HydrophobicContact CG2-CE1 3.93Å; V111-F140 HydrophobicContact CG2-CZ 4.47Å; Y137-F140 PolarHBondContact O-N 2.94Å; Y137-F140 VanDerWaalsContact O-N 3.16Å; A138-F140 VanDerWaalsContact C-N 3.28Å; A138-F140 PolarHBondContact O-N 3.06Å; F140-F142 PolarHBondContact O-N 3.29Å; F140-A143 PolarHBondContact O-N 3.1Å; F140-A144 HydrophobicContact CE1-CB 4.38Å; F140-A144 WeakPolarHBondContact O-CB 2.8Å; F140-A144 PolarHBondContact O-N 3.01Å
141	L	73.6	Confident	69.8	Low	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.4	-35	-179.9	-65.4	170.3	0	0	0	112.4	I108 V111 W112 H135 Y137 A138 E145 I159 V160	I108-L141 HydrophobicContact CG2-CD2 4.48Å; V111-L141 HydrophobicContact CG1-CD2 4.45Å; W112-L141 HydrophobicContact CB-CD2 4.43Å; W112-L141 HydrophobicContact CE3-CD1 3.9Å; H135-L141 WeakPolarHBondContact ND1-CD1 3.48Å; Y137-L141 WeakPolarHBondContact O-CG 3.3Å; Y137-L141 PolarHBondContact O-N 3.31Å; A138-L141 CarbonylContact O-C 3.59Å; A138-L141 PolarHBondContact O-N 3.45Å; L141-E145 PolarHBondContact O-N 3.37Å; L141-E145 VanDerWaalsContact O-N 3.17Å; L141-I159 HydrophobicContact CD1-CG2 3.94Å; L141-I159 HydrophobicContact CD2-CD1 4.37Å; L141-I159 HydrophobicContact CD2-CG2 4.15Å; L141-V160 HydrophobicContact CB-CG1 3.99Å
142	F	69.1	Low	71.1	Confident	1 Å²	1	43.1 Å²	43.1	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-74.9	-38.2	172.5	-79.7	-72.7	0	0	0	112.3	V132 Y133 A138 F140 E145 Q146 V160 I191 F196	V132-F142 HydrophobicContact CG1-CE2 4.03Å; V132-F142 HydrophobicContact CG1-CZ 4.42Å; Y133-F142 HydrophobicContact CD1-CE2 4.17Å; Y133-F142 HydrophobicContact CD1-CZ 4.32Å; Y133-F142 AromaticContact CE1-CE2 3.95Å; Y133-F142 HydrophobicContact CE1-CE2 3.95Å; Y133-F142 AromaticContact CE1-CZ 3.66Å; Y133-F142 HydrophobicContact CE1-CZ 3.66Å; Y133-F142 AromaticContact CZ-CZ 3.86Å; A138-F142 HydrophobicContact CB-CD2 4.35Å; A138-F142 VanDerWaalsContact O-CD2 3.31Å; A138-F142 WeakPolarHBondContact O-CD2 3.35Å; A138-F142 PolarHBondContact O-N 3.35Å; F140-F142 PolarHBondContact O-N 3.29Å; F142-E145 WeakPolarHBondContact O-CB 3.36Å; F142-E145 PolarHBondContact O-N 3.17Å; F142-E145 VanDerWaalsContact O-N 3.15Å; F142-Q146 WeakPolarHBondContact O-CG 3.32Å; F142-Q146 PolarHBondContact O-N 3.32Å; F142-V160 HydrophobicContact CD1-CB 4.31Å; F142-V160 HydrophobicContact CD1-CG1 4.08Å; F142-V160 HydrophobicContact CD1-CG2 4.46Å; F142-V160 HydrophobicContact CD2-CG1 4.47Å; F142-V160 HydrophobicContact CE1-CB 3.88Å; F142-V160 HydrophobicContact CE1-CG1 4.11Å; F142-V160 HydrophobicContact CE1-CG2 4.14Å; F142-V160 HydrophobicContact CE2-CG1 4.49Å; F142-V160 HydrophobicContact CG-CG1 4.27Å; F142-V160 HydrophobicContact CZ-CB 4.09Å; F142-V160 HydrophobicContact CZ-CG1 4.32Å; F142-I191 HydrophobicContact CE1-CG2 4.04Å; F142-F196 HydrophobicContact CB-CD1 4.3Å; F142-F196 HydrophobicContact CB-CE1 3.72Å; F142-F196 HydrophobicContact CB-CE2 4.3Å; F142-F196 HydrophobicContact CB-CZ 3.72Å; F142-F196 HydrophobicContact CD1-CD1 4.27Å; F142-F196 HydrophobicContact CD1-CG 4.29Å; F142-F196 HydrophobicContact CD2-CD1 4.42Å; F142-F196 AromaticContact CD2-CD2 3.6Å; F142-F196 HydrophobicContact CD2-CD2 3.6Å; F142-F196 HydrophobicContact CD2-CE1 4.23Å; F142-F196 AromaticContact CD2-CE2 3.38Å; F142-F196 HydrophobicContact CD2-CE2 3.38Å; F142-F196 HydrophobicContact CD2-CG 4.13Å; F142-F196 AromaticContact CD2-CZ 3.73Å; F142-F196 HydrophobicContact CD2-CZ 3.73Å; F142-F196 HydrophobicContact CE1-CG 4.36Å; F142-F196 AromaticContact CE2-CD2 3.62Å; F142-F196 HydrophobicContact CE2-CD2 3.62Å; F142-F196 AromaticContact CE2-CE2 3.84Å; F142-F196 HydrophobicContact CE2-CE2 3.84Å; F142-F196 HydrophobicContact CE2-CG 4.21Å; F142-F196 HydrophobicContact CG-CD1 4.1Å; F142-F196 HydrophobicContact CG-CD2 4.1Å; F142-F196 AromaticContact CG-CE1 3.93Å; F142-F196 HydrophobicContact CG-CE1 3.93Å; F142-F196 AromaticContact CG-CE2 3.94Å; F142-F196 HydrophobicContact CG-CE2 3.94Å; F142-F196 HydrophobicContact CG-CG 4.18Å; F142-F196 AromaticContact CG-CZ 3.86Å; F142-F196 HydrophobicContact CG-CZ 3.86Å; F142-F196 HydrophobicContact CZ-CD2 4.13Å; F142-F196 HydrophobicContact CZ-CG 4.33Å
143	A	69.8	Low	72.2	Confident	55 Å²	55	43.3 Å²	43.3	46%	0.455	21%	0.214	S	C	.	.	H	α-helix	trans	-62.4	-43.9	171.4	0	0	0	0	0	111.5	T139 F140 E145 Q146 I147	T139-A143 VanDerWaalsContact O-CB 3.25Å; T139-A143 WeakPolarHBondContact O-CB 3.38Å; T139-A143 PolarHBondContact O-N 3.41Å; F140-A143 PolarHBondContact O-N 3.1Å; A143-E145 PolarHBondContact O-N 3.46Å; A143-Q146 PolarHBondContact O-N 3.04Å; A143-I147 PolarHBondContact O-N 3.24Å
144	A	73.8	Confident	73.7	Confident	2 Å²	2	42.4 Å²	42.4	2%	0.017	21%	0.212	C	C	.	.	H	α-helix	trans	-65.4	-17.9	174.6	0	0	0	0	0	113.5	F91 I108 F140 Q146 I147 A153 A156	F91-A144 HydrophobicContact CZ-CB 4.48Å; I108-A144 HydrophobicContact CD1-CB 4.19Å; I108-A144 HydrophobicContact CG1-CB 4.15Å; F140-A144 HydrophobicContact CE1-CB 4.38Å; F140-A144 WeakPolarHBondContact O-CB 2.8Å; F140-A144 PolarHBondContact O-N 3.01Å; A144-Q146 VanDerWaalsContact C-N 3.35Å; A144-I147 WeakPolarHBondContact O-CD1 3.33Å; A144-I147 WeakPolarHBondContact O-CG1 3.36Å; A144-A153 VanDerWaalsContact O-CA 3.32Å; A144-A153 WeakPolarHBondContact O-CA 3.07Å; A144-A156 VanDerWaalsContact C-CB 3.41Å; A144-A156 HydrophobicContact CB-CB 3.86Å; A144-A156 WeakPolarHBondContact O-CB 3.45Å
145	E	79.4	Confident	75.2	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.009	20%	0.196	C	C	.	.	H	α-helix	trans	-77.7	-21.7	171.8	-169.2	-88.4	136.1	0	0	112.7	L141 F142 A143 A156 R157 V160 R193	L141-E145 PolarHBondContact O-N 3.37Å; L141-E145 VanDerWaalsContact O-N 3.17Å; F142-E145 WeakPolarHBondContact O-CB 3.36Å; F142-E145 PolarHBondContact O-N 3.17Å; F142-E145 VanDerWaalsContact O-N 3.15Å; A143-E145 PolarHBondContact O-N 3.46Å; E145-A156 HydrophobicContact CB-CB 4.13Å; E145-R157 HydrophobicContact CG-CB 3.93Å; E145-R157 HydrophobicContact CG-CG 4.18Å; E145-R157 IonicContact OE1-CZ 2.86Å; E145-R157 IonicContact OE1-NE 3.27Å; E145-R157 PolarHBondContact OE1-NE 3.23Å; E145-R157 IonicContact OE1-NH2 2.76Å; E145-R157 PolarHBondContact OE1-NH2 3.02Å; E145-V160 HydrophobicContact CG-CG2 4.08Å; E145-R193 IonicContact OE1-CZ 2.6Å; E145-R193 IonicContact OE1-NH2 3.96Å; E145-R193 PolarHBondContact OE1-NH2 3.49Å; E145-R193 IonicContact OE2-CZ 2.82Å; E145-R193 IonicContact OE2-NE 2.83Å; E145-R193 PolarHBondContact OE2-NE 2.84Å; E145-R193 IonicContact OE2-NH2 3.54Å; E145-R193 PolarHBondContact OE2-NH2 3.23Å
146	Q	73.9	Confident	76.1	Confident	127 Å²	127	39.7 Å²	39.7	59%	0.593	19%	0.194	S	C	*	.	H	α-helix	trans	-101.6	-9	-172.9	-64.7	177.9	29.6	0	0	114	F142 A143 A144	F142-Q146 WeakPolarHBondContact O-CG 3.32Å; F142-Q146 PolarHBondContact O-N 3.32Å; A143-Q146 PolarHBondContact O-N 3.04Å; A144-Q146 VanDerWaalsContact C-N 3.35Å
147	I	77.1	Confident	77.1	Confident	27 Å²	27	42.1 Å²	42.1	14%	0.138	20%	0.201	C	C	.	.	S	Bend	trans	-59.4	147.4	175.4	64.9	-168.3	0	0	0	112	F91 I93 A143 A144 H149 E152 A153	F91-I147 HydrophobicContact CZ-CD1 4.17Å; I93-I147 HydrophobicContact CD1-CG2 4.02Å; A143-I147 PolarHBondContact O-N 3.24Å; A144-I147 WeakPolarHBondContact O-CD1 3.33Å; A144-I147 WeakPolarHBondContact O-CG1 3.36Å; I147-H149 HydrophobicContact CD1-CB 4.48Å; I147-H149 HydrophobicContact CG1-CB 4.39Å; I147-H149 PolarHBondContact O-N 3.13Å; I147-E152 HydrophobicContact CD1-CB 3.6Å; I147-A153 HydrophobicContact CG1-CB 3.95Å; I147-A153 WeakPolarHBondContact O-CB 3.33Å
148	E	74	Confident	77.8	Confident	194 Å²	194	41.7 Å²	41.7	91%	0.907	20%	0.2	S	C	*	.	S	Bend	trans	-63.7	-26.5	-179.3	-58.2	-172	155.6	0	0	112.7	R150	E148-R150 PolarHBondContact O-N 2.95Å
149	H	77.5	Confident	78.7	Confident	30 Å²	30	41.6 Å²	41.6	14%	0.139	20%	0.199	C	C	.	.			trans	-67.1	97	179.6	-68.6	-41.6	0	0	0	112.4	I93 I147 I151 E152 A153	I93-H149 PolarHBondContact O-NE2 2.77Å; I147-H149 HydrophobicContact CD1-CB 4.48Å; I147-H149 HydrophobicContact CG1-CB 4.39Å; I147-H149 PolarHBondContact O-N 3.13Å; H149-I151 VanDerWaalsContact C-N 3.26Å; H149-I151 PolarHBondContact O-N 3.16Å; H149-I151 VanDerWaalsContact O-N 3.09Å; H149-E152 HydrophobicContact CB-CB 4.43Å; H149-E152 PolarHBondContact O-N 2.72Å; H149-A153 VanDerWaalsContact O-CB 3.3Å; H149-A153 WeakPolarHBondContact O-CB 3.4Å; H149-A153 PolarHBondContact O-N 2.8Å
150	R	81.9	Confident	79.3	Confident	211 Å²	211	39.4 Å²	39.4	80%	0.796	19%	0.185	S	C	*	.	H	α-helix	trans	-53.5	-32.8	-170.2	-177.3	178.1	174	-165.1	-2.4	115.2	E148 M154	E148-R150 PolarHBondContact O-N 2.95Å; R150-M154 VanDerWaalsContact O-CB 3.24Å; R150-M154 WeakPolarHBondContact O-CB 3.38Å; R150-M154 PolarHBondContact O-N 3.3Å
151	I	87.1	Confident	79.3	Confident	42 Å²	42	39.2 Å²	39.2	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-80.2	-45.7	-174.3	-59.6	-177.5	0	0	0	110.2	L105 H149 M154 L155 F175 I176 A179	L105-I151 HydrophobicContact CD1-CG2 4.2Å; L105-I151 HydrophobicContact CD2-CG2 4.3Å; H149-I151 VanDerWaalsContact C-N 3.26Å; H149-I151 PolarHBondContact O-N 3.16Å; H149-I151 VanDerWaalsContact O-N 3.09Å; I151-M154 WeakPolarHBondContact O-CB 3.49Å; I151-M154 PolarHBondContact O-N 3.23Å; I151-L155 PolarHBondContact O-N 2.7Å; I151-L155 VanDerWaalsContact O-N 3.1Å; I151-F175 HydrophobicContact CG2-CD1 3.96Å; I151-F175 HydrophobicContact CG2-CE1 3.65Å; I151-F175 WeakPolarHBondContact O-CE1 3.44Å; I151-I176 HydrophobicContact CD1-CG2 4.1Å; I151-I176 HydrophobicContact CG2-CG1 4.1Å; I151-A179 HydrophobicContact CG2-CB 4.17Å
152	E	87.6	Confident	79.5	Confident	5 Å²	5	42.2 Å²	42.2	2%	0.023	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-47.5	176.6	-62.9	93.8	129	0	0	111.2	R104 L105 I108 I147 H149 M154 L155 A156	R104-E152 HydrophobicContact CB-CG 3.86Å; R104-E152 IonicContact CZ-OE1 3.18Å; R104-E152 IonicContact NE-OE1 3.46Å; R104-E152 PolarHBondContact NE-OE1 3.09Å; R104-E152 IonicContact NH2-OE1 2.69Å; R104-E152 PolarHBondContact NH2-OE1 2.93Å; L105-E152 HydrophobicContact CD2-CG 4.2Å; L105-E152 HydrophobicContact CG-CG 4.22Å; I108-E152 HydrophobicContact CD1-CB 3.92Å; I147-E152 HydrophobicContact CD1-CB 3.6Å; H149-E152 HydrophobicContact CB-CB 4.43Å; H149-E152 PolarHBondContact O-N 2.72Å; E152-M154 PolarHBondContact O-N 2.89Å; E152-L155 PolarHBondContact O-N 3.33Å; E152-A156 PolarHBondContact O-N 2.76Å
153	A	82.4	Confident	79.9	Confident	7 Å²	7	44.2 Å²	44.2	6%	0.058	21%	0.214	C	C	.	.	H	α-helix	trans	-54.7	-37.1	171.9	0	0	0	0	0	112.2	A144 I147 H149 R157	A144-A153 VanDerWaalsContact O-CA 3.32Å; A144-A153 WeakPolarHBondContact O-CA 3.07Å; I147-A153 HydrophobicContact CG1-CB 3.95Å; I147-A153 WeakPolarHBondContact O-CB 3.33Å; H149-A153 VanDerWaalsContact O-CB 3.3Å; H149-A153 WeakPolarHBondContact O-CB 3.4Å; H149-A153 PolarHBondContact O-N 2.8Å; A153-R157 VanDerWaalsContact O-CB 3.23Å; A153-R157 WeakPolarHBondContact O-CB 3.48Å; A153-R157 PolarHBondContact O-N 3.32Å
154	M	86.1	Confident	80.6	Confident	24 Å²	24	42 Å²	42	12%	0.118	20%	0.195	C	C	.	.	H	α-helix	trans	-71.9	-34.1	177.4	-166.6	-173.5	71.8	0	0	113.1	R150 I151 E152 R157 I158 F175 A179 L184 V186	R150-M154 VanDerWaalsContact O-CB 3.24Å; R150-M154 WeakPolarHBondContact O-CB 3.38Å; R150-M154 PolarHBondContact O-N 3.3Å; I151-M154 WeakPolarHBondContact O-CB 3.49Å; I151-M154 PolarHBondContact O-N 3.23Å; E152-M154 PolarHBondContact O-N 2.89Å; M154-R157 PolarHBondContact O-N 3.34Å; M154-I158 HydrophobicContact CG-CD1 4.36Å; M154-I158 WeakPolarHBondContact O-CD1 3.29Å; M154-I158 VanDerWaalsContact O-CG1 3.27Å; M154-I158 WeakPolarHBondContact O-CG1 3.46Å; M154-I158 PolarHBondContact O-N 3.25Å; M154-F175 HydrophobicContact CE-CE1 4.04Å; M154-F175 HydrophobicContact CE-CE2 3.94Å; M154-F175 HydrophobicContact CE-CZ 3.43Å; M154-F175 VanDerWaalsContact CE-CZ 3.43Å; M154-A179 HydrophobicContact CE-CB 3.25Å; M154-A179 HydrophobicContact SD-CB 4.36Å; M154-L184 HydrophobicContact CE-CB 4.2Å; M154-L184 HydrophobicContact CE-CD1 3.51Å; M154-L184 HydrophobicContact CE-CG 4.49Å; M154-V186 HydrophobicContact CG-CG1 4.45Å; M154-V186 HydrophobicContact CG-CG2 3.36Å; M154-V186 HydrophobicContact SD-CG2 3.49Å; M154-V186 WeakPolarHBondContact SD-CG2 2.95Å
155	L	88.3	Confident	81	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.9	-48.3	173.1	179.6	61.4	0	0	0	110.6	F64 L105 I108 I151 E152 R157 I158 I159 V167 F175	F64-L155 HydrophobicContact CE1-CD2 4.2Å; F64-L155 HydrophobicContact CE2-CD1 4.49Å; F64-L155 HydrophobicContact CZ-CD2 3.96Å; L105-L155 HydrophobicContact CB-CD2 4.09Å; L105-L155 HydrophobicContact CD2-CB 3.7Å; L105-L155 HydrophobicContact CD2-CD2 3.55Å; L105-L155 HydrophobicContact CD2-CG 4.25Å; L105-L155 HydrophobicContact CG-CD2 4.45Å; L105-L155 VanDerWaalsContact O-CD2 3.27Å; L105-L155 WeakPolarHBondContact O-CD2 2.99Å; I108-L155 HydrophobicContact CB-CD2 4.15Å; I108-L155 HydrophobicContact CG2-CD2 3.96Å; I108-L155 HydrophobicContact CG2-CG 4Å; I151-L155 PolarHBondContact O-N 2.7Å; I151-L155 VanDerWaalsContact O-N 3.1Å; E152-L155 PolarHBondContact O-N 3.33Å; L155-R157 VanDerWaalsContact C-N 3.3Å; L155-R157 PolarHBondContact O-N 3.42Å; L155-I158 PolarHBondContact O-N 2.72Å; L155-I158 VanDerWaalsContact O-N 3.15Å; L155-I159 HydrophobicContact CG-CD1 4.19Å; L155-I159 PolarHBondContact O-N 2.9Å; L155-V167 HydrophobicContact CD1-CB 4.34Å; L155-V167 HydrophobicContact CD1-CG1 4.35Å; L155-V167 HydrophobicContact CD1-CG2 3.94Å; L155-F175 HydrophobicContact CB-CE1 3.89Å; L155-F175 HydrophobicContact CB-CE2 4.38Å; L155-F175 HydrophobicContact CB-CZ 3.62Å; L155-F175 HydrophobicContact CD1-CE2 4.01Å; L155-F175 HydrophobicContact CD1-CZ 4.12Å; L155-F175 HydrophobicContact CG-CZ 4.43Å
156	A	84.4	Confident	81.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.4	-44	174.3	0	0	0	0	0	111.1	I108 A144 E145 E152 I158 I159 V160	I108-A156 HydrophobicContact CG2-CB 4.28Å; A144-A156 VanDerWaalsContact C-CB 3.41Å; A144-A156 HydrophobicContact CB-CB 3.86Å; A144-A156 WeakPolarHBondContact O-CB 3.45Å; E145-A156 HydrophobicContact CB-CB 4.13Å; E152-A156 PolarHBondContact O-N 2.76Å; A156-I158 VanDerWaalsContact C-N 3.33Å; A156-I158 PolarHBondContact O-N 2.82Å; A156-I159 CarbonylContact O-C 3.57Å; A156-I159 WeakPolarHBondContact O-CA 3.07Å; A156-I159 WeakPolarHBondContact O-CB 3.24Å; A156-I159 PolarHBondContact O-N 3.36Å; A156-V160 PolarHBondContact O-N 3.34Å
157	R	82.5	Confident	81.9	Confident	62 Å²	62	44.3 Å²	44.3	23%	0.234	21%	0.209	C	C	.	.	H	α-helix	trans	-58.5	-39.2	174.8	-163	171.2	-72.5	151.3	10.9	113.5	E145 A153 M154 L155 I159 S161 V186 I191	E145-R157 HydrophobicContact CG-CB 3.93Å; E145-R157 HydrophobicContact CG-CG 4.18Å; E145-R157 IonicContact OE1-CZ 2.86Å; E145-R157 IonicContact OE1-NE 3.27Å; E145-R157 PolarHBondContact OE1-NE 3.23Å; E145-R157 IonicContact OE1-NH2 2.76Å; E145-R157 PolarHBondContact OE1-NH2 3.02Å; A153-R157 VanDerWaalsContact O-CB 3.23Å; A153-R157 WeakPolarHBondContact O-CB 3.48Å; A153-R157 PolarHBondContact O-N 3.32Å; M154-R157 PolarHBondContact O-N 3.34Å; L155-R157 VanDerWaalsContact C-N 3.3Å; L155-R157 PolarHBondContact O-N 3.42Å; R157-I159 VanDerWaalsContact C-N 3.35Å; R157-S161 VanDerWaalsContact O-CB 3.32Å; R157-S161 WeakPolarHBondContact O-CB 3.37Å; R157-S161 PolarHBondContact O-N 2.89Å; R157-S161 VanDerWaalsContact O-N 3.1Å; R157-S161 PolarHBondContact O-OG 3.38Å; R157-V186 HydrophobicContact CB-CG1 4.4Å; R157-V186 HydrophobicContact CG-CG1 3.91Å; R157-I191 HydrophobicContact CG-CD1 3.55Å
158	I	83	Confident	82.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68.7	-34.5	175.6	-71.5	164.1	0	0	0	111.1	M154 L155 A156 S161 N163 V167 F175	M154-I158 HydrophobicContact CG-CD1 4.36Å; M154-I158 WeakPolarHBondContact O-CD1 3.29Å; M154-I158 VanDerWaalsContact O-CG1 3.27Å; M154-I158 WeakPolarHBondContact O-CG1 3.46Å; M154-I158 PolarHBondContact O-N 3.25Å; L155-I158 PolarHBondContact O-N 2.72Å; L155-I158 VanDerWaalsContact O-N 3.15Å; A156-I158 VanDerWaalsContact C-N 3.33Å; A156-I158 PolarHBondContact O-N 2.82Å; I158-S161 PolarHBondContact O-OG 3.3Å; I158-N163 HydrophobicContact CG2-CB 3.93Å; I158-N163 WeakPolarHBondContact CG2-O 3.31Å; I158-N163 WeakPolarHBondContact O-CA 3.28Å; I158-N163 WeakPolarHBondContact O-CB 3.37Å; I158-N163 PolarHBondContact O-N 2.9Å; I158-V167 HydrophobicContact CD1-CG1 3.88Å; I158-V167 HydrophobicContact CG2-CG1 3.96Å; I158-V167 HydrophobicContact CG2-CG2 4.19Å; I158-F175 HydrophobicContact CD1-CE2 4.03Å; I158-F175 HydrophobicContact CD1-CZ 4.44Å
159	I	83.7	Confident	83.2	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.9	-55.7	173.1	-69.5	156	0	0	0	110.6	I108 W112 V132 L141 L155 A156 R157 S161 N162 I164	I108-I159 HydrophobicContact CG2-CD1 3.53Å; W112-I159 HydrophobicContact CB-CD1 4.12Å; W112-I159 HydrophobicContact CB-CG1 4.46Å; W112-I159 HydrophobicContact CB-CG2 4.19Å; W112-I159 HydrophobicContact CD2-CG2 3.61Å; W112-I159 HydrophobicContact CE3-CG2 3.42Å; W112-I159 VanDerWaalsContact CE3-CG2 3.42Å; W112-I159 HydrophobicContact CG-CD1 4.49Å; W112-I159 HydrophobicContact CG-CG1 4.31Å; W112-I159 HydrophobicContact CG-CG2 3.94Å; W112-I159 HydrophobicContact CZ3-CG2 4.04Å; V132-I159 WeakPolarHBondContact CG2-O 3.43Å; L141-I159 HydrophobicContact CD1-CG2 3.94Å; L141-I159 HydrophobicContact CD2-CD1 4.37Å; L141-I159 HydrophobicContact CD2-CG2 4.15Å; L155-I159 HydrophobicContact CG-CD1 4.19Å; L155-I159 PolarHBondContact O-N 2.9Å; A156-I159 CarbonylContact O-C 3.57Å; A156-I159 WeakPolarHBondContact O-CA 3.07Å; A156-I159 WeakPolarHBondContact O-CB 3.24Å; A156-I159 PolarHBondContact O-N 3.36Å; R157-I159 VanDerWaalsContact C-N 3.35Å; I159-S161 PolarHBondContact O-N 3.47Å; I159-N162 WeakPolarHBondContact O-CA 3.13Å; I159-N162 PolarHBondContact O-N 3.12Å; I159-I164 HydrophobicContact CD1-CD1 4.45Å; I159-I164 HydrophobicContact CG1-CD1 3.57Å
160	V	75.5	Confident	83.8	Confident	12 Å²	12	44.7 Å²	44.7	7%	0.073	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-25.5	-174.3	-53.3	0	0	0	0	113.6	V132 L141 F142 E145 A156 N162 I191	V132-V160 HydrophobicContact CG1-CB 4.14Å; V132-V160 HydrophobicContact CG1-CG1 4.01Å; L141-V160 HydrophobicContact CB-CG1 3.99Å; F142-V160 HydrophobicContact CD1-CB 4.31Å; F142-V160 HydrophobicContact CD1-CG1 4.08Å; F142-V160 HydrophobicContact CD1-CG2 4.46Å; F142-V160 HydrophobicContact CD2-CG1 4.47Å; F142-V160 HydrophobicContact CE1-CB 3.88Å; F142-V160 HydrophobicContact CE1-CG1 4.11Å; F142-V160 HydrophobicContact CE1-CG2 4.14Å; F142-V160 HydrophobicContact CE2-CG1 4.49Å; F142-V160 HydrophobicContact CG-CG1 4.27Å; F142-V160 HydrophobicContact CZ-CB 4.09Å; F142-V160 HydrophobicContact CZ-CG1 4.32Å; E145-V160 HydrophobicContact CG-CG2 4.08Å; A156-V160 PolarHBondContact O-N 3.34Å; V160-N162 VanDerWaalsContact C-N 3.27Å; V160-N162 PolarHBondContact O-N 3.3Å; V160-I191 HydrophobicContact CG2-CG2 4.29Å
161	S	75.6	Confident	84.4	Confident	22 Å²	22	35.7 Å²	35.7	15%	0.154	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	10	170.9	63.6	0	0	0	0	114.3	R157 I158 I159 N163	R157-S161 VanDerWaalsContact O-CB 3.32Å; R157-S161 WeakPolarHBondContact O-CB 3.37Å; R157-S161 PolarHBondContact O-N 2.89Å; R157-S161 VanDerWaalsContact O-N 3.1Å; R157-S161 PolarHBondContact O-OG 3.38Å; I158-S161 PolarHBondContact O-OG 3.3Å; I159-S161 PolarHBondContact O-N 3.47Å; S161-N163 VanDerWaalsContact C-N 3.26Å; S161-N163 PolarHBondContact O-N 3.37Å; S161-N163 PolarHBondContact O-ND2 3.26Å; S161-N163 PolarHBondContact OG-ND2 2.85Å
162	N	75.9	Confident	84.7	Confident	63 Å²	63	33.7 Å²	33.7	34%	0.337	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	34.8	-178.7	-177.3	51.9	0	0	0	114.2	S130 I159 V160	S130-N162 WeakPolarHBondContact CB-ND2 3.35Å; S130-N162 PolarHBondContact OG-ND2 3.27Å; I159-N162 WeakPolarHBondContact O-CA 3.13Å; I159-N162 PolarHBondContact O-N 3.12Å; V160-N162 VanDerWaalsContact C-N 3.27Å; V160-N162 PolarHBondContact O-N 3.3Å
163	N	79	Confident	85	Confident	43 Å²	43	34.3 Å²	34.3	23%	0.23	17%	0.171	C	C	.	.			trans	-101.7	17.2	-178.7	-82.9	-73.1	0	0	0	113.7	I158 S161 N165 Q166	I158-N163 HydrophobicContact CG2-CB 3.93Å; I158-N163 WeakPolarHBondContact CG2-O 3.31Å; I158-N163 WeakPolarHBondContact O-CA 3.28Å; I158-N163 WeakPolarHBondContact O-CB 3.37Å; I158-N163 PolarHBondContact O-N 2.9Å; S161-N163 VanDerWaalsContact C-N 3.26Å; S161-N163 PolarHBondContact O-N 3.37Å; S161-N163 PolarHBondContact O-ND2 3.26Å; S161-N163 PolarHBondContact OG-ND2 2.85Å; N163-N165 PolarHBondContact O-N 2.87Å; N163-Q166 WeakPolarHBondContact O-CB 3.34Å; N163-Q166 WeakPolarHBondContact O-CG 3.05Å; N163-Q166 PolarHBondContact O-N 3.5Å; N163-Q166 PolarHBondContact OD1-NE2 3.22Å
164	I	83.1	Confident	85.4	Confident	10 Å²	10	37.3 Å²	37.3	5%	0.051	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-50.2	-33.8	-171.2	-162.4	63.9	0	0	0	114.9	Y109 I159 Q166 V167 E168	Y109-I164 HydrophobicContact CD2-CD1 3.9Å; Y109-I164 HydrophobicContact CE2-CD1 3.59Å; Y109-I164 HydrophobicContact CE2-CG1 4Å; I159-I164 HydrophobicContact CD1-CD1 4.45Å; I159-I164 HydrophobicContact CG1-CD1 3.57Å; I164-Q166 PolarHBondContact O-N 3.25Å; I164-V167 HydrophobicContact CD1-CG2 3.78Å; I164-V167 VanDerWaalsContact O-CG2 3.22Å; I164-V167 WeakPolarHBondContact O-CG2 3.35Å; I164-V167 PolarHBondContact O-N 3.23Å; I164-E168 HydrophobicContact CG1-CG 4.3Å; I164-E168 PolarHBondContact O-N 3.43Å
165	N	83.4	Confident	85.8	Confident	124 Å²	124	36.1 Å²	36.1	66%	0.663	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-53.8	-24	176.6	-65.9	-68	0	0	0	114	N163 V167	N163-N165 PolarHBondContact O-N 2.87Å; N165-V167 VanDerWaalsContact C-N 3.34Å
166	Q	83.3	Confident	85.9	Confident	55 Å²	55	37.3 Å²	37.3	26%	0.257	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-72	-24.5	177.8	-64.6	-166.6	50.4	0	0	113.7	N163 I164 T185	N163-Q166 WeakPolarHBondContact O-CB 3.34Å; N163-Q166 WeakPolarHBondContact O-CG 3.05Å; N163-Q166 PolarHBondContact O-N 3.5Å; N163-Q166 PolarHBondContact OD1-NE2 3.22Å; I164-Q166 PolarHBondContact O-N 3.25Å; Q166-T185 PolarHBondContact NE2-O 3.15Å; Q166-T185 PolarHBondContact OE1-O 2.91Å
167	V	87.6	Confident	86.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-23.4	-170.3	-61	0	0	0	0	114.1	F64 L155 I158 I164 N165 K169 L170 F175 L184	F64-V167 HydrophobicContact CD2-CB 4.41Å; L155-V167 HydrophobicContact CD1-CB 4.34Å; L155-V167 HydrophobicContact CD1-CG1 4.35Å; L155-V167 HydrophobicContact CD1-CG2 3.94Å; I158-V167 HydrophobicContact CD1-CG1 3.88Å; I158-V167 HydrophobicContact CG2-CG1 3.96Å; I158-V167 HydrophobicContact CG2-CG2 4.19Å; I164-V167 HydrophobicContact CD1-CG2 3.78Å; I164-V167 VanDerWaalsContact O-CG2 3.22Å; I164-V167 WeakPolarHBondContact O-CG2 3.35Å; I164-V167 PolarHBondContact O-N 3.23Å; N165-V167 VanDerWaalsContact C-N 3.34Å; V167-K169 PolarHBondContact O-N 3.11Å; V167-L170 HydrophobicContact CG1-CD1 4.48Å; V167-L170 WeakPolarHBondContact O-CB 3.48Å; V167-L170 PolarHBondContact O-N 3.37Å; V167-F175 HydrophobicContact CB-CD2 4.3Å; V167-F175 HydrophobicContact CB-CE2 4.46Å; V167-F175 HydrophobicContact CG1-CD2 3.72Å; V167-F175 HydrophobicContact CG1-CE2 3.54Å; V167-L184 HydrophobicContact CG1-CD2 4.18Å
168	E	87.4	Confident	86.5	Confident	45 Å²	45	44 Å²	44	21%	0.21	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-33.7	-177.6	-83.2	-167.5	-179.1	0	0	116.4	N65 I164	N65-E168 HydrophobicContact CB-CB 3.86Å; N65-E168 HydrophobicContact CB-CG 4.12Å; N65-E168 VanDerWaalsContact CB-O 3.22Å; N65-E168 WeakPolarHBondContact CB-O 3.4Å; N65-E168 PolarHBondContact N-O 3.11Å; N65-E168 PolarHBondContact ND2-OE2 2.92Å; I164-E168 HydrophobicContact CG1-CG 4.3Å; I164-E168 PolarHBondContact O-N 3.43Å
169	K	91.3	Very high	86.6	Confident	186 Å²	186	44.5 Å²	44.5	81%	0.809	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-8.2	-176.9	-64.7	-178.9	-179	176	0	114.1	V167	V167-K169 PolarHBondContact O-N 3.11Å
170	L	91.6	Very high	86.6	Confident	27 Å²	27	48.6 Å²	48.6	14%	0.141	26%	0.257	C	S	.	.	S	Bend	trans	-88.8	145.1	-178.8	-55.2	176.4	0	0	0	110	S63 F64 V167 D174 F175 K178 L184	S63-L170 CarbonylContact C-O 3.58Å; S63-L170 WeakPolarHBondContact CA-O 3.27Å; F64-L170 WeakPolarHBondContact CD2-O 3Å; F64-L170 PolarHBondContact N-O 3.27Å; V167-L170 HydrophobicContact CG1-CD1 4.48Å; V167-L170 WeakPolarHBondContact O-CB 3.48Å; V167-L170 PolarHBondContact O-N 3.37Å; L170-D174 HydrophobicContact CB-CB 4.21Å; L170-D174 HydrophobicContact CD2-CB 4.29Å; L170-F175 HydrophobicContact CB-CB 4.38Å; L170-F175 HydrophobicContact CD1-CB 4.37Å; L170-F175 HydrophobicContact CD1-CD2 4.16Å; L170-K178 HydrophobicContact CD1-CD 3.81Å; L170-K178 HydrophobicContact CD2-CD 4.18Å; L170-L184 HydrophobicContact CD1-CD2 4.24Å
171	T	94.6	Very high	87	Confident	22 Å²	22	52.1 Å²	52.1	14%	0.135	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-75.7	163	159.4	69	0	0	0	0	109.8	K62 P173 D174 F175	K62-T171 WeakPolarHBondContact O-CA 3.32Å; T171-P173 WeakPolarHBondContact OG1-CD 3.44Å; T171-D174 WeakPolarHBondContact CB-OD2 3.19Å; T171-D174 WeakPolarHBondContact CG2-OD2 3.31Å; T171-D174 PolarHBondContact N-OD2 3.16Å; T171-D174 PolarHBondContact O-N 3.3Å; T171-D174 VanDerWaalsContact O-N 3.16Å; T171-D174 PolarHBondContact OG1-N 2.65Å; T171-D174 VanDerWaalsContact OG1-N 3.11Å; T171-D174 PolarHBondContact OG1-OD2 3.46Å; T171-F175 WeakPolarHBondContact O-CB 3.5Å; T171-F175 PolarHBondContact O-N 3.13Å
172	A	92.3	Very high	87.1	Confident	1 Å²	1	54 Å²	54	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-57.4	-42.5	173.3	0	0	0	0	0	112.8	F64 I102 L105 D174 F175 I176	F64-A172 HydrophobicContact CE1-CB 4.29Å; F64-A172 HydrophobicContact CZ-CB 4.01Å; I102-A172 HydrophobicContact CG1-CB 4.31Å; I102-A172 HydrophobicContact CG2-CB 4.08Å; L105-A172 HydrophobicContact CB-CB 4.33Å; L105-A172 HydrophobicContact CD1-CB 4.33Å; A172-D174 PolarHBondContact O-N 2.76Å; A172-F175 PolarHBondContact O-N 2.76Å; A172-I176 WeakPolarHBondContact O-CG1 2.98Å; A172-I176 PolarHBondContact O-N 2.93Å
173	P	93.5	Very high	86.9	Confident	17 Å²	17	53.1 Å²	53.1	11%	0.11	32%	0.317	C	S	.	.	H	α-helix	trans	-57.4	-43.6	169	-28.6	36.3	0	0	0	115.2	T60 I102 T171 F175 I176 Q177	T60-P173 WeakPolarHBondContact O-CD 3.14Å; I102-P173 HydrophobicContact CD1-CG 4.11Å; T171-P173 WeakPolarHBondContact OG1-CD 3.44Å; P173-F175 VanDerWaalsContact C-N 3.31Å; P173-F175 PolarHBondContact O-N 3.48Å; P173-I176 PolarHBondContact O-N 2.89Å; P173-Q177 WeakPolarHBondContact O-CG 3.49Å; P173-Q177 PolarHBondContact O-N 3.43Å; P173-Q177 VanDerWaalsContact O-N 3.1Å
174	D	92.1	Very high	86.8	Confident	70 Å²	70	51.8 Å²	51.8	37%	0.374	31%	0.309	S	S	.	.	H	α-helix	trans	-66.5	-36.8	178	-60.1	-44.7	0	0	0	111.3	L170 T171 A172 Q177 K178	L170-D174 HydrophobicContact CB-CB 4.21Å; L170-D174 HydrophobicContact CD2-CB 4.29Å; T171-D174 WeakPolarHBondContact CB-OD2 3.19Å; T171-D174 WeakPolarHBondContact CG2-OD2 3.31Å; T171-D174 PolarHBondContact N-OD2 3.16Å; T171-D174 PolarHBondContact O-N 3.3Å; T171-D174 VanDerWaalsContact O-N 3.16Å; T171-D174 PolarHBondContact OG1-N 2.65Å; T171-D174 VanDerWaalsContact OG1-N 3.11Å; T171-D174 PolarHBondContact OG1-OD2 3.46Å; A172-D174 PolarHBondContact O-N 2.76Å; D174-Q177 PolarHBondContact O-N 3.09Å; D174-K178 VanDerWaalsContact O-CB 3.23Å; D174-K178 WeakPolarHBondContact O-CB 3.24Å; D174-K178 PolarHBondContact O-N 3.13Å
175	F	93.1	Very high	86.1	Confident	0 Å²	0	56 Å²	56	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62.8	-47.9	175	178.5	-91.5	0	0	0	111.2	F64 L105 I151 M154 L155 I158 V167 L170 T171 A172 P173 Q177 K178 A179 L184	F64-F175 HydrophobicContact CE2-CB 3.82Å; F64-F175 HydrophobicContact CE2-CD2 4.29Å; F64-F175 HydrophobicContact CE2-CG 4.05Å; F64-F175 HydrophobicContact CZ-CB 4.39Å; L105-F175 HydrophobicContact CD1-CD1 3.91Å; L105-F175 HydrophobicContact CD1-CE1 4.45Å; L105-F175 HydrophobicContact CD2-CD1 3.81Å; L105-F175 HydrophobicContact CD2-CE1 3.59Å; I151-F175 HydrophobicContact CG2-CD1 3.96Å; I151-F175 HydrophobicContact CG2-CE1 3.65Å; I151-F175 WeakPolarHBondContact O-CE1 3.44Å; M154-F175 HydrophobicContact CE-CE1 4.04Å; M154-F175 HydrophobicContact CE-CE2 3.94Å; M154-F175 HydrophobicContact CE-CZ 3.43Å; M154-F175 VanDerWaalsContact CE-CZ 3.43Å; L155-F175 HydrophobicContact CB-CE1 3.89Å; L155-F175 HydrophobicContact CB-CE2 4.38Å; L155-F175 HydrophobicContact CB-CZ 3.62Å; L155-F175 HydrophobicContact CD1-CE2 4.01Å; L155-F175 HydrophobicContact CD1-CZ 4.12Å; L155-F175 HydrophobicContact CG-CZ 4.43Å; I158-F175 HydrophobicContact CD1-CE2 4.03Å; I158-F175 HydrophobicContact CD1-CZ 4.44Å; V167-F175 HydrophobicContact CB-CD2 4.3Å; V167-F175 HydrophobicContact CB-CE2 4.46Å; V167-F175 HydrophobicContact CG1-CD2 3.72Å; V167-F175 HydrophobicContact CG1-CE2 3.54Å; L170-F175 HydrophobicContact CB-CB 4.38Å; L170-F175 HydrophobicContact CD1-CB 4.37Å; L170-F175 HydrophobicContact CD1-CD2 4.16Å; T171-F175 WeakPolarHBondContact O-CB 3.5Å; T171-F175 PolarHBondContact O-N 3.13Å; A172-F175 PolarHBondContact O-N 2.76Å; P173-F175 VanDerWaalsContact C-N 3.31Å; P173-F175 PolarHBondContact O-N 3.48Å; F175-Q177 VanDerWaalsContact C-N 3.32Å; F175-Q177 PolarHBondContact O-N 2.85Å; F175-K178 PolarHBondContact O-N 3.43Å; F175-A179 WeakPolarHBondContact O-CB 3.47Å; F175-A179 PolarHBondContact O-N 3.01Å; F175-L184 HydrophobicContact CD2-CD1 3.64Å; F175-L184 HydrophobicContact CE2-CD1 3.48Å; F175-L184 VanDerWaalsContact CE2-CD1 3.48Å; F175-L184 HydrophobicContact CG-CD1 4.49Å; F175-L184 HydrophobicContact CZ-CD1 4.21Å
176	I	91.5	Very high	85.1	Confident	25 Å²	25	52.1 Å²	52.1	13%	0.128	32%	0.316	C	S	.	.	H	α-helix	trans	-54.7	-47.5	174.7	-69.7	162.2	0	0	0	110.9	V101 I102 L105 I151 A172 P173 A179 A180	V101-I176 HydrophobicContact CG1-CD1 3.86Å; V101-I176 HydrophobicContact CG1-CG1 4.08Å; I102-I176 HydrophobicContact CD1-CD1 4.33Å; I102-I176 HydrophobicContact CG1-CD1 3.64Å; L105-I176 HydrophobicContact CD1-CD1 3.93Å; L105-I176 HydrophobicContact CD1-CG1 3.64Å; I151-I176 HydrophobicContact CD1-CG2 4.1Å; I151-I176 HydrophobicContact CG2-CG1 4.1Å; A172-I176 WeakPolarHBondContact O-CG1 2.98Å; A172-I176 PolarHBondContact O-N 2.93Å; P173-I176 PolarHBondContact O-N 2.89Å; I176-A179 PolarHBondContact O-N 3.32Å; I176-A180 WeakPolarHBondContact O-CB 2.95Å; I176-A180 PolarHBondContact O-N 3.11Å
177	Q	90.6	Very high	84	Confident	125 Å²	125	52 Å²	52	58%	0.584	32%	0.319	S	S	*	.	H	α-helix	trans	-64.3	-45.7	178.7	-70.1	-178.6	13.8	0	0	112.4	P173 D174 F175 A179 A180 A181	P173-Q177 WeakPolarHBondContact O-CG 3.49Å; P173-Q177 PolarHBondContact O-N 3.43Å; P173-Q177 VanDerWaalsContact O-N 3.1Å; D174-Q177 PolarHBondContact O-N 3.09Å; F175-Q177 VanDerWaalsContact C-N 3.32Å; F175-Q177 PolarHBondContact O-N 2.85Å; Q177-A179 VanDerWaalsContact C-N 3.32Å; Q177-A179 PolarHBondContact O-N 3.38Å; Q177-A180 PolarHBondContact O-N 3.05Å; Q177-A181 WeakPolarHBondContact O-CB 3.49Å; Q177-A181 PolarHBondContact O-N 3.48Å
178	K	87.9	Confident	82.4	Confident	76 Å²	76	56.3 Å²	56.3	33%	0.33	35%	0.345	S	S	.	.	H	α-helix	trans	-70.1	-30	-178.7	-161.6	-177.2	171.2	-173.3	0	112.2	L170 D174 F175 G182 G183 L184	L170-K178 HydrophobicContact CD1-CD 3.81Å; L170-K178 HydrophobicContact CD2-CD 4.18Å; D174-K178 VanDerWaalsContact O-CB 3.23Å; D174-K178 WeakPolarHBondContact O-CB 3.24Å; D174-K178 PolarHBondContact O-N 3.13Å; F175-K178 PolarHBondContact O-N 3.43Å; K178-G182 PolarHBondContact O-N 3.47Å; K178-G183 WeakPolarHBondContact CE-O 3.17Å; K178-G183 PolarHBondContact O-N 3.14Å; K178-L184 HydrophobicContact CB-CD1 4.22Å; K178-L184 HydrophobicContact CB-CG 4.4Å; K178-L184 HydrophobicContact CD-CD1 4.4Å; K178-L184 HydrophobicContact CD-CD2 3.95Å; K178-L184 HydrophobicContact CD-CG 3.9Å; K178-L184 HydrophobicContact CG-CD1 4.33Å; K178-L184 HydrophobicContact CG-CG 3.96Å
179	A	86	Confident	80.5	Confident	11 Å²	11	63 Å²	63	9%	0.091	38%	0.377	C	S	.	.	H	α-helix	trans	-65.6	-53.8	171.4	0	0	0	0	0	111.4	I151 M154 F175 I176 Q177 A181 G182 L184	I151-A179 HydrophobicContact CG2-CB 4.17Å; M154-A179 HydrophobicContact CE-CB 3.25Å; M154-A179 HydrophobicContact SD-CB 4.36Å; F175-A179 WeakPolarHBondContact O-CB 3.47Å; F175-A179 PolarHBondContact O-N 3.01Å; I176-A179 PolarHBondContact O-N 3.32Å; Q177-A179 VanDerWaalsContact C-N 3.32Å; Q177-A179 PolarHBondContact O-N 3.38Å; A179-A181 VanDerWaalsContact C-N 3.25Å; A179-A181 PolarHBondContact O-N 3.02Å; A179-G182 PolarHBondContact O-N 3.06Å; A179-L184 HydrophobicContact CB-CD1 4.4Å
180	A	84.5	Confident	78.6	Confident	87 Å²	87	57.5 Å²	57.5	72%	0.719	37%	0.372	S	S	*	.	H	α-helix	trans	-59.7	-35.6	177.2	0	0	0	0	0	112.4	I176 Q177 G182	I176-A180 WeakPolarHBondContact O-CB 2.95Å; I176-A180 PolarHBondContact O-N 3.11Å; Q177-A180 PolarHBondContact O-N 3.05Å; A180-G182 VanDerWaalsContact C-N 3.26Å; A180-G182 PolarHBondContact O-N 2.79Å
181	A	83.3	Confident	77	Confident	85 Å²	85	57.1 Å²	57.1	70%	0.702	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-2.2	175.8	0	0	0	0	0	114.8	Q177 A179 G183	Q177-A181 WeakPolarHBondContact O-CB 3.49Å; Q177-A181 PolarHBondContact O-N 3.48Å; A179-A181 VanDerWaalsContact C-N 3.25Å; A179-A181 PolarHBondContact O-N 3.02Å; A181-G183 PolarHBondContact O-N 2.62Å
182	G	77.4	Confident	75.3	Confident	63 Å²	63	60.2 Å²	60.2	65%	0.649	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	18.3	-176.7	0	0	0	0	0	114.5	K178 A179 A180 L184	K178-G182 PolarHBondContact O-N 3.47Å; A179-G182 PolarHBondContact O-N 3.06Å; A180-G182 VanDerWaalsContact C-N 3.26Å; A180-G182 PolarHBondContact O-N 2.79Å; G182-L184 VanDerWaalsContact C-N 3.29Å; G182-L184 PolarHBondContact O-N 3.43Å
183	G	72.4	Confident	73.8	Confident	44 Å²	44	65.9 Å²	65.9	45%	0.454	41%	0.407	S	S	.	.			trans	-85.1	10.6	-174.9	0	0	0	0	0	115.2	K178 A181	K178-G183 WeakPolarHBondContact CE-O 3.17Å; K178-G183 PolarHBondContact O-N 3.14Å; A181-G183 PolarHBondContact O-N 2.62Å
184	L	76.7	Confident	72.1	Confident	14 Å²	14	69.5 Å²	69.5	7%	0.073	43%	0.429	C	S	.	.	S	Bend	trans	-115.8	129.9	179.4	-77.6	162.8	0	0	0	109.8	M154 V167 L170 F175 K178 A179 G182 V186	M154-L184 HydrophobicContact CE-CB 4.2Å; M154-L184 HydrophobicContact CE-CD1 3.51Å; M154-L184 HydrophobicContact CE-CG 4.49Å; V167-L184 HydrophobicContact CG1-CD2 4.18Å; L170-L184 HydrophobicContact CD1-CD2 4.24Å; F175-L184 HydrophobicContact CD2-CD1 3.64Å; F175-L184 HydrophobicContact CE2-CD1 3.48Å; F175-L184 VanDerWaalsContact CE2-CD1 3.48Å; F175-L184 HydrophobicContact CG-CD1 4.49Å; F175-L184 HydrophobicContact CZ-CD1 4.21Å; K178-L184 HydrophobicContact CB-CD1 4.22Å; K178-L184 HydrophobicContact CB-CG 4.4Å; K178-L184 HydrophobicContact CD-CD1 4.4Å; K178-L184 HydrophobicContact CD-CD2 3.95Å; K178-L184 HydrophobicContact CD-CG 3.9Å; K178-L184 HydrophobicContact CG-CD1 4.33Å; K178-L184 HydrophobicContact CG-CG 3.96Å; A179-L184 HydrophobicContact CB-CD1 4.4Å; G182-L184 VanDerWaalsContact C-N 3.29Å; G182-L184 PolarHBondContact O-N 3.43Å; L184-V186 PolarHBondContact O-N 3.48Å
185	T	66.8	Low	70.5	Confident	99 Å²	99	67 Å²	67	61%	0.607	42%	0.42	S	S	*	.			trans	-86.6	100.1	-178.7	-55.3	0	0	0	0	109.4	Q166	Q166-T185 PolarHBondContact NE2-O 3.15Å; Q166-T185 PolarHBondContact OE1-O 2.91Å
186	V	63.7	Low	68.5	Low	42 Å²	42	68.1 Å²	68.1	26%	0.255	43%	0.425	S	S	.	.			trans	-89.2	108.3	177.6	-174.8	0	0	0	0	108.9	M154 R157 L184 V188	M154-V186 HydrophobicContact CG-CG1 4.45Å; M154-V186 HydrophobicContact CG-CG2 3.36Å; M154-V186 HydrophobicContact SD-CG2 3.49Å; M154-V186 WeakPolarHBondContact SD-CG2 2.95Å; R157-V186 HydrophobicContact CB-CG1 4.4Å; R157-V186 HydrophobicContact CG-CG1 3.91Å; L184-V186 PolarHBondContact O-N 3.48Å; V186-V188 HydrophobicContact CG1-CG2 4.22Å; V186-V188 PolarHBondContact O-N 3Å
187	V	59.3	Low	66.8	Low	54 Å²	54	70 Å²	70	33%	0.327	44%	0.438	S	S	.	.			trans	-79.3	107.8	174.5	-177.6	0	0	0	0	108.2	E189	V187-E189 WeakPolarHBondContact CG1-O 3.42Å
188	V	53.7	Low	64.9	Low	89 Å²	89	68.2 Å²	68.2	54%	0.539	43%	0.432	S	S	.	.			trans	-90	-39	176.1	-175.6	0	0	0	0	110.5	V186 G190	V186-V188 HydrophobicContact CG1-CG2 4.22Å; V186-V188 PolarHBondContact O-N 3Å; V188-G190 PolarHBondContact O-N 3.39Å
189	E	49.4	Very low	63.1	Low	187 Å²	187	67.1 Å²	67.1	87%	0.874	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	99.9	174.6	-64.7	178.1	170.8	0	0	109.9	V187	V187-E189 WeakPolarHBondContact CG1-O 3.42Å
190	G	50.1	Low	61.3	Low	69 Å²	69	68 Å²	68	71%	0.711	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	133.6	-1.5	-178.9	0	0	0	0	0	115.2	V188 D192	V188-G190 PolarHBondContact O-N 3.39Å; G190-D192 PolarHBondContact O-N 2.85Å
191	I	57.9	Low	59.6	Low	20 Å²	20	68.3 Å²	68.3	10%	0.103	42%	0.418	C	S	.	.			trans	-75.6	106.7	161.7	-49.4	169.1	0	0	0	106.1	F142 R157 V160 R193	F142-I191 HydrophobicContact CE1-CG2 4.04Å; R157-I191 HydrophobicContact CG-CD1 3.55Å; V160-I191 HydrophobicContact CG2-CG2 4.29Å; I191-R193 HydrophobicContact CB-CG 4.36Å; I191-R193 HydrophobicContact CG2-CG 3.79Å; I191-R193 PolarHBondContact O-N 3.31Å
192	D	59.4	Low	57.7	Low	86 Å²	86	68.2 Å²	68.2	46%	0.46	42%	0.416	S	S	.	.			trans	-77.3	77.6	179.2	-170.2	10.1	0	0	0	109.5	Y133 G190 T194 G195 F196	Y133-D192 WeakPolarHBondContact OH-CB 3.5Å; Y133-D192 PolarHBondContact OH-O 3.41Å; G190-D192 PolarHBondContact O-N 2.85Å; D192-T194 VanDerWaalsContact C-N 3.33Å; D192-G195 PolarHBondContact OD1-N 2.93Å; D192-F196 WeakPolarHBondContact O-CB 3.36Å; D192-F196 PolarHBondContact O-N 2.88Å
193	R	59.9	Low	55.8	Low	120 Å²	120	68.8 Å²	68.8	45%	0.453	41%	0.405	S	S	.	.	H	α-helix	trans	-70.6	-32.2	178.7	-70.2	-178	170.5	178.3	-6.1	111.7	E145 I191 F196 V197	E145-R193 IonicContact OE1-CZ 2.6Å; E145-R193 IonicContact OE1-NH2 3.96Å; E145-R193 PolarHBondContact OE1-NH2 3.49Å; E145-R193 IonicContact OE2-CZ 2.82Å; E145-R193 IonicContact OE2-NE 2.83Å; E145-R193 PolarHBondContact OE2-NE 2.84Å; E145-R193 IonicContact OE2-NH2 3.54Å; E145-R193 PolarHBondContact OE2-NH2 3.23Å; I191-R193 HydrophobicContact CB-CG 4.36Å; I191-R193 HydrophobicContact CG2-CG 3.79Å; I191-R193 PolarHBondContact O-N 3.31Å; R193-F196 PolarHBondContact O-N 3.31Å; R193-V197 WeakPolarHBondContact O-CB 3.22Å; R193-V197 VanDerWaalsContact O-CG2 3.29Å; R193-V197 WeakPolarHBondContact O-CG2 3.43Å; R193-V197 PolarHBondContact O-N 3.49Å
194	T	58.5	Low	54	Low	94 Å²	94	68.3 Å²	68.3	58%	0.577	39%	0.393	S	S	*	.	H	α-helix	trans	-66.6	-51.5	172	-49.8	0	0	0	0	108.9	D192 F196 V197 D198	D192-T194 VanDerWaalsContact C-N 3.33Å; T194-F196 PolarHBondContact O-N 3.4Å; T194-V197 CarbonylContact O-C 3.49Å; T194-V197 WeakPolarHBondContact O-CA 3.39Å; T194-V197 PolarHBondContact O-N 3.16Å; T194-D198 WeakPolarHBondContact O-CB 3.32Å; T194-D198 PolarHBondContact O-N 3.47Å
195	G	57.8	Low	52	Low	18 Å²	18	73 Å²	73	19%	0.186	42%	0.418	C	S	.	.	H	α-helix	trans	-59.6	-27.8	172.5	0	0	0	0	0	114.7	D192 W199	D192-G195 PolarHBondContact OD1-N 2.93Å; G195-W199 WeakPolarHBondContact O-CB 3.44Å; G195-W199 PolarHBondContact O-N 3.25Å
196	F	52.6	Low	50.4	Low	22 Å²	22	75.6 Å²	75.6	10%	0.096	42%	0.423	C	S	.	.	H	α-helix	trans	-70.7	-42.3	169.4	-173.5	-119.6	0	0	0	112.3	Y133 F142 D192 R193 T194 W199 C200	Y133-F196 HydrophobicContact CD1-CD2 4.09Å; Y133-F196 HydrophobicContact CE1-CB 3.81Å; Y133-F196 AromaticContact CE1-CD2 3.91Å; Y133-F196 HydrophobicContact CE1-CD2 3.91Å; Y133-F196 HydrophobicContact CE1-CG 4.31Å; F142-F196 HydrophobicContact CB-CD1 4.3Å; F142-F196 HydrophobicContact CB-CE1 3.72Å; F142-F196 HydrophobicContact CB-CE2 4.3Å; F142-F196 HydrophobicContact CB-CZ 3.72Å; F142-F196 HydrophobicContact CD1-CD1 4.27Å; F142-F196 HydrophobicContact CD1-CG 4.29Å; F142-F196 HydrophobicContact CD2-CD1 4.42Å; F142-F196 AromaticContact CD2-CD2 3.6Å; F142-F196 HydrophobicContact CD2-CD2 3.6Å; F142-F196 HydrophobicContact CD2-CE1 4.23Å; F142-F196 AromaticContact CD2-CE2 3.38Å; F142-F196 HydrophobicContact CD2-CE2 3.38Å; F142-F196 HydrophobicContact CD2-CG 4.13Å; F142-F196 AromaticContact CD2-CZ 3.73Å; F142-F196 HydrophobicContact CD2-CZ 3.73Å; F142-F196 HydrophobicContact CE1-CG 4.36Å; F142-F196 AromaticContact CE2-CD2 3.62Å; F142-F196 HydrophobicContact CE2-CD2 3.62Å; F142-F196 AromaticContact CE2-CE2 3.84Å; F142-F196 HydrophobicContact CE2-CE2 3.84Å; F142-F196 HydrophobicContact CE2-CG 4.21Å; F142-F196 HydrophobicContact CG-CD1 4.1Å; F142-F196 HydrophobicContact CG-CD2 4.1Å; F142-F196 AromaticContact CG-CE1 3.93Å; F142-F196 HydrophobicContact CG-CE1 3.93Å; F142-F196 AromaticContact CG-CE2 3.94Å; F142-F196 HydrophobicContact CG-CE2 3.94Å; F142-F196 HydrophobicContact CG-CG 4.18Å; F142-F196 AromaticContact CG-CZ 3.86Å; F142-F196 HydrophobicContact CG-CZ 3.86Å; F142-F196 HydrophobicContact CZ-CD2 4.13Å; F142-F196 HydrophobicContact CZ-CG 4.33Å; D192-F196 WeakPolarHBondContact O-CB 3.36Å; D192-F196 PolarHBondContact O-N 2.88Å; R193-F196 PolarHBondContact O-N 3.31Å; T194-F196 PolarHBondContact O-N 3.4Å; F196-W199 AromaticContact CD2-CE3 3.95Å; F196-W199 HydrophobicContact CD2-CE3 3.95Å; F196-W199 HydrophobicContact CD2-CZ3 4.3Å; F196-W199 AromaticContact CE2-CE3 3.81Å; F196-W199 HydrophobicContact CE2-CE3 3.81Å; F196-W199 AromaticContact CE2-CZ3 3.69Å; F196-W199 HydrophobicContact CE2-CZ3 3.69Å; F196-W199 HydrophobicContact CZ-CZ3 4.46Å; F196-C200 WeakPolarHBondContact O-CB 3.32Å; F196-C200 PolarHBondContact O-N 3.39Å; F196-C200 PolarHBondContact O-SG 2.98Å
197	V	54.5	Low	48.9	Very low	66 Å²	66	79.7 Å²	79.7	40%	0.4	43%	0.434	S	S	.	.	H	α-helix	trans	-69.4	-48.7	177.4	168.7	0	0	0	0	110.3	R193 T194 W199 C200 E201	R193-V197 WeakPolarHBondContact O-CB 3.22Å; R193-V197 VanDerWaalsContact O-CG2 3.29Å; R193-V197 WeakPolarHBondContact O-CG2 3.43Å; R193-V197 PolarHBondContact O-N 3.49Å; T194-V197 CarbonylContact O-C 3.49Å; T194-V197 WeakPolarHBondContact O-CA 3.39Å; T194-V197 PolarHBondContact O-N 3.16Å; V197-W199 VanDerWaalsContact C-N 3.26Å; V197-W199 PolarHBondContact O-N 2.89Å; V197-C200 CarbonylContact O-C 3.45Å; V197-C200 WeakPolarHBondContact O-CA 2.91Å; V197-C200 WeakPolarHBondContact O-CB 3.49Å; V197-C200 PolarHBondContact O-N 3.47Å; V197-E201 HydrophobicContact CG1-CG 4.17Å; V197-E201 WeakPolarHBondContact CG1-OE1 3.44Å; V197-E201 WeakPolarHBondContact O-CB 3.26Å; V197-E201 WeakPolarHBondContact O-CG 3.35Å; V197-E201 PolarHBondContact O-N 2.78Å
198	D	51.2	Low	47.5	Very low	86 Å²	86	81.7 Å²	81.7	46%	0.46	45%	0.448	S	S	.	.	H	α-helix	trans	-57.5	-38.6	173.4	-57.7	-7.6	0	0	0	111.3	T194 A202	T194-D198 WeakPolarHBondContact O-CB 3.32Å; T194-D198 PolarHBondContact O-N 3.47Å; D198-A202 WeakPolarHBondContact O-CB 3.49Å; D198-A202 PolarHBondContact O-N 3.02Å
199	W	50	Low	46.3	Very low	54 Å²	54	85.7 Å²	85.7	21%	0.205	46%	0.461	C	S	.	.	H	α-helix	trans	-71.6	-37.1	173.6	173.1	91.2	0	0	0	112	G195 F196 V197 N203 H244 N245	G195-W199 WeakPolarHBondContact O-CB 3.44Å; G195-W199 PolarHBondContact O-N 3.25Å; F196-W199 AromaticContact CD2-CE3 3.95Å; F196-W199 HydrophobicContact CD2-CE3 3.95Å; F196-W199 HydrophobicContact CD2-CZ3 4.3Å; F196-W199 AromaticContact CE2-CE3 3.81Å; F196-W199 HydrophobicContact CE2-CE3 3.81Å; F196-W199 AromaticContact CE2-CZ3 3.69Å; F196-W199 HydrophobicContact CE2-CZ3 3.69Å; F196-W199 HydrophobicContact CZ-CZ3 4.46Å; V197-W199 VanDerWaalsContact C-N 3.26Å; V197-W199 PolarHBondContact O-N 2.89Å; W199-N203 VanDerWaalsContact O-CB 3.3Å; W199-N203 WeakPolarHBondContact O-CB 3.23Å; W199-N203 PolarHBondContact O-N 2.72Å; W199-N203 PolarHBondContact O-ND2 3.4Å; W199-H244 WeakPolarHBondContact CH2-O 3.48Å; W199-H244 WeakPolarHBondContact CZ2-O 3.32Å; W199-N245 WeakPolarHBondContact CH2-OD1 3.11Å
200	C	47.8	Very low	45.3	Very low	30 Å²	30	82.5 Å²	82.5	20%	0.203	45%	0.454	C	S	.	.	H	α-helix	trans	-60.9	-67.3	170	-79.4	0	0	0	0	108.7	F196 V197 A202 N203 T204	F196-C200 WeakPolarHBondContact O-CB 3.32Å; F196-C200 PolarHBondContact O-N 3.39Å; F196-C200 PolarHBondContact O-SG 2.98Å; V197-C200 CarbonylContact O-C 3.45Å; V197-C200 WeakPolarHBondContact O-CA 2.91Å; V197-C200 WeakPolarHBondContact O-CB 3.49Å; V197-C200 PolarHBondContact O-N 3.47Å; C200-A202 PolarHBondContact O-N 2.79Å; C200-N203 CarbonylContact O-C 3.57Å; C200-N203 VanDerWaalsContact O-CA 3.3Å; C200-N203 WeakPolarHBondContact O-CA 3.36Å; C200-N203 PolarHBondContact O-N 3Å; C200-T204 VanDerWaalsContact C-OG1 3.27Å; C200-T204 HydrophobicContact CB-CG2 4.11Å; C200-T204 WeakPolarHBondContact O-CA 3.21Å; C200-T204 VanDerWaalsContact O-CB 3.28Å; C200-T204 WeakPolarHBondContact O-CB 3.34Å; C200-T204 WeakPolarHBondContact O-CG2 3.19Å; C200-T204 PolarHBondContact O-N 3.26Å; C200-T204 PolarHBondContact O-OG1 2.87Å
201	E	48.9	Very low	44.3	Very low	93 Å²	93	86.1 Å²	86.1	44%	0.435	45%	0.452	S	S	.	.	H	α-helix	trans	-44.4	-54.3	179.3	-69.2	174.4	-178.9	0	0	112.1	V197 N203 T204 D205	V197-E201 HydrophobicContact CG1-CG 4.17Å; V197-E201 WeakPolarHBondContact CG1-OE1 3.44Å; V197-E201 WeakPolarHBondContact O-CB 3.26Å; V197-E201 WeakPolarHBondContact O-CG 3.35Å; V197-E201 PolarHBondContact O-N 2.78Å; E201-N203 PolarHBondContact O-N 3.38Å; E201-T204 VanDerWaalsContact CA-OG1 3.24Å; E201-T204 WeakPolarHBondContact CA-OG1 3.35Å; E201-T204 PolarHBondContact N-OG1 3.17Å; E201-T204 PolarHBondContact O-N 3.43Å; E201-D205 WeakPolarHBondContact CA-OD1 3.44Å; E201-D205 WeakPolarHBondContact O-CB 3.49Å; E201-D205 PolarHBondContact O-N 2.96Å
202	A	43.3	Very low	42.7	Very low	82 Å²	82	93.2 Å²	93.2	68%	0.678	49%	0.49	S	S	*	.	H	α-helix	trans	-65.8	-13	178.1	0	0	0	0	0	115.3	D198 C200	D198-A202 WeakPolarHBondContact O-CB 3.49Å; D198-A202 PolarHBondContact O-N 3.02Å; C200-A202 PolarHBondContact O-N 2.79Å
203	N	39	Very low	41.3	Very low	75 Å²	75	93.8 Å²	93.8	40%	0.401	50%	0.501	S	S	.	.	H	α-helix	trans	-115	0.2	171	-65.2	-94.2	0	0	0	113.5	W199 C200 E201 W207 N245	W199-N203 VanDerWaalsContact O-CB 3.3Å; W199-N203 WeakPolarHBondContact O-CB 3.23Å; W199-N203 PolarHBondContact O-N 2.72Å; W199-N203 PolarHBondContact O-ND2 3.4Å; C200-N203 CarbonylContact O-C 3.57Å; C200-N203 VanDerWaalsContact O-CA 3.3Å; C200-N203 WeakPolarHBondContact O-CA 3.36Å; C200-N203 PolarHBondContact O-N 3Å; E201-N203 PolarHBondContact O-N 3.38Å; N203-W207 VanDerWaalsContact O-CE2 3.24Å; N203-W207 WeakPolarHBondContact O-CZ2 3.49Å; N203-W207 PolarHBondContact O-NE1 2.88Å; N203-N245 WeakPolarHBondContact CB-ND2 3.44Å
204	T	34.6	Very low	39.9	Very low	34 Å²	34	93.8 Å²	93.8	21%	0.209	51%	0.514	C	S	.	.	H	α-helix	trans	-118.8	-28.7	-175.5	64.6	0	0	0	0	114.3	C200 E201 H206 W207	C200-T204 VanDerWaalsContact C-OG1 3.27Å; C200-T204 HydrophobicContact CB-CG2 4.11Å; C200-T204 WeakPolarHBondContact O-CA 3.21Å; C200-T204 VanDerWaalsContact O-CB 3.28Å; C200-T204 WeakPolarHBondContact O-CB 3.34Å; C200-T204 WeakPolarHBondContact O-CG2 3.19Å; C200-T204 PolarHBondContact O-N 3.26Å; C200-T204 PolarHBondContact O-OG1 2.87Å; E201-T204 VanDerWaalsContact CA-OG1 3.24Å; E201-T204 WeakPolarHBondContact CA-OG1 3.35Å; E201-T204 PolarHBondContact N-OG1 3.17Å; E201-T204 PolarHBondContact O-N 3.43Å; T204-H206 PolarHBondContact O-N 2.63Å; T204-W207 HydrophobicContact CG2-CD2 4.13Å; T204-W207 HydrophobicContact CG2-CE3 3.93Å; T204-W207 HydrophobicContact CG2-CH2 3.23Å; T204-W207 HydrophobicContact CG2-CZ2 3.42Å; T204-W207 VanDerWaalsContact CG2-CZ2 3.42Å; T204-W207 HydrophobicContact CG2-CZ3 3.5Å; T204-W207 VanDerWaalsContact CG2-CZ3 3.5Å; T204-W207 VanDerWaalsContact O-CB 3.27Å; T204-W207 WeakPolarHBondContact O-CB 3.38Å; T204-W207 PolarHBondContact O-N 3.44Å
205	D	33.8	Very low	38.6	Very low	113 Å²	113	93 Å²	93	60%	0.604	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	6.7	-171.9	-67.5	-1.1	0	0	0	113.8	E201	E201-D205 WeakPolarHBondContact CA-OD1 3.44Å; E201-D205 WeakPolarHBondContact O-CB 3.49Å; E201-D205 PolarHBondContact O-N 2.96Å
206	H	32.8	Very low	37.5	Very low	153 Å²	153	96.1 Å²	96.1	71%	0.708	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	12.9	175.2	-58.6	1.2	0	0	0	111.4	T204	T204-H206 PolarHBondContact O-N 2.63Å
207	W	31.6	Very low	36.6	Very low	129 Å²	129	98.7 Å²	98.7	49%	0.489	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-79.7	132.5	-179.6	-69.1	-0.9	0	0	0	111.4	N203 T204 N245	N203-W207 VanDerWaalsContact O-CE2 3.24Å; N203-W207 WeakPolarHBondContact O-CZ2 3.49Å; N203-W207 PolarHBondContact O-NE1 2.88Å; T204-W207 HydrophobicContact CG2-CD2 4.13Å; T204-W207 HydrophobicContact CG2-CE3 3.93Å; T204-W207 HydrophobicContact CG2-CH2 3.23Å; T204-W207 HydrophobicContact CG2-CZ2 3.42Å; T204-W207 VanDerWaalsContact CG2-CZ2 3.42Å; T204-W207 HydrophobicContact CG2-CZ3 3.5Å; T204-W207 VanDerWaalsContact CG2-CZ3 3.5Å; T204-W207 VanDerWaalsContact O-CB 3.27Å; T204-W207 WeakPolarHBondContact O-CB 3.38Å; T204-W207 PolarHBondContact O-N 3.44Å; W207-N245 HydrophobicContact CH2-CB 4.44Å; W207-N245 HydrophobicContact CZ2-CB 3.91Å
208	P	29.9	Very low	35.7	Very low	95 Å²	95	100 Å²	100	62%	0.617	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-69.5	143.1	170.9	29.8	-33.3	0	0	0	110.5	V210	P208-V210 PolarHBondContact O-N 2.89Å
209	E	28.8	Very low	35.1	Very low	173 Å²	173	101.2 Å²	101.2	81%	0.808	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-62.1	132.9	172.2	-66.8	-175.3	158.9	0	0	110.5	H211	E209-H211 PolarHBondContact O-N 2.84Å
210	V	29.2	Very low	34.5	Very low	121 Å²	121	99.6 Å²	99.6	73%	0.733	55%	0.549	S	S	*	.			trans	-83.1	107	-175.7	-179.6	0	0	0	0	109.7	P208	P208-V210 PolarHBondContact O-N 2.89Å
211	H	27.9	Very low	34	Very low	144 Å²	144	101.9 Å²	101.9	67%	0.667	56%	0.558	S	S	*	*			trans	-87.7	151.1	164.8	-71.7	-67.7	0	0	0	111.6	E209 S213	E209-H211 PolarHBondContact O-N 2.84Å; H211-S213 PolarHBondContact O-N 3.18Å
212	D	26.1	Very low	33.5	Very low	169 Å²	169	106.2 Å²	106.2	90%	0.904	57%	0.57	S	S	*	*	S	Bend	trans	-61.1	-8.8	-169.7	-65.8	-52	0	0	0	116.2	V214	D212-V214 VanDerWaalsContact C-N 3.34Å; D212-V214 PolarHBondContact O-N 3.01Å
213	S	29.9	Very low	33.3	Very low	98 Å²	98	108.7 Å²	108.7	69%	0.685	57%	0.568	S	S	*	*			trans	-84	66.5	179.5	64.7	0	0	0	0	112.9	H211 V215	H211-S213 PolarHBondContact O-N 3.18Å; S213-V215 PolarHBondContact O-N 2.96Å; S213-V215 VanDerWaalsContact O-N 3.1Å
214	V	30.4	Very low	33.1	Very low	120 Å²	120	111 Å²	111	73%	0.727	58%	0.58	S	S	*	*			trans	-66.2	109	177.3	-177.3	0	0	0	0	111	D212	D212-V214 VanDerWaalsContact C-N 3.34Å; D212-V214 PolarHBondContact O-N 3.01Å
215	V	30.9	Very low	32.9	Very low	78 Å²	78	112.4 Å²	112.4	47%	0.473	60%	0.6	S	S	.	*			trans	-78.6	124.8	173.6	179	0	0	0	0	109.9	S213 L217 K219	S213-V215 PolarHBondContact O-N 2.96Å; S213-V215 VanDerWaalsContact O-N 3.1Å; V215-L217 PolarHBondContact O-N 2.92Å; V215-K219 HydrophobicContact CG1-CB 4.11Å; V215-K219 HydrophobicContact CG1-CD 3.93Å; V215-K219 HydrophobicContact CG1-CG 4.18Å
216	P	33.7	Very low	33	Very low	84 Å²	84	111 Å²	111	55%	0.545	60%	0.598	S	S	.	*			trans	-60.6	132.4	179.5	-25.5	35	0	0	0	112.6	P218 K219 A220	P216-P218 VanDerWaalsContact C-N 3.28Å; P216-P218 VanDerWaalsContact O-N 3.09Å; P216-K219 WeakPolarHBondContact O-CB 2.97Å; P216-K219 PolarHBondContact O-N 3.1Å; P216-A220 PolarHBondContact O-N 3.01Å
217	L	34.4	Very low	33.2	Very low	76 Å²	76	111.1 Å²	111.1	40%	0.398	60%	0.599	S	S	.	*	H	α-helix	trans	-45.8	-39.3	178.7	-176.9	66.8	0	0	0	114.8	V215 K219 A220 M221 F239	V215-L217 PolarHBondContact O-N 2.92Å; L217-K219 PolarHBondContact O-N 2.91Å; L217-A220 PolarHBondContact O-N 3.27Å; L217-M221 HydrophobicContact CD1-CG 4.11Å; L217-M221 HydrophobicContact CG-CG 4.44Å; L217-M221 PolarHBondContact O-N 3.21Å; L217-F239 HydrophobicContact CD2-CZ 4.35Å
218	P	35.9	Very low	33.6	Very low	92 Å²	92	113.8 Å²	113.8	60%	0.597	61%	0.609	S	S	*	*	H	α-helix	trans	-64.8	-18.7	176.5	-23.2	35.5	0	0	0	115.2	P216 R222	P216-P218 VanDerWaalsContact C-N 3.28Å; P216-P218 VanDerWaalsContact O-N 3.09Å; P218-R222 WeakPolarHBondContact O-CB 3.25Å
219	K	38.3	Very low	33.9	Very low	113 Å²	113	116.2 Å²	116.2	49%	0.491	61%	0.61	S	S	.	*	H	α-helix	trans	-82	-54.1	174.9	-179.2	176.4	165.3	-163.6	0	110.1	V215 P216 L217 M221 R222 E223	V215-K219 HydrophobicContact CG1-CB 4.11Å; V215-K219 HydrophobicContact CG1-CD 3.93Å; V215-K219 HydrophobicContact CG1-CG 4.18Å; P216-K219 WeakPolarHBondContact O-CB 2.97Å; P216-K219 PolarHBondContact O-N 3.1Å; L217-K219 PolarHBondContact O-N 2.91Å; K219-M221 VanDerWaalsContact C-N 3.3Å; K219-M221 PolarHBondContact O-N 3.42Å; K219-R222 WeakPolarHBondContact O-CB 3.44Å; K219-R222 PolarHBondContact O-N 3.5Å; K219-E223 WeakPolarHBondContact CE-OE1 3.33Å; K219-E223 VanDerWaalsContact CG-OE1 3.25Å; K219-E223 WeakPolarHBondContact CG-OE1 3.43Å; K219-E223 PolarHBondContact O-N 2.84Å; K219-E223 VanDerWaalsContact O-N 3.1Å
220	A	36.4	Very low	34.2	Very low	19 Å²	19	112.8 Å²	112.8	16%	0.157	60%	0.597	C	S	.	*	H	α-helix	trans	-55.4	-42	177.2	0	0	0	0	0	112.7	P216 L217 R222 E223 L224	P216-A220 PolarHBondContact O-N 3.01Å; L217-A220 PolarHBondContact O-N 3.27Å; A220-R222 PolarHBondContact O-N 3.38Å; A220-E223 PolarHBondContact O-N 2.96Å; A220-L224 WeakPolarHBondContact O-CG 3.47Å; A220-L224 PolarHBondContact O-N 2.92Å; A220-L224 VanDerWaalsContact O-N 3.17Å
221	M	37.4	Very low	34.6	Very low	78 Å²	78	113.4 Å²	113.4	38%	0.384	59%	0.587	S	S	.	*	H	α-helix	trans	-71.7	-25.7	177.6	-73.6	-148.3	73.5	0	0	114.4	L217 K219 G225 C226	L217-M221 HydrophobicContact CD1-CG 4.11Å; L217-M221 HydrophobicContact CG-CG 4.44Å; L217-M221 PolarHBondContact O-N 3.21Å; K219-M221 VanDerWaalsContact C-N 3.3Å; K219-M221 PolarHBondContact O-N 3.42Å; M221-G225 PolarHBondContact O-N 3.41Å; M221-C226 HydrophobicContact CE-CB 4.21Å
222	R	39.8	Very low	34.9	Very low	184 Å²	184	112.3 Å²	112.3	69%	0.694	58%	0.582	S	S	*	*	H	α-helix	trans	-73.3	-33	173.7	-169.8	-174.8	-60.6	-172.4	0.3	111.3	P218 K219 A220 L224	P218-R222 WeakPolarHBondContact O-CB 3.25Å; K219-R222 WeakPolarHBondContact O-CB 3.44Å; K219-R222 PolarHBondContact O-N 3.5Å; A220-R222 PolarHBondContact O-N 3.38Å; R222-L224 VanDerWaalsContact C-N 3.33Å
223	E	39.4	Very low	35.2	Very low	134 Å²	134	106.9 Å²	106.9	63%	0.626	56%	0.558	S	S	*	*	H	α-helix	trans	-73.3	-24.3	175.8	-69.5	160.1	-175.5	0	0	112	K219 A220	K219-E223 WeakPolarHBondContact CE-OE1 3.33Å; K219-E223 VanDerWaalsContact CG-OE1 3.25Å; K219-E223 WeakPolarHBondContact CG-OE1 3.43Å; K219-E223 PolarHBondContact O-N 2.84Å; K219-E223 VanDerWaalsContact O-N 3.1Å; A220-E223 PolarHBondContact O-N 2.96Å
224	L	33.4	Very low	35.3	Very low	125 Å²	125	103.3 Å²	103.3	65%	0.654	54%	0.537	S	S	*	.	H	α-helix	trans	-92.3	-13.8	177.8	-70.7	168.4	0	0	0	115.8	A220 R222	A220-L224 WeakPolarHBondContact O-CG 3.47Å; A220-L224 PolarHBondContact O-N 2.92Å; A220-L224 VanDerWaalsContact O-N 3.17Å; R222-L224 VanDerWaalsContact C-N 3.33Å
225	G	31.7	Very low	35.5	Very low	62 Å²	62	101 Å²	101	64%	0.639	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	17.5	165.4	0	0	0	0	0	118.6	M221	M221-G225 PolarHBondContact O-N 3.41Å
226	C	34.7	Very low	35.6	Very low	83 Å²	83	99.1 Å²	99.1	56%	0.561	51%	0.511	S	S	*	.			trans	-72.5	149.2	-179	-59.9	0	0	0	0	114.4	M221	M221-C226 HydrophobicContact CE-CB 4.21Å
227	E	38.2	Very low	35.4	Very low	157 Å²	157	102 Å²	102	73%	0.734	52%	0.517	S	S	*	.			trans	-91.5	153.3	178.1	-75	-152	158.5	0	0	114.5	K229 D230	E227-K229 VanDerWaalsContact C-N 3.28Å; E227-K229 PolarHBondContact O-N 3.44Å; E227-D230 PolarHBondContact O-N 3.29Å
228	R	39.6	Very low	35.4	Very low	184 Å²	184	100.9 Å²	100.9	69%	0.694	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-5.7	-166	-117.8	-174.2	-166.9	-165.7	1.7	117.4	Y231	R228-Y231 HydrophobicContact CG-CD2 4.46Å; R228-Y231 WeakPolarHBondContact O-CB 3.48Å
229	K	35.4	Very low	35.3	Very low	147 Å²	147	98.5 Å²	98.5	64%	0.639	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-21.8	171.3	-88.5	-159.6	170.3	-159.9	0	113	E227 Y231	E227-K229 VanDerWaalsContact C-N 3.28Å; E227-K229 PolarHBondContact O-N 3.44Å; K229-Y231 PolarHBondContact O-N 3.26Å
230	D	36.3	Very low	34.9	Very low	101 Å²	101	98.5 Å²	98.5	54%	0.54	50%	0.498	S	S	.	.	H	α-helix	trans	-77.1	9.4	164.9	-51.9	-50	0	0	0	111.2	E227 S233 G234	E227-D230 PolarHBondContact O-N 3.29Å; D230-S233 WeakPolarHBondContact CA-OG 3.13Å; D230-G234 WeakPolarHBondContact O-CA 3.48Å; D230-G234 PolarHBondContact O-N 3.48Å
231	Y	36.4	Very low	34.7	Very low	133 Å²	133	99.5 Å²	99.5	52%	0.522	50%	0.502	S	S	.	.	H	α-helix	trans	-82.4	-33	178.7	-156	-90.1	0	0	0	112.3	R228 K229 M235	R228-Y231 HydrophobicContact CG-CD2 4.46Å; R228-Y231 WeakPolarHBondContact O-CB 3.48Å; K229-Y231 PolarHBondContact O-N 3.26Å; Y231-M235 HydrophobicContact CD1-SD 4.37Å; Y231-M235 HydrophobicContact CE1-SD 4.08Å; Y231-M235 WeakPolarHBondContact O-CB 3.47Å; Y231-M235 WeakPolarHBondContact O-CG 3.28Å; Y231-M235 PolarHBondContact O-N 2.98Å
232	E	34.6	Very low	34.4	Very low	121 Å²	121	97.8 Å²	97.8	57%	0.565	49%	0.494	S	S	*	.	H	α-helix	trans	-88.1	-42.9	177.5	-68.9	179.2	168.5	0	0	111.6	R39 A236	R39-E232 IonicContact CZ-OE1 2.65Å; R39-E232 IonicContact NH1-OE1 2.78Å; R39-E232 PolarHBondContact NH1-OE1 3.37Å; R39-E232 IonicContact NH2-OE1 3.61Å; R39-E232 PolarHBondContact NH2-OE1 3.47Å; E232-A236 WeakPolarHBondContact O-CB 3.35Å; E232-A236 PolarHBondContact O-N 2.83Å
233	S	32.3	Very low	34.2	Very low	56 Å²	56	90.4 Å²	90.4	39%	0.392	47%	0.468	S	S	.	.	H	α-helix	trans	-68.9	-41.2	170.2	48.4	0	0	0	0	111.7	D230 A236 E237	D230-S233 WeakPolarHBondContact CA-OG 3.13Å; S233-A236 CarbonylContact O-C 3.49Å; S233-A236 WeakPolarHBondContact O-CB 3.36Å; S233-A236 PolarHBondContact O-N 3.41Å; S233-E237 WeakPolarHBondContact O-CB 3.36Å; S233-E237 PolarHBondContact O-N 3.07Å
234	G	31.8	Very low	33.9	Very low	23 Å²	23	86.1 Å²	86.1	24%	0.237	45%	0.448	C	S	.	.	H	α-helix	trans	-76.9	-20.8	174.5	0	0	0	0	0	113.7	D230 A238	D230-G234 WeakPolarHBondContact O-CA 3.48Å; D230-G234 PolarHBondContact O-N 3.48Å; G234-A238 WeakPolarHBondContact O-CA 3.27Å; G234-A238 WeakPolarHBondContact O-CB 3.44Å; G234-A238 PolarHBondContact O-N 3.26Å
235	M	34.9	Very low	33.7	Very low	70 Å²	70	81.2 Å²	81.2	35%	0.345	42%	0.423	S	S	.	.	H	α-helix	trans	-70.1	-43.7	159.4	-85.4	-166.3	71.1	0	0	110.4	Y231 E237 F239	Y231-M235 HydrophobicContact CD1-SD 4.37Å; Y231-M235 HydrophobicContact CE1-SD 4.08Å; Y231-M235 WeakPolarHBondContact O-CB 3.47Å; Y231-M235 WeakPolarHBondContact O-CG 3.28Å; Y231-M235 PolarHBondContact O-N 2.98Å; M235-E237 VanDerWaalsContact C-N 3.3Å; M235-E237 PolarHBondContact O-N 3.5Å; M235-F239 HydrophobicContact CB-CD2 4.16Å; M235-F239 HydrophobicContact CE-CD2 3.97Å; M235-F239 HydrophobicContact CE-CE1 4.45Å; M235-F239 HydrophobicContact CE-CE2 3.7Å; M235-F239 HydrophobicContact CE-CG 4.46Å; M235-F239 HydrophobicContact CE-CZ 3.96Å; M235-F239 HydrophobicContact CG-CD2 4.04Å; M235-F239 HydrophobicContact CG-CE2 3.95Å; M235-F239 VanDerWaalsContact O-CA 3.32Å; M235-F239 WeakPolarHBondContact O-CA 3.27Å; M235-F239 WeakPolarHBondContact O-CB 3.49Å; M235-F239 WeakPolarHBondContact O-CD2 2.94Å; M235-F239 PolarHBondContact O-N 3.31Å; M235-F239 HydrophobicContact SD-CE2 4.49Å
236	A	32.1	Very low	33.7	Very low	39 Å²	39	81 Å²	81	32%	0.322	41%	0.414	S	S	.	.	H	α-helix	trans	-62.4	-33.4	176.1	0	0	0	0	0	113.3	E232 S233 Y240	E232-A236 WeakPolarHBondContact O-CB 3.35Å; E232-A236 PolarHBondContact O-N 2.83Å; S233-A236 CarbonylContact O-C 3.49Å; S233-A236 WeakPolarHBondContact O-CB 3.36Å; S233-A236 PolarHBondContact O-N 3.41Å; A236-Y240 WeakPolarHBondContact O-CA 3.25Å; A236-Y240 VanDerWaalsContact O-CB 3.28Å; A236-Y240 WeakPolarHBondContact O-CB 2.93Å; A236-Y240 PolarHBondContact O-N 3.2Å
237	E	31.3	Very low	33.4	Very low	144 Å²	144	81.5 Å²	81.5	67%	0.673	42%	0.417	S	S	*	.	H	α-helix	trans	-91.8	-33	179.6	-73.9	-174.4	142.3	0	0	114.2	S233 M235 P241	S233-E237 WeakPolarHBondContact O-CB 3.36Å; S233-E237 PolarHBondContact O-N 3.07Å; M235-E237 VanDerWaalsContact C-N 3.3Å; M235-E237 PolarHBondContact O-N 3.5Å; E237-P241 WeakPolarHBondContact O-CD 3.38Å
238	A	33.2	Very low	33.2	Very low	53 Å²	53	78.5 Å²	78.5	44%	0.438	41%	0.409	S	S	.	.	H	α-helix	trans	-84.8	-19.6	173.1	0	0	0	0	0	112.7	G234 P241 I242	G234-A238 WeakPolarHBondContact O-CA 3.27Å; G234-A238 WeakPolarHBondContact O-CB 3.44Å; G234-A238 PolarHBondContact O-N 3.26Å; A238-P241 WeakPolarHBondContact O-CD 3.14Å; A238-I242 WeakPolarHBondContact O-CD1 3.47Å
239	F	33	Very low	32.6	Very low	43 Å²	43	75.2 Å²	75.2	19%	0.189	40%	0.402	C	S	.	.	S	Bend	trans	-97.7	-5.8	165.3	-65.9	-111.1	0	0	0	113.3	L81 L217 M235 P241 I242 M243	L81-F239 HydrophobicContact CD2-CD1 3.82Å; L81-F239 HydrophobicContact CD2-CE1 3.62Å; L217-F239 HydrophobicContact CD2-CZ 4.35Å; M235-F239 HydrophobicContact CB-CD2 4.16Å; M235-F239 HydrophobicContact CE-CD2 3.97Å; M235-F239 HydrophobicContact CE-CE1 4.45Å; M235-F239 HydrophobicContact CE-CE2 3.7Å; M235-F239 HydrophobicContact CE-CG 4.46Å; M235-F239 HydrophobicContact CE-CZ 3.96Å; M235-F239 HydrophobicContact CG-CD2 4.04Å; M235-F239 HydrophobicContact CG-CE2 3.95Å; M235-F239 VanDerWaalsContact O-CA 3.32Å; M235-F239 WeakPolarHBondContact O-CA 3.27Å; M235-F239 WeakPolarHBondContact O-CB 3.49Å; M235-F239 WeakPolarHBondContact O-CD2 2.94Å; M235-F239 PolarHBondContact O-N 3.31Å; M235-F239 HydrophobicContact SD-CE2 4.49Å; F239-P241 VanDerWaalsContact C-CD 3.42Å; F239-I242 HydrophobicContact CB-CB 4.14Å; F239-I242 HydrophobicContact CB-CD1 4.44Å; F239-I242 HydrophobicContact CD1-CB 3.75Å; F239-I242 HydrophobicContact CD1-CD1 3.55Å; F239-I242 HydrophobicContact CD1-CG1 4.22Å; F239-I242 HydrophobicContact CD1-CG2 3.72Å; F239-I242 HydrophobicContact CD2-CD1 4.07Å; F239-I242 HydrophobicContact CE1-CB 4.48Å; F239-I242 HydrophobicContact CE1-CD1 3.66Å; F239-I242 HydrophobicContact CE1-CG2 4.14Å; F239-I242 HydrophobicContact CE2-CD1 4.16Å; F239-I242 HydrophobicContact CG-CB 4.17Å; F239-I242 HydrophobicContact CG-CD1 3.77Å; F239-I242 HydrophobicContact CG-CG1 4.45Å; F239-I242 HydrophobicContact CZ-CD1 3.97Å; F239-I242 CarbonylContact O-C 3.18Å; F239-I242 PolarHBondContact O-N 3.31Å; F239-I242 VanDerWaalsContact O-N 3.11Å; F239-M243 HydrophobicContact CB-CG 4.14Å; F239-M243 WeakPolarHBondContact O-CA 3.01Å; F239-M243 WeakPolarHBondContact O-CB 3.01Å; F239-M243 WeakPolarHBondContact O-CG 3.34Å; F239-M243 PolarHBondContact O-N 3.34Å
240	Y	31.7	Very low	32.1	Very low	113 Å²	113	74.2 Å²	74.2	44%	0.443	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-41	165	-155.3	-92.4	0	0	0	112.1	P123 A236 M243 H244	P123-Y240 HydrophobicContact CG-CE2 3.78Å; P123-Y240 VanDerWaalsContact CG-OH 3.31Å; P123-Y240 WeakPolarHBondContact CG-OH 2.98Å; A236-Y240 WeakPolarHBondContact O-CA 3.25Å; A236-Y240 VanDerWaalsContact O-CB 3.28Å; A236-Y240 WeakPolarHBondContact O-CB 2.93Å; A236-Y240 PolarHBondContact O-N 3.2Å; Y240-M243 CarbonylContact O-C 3.52Å; Y240-H244 AromaticContact CD1-CD2 3.94Å; Y240-H244 AromaticContact CE1-CD2 3.69Å; Y240-H244 AromaticContact CE1-NE2 3.92Å; Y240-H244 AromaticContact CZ-NE2 3.92Å; Y240-H244 PolarHBondContact O-CD2 3.42Å; Y240-H244 VanDerWaalsContact O-CD2 3.25Å; Y240-H244 PolarHBondContact O-N 2.92Å
241	P	31.2	Very low	31.6	Very low	40 Å²	40	75 Å²	75	26%	0.26	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-38.3	171.6	-14.5	29.2	0	0	0	113.4	E237 A238 F239 M243 H244 N245 L250	E237-P241 WeakPolarHBondContact O-CD 3.38Å; A238-P241 WeakPolarHBondContact O-CD 3.14Å; F239-P241 VanDerWaalsContact C-CD 3.42Å; P241-M243 VanDerWaalsContact C-N 3.26Å; P241-M243 PolarHBondContact O-N 2.96Å; P241-H244 CarbonylContact O-C 3.49Å; P241-H244 PolarHBondContact O-N 3.17Å; P241-N245 PolarHBondContact O-N 3.29Å; P241-L250 HydrophobicContact CB-CD2 4.45Å; P241-L250 HydrophobicContact CB-CG 4.42Å; P241-L250 HydrophobicContact CG-CD1 3.57Å; P241-L250 HydrophobicContact CG-CD2 3.84Å; P241-L250 HydrophobicContact CG-CG 3.56Å
242	I	31.8	Very low	31.6	Very low	41 Å²	41	74.1 Å²	74.1	21%	0.21	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-26.7	179.6	-58.3	168.7	0	0	0	111.4	L81 A238 F239 N245	L81-I242 HydrophobicContact CD2-CG2 4.3Å; A238-I242 WeakPolarHBondContact O-CD1 3.47Å; F239-I242 HydrophobicContact CB-CB 4.14Å; F239-I242 HydrophobicContact CB-CD1 4.44Å; F239-I242 HydrophobicContact CD1-CB 3.75Å; F239-I242 HydrophobicContact CD1-CD1 3.55Å; F239-I242 HydrophobicContact CD1-CG1 4.22Å; F239-I242 HydrophobicContact CD1-CG2 3.72Å; F239-I242 HydrophobicContact CD2-CD1 4.07Å; F239-I242 HydrophobicContact CE1-CB 4.48Å; F239-I242 HydrophobicContact CE1-CD1 3.66Å; F239-I242 HydrophobicContact CE1-CG2 4.14Å; F239-I242 HydrophobicContact CE2-CD1 4.16Å; F239-I242 HydrophobicContact CG-CB 4.17Å; F239-I242 HydrophobicContact CG-CD1 3.77Å; F239-I242 HydrophobicContact CG-CG1 4.45Å; F239-I242 HydrophobicContact CZ-CD1 3.97Å; F239-I242 CarbonylContact O-C 3.18Å; F239-I242 PolarHBondContact O-N 3.31Å; F239-I242 VanDerWaalsContact O-N 3.11Å; I242-N245 CarbonylContact C-O 3.57Å; I242-N245 WeakPolarHBondContact CA-O 3.31Å
243	M	34.2	Very low	31.2	Very low	30 Å²	30	80.4 Å²	80.4	15%	0.148	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	16.2	171.3	-61	-78.9	-82.4	0	0	111.2	P136 F239 Y240 P241	P136-M243 WeakPolarHBondContact CA-O 3.44Å; P136-M243 HydrophobicContact CB-CB 3.87Å; P136-M243 HydrophobicContact CB-CE 4.26Å; P136-M243 WeakPolarHBondContact CB-O 3.43Å; P136-M243 HydrophobicContact CB-SD 4.16Å; P136-M243 HydrophobicContact CG-CE 4.45Å; F239-M243 HydrophobicContact CB-CG 4.14Å; F239-M243 WeakPolarHBondContact O-CA 3.01Å; F239-M243 WeakPolarHBondContact O-CB 3.01Å; F239-M243 WeakPolarHBondContact O-CG 3.34Å; F239-M243 PolarHBondContact O-N 3.34Å; Y240-M243 CarbonylContact O-C 3.52Å; P241-M243 VanDerWaalsContact C-N 3.26Å; P241-M243 PolarHBondContact O-N 2.96Å
244	H	33.2	Very low	30.9	Very low	43 Å²	43	86.6 Å²	86.6	20%	0.199	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.3	-8.5	165.6	-80.4	-59.9	0	0	0	113	S134 W199 Y240 P241	S134-H244 PolarHBondContact O-CE1 3.1Å; W199-H244 WeakPolarHBondContact CH2-O 3.48Å; W199-H244 WeakPolarHBondContact CZ2-O 3.32Å; Y240-H244 AromaticContact CD1-CD2 3.94Å; Y240-H244 AromaticContact CE1-CD2 3.69Å; Y240-H244 AromaticContact CE1-NE2 3.92Å; Y240-H244 AromaticContact CZ-NE2 3.92Å; Y240-H244 PolarHBondContact O-CD2 3.42Å; Y240-H244 VanDerWaalsContact O-CD2 3.25Å; Y240-H244 PolarHBondContact O-N 2.92Å; P241-H244 CarbonylContact O-C 3.49Å; P241-H244 PolarHBondContact O-N 3.17Å
245	N	31.1	Very low	30.9	Very low	23 Å²	23	93.5 Å²	93.5	12%	0.123	49%	0.494	C	S	.	.	S	Bend	trans	-155.1	158.4	176.9	-91.2	-41.3	0	0	0	112.4	W199 N203 W207 P241 I242	W199-N245 WeakPolarHBondContact CH2-OD1 3.11Å; N203-N245 WeakPolarHBondContact CB-ND2 3.44Å; W207-N245 HydrophobicContact CH2-CB 4.44Å; W207-N245 HydrophobicContact CZ2-CB 3.91Å; P241-N245 PolarHBondContact O-N 3.29Å; I242-N245 CarbonylContact C-O 3.57Å; I242-N245 WeakPolarHBondContact CA-O 3.31Å
246	A	29.6	Very low	30.6	Very low	57 Å²	57	95.1 Å²	95.1	47%	0.471	52%	0.518	S	S	.	.	S	Bend	trans	-60.4	162.5	169.9	0	0	0	0	0	111.1	T248	A246-T248 PolarHBondContact O-N 2.6Å
247	P	29.9	Very low	30.8	Very low	93 Å²	93	101.2 Å²	101.2	60%	0.604	54%	0.544	S	S	*	.	S	Bend	trans	-77.3	122.7	-150.4	30.8	-35.8	0	0	0	113.7
248	T	32.9	Very low	31	Very low	94 Å²	94	103.9 Å²	103.9	58%	0.577	56%	0.557	S	S	*	*				173.3	131.4	106.2	33.7	0	0	0	0	113.1	A246	A246-T248 PolarHBondContact O-N 2.6Å
249	Q	27.8	Very low	31.3	Very low	116 Å²	116	110.2 Å²	110.2	54%	0.542	58%	0.577	S	S	.	*			trans	34.1	126.7	153.7	-53.3	-171.5	14.6	0	0	121.8
250	L	25.2	Very low	31.7	Very low	126 Å²	126	111.5 Å²	111.5	66%	0.66	58%	0.584	S	S	*	*			trans	-71.2	151.5	173.5	-69.3	162.4	0	0	0	114.7	P241	P241-L250 HydrophobicContact CB-CD2 4.45Å; P241-L250 HydrophobicContact CB-CG 4.42Å; P241-L250 HydrophobicContact CG-CD1 3.57Å; P241-L250 HydrophobicContact CG-CD2 3.84Å; P241-L250 HydrophobicContact CG-CG 3.56Å
251	P	25.7	Very low	32.1	Very low	116 Å²	116	110 Å²	110	75%	0.753	58%	0.584	S	S	*	*			trans	-124.9	144.9	144.4	36.6	-26.6	0	0	0	113
252	P	35.7	Very low	32.7	Very low	116 Å²	116	112.5 Å²	112.5	75%	0.753	60%	0.6	S	S	*	*			trans	-103.3	108.8	171.9	34.5	-27.9	0	0	0	113.1
253	R	26.2	Very low	33.2	Very low	252 Å²	252	116.5 Å²	116.5	95%	0.951	62%	0.62	S	S	*	*			trans	174.9	153.7	133.3	-94.5	159.3	-166.7	-155.9	5.3	112
254	M	26.1	Very low	33.5	Very low	186 Å²	186	119.8 Å²	119.8	92%	0.916	64%	0.637	S	S	*	*			trans	-63.9	161.5	-169.8	-67.6	156.6	47.8	0	0	115.9
255	E	32.9	Very low	34.1	Very low	169 Å²	169	123.6 Å²	123.6	79%	0.79	65%	0.65	S	S	*	*			trans	-56	160.5	-177.5	-55.3	170.6	137.5	0	0	116.7
256	A	28.2	Very low	35	Very low	104 Å²	104	128.9 Å²	128.9	86%	0.86	67%	0.674	S	S	*	*			trans	-121.4	145.2	163.9	0	0	0	0	0	110.8
257	L	35.5	Very low	35.7	Very low	167 Å²	167	134.3 Å²	134.3	87%	0.874	68%	0.682	S	S	*	*			trans	-84.3	160.4	-163.1	-69.9	158.2	0	0	0	115.2	Q259	L257-Q259 PolarHBondContact O-N 2.76Å
258	E	36.4	Very low	36.6	Very low	199 Å²	199	133.3 Å²	133.3	93%	0.93	67%	0.666	S	S	*	*	S	Bend	trans	-62.1	18.2	-167.5	-51.8	176.7	124.5	0	0	118.9
259	Q	37.8	Very low	37.3	Very low	187 Å²	187	134 Å²	134	87%	0.874	67%	0.666	S	S	*	*			trans	-113.3	94.3	-167.5	-67.8	-178.2	2.3	0	0	113.7	L257	L257-Q259 PolarHBondContact O-N 2.76Å
260	E	42.5	Very low	38.4	Very low	70 Å²	70	136.4 Å²	136.4	33%	0.327	68%	0.675	S	S	.	*			trans	-65.6	136.8	171.8	-178.1	-174.2	-122.2	0	0	112.5	R265 R268	E260-R265 IonicContact OE2-CZ 3.15Å; E260-R265 IonicContact OE2-NE 2.77Å; E260-R265 PolarHBondContact OE2-NE 3.16Å; E260-R265 IonicContact OE2-NH2 2.7Å; E260-R265 PolarHBondContact OE2-NH2 3.02Å; E260-R268 IonicContact OE1-CZ 3.63Å; E260-R268 IonicContact OE1-NH1 3.81Å; E260-R268 PolarHBondContact OE1-NH1 3.26Å; E260-R268 IonicContact OE1-NH2 2.69Å; E260-R268 PolarHBondContact OE1-NH2 2.77Å
261	D	40.8	Very low	39.2	Very low	82 Å²	82	134.9 Å²	134.9	44%	0.439	67%	0.67	S	S	.	*			trans	-69	128.4	179.8	-168.9	-64.7	0	0	0	112.4	I263 I264 R265	D261-I263 VanDerWaalsContact C-N 3.27Å; D261-I263 PolarHBondContact O-N 2.62Å; D261-I263 WeakPolarHBondContact OD1-CB 3.25Å; D261-I263 PolarHBondContact OD1-N 2.79Å; D261-I264 HydrophobicContact CB-CD1 4.37Å; D261-I264 HydrophobicContact CB-CG1 4.32Å; D261-I264 PolarHBondContact O-N 3.14Å; D261-R265 PolarHBondContact O-N 2.92Å
262	P	42.7	Very low	40.2	Very low	92 Å²	92	132.8 Å²	132.8	60%	0.597	65%	0.653	S	S	*	*	H	α-helix	trans	-56.9	-32.4	-180	-25.9	34.6	0	0	0	115.3	R265 E266	P262-R265 PolarHBondContact O-N 2.64Å; P262-E266 WeakPolarHBondContact O-CB 3.32Å; P262-E266 PolarHBondContact O-N 3.47Å
263	I	43.5	Very low	40.9	Very low	124 Å²	124	131.7 Å²	131.7	64%	0.636	65%	0.646	S	S	*	*	H	α-helix	trans	-72.5	-38.3	-176.2	-57.5	175.7	0	0	0	110.1	D261 E266 W267	D261-I263 VanDerWaalsContact C-N 3.27Å; D261-I263 PolarHBondContact O-N 2.62Å; D261-I263 WeakPolarHBondContact OD1-CB 3.25Å; D261-I263 PolarHBondContact OD1-N 2.79Å; I263-E266 PolarHBondContact O-N 3.46Å; I263-W267 PolarHBondContact O-N 3.27Å
264	I	39.5	Very low	41.9	Very low	99 Å²	99	128.1 Å²	128.1	51%	0.508	64%	0.64	S	S	.	*	H	α-helix	trans	-69	-37.3	176.6	-62.3	-176.4	0	0	0	110.5	D261 W267 R268	D261-I264 HydrophobicContact CB-CD1 4.37Å; D261-I264 HydrophobicContact CB-CG1 4.32Å; D261-I264 PolarHBondContact O-N 3.14Å; I264-W267 PolarHBondContact O-N 3.47Å; I264-R268 WeakPolarHBondContact O-CB 3.45Å; I264-R268 PolarHBondContact O-N 3.02Å
265	R	46.9	Very low	42.9	Very low	124 Å²	124	122.4 Å²	122.4	47%	0.468	61%	0.613	S	S	.	*	H	α-helix	trans	-61.6	-44.6	171.5	-173.8	-178.5	-63.6	157	3	111.9	E260 D261 P262 W267 R268 L269	E260-R265 IonicContact OE2-CZ 3.15Å; E260-R265 IonicContact OE2-NE 2.77Å; E260-R265 PolarHBondContact OE2-NE 3.16Å; E260-R265 IonicContact OE2-NH2 2.7Å; E260-R265 PolarHBondContact OE2-NH2 3.02Å; D261-R265 PolarHBondContact O-N 2.92Å; P262-R265 PolarHBondContact O-N 2.64Å; R265-W267 VanDerWaalsContact C-N 3.34Å; R265-W267 PolarHBondContact O-N 2.87Å; R265-R268 PolarHBondContact O-N 3.11Å; R265-L269 HydrophobicContact CG-CD1 4.12Å; R265-L269 WeakPolarHBondContact O-CG 3.28Å; R265-L269 PolarHBondContact O-N 3.4Å; R265-L269 VanDerWaalsContact O-N 3.14Å
266	E	48.1	Very low	43.5	Very low	134 Å²	134	121.1 Å²	121.1	63%	0.626	62%	0.617	S	S	*	*	H	α-helix	trans	-70	-29.3	-179	-158.1	177.3	-140.1	0	0	112.9	P262 I263	P262-E266 WeakPolarHBondContact O-CB 3.32Å; P262-E266 PolarHBondContact O-N 3.47Å; I263-E266 PolarHBondContact O-N 3.46Å
267	W	45.8	Very low	44.1	Very low	171 Å²	171	121 Å²	121	65%	0.648	61%	0.61	S	S	*	*	H	α-helix	trans	-73.4	-44.5	171.1	-176.3	86.6	0	0	0	112.3	I263 I264 R265 L269 K270 V271	I263-W267 PolarHBondContact O-N 3.27Å; I264-W267 PolarHBondContact O-N 3.47Å; R265-W267 VanDerWaalsContact C-N 3.34Å; R265-W267 PolarHBondContact O-N 2.87Å; W267-L269 PolarHBondContact O-N 2.75Å; W267-K270 WeakPolarHBondContact O-CA 3.49Å; W267-K270 VanDerWaalsContact O-CB 3.25Å; W267-K270 WeakPolarHBondContact O-CB 3.48Å; W267-K270 PolarHBondContact O-N 3.39Å; W267-V271 HydrophobicContact CD2-CG2 4.11Å; W267-V271 HydrophobicContact CE3-CG2 4.43Å; W267-V271 HydrophobicContact CH2-CG2 4.25Å; W267-V271 HydrophobicContact CZ2-CG2 3.9Å; W267-V271 HydrophobicContact CZ3-CG2 4.49Å; W267-V271 PolarHBondContact O-N 3.2Å
268	R	48	Very low	44.2	Very low	71 Å²	71	115.3 Å²	115.3	27%	0.268	59%	0.587	S	S	.	*	H	α-helix	trans	-58.6	-48.8	178.9	-166.1	-174.6	-48.5	145.3	18.2	112	E260 I264 R265 K270 V271 D272	E260-R268 IonicContact OE1-CZ 3.63Å; E260-R268 IonicContact OE1-NH1 3.81Å; E260-R268 PolarHBondContact OE1-NH1 3.26Å; E260-R268 IonicContact OE1-NH2 2.69Å; E260-R268 PolarHBondContact OE1-NH2 2.77Å; I264-R268 WeakPolarHBondContact O-CB 3.45Å; I264-R268 PolarHBondContact O-N 3.02Å; R265-R268 PolarHBondContact O-N 3.11Å; R268-K270 PolarHBondContact O-N 3.47Å; R268-V271 PolarHBondContact O-N 2.84Å; R268-D272 PolarHBondContact O-N 3.44Å
269	L	48.5	Very low	44.1	Very low	108 Å²	108	111.7 Å²	111.7	57%	0.565	58%	0.579	S	S	*	*	H	α-helix	trans	-61.8	-14.2	176.2	-71.5	168.5	0	0	0	114.2	R265 W267	R265-L269 HydrophobicContact CG-CD1 4.12Å; R265-L269 WeakPolarHBondContact O-CG 3.28Å; R265-L269 PolarHBondContact O-N 3.4Å; R265-L269 VanDerWaalsContact O-N 3.14Å; W267-L269 PolarHBondContact O-N 2.75Å
270	K	49.8	Very low	43.9	Very low	168 Å²	168	106.2 Å²	106.2	73%	0.73	56%	0.559	S	S	*	*	H	α-helix	trans	-91.3	-26.5	175.5	-111.3	174.7	-176.6	164.5	0	113.6	W267 R268	W267-K270 WeakPolarHBondContact O-CA 3.49Å; W267-K270 VanDerWaalsContact O-CB 3.25Å; W267-K270 WeakPolarHBondContact O-CB 3.48Å; W267-K270 PolarHBondContact O-N 3.39Å; R268-K270 PolarHBondContact O-N 3.47Å
271	V	43.3	Very low	43.4	Very low	93 Å²	93	108.9 Å²	108.9	56%	0.564	58%	0.58	S	S	*	*	H	α-helix	trans	-95.3	-40.1	-175	175.9	0	0	0	0	110.9	W267 R268	W267-V271 HydrophobicContact CD2-CG2 4.11Å; W267-V271 HydrophobicContact CE3-CG2 4.43Å; W267-V271 HydrophobicContact CH2-CG2 4.25Å; W267-V271 HydrophobicContact CZ2-CG2 3.9Å; W267-V271 HydrophobicContact CZ3-CG2 4.49Å; W267-V271 PolarHBondContact O-N 3.2Å; R268-V271 PolarHBondContact O-N 2.84Å
272	D	45.5	Very low	43	Very low	72 Å²	72	111.6 Å²	111.6	39%	0.385	59%	0.593	S	S	.	*			trans	-140	93.7	179.7	-169.9	-6.7	0	0	0	110.2	R268 E274 N275	R268-D272 PolarHBondContact O-N 3.44Å; D272-E274 PolarHBondContact O-N 3.23Å; D272-N275 HydrophobicContact CB-CB 4.27Å; D272-N275 WeakPolarHBondContact OD2-CB 3.19Å; D272-N275 PolarHBondContact OD2-ND2 2.86Å
273	P	50.1	Low	42.4	Very low	94 Å²	94	115.6 Å²	115.6	61%	0.61	60%	0.598	S	S	*	*	S	Bend	trans	-72.4	-21	-169.3	-22.4	34.9	0	0	0	116.2
274	E	46.9	Very low	41.8	Very low	176 Å²	176	113.8 Å²	113.8	82%	0.822	60%	0.596	S	S	*	*	S	Bend	trans	-107	-7.8	-172.6	-59.8	-154.8	156.3	0	0	113.8	D272 T276	D272-E274 PolarHBondContact O-N 3.23Å; E274-T276 PolarHBondContact O-N 2.73Å
275	N	47.9	Very low	41.5	Very low	67 Å²	67	116.2 Å²	116.2	36%	0.358	61%	0.607	S	S	.	*			trans	-84.4	76.6	-175.7	-166.1	-12.8	0	0	0	112.5	D272 S277 A278	D272-N275 HydrophobicContact CB-CB 4.27Å; D272-N275 WeakPolarHBondContact OD2-CB 3.19Å; D272-N275 PolarHBondContact OD2-ND2 2.86Å; N275-S277 VanDerWaalsContact C-N 3.27Å; N275-S277 PolarHBondContact O-N 2.91Å; N275-A278 VanDerWaalsContact OD1-CB 3.31Å; N275-A278 WeakPolarHBondContact OD1-CB 3.42Å; N275-A278 PolarHBondContact OD1-N 3.49Å; N275-A278 VanDerWaalsContact OD1-N 3.15Å
276	T	46.2	Very low	41	Very low	141 Å²	141	116.1 Å²	116.1	87%	0.865	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-3.3	179.1	48.9	0	0	0	0	114.8	E274	E274-T276 PolarHBondContact O-N 2.73Å
277	S	41.1	Very low	40.6	Very low	101 Å²	101	111.3 Å²	111.3	71%	0.706	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.5	-1.6	-174.3	50.7	0	0	0	0	115.1	N275 T279	N275-S277 VanDerWaalsContact C-N 3.27Å; N275-S277 PolarHBondContact O-N 2.91Å; S277-T279 PolarHBondContact O-N 2.66Å
278	A	37.3	Very low	40.4	Very low	48 Å²	48	105.7 Å²	105.7	40%	0.397	60%	0.601	S	S	.	*			trans	-70	99.3	173.9	0	0	0	0	0	112.1	N275	N275-A278 VanDerWaalsContact OD1-CB 3.31Å; N275-A278 WeakPolarHBondContact OD1-CB 3.42Å; N275-A278 PolarHBondContact OD1-N 3.49Å; N275-A278 VanDerWaalsContact OD1-N 3.15Å
279	T	34.4	Very low	40.2	Very low	124 Å²	124	108.8 Å²	108.8	76%	0.761	62%	0.622	S	S	*	*			trans	-57.5	134.5	169.5	-49	0	0	0	0	110.4	S277 V281	S277-T279 PolarHBondContact O-N 2.66Å; T279-V281 PolarHBondContact O-N 2.65Å
280	P	34	Very low	40.2	Very low	72 Å²	72	110.4 Å²	110.4	47%	0.468	63%	0.625	S	S	.	*			trans	-71.9	114	-173	27.6	-35.1	0	0	0	112.6	I282	P280-I282 HydrophobicContact CB-CG1 4.41Å; P280-I282 PolarHBondContact O-N 3.42Å
281	V	31.4	Very low	39.8	Very low	125 Å²	125	107.2 Å²	107.2	76%	0.758	61%	0.614	S	S	*	*			trans	-74.2	101.9	164.8	-179.3	0	0	0	0	108.5	T279	T279-V281 PolarHBondContact O-N 2.65Å
282	I	32	Very low	39.8	Very low	140 Å²	140	105.5 Å²	105.5	72%	0.718	60%	0.6	S	S	*	*			trans	-90.6	113.6	176	-60.8	177.9	0	0	0	109.1	P280	P280-I282 HydrophobicContact CB-CG1 4.41Å; P280-I282 PolarHBondContact O-N 3.42Å
283	Y	30.9	Very low	40.1	Very low	176 Å²	176	108.9 Å²	108.9	69%	0.69	61%	0.613	S	S	*	*			trans	-65.8	131.6	164.2	-69.1	-87.5	0	0	0	109.7	M285	Y283-M285 PolarHBondContact O-N 3.4Å; Y283-M285 VanDerWaalsContact O-N 3.15Å
284	S	31	Very low	40	Very low	85 Å²	85	108.9 Å²	108.9	59%	0.594	61%	0.605	S	S	*	*			trans	-60.1	116	-174.3	-177.8	0	0	0	0	112.6	C286	S284-C286 PolarHBondContact O-N 2.71Å
285	M	32.7	Very low	39.9	Very low	150 Å²	150	104.5 Å²	104.5	74%	0.739	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	18.4	178.6	-70.2	-76.8	-80	0	0	114	Y283 S287 Q292	Y283-M285 PolarHBondContact O-N 3.4Å; Y283-M285 VanDerWaalsContact O-N 3.15Å; M285-S287 VanDerWaalsContact C-N 3.27Å; M285-Q292 PolarHBondContact SD-NE2 3.17Å; M285-Q292 VanDerWaalsContact SD-NE2 3.42Å
286	C	35	Very low	39.9	Very low	122 Å²	122	107.5 Å²	107.5	82%	0.824	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-11.9	174.8	-71.9	0	0	0	0	113.5	S284	S284-C286 PolarHBondContact O-N 2.71Å
287	S	41.3	Very low	40.4	Very low	33 Å²	33	106.1 Å²	106.1	23%	0.231	58%	0.584	C	S	.	*	S	Bend	trans	-98.3	121	177.1	-60.6	0	0	0	0	109.8	M285	M285-S287 VanDerWaalsContact C-N 3.27Å
288	G	40.8	Very low	40.8	Very low	54 Å²	54	103.6 Å²	103.6	56%	0.557	57%	0.569	S	S	*	*			trans	-65.2	153	177.1	0	0	0	0	0	112.2	K290 M291	G288-K290 VanDerWaalsContact C-N 3.25Å; G288-K290 PolarHBondContact O-N 3.39Å; G288-M291 PolarHBondContact O-N 2.87Å
289	D	44.8	Very low	41.1	Very low	135 Å²	135	107 Å²	107	72%	0.722	58%	0.575	S	S	*	*	H	α-helix	trans	-35.3	-48.2	-165.7	-44	-19.5	0	0	0	115.2	M291 Q292 E293	D289-M291 VanDerWaalsContact C-N 3.32Å; D289-M291 PolarHBondContact O-N 2.87Å; D289-Q292 WeakPolarHBondContact O-CB 3.11Å; D289-Q292 PolarHBondContact O-N 2.95Å; D289-E293 PolarHBondContact O-N 3.08Å
290	K	46.9	Very low	42.3	Very low	142 Å²	142	106.1 Å²	106.1	62%	0.617	57%	0.566	S	S	*	*	H	α-helix	trans	-57.1	-38.8	178.7	-174.5	173.7	-172.9	-77.6	0	114.1	G288 Q292 E294	G288-K290 VanDerWaalsContact C-N 3.25Å; G288-K290 PolarHBondContact O-N 3.39Å; K290-Q292 VanDerWaalsContact C-N 3.34Å; K290-E294 IonicContact NZ-OE1 3.21Å; K290-E294 PolarHBondContact NZ-OE1 2.96Å; K290-E294 WeakPolarHBondContact O-CB 3.19Å; K290-E294 VanDerWaalsContact O-CG 3.29Å; K290-E294 WeakPolarHBondContact O-CG 3.27Å; K290-E294 PolarHBondContact O-N 2.63Å
291	M	42.4	Very low	43.5	Very low	101 Å²	101	108.5 Å²	108.5	50%	0.498	57%	0.571	S	S	.	*	H	α-helix	trans	-78.2	-21	178.7	178.5	173.3	-100.6	0	0	111.8	G288 D289 L295	G288-M291 PolarHBondContact O-N 2.87Å; D289-M291 VanDerWaalsContact C-N 3.32Å; D289-M291 PolarHBondContact O-N 2.87Å; M291-L295 HydrophobicContact CG-CD1 4.45Å; M291-L295 WeakPolarHBondContact O-CB 3.27Å; M291-L295 WeakPolarHBondContact O-CD1 3.39Å; M291-L295 WeakPolarHBondContact O-CG 3.11Å; M291-L295 PolarHBondContact O-N 3.36Å; M291-L295 VanDerWaalsContact O-N 3.08Å
292	Q	43.3	Very low	44.3	Very low	58 Å²	58	106.5 Å²	106.5	27%	0.271	56%	0.555	S	S	.	*	H	α-helix	trans	-76.9	-39.6	168.7	-68	-165.9	-13.5	0	0	111.5	M285 D289 K290 L295 M296	M285-Q292 PolarHBondContact SD-NE2 3.17Å; M285-Q292 VanDerWaalsContact SD-NE2 3.42Å; D289-Q292 WeakPolarHBondContact O-CB 3.11Å; D289-Q292 PolarHBondContact O-N 2.95Å; K290-Q292 VanDerWaalsContact C-N 3.34Å; Q292-L295 PolarHBondContact O-N 2.94Å; Q292-M296 PolarHBondContact O-N 3.4Å
293	E	50.8	Low	45.6	Very low	142 Å²	142	106.3 Å²	106.3	66%	0.664	55%	0.551	S	S	*	*	H	α-helix	trans	-60.4	-45.7	169.9	-71.8	-176.8	146	0	0	111.6	D289 L295 M296 Q297	D289-E293 PolarHBondContact O-N 3.08Å; E293-L295 VanDerWaalsContact C-N 3.31Å; E293-L295 PolarHBondContact O-N 3.1Å; E293-M296 PolarHBondContact O-N 2.92Å; E293-Q297 WeakPolarHBondContact O-CB 3.47Å; E293-Q297 PolarHBondContact O-N 2.93Å
294	E	48.7	Very low	46.9	Very low	95 Å²	95	101.8 Å²	101.8	44%	0.444	54%	0.544	S	S	.	.	H	α-helix	trans	-62.3	-34.4	175.6	-74.7	169.1	-178	0	0	112.7	K290 A298	K290-E294 IonicContact NZ-OE1 3.21Å; K290-E294 PolarHBondContact NZ-OE1 2.96Å; K290-E294 WeakPolarHBondContact O-CB 3.19Å; K290-E294 VanDerWaalsContact O-CG 3.29Å; K290-E294 WeakPolarHBondContact O-CG 3.27Å; K290-E294 PolarHBondContact O-N 2.63Å; E294-A298 VanDerWaalsContact O-CB 3.29Å; E294-A298 WeakPolarHBondContact O-CB 3.28Å; E294-A298 PolarHBondContact O-N 3.39Å
295	L	44.5	Very low	48	Very low	84 Å²	84	100.3 Å²	100.3	44%	0.44	53%	0.531	S	S	.	.	H	α-helix	trans	-72.7	-45.1	175.2	-86	165.2	0	0	0	112.6	M291 Q292 E293 Q297 A298 F299	M291-L295 HydrophobicContact CG-CD1 4.45Å; M291-L295 WeakPolarHBondContact O-CB 3.27Å; M291-L295 WeakPolarHBondContact O-CD1 3.39Å; M291-L295 WeakPolarHBondContact O-CG 3.11Å; M291-L295 PolarHBondContact O-N 3.36Å; M291-L295 VanDerWaalsContact O-N 3.08Å; Q292-L295 PolarHBondContact O-N 2.94Å; E293-L295 VanDerWaalsContact C-N 3.31Å; E293-L295 PolarHBondContact O-N 3.1Å; L295-Q297 VanDerWaalsContact C-N 3.33Å; L295-Q297 PolarHBondContact O-N 3.2Å; L295-A298 PolarHBondContact O-N 3.25Å; L295-F299 WeakPolarHBondContact O-CD2 3.45Å; L295-F299 PolarHBondContact O-N 3.01Å
296	M	49.3	Very low	48.9	Very low	129 Å²	129	96.9 Å²	96.9	64%	0.635	52%	0.515	S	S	*	.	H	α-helix	trans	-57.6	-48.5	173.9	-92.2	175.6	52.3	0	0	110.8	Q292 E293 A298 F299 D300	Q292-M296 PolarHBondContact O-N 3.4Å; E293-M296 PolarHBondContact O-N 2.92Å; M296-A298 VanDerWaalsContact C-N 3.29Å; M296-A298 PolarHBondContact O-N 2.84Å; M296-F299 PolarHBondContact O-N 2.69Å; M296-D300 PolarHBondContact O-N 3.5Å
297	Q	55.3	Low	50.1	Low	112 Å²	112	93.6 Å²	93.6	52%	0.523	50%	0.497	S	S	.	.	H	α-helix	trans	-61.7	-38	178.1	-170.1	-179.9	-22.3	0	0	111.9	E293 L295 F299 D300 E301	E293-Q297 WeakPolarHBondContact O-CB 3.47Å; E293-Q297 PolarHBondContact O-N 2.93Å; L295-Q297 VanDerWaalsContact C-N 3.33Å; L295-Q297 PolarHBondContact O-N 3.2Å; Q297-F299 VanDerWaalsContact C-N 3.32Å; Q297-F299 PolarHBondContact O-N 2.9Å; Q297-D300 PolarHBondContact O-N 2.85Å; Q297-E301 WeakPolarHBondContact CG-OE1 3.2Å; Q297-E301 PolarHBondContact NE2-OE1 3.08Å; Q297-E301 WeakPolarHBondContact O-CB 3.43Å; Q297-E301 VanDerWaalsContact O-CG 3.28Å; Q297-E301 WeakPolarHBondContact O-CG 3.42Å; Q297-E301 PolarHBondContact O-N 3.11Å
298	A	48.9	Very low	51.2	Low	49 Å²	49	97.9 Å²	97.9	41%	0.405	51%	0.513	S	S	.	.	H	α-helix	trans	-66.2	-30.2	174.7	0	0	0	0	0	113.4	E294 L295 M296 L302	E294-A298 VanDerWaalsContact O-CB 3.29Å; E294-A298 WeakPolarHBondContact O-CB 3.28Å; E294-A298 PolarHBondContact O-N 3.39Å; L295-A298 PolarHBondContact O-N 3.25Å; M296-A298 VanDerWaalsContact C-N 3.29Å; M296-A298 PolarHBondContact O-N 2.84Å; A298-L302 WeakPolarHBondContact O-CB 3.18Å; A298-L302 PolarHBondContact O-N 3.41Å
299	F	44.8	Very low	51.6	Low	119 Å²	119	103.2 Å²	103.2	52%	0.522	52%	0.518	S	S	.	.	H	α-helix	trans	-74.6	-43.4	172.6	-79.5	-66.9	0	0	0	112.1	L295 M296 Q297 E301 L302 E303	L295-F299 WeakPolarHBondContact O-CD2 3.45Å; L295-F299 PolarHBondContact O-N 3.01Å; M296-F299 PolarHBondContact O-N 2.69Å; Q297-F299 VanDerWaalsContact C-N 3.32Å; Q297-F299 PolarHBondContact O-N 2.9Å; F299-E301 PolarHBondContact O-N 3.1Å; F299-L302 PolarHBondContact O-N 3.47Å; F299-E303 PolarHBondContact O-N 2.79Å
300	D	59.7	Low	52.2	Low	105 Å²	105	102.5 Å²	102.5	56%	0.561	51%	0.51	S	S	*	.	H	α-helix	trans	-59.7	-34.8	173.8	-65.6	-11.6	0	0	0	111.5	M296 Q297 P304	M296-D300 PolarHBondContact O-N 3.5Å; Q297-D300 PolarHBondContact O-N 2.85Å; D300-P304 WeakPolarHBondContact O-CD 3.38Å
301	E	59.6	Low	53.1	Low	122 Å²	122	99.2 Å²	99.2	57%	0.57	51%	0.505	S	S	*	.	H	α-helix	trans	-74.2	-24.6	174.1	-75	175.2	-164.6	0	0	113.2	Q297 F299	Q297-E301 WeakPolarHBondContact CG-OE1 3.2Å; Q297-E301 PolarHBondContact NE2-OE1 3.08Å; Q297-E301 WeakPolarHBondContact O-CB 3.43Å; Q297-E301 VanDerWaalsContact O-CG 3.28Å; Q297-E301 WeakPolarHBondContact O-CG 3.42Å; Q297-E301 PolarHBondContact O-N 3.11Å; F299-E301 PolarHBondContact O-N 3.1Å
302	L	48.1	Very low	53.9	Low	83 Å²	83	99.4 Å²	99.4	44%	0.435	51%	0.508	S	S	.	.	H	α-helix	trans	-89.6	-28.7	-178.6	-158.9	74.9	0	0	0	113.2	A298 F299 T305 I306	A298-L302 WeakPolarHBondContact O-CB 3.18Å; A298-L302 PolarHBondContact O-N 3.41Å; F299-L302 PolarHBondContact O-N 3.47Å; L302-T305 WeakPolarHBondContact O-CB 3.41Å; L302-T305 PolarHBondContact O-N 3.43Å; L302-I306 HydrophobicContact CD2-CD1 4Å; L302-I306 HydrophobicContact CG-CD1 4.08Å; L302-I306 HydrophobicContact CG-CG1 4.31Å; L302-I306 WeakPolarHBondContact O-CG1 3.33Å; L302-I306 PolarHBondContact O-N 3.02Å
303	E	57.9	Low	54.5	Low	136 Å²	136	102.5 Å²	102.5	64%	0.636	53%	0.525	S	S	*	.	H	α-helix	trans	-51.5	-47.6	179	-171	169.6	-154.9	0	0	114.3	F299 T305 I306 A307	F299-E303 PolarHBondContact O-N 2.79Å; E303-T305 VanDerWaalsContact C-N 3.3Å; E303-T305 PolarHBondContact O-N 2.99Å; E303-I306 PolarHBondContact O-N 2.89Å; E303-A307 PolarHBondContact O-N 3.36Å
304	P	58.4	Low	55.2	Low	81 Å²	81	99.4 Å²	99.4	53%	0.526	51%	0.513	S	S	.	.	H	α-helix	trans	-63.7	-32.9	175.8	24.2	-34.1	0	0	0	113.1	D300 A307 E308	D300-P304 WeakPolarHBondContact O-CD 3.38Å; P304-A307 PolarHBondContact O-N 3.05Å; P304-E308 WeakPolarHBondContact O-CB 3.14Å; P304-E308 PolarHBondContact O-N 3.16Å
305	T	55.8	Low	56	Low	54 Å²	54	98.8 Å²	98.8	33%	0.331	52%	0.524	S	S	.	.	H	α-helix	trans	-72	-35.2	176	-55.7	0	0	0	0	111.8	L302 E303 E308 Y309	L302-T305 WeakPolarHBondContact O-CB 3.41Å; L302-T305 PolarHBondContact O-N 3.43Å; E303-T305 VanDerWaalsContact C-N 3.3Å; E303-T305 PolarHBondContact O-N 2.99Å; T305-E308 PolarHBondContact O-N 3.24Å; T305-Y309 HydrophobicContact CG2-CD2 3.85Å; T305-Y309 HydrophobicContact CG2-CE2 3.67Å; T305-Y309 VanDerWaalsContact O-CD2 3.22Å; T305-Y309 WeakPolarHBondContact O-CD2 3.26Å; T305-Y309 PolarHBondContact O-N 3.26Å
306	I	50.1	Low	56.5	Low	79 Å²	79	98 Å²	98	41%	0.405	54%	0.536	S	S	.	.	H	α-helix	trans	-65.6	-42.3	172.4	-68.2	167.2	0	0	0	110.3	L302 E303 Y309 Q310	L302-I306 HydrophobicContact CD2-CD1 4Å; L302-I306 HydrophobicContact CG-CD1 4.08Å; L302-I306 HydrophobicContact CG-CG1 4.31Å; L302-I306 WeakPolarHBondContact O-CG1 3.33Å; L302-I306 PolarHBondContact O-N 3.02Å; E303-I306 PolarHBondContact O-N 2.89Å; I306-Y309 PolarHBondContact O-N 3.44Å; I306-Q310 HydrophobicContact CG2-CG 4.47Å; I306-Q310 WeakPolarHBondContact O-CB 3.25Å; I306-Q310 WeakPolarHBondContact O-CG 3.37Å; I306-Q310 PolarHBondContact O-N 2.96Å
307	A	61.7	Low	57.2	Low	53 Å²	53	94.1 Å²	94.1	44%	0.438	52%	0.517	S	S	.	.	H	α-helix	trans	-64.1	-38.3	175.4	0	0	0	0	0	112.5	E303 P304 S311	E303-A307 PolarHBondContact O-N 3.36Å; P304-A307 PolarHBondContact O-N 3.05Å; A307-S311 VanDerWaalsContact O-CB 3.32Å; A307-S311 WeakPolarHBondContact O-CB 3.46Å; A307-S311 PolarHBondContact O-N 2.93Å
308	E	62.5	Low	57.7	Low	123 Å²	123	92.3 Å²	92.3	58%	0.575	51%	0.513	S	S	*	.	H	α-helix	trans	-63	-50.3	173	-172.1	171.3	-156.5	0	0	111.1	P304 T305 Q310 S311 D312	P304-E308 WeakPolarHBondContact O-CB 3.14Å; P304-E308 PolarHBondContact O-N 3.16Å; T305-E308 PolarHBondContact O-N 3.24Å; E308-Q310 VanDerWaalsContact C-N 3.35Å; E308-Q310 PolarHBondContact O-N 3.39Å; E308-S311 WeakPolarHBondContact O-CB 3.34Å; E308-S311 PolarHBondContact O-N 2.89Å; E308-S311 VanDerWaalsContact O-N 3.14Å; E308-D312 PolarHBondContact O-N 2.93Å
309	Y	50.5	Low	58.4	Low	166 Å²	166	93.8 Å²	93.8	65%	0.651	53%	0.525	S	S	*	.	H	α-helix	trans	-60.1	-40.2	175.7	-83.8	-57.8	0	0	0	113.3	T305 I306 D312 L313	T305-Y309 HydrophobicContact CG2-CD2 3.85Å; T305-Y309 HydrophobicContact CG2-CE2 3.67Å; T305-Y309 VanDerWaalsContact O-CD2 3.22Å; T305-Y309 WeakPolarHBondContact O-CD2 3.26Å; T305-Y309 PolarHBondContact O-N 3.26Å; I306-Y309 PolarHBondContact O-N 3.44Å; Y309-D312 PolarHBondContact O-N 3.25Å; Y309-L313 WeakPolarHBondContact O-CB 3.45Å; Y309-L313 PolarHBondContact O-N 3.01Å
310	Q	56.8	Low	59.3	Low	120 Å²	120	92 Å²	92	56%	0.561	53%	0.526	S	S	*	.	H	α-helix	trans	-66.2	-39.7	175.4	-75	177.2	-8.4	0	0	111.6	I306 E308 L313 I314	I306-Q310 HydrophobicContact CG2-CG 4.47Å; I306-Q310 WeakPolarHBondContact O-CB 3.25Å; I306-Q310 WeakPolarHBondContact O-CG 3.37Å; I306-Q310 PolarHBondContact O-N 2.96Å; E308-Q310 VanDerWaalsContact C-N 3.35Å; E308-Q310 PolarHBondContact O-N 3.39Å; Q310-L313 PolarHBondContact O-N 2.78Å; Q310-I314 WeakPolarHBondContact O-CB 3.42Å; Q310-I314 WeakPolarHBondContact O-CD1 3.44Å; Q310-I314 VanDerWaalsContact O-CG1 3.23Å; Q310-I314 WeakPolarHBondContact O-CG1 3.45Å; Q310-I314 PolarHBondContact O-N 3.05Å
311	S	65.7	Low	59.1	Low	73 Å²	73	91.7 Å²	91.7	51%	0.51	52%	0.521	S	S	.	.	H	α-helix	trans	-63.3	-43.3	175	-176.5	0	0	0	0	112	A307 E308 I314 A315	A307-S311 VanDerWaalsContact O-CB 3.32Å; A307-S311 WeakPolarHBondContact O-CB 3.46Å; A307-S311 PolarHBondContact O-N 2.93Å; E308-S311 WeakPolarHBondContact O-CB 3.34Å; E308-S311 PolarHBondContact O-N 2.89Å; E308-S311 VanDerWaalsContact O-N 3.14Å; S311-I314 PolarHBondContact O-N 3.46Å; S311-A315 VanDerWaalsContact O-CB 3.29Å; S311-A315 WeakPolarHBondContact O-CB 3.22Å; S311-A315 PolarHBondContact O-N 2.94Å
312	D	60.3	Low	59.3	Low	105 Å²	105	88.4 Å²	88.4	56%	0.561	51%	0.507	S	S	*	.	H	α-helix	trans	-66.4	-39.2	176.7	-81.9	-5.4	0	0	0	112	E308 Y309 A315 G316	E308-D312 PolarHBondContact O-N 2.93Å; Y309-D312 PolarHBondContact O-N 3.25Å; D312-A315 PolarHBondContact O-N 3.5Å; D312-G316 PolarHBondContact O-N 3.39Å
313	L	55.2	Low	60	Low	122 Å²	122	91.7 Å²	91.7	64%	0.639	52%	0.52	S	S	*	.	H	α-helix	trans	-64.1	-45.6	176.3	-147.8	126.1	0	0	0	110.8	Y309 Q310 A315 G316 M317	Y309-L313 WeakPolarHBondContact O-CB 3.45Å; Y309-L313 PolarHBondContact O-N 3.01Å; Q310-L313 PolarHBondContact O-N 2.78Å; L313-A315 VanDerWaalsContact C-N 3.34Å; L313-A315 PolarHBondContact O-N 3.21Å; L313-G316 PolarHBondContact O-N 3.41Å; L313-M317 HydrophobicContact CD2-SD 4.28Å; L313-M317 WeakPolarHBondContact O-CG 3.02Å; L313-M317 PolarHBondContact O-N 3.17Å
314	I	64.8	Low	60.4	Low	77 Å²	77	91.4 Å²	91.4	40%	0.395	52%	0.519	S	S	.	.	H	α-helix	trans	-64.2	-37	175.5	-71.2	166	0	0	0	111.6	Q310 S311 G316 M317 L322 L325	Q310-I314 WeakPolarHBondContact O-CB 3.42Å; Q310-I314 WeakPolarHBondContact O-CD1 3.44Å; Q310-I314 VanDerWaalsContact O-CG1 3.23Å; Q310-I314 WeakPolarHBondContact O-CG1 3.45Å; Q310-I314 PolarHBondContact O-N 3.05Å; S311-I314 PolarHBondContact O-N 3.46Å; I314-G316 VanDerWaalsContact C-N 3.27Å; I314-G316 PolarHBondContact O-N 3.29Å; I314-M317 PolarHBondContact O-N 3.05Å; I314-L322 HydrophobicContact CG2-CD2 4.16Å; I314-L325 HydrophobicContact CG1-CD2 4.17Å
315	A	66.5	Low	60.5	Low	83 Å²	83	92.4 Å²	92.4	69%	0.686	52%	0.519	S	S	*	.	H	α-helix	trans	-69	-24	176.6	0	0	0	0	0	113.3	S311 D312 L313	S311-A315 VanDerWaalsContact O-CB 3.29Å; S311-A315 WeakPolarHBondContact O-CB 3.22Å; S311-A315 PolarHBondContact O-N 2.94Å; D312-A315 PolarHBondContact O-N 3.5Å; L313-A315 VanDerWaalsContact C-N 3.34Å; L313-A315 PolarHBondContact O-N 3.21Å
316	G	55.8	Low	60.7	Low	66 Å²	66	95.6 Å²	95.6	68%	0.68	53%	0.534	S	S	*	.	H	α-helix	trans	-87	-13.1	175.2	0	0	0	0	0	115.2	D312 L313 I314	D312-G316 PolarHBondContact O-N 3.39Å; L313-G316 PolarHBondContact O-N 3.41Å; I314-G316 VanDerWaalsContact C-N 3.27Å; I314-G316 PolarHBondContact O-N 3.29Å
317	M	62.6	Low	60.9	Low	49 Å²	49	98.2 Å²	98.2	24%	0.241	54%	0.543	C	S	.	.	S	Bend	trans	-78.2	141.6	-176.9	-75.3	169	100.9	0	0	112.6	L313 I314 E321 L322 L325	L313-M317 HydrophobicContact CD2-SD 4.28Å; L313-M317 WeakPolarHBondContact O-CG 3.02Å; L313-M317 PolarHBondContact O-N 3.17Å; I314-M317 PolarHBondContact O-N 3.05Å; M317-E321 HydrophobicContact CB-CB 4.24Å; M317-E321 HydrophobicContact CE-CB 3.97Å; M317-E321 HydrophobicContact CG-CB 4.43Å; M317-L322 HydrophobicContact CB-CG 4.25Å; M317-L325 HydrophobicContact CE-CB 4.07Å; M317-L325 HydrophobicContact CE-CD2 4.06Å; M317-L325 HydrophobicContact CE-CG 4.46Å; M317-L325 HydrophobicContact SD-CD2 3.93Å
318	T	65.8	Low	59.9	Low	74 Å²	74	103.8 Å²	103.8	45%	0.454	56%	0.56	S	S	.	*			trans	-74.3	157.1	171.7	66.9	0	0	0	0	110.9	P320 E321 L322	T318-P320 VanDerWaalsContact C-CD 3.49Å; T318-E321 VanDerWaalsContact CB-OE2 3.3Å; T318-E321 WeakPolarHBondContact CB-OE2 3.44Å; T318-E321 WeakPolarHBondContact CG2-OE2 3.3Å; T318-E321 PolarHBondContact N-OE2 2.93Å; T318-E321 PolarHBondContact O-N 3.28Å; T318-E321 VanDerWaalsContact OG1-CD 3.22Å; T318-E321 WeakPolarHBondContact OG1-CG 3.32Å; T318-E321 PolarHBondContact OG1-OE2 3.09Å; T318-L322 PolarHBondContact O-N 3.04Å
319	A	64.2	Low	59	Low	79 Å²	79	104.9 Å²	104.9	65%	0.653	57%	0.568	S	S	*	*	H	α-helix	trans	-48	-44.7	179.9	0	0	0	0	0	115.5	L322 E323	A319-L322 PolarHBondContact O-N 3.48Å; A319-E323 PolarHBondContact O-N 2.89Å
320	P	63	Low	58.3	Low	83 Å²	83	103.4 Å²	103.4	54%	0.539	57%	0.572	S	S	.	*	H	α-helix	trans	-69	-34.2	176.5	26.7	-35.3	0	0	0	113.7	T318 L322 E323 E324	T318-P320 VanDerWaalsContact C-CD 3.49Å; P320-L322 VanDerWaalsContact C-N 3.31Å; P320-E323 PolarHBondContact O-N 2.88Å; P320-E324 PolarHBondContact O-N 3.32Å
321	E	56.3	Low	57.2	Low	97 Å²	97	103.4 Å²	103.4	45%	0.453	58%	0.583	S	S	.	*	H	α-helix	trans	-68.3	-34.9	176.5	-65	165.5	136.2	0	0	111.1	M317 T318 E324 L325	M317-E321 HydrophobicContact CB-CB 4.24Å; M317-E321 HydrophobicContact CE-CB 3.97Å; M317-E321 HydrophobicContact CG-CB 4.43Å; T318-E321 VanDerWaalsContact CB-OE2 3.3Å; T318-E321 WeakPolarHBondContact CB-OE2 3.44Å; T318-E321 WeakPolarHBondContact CG2-OE2 3.3Å; T318-E321 PolarHBondContact N-OE2 2.93Å; T318-E321 PolarHBondContact O-N 3.28Å; T318-E321 VanDerWaalsContact OG1-CD 3.22Å; T318-E321 WeakPolarHBondContact OG1-CG 3.32Å; T318-E321 PolarHBondContact OG1-OE2 3.09Å; E321-E324 PolarHBondContact O-N 2.86Å; E321-L325 WeakPolarHBondContact O-CB 3.3Å; E321-L325 PolarHBondContact O-N 2.98Å
322	L	64.1	Low	55.8	Low	54 Å²	54	107 Å²	107	28%	0.283	60%	0.597	S	S	.	*	H	α-helix	trans	-67.8	-35.4	172.1	-112.8	163.9	0	0	0	112.5	I314 M317 T318 A319 P320 N326	I314-L322 HydrophobicContact CG2-CD2 4.16Å; M317-L322 HydrophobicContact CB-CG 4.25Å; T318-L322 PolarHBondContact O-N 3.04Å; A319-L322 PolarHBondContact O-N 3.48Å; P320-L322 VanDerWaalsContact C-N 3.31Å; L322-N326 WeakPolarHBondContact O-CB 3.32Å; L322-N326 PolarHBondContact O-N 3.35Å; L322-N326 PolarHBondContact O-ND2 3.15Å
323	E	63	Low	54.7	Low	152 Å²	152	110.3 Å²	110.3	71%	0.71	61%	0.614	S	S	*	*	H	α-helix	trans	-71	-35.6	174.7	-169.3	169.3	-161.8	0	0	111.7	A319 P320 K327	A319-E323 PolarHBondContact O-N 2.89Å; P320-E323 PolarHBondContact O-N 2.88Å; E323-K327 PolarHBondContact O-N 2.96Å
324	E	65.6	Low	53.6	Low	130 Å²	130	113 Å²	113	61%	0.607	62%	0.624	S	S	*	*	H	α-helix	trans	-73	-37.9	174.4	-166.4	127	-119.3	0	0	112.6	P320 E321 N326 K327	P320-E324 PolarHBondContact O-N 3.32Å; E321-E324 PolarHBondContact O-N 2.86Å; E324-N326 VanDerWaalsContact C-N 3.34Å; E324-N326 PolarHBondContact O-N 3.42Å; E324-K327 WeakPolarHBondContact O-CB 3.48Å; E324-K327 PolarHBondContact O-N 2.98Å; E324-K327 VanDerWaalsContact O-N 3.17Å; E324-K327 IonicContact OE1-NZ 3.42Å
325	L	59.9	Low	52	Low	102 Å²	102	118.9 Å²	118.9	53%	0.534	65%	0.652	S	S	.	*	H	α-helix	trans	-64.3	-36.5	174.1	-174.7	70.3	0	0	0	112.7	I314 M317 E321 K327	I314-L325 HydrophobicContact CG1-CD2 4.17Å; M317-L325 HydrophobicContact CE-CB 4.07Å; M317-L325 HydrophobicContact CE-CD2 4.06Å; M317-L325 HydrophobicContact CE-CG 4.46Å; M317-L325 HydrophobicContact SD-CD2 3.93Å; E321-L325 WeakPolarHBondContact O-CB 3.3Å; E321-L325 PolarHBondContact O-N 2.98Å; L325-K327 VanDerWaalsContact C-N 3.26Å; L325-K327 PolarHBondContact O-N 2.99Å
326	N	60.3	Low	50.4	Low	121 Å²	121	120.3 Å²	120.3	65%	0.647	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	3.6	176.6	-73.3	-69.4	0	0	0	113.4	L322 E324 Q328	L322-N326 WeakPolarHBondContact O-CB 3.32Å; L322-N326 PolarHBondContact O-N 3.35Å; L322-N326 PolarHBondContact O-ND2 3.15Å; E324-N326 VanDerWaalsContact C-N 3.34Å; E324-N326 PolarHBondContact O-N 3.42Å; N326-Q328 PolarHBondContact O-N 3.34Å
327	K	54.7	Low	49.1	Very low	133 Å²	133	126.7 Å²	126.7	58%	0.578	67%	0.669	S	S	*	*			trans	-79.1	95.6	-176.5	-160.9	174.3	-178.9	-179	0	109.9	E323 E324 L325 I329	E323-K327 PolarHBondContact O-N 2.96Å; E324-K327 WeakPolarHBondContact O-CB 3.48Å; E324-K327 PolarHBondContact O-N 2.98Å; E324-K327 VanDerWaalsContact O-N 3.17Å; E324-K327 IonicContact OE1-NZ 3.42Å; L325-K327 VanDerWaalsContact C-N 3.26Å; L325-K327 PolarHBondContact O-N 2.99Å; K327-I329 PolarHBondContact O-N 3.1Å; K327-I329 VanDerWaalsContact O-N 3.07Å
328	Q	40.9	Very low	47.5	Very low	171 Å²	171	129.9 Å²	129.9	80%	0.799	70%	0.697	S	S	*	*			trans	-59.6	112.4	174.6	-169.5	167.2	-9.4	0	0	109.6	N326 D330	N326-Q328 PolarHBondContact O-N 3.34Å; Q328-D330 PolarHBondContact O-N 2.97Å
329	I	43.1	Very low	45.6	Very low	145 Å²	145	132.4 Å²	132.4	74%	0.744	72%	0.717	S	S	*	*			trans	-79.9	98.5	178.7	-56.5	177.1	0	0	0	107.8	K327 C331	K327-I329 PolarHBondContact O-N 3.1Å; K327-I329 VanDerWaalsContact O-N 3.07Å; I329-C331 PolarHBondContact O-N 3.26Å
330	D	36.9	Very low	44	Very low	136 Å²	136	135.2 Å²	135.2	73%	0.727	72%	0.721	S	S	*	*			trans	-71.4	109	165.4	-84.6	-29.6	0	0	0	108.9	Q328 D332	Q328-D330 PolarHBondContact O-N 2.97Å; D330-D332 VanDerWaalsContact C-N 3.29Å; D330-D332 PolarHBondContact O-N 3.33Å
331	C	33.1	Very low	42.4	Very low	120 Å²	120	136.5 Å²	136.5	81%	0.811	73%	0.732	S	S	*	*			trans	-78	74.7	174.1	-68.4	0	0	0	0	111.2	I329	I329-C331 PolarHBondContact O-N 3.26Å
332	D	36.5	Very low	41	Very low	149 Å²	149	136.5 Å²	136.5	80%	0.797	75%	0.749	S	S	*	*			trans	-87.5	136.6	163.1	-97.9	-20.2	0	0	0	110.6	D330 Q334	D330-D332 VanDerWaalsContact C-N 3.29Å; D330-D332 PolarHBondContact O-N 3.33Å; D332-Q334 PolarHBondContact O-N 2.8Å
333	D	35.7	Very low	39.4	Very low	173 Å²	173	139.8 Å²	139.8	93%	0.925	77%	0.773	S	S	*	*	S	Bend	trans	-68.1	32.5	-167	-94	-31.7	0	0	0	116.7
334	Q	32.6	Very low	38	Very low	180 Å²	180	138.8 Å²	138.8	84%	0.841	78%	0.78	S	S	*	*			trans	-131.8	107.4	175.7	-64.3	-164.3	9.2	0	0	112.9	D332 S336	D332-Q334 PolarHBondContact O-N 2.8Å; Q334-S336 PolarHBondContact O-N 3.23Å
335	M	30.9	Very low	36.1	Very low	199 Å²	199	137.7 Å²	137.7	98%	0.98	79%	0.787	S	S	*	*			trans	-59.1	106.1	169.9	-77.6	-163.8	-73.8	0	0	111
336	S	33	Very low	34.6	Very low	114 Å²	114	142.2 Å²	142.2	80%	0.797	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-79.7	136.7	165.7	54.2	0	0	0	0	110	Q334 S338	Q334-S336 PolarHBondContact O-N 3.23Å; S336-S338 PolarHBondContact O-N 2.8Å
337	Q	29.3	Very low	33	Very low	199 Å²	199	143.1 Å²	143.1	93%	0.93	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-66.9	124.4	-176.8	-65.8	172.2	-21.8	0	0	110.8
338	S	28.3	Very low	31.5	Very low	117 Å²	117	141.9 Å²	141.9	82%	0.818	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-77.2	134.4	167	53.7	0	0	0	0	110.4	S336	S336-S338 PolarHBondContact O-N 2.8Å
339	S	26.6	Very low	30.7	Very low	126 Å²	126	139.1 Å²	139.1	88%	0.881	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-72.1	128.9	-170.5	-171.5	0	0	0	0	112.3
340	D	30.3	Very low	29.9	Very low	138 Å²	138	138.6 Å²	138.6	74%	0.738	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-99.3	144	172.7	-161.2	-14.8	0	0	0	111
341	S	30.4	Very low	29.4	Very low	111 Å²	111	140.4 Å²	140.4	78%	0.776	83%	0.83	S	S	*	*			trans	56.3	122.1	158.2	-67.3	0	0	0	0	121.2
342	A	25.8	Very low	29.2	Very low	97 Å²	97	143.1 Å²	143.1	80%	0.802	83%	0.831	S	S	*	*			trans	-126	136.3	159.2	0	0	0	0	0	111.1
343	P	30.3	Very low	28.6	Very low	122 Å²	122	143.7 Å²	143.7	79%	0.792	83%	0.833	S	S	*	*			trans	-84.6	169.2	-174.7	-6.8	26.3	0	0	0	114
344	P	32.8	Very low	28.1	Very low	132 Å²	132	141.7 Å²	141.7	86%	0.857	82%	0.822	S	S	*	*			trans	-77.9	147.5	-174.2	32.5	-35.7	0	0	0	113.3
345	S	26.5	Very low	27.8	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	82%	0.821	S	S	*	*			trans	-109.6	129	169.2	61.2	0	0	0	0	111.9
346	E	28	Very low	27.5	Very low	196 Å²	196	133.6 Å²	133.6	92%	0.916	80%	0.804	S	S	*	*			trans	-64	138.9	172.3	-59.1	-179	150.3	0	0	111.6
347	V	26.6	Very low	27.2	Very low	141 Å²	141	136.1 Å²	136.1	86%	0.855	81%	0.808	S	S	*	*			trans	-141.6	125.1	154.4	-143.6	0	0	0	0	109.2
348	S	23.7	Very low	27	Very low	106 Å²	106	133.6 Å²	133.6	74%	0.741	80%	0.801	S	S	*	*			trans	-93.7	143.9	173.9	169.7	0	0	0	0	110.5
349	S	25.2	Very low	26.9	Very low	114 Å²	114	135.4 Å²	135.4	80%	0.797	80%	0.8	S	S	*	*			trans	-168.2	130.8	136.5	-172.4	0	0	0	0	111.4
350	D	24.8	Very low	26.9	Very low	134 Å²	134	141 Å²	141	72%	0.717	80%	0.801	S	S	*	*			trans	-56.3	148.2	-179	-46.3	-53.2	0	0	0	115.5
351	L	27.4	Very low	26.8	Very low	174 Å²	174	142.2 Å²	142.2	91%	0.911	81%	0.808	S	S	*	*			trans	-156.6	96.2	134.3	-125.3	148.2	0	0	0	111.2
352	E	28.8	Very low	26.5	Very low	176 Å²	176	140.1 Å²	140.1	82%	0.822	80%	0.804	S	S	*	*			trans	-68.7	139.7	164.2	-58.8	176.3	141.1	0	0	110
353	L	24.6	Very low	26.6	Very low	161 Å²	161	144.6 Å²	144.6	84%	0.843	81%	0.81	S	S	*	*				-158.9	132.5	122.6	-157	60.5	0	0	0	112.8
354	D	24	Very low	26.3	Very low	132 Å²	132	145.5 Å²	145.5	71%	0.706	81%	0.814	S	S	*	*			trans	-44	141.3	173.8	-68.5	-64.7	0	0	0	115.6
355	T	27.3	Very low	26.1	Very low	134 Å²	134	147.2 Å²	147.2	82%	0.822	81%	0.812	S	S	*	*				-147.1	83.2	114.2	-48.6	0	0	0	0	110.3	L357	T355-L357 PolarHBondContact O-N 2.77Å
356	A	24.5	Very low	26.2	Very low	75 Å²	75	147.2 Å²	147.2	62%	0.62	81%	0.81	S	S	*	*			trans	-70.8	121.1	162.6	0	0	0	0	0	110
357	L	26.1	Very low	26.6	Very low	167 Å²	167	144.8 Å²	144.8	87%	0.874	80%	0.802	S	S	*	*			trans	-131.1	82.3	151.9	-87.4	-179.7	0	0	0	108.6	T355	T355-L357 PolarHBondContact O-N 2.77Å
358	D	25.4	Very low	27.2	Very low	146 Å²	146	142 Å²	142	78%	0.781	79%	0.785	S	S	*	*			trans	-57.5	165.1	165.7	-92.5	-45.6	0	0	0	112.8
359	I	26.4	Very low	28.1	Very low	155 Å²	155	144.2 Å²	144.2	80%	0.795	79%	0.789	S	S	*	*			trans	105.8	71.9	162.3	-49.5	157.4	0	0	0	114.2
360	R	26.4	Very low	29.6	Very low	243 Å²	243	140.6 Å²	140.6	92%	0.917	76%	0.761	S	S	*	*				-165.5	116.4	100.5	-111.1	177.2	174.2	-179.7	-2.7	113.4
361	D	27.1	Very low	31.7	Very low	164 Å²	164	141.5 Å²	141.5	88%	0.877	76%	0.758	S	S	*	*			trans	-75.3	153.9	179.3	-150	-16.1	0	0	0	112.6
362	G	24.6	Very low	33.9	Very low	67 Å²	67	137.6 Å²	137.6	69%	0.691	74%	0.738	S	S	*	*			trans	157.8	60.5	178.8	0	0	0	0	0	117.5
363	M	27.3	Very low	36	Very low	190 Å²	190	136.5 Å²	136.5	94%	0.936	73%	0.733	S	S	*	*			trans	68.7	79.2	169.7	-61.6	170.5	116.5	0	0	116.9
364	T	25.6	Very low	38.5	Very low	141 Å²	141	131.5 Å²	131.5	87%	0.865	71%	0.709	S	S	*	*			trans	-101.1	114.5	153.4	36.1	0	0	0	0	110.3
365	M	27.2	Very low	41	Very low	168 Å²	168	125.3 Å²	125.3	83%	0.828	68%	0.676	S	S	*	*			trans	-62.6	153	164.7	-71.4	-72	-74.8	0	0	109.7	L367	M365-L367 PolarHBondContact O-N 3.37Å; M365-L367 VanDerWaalsContact O-N 3.14Å
366	P	29.5	Very low	43.6	Very low	107 Å²	107	122.9 Å²	122.9	70%	0.695	66%	0.655	S	S	*	*			trans	-59.1	122.2	-178.3	24.1	-33.8	0	0	0	110.6	V368	P366-V368 PolarHBondContact O-N 2.75Å; P366-V368 VanDerWaalsContact O-N 3.1Å
367	L	35.9	Very low	46.2	Very low	145 Å²	145	120.7 Å²	120.7	76%	0.759	64%	0.64	S	S	*	*			trans	-68	106.1	170	-169.2	74.2	0	0	0	106.8	M365 D369	M365-L367 PolarHBondContact O-N 3.37Å; M365-L367 VanDerWaalsContact O-N 3.14Å; L367-D369 PolarHBondContact O-N 2.91Å
368	V	39.8	Very low	48.8	Very low	82 Å²	82	112.7 Å²	112.7	50%	0.497	60%	0.598	S	S	.	*			trans	-68	119.3	171.5	177.6	0	0	0	0	106.9	P366 L370	P366-V368 PolarHBondContact O-N 2.75Å; P366-V368 VanDerWaalsContact O-N 3.1Å; V368-L370 HydrophobicContact CG1-CD2 4.35Å; V368-L370 HydrophobicContact CG1-CG 4.32Å; V368-L370 PolarHBondContact O-N 2.99Å
369	D	42.2	Very low	51.8	Low	153 Å²	153	105.8 Å²	105.8	82%	0.818	56%	0.561	S	S	*	*			trans	-64.9	86.4	166.9	-81.1	-29.5	0	0	0	108.8	L367 K371	L367-D369 PolarHBondContact O-N 2.91Å; D369-K371 PolarHBondContact O-N 3.2Å
370	L	56.4	Low	54.5	Low	39 Å²	39	101 Å²	101	20%	0.204	54%	0.537	C	S	.	.			trans	-69.9	113.7	170.7	-68	160.1	0	0	0	107.1	V368 D372 I375 M395 F399	V368-L370 HydrophobicContact CG1-CD2 4.35Å; V368-L370 HydrophobicContact CG1-CG 4.32Å; V368-L370 PolarHBondContact O-N 2.99Å; L370-D372 PolarHBondContact O-N 3.41Å; L370-D372 VanDerWaalsContact O-N 3.14Å; L370-I375 HydrophobicContact CB-CD1 3.59Å; L370-I375 HydrophobicContact CB-CG1 4.2Å; L370-I375 HydrophobicContact CD1-CD1 4.35Å; L370-M395 HydrophobicContact CD2-CE 4.37Å; L370-M395 HydrophobicContact CD2-CG 3.45Å; L370-M395 VanDerWaalsContact CD2-CG 3.45Å; L370-M395 HydrophobicContact CD2-SD 3.96Å; L370-F399 HydrophobicContact CD1-CB 4.2Å
371	K	68.6	Low	57	Low	152 Å²	152	94.8 Å²	94.8	66%	0.661	51%	0.514	S	S	*	.			trans	-59.1	118.9	174.8	-67.5	-173.1	175.9	-170.8	0	109.4	D369 E373 V374 I375	D369-K371 PolarHBondContact O-N 3.2Å; K371-E373 PolarHBondContact O-N 2.99Å; K371-V374 HydrophobicContact CB-CG2 4.05Å; K371-V374 WeakPolarHBondContact O-CB 3.47Å; K371-V374 PolarHBondContact O-N 2.98Å; K371-I375 PolarHBondContact O-N 2.75Å
372	D	73.4	Confident	59.8	Low	92 Å²	92	87 Å²	87	49%	0.492	47%	0.472	S	S	.	.	H	α-helix	trans	-56.4	-35.4	-174.9	-79.6	-32.8	0	0	0	113.2	L370 V374 I375 E376 H407	L370-D372 PolarHBondContact O-N 3.41Å; L370-D372 VanDerWaalsContact O-N 3.14Å; D372-V374 PolarHBondContact O-N 3.03Å; D372-I375 WeakPolarHBondContact O-CB 3.49Å; D372-I375 PolarHBondContact O-N 2.68Å; D372-I375 VanDerWaalsContact O-N 3.11Å; D372-E376 WeakPolarHBondContact O-CB 3.47Å; D372-E376 PolarHBondContact O-N 3.21Å; D372-H407 IonicContact OD1-CE1 2.71Å; D372-H407 IonicContact OD1-NE2 3.98Å; D372-H407 PolarHBondContact OD1-NE2 3.33Å
373	E	73.7	Confident	62.9	Low	153 Å²	153	86.1 Å²	86.1	72%	0.715	45%	0.452	S	S	*	.	H	α-helix	trans	-56	-35.8	173.6	-61.5	169.6	171.6	0	0	112.8	K371 G377	K371-E373 PolarHBondContact O-N 2.99Å; E373-G377 PolarHBondContact O-N 3.13Å; E373-G377 VanDerWaalsContact O-N 3.09Å
374	V	76.8	Confident	65.7	Low	56 Å²	56	83.1 Å²	83.1	34%	0.339	44%	0.439	S	S	.	.	H	α-helix	trans	-77.6	-35.1	179	-177.5	0	0	0	0	110.7	K371 D372 C378 M395	K371-V374 HydrophobicContact CB-CG2 4.05Å; K371-V374 WeakPolarHBondContact O-CB 3.47Å; K371-V374 PolarHBondContact O-N 2.98Å; D372-V374 PolarHBondContact O-N 3.03Å; V374-C378 WeakPolarHBondContact O-CB 3.37Å; V374-C378 PolarHBondContact O-N 3.4Å; V374-C378 PolarHBondContact O-SG 2.86Å; V374-M395 HydrophobicContact CG1-SD 4Å
375	I	77.4	Confident	68.3	Low	3 Å²	3	77.3 Å²	77.3	2%	0.015	41%	0.407	C	S	.	.	H	α-helix	trans	-65.5	-46.4	172.5	-64.8	163.4	0	0	0	109.5	L370 K371 D372 C378 V379 M396 F399 Q409	L370-I375 HydrophobicContact CB-CD1 3.59Å; L370-I375 HydrophobicContact CB-CG1 4.2Å; L370-I375 HydrophobicContact CD1-CD1 4.35Å; K371-I375 PolarHBondContact O-N 2.75Å; D372-I375 WeakPolarHBondContact O-CB 3.49Å; D372-I375 PolarHBondContact O-N 2.68Å; D372-I375 VanDerWaalsContact O-N 3.11Å; I375-C378 CarbonylContact O-C 3.55Å; I375-C378 WeakPolarHBondContact O-CA 3.47Å; I375-C378 WeakPolarHBondContact O-CB 3.16Å; I375-C378 PolarHBondContact O-N 2.8Å; I375-V379 HydrophobicContact CG2-CG2 4.32Å; I375-V379 WeakPolarHBondContact O-CG2 3.47Å; I375-V379 PolarHBondContact O-N 2.92Å; I375-M396 HydrophobicContact CG2-CE 4.28Å; I375-M396 HydrophobicContact CG2-SD 4.1Å; I375-F399 HydrophobicContact CD1-CD2 3.57Å; I375-F399 HydrophobicContact CD1-CE2 3.84Å; I375-F399 HydrophobicContact CD1-CG 4.35Å; I375-F399 HydrophobicContact CG1-CD2 4.19Å; I375-F399 HydrophobicContact CG2-CD1 4.09Å; I375-F399 HydrophobicContact CG2-CD2 4.06Å; I375-F399 HydrophobicContact CG2-CE1 3.9Å; I375-F399 HydrophobicContact CG2-CE2 3.86Å; I375-F399 HydrophobicContact CG2-CG 4.19Å; I375-F399 HydrophobicContact CG2-CZ 3.78Å; I375-Q409 HydrophobicContact CG2-CB 3.74Å; I375-Q409 HydrophobicContact CG2-CG 4.01Å
376	E	80.6	Confident	70.8	Confident	82 Å²	82	72.2 Å²	72.2	38%	0.383	39%	0.386	S	S	.	.	H	α-helix	trans	-55.1	-56	177.8	-178.9	149.3	-122.6	0	0	111.5	D372 C378 V379 D380 Q409 R412	D372-E376 WeakPolarHBondContact O-CB 3.47Å; D372-E376 PolarHBondContact O-N 3.21Å; E376-C378 PolarHBondContact O-N 2.76Å; E376-C378 VanDerWaalsContact O-N 3.1Å; E376-V379 WeakPolarHBondContact O-CA 3.21Å; E376-V379 PolarHBondContact O-N 3.26Å; E376-D380 VanDerWaalsContact O-CG 3.31Å; E376-D380 PolarHBondContact O-N 3.44Å; E376-Q409 HydrophobicContact CB-CG 4.47Å; E376-Q409 PolarHBondContact OE1-NE2 3.47Å; E376-R412 IonicContact OE1-NH1 2.77Å
377	G	79.6	Confident	73	Confident	29 Å²	29	70.6 Å²	70.6	30%	0.299	37%	0.374	S	S	.	.	H	α-helix	trans	-65.3	-13.9	176.4	0	0	0	0	0	114.9	E373 R381	E373-G377 PolarHBondContact O-N 3.13Å; E373-G377 VanDerWaalsContact O-N 3.09Å; G377-R381 WeakPolarHBondContact O-CD 3.44Å; G377-R381 WeakPolarHBondContact O-CG 3.5Å
378	C	81.3	Confident	74.6	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-85.7	-37.3	167.7	-68.5	0	0	0	0	112.2	V374 I375 E376 I382 L388 M396	V374-C378 WeakPolarHBondContact O-CB 3.37Å; V374-C378 PolarHBondContact O-N 3.4Å; V374-C378 PolarHBondContact O-SG 2.86Å; I375-C378 CarbonylContact O-C 3.55Å; I375-C378 WeakPolarHBondContact O-CA 3.47Å; I375-C378 WeakPolarHBondContact O-CB 3.16Å; I375-C378 PolarHBondContact O-N 2.8Å; E376-C378 PolarHBondContact O-N 2.76Å; E376-C378 VanDerWaalsContact O-N 3.1Å; C378-I382 WeakPolarHBondContact O-CD1 3.22Å; C378-I382 VanDerWaalsContact O-CG1 3.22Å; C378-I382 WeakPolarHBondContact O-CG1 3.43Å; C378-I382 PolarHBondContact O-N 2.87Å; C378-L388 HydrophobicContact CB-CD1 4.41Å; C378-L388 HydrophobicContact CB-CD2 4.24Å; C378-M396 HydrophobicContact CB-CE 4.43Å; C378-M396 HydrophobicContact CB-CG 3.68Å; C378-M396 HydrophobicContact CB-SD 3.63Å
379	V	87.8	Confident	76.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-45.9	174.2	167.8	0	0	0	0	110.6	I375 E376 R381 I382 L383 M396 Q409 R412 L413	I375-V379 HydrophobicContact CG2-CG2 4.32Å; I375-V379 WeakPolarHBondContact O-CG2 3.47Å; I375-V379 PolarHBondContact O-N 2.92Å; E376-V379 WeakPolarHBondContact O-CA 3.21Å; E376-V379 PolarHBondContact O-N 3.26Å; V379-R381 VanDerWaalsContact C-N 3.34Å; V379-R381 PolarHBondContact O-N 2.76Å; V379-I382 WeakPolarHBondContact O-CB 3.32Å; V379-I382 PolarHBondContact O-N 3.49Å; V379-L383 HydrophobicContact CG1-CD1 3.85Å; V379-L383 HydrophobicContact CG1-CG 4.18Å; V379-L383 WeakPolarHBondContact O-CG 3.31Å; V379-L383 PolarHBondContact O-N 3.08Å; V379-M396 HydrophobicContact CG2-CE 3.58Å; V379-Q409 HydrophobicContact CG2-CB 4.1Å; V379-R412 HydrophobicContact CG1-CB 4.32Å; V379-L413 HydrophobicContact CG1-CD2 4.03Å; V379-L413 HydrophobicContact CG1-CG 4.11Å; V379-L413 HydrophobicContact CG2-CD1 3.97Å; V379-L413 HydrophobicContact CG2-CD2 4.31Å; V379-L413 HydrophobicContact CG2-CG 4.06Å
380	D	84.2	Confident	77.8	Confident	54 Å²	54	61.7 Å²	61.7	29%	0.289	33%	0.331	S	S	.	.	H	α-helix	trans	-55	-50.9	176.8	-62.2	-24.9	0	0	0	110.7	E376 I382 L383 D384 R412	E376-D380 VanDerWaalsContact O-CG 3.31Å; E376-D380 PolarHBondContact O-N 3.44Å; D380-I382 VanDerWaalsContact C-N 3.3Å; D380-I382 PolarHBondContact O-N 3.23Å; D380-L383 PolarHBondContact O-N 3.14Å; D380-D384 VanDerWaalsContact O-CG 3.25Å; D380-D384 PolarHBondContact O-N 3Å; D380-R412 IonicContact OD1-CZ 2.62Å; D380-R412 IonicContact OD1-NH1 3.87Å; D380-R412 PolarHBondContact OD1-NH1 2.94Å; D380-R412 IonicContact OD1-NH2 3.87Å; D380-R412 PolarHBondContact OD1-NH2 2.93Å
381	R	78.3	Confident	78.6	Confident	113 Å²	113	63.9 Å²	63.9	43%	0.426	35%	0.349	S	S	.	.	H	α-helix	trans	-57.7	-36.8	175.2	-75.9	179.2	173.7	-147.2	-3.2	113.9	G377 V379 G385 T386 L388	G377-R381 WeakPolarHBondContact O-CD 3.44Å; G377-R381 WeakPolarHBondContact O-CG 3.5Å; V379-R381 VanDerWaalsContact C-N 3.34Å; V379-R381 PolarHBondContact O-N 2.76Å; R381-G385 PolarHBondContact O-N 3.25Å; R381-T386 HydrophobicContact CB-CG2 4.49Å; R381-T386 HydrophobicContact CG-CG2 4.44Å; R381-T386 WeakPolarHBondContact O-CA 3.47Å; R381-T386 WeakPolarHBondContact O-CB 3.18Å; R381-T386 PolarHBondContact O-N 3.16Å; R381-L388 HydrophobicContact CB-CD2 3.96Å
382	I	86.3	Confident	79	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-68.5	-42.1	176.1	-71	165.2	0	0	0	110.8	C378 V379 D380 G385 L388 M396 L413 F426 F433	C378-I382 WeakPolarHBondContact O-CD1 3.22Å; C378-I382 VanDerWaalsContact O-CG1 3.22Å; C378-I382 WeakPolarHBondContact O-CG1 3.43Å; C378-I382 PolarHBondContact O-N 2.87Å; V379-I382 WeakPolarHBondContact O-CB 3.32Å; V379-I382 PolarHBondContact O-N 3.49Å; D380-I382 VanDerWaalsContact C-N 3.3Å; D380-I382 PolarHBondContact O-N 3.23Å; I382-G385 PolarHBondContact O-N 3.42Å; I382-L388 HydrophobicContact CD1-CD1 3.8Å; I382-L388 HydrophobicContact CG1-CD1 3.88Å; I382-L388 HydrophobicContact CG1-CG 4.18Å; I382-M396 HydrophobicContact CD1-CE 4.02Å; I382-M396 HydrophobicContact CD1-CG 4.4Å; I382-L413 HydrophobicContact CG2-CD2 4.02Å; I382-F426 HydrophobicContact CG2-CD1 3.6Å; I382-F426 HydrophobicContact CG2-CE1 3.6Å; I382-F426 HydrophobicContact CG2-CG 4.25Å; I382-F426 HydrophobicContact CG2-CZ 4.21Å; I382-F433 HydrophobicContact CD1-CD1 4.08Å; I382-F433 HydrophobicContact CD1-CD2 3.97Å; I382-F433 HydrophobicContact CD1-CE1 3.79Å; I382-F433 HydrophobicContact CD1-CE2 3.6Å; I382-F433 HydrophobicContact CD1-CG 4.19Å; I382-F433 HydrophobicContact CD1-CZ 3.53Å; I382-F433 HydrophobicContact CG1-CE1 4.41Å; I382-F433 HydrophobicContact CG2-CD1 4.35Å; I382-F433 HydrophobicContact CG2-CE1 3.64Å; I382-F433 HydrophobicContact CG2-CZ 4.07Å
383	L	89.6	Confident	79.3	Confident	50 Å²	50	55.9 Å²	55.9	26%	0.262	31%	0.312	S	S	.	.	H	α-helix	trans	-66.4	-39.2	178.4	-64.8	178.1	0	0	0	111.6	V379 D380 G385 L413 A416 F426	V379-L383 HydrophobicContact CG1-CD1 3.85Å; V379-L383 HydrophobicContact CG1-CG 4.18Å; V379-L383 WeakPolarHBondContact O-CG 3.31Å; V379-L383 PolarHBondContact O-N 3.08Å; D380-L383 PolarHBondContact O-N 3.14Å; L383-G385 PolarHBondContact O-N 2.87Å; L383-L413 HydrophobicContact CD2-CD2 4.38Å; L383-A416 HydrophobicContact CD2-CB 3.3Å; L383-F426 HydrophobicContact CD2-CE1 4.12Å; L383-F426 HydrophobicContact CD2-CZ 3.92Å
384	D	86.5	Confident	79.6	Confident	126 Å²	126	52.4 Å²	52.4	67%	0.674	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-4.5	174.2	-63.1	-24.6	0	0	0	113.5	D380 T386	D380-D384 VanDerWaalsContact O-CG 3.25Å; D380-D384 PolarHBondContact O-N 3Å; D384-T386 VanDerWaalsContact C-N 3.32Å; D384-T386 PolarHBondContact O-N 3.4Å
385	G	78.9	Confident	79.9	Confident	19 Å²	19	52.7 Å²	52.7	20%	0.196	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	72	22.3	-177.1	0	0	0	0	0	114.3	R381 I382 L383 T429	R381-G385 PolarHBondContact O-N 3.25Å; I382-G385 PolarHBondContact O-N 3.42Å; L383-G385 PolarHBondContact O-N 2.87Å; G385-T429 WeakPolarHBondContact O-CG2 3.25Å
386	T	79.1	Confident	80.2	Confident	62 Å²	62	52.5 Å²	52.5	38%	0.38	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-84.5	137.6	175.3	-63.2	0	0	0	0	110.8	R381 D384 N430	R381-T386 HydrophobicContact CB-CG2 4.49Å; R381-T386 HydrophobicContact CG-CG2 4.44Å; R381-T386 WeakPolarHBondContact O-CA 3.47Å; R381-T386 WeakPolarHBondContact O-CB 3.18Å; R381-T386 PolarHBondContact O-N 3.16Å; D384-T386 VanDerWaalsContact C-N 3.32Å; D384-T386 PolarHBondContact O-N 3.4Å; T386-N430 PolarHBondContact O-ND2 3.3Å
387	T	77	Confident	80.6	Confident	72 Å²	72	49.5 Å²	49.5	44%	0.442	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-71	129.1	176.6	56.5	0	0	0	0	111.2	T429	T387-T429 WeakPolarHBondContact CG2-O 3.42Å
388	L	68.3	Low	80.9	Confident	20 Å²	20	52.6 Å²	52.6	11%	0.105	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-75.5	155.1	171	-63.7	-177.4	0	0	0	112.1	C378 R381 I382 K392 M396 N430	C378-L388 HydrophobicContact CB-CD1 4.41Å; C378-L388 HydrophobicContact CB-CD2 4.24Å; R381-L388 HydrophobicContact CB-CD2 3.96Å; I382-L388 HydrophobicContact CD1-CD1 3.8Å; I382-L388 HydrophobicContact CG1-CD1 3.88Å; I382-L388 HydrophobicContact CG1-CG 4.18Å; L388-K392 HydrophobicContact CB-CB 4.17Å; L388-K392 HydrophobicContact CD1-CB 4.46Å; L388-K392 HydrophobicContact CD2-CB 4.44Å; L388-M396 HydrophobicContact CD1-CB 4.23Å; L388-M396 HydrophobicContact CD1-CG 3.82Å; L388-N430 PolarHBondContact N-OD1 3.43Å
389	T	76.8	Confident	81.2	Confident	72 Å²	72	52.8 Å²	52.8	44%	0.442	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-68.6	157.1	165.9	58.8	0	0	0	0	110	S391 K392 S393	T389-S391 VanDerWaalsContact C-N 3.32Å; T389-S391 PolarHBondContact O-N 2.91Å; T389-S391 PolarHBondContact OG1-OG 3.35Å; T389-K392 CarbonylContact O-C 3.47Å; T389-K392 PolarHBondContact O-N 2.62Å; T389-K392 WeakPolarHBondContact OG1-CB 3.22Å; T389-K392 WeakPolarHBondContact OG1-CG 3.37Å; T389-K392 PolarHBondContact OG1-N 3.5Å; T389-S393 WeakPolarHBondContact O-CB 3.37Å; T389-S393 PolarHBondContact O-N 2.85Å
390	T	73.1	Confident	81.3	Confident	101 Å²	101	52.8 Å²	52.8	62%	0.62	29%	0.29	S	S	*	.	H	α-helix	trans	-52	-49	-179.6	-44.4	0	0	0	0	112.1	K392 S393 D394	T390-K392 PolarHBondContact O-N 3.29Å; T390-S393 WeakPolarHBondContact O-CB 3.3Å; T390-S393 PolarHBondContact O-N 3.32Å; T390-S393 VanDerWaalsContact O-N 3.13Å; T390-D394 PolarHBondContact O-N 2.78Å
391	S	73.2	Confident	81.4	Confident	85 Å²	85	56.2 Å²	56.2	59%	0.594	30%	0.299	S	S	*	.	H	α-helix	trans	-58	-41.3	176.9	52.6	0	0	0	0	113.9	T389 M395	T389-S391 VanDerWaalsContact C-N 3.32Å; T389-S391 PolarHBondContact O-N 2.91Å; T389-S391 PolarHBondContact OG1-OG 3.35Å; S391-M395 VanDerWaalsContact O-CB 3.25Å; S391-M395 WeakPolarHBondContact O-CB 3.41Å; S391-M395 PolarHBondContact O-N 2.91Å
392	K	76.9	Confident	81.6	Confident	63 Å²	63	54.9 Å²	54.9	27%	0.274	30%	0.303	S	S	.	.	H	α-helix	trans	-74	-32.7	176.6	-72	-176.8	170.5	-159.4	0	112.1	L388 T389 T390 M396	L388-K392 HydrophobicContact CB-CB 4.17Å; L388-K392 HydrophobicContact CD1-CB 4.46Å; L388-K392 HydrophobicContact CD2-CB 4.44Å; T389-K392 CarbonylContact O-C 3.47Å; T389-K392 PolarHBondContact O-N 2.62Å; T389-K392 WeakPolarHBondContact OG1-CB 3.22Å; T389-K392 WeakPolarHBondContact OG1-CG 3.37Å; T389-K392 PolarHBondContact OG1-N 3.5Å; T390-K392 PolarHBondContact O-N 3.29Å; K392-M396 VanDerWaalsContact O-CB 3.32Å; K392-M396 WeakPolarHBondContact O-CB 3.37Å; K392-M396 VanDerWaalsContact O-CG 3.24Å; K392-M396 WeakPolarHBondContact O-CG 3.38Å; K392-M396 PolarHBondContact O-N 3.41Å
393	S	80.8	Confident	81.5	Confident	14 Å²	14	55.5 Å²	55.5	10%	0.098	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-47.1	173.8	-174.1	0	0	0	0	111.2	T389 T390 M396 I397	T389-S393 WeakPolarHBondContact O-CB 3.37Å; T389-S393 PolarHBondContact O-N 2.85Å; T390-S393 WeakPolarHBondContact O-CB 3.3Å; T390-S393 PolarHBondContact O-N 3.32Å; T390-S393 VanDerWaalsContact O-N 3.13Å; S393-M396 PolarHBondContact O-N 3.24Å; S393-I397 WeakPolarHBondContact O-CB 3.18Å; S393-I397 WeakPolarHBondContact O-CD1 3.46Å; S393-I397 WeakPolarHBondContact O-CG1 3.24Å; S393-I397 PolarHBondContact O-N 3.48Å
394	D	79.5	Confident	81	Confident	80 Å²	80	59.1 Å²	59.1	43%	0.428	33%	0.327	S	S	.	.	H	α-helix	trans	-67.1	-40.8	178.8	-64.5	-33.5	0	0	0	111.5	T390 M396 I397 Q398	T390-D394 PolarHBondContact O-N 2.78Å; D394-M396 PolarHBondContact O-N 3.36Å; D394-I397 PolarHBondContact O-N 2.89Å; D394-Q398 PolarHBondContact O-N 3.14Å
395	M	82.1	Confident	80.6	Confident	61 Å²	61	56.8 Å²	56.8	30%	0.3	31%	0.314	S	S	.	.	H	α-helix	trans	-56.1	-48.6	169.5	-178.3	-172.9	-72	0	0	111.9	L370 V374 S391 I397 Q398 F399	L370-M395 HydrophobicContact CD2-CE 4.37Å; L370-M395 HydrophobicContact CD2-CG 3.45Å; L370-M395 VanDerWaalsContact CD2-CG 3.45Å; L370-M395 HydrophobicContact CD2-SD 3.96Å; V374-M395 HydrophobicContact CG1-SD 4Å; S391-M395 VanDerWaalsContact O-CB 3.25Å; S391-M395 WeakPolarHBondContact O-CB 3.41Å; S391-M395 PolarHBondContact O-N 2.91Å; M395-I397 PolarHBondContact O-N 3.47Å; M395-Q398 PolarHBondContact O-N 2.82Å; M395-F399 WeakPolarHBondContact O-CB 3.45Å; M395-F399 PolarHBondContact O-N 3.16Å
396	M	84.4	Confident	80.6	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-70.1	-29.4	179.3	-73.5	-57.6	-66.5	0	0	112.9	I375 C378 V379 I382 L388 K392 S393 D394 F399 V400 L413 F433	I375-M396 HydrophobicContact CG2-CE 4.28Å; I375-M396 HydrophobicContact CG2-SD 4.1Å; C378-M396 HydrophobicContact CB-CE 4.43Å; C378-M396 HydrophobicContact CB-CG 3.68Å; C378-M396 HydrophobicContact CB-SD 3.63Å; V379-M396 HydrophobicContact CG2-CE 3.58Å; I382-M396 HydrophobicContact CD1-CE 4.02Å; I382-M396 HydrophobicContact CD1-CG 4.4Å; L388-M396 HydrophobicContact CD1-CB 4.23Å; L388-M396 HydrophobicContact CD1-CG 3.82Å; K392-M396 VanDerWaalsContact O-CB 3.32Å; K392-M396 WeakPolarHBondContact O-CB 3.37Å; K392-M396 VanDerWaalsContact O-CG 3.24Å; K392-M396 WeakPolarHBondContact O-CG 3.38Å; K392-M396 PolarHBondContact O-N 3.41Å; S393-M396 PolarHBondContact O-N 3.24Å; D394-M396 PolarHBondContact O-N 3.36Å; M396-F399 HydrophobicContact CE-CD1 3.72Å; M396-F399 HydrophobicContact CE-CE1 4.16Å; M396-F399 HydrophobicContact SD-CD1 4.2Å; M396-V400 WeakPolarHBondContact O-CB 3.42Å; M396-V400 WeakPolarHBondContact O-CG2 3.45Å; M396-V400 PolarHBondContact O-N 2.65Å; M396-L413 HydrophobicContact CE-CD1 4.39Å; M396-F433 HydrophobicContact CB-CD2 3.81Å; M396-F433 HydrophobicContact CB-CE2 4.24Å; M396-F433 HydrophobicContact CE-CE2 4.13Å
397	I	88.5	Confident	80.8	Confident	19 Å²	19	60.6 Å²	60.6	10%	0.097	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-41	170.6	-71.6	159.6	0	0	0	110.5	S393 D394 M395 R401 K432 F433 A436	S393-I397 WeakPolarHBondContact O-CB 3.18Å; S393-I397 WeakPolarHBondContact O-CD1 3.46Å; S393-I397 WeakPolarHBondContact O-CG1 3.24Å; S393-I397 PolarHBondContact O-N 3.48Å; D394-I397 PolarHBondContact O-N 2.89Å; M395-I397 PolarHBondContact O-N 3.47Å; I397-R401 WeakPolarHBondContact O-CB 3.4Å; I397-R401 WeakPolarHBondContact O-CG 3.48Å; I397-R401 PolarHBondContact O-N 3.34Å; I397-K432 HydrophobicContact CD1-CB 3.72Å; I397-F433 HydrophobicContact CG1-CB 4.29Å; I397-A436 HydrophobicContact CG1-CB 4.24Å; I397-A436 HydrophobicContact CG2-CB 4.06Å
398	Q	87.1	Confident	81.2	Confident	93 Å²	93	61.4 Å²	61.4	44%	0.435	34%	0.337	S	S	.	.	H	α-helix	trans	-65.7	-51.4	175.4	-174	171.9	-2.4	0	0	110.8	D394 M395 V400 R401 T402	D394-Q398 PolarHBondContact O-N 3.14Å; M395-Q398 PolarHBondContact O-N 2.82Å; Q398-V400 PolarHBondContact O-N 3.18Å; Q398-R401 PolarHBondContact O-N 2.82Å; Q398-T402 PolarHBondContact O-N 3.48Å; Q398-T402 PolarHBondContact O-OG1 3.04Å
399	F	86.6	Confident	82.1	Confident	5 Å²	5	61.1 Å²	61.1	2%	0.022	34%	0.335	C	S	.	.	H	α-helix	trans	-51.3	-53.1	173.3	168.7	-101.3	0	0	0	111.5	L370 I375 M395 M396 R401 T402 A403 H407 Q409	L370-F399 HydrophobicContact CD1-CB 4.2Å; I375-F399 HydrophobicContact CD1-CD2 3.57Å; I375-F399 HydrophobicContact CD1-CE2 3.84Å; I375-F399 HydrophobicContact CD1-CG 4.35Å; I375-F399 HydrophobicContact CG1-CD2 4.19Å; I375-F399 HydrophobicContact CG2-CD1 4.09Å; I375-F399 HydrophobicContact CG2-CD2 4.06Å; I375-F399 HydrophobicContact CG2-CE1 3.9Å; I375-F399 HydrophobicContact CG2-CE2 3.86Å; I375-F399 HydrophobicContact CG2-CG 4.19Å; I375-F399 HydrophobicContact CG2-CZ 3.78Å; M395-F399 WeakPolarHBondContact O-CB 3.45Å; M395-F399 PolarHBondContact O-N 3.16Å; M396-F399 HydrophobicContact CE-CD1 3.72Å; M396-F399 HydrophobicContact CE-CE1 4.16Å; M396-F399 HydrophobicContact SD-CD1 4.2Å; F399-R401 PolarHBondContact O-N 3.11Å; F399-T402 PolarHBondContact O-N 3.45Å; F399-A403 HydrophobicContact CD2-CB 3.64Å; F399-A403 HydrophobicContact CE2-CB 3.41Å; F399-A403 VanDerWaalsContact CE2-CB 3.41Å; F399-A403 HydrophobicContact CG-CB 4.3Å; F399-A403 HydrophobicContact CZ-CB 3.89Å; F399-A403 WeakPolarHBondContact O-CB 3.24Å; F399-A403 PolarHBondContact O-N 3.33Å; F399-H407 AromaticContact CE2-CE1 3.61Å; F399-H407 AromaticContact CE2-CG 3.97Å; F399-H407 AromaticContact CE2-ND1 3.58Å; F399-H407 AromaticContact CE2-NE2 3.97Å; F399-H407 AromaticContact CZ-CE1 3.89Å; F399-H407 AromaticContact CZ-ND1 3.49Å; F399-H407 WeakPolarHBondContact CZ-ND1 3.49Å; F399-Q409 HydrophobicContact CZ-CB 4.06Å
400	V	89.5	Confident	82.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.2	-25.4	179	161.7	0	0	0	0	112.5	M396 Q398 Y410 L413 F433 A436 F437 R440	M396-V400 WeakPolarHBondContact O-CB 3.42Å; M396-V400 WeakPolarHBondContact O-CG2 3.45Å; M396-V400 PolarHBondContact O-N 2.65Å; Q398-V400 PolarHBondContact O-N 3.18Å; V400-Y410 HydrophobicContact CG1-CE2 4.36Å; V400-L413 HydrophobicContact CG2-CD1 4.29Å; V400-F433 HydrophobicContact CG2-CD2 4.11Å; V400-F433 HydrophobicContact CG2-CE2 3.46Å; V400-F433 VanDerWaalsContact CG2-CE2 3.46Å; V400-F433 HydrophobicContact CG2-CZ 4.28Å; V400-A436 HydrophobicContact CG1-CB 4.41Å; V400-F437 VanDerWaalsContact CG1-CA 3.42Å; V400-F437 HydrophobicContact CG1-CB 3.84Å; V400-F437 HydrophobicContact CG1-CD2 4.24Å; V400-F437 HydrophobicContact CG2-CD2 4.38Å; V400-R440 WeakPolarHBondContact O-CD 3.44Å; V400-R440 PolarHBondContact O-NH1 2.88Å
401	R	86.4	Confident	83.3	Confident	126 Å²	126	55.9 Å²	55.9	48%	0.475	30%	0.3	S	S	.	.	H	α-helix	trans	-82.6	-32.1	174.7	-79.8	174.2	161.6	-179.7	-7.4	113.9	I397 Q398 F399 R440 E478	I397-R401 WeakPolarHBondContact O-CB 3.4Å; I397-R401 WeakPolarHBondContact O-CG 3.48Å; I397-R401 PolarHBondContact O-N 3.34Å; Q398-R401 PolarHBondContact O-N 2.82Å; F399-R401 PolarHBondContact O-N 3.11Å; R401-R440 PolarHBondContact O-NH1 3.16Å; R401-E478 IonicContact CZ-OE1 2.75Å; R401-E478 IonicContact NH2-OE1 3.58Å; R401-E478 PolarHBondContact NH2-OE1 3.27Å; R401-E478 IonicContact NH2-OE2 2.6Å
402	T	83.1	Confident	84.1	Confident	84 Å²	84	55.6 Å²	55.6	52%	0.515	29%	0.286	S	S	.	.	H	α-helix	trans	-107.4	-32.7	-171.1	60.2	0	0	0	0	115.1	Q398 F399	Q398-T402 PolarHBondContact O-N 3.48Å; Q398-T402 PolarHBondContact O-OG1 3.04Å; F399-T402 PolarHBondContact O-N 3.45Å
403	A	83.6	Confident	84.8	Confident	13 Å²	13	52.6 Å²	52.6	11%	0.107	27%	0.273	C	S	.	.	S	Bend	trans	-58.8	151.5	-173.1	0	0	0	0	0	112.6	F399 H407 R440	F399-A403 HydrophobicContact CD2-CB 3.64Å; F399-A403 HydrophobicContact CE2-CB 3.41Å; F399-A403 VanDerWaalsContact CE2-CB 3.41Å; F399-A403 HydrophobicContact CG-CB 4.3Å; F399-A403 HydrophobicContact CZ-CB 3.89Å; F399-A403 WeakPolarHBondContact O-CB 3.24Å; F399-A403 PolarHBondContact O-N 3.33Å; A403-H407 HydrophobicContact CB-CB 4.41Å; A403-R440 PolarHBondContact O-NH1 2.89Å; A403-R440 PolarHBondContact O-NH2 3.16Å
404	L	79.7	Confident	85.3	Confident	126 Å²	126	54.2 Å²	54.2	66%	0.66	28%	0.28	S	S	*	.			trans	-64.7	144.4	172.9	-65.3	172.4	0	0	0	110.2	T406 H407	L404-T406 PolarHBondContact O-N 2.87Å; L404-H407 WeakPolarHBondContact O-CB 3.38Å; L404-H407 PolarHBondContact O-N 3.35Å
405	I	77.6	Confident	85.8	Confident	77 Å²	77	56.2 Å²	56.2	40%	0.395	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.7	177.4	-63.7	173	0	0	0	110.9	H407 Y410	I405-H407 PolarHBondContact O-N 2.78Å; I405-Y410 HydrophobicContact CB-CE1 4.44Å; I405-Y410 HydrophobicContact CG1-CE1 4.33Å; I405-Y410 HydrophobicContact CG2-CD1 4.33Å; I405-Y410 HydrophobicContact CG2-CE1 4.13Å
406	T	79.3	Confident	86.2	Confident	121 Å²	121	54 Å²	54	74%	0.742	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	4.9	174.7	57.6	0	0	0	0	114.2	L404	L404-T406 PolarHBondContact O-N 2.87Å
407	H	83.6	Confident	86.5	Confident	40 Å²	40	54.2 Å²	54.2	19%	0.185	28%	0.281	C	S	.	.			trans	-69.2	131.6	178.2	-171.5	-81.3	0	0	0	110.2	D372 F399 A403 L404 I405 Q409 Y410 D411	D372-H407 IonicContact OD1-CE1 2.71Å; D372-H407 IonicContact OD1-NE2 3.98Å; D372-H407 PolarHBondContact OD1-NE2 3.33Å; F399-H407 AromaticContact CE2-CE1 3.61Å; F399-H407 AromaticContact CE2-CG 3.97Å; F399-H407 AromaticContact CE2-ND1 3.58Å; F399-H407 AromaticContact CE2-NE2 3.97Å; F399-H407 AromaticContact CZ-CE1 3.89Å; F399-H407 AromaticContact CZ-ND1 3.49Å; F399-H407 WeakPolarHBondContact CZ-ND1 3.49Å; A403-H407 HydrophobicContact CB-CB 4.41Å; L404-H407 WeakPolarHBondContact O-CB 3.38Å; L404-H407 PolarHBondContact O-N 3.35Å; I405-H407 PolarHBondContact O-N 2.78Å; H407-Q409 VanDerWaalsContact C-N 3.32Å; H407-Q409 PolarHBondContact ND1-N 3.17Å; H407-Q409 PolarHBondContact O-N 2.9Å; H407-Y410 WeakPolarHBondContact O-CA 3.4Å; H407-Y410 WeakPolarHBondContact O-CB 3.06Å; H407-Y410 PolarHBondContact O-N 2.91Å; H407-D411 PolarHBondContact O-N 2.91Å
408	P	85.3	Confident	86.5	Confident	89 Å²	89	58.2 Å²	58.2	58%	0.578	31%	0.305	S	S	*	.	H	α-helix	trans	-52.5	-46.5	-173.8	-28.6	35	0	0	0	113.7	Y410 D411 R412	P408-Y410 VanDerWaalsContact C-N 3.32Å; P408-Y410 PolarHBondContact O-N 3.46Å; P408-D411 PolarHBondContact O-N 3.32Å; P408-R412 WeakPolarHBondContact O-CG 3.42Å; P408-R412 PolarHBondContact O-N 3.4Å
409	Q	86.6	Confident	86.7	Confident	14 Å²	14	59 Å²	59	7%	0.065	31%	0.312	C	S	.	.	H	α-helix	trans	-70.9	-23	178.9	-55.1	-58.3	-19	0	0	113.6	I375 E376 V379 F399 H407 L413	I375-Q409 HydrophobicContact CG2-CB 3.74Å; I375-Q409 HydrophobicContact CG2-CG 4.01Å; E376-Q409 HydrophobicContact CB-CG 4.47Å; E376-Q409 PolarHBondContact OE1-NE2 3.47Å; V379-Q409 HydrophobicContact CG2-CB 4.1Å; F399-Q409 HydrophobicContact CZ-CB 4.06Å; H407-Q409 VanDerWaalsContact C-N 3.32Å; H407-Q409 PolarHBondContact ND1-N 3.17Å; H407-Q409 PolarHBondContact O-N 2.9Å; Q409-L413 WeakPolarHBondContact O-CG 3.42Å
410	Y	87.2	Confident	86.9	Confident	1 Å²	1	62.3 Å²	62.3	0%	0.004	33%	0.33	C	S	.	.	H	α-helix	trans	-79	-39.5	172	-169.3	-81.2	0	0	0	110.7	V400 I405 H407 P408 L413 L414 F437	V400-Y410 HydrophobicContact CG1-CE2 4.36Å; I405-Y410 HydrophobicContact CB-CE1 4.44Å; I405-Y410 HydrophobicContact CG1-CE1 4.33Å; I405-Y410 HydrophobicContact CG2-CD1 4.33Å; I405-Y410 HydrophobicContact CG2-CE1 4.13Å; H407-Y410 WeakPolarHBondContact O-CA 3.4Å; H407-Y410 WeakPolarHBondContact O-CB 3.06Å; H407-Y410 PolarHBondContact O-N 2.91Å; P408-Y410 VanDerWaalsContact C-N 3.32Å; P408-Y410 PolarHBondContact O-N 3.46Å; Y410-L413 WeakPolarHBondContact O-CB 3.06Å; Y410-L413 PolarHBondContact O-N 3.45Å; Y410-L414 PolarHBondContact O-N 2.8Å; Y410-F437 HydrophobicContact CE2-CD2 4.45Å
411	D	87.9	Confident	86.8	Confident	62 Å²	62	68.8 Å²	68.8	33%	0.332	36%	0.36	S	S	.	.	H	α-helix	trans	-63.7	-39.5	175.4	-170.7	56.4	0	0	0	111.6	H407 P408 L413 L414 Q415	H407-D411 PolarHBondContact O-N 2.91Å; P408-D411 PolarHBondContact O-N 3.32Å; D411-L413 VanDerWaalsContact C-N 3.34Å; D411-L413 PolarHBondContact O-N 3.13Å; D411-L414 WeakPolarHBondContact O-CB 3.38Å; D411-L414 PolarHBondContact O-N 3.22Å; D411-L414 VanDerWaalsContact O-N 3.1Å; D411-Q415 WeakPolarHBondContact O-CB 3.48Å; D411-Q415 VanDerWaalsContact O-CG 3.31Å; D411-Q415 WeakPolarHBondContact O-CG 3.48Å; D411-Q415 PolarHBondContact O-N 2.89Å; D411-Q415 PolarHBondContact OD2-NE2 3.14Å
412	R	91.4	Very high	87	Confident	80 Å²	80	65 Å²	65	30%	0.302	35%	0.349	S	S	.	.	H	α-helix	trans	-55.7	-45.5	170.9	-72.6	178	74.8	-151.8	3	112.5	E376 V379 D380 P408 A416	E376-R412 IonicContact OE1-NH1 2.77Å; V379-R412 HydrophobicContact CG1-CB 4.32Å; D380-R412 IonicContact OD1-CZ 2.62Å; D380-R412 IonicContact OD1-NH1 3.87Å; D380-R412 PolarHBondContact OD1-NH1 2.94Å; D380-R412 IonicContact OD1-NH2 3.87Å; D380-R412 PolarHBondContact OD1-NH2 2.93Å; P408-R412 WeakPolarHBondContact O-CG 3.42Å; P408-R412 PolarHBondContact O-N 3.4Å; R412-A416 WeakPolarHBondContact O-CB 3.43Å; R412-A416 PolarHBondContact O-N 3.42Å
413	L	91.1	Very high	87.4	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.3	-38.2	175.3	-68.8	169.3	0	0	0	112	V379 I382 L383 M396 V400 Q409 Y410 D411 A416 S417 F426 F433 F437	V379-L413 HydrophobicContact CG1-CD2 4.03Å; V379-L413 HydrophobicContact CG1-CG 4.11Å; V379-L413 HydrophobicContact CG2-CD1 3.97Å; V379-L413 HydrophobicContact CG2-CD2 4.31Å; V379-L413 HydrophobicContact CG2-CG 4.06Å; I382-L413 HydrophobicContact CG2-CD2 4.02Å; L383-L413 HydrophobicContact CD2-CD2 4.38Å; M396-L413 HydrophobicContact CE-CD1 4.39Å; V400-L413 HydrophobicContact CG2-CD1 4.29Å; Q409-L413 WeakPolarHBondContact O-CG 3.42Å; Y410-L413 WeakPolarHBondContact O-CB 3.06Å; Y410-L413 PolarHBondContact O-N 3.45Å; D411-L413 VanDerWaalsContact C-N 3.34Å; D411-L413 PolarHBondContact O-N 3.13Å; L413-A416 PolarHBondContact O-N 2.92Å; L413-S417 WeakPolarHBondContact O-CB 3.37Å; L413-S417 PolarHBondContact O-N 3.41Å; L413-F426 HydrophobicContact CD2-CZ 4.39Å; L413-F433 HydrophobicContact CD1-CE2 4.13Å; L413-F433 HydrophobicContact CD1-CZ 3.81Å; L413-F433 HydrophobicContact CD2-CZ 3.95Å; L413-F437 HydrophobicContact CB-CD2 4.4Å; L413-F437 HydrophobicContact CB-CE2 3.69Å; L413-F437 HydrophobicContact CB-CZ 4.05Å
414	L	91.3	Very high	87.7	Confident	47 Å²	47	62 Å²	62	25%	0.246	33%	0.328	C	S	.	.	H	α-helix	trans	-65	-49.2	177.3	-173.3	61.9	0	0	0	111.5	Y410 D411 A416 S417 V418 N441	Y410-L414 PolarHBondContact O-N 2.8Å; D411-L414 WeakPolarHBondContact O-CB 3.38Å; D411-L414 PolarHBondContact O-N 3.22Å; D411-L414 VanDerWaalsContact O-N 3.1Å; L414-A416 VanDerWaalsContact C-N 3.35Å; L414-A416 PolarHBondContact O-N 3.07Å; L414-S417 PolarHBondContact O-N 2.96Å; L414-S417 VanDerWaalsContact O-N 3.13Å; L414-S417 PolarHBondContact O-OG 2.93Å; L414-V418 PolarHBondContact O-N 3.48Å; L414-N441 VanDerWaalsContact CD1-ND2 3.34Å; L414-N441 WeakPolarHBondContact CD1-ND2 3.44Å; L414-N441 WeakPolarHBondContact CD1-OD1 3.32Å
415	Q	90.5	Very high	88.1	Confident	122 Å²	122	57.1 Å²	57.1	57%	0.57	31%	0.305	S	S	*	.	H	α-helix	trans	-57.7	-44.9	174	-69	-179.2	25.2	0	0	111.5	D411 S417 V418	D411-Q415 WeakPolarHBondContact O-CB 3.48Å; D411-Q415 VanDerWaalsContact O-CG 3.31Å; D411-Q415 WeakPolarHBondContact O-CG 3.48Å; D411-Q415 PolarHBondContact O-N 2.89Å; D411-Q415 PolarHBondContact OD2-NE2 3.14Å; Q415-S417 VanDerWaalsContact C-N 3.31Å; Q415-S417 PolarHBondContact O-N 3.38Å; Q415-V418 VanDerWaalsContact O-CB 3.29Å; Q415-V418 WeakPolarHBondContact O-CB 3.4Å; Q415-V418 VanDerWaalsContact O-CG2 3.29Å; Q415-V418 WeakPolarHBondContact O-CG2 3.5Å; Q415-V418 PolarHBondContact O-N 3.07Å
416	A	90.1	Very high	88.7	Confident	16 Å²	16	53.6 Å²	53.6	13%	0.132	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-37.2	175.8	0	0	0	0	0	112.5	L383 R412 L413 L414 V418 L419 N422 F426	L383-A416 HydrophobicContact CD2-CB 3.3Å; R412-A416 WeakPolarHBondContact O-CB 3.43Å; R412-A416 PolarHBondContact O-N 3.42Å; L413-A416 PolarHBondContact O-N 2.92Å; L414-A416 VanDerWaalsContact C-N 3.35Å; L414-A416 PolarHBondContact O-N 3.07Å; A416-V418 PolarHBondContact O-N 2.95Å; A416-V418 VanDerWaalsContact O-N 3.16Å; A416-L419 PolarHBondContact O-N 3.2Å; A416-N422 WeakPolarHBondContact O-CB 3.42Å; A416-N422 PolarHBondContact O-ND2 3.3Å; A416-F426 HydrophobicContact CB-CZ 4.15Å
417	S	90.1	Very high	89.1	Confident	4 Å²	4	47.8 Å²	47.8	3%	0.028	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-2.1	177.4	79.4	0	0	0	0	114.9	L413 L414 Q415 L419 I423 R454	L413-S417 WeakPolarHBondContact O-CB 3.37Å; L413-S417 PolarHBondContact O-N 3.41Å; L414-S417 PolarHBondContact O-N 2.96Å; L414-S417 VanDerWaalsContact O-N 3.13Å; L414-S417 PolarHBondContact O-OG 2.93Å; Q415-S417 VanDerWaalsContact C-N 3.31Å; Q415-S417 PolarHBondContact O-N 3.38Å; S417-L419 PolarHBondContact O-N 2.99Å; S417-I423 VanDerWaalsContact O-CD1 3.32Å; S417-I423 WeakPolarHBondContact O-CD1 3.45Å; S417-R454 PolarHBondContact O-NH1 3.47Å; S417-R454 PolarHBondContact O-NH2 3.46Å
418	V	88.6	Confident	89.1	Confident	102 Å²	102	53 Å²	53	62%	0.618	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.8	167.2	179.5	0	0	0	0	110.7	L414 Q415 A416 R454	L414-V418 PolarHBondContact O-N 3.48Å; Q415-V418 VanDerWaalsContact O-CB 3.29Å; Q415-V418 WeakPolarHBondContact O-CB 3.4Å; Q415-V418 VanDerWaalsContact O-CG2 3.29Å; Q415-V418 WeakPolarHBondContact O-CG2 3.5Å; Q415-V418 PolarHBondContact O-N 3.07Å; A416-V418 PolarHBondContact O-N 2.95Å; A416-V418 VanDerWaalsContact O-N 3.16Å; V418-R454 PolarHBondContact O-NH2 2.78Å
419	L	90.4	Very high	89.1	Confident	110 Å²	110	49.8 Å²	49.8	58%	0.576	25%	0.248	S	C	*	.	S	Bend	trans	-93.5	132.4	176	-60.1	178.1	0	0	0	112.1	A416 S417 E421 N422	A416-L419 PolarHBondContact O-N 3.2Å; S417-L419 PolarHBondContact O-N 2.99Å; L419-E421 PolarHBondContact O-N 3.23Å; L419-N422 HydrophobicContact CB-CB 4.49Å; L419-N422 PolarHBondContact O-N 3.43Å
420	D	91	Very high	89.1	Confident	74 Å²	74	49.5 Å²	49.5	40%	0.396	25%	0.247	S	C	.	.	H	α-helix	trans	-61.8	-40.4	179.6	-75.5	-15.2	0	0	0	112.4	N422 I423 I424 R454 L458	D420-N422 VanDerWaalsContact C-N 3.29Å; D420-N422 PolarHBondContact O-N 3.48Å; D420-I423 PolarHBondContact O-N 2.9Å; D420-I424 WeakPolarHBondContact O-CG1 3.29Å; D420-I424 PolarHBondContact O-N 3.46Å; D420-R454 IonicContact OD1-CZ 3.56Å; D420-R454 IonicContact OD1-NE 2.76Å; D420-R454 PolarHBondContact OD1-NE 2.88Å; D420-R454 IonicContact OD1-NH2 2.72Å; D420-R454 PolarHBondContact OD1-NH2 3.18Å; D420-L458 HydrophobicContact CB-CD1 4.24Å; D420-L458 HydrophobicContact CB-CD2 3.6Å
421	E	88.7	Confident	89.1	Confident	137 Å²	137	50.5 Å²	50.5	64%	0.64	25%	0.253	S	S	*	.	H	α-helix	trans	-58.3	-37.6	177.7	-64.1	-57.6	145.5	0	0	113	L419 I424 S425	L419-E421 PolarHBondContact O-N 3.23Å; E421-I424 PolarHBondContact O-N 2.69Å; E421-S425 WeakPolarHBondContact O-CB 3.27Å; E421-S425 PolarHBondContact O-N 2.92Å
422	N	90.4	Very high	89	Confident	46 Å²	46	52.7 Å²	52.7	25%	0.246	26%	0.259	C	S	.	.	H	α-helix	trans	-68.7	-40.3	179.1	-69.2	-14.1	0	0	0	110.9	A416 L419 D420 S425 F426	A416-N422 WeakPolarHBondContact O-CB 3.42Å; A416-N422 PolarHBondContact O-ND2 3.3Å; L419-N422 HydrophobicContact CB-CB 4.49Å; L419-N422 PolarHBondContact O-N 3.43Å; D420-N422 VanDerWaalsContact C-N 3.29Å; D420-N422 PolarHBondContact O-N 3.48Å; N422-S425 WeakPolarHBondContact O-CB 3.22Å; N422-S425 PolarHBondContact O-N 3.39Å; N422-F426 HydrophobicContact CB-CE1 4.41Å; N422-F426 HydrophobicContact CB-CZ 4.28Å; N422-F426 WeakPolarHBondContact O-CD1 3.12Å; N422-F426 WeakPolarHBondContact O-CG 3.13Å; N422-F426 PolarHBondContact O-N 3.02Å
423	I	90.8	Very high	89.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.3	-43.2	174.3	-66.3	160.4	0	0	0	110.7	S417 D420 S425 F426 I427 L438 Y455 L458	S417-I423 VanDerWaalsContact O-CD1 3.32Å; S417-I423 WeakPolarHBondContact O-CD1 3.45Å; D420-I423 PolarHBondContact O-N 2.9Å; I423-S425 VanDerWaalsContact C-N 3.32Å; I423-S425 PolarHBondContact O-N 2.84Å; I423-F426 PolarHBondContact O-N 3.47Å; I423-I427 HydrophobicContact CG2-CD1 3.91Å; I423-I427 WeakPolarHBondContact O-CG1 3.42Å; I423-I427 PolarHBondContact O-N 3.02Å; I423-L438 HydrophobicContact CG1-CD2 4.32Å; I423-L438 HydrophobicContact CG2-CD1 4.11Å; I423-L438 HydrophobicContact CG2-CD2 3.85Å; I423-Y455 HydrophobicContact CD1-CD1 4.11Å; I423-Y455 HydrophobicContact CD1-CE1 3.64Å; I423-L458 HydrophobicContact CB-CD1 3.88Å; I423-L458 HydrophobicContact CD1-CD1 3.71Å; I423-L458 HydrophobicContact CG1-CD1 4.43Å; I423-L458 HydrophobicContact CG2-CD1 3.72Å
424	I	89.4	Confident	89	Confident	35 Å²	35	48.9 Å²	48.9	18%	0.179	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-42.6	174.9	-67.5	167.6	0	0	0	110.4	D420 E421 I427 R428 L458 V462	D420-I424 WeakPolarHBondContact O-CG1 3.29Å; D420-I424 PolarHBondContact O-N 3.46Å; E421-I424 PolarHBondContact O-N 2.69Å; I424-I427 PolarHBondContact O-N 3.5Å; I424-R428 VanDerWaalsContact O-CB 3.31Å; I424-R428 WeakPolarHBondContact O-CB 3.5Å; I424-R428 PolarHBondContact O-N 2.62Å; I424-L458 HydrophobicContact CD1-CD2 4.24Å; I424-L458 HydrophobicContact CG1-CB 4.43Å; I424-L458 HydrophobicContact CG1-CD2 4.49Å; I424-V462 HydrophobicContact CG1-CG2 4.49Å; I424-V462 HydrophobicContact CG2-CG2 4.32Å
425	S	88.3	Confident	88.9	Confident	23 Å²	23	46.7 Å²	46.7	16%	0.161	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-46	174.7	-169.4	0	0	0	0	111.9	E421 N422 I423 I427 R428 T429	E421-S425 WeakPolarHBondContact O-CB 3.27Å; E421-S425 PolarHBondContact O-N 2.92Å; N422-S425 WeakPolarHBondContact O-CB 3.22Å; N422-S425 PolarHBondContact O-N 3.39Å; I423-S425 VanDerWaalsContact C-N 3.32Å; I423-S425 PolarHBondContact O-N 2.84Å; S425-I427 PolarHBondContact O-N 3.48Å; S425-R428 PolarHBondContact O-N 3.21Å; S425-T429 WeakPolarHBondContact O-CB 3.31Å; S425-T429 VanDerWaalsContact O-CG2 3.29Å; S425-T429 WeakPolarHBondContact O-CG2 3.5Å; S425-T429 PolarHBondContact O-N 3.22Å; S425-T429 PolarHBondContact O-OG1 3.06Å
426	F	90.9	Very high	88.9	Confident	2 Å²	2	41 Å²	41	1%	0.009	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-45.9	177.3	-59.7	-11.3	0	0	0	111.3	I382 L383 L413 A416 N422 I423 R428 T429 N430 F433 A434 F437	I382-F426 HydrophobicContact CG2-CD1 3.6Å; I382-F426 HydrophobicContact CG2-CE1 3.6Å; I382-F426 HydrophobicContact CG2-CG 4.25Å; I382-F426 HydrophobicContact CG2-CZ 4.21Å; L383-F426 HydrophobicContact CD2-CE1 4.12Å; L383-F426 HydrophobicContact CD2-CZ 3.92Å; L413-F426 HydrophobicContact CD2-CZ 4.39Å; A416-F426 HydrophobicContact CB-CZ 4.15Å; N422-F426 HydrophobicContact CB-CE1 4.41Å; N422-F426 HydrophobicContact CB-CZ 4.28Å; N422-F426 WeakPolarHBondContact O-CD1 3.12Å; N422-F426 WeakPolarHBondContact O-CG 3.13Å; N422-F426 PolarHBondContact O-N 3.02Å; I423-F426 PolarHBondContact O-N 3.47Å; F426-R428 PolarHBondContact O-N 3.48Å; F426-T429 PolarHBondContact O-N 2.97Å; F426-N430 CarbonylContact O-C 3.6Å; F426-N430 VanDerWaalsContact O-C 3.23Å; F426-N430 WeakPolarHBondContact O-CA 3.35Å; F426-N430 PolarHBondContact O-N 3.28Å; F426-F433 HydrophobicContact CD2-CE1 4.48Å; F426-A434 HydrophobicContact CB-CB 3.89Å; F426-F437 HydrophobicContact CE2-CE1 4.4Å
427	I	87.1	Confident	89	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65	-39.6	177.7	-63.6	164.6	0	0	0	111	I423 I424 S425 A434 L438 V462 H467 T471	I423-I427 HydrophobicContact CG2-CD1 3.91Å; I423-I427 WeakPolarHBondContact O-CG1 3.42Å; I423-I427 PolarHBondContact O-N 3.02Å; I424-I427 PolarHBondContact O-N 3.5Å; S425-I427 PolarHBondContact O-N 3.48Å; I427-A434 HydrophobicContact CG1-CB 4.02Å; I427-L438 HydrophobicContact CD1-CD1 3.96Å; I427-L438 HydrophobicContact CG1-CD1 4.04Å; I427-V462 HydrophobicContact CB-CG2 4.28Å; I427-V462 HydrophobicContact CD1-CG2 4.26Å; I427-V462 HydrophobicContact CG2-CG1 4.06Å; I427-V462 HydrophobicContact CG2-CG2 3.99Å; I427-H467 HydrophobicContact CG2-CB 3.9Å; I427-H467 PolarHBondContact O-ND1 3.38Å; I427-T471 HydrophobicContact CD1-CG2 4.22Å; I427-T471 HydrophobicContact CG1-CG2 4.26Å
428	R	84.9	Confident	89.1	Confident	148 Å²	148	40.1 Å²	40.1	56%	0.558	20%	0.2	S	C	*	.	H	α-helix	trans	-67	-40.1	179.4	-172.6	179.1	70.7	169.3	1.7	112.5	I424 S425 F426 H467	I424-R428 VanDerWaalsContact O-CB 3.31Å; I424-R428 WeakPolarHBondContact O-CB 3.5Å; I424-R428 PolarHBondContact O-N 2.62Å; S425-R428 PolarHBondContact O-N 3.21Å; F426-R428 PolarHBondContact O-N 3.48Å; R428-H467 PolarHBondContact O-CE1 2.76Å; R428-H467 VanDerWaalsContact O-CE1 3.22Å; R428-H467 PolarHBondContact O-ND1 3.43Å
429	T	83.9	Confident	89.2	Confident	22 Å²	22	35.5 Å²	35.5	14%	0.135	17%	0.172	C	C	.	.	H	α-helix	trans	-102.6	-32.5	-166.6	61	0	0	0	0	113.1	G385 T387 S425 F426	G385-T429 WeakPolarHBondContact O-CG2 3.25Å; T387-T429 WeakPolarHBondContact CG2-O 3.42Å; S425-T429 WeakPolarHBondContact O-CB 3.31Å; S425-T429 VanDerWaalsContact O-CG2 3.29Å; S425-T429 WeakPolarHBondContact O-CG2 3.5Å; S425-T429 PolarHBondContact O-N 3.22Å; S425-T429 PolarHBondContact O-OG1 3.06Å; F426-T429 PolarHBondContact O-N 2.97Å
430	N	86.8	Confident	89.1	Confident	9 Å²	9	32.7 Å²	32.7	5%	0.048	15%	0.154	C	C	.	.			trans	-141.4	51	-169.7	-69.5	-74.9	0	0	0	111.2	T386 L388 F426 K432 F433 A434	T386-N430 PolarHBondContact O-ND2 3.3Å; L388-N430 PolarHBondContact N-OD1 3.43Å; F426-N430 CarbonylContact O-C 3.6Å; F426-N430 VanDerWaalsContact O-C 3.23Å; F426-N430 WeakPolarHBondContact O-CA 3.35Å; F426-N430 PolarHBondContact O-N 3.28Å; N430-K432 PolarHBondContact O-N 3.4Å; N430-K432 VanDerWaalsContact O-N 3.15Å; N430-F433 HydrophobicContact CB-CB 4.3Å; N430-F433 HydrophobicContact CB-CD1 4.21Å; N430-F433 WeakPolarHBondContact O-CB 3.43Å; N430-F433 PolarHBondContact O-N 2.96Å; N430-F433 VanDerWaalsContact O-N 3.08Å; N430-A434 PolarHBondContact O-N 3.42Å
431	V	87.9	Confident	89	Confident	21 Å²	21	29.8 Å²	29.8	13%	0.127	14%	0.138	C	C	.	.	H	α-helix	trans	-49.4	-43.5	-169.7	67	0	0	0	0	115.3	F433 A434 G435 H467 E470	V431-F433 PolarHBondContact O-N 3.4Å; V431-A434 PolarHBondContact O-N 2.97Å; V431-G435 PolarHBondContact O-N 2.92Å; V431-H467 HydrophobicContact CB-CB 4.25Å; V431-H467 HydrophobicContact CG2-CB 3.84Å; V431-E470 HydrophobicContact CG2-CB 4.33Å; V431-E470 HydrophobicContact CG2-CG 4.39Å
432	K	86.1	Confident	88.9	Confident	109 Å²	109	23.2 Å²	23.2	47%	0.474	11%	0.108	S	C	.	.	H	α-helix	trans	-65.3	-41.3	-178.6	-65	-172.9	178.4	-178.4	0	112.3	I397 N430 A436 K474	I397-K432 HydrophobicContact CD1-CB 3.72Å; N430-K432 PolarHBondContact O-N 3.4Å; N430-K432 VanDerWaalsContact O-N 3.15Å; K432-A436 PolarHBondContact O-N 2.98Å; K432-K474 PolarHBondContact O-NZ 2.98Å
433	F	92	Very high	88.8	Confident	0 Å²	0	22 Å²	22	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66	-50.2	172.3	158.8	-89.4	0	0	0	110.6	I382 M396 I397 V400 L413 F426 N430 V431 G435 A436 F437	I382-F433 HydrophobicContact CD1-CD1 4.08Å; I382-F433 HydrophobicContact CD1-CD2 3.97Å; I382-F433 HydrophobicContact CD1-CE1 3.79Å; I382-F433 HydrophobicContact CD1-CE2 3.6Å; I382-F433 HydrophobicContact CD1-CG 4.19Å; I382-F433 HydrophobicContact CD1-CZ 3.53Å; I382-F433 HydrophobicContact CG1-CE1 4.41Å; I382-F433 HydrophobicContact CG2-CD1 4.35Å; I382-F433 HydrophobicContact CG2-CE1 3.64Å; I382-F433 HydrophobicContact CG2-CZ 4.07Å; M396-F433 HydrophobicContact CB-CD2 3.81Å; M396-F433 HydrophobicContact CB-CE2 4.24Å; M396-F433 HydrophobicContact CE-CE2 4.13Å; I397-F433 HydrophobicContact CG1-CB 4.29Å; V400-F433 HydrophobicContact CG2-CD2 4.11Å; V400-F433 HydrophobicContact CG2-CE2 3.46Å; V400-F433 VanDerWaalsContact CG2-CE2 3.46Å; V400-F433 HydrophobicContact CG2-CZ 4.28Å; L413-F433 HydrophobicContact CD1-CE2 4.13Å; L413-F433 HydrophobicContact CD1-CZ 3.81Å; L413-F433 HydrophobicContact CD2-CZ 3.95Å; F426-F433 HydrophobicContact CD2-CE1 4.48Å; N430-F433 HydrophobicContact CB-CB 4.3Å; N430-F433 HydrophobicContact CB-CD1 4.21Å; N430-F433 WeakPolarHBondContact O-CB 3.43Å; N430-F433 PolarHBondContact O-N 2.96Å; N430-F433 VanDerWaalsContact O-N 3.08Å; V431-F433 PolarHBondContact O-N 3.4Å; F433-G435 VanDerWaalsContact C-N 3.32Å; F433-G435 PolarHBondContact O-N 2.93Å; F433-A436 WeakPolarHBondContact O-CA 3.41Å; F433-A436 WeakPolarHBondContact O-CB 3.47Å; F433-A436 PolarHBondContact O-N 3.47Å; F433-F437 HydrophobicContact CE1-CB 4.44Å; F433-F437 HydrophobicContact CZ-CB 4.32Å; F433-F437 PolarHBondContact O-N 2.62Å
434	A	90.8	Very high	88.4	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-56	-47.3	-178.9	0	0	0	0	0	111	F426 I427 N430 V431 A436 F437 L438	F426-A434 HydrophobicContact CB-CB 3.89Å; I427-A434 HydrophobicContact CG1-CB 4.02Å; N430-A434 PolarHBondContact O-N 3.42Å; V431-A434 PolarHBondContact O-N 2.97Å; A434-A436 VanDerWaalsContact C-N 3.28Å; A434-A436 PolarHBondContact O-N 2.78Å; A434-F437 PolarHBondContact O-N 3.46Å; A434-L438 WeakPolarHBondContact O-CB 3.41Å; A434-L438 WeakPolarHBondContact O-CG 3.49Å; A434-L438 PolarHBondContact O-N 3.14Å
435	G	88.3	Confident	87.8	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-29.8	175.4	0	0	0	0	0	114.3	V431 F433 V439	V431-G435 PolarHBondContact O-N 2.92Å; F433-G435 VanDerWaalsContact C-N 3.32Å; F433-G435 PolarHBondContact O-N 2.93Å; G435-V439 WeakPolarHBondContact O-CB 3.47Å; G435-V439 WeakPolarHBondContact O-CG2 3.45Å; G435-V439 PolarHBondContact O-N 3.37Å
436	A	90.1	Very high	87	Confident	2 Å²	2	36.3 Å²	36.3	2%	0.017	17%	0.171	C	C	.	.	H	α-helix	trans	-75.4	-42.2	173.9	0	0	0	0	0	112	I397 V400 K432 F433 A434 R440	I397-A436 HydrophobicContact CG1-CB 4.24Å; I397-A436 HydrophobicContact CG2-CB 4.06Å; V400-A436 HydrophobicContact CG1-CB 4.41Å; K432-A436 PolarHBondContact O-N 2.98Å; F433-A436 WeakPolarHBondContact O-CA 3.41Å; F433-A436 WeakPolarHBondContact O-CB 3.47Å; F433-A436 PolarHBondContact O-N 3.47Å; A434-A436 VanDerWaalsContact C-N 3.28Å; A434-A436 PolarHBondContact O-N 2.78Å; A436-R440 PolarHBondContact O-N 2.69Å
437	F	92.7	Very high	86.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-48.4	178.5	175.2	-99.9	0	0	0	112.2	V400 Y410 L413 F426 F433 A434 V439 R440 N441	V400-F437 VanDerWaalsContact CG1-CA 3.42Å; V400-F437 HydrophobicContact CG1-CB 3.84Å; V400-F437 HydrophobicContact CG1-CD2 4.24Å; V400-F437 HydrophobicContact CG2-CD2 4.38Å; Y410-F437 HydrophobicContact CE2-CD2 4.45Å; L413-F437 HydrophobicContact CB-CD2 4.4Å; L413-F437 HydrophobicContact CB-CE2 3.69Å; L413-F437 HydrophobicContact CB-CZ 4.05Å; F426-F437 HydrophobicContact CE2-CE1 4.4Å; F433-F437 HydrophobicContact CE1-CB 4.44Å; F433-F437 HydrophobicContact CZ-CB 4.32Å; F433-F437 PolarHBondContact O-N 2.62Å; A434-F437 PolarHBondContact O-N 3.46Å; F437-V439 PolarHBondContact O-N 2.82Å; F437-R440 PolarHBondContact O-N 3.19Å; F437-N441 VanDerWaalsContact O-CB 3.27Å; F437-N441 WeakPolarHBondContact O-CB 3.35Å; F437-N441 PolarHBondContact O-N 3.37Å
438	L	91.8	Very high	86.2	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-64.5	-39	179.6	-63.5	172.7	0	0	0	111.7	I423 I427 A434 A442 Y455 T471	I423-L438 HydrophobicContact CG1-CD2 4.32Å; I423-L438 HydrophobicContact CG2-CD1 4.11Å; I423-L438 HydrophobicContact CG2-CD2 3.85Å; I427-L438 HydrophobicContact CD1-CD1 3.96Å; I427-L438 HydrophobicContact CG1-CD1 4.04Å; A434-L438 WeakPolarHBondContact O-CB 3.41Å; A434-L438 WeakPolarHBondContact O-CG 3.49Å; A434-L438 PolarHBondContact O-N 3.14Å; L438-A442 VanDerWaalsContact O-CB 3.25Å; L438-A442 WeakPolarHBondContact O-CB 3.35Å; L438-A442 PolarHBondContact O-N 2.93Å; L438-Y455 HydrophobicContact CB-CD2 3.79Å; L438-Y455 HydrophobicContact CB-CE2 3.94Å; L438-Y455 HydrophobicContact CB-CG 4.42Å; L438-Y455 HydrophobicContact CD2-CD1 3.79Å; L438-Y455 HydrophobicContact CD2-CD2 3.82Å; L438-Y455 HydrophobicContact CD2-CE1 3.63Å; L438-Y455 HydrophobicContact CD2-CE2 3.64Å; L438-Y455 HydrophobicContact CD2-CG 3.89Å; L438-Y455 HydrophobicContact CG-CD2 4.3Å; L438-Y455 HydrophobicContact CG-CE2 4.38Å; L438-Y455 WeakPolarHBondContact O-CE2 3.43Å; L438-T471 HydrophobicContact CD1-CG2 3.91Å
439	V	90.3	Very high	86.2	Confident	5 Å²	5	34.5 Å²	34.5	3%	0.03	17%	0.174	C	C	.	.	H	α-helix	trans	-57.7	-56.7	170.9	163	0	0	0	0	110.5	G435 F437 N441 A442 L443 L475 E478	G435-V439 WeakPolarHBondContact O-CB 3.47Å; G435-V439 WeakPolarHBondContact O-CG2 3.45Å; G435-V439 PolarHBondContact O-N 3.37Å; F437-V439 PolarHBondContact O-N 2.82Å; V439-N441 VanDerWaalsContact C-N 3.35Å; V439-N441 PolarHBondContact O-N 3.04Å; V439-A442 PolarHBondContact O-N 3.14Å; V439-L443 HydrophobicContact CG1-CD1 3.64Å; V439-L443 HydrophobicContact CG1-CG 4.38Å; V439-L443 WeakPolarHBondContact O-CB 3.46Å; V439-L443 VanDerWaalsContact O-CG 3.26Å; V439-L443 WeakPolarHBondContact O-CG 3.37Å; V439-L443 PolarHBondContact O-N 2.84Å; V439-L475 HydrophobicContact CB-CD1 4.43Å; V439-L475 HydrophobicContact CG2-CB 4.42Å; V439-L475 HydrophobicContact CG2-CD1 3.76Å; V439-E478 HydrophobicContact CG1-CB 3.69Å; V439-E478 HydrophobicContact CG1-CG 4.31Å; V439-E478 HydrophobicContact CG2-CB 4.03Å; V439-E478 HydrophobicContact CG2-CG 4.35Å
440	R	88.8	Confident	86.3	Confident	52 Å²	52	38.5 Å²	38.5	20%	0.196	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-42.3	-175.5	-171.9	174.5	-171	-166	0.7	112.1	V400 R401 A403 A436 F437 L443 S444	V400-R440 WeakPolarHBondContact O-CD 3.44Å; V400-R440 PolarHBondContact O-NH1 2.88Å; R401-R440 PolarHBondContact O-NH1 3.16Å; A403-R440 PolarHBondContact O-NH1 2.89Å; A403-R440 PolarHBondContact O-NH2 3.16Å; A436-R440 PolarHBondContact O-N 2.69Å; F437-R440 PolarHBondContact O-N 3.19Å; R440-L443 PolarHBondContact O-N 2.95Å; R440-S444 WeakPolarHBondContact O-CB 3.45Å; R440-S444 PolarHBondContact O-N 3.36Å; R440-S444 PolarHBondContact O-OG 3.43Å
441	N	88.6	Confident	86.4	Confident	12 Å²	12	38.9 Å²	38.9	6%	0.064	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-50.2	179.7	-165	8.5	0	0	0	110.8	L414 F437 V439 L443 S444 E445 Y455	L414-N441 VanDerWaalsContact CD1-ND2 3.34Å; L414-N441 WeakPolarHBondContact CD1-ND2 3.44Å; L414-N441 WeakPolarHBondContact CD1-OD1 3.32Å; F437-N441 VanDerWaalsContact O-CB 3.27Å; F437-N441 WeakPolarHBondContact O-CB 3.35Å; F437-N441 PolarHBondContact O-N 3.37Å; V439-N441 VanDerWaalsContact C-N 3.35Å; V439-N441 PolarHBondContact O-N 3.04Å; N441-L443 VanDerWaalsContact C-N 3.31Å; N441-L443 PolarHBondContact O-N 3.41Å; N441-S444 PolarHBondContact O-N 3.05Å; N441-S444 VanDerWaalsContact O-N 3.1Å; N441-E445 PolarHBondContact O-N 3.12Å; N441-Y455 PolarHBondContact ND2-OH 3.29Å
442	A	88.2	Confident	86.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.5	-29	177.7	0	0	0	0	0	113.9	L438 V439 T448 L451 Y455 F479	L438-A442 VanDerWaalsContact O-CB 3.25Å; L438-A442 WeakPolarHBondContact O-CB 3.35Å; L438-A442 PolarHBondContact O-N 2.93Å; V439-A442 PolarHBondContact O-N 3.14Å; A442-T448 VanDerWaalsContact O-CA 3.3Å; A442-T448 WeakPolarHBondContact O-CA 3.34Å; A442-T448 VanDerWaalsContact O-CB 3.25Å; A442-T448 WeakPolarHBondContact O-CB 3.33Å; A442-T448 WeakPolarHBondContact O-CG2 3.29Å; A442-L451 HydrophobicContact CB-CB 3.96Å; A442-Y455 HydrophobicContact CB-CD2 4.22Å; A442-Y455 HydrophobicContact CB-CE2 3.95Å; A442-F479 HydrophobicContact CB-CE2 3.99Å; A442-F479 HydrophobicContact CB-CZ 3.69Å
443	L	86.5	Confident	86.7	Confident	21 Å²	21	35.2 Å²	35.2	11%	0.11	18%	0.178	C	C	.	.	H	α-helix	trans	-78.3	-19.5	174	-71.2	175.9	0	0	0	113.8	V439 R440 N441 F479 H482 K484	V439-L443 HydrophobicContact CG1-CD1 3.64Å; V439-L443 HydrophobicContact CG1-CG 4.38Å; V439-L443 WeakPolarHBondContact O-CB 3.46Å; V439-L443 VanDerWaalsContact O-CG 3.26Å; V439-L443 WeakPolarHBondContact O-CG 3.37Å; V439-L443 PolarHBondContact O-N 2.84Å; R440-L443 PolarHBondContact O-N 2.95Å; N441-L443 VanDerWaalsContact C-N 3.31Å; N441-L443 PolarHBondContact O-N 3.41Å; L443-F479 HydrophobicContact CD2-CD1 4.22Å; L443-F479 HydrophobicContact CD2-CD2 3.83Å; L443-F479 HydrophobicContact CD2-CE1 4.02Å; L443-F479 HydrophobicContact CD2-CE2 3.6Å; L443-F479 HydrophobicContact CD2-CG 4.13Å; L443-F479 HydrophobicContact CD2-CZ 3.7Å; L443-F479 HydrophobicContact CG-CD2 4.17Å; L443-F479 HydrophobicContact CG-CE2 3.7Å; L443-F479 HydrophobicContact CG-CZ 4.07Å; L443-H482 HydrophobicContact CD1-CB 4.39Å; L443-H482 VanDerWaalsContact CD1-CD2 3.44Å; L443-H482 WeakPolarHBondContact CD1-CD2 3.07Å; L443-H482 HydrophobicContact CD2-CB 4.32Å; L443-K484 HydrophobicContact CD2-CB 4.13Å; L443-K484 HydrophobicContact CD2-CD 3.66Å; L443-K484 HydrophobicContact CD2-CG 4.03Å; L443-K484 PolarHBondContact O-NZ 3.27Å
444	S	83.1	Confident	86.7	Confident	60 Å²	60	38 Å²	38	42%	0.42	19%	0.189	S	C	.	.	H	α-helix	trans	-87.9	-20.4	-178.5	-58.3	0	0	0	0	113.2	R440 N441	R440-S444 WeakPolarHBondContact O-CB 3.45Å; R440-S444 PolarHBondContact O-N 3.36Å; R440-S444 PolarHBondContact O-OG 3.43Å; N441-S444 PolarHBondContact O-N 3.05Å; N441-S444 VanDerWaalsContact O-N 3.1Å
445	E	77.8	Confident	86.8	Confident	97 Å²	97	38 Å²	38	45%	0.453	19%	0.189	S	C	.	.	S	Bend	trans	-69.9	156.6	177.2	-90.8	-59.9	166.2	0	0	114.3	N441 T448 L451	N441-E445 PolarHBondContact O-N 3.12Å; E445-T448 WeakPolarHBondContact O-CG2 3.4Å; E445-L451 HydrophobicContact CB-CD1 4.28Å; E445-L451 HydrophobicContact CG-CD1 3.39Å; E445-L451 HydrophobicContact CG-CG 3.99Å
446	Q	71.8	Confident	86.9	Confident	200 Å²	200	38 Å²	38	94%	0.935	19%	0.188	S	C	*	.	S	Bend	trans	-72.3	-39.2	174.1	-66.4	-172.3	5.4	0	0	112
447	D	78	Confident	86.9	Confident	84 Å²	84	46.2 Å²	46.2	45%	0.449	22%	0.219	S	C	.	.	S	Bend	trans	-104.4	86.9	167.7	-175.3	-11.7	0	0	0	109.2	C449 L450	D447-C449 PolarHBondContact O-N 2.97Å; D447-C449 VanDerWaalsContact O-N 3.16Å; D447-C449 WeakPolarHBondContact OD1-CA 3.49Å; D447-C449 VanDerWaalsContact OD1-CB 3.3Å; D447-C449 WeakPolarHBondContact OD1-CB 3.31Å; D447-C449 PolarHBondContact OD1-N 3.47Å; D447-L450 HydrophobicContact CB-CB 4.14Å; D447-L450 PolarHBondContact O-N 3.34Å; D447-L450 PolarHBondContact OD1-N 3.01Å
448	T	81.8	Confident	86.8	Confident	22 Å²	22	47 Å²	47	14%	0.135	22%	0.223	C	C	.	.	H	α-helix	trans	-60.9	-24	178.3	67.2	0	0	0	0	112.5	A442 E445 F452 K484 H489	A442-T448 VanDerWaalsContact O-CA 3.3Å; A442-T448 WeakPolarHBondContact O-CA 3.34Å; A442-T448 VanDerWaalsContact O-CB 3.25Å; A442-T448 WeakPolarHBondContact O-CB 3.33Å; A442-T448 WeakPolarHBondContact O-CG2 3.29Å; E445-T448 WeakPolarHBondContact O-CG2 3.4Å; T448-F452 VanDerWaalsContact O-CB 3.25Å; T448-F452 WeakPolarHBondContact O-CB 3.32Å; T448-F452 PolarHBondContact O-N 2.92Å; T448-K484 HydrophobicContact CG2-CD 3.99Å; T448-H489 PolarHBondContact OG1-NE2 2.94Å
449	C	84.9	Confident	86.5	Confident	7 Å²	7	47.1 Å²	47.1	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-78	-31.5	-176.8	-155.6	0	0	0	0	111.6	D447 K453 H489	D447-C449 PolarHBondContact O-N 2.97Å; D447-C449 VanDerWaalsContact O-N 3.16Å; D447-C449 WeakPolarHBondContact OD1-CA 3.49Å; D447-C449 VanDerWaalsContact OD1-CB 3.3Å; D447-C449 WeakPolarHBondContact OD1-CB 3.31Å; D447-C449 PolarHBondContact OD1-N 3.47Å; C449-K453 VanDerWaalsContact O-CB 3.23Å; C449-K453 WeakPolarHBondContact O-CB 3.48Å; C449-K453 WeakPolarHBondContact O-CD 3.48Å; C449-K453 WeakPolarHBondContact O-CG 3.34Å; C449-K453 PolarHBondContact O-N 3.33Å; C449-K453 WeakPolarHBondContact SG-CE 3.24Å; C449-K453 PolarHBondContact SG-NZ 3.03Å; C449-H489 WeakPolarHBondContact CA-NE2 3.31Å
450	L	87.3	Confident	86.3	Confident	105 Å²	105	50.6 Å²	50.6	55%	0.55	24%	0.24	S	C	.	.	H	α-helix	trans	-64.8	-49.9	179.2	-174.2	146.6	0	0	0	112.3	D447 K453 R454	D447-L450 HydrophobicContact CB-CB 4.14Å; D447-L450 PolarHBondContact O-N 3.34Å; D447-L450 PolarHBondContact OD1-N 3.01Å; L450-K453 PolarHBondContact O-N 2.93Å; L450-R454 PolarHBondContact O-N 2.9Å
451	L	88.4	Confident	85.6	Confident	17 Å²	17	50.3 Å²	50.3	9%	0.089	25%	0.253	C	S	.	.	H	α-helix	trans	-68.2	-38.8	175.2	-77.5	-171.7	0	0	0	112.1	A442 E445 K453 R454 Y455	A442-L451 HydrophobicContact CB-CB 3.96Å; E445-L451 HydrophobicContact CB-CD1 4.28Å; E445-L451 HydrophobicContact CG-CD1 3.39Å; E445-L451 HydrophobicContact CG-CG 3.99Å; L451-K453 PolarHBondContact O-N 3.19Å; L451-R454 WeakPolarHBondContact O-CB 3.38Å; L451-R454 PolarHBondContact O-N 3.49Å; L451-R454 VanDerWaalsContact O-N 3.15Å; L451-Y455 HydrophobicContact CB-CE2 4.02Å; L451-Y455 HydrophobicContact CD1-CE2 4.47Å; L451-Y455 HydrophobicContact CD2-CE1 4.33Å; L451-Y455 WeakPolarHBondContact O-CD2 3.45Å; L451-Y455 VanDerWaalsContact O-CG 3.24Å; L451-Y455 PolarHBondContact O-N 3.48Å
452	F	89.5	Confident	85.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.7	-47.5	173.9	-172.2	-81.5	0	0	0	111.3	T448 R454 Y455 M456 L475 F479 L485 H489 V492 V493	T448-F452 VanDerWaalsContact O-CB 3.25Å; T448-F452 WeakPolarHBondContact O-CB 3.32Å; T448-F452 PolarHBondContact O-N 2.92Å; F452-R454 VanDerWaalsContact C-N 3.32Å; F452-R454 PolarHBondContact O-N 3.02Å; F452-Y455 PolarHBondContact O-N 3.33Å; F452-M456 HydrophobicContact CD1-CG 3.72Å; F452-M456 HydrophobicContact CE1-CG 3.58Å; F452-M456 HydrophobicContact CE1-SD 4.02Å; F452-M456 HydrophobicContact CG-CG 4.45Å; F452-M456 HydrophobicContact CZ-CG 4.21Å; F452-M456 HydrophobicContact CZ-SD 4.14Å; F452-M456 WeakPolarHBondContact O-CB 3.14Å; F452-M456 WeakPolarHBondContact O-CG 3.24Å; F452-M456 PolarHBondContact O-N 3.21Å; F452-L475 HydrophobicContact CD2-CD1 4.29Å; F452-L475 HydrophobicContact CD2-CD2 3.73Å; F452-L475 HydrophobicContact CD2-CG 3.72Å; F452-L475 HydrophobicContact CE2-CD2 3.89Å; F452-L475 HydrophobicContact CE2-CG 3.66Å; F452-L475 HydrophobicContact CG-CD2 4.27Å; F452-F479 HydrophobicContact CB-CE1 4.48Å; F452-F479 HydrophobicContact CB-CZ 4.46Å; F452-F479 AromaticContact CD2-CD1 3.93Å; F452-F479 HydrophobicContact CD2-CD1 3.93Å; F452-F479 HydrophobicContact CD2-CD2 4.1Å; F452-F479 AromaticContact CD2-CE1 3.81Å; F452-F479 HydrophobicContact CD2-CE1 3.81Å; F452-F479 AromaticContact CD2-CE2 3.99Å; F452-F479 HydrophobicContact CD2-CE2 3.99Å; F452-F479 HydrophobicContact CD2-CG 4.08Å; F452-F479 AromaticContact CD2-CZ 3.85Å; F452-F479 HydrophobicContact CD2-CZ 3.85Å; F452-F479 HydrophobicContact CE2-CB 4.47Å; F452-F479 HydrophobicContact CE2-CD1 4.18Å; F452-F479 HydrophobicContact CE2-CD2 4.22Å; F452-F479 HydrophobicContact CE2-CG 4.03Å; F452-L485 HydrophobicContact CE2-CD1 4.46Å; F452-L485 HydrophobicContact CZ-CD1 4.31Å; F452-H489 HydrophobicContact CD1-CB 4.29Å; F452-H489 AromaticContact CD1-CD2 3.8Å; F452-H489 AromaticContact CD2-CD2 3.78Å; F452-H489 HydrophobicContact CE1-CB 4.02Å; F452-H489 AromaticContact CG-CD2 3.54Å; F452-H489 HydrophobicContact CZ-CB 4.24Å; F452-V492 HydrophobicContact CD1-CB 4.46Å; F452-V492 HydrophobicContact CD1-CG1 4.17Å; F452-V492 HydrophobicContact CE1-CB 4.29Å; F452-V492 HydrophobicContact CE1-CG1 4.15Å; F452-V493 HydrophobicContact CE1-CG2 3.87Å; F452-V493 HydrophobicContact CZ-CG2 3.68Å
453	K	90.9	Very high	84.6	Confident	53 Å²	53	57.9 Å²	57.9	23%	0.23	29%	0.294	C	S	.	.	H	α-helix	trans	-56.9	-41.6	174	-80.6	162.3	-179	157.1	0	112.5	C449 L450 L451 R457 E488 V492	C449-K453 VanDerWaalsContact O-CB 3.23Å; C449-K453 WeakPolarHBondContact O-CB 3.48Å; C449-K453 WeakPolarHBondContact O-CD 3.48Å; C449-K453 WeakPolarHBondContact O-CG 3.34Å; C449-K453 PolarHBondContact O-N 3.33Å; C449-K453 WeakPolarHBondContact SG-CE 3.24Å; C449-K453 PolarHBondContact SG-NZ 3.03Å; L450-K453 PolarHBondContact O-N 2.93Å; L451-K453 PolarHBondContact O-N 3.19Å; K453-R457 WeakPolarHBondContact O-CG 3.34Å; K453-R457 PolarHBondContact O-N 2.9Å; K453-E488 IonicContact NZ-OE2 3.19Å; K453-E488 PolarHBondContact NZ-OE2 3.46Å; K453-V492 HydrophobicContact CD-CG2 4.24Å; K453-V492 HydrophobicContact CG-CB 4.49Å; K453-V492 HydrophobicContact CG-CG1 4.33Å; K453-V492 HydrophobicContact CG-CG2 3.44Å; K453-V492 VanDerWaalsContact CG-CG2 3.44Å
454	R	91.9	Very high	84.2	Confident	59 Å²	59	58.4 Å²	58.4	22%	0.223	30%	0.299	C	S	.	.	H	α-helix	trans	-63.1	-54.6	175.8	-176.9	-178.6	176.2	-152.5	0	111	S417 V418 D420 L450 L451 F452 M456 R457 L458	S417-R454 PolarHBondContact O-NH1 3.47Å; S417-R454 PolarHBondContact O-NH2 3.46Å; V418-R454 PolarHBondContact O-NH2 2.78Å; D420-R454 IonicContact OD1-CZ 3.56Å; D420-R454 IonicContact OD1-NE 2.76Å; D420-R454 PolarHBondContact OD1-NE 2.88Å; D420-R454 IonicContact OD1-NH2 2.72Å; D420-R454 PolarHBondContact OD1-NH2 3.18Å; L450-R454 PolarHBondContact O-N 2.9Å; L451-R454 WeakPolarHBondContact O-CB 3.38Å; L451-R454 PolarHBondContact O-N 3.49Å; L451-R454 VanDerWaalsContact O-N 3.15Å; F452-R454 VanDerWaalsContact C-N 3.32Å; F452-R454 PolarHBondContact O-N 3.02Å; R454-M456 VanDerWaalsContact C-N 3.34Å; R454-M456 PolarHBondContact O-N 3.07Å; R454-R457 PolarHBondContact O-N 3.45Å; R454-R457 VanDerWaalsContact O-N 3.15Å; R454-L458 HydrophobicContact CG-CD1 4.25Å; R454-L458 WeakPolarHBondContact O-CG 3.31Å; R454-L458 PolarHBondContact O-N 2.94Å
455	Y	92.6	Very high	83.9	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.9	-37.1	-175.6	-58.6	-23.4	0	0	0	113	I423 L438 N441 A442 L451 F452 R457 L458 C459	I423-Y455 HydrophobicContact CD1-CD1 4.11Å; I423-Y455 HydrophobicContact CD1-CE1 3.64Å; L438-Y455 HydrophobicContact CB-CD2 3.79Å; L438-Y455 HydrophobicContact CB-CE2 3.94Å; L438-Y455 HydrophobicContact CB-CG 4.42Å; L438-Y455 HydrophobicContact CD2-CD1 3.79Å; L438-Y455 HydrophobicContact CD2-CD2 3.82Å; L438-Y455 HydrophobicContact CD2-CE1 3.63Å; L438-Y455 HydrophobicContact CD2-CE2 3.64Å; L438-Y455 HydrophobicContact CD2-CG 3.89Å; L438-Y455 HydrophobicContact CG-CD2 4.3Å; L438-Y455 HydrophobicContact CG-CE2 4.38Å; L438-Y455 WeakPolarHBondContact O-CE2 3.43Å; N441-Y455 PolarHBondContact ND2-OH 3.29Å; A442-Y455 HydrophobicContact CB-CD2 4.22Å; A442-Y455 HydrophobicContact CB-CE2 3.95Å; L451-Y455 HydrophobicContact CB-CE2 4.02Å; L451-Y455 HydrophobicContact CD1-CE2 4.47Å; L451-Y455 HydrophobicContact CD2-CE1 4.33Å; L451-Y455 WeakPolarHBondContact O-CD2 3.45Å; L451-Y455 VanDerWaalsContact O-CG 3.24Å; L451-Y455 PolarHBondContact O-N 3.48Å; F452-Y455 PolarHBondContact O-N 3.33Å; Y455-R457 PolarHBondContact O-N 3.17Å; Y455-L458 HydrophobicContact CD1-CD1 4.46Å; Y455-L458 PolarHBondContact O-N 3.39Å; Y455-C459 PolarHBondContact O-N 3.35Å; Y455-C459 PolarHBondContact O-SG 3.47Å
456	M	90.1	Very high	83.8	Confident	1 Å²	1	56 Å²	56	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-41.4	174.3	-69.7	-71	-54	0	0	112.4	F452 R454 C459 V472 L475 V492 V493 F496	F452-M456 HydrophobicContact CD1-CG 3.72Å; F452-M456 HydrophobicContact CE1-CG 3.58Å; F452-M456 HydrophobicContact CE1-SD 4.02Å; F452-M456 HydrophobicContact CG-CG 4.45Å; F452-M456 HydrophobicContact CZ-CG 4.21Å; F452-M456 HydrophobicContact CZ-SD 4.14Å; F452-M456 WeakPolarHBondContact O-CB 3.14Å; F452-M456 WeakPolarHBondContact O-CG 3.24Å; F452-M456 PolarHBondContact O-N 3.21Å; R454-M456 VanDerWaalsContact C-N 3.34Å; R454-M456 PolarHBondContact O-N 3.07Å; M456-C459 WeakPolarHBondContact O-CB 3.47Å; M456-C459 PolarHBondContact O-N 3.47Å; M456-V472 HydrophobicContact CE-CB 4.42Å; M456-V472 HydrophobicContact CE-CG1 3.63Å; M456-V472 HydrophobicContact CE-CG2 3.96Å; M456-V472 HydrophobicContact SD-CB 4.24Å; M456-V472 HydrophobicContact SD-CG1 3.87Å; M456-V472 HydrophobicContact SD-CG2 3.79Å; M456-L475 HydrophobicContact CG-CD2 4.32Å; M456-L475 HydrophobicContact SD-CD2 4.23Å; M456-V492 HydrophobicContact CB-CG1 3.56Å; M456-V492 HydrophobicContact CE-CG1 4.49Å; M456-V492 HydrophobicContact CG-CG1 3.68Å; M456-V493 HydrophobicContact CE-CB 4.3Å; M456-V493 HydrophobicContact CE-CG2 3.95Å; M456-V493 HydrophobicContact SD-CG2 4.4Å; M456-F496 HydrophobicContact CE-CB 3.46Å; M456-F496 VanDerWaalsContact CE-CB 3.46Å; M456-F496 HydrophobicContact CE-CD1 4.2Å; M456-F496 HydrophobicContact CE-CD2 4.23Å; M456-F496 HydrophobicContact CE-CG 3.7Å
457	R	90.4	Very high	84.3	Confident	174 Å²	174	49 Å²	49	66%	0.657	26%	0.256	S	S	*	.	H	α-helix	trans	-66.2	-40.3	173.4	-69.4	175.2	-167.8	164.3	4.5	112.3	K453 R454 Y455 C459 E460	K453-R457 WeakPolarHBondContact O-CG 3.34Å; K453-R457 PolarHBondContact O-N 2.9Å; R454-R457 PolarHBondContact O-N 3.45Å; R454-R457 VanDerWaalsContact O-N 3.15Å; Y455-R457 PolarHBondContact O-N 3.17Å; R457-C459 VanDerWaalsContact C-N 3.25Å; R457-C459 PolarHBondContact O-N 3.3Å; R457-E460 VanDerWaalsContact O-CB 3.31Å; R457-E460 WeakPolarHBondContact O-CB 3.21Å; R457-E460 PolarHBondContact O-N 2.86Å
458	L	89.8	Confident	84.5	Confident	18 Å²	18	45.3 Å²	45.3	9%	0.094	24%	0.237	C	C	.	.	H	α-helix	trans	-63.2	-34.7	177.4	-64.8	178.6	0	0	0	111.7	D420 I423 I424 R454 Y455 E460 G461 V462	D420-L458 HydrophobicContact CB-CD1 4.24Å; D420-L458 HydrophobicContact CB-CD2 3.6Å; I423-L458 HydrophobicContact CB-CD1 3.88Å; I423-L458 HydrophobicContact CD1-CD1 3.71Å; I423-L458 HydrophobicContact CG1-CD1 4.43Å; I423-L458 HydrophobicContact CG2-CD1 3.72Å; I424-L458 HydrophobicContact CD1-CD2 4.24Å; I424-L458 HydrophobicContact CG1-CB 4.43Å; I424-L458 HydrophobicContact CG1-CD2 4.49Å; R454-L458 HydrophobicContact CG-CD1 4.25Å; R454-L458 WeakPolarHBondContact O-CG 3.31Å; R454-L458 PolarHBondContact O-N 2.94Å; Y455-L458 HydrophobicContact CD1-CD1 4.46Å; Y455-L458 PolarHBondContact O-N 3.39Å; L458-E460 PolarHBondContact O-N 3.21Å; L458-G461 PolarHBondContact O-N 3.18Å; L458-V462 WeakPolarHBondContact O-CG2 3.26Å; L458-V462 PolarHBondContact O-N 3.32Å
459	C	86.7	Confident	84.5	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-27.7	172.5	-65.2	0	0	0	0	113	Y455 M456 R457 G461 V462 S468 V472 F496	Y455-C459 PolarHBondContact O-N 3.35Å; Y455-C459 PolarHBondContact O-SG 3.47Å; M456-C459 WeakPolarHBondContact O-CB 3.47Å; M456-C459 PolarHBondContact O-N 3.47Å; R457-C459 VanDerWaalsContact C-N 3.25Å; R457-C459 PolarHBondContact O-N 3.3Å; C459-G461 VanDerWaalsContact C-N 3.27Å; C459-G461 PolarHBondContact O-N 3.18Å; C459-V462 PolarHBondContact O-N 3.32Å; C459-S468 VanDerWaalsContact O-CB 3.32Å; C459-S468 WeakPolarHBondContact O-CB 3.49Å; C459-S468 PolarHBondContact O-OG 3.08Å; C459-V472 HydrophobicContact CB-CG2 3.68Å; C459-F496 HydrophobicContact CB-CE2 3.9Å
460	E	84.4	Confident	84.5	Confident	78 Å²	78	47.9 Å²	47.9	36%	0.364	25%	0.247	S	C	.	.	H	α-helix	trans	-67.7	-28.1	173.1	-57	179.5	173.4	0	0	112.1	R457 L458 F496 H499	R457-E460 VanDerWaalsContact O-CB 3.31Å; R457-E460 WeakPolarHBondContact O-CB 3.21Å; R457-E460 PolarHBondContact O-N 2.86Å; L458-E460 PolarHBondContact O-N 3.21Å; E460-F496 HydrophobicContact CG-CD2 3.55Å; E460-F496 HydrophobicContact CG-CE2 3.86Å; E460-H499 IonicContact OE2-ND1 2.95Å
461	G	75.6	Confident	84.4	Confident	46 Å²	46	43 Å²	43	47%	0.474	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	0.3	178.8	0	0	0	0	0	115.5	L458 C459 N463	L458-G461 PolarHBondContact O-N 3.18Å; C459-G461 VanDerWaalsContact C-N 3.27Å; C459-G461 PolarHBondContact O-N 3.18Å; G461-N463 PolarHBondContact O-N 3.35Å
462	V	81.2	Confident	84.4	Confident	11 Å²	11	42.1 Å²	42.1	7%	0.067	22%	0.217	C	C	.	.			trans	-82.6	115.8	-178.7	172.4	0	0	0	0	110.6	I424 I427 L458 C459 S464	I424-V462 HydrophobicContact CG1-CG2 4.49Å; I424-V462 HydrophobicContact CG2-CG2 4.32Å; I427-V462 HydrophobicContact CB-CG2 4.28Å; I427-V462 HydrophobicContact CD1-CG2 4.26Å; I427-V462 HydrophobicContact CG2-CG1 4.06Å; I427-V462 HydrophobicContact CG2-CG2 3.99Å; L458-V462 WeakPolarHBondContact O-CG2 3.26Å; L458-V462 PolarHBondContact O-N 3.32Å; C459-V462 PolarHBondContact O-N 3.32Å; V462-S464 PolarHBondContact O-N 2.83Å
463	N	73.4	Confident	84.3	Confident	160 Å²	160	43.4 Å²	43.4	86%	0.856	22%	0.224	S	C	*	.	S	Bend	trans	-56	-16.7	178.8	-66.7	-11.8	0	0	0	115.2	G461	G461-N463 PolarHBondContact O-N 3.35Å
464	S	78.6	Confident	84.2	Confident	32 Å²	32	43 Å²	43	22%	0.224	22%	0.222	C	C	.	.			trans	-99.8	100.7	171.6	178.8	0	0	0	0	110.5	V462 V466 H467 S468	V462-S464 PolarHBondContact O-N 2.83Å; S464-V466 PolarHBondContact O-N 3.47Å; S464-H467 PolarHBondContact O-N 2.85Å; S464-H467 VanDerWaalsContact O-N 3.17Å; S464-H467 PolarHBondContact OG-CD2 3.01Å; S464-H467 VanDerWaalsContact OG-CD2 3.29Å; S464-H467 PolarHBondContact OG-N 2.9Å; S464-S468 PolarHBondContact O-N 3.46Å
465	T	76.1	Confident	84	Confident	52 Å²	52	40.3 Å²	40.3	32%	0.319	21%	0.212	S	C	.	.	H	α-helix	trans	-54.6	-37.7	175.1	-40.8	0	0	0	0	111.5	H467 S468 L469 T509	T465-H467 PolarHBondContact O-N 2.79Å; T465-S468 PolarHBondContact O-N 2.99Å; T465-L469 HydrophobicContact CG2-CD1 3.87Å; T465-L469 HydrophobicContact CG2-CG 4.16Å; T465-L469 WeakPolarHBondContact O-CG 3.34Å; T465-L469 PolarHBondContact O-N 3.24Å; T465-T509 HydrophobicContact CG2-CG2 4.21Å
466	V	77.3	Confident	83.8	Confident	55 Å²	55	40.3 Å²	40.3	33%	0.333	21%	0.212	S	C	.	.	H	α-helix	trans	-61.2	-48.9	179.3	-180	0	0	0	0	111.1	S464 S468 L469 E470 L512	S464-V466 PolarHBondContact O-N 3.47Å; V466-S468 VanDerWaalsContact C-N 3.34Å; V466-S468 PolarHBondContact O-N 3.28Å; V466-L469 PolarHBondContact O-N 3.15Å; V466-E470 WeakPolarHBondContact O-CB 3.44Å; V466-E470 PolarHBondContact O-N 2.81Å; V466-L512 HydrophobicContact CG2-CD1 3.78Å
467	H	82	Confident	83.7	Confident	53 Å²	53	43.4 Å²	43.4	25%	0.245	23%	0.225	C	C	.	.	H	α-helix	trans	-69.9	-35	-177.3	-59.7	-173.5	0	0	0	111.7	I427 R428 V431 S464 T465 T471	I427-H467 HydrophobicContact CG2-CB 3.9Å; I427-H467 PolarHBondContact O-ND1 3.38Å; R428-H467 PolarHBondContact O-CE1 2.76Å; R428-H467 VanDerWaalsContact O-CE1 3.22Å; R428-H467 PolarHBondContact O-ND1 3.43Å; V431-H467 HydrophobicContact CB-CB 4.25Å; V431-H467 HydrophobicContact CG2-CB 3.84Å; S464-H467 PolarHBondContact O-N 2.85Å; S464-H467 VanDerWaalsContact O-N 3.17Å; S464-H467 PolarHBondContact OG-CD2 3.01Å; S464-H467 VanDerWaalsContact OG-CD2 3.29Å; S464-H467 PolarHBondContact OG-N 2.9Å; T465-H467 PolarHBondContact O-N 2.79Å; H467-T471 WeakPolarHBondContact O-CB 3.31Å; H467-T471 PolarHBondContact O-N 3.04Å; H467-T471 PolarHBondContact O-OG1 3.06Å
468	S	81.1	Confident	83.5	Confident	7 Å²	7	36.4 Å²	36.4	5%	0.049	20%	0.2	C	C	.	.	H	α-helix	trans	-57.3	-55.2	172.1	175.5	0	0	0	0	111.4	C459 S464 T465 V466 E470 T471 V472 F496	C459-S468 VanDerWaalsContact O-CB 3.32Å; C459-S468 WeakPolarHBondContact O-CB 3.49Å; C459-S468 PolarHBondContact O-OG 3.08Å; S464-S468 PolarHBondContact O-N 3.46Å; T465-S468 PolarHBondContact O-N 2.99Å; V466-S468 VanDerWaalsContact C-N 3.34Å; V466-S468 PolarHBondContact O-N 3.28Å; S468-E470 PolarHBondContact O-N 3.13Å; S468-T471 PolarHBondContact O-N 3.49Å; S468-V472 WeakPolarHBondContact O-CG2 3.3Å; S468-V472 PolarHBondContact O-N 2.87Å; S468-F496 WeakPolarHBondContact OG-CZ 3.48Å
469	L	83.4	Confident	83.4	Confident	11 Å²	11	35.5 Å²	35.5	6%	0.058	20%	0.195	C	C	.	.	H	α-helix	trans	-65.9	-36.7	-178.7	-58	171.6	0	0	0	112.3	T465 V466 L473 F496 T500 L512 L516	T465-L469 HydrophobicContact CG2-CD1 3.87Å; T465-L469 HydrophobicContact CG2-CG 4.16Å; T465-L469 WeakPolarHBondContact O-CG 3.34Å; T465-L469 PolarHBondContact O-N 3.24Å; V466-L469 PolarHBondContact O-N 3.15Å; L469-L473 VanDerWaalsContact O-CB 3.24Å; L469-L473 WeakPolarHBondContact O-CB 3.34Å; L469-L473 PolarHBondContact O-N 2.89Å; L469-F496 HydrophobicContact CD2-CE1 3.9Å; L469-F496 HydrophobicContact CD2-CZ 4.12Å; L469-T500 HydrophobicContact CD2-CG2 4.31Å; L469-L512 HydrophobicContact CD1-CB 3.6Å; L469-L516 HydrophobicContact CB-CD2 4.29Å; L469-L516 HydrophobicContact CD2-CB 4.36Å; L469-L516 HydrophobicContact CD2-CD2 3.34Å; L469-L516 HydrophobicContact CD2-CG 4.38Å; L469-L516 HydrophobicContact CG-CD2 4.33Å
470	E	84.8	Confident	83.4	Confident	72 Å²	72	38 Å²	38	34%	0.336	21%	0.208	S	C	.	.	H	α-helix	trans	-63.7	-45.2	174.7	-173.6	-177.7	165.8	0	0	111.8	V431 V466 S468 L473 K474	V431-E470 HydrophobicContact CG2-CB 4.33Å; V431-E470 HydrophobicContact CG2-CG 4.39Å; V466-E470 WeakPolarHBondContact O-CB 3.44Å; V466-E470 PolarHBondContact O-N 2.81Å; S468-E470 PolarHBondContact O-N 3.13Å; E470-L473 PolarHBondContact O-N 3.05Å; E470-K474 WeakPolarHBondContact O-CB 3.31Å; E470-K474 PolarHBondContact O-N 3.35Å
471	T	84.8	Confident	83.5	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-64.3	-46.6	178.8	-56.8	0	0	0	0	111.2	I427 L438 H467 S468 L473 K474 L475	I427-T471 HydrophobicContact CD1-CG2 4.22Å; I427-T471 HydrophobicContact CG1-CG2 4.26Å; L438-T471 HydrophobicContact CD1-CG2 3.91Å; H467-T471 WeakPolarHBondContact O-CB 3.31Å; H467-T471 PolarHBondContact O-N 3.04Å; H467-T471 PolarHBondContact O-OG1 3.06Å; S468-T471 PolarHBondContact O-N 3.49Å; T471-L473 VanDerWaalsContact C-N 3.34Å; T471-L473 PolarHBondContact O-N 3.28Å; T471-K474 PolarHBondContact O-N 3.28Å; T471-L475 VanDerWaalsContact O-CB 3.26Å; T471-L475 WeakPolarHBondContact O-CB 3.39Å; T471-L475 PolarHBondContact O-N 3.03Å
472	V	87.8	Confident	83.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.4	-42.8	176.5	166.9	0	0	0	0	111.7	M456 C459 S468 S476 F496	M456-V472 HydrophobicContact CE-CB 4.42Å; M456-V472 HydrophobicContact CE-CG1 3.63Å; M456-V472 HydrophobicContact CE-CG2 3.96Å; M456-V472 HydrophobicContact SD-CB 4.24Å; M456-V472 HydrophobicContact SD-CG1 3.87Å; M456-V472 HydrophobicContact SD-CG2 3.79Å; C459-V472 HydrophobicContact CB-CG2 3.68Å; S468-V472 WeakPolarHBondContact O-CG2 3.3Å; S468-V472 PolarHBondContact O-N 2.87Å; V472-S476 VanDerWaalsContact O-CB 3.25Å; V472-S476 WeakPolarHBondContact O-CB 3.41Å; V472-S476 PolarHBondContact O-N 3.27Å; V472-S476 PolarHBondContact O-OG 2.96Å; V472-F496 HydrophobicContact CB-CE1 4.22Å; V472-F496 HydrophobicContact CB-CZ 4.45Å; V472-F496 HydrophobicContact CG1-CD1 3.97Å; V472-F496 HydrophobicContact CG1-CE1 4.02Å; V472-F496 HydrophobicContact CG2-CD1 4.22Å; V472-F496 HydrophobicContact CG2-CD2 4.23Å; V472-F496 HydrophobicContact CG2-CE1 3.88Å; V472-F496 HydrophobicContact CG2-CE2 3.89Å; V472-F496 HydrophobicContact CG2-CG 4.4Å; V472-F496 HydrophobicContact CG2-CZ 3.71Å
473	L	88.3	Confident	84	Confident	27 Å²	27	49.8 Å²	49.8	14%	0.141	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-47.7	177.4	177.4	68.1	0	0	0	111.8	L469 E470 T471 S476 K477 L516 K519 L520	L469-L473 VanDerWaalsContact O-CB 3.24Å; L469-L473 WeakPolarHBondContact O-CB 3.34Å; L469-L473 PolarHBondContact O-N 2.89Å; E470-L473 PolarHBondContact O-N 3.05Å; T471-L473 VanDerWaalsContact C-N 3.34Å; T471-L473 PolarHBondContact O-N 3.28Å; L473-S476 PolarHBondContact O-N 3.15Å; L473-K477 VanDerWaalsContact O-CB 3.32Å; L473-K477 WeakPolarHBondContact O-CB 3.5Å; L473-K477 PolarHBondContact O-N 3.32Å; L473-L516 HydrophobicContact CB-CD1 3.94Å; L473-L516 HydrophobicContact CD1-CD1 4.27Å; L473-K519 HydrophobicContact CD1-CB 4.35Å; L473-K519 HydrophobicContact CD1-CD 4.18Å; L473-K519 HydrophobicContact CD1-CG 4Å; L473-K519 HydrophobicContact CD2-CD 3.66Å; L473-K519 HydrophobicContact CD2-CG 4.4Å; L473-L520 HydrophobicContact CD1-CD2 4.04Å
474	K	87.8	Confident	84.6	Confident	44 Å²	44	46 Å²	46	19%	0.191	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-46	179.7	-176.5	166.7	174.6	177.1	0	111.2	K432 E470 T471 S476 K477 E478	K432-K474 PolarHBondContact O-NZ 2.98Å; E470-K474 WeakPolarHBondContact O-CB 3.31Å; E470-K474 PolarHBondContact O-N 3.35Å; T471-K474 PolarHBondContact O-N 3.28Å; K474-S476 VanDerWaalsContact C-N 3.35Å; K474-S476 PolarHBondContact O-N 3.39Å; K474-K477 PolarHBondContact O-N 3.17Å; K474-E478 PolarHBondContact O-N 3.32Å
475	L	87.9	Confident	85	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-59.1	-45.3	176.4	-170.9	67.5	0	0	0	111.6	V439 F452 M456 T471 F479	V439-L475 HydrophobicContact CB-CD1 4.43Å; V439-L475 HydrophobicContact CG2-CB 4.42Å; V439-L475 HydrophobicContact CG2-CD1 3.76Å; F452-L475 HydrophobicContact CD2-CD1 4.29Å; F452-L475 HydrophobicContact CD2-CD2 3.73Å; F452-L475 HydrophobicContact CD2-CG 3.72Å; F452-L475 HydrophobicContact CE2-CD2 3.89Å; F452-L475 HydrophobicContact CE2-CG 3.66Å; F452-L475 HydrophobicContact CG-CD2 4.27Å; M456-L475 HydrophobicContact CG-CD2 4.32Å; M456-L475 HydrophobicContact SD-CD2 4.23Å; T471-L475 VanDerWaalsContact O-CB 3.26Å; T471-L475 WeakPolarHBondContact O-CB 3.39Å; T471-L475 PolarHBondContact O-N 3.03Å; L475-F479 HydrophobicContact CD1-CD2 4.22Å; L475-F479 HydrophobicContact CD1-CE2 3.86Å; L475-F479 WeakPolarHBondContact O-CB 3.38Å; L475-F479 WeakPolarHBondContact O-CD2 3.16Å; L475-F479 PolarHBondContact O-N 3.5Å
476	S	88.2	Confident	85.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.4	-39.9	179	-59.1	0	0	0	0	113.2	V472 L473 K474 I480 V493	V472-S476 VanDerWaalsContact O-CB 3.25Å; V472-S476 WeakPolarHBondContact O-CB 3.41Å; V472-S476 PolarHBondContact O-N 3.27Å; V472-S476 PolarHBondContact O-OG 2.96Å; L473-S476 PolarHBondContact O-N 3.15Å; K474-S476 VanDerWaalsContact C-N 3.35Å; K474-S476 PolarHBondContact O-N 3.39Å; S476-I480 PolarHBondContact O-N 3.37Å; S476-V493 WeakPolarHBondContact OG-CG2 3.13Å
477	K	87.5	Confident	86	Confident	67 Å²	67	48.3 Å²	48.3	29%	0.291	24%	0.236	S	C	.	.	H	α-helix	trans	-70	-48.5	-177.8	-174.5	172.9	-176.8	-76.4	0	111.8	L473 K474 F479 I480 E481	L473-K477 VanDerWaalsContact O-CB 3.32Å; L473-K477 WeakPolarHBondContact O-CB 3.5Å; L473-K477 PolarHBondContact O-N 3.32Å; K474-K477 PolarHBondContact O-N 3.17Å; K477-F479 VanDerWaalsContact C-N 3.26Å; K477-F479 PolarHBondContact O-N 2.85Å; K477-I480 WeakPolarHBondContact O-CB 3.39Å; K477-I480 PolarHBondContact O-N 3Å; K477-E481 IonicContact NZ-OE1 3.58Å; K477-E481 PolarHBondContact NZ-OE1 2.9Å; K477-E481 IonicContact NZ-OE2 3.32Å; K477-E481 PolarHBondContact O-N 2.9Å
478	E	86.6	Confident	86.2	Confident	26 Å²	26	50.7 Å²	50.7	12%	0.121	25%	0.247	C	C	.	.	H	α-helix	trans	-67.2	-29.5	-179.4	-61.5	-138.1	-145.8	0	0	111.5	R401 V439 K474 I480 E481 H482	R401-E478 IonicContact CZ-OE1 2.75Å; R401-E478 IonicContact NH2-OE1 3.58Å; R401-E478 PolarHBondContact NH2-OE1 3.27Å; R401-E478 IonicContact NH2-OE2 2.6Å; V439-E478 HydrophobicContact CG1-CB 3.69Å; V439-E478 HydrophobicContact CG1-CG 4.31Å; V439-E478 HydrophobicContact CG2-CB 4.03Å; V439-E478 HydrophobicContact CG2-CG 4.35Å; K474-E478 PolarHBondContact O-N 3.32Å; E478-I480 VanDerWaalsContact C-N 3.31Å; E478-I480 PolarHBondContact O-N 3.33Å; E478-E481 PolarHBondContact O-N 3.48Å; E478-H482 WeakPolarHBondContact O-CB 3.42Å; E478-H482 PolarHBondContact O-CD2 3.36Å; E478-H482 VanDerWaalsContact O-CD2 3.25Å; E478-H482 PolarHBondContact O-N 3.35Å
479	F	88.4	Confident	86.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-26.9	170.3	-92.5	-115	0	0	0	114	A442 L443 F452 L475 K477 K484 L485 H489	A442-F479 HydrophobicContact CB-CE2 3.99Å; A442-F479 HydrophobicContact CB-CZ 3.69Å; L443-F479 HydrophobicContact CD2-CD1 4.22Å; L443-F479 HydrophobicContact CD2-CD2 3.83Å; L443-F479 HydrophobicContact CD2-CE1 4.02Å; L443-F479 HydrophobicContact CD2-CE2 3.6Å; L443-F479 HydrophobicContact CD2-CG 4.13Å; L443-F479 HydrophobicContact CD2-CZ 3.7Å; L443-F479 HydrophobicContact CG-CD2 4.17Å; L443-F479 HydrophobicContact CG-CE2 3.7Å; L443-F479 HydrophobicContact CG-CZ 4.07Å; F452-F479 HydrophobicContact CB-CE1 4.48Å; F452-F479 HydrophobicContact CB-CZ 4.46Å; F452-F479 AromaticContact CD2-CD1 3.93Å; F452-F479 HydrophobicContact CD2-CD1 3.93Å; F452-F479 HydrophobicContact CD2-CD2 4.1Å; F452-F479 AromaticContact CD2-CE1 3.81Å; F452-F479 HydrophobicContact CD2-CE1 3.81Å; F452-F479 AromaticContact CD2-CE2 3.99Å; F452-F479 HydrophobicContact CD2-CE2 3.99Å; F452-F479 HydrophobicContact CD2-CG 4.08Å; F452-F479 AromaticContact CD2-CZ 3.85Å; F452-F479 HydrophobicContact CD2-CZ 3.85Å; F452-F479 HydrophobicContact CE2-CB 4.47Å; F452-F479 HydrophobicContact CE2-CD1 4.18Å; F452-F479 HydrophobicContact CE2-CD2 4.22Å; F452-F479 HydrophobicContact CE2-CG 4.03Å; L475-F479 HydrophobicContact CD1-CD2 4.22Å; L475-F479 HydrophobicContact CD1-CE2 3.86Å; L475-F479 WeakPolarHBondContact O-CB 3.38Å; L475-F479 WeakPolarHBondContact O-CD2 3.16Å; L475-F479 PolarHBondContact O-N 3.5Å; K477-F479 VanDerWaalsContact C-N 3.26Å; K477-F479 PolarHBondContact O-N 2.85Å; F479-K484 HydrophobicContact CD1-CB 4.09Å; F479-K484 HydrophobicContact CE1-CB 4.49Å; F479-K484 PolarHBondContact O-N 2.95Å; F479-L485 HydrophobicContact CB-CB 4.24Å; F479-L485 HydrophobicContact CB-CD1 3.88Å; F479-L485 PolarHBondContact O-N 3.21Å; F479-H489 AromaticContact CD1-CD2 3.74Å; F479-H489 AromaticContact CD1-NE2 3.88Å; F479-H489 AromaticContact CE1-CD2 3.69Å; F479-H489 AromaticContact CE1-NE2 3.51Å
480	I	86.8	Confident	86.8	Confident	53 Å²	53	52.5 Å²	52.5	27%	0.272	25%	0.252	S	S	.	.	H	α-helix	trans	-75.8	-46	170	-68.5	179.9	0	0	0	110.6	S476 K477 E478 H482 D483 L485 E523 V525	S476-I480 PolarHBondContact O-N 3.37Å; K477-I480 WeakPolarHBondContact O-CB 3.39Å; K477-I480 PolarHBondContact O-N 3Å; E478-I480 VanDerWaalsContact C-N 3.31Å; E478-I480 PolarHBondContact O-N 3.33Å; I480-H482 PolarHBondContact O-N 2.89Å; I480-D483 PolarHBondContact O-N 3.45Å; I480-L485 HydrophobicContact CD1-CD2 3.8Å; I480-L485 HydrophobicContact CG1-CB 3.92Å; I480-L485 HydrophobicContact CG1-CD2 3.47Å; I480-L485 VanDerWaalsContact CG1-CD2 3.47Å; I480-L485 HydrophobicContact CG1-CG 4.22Å; I480-E523 WeakPolarHBondContact CD1-O 3.38Å; I480-V525 HydrophobicContact CD1-CB 4.1Å; I480-V525 HydrophobicContact CD1-CG2 3.46Å; I480-V525 VanDerWaalsContact CD1-CG2 3.46Å
481	E	86.9	Confident	87.1	Confident	118 Å²	118	54.3 Å²	54.3	55%	0.551	26%	0.261	S	S	*	.	H	α-helix	trans	-62.2	-29.3	-178.2	-68.4	176.2	153.4	0	0	112.1	K477 E478	K477-E481 IonicContact NZ-OE1 3.58Å; K477-E481 PolarHBondContact NZ-OE1 2.9Å; K477-E481 IonicContact NZ-OE2 3.32Å; K477-E481 PolarHBondContact O-N 2.9Å; E478-E481 PolarHBondContact O-N 3.48Å
482	H	83.8	Confident	87.3	Confident	108 Å²	108	55.5 Å²	55.5	50%	0.5	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	7.9	172.6	-74.1	-69.1	0	0	0	115.3	L443 E478 I480 K484	L443-H482 HydrophobicContact CD1-CB 4.39Å; L443-H482 VanDerWaalsContact CD1-CD2 3.44Å; L443-H482 WeakPolarHBondContact CD1-CD2 3.07Å; L443-H482 HydrophobicContact CD2-CB 4.32Å; E478-H482 WeakPolarHBondContact O-CB 3.42Å; E478-H482 PolarHBondContact O-CD2 3.36Å; E478-H482 VanDerWaalsContact O-CD2 3.25Å; E478-H482 PolarHBondContact O-N 3.35Å; I480-H482 PolarHBondContact O-N 2.89Å; H482-K484 HydrophobicContact CB-CG 4.39Å; H482-K484 WeakPolarHBondContact O-CG 3.29Å; H482-K484 PolarHBondContact O-N 3.39Å; H482-K484 VanDerWaalsContact O-N 3.14Å
483	D	83.5	Confident	87.4	Confident	157 Å²	157	55.5 Å²	55.5	84%	0.84	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	31.5	-178.8	-158.2	31.9	0	0	0	114.5	I480	I480-D483 PolarHBondContact O-N 3.45Å
484	K	85.5	Confident	87.4	Confident	81 Å²	81	55 Å²	55	35%	0.352	27%	0.265	S	S	.	.			trans	-102.7	-3.9	177.9	-60.3	-148.9	-168.6	-179.6	0	113.9	L443 T448 F479 H482 T486	L443-K484 HydrophobicContact CD2-CB 4.13Å; L443-K484 HydrophobicContact CD2-CD 3.66Å; L443-K484 HydrophobicContact CD2-CG 4.03Å; L443-K484 PolarHBondContact O-NZ 3.27Å; T448-K484 HydrophobicContact CG2-CD 3.99Å; F479-K484 HydrophobicContact CD1-CB 4.09Å; F479-K484 HydrophobicContact CE1-CB 4.49Å; F479-K484 PolarHBondContact O-N 2.95Å; H482-K484 HydrophobicContact CB-CG 4.39Å; H482-K484 WeakPolarHBondContact O-CG 3.29Å; H482-K484 PolarHBondContact O-N 3.39Å; H482-K484 VanDerWaalsContact O-N 3.14Å; K484-T486 PolarHBondContact O-N 2.85Å
485	L	86.8	Confident	87.5	Confident	17 Å²	17	55.3 Å²	55.3	9%	0.089	28%	0.276	C	S	.	.			trans	-75.6	80.4	-177.2	-164.3	81.9	0	0	0	113.2	F452 F479 I480 H489 R490 V525	F452-L485 HydrophobicContact CE2-CD1 4.46Å; F452-L485 HydrophobicContact CZ-CD1 4.31Å; F479-L485 HydrophobicContact CB-CB 4.24Å; F479-L485 HydrophobicContact CB-CD1 3.88Å; F479-L485 PolarHBondContact O-N 3.21Å; I480-L485 HydrophobicContact CD1-CD2 3.8Å; I480-L485 HydrophobicContact CG1-CB 3.92Å; I480-L485 HydrophobicContact CG1-CD2 3.47Å; I480-L485 VanDerWaalsContact CG1-CD2 3.47Å; I480-L485 HydrophobicContact CG1-CG 4.22Å; L485-H489 HydrophobicContact CD1-CB 3.58Å; L485-H489 HydrophobicContact CG-CB 4.17Å; L485-R490 HydrophobicContact CD2-CG 3.89Å; L485-R490 HydrophobicContact CG-CG 4.14Å; L485-V525 HydrophobicContact CD2-CB 4.46Å; L485-V525 HydrophobicContact CD2-CG1 3.95Å
486	T	87.9	Confident	87.5	Confident	71 Å²	71	55.4 Å²	55.4	44%	0.436	28%	0.277	S	S	.	.			trans	-71	169.2	175.3	80.3	0	0	0	0	113	K484 E488 H489 R490	K484-T486 PolarHBondContact O-N 2.85Å; T486-E488 VanDerWaalsContact C-N 3.27Å; T486-E488 PolarHBondContact O-N 3.21Å; T486-E488 PolarHBondContact OG1-N 3.42Å; T486-H489 PolarHBondContact N-ND1 2.85Å; T486-H489 WeakPolarHBondContact O-CB 3.23Å; T486-H489 PolarHBondContact O-N 3.47Å; T486-H489 PolarHBondContact OG1-CE1 3Å; T486-H489 PolarHBondContact OG1-ND1 3.36Å; T486-R490 PolarHBondContact O-N 2.73Å
487	Q	85.8	Confident	87.5	Confident	99 Å²	99	55.5 Å²	55.5	46%	0.463	28%	0.277	S	S	.	.	H	α-helix	trans	-55.5	-38.6	177.4	-174.5	62	15.8	0	0	113.1	H489 R490 E491	Q487-H489 VanDerWaalsContact C-N 3.3Å; Q487-H489 PolarHBondContact O-N 3.47Å; Q487-R490 WeakPolarHBondContact O-CB 3.44Å; Q487-R490 PolarHBondContact O-N 2.95Å; Q487-R490 VanDerWaalsContact O-N 3.1Å; Q487-E491 PolarHBondContact O-N 3.4Å
488	E	86.8	Confident	87.5	Confident	103 Å²	103	55.9 Å²	55.9	48%	0.481	28%	0.277	S	S	.	.	H	α-helix	trans	-63.4	-34.8	177	-66.4	-168.9	-148.2	0	0	112.7	K453 T486 R490 V492	K453-E488 IonicContact NZ-OE2 3.19Å; K453-E488 PolarHBondContact NZ-OE2 3.46Å; T486-E488 VanDerWaalsContact C-N 3.27Å; T486-E488 PolarHBondContact O-N 3.21Å; T486-E488 PolarHBondContact OG1-N 3.42Å; E488-R490 VanDerWaalsContact C-N 3.35Å; E488-V492 WeakPolarHBondContact O-CG2 3.37Å; E488-V492 PolarHBondContact O-N 3.27Å
489	H	89.6	Confident	87.6	Confident	2 Å²	2	58 Å²	58	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-67.1	-40	174.3	-59.1	80.4	0	0	0	110.3	T448 C449 F452 F479 L485 T486 Q487 V492 V493	T448-H489 PolarHBondContact OG1-NE2 2.94Å; C449-H489 WeakPolarHBondContact CA-NE2 3.31Å; F452-H489 HydrophobicContact CD1-CB 4.29Å; F452-H489 AromaticContact CD1-CD2 3.8Å; F452-H489 AromaticContact CD2-CD2 3.78Å; F452-H489 HydrophobicContact CE1-CB 4.02Å; F452-H489 AromaticContact CG-CD2 3.54Å; F452-H489 HydrophobicContact CZ-CB 4.24Å; F479-H489 AromaticContact CD1-CD2 3.74Å; F479-H489 AromaticContact CD1-NE2 3.88Å; F479-H489 AromaticContact CE1-CD2 3.69Å; F479-H489 AromaticContact CE1-NE2 3.51Å; L485-H489 HydrophobicContact CD1-CB 3.58Å; L485-H489 HydrophobicContact CG-CB 4.17Å; T486-H489 PolarHBondContact N-ND1 2.85Å; T486-H489 WeakPolarHBondContact O-CB 3.23Å; T486-H489 PolarHBondContact O-N 3.47Å; T486-H489 PolarHBondContact OG1-CE1 3Å; T486-H489 PolarHBondContact OG1-ND1 3.36Å; Q487-H489 VanDerWaalsContact C-N 3.3Å; Q487-H489 PolarHBondContact O-N 3.47Å; H489-V492 WeakPolarHBondContact O-CB 3.33Å; H489-V492 PolarHBondContact O-N 2.85Å; H489-V493 WeakPolarHBondContact O-CG2 3.35Å; H489-V493 PolarHBondContact O-N 3.38Å
490	R	88.3	Confident	87.4	Confident	55 Å²	55	58.6 Å²	58.6	21%	0.208	29%	0.29	C	S	.	.	H	α-helix	trans	-63.8	-40.7	177	-61.7	174.4	-178.3	-94	3	112	L485 T486 Q487 E488 V492 V493 L494 R524 V525	L485-R490 HydrophobicContact CD2-CG 3.89Å; L485-R490 HydrophobicContact CG-CG 4.14Å; T486-R490 PolarHBondContact O-N 2.73Å; Q487-R490 WeakPolarHBondContact O-CB 3.44Å; Q487-R490 PolarHBondContact O-N 2.95Å; Q487-R490 VanDerWaalsContact O-N 3.1Å; E488-R490 VanDerWaalsContact C-N 3.35Å; R490-V492 VanDerWaalsContact C-N 3.29Å; R490-V492 PolarHBondContact O-N 3.29Å; R490-V493 PolarHBondContact O-N 2.81Å; R490-L494 VanDerWaalsContact O-CB 3.24Å; R490-L494 WeakPolarHBondContact O-CB 3.49Å; R490-L494 PolarHBondContact O-N 3.08Å; R490-R524 PolarHBondContact NH1-O 2.92Å; R490-V525 PolarHBondContact NH1-O 3.43Å
491	E	89.4	Confident	87.4	Confident	109 Å²	109	57.1 Å²	57.1	51%	0.509	28%	0.283	S	S	.	.	H	α-helix	trans	-61.6	-36.1	174.1	-73.7	177	-170.7	0	0	112.5	Q487 L494 A495	Q487-E491 PolarHBondContact O-N 3.4Å; E491-L494 PolarHBondContact O-N 2.81Å; E491-A495 WeakPolarHBondContact O-CB 3.47Å; E491-A495 PolarHBondContact O-N 3.49Å
492	V	90	Very high	87.2	Confident	26 Å²	26	60.5 Å²	60.5	16%	0.158	29%	0.29	C	S	.	.	H	α-helix	trans	-71.1	-43.6	176.8	174.7	0	0	0	0	111.5	F452 K453 M456 E488 H489 R490 L494 A495 F496	F452-V492 HydrophobicContact CD1-CB 4.46Å; F452-V492 HydrophobicContact CD1-CG1 4.17Å; F452-V492 HydrophobicContact CE1-CB 4.29Å; F452-V492 HydrophobicContact CE1-CG1 4.15Å; K453-V492 HydrophobicContact CD-CG2 4.24Å; K453-V492 HydrophobicContact CG-CB 4.49Å; K453-V492 HydrophobicContact CG-CG1 4.33Å; K453-V492 HydrophobicContact CG-CG2 3.44Å; K453-V492 VanDerWaalsContact CG-CG2 3.44Å; M456-V492 HydrophobicContact CB-CG1 3.56Å; M456-V492 HydrophobicContact CE-CG1 4.49Å; M456-V492 HydrophobicContact CG-CG1 3.68Å; E488-V492 WeakPolarHBondContact O-CG2 3.37Å; E488-V492 PolarHBondContact O-N 3.27Å; H489-V492 WeakPolarHBondContact O-CB 3.33Å; H489-V492 PolarHBondContact O-N 2.85Å; R490-V492 VanDerWaalsContact C-N 3.29Å; R490-V492 PolarHBondContact O-N 3.29Å; V492-L494 VanDerWaalsContact C-N 3.3Å; V492-L494 PolarHBondContact O-N 3.34Å; V492-A495 PolarHBondContact O-N 2.81Å; V492-F496 PolarHBondContact O-N 3.42Å
493	V	89.3	Confident	87.1	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-40.2	172.9	-180	0	0	0	0	110.8	F452 M456 S476 H489 R490 F496 V497 L520 V525 L526	F452-V493 HydrophobicContact CE1-CG2 3.87Å; F452-V493 HydrophobicContact CZ-CG2 3.68Å; M456-V493 HydrophobicContact CE-CB 4.3Å; M456-V493 HydrophobicContact CE-CG2 3.95Å; M456-V493 HydrophobicContact SD-CG2 4.4Å; S476-V493 WeakPolarHBondContact OG-CG2 3.13Å; H489-V493 WeakPolarHBondContact O-CG2 3.35Å; H489-V493 PolarHBondContact O-N 3.38Å; R490-V493 PolarHBondContact O-N 2.81Å; V493-F496 PolarHBondContact O-N 2.99Å; V493-V497 HydrophobicContact CG1-CG2 4.47Å; V493-V497 WeakPolarHBondContact O-CB 3.44Å; V493-V497 VanDerWaalsContact O-CG2 3.31Å; V493-V497 WeakPolarHBondContact O-CG2 3.09Å; V493-V497 PolarHBondContact O-N 2.8Å; V493-L520 HydrophobicContact CG1-CD1 3.75Å; V493-L520 HydrophobicContact CG1-CD2 4.39Å; V493-V525 HydrophobicContact CB-CG1 4.37Å; V493-V525 HydrophobicContact CG1-CG1 3.99Å; V493-V525 HydrophobicContact CG2-CG1 4.23Å; V493-L526 HydrophobicContact CB-CD2 4.2Å; V493-L526 HydrophobicContact CG1-CD1 4.22Å; V493-L526 HydrophobicContact CG1-CD2 4.06Å; V493-L526 HydrophobicContact CG1-CG 4.25Å
494	L	89.2	Confident	86.9	Confident	16 Å²	16	51.9 Å²	51.9	8%	0.084	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-39.2	175.7	-175.9	63.8	0	0	0	112.1	R490 E491 V492 R498 L526 D530 I531	R490-L494 VanDerWaalsContact O-CB 3.24Å; R490-L494 WeakPolarHBondContact O-CB 3.49Å; R490-L494 PolarHBondContact O-N 3.08Å; E491-L494 PolarHBondContact O-N 2.81Å; V492-L494 VanDerWaalsContact C-N 3.3Å; V492-L494 PolarHBondContact O-N 3.34Å; L494-R498 VanDerWaalsContact CD2-NH1 3.33Å; L494-R498 WeakPolarHBondContact O-CB 3.42Å; L494-R498 VanDerWaalsContact O-CG 3.24Å; L494-R498 WeakPolarHBondContact O-CG 3.13Å; L494-R498 PolarHBondContact O-N 3.25Å; L494-L526 HydrophobicContact CB-CD2 4.16Å; L494-D530 HydrophobicContact CD2-CB 4.16Å; L494-I531 HydrophobicContact CD1-CB 3.96Å; L494-I531 HydrophobicContact CD1-CD1 4.27Å; L494-I531 HydrophobicContact CD1-CG1 3.73Å
495	A	88.8	Confident	86.1	Confident	52 Å²	52	55.9 Å²	55.9	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-64.6	-46.2	174.9	0	0	0	0	0	111.9	E491 V492 R498 H499	E491-A495 WeakPolarHBondContact O-CB 3.47Å; E491-A495 PolarHBondContact O-N 3.49Å; V492-A495 PolarHBondContact O-N 2.81Å; A495-R498 WeakPolarHBondContact O-CB 3.42Å; A495-R498 PolarHBondContact O-N 3.36Å; A495-H499 PolarHBondContact O-N 3.44Å
496	F	89.4	Confident	85.2	Confident	3 Å²	3	57.3 Å²	57.3	1%	0.013	29%	0.291	C	S	.	.	H	α-helix	trans	-57.9	-49.3	174.4	174.5	-89.1	0	0	0	111.2	M456 C459 E460 S468 L469 V472 V492 V493 R498 H499 T500 L516	M456-F496 HydrophobicContact CE-CB 3.46Å; M456-F496 VanDerWaalsContact CE-CB 3.46Å; M456-F496 HydrophobicContact CE-CD1 4.2Å; M456-F496 HydrophobicContact CE-CD2 4.23Å; M456-F496 HydrophobicContact CE-CG 3.7Å; C459-F496 HydrophobicContact CB-CE2 3.9Å; E460-F496 HydrophobicContact CG-CD2 3.55Å; E460-F496 HydrophobicContact CG-CE2 3.86Å; S468-F496 WeakPolarHBondContact OG-CZ 3.48Å; L469-F496 HydrophobicContact CD2-CE1 3.9Å; L469-F496 HydrophobicContact CD2-CZ 4.12Å; V472-F496 HydrophobicContact CB-CE1 4.22Å; V472-F496 HydrophobicContact CB-CZ 4.45Å; V472-F496 HydrophobicContact CG1-CD1 3.97Å; V472-F496 HydrophobicContact CG1-CE1 4.02Å; V472-F496 HydrophobicContact CG2-CD1 4.22Å; V472-F496 HydrophobicContact CG2-CD2 4.23Å; V472-F496 HydrophobicContact CG2-CE1 3.88Å; V472-F496 HydrophobicContact CG2-CE2 3.89Å; V472-F496 HydrophobicContact CG2-CG 4.4Å; V472-F496 HydrophobicContact CG2-CZ 3.71Å; V492-F496 PolarHBondContact O-N 3.42Å; V493-F496 PolarHBondContact O-N 2.99Å; F496-R498 VanDerWaalsContact C-N 3.34Å; F496-R498 PolarHBondContact O-N 3.02Å; F496-H499 WeakPolarHBondContact O-CA 3.45Å; F496-H499 VanDerWaalsContact O-CB 3.31Å; F496-H499 WeakPolarHBondContact O-CB 3.33Å; F496-H499 PolarHBondContact O-N 2.63Å; F496-H499 VanDerWaalsContact O-N 3.09Å; F496-T500 PolarHBondContact O-N 3.06Å; F496-T500 PolarHBondContact O-OG1 3.2Å; F496-L516 HydrophobicContact CE1-CD2 3.99Å
497	V	87.6	Confident	84.3	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-62.6	-40.3	178.5	169.4	0	0	0	0	111.8	V493 H499 T500 I501 L516 V517 L520 L526 I531	V493-V497 HydrophobicContact CG1-CG2 4.47Å; V493-V497 WeakPolarHBondContact O-CB 3.44Å; V493-V497 VanDerWaalsContact O-CG2 3.31Å; V493-V497 WeakPolarHBondContact O-CG2 3.09Å; V493-V497 PolarHBondContact O-N 2.8Å; V497-H499 VanDerWaalsContact C-N 3.32Å; V497-H499 PolarHBondContact O-N 2.88Å; V497-T500 PolarHBondContact O-N 2.87Å; V497-I501 HydrophobicContact CG1-CD1 3.73Å; V497-I501 HydrophobicContact CG1-CG1 4.37Å; V497-I501 WeakPolarHBondContact O-CB 3.42Å; V497-I501 VanDerWaalsContact O-CG1 3.3Å; V497-I501 WeakPolarHBondContact O-CG1 3.38Å; V497-I501 PolarHBondContact O-N 3.44Å; V497-L516 HydrophobicContact CG2-CD2 4.43Å; V497-V517 HydrophobicContact CG1-CG2 3.57Å; V497-L520 HydrophobicContact CG2-CD1 3.73Å; V497-L526 HydrophobicContact CG2-CD1 4.24Å; V497-I531 HydrophobicContact CG1-CD1 3.59Å
498	R	88.1	Confident	83.7	Confident	75 Å²	75	60.1 Å²	60.1	28%	0.283	30%	0.295	S	S	.	.	H	α-helix	trans	-62.5	-37.6	172.7	-79.3	171.9	167.2	143.8	12.4	112.5	L494 A495 F496 R502 D530 D534	L494-R498 VanDerWaalsContact CD2-NH1 3.33Å; L494-R498 WeakPolarHBondContact O-CB 3.42Å; L494-R498 VanDerWaalsContact O-CG 3.24Å; L494-R498 WeakPolarHBondContact O-CG 3.13Å; L494-R498 PolarHBondContact O-N 3.25Å; A495-R498 WeakPolarHBondContact O-CB 3.42Å; A495-R498 PolarHBondContact O-N 3.36Å; F496-R498 VanDerWaalsContact C-N 3.34Å; F496-R498 PolarHBondContact O-N 3.02Å; R498-R502 WeakPolarHBondContact O-CD 3.38Å; R498-R502 WeakPolarHBondContact O-CG 3.42Å; R498-R502 PolarHBondContact O-N 2.91Å; R498-D530 PolarHBondContact NH2-O 3.03Å; R498-D530 VanDerWaalsContact NH2-O 3.14Å; R498-D534 HydrophobicContact CG-CB 4.45Å; R498-D534 IonicContact CZ-OD2 3.18Å; R498-D534 VanDerWaalsContact CZ-OD2 3.27Å; R498-D534 IonicContact NE-OD1 3.67Å; R498-D534 IonicContact NE-OD2 2.67Å; R498-D534 PolarHBondContact NE-OD2 2.7Å; R498-D534 IonicContact NH2-OD2 2.83Å; R498-D534 PolarHBondContact NH2-OD2 3.1Å
499	H	87.6	Confident	82.9	Confident	70 Å²	70	56.8 Å²	56.8	32%	0.324	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-55.9	171.9	177.8	105.9	0	0	0	109.5	E460 A495 F496 V497 I501 R502 T503	E460-H499 IonicContact OE2-ND1 2.95Å; A495-H499 PolarHBondContact O-N 3.44Å; F496-H499 WeakPolarHBondContact O-CA 3.45Å; F496-H499 VanDerWaalsContact O-CB 3.31Å; F496-H499 WeakPolarHBondContact O-CB 3.33Å; F496-H499 PolarHBondContact O-N 2.63Å; F496-H499 VanDerWaalsContact O-N 3.09Å; V497-H499 VanDerWaalsContact C-N 3.32Å; V497-H499 PolarHBondContact O-N 2.88Å; H499-I501 VanDerWaalsContact C-N 3.31Å; H499-I501 PolarHBondContact O-N 3.38Å; H499-R502 WeakPolarHBondContact O-CA 3.48Å; H499-R502 WeakPolarHBondContact O-CB 3.47Å; H499-R502 PolarHBondContact O-N 2.82Å; H499-T503 PolarHBondContact CD2-OG1 2.91Å; H499-T503 PolarHBondContact NE2-OG1 3.25Å; H499-T503 PolarHBondContact O-N 3.16Å; H499-T503 PolarHBondContact O-OG1 2.67Å; H499-T503 VanDerWaalsContact O-OG1 3.04Å
500	T	84.3	Confident	82.2	Confident	13 Å²	13	56.7 Å²	56.7	8%	0.08	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-34.5	-175.9	-26.7	0	0	0	0	113	L469 F496 V497 R502 C504 V513	L469-T500 HydrophobicContact CD2-CG2 4.31Å; F496-T500 PolarHBondContact O-N 3.06Å; F496-T500 PolarHBondContact O-OG1 3.2Å; V497-T500 PolarHBondContact O-N 2.87Å; T500-R502 VanDerWaalsContact C-N 3.28Å; T500-R502 PolarHBondContact O-N 2.81Å; T500-C504 WeakPolarHBondContact O-CB 3.39Å; T500-C504 PolarHBondContact O-N 2.82Å; T500-C504 PolarHBondContact O-SG 2.67Å; T500-C504 VanDerWaalsContact O-SG 3.41Å; T500-V513 HydrophobicContact CG2-CG2 3.48Å; T500-V513 VanDerWaalsContact CG2-CG2 3.48Å
501	I	85.9	Confident	81.8	Confident	23 Å²	23	55.6 Å²	55.6	12%	0.118	28%	0.277	C	S	.	.	H	α-helix	trans	-66	-28.8	173.6	-74.2	170.7	0	0	0	112.4	V497 H499 C504 V513 V517 V535 F538	V497-I501 HydrophobicContact CG1-CD1 3.73Å; V497-I501 HydrophobicContact CG1-CG1 4.37Å; V497-I501 WeakPolarHBondContact O-CB 3.42Å; V497-I501 VanDerWaalsContact O-CG1 3.3Å; V497-I501 WeakPolarHBondContact O-CG1 3.38Å; V497-I501 PolarHBondContact O-N 3.44Å; H499-I501 VanDerWaalsContact C-N 3.31Å; H499-I501 PolarHBondContact O-N 3.38Å; I501-C504 PolarHBondContact O-SG 3.17Å; I501-V513 HydrophobicContact CG1-CG1 3.66Å; I501-V517 HydrophobicContact CD1-CG2 4.46Å; I501-V535 HydrophobicContact CD1-CG2 3.63Å; I501-F538 HydrophobicContact CG1-CD2 4.46Å; I501-F538 HydrophobicContact CG1-CG 4.4Å; I501-F538 HydrophobicContact CG2-CB 3.91Å; I501-F538 HydrophobicContact CG2-CD2 3.85Å; I501-F538 HydrophobicContact CG2-CG 3.99Å
502	R	84.5	Confident	81.2	Confident	188 Å²	188	51.9 Å²	51.9	71%	0.709	26%	0.261	S	S	*	.	H	α-helix	trans	-84.8	-33.7	178.1	-70.1	169.5	-170.7	175.2	4.4	112.6	R498 H499 T500	R498-R502 WeakPolarHBondContact O-CD 3.38Å; R498-R502 WeakPolarHBondContact O-CG 3.42Å; R498-R502 PolarHBondContact O-N 2.91Å; H499-R502 WeakPolarHBondContact O-CA 3.48Å; H499-R502 WeakPolarHBondContact O-CB 3.47Å; H499-R502 PolarHBondContact O-N 2.82Å; T500-R502 VanDerWaalsContact C-N 3.28Å; T500-R502 PolarHBondContact O-N 2.81Å
503	T	81.3	Confident	80.6	Confident	78 Å²	78	50.8 Å²	50.8	48%	0.479	25%	0.254	S	S	.	.	H	α-helix	trans	-98.1	-4.3	-176.7	56.3	0	0	0	0	114.2	H499 E505	H499-T503 PolarHBondContact CD2-OG1 2.91Å; H499-T503 PolarHBondContact NE2-OG1 3.25Å; H499-T503 PolarHBondContact O-N 3.16Å; H499-T503 PolarHBondContact O-OG1 2.67Å; H499-T503 VanDerWaalsContact O-OG1 3.04Å; T503-E505 PolarHBondContact O-N 3.1Å
504	C	78.6	Confident	79.9	Confident	7 Å²	7	50.8 Å²	50.8	5%	0.047	25%	0.254	C	S	.	.			trans	-69.2	116.7	178.4	60.4	0	0	0	0	112.6	T500 I501 T509 V513	T500-C504 WeakPolarHBondContact O-CB 3.39Å; T500-C504 PolarHBondContact O-N 2.82Å; T500-C504 PolarHBondContact O-SG 2.67Å; T500-C504 VanDerWaalsContact O-SG 3.41Å; I501-C504 PolarHBondContact O-SG 3.17Å; C504-T509 HydrophobicContact CB-CG2 3.79Å; C504-V513 HydrophobicContact CB-CG2 4.21Å
505	E	68.2	Low	79.6	Confident	164 Å²	164	50.7 Å²	50.7	77%	0.766	25%	0.253	S	S	*	.			trans	-119.9	142.2	171.1	-62	-169.3	162.4	0	0	110.3	T503 T509	T503-E505 PolarHBondContact O-N 3.1Å; E505-T509 WeakPolarHBondContact O-CB 3.35Å; E505-T509 PolarHBondContact O-OG1 3.17Å
506	G	69.2	Low	79.4	Confident	48 Å²	48	48.8 Å²	48.8	50%	0.495	24%	0.236	S	C	.	.	S	Bend	trans	80.7	142.6	-176.9	0	0	0	0	0	115	R508 T509 V510	G506-R508 VanDerWaalsContact C-N 3.26Å; G506-R508 PolarHBondContact O-N 3.06Å; G506-R508 VanDerWaalsContact O-N 3.16Å; G506-T509 WeakPolarHBondContact O-CB 3.13Å; G506-T509 PolarHBondContact O-N 2.83Å; G506-V510 PolarHBondContact O-N 2.89Å; G506-V510 VanDerWaalsContact O-N 3.13Å
507	D	69.3	Low	79	Confident	79 Å²	79	48.6 Å²	48.6	42%	0.422	24%	0.235	S	C	.	.	H	α-helix	trans	-58.5	-33.3	-171.9	-53.2	-19.8	0	0	0	114	K25 T509 R511	K25-D507 HydrophobicContact CD-CB 3.47Å; K25-D507 VanDerWaalsContact CD-CB 3.47Å; K25-D507 IonicContact NZ-OD2 2.87Å; K25-D507 PolarHBondContact NZ-OD2 3.25Å; D507-T509 VanDerWaalsContact C-N 3.33Å; D507-R511 WeakPolarHBondContact O-CB 3.37Å; D507-R511 PolarHBondContact O-N 3.5Å
508	R	71.8	Confident	78.8	Confident	149 Å²	149	50.4 Å²	50.4	56%	0.562	24%	0.243	S	C	*	.	H	α-helix	trans	-65.2	-38.2	178	-177.2	179.8	175.7	-167.3	-2.6	111.3	G506 R511 L512	G506-R508 VanDerWaalsContact C-N 3.26Å; G506-R508 PolarHBondContact O-N 3.06Å; G506-R508 VanDerWaalsContact O-N 3.16Å; R508-R511 WeakPolarHBondContact O-CB 3.43Å; R508-L512 HydrophobicContact CG-CD1 4.3Å; R508-L512 WeakPolarHBondContact O-CD1 3.39Å; R508-L512 VanDerWaalsContact O-CG 3.28Å; R508-L512 WeakPolarHBondContact O-CG 3.43Å; R508-L512 PolarHBondContact O-N 2.83Å; R508-L512 VanDerWaalsContact O-N 3.1Å
509	T	71.1	Confident	78.5	Confident	33 Å²	33	49.9 Å²	49.9	20%	0.202	24%	0.242	C	C	.	.	H	α-helix	trans	-71.2	-47.9	178.5	-43.3	0	0	0	0	110.2	T465 C504 E505 G506 D507 R511 L512 V513	T465-T509 HydrophobicContact CG2-CG2 4.21Å; C504-T509 HydrophobicContact CB-CG2 3.79Å; E505-T509 WeakPolarHBondContact O-CB 3.35Å; E505-T509 PolarHBondContact O-OG1 3.17Å; G506-T509 WeakPolarHBondContact O-CB 3.13Å; G506-T509 PolarHBondContact O-N 2.83Å; D507-T509 VanDerWaalsContact C-N 3.33Å; T509-R511 VanDerWaalsContact C-N 3.26Å; T509-R511 PolarHBondContact O-N 3.44Å; T509-L512 PolarHBondContact O-N 2.89Å; T509-L512 VanDerWaalsContact O-N 3.17Å; T509-V513 WeakPolarHBondContact O-CG2 3.44Å; T509-V513 PolarHBondContact O-N 3.33Å
510	V	74.1	Confident	78.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-52.5	-47.9	172.9	173.2	0	0	0	0	110.4	G506 L512 V513 A514 F538 Y542	G506-V510 PolarHBondContact O-N 2.89Å; G506-V510 VanDerWaalsContact O-N 3.13Å; V510-L512 PolarHBondContact O-N 3.15Å; V510-V513 PolarHBondContact O-N 3.06Å; V510-A514 PolarHBondContact O-N 3.38Å; V510-F538 HydrophobicContact CB-CZ 4.45Å; V510-F538 HydrophobicContact CG1-CE2 4.11Å; V510-F538 HydrophobicContact CG1-CZ 3.76Å; V510-Y542 HydrophobicContact CG1-CD1 4.09Å; V510-Y542 HydrophobicContact CG1-CD2 3.66Å; V510-Y542 HydrophobicContact CG1-CE2 4.2Å; V510-Y542 HydrophobicContact CG1-CG 3.61Å; V510-Y542 HydrophobicContact CG2-CD1 4.15Å; V510-Y542 HydrophobicContact CG2-CD2 4.15Å; V510-Y542 HydrophobicContact CG2-CE1 3.83Å; V510-Y542 HydrophobicContact CG2-CE2 3.84Å; V510-Y542 HydrophobicContact CG2-CG 4.31Å
511	R	80.1	Confident	78.3	Confident	32 Å²	32	46.3 Å²	46.3	12%	0.121	23%	0.225	C	C	.	.	H	α-helix	trans	-56.2	-45	177.3	168.5	175.5	116.6	154.9	10.3	113.8	K25 E26 E28 N29 E32 D507 R508 T509 M515	K25-R511 WeakPolarHBondContact O-CD 3.32Å; K25-R511 WeakPolarHBondContact O-CG 3.24Å; E26-R511 HydrophobicContact CB-CG 4.42Å; E26-R511 VanDerWaalsContact CG-CA 3.48Å; E26-R511 HydrophobicContact CG-CB 3.5Å; E26-R511 VanDerWaalsContact CG-CB 3.5Å; E26-R511 HydrophobicContact CG-CG 3.51Å; E26-R511 VanDerWaalsContact OE1-CA 3.27Å; E26-R511 WeakPolarHBondContact OE1-CA 3.26Å; E28-R511 IonicContact OE2-NH1 3.08Å; N29-R511 HydrophobicContact CB-CG 3.55Å; N29-R511 VanDerWaalsContact CG-CZ 3.42Å; N29-R511 VanDerWaalsContact ND2-CG 3.27Å; N29-R511 WeakPolarHBondContact ND2-CG 3.25Å; N29-R511 PolarHBondContact ND2-NE 3.36Å; N29-R511 VanDerWaalsContact ND2-NE 3.14Å; N29-R511 PolarHBondContact OD1-NE 2.85Å; N29-R511 PolarHBondContact OD1-NH2 2.88Å; E32-R511 IonicContact OE1-CZ 2.81Å; E32-R511 IonicContact OE1-NH1 2.8Å; E32-R511 PolarHBondContact OE1-NH1 3.24Å; E32-R511 IonicContact OE1-NH2 3.77Å; E32-R511 IonicContact OE2-CZ 3.43Å; E32-R511 IonicContact OE2-NH1 2.89Å; E32-R511 PolarHBondContact OE2-NH1 3.3Å; E32-R511 IonicContact OE2-NH2 2.64Å; E32-R511 PolarHBondContact OE2-NH2 2.92Å; D507-R511 WeakPolarHBondContact O-CB 3.37Å; D507-R511 PolarHBondContact O-N 3.5Å; R508-R511 WeakPolarHBondContact O-CB 3.43Å; T509-R511 VanDerWaalsContact C-N 3.26Å; T509-R511 PolarHBondContact O-N 3.44Å; R511-M515 WeakPolarHBondContact O-CG 3.44Å; R511-M515 PolarHBondContact O-N 3.46Å
512	L	76.6	Confident	78.2	Confident	32 Å²	32	54.9 Å²	54.9	17%	0.168	26%	0.256	C	S	.	.	H	α-helix	trans	-71.2	-36.3	178.1	-69.8	164.3	0	0	0	112.2	V466 L469 R508 T509 V510 L516	V466-L512 HydrophobicContact CG2-CD1 3.78Å; L469-L512 HydrophobicContact CD1-CB 3.6Å; R508-L512 HydrophobicContact CG-CD1 4.3Å; R508-L512 WeakPolarHBondContact O-CD1 3.39Å; R508-L512 VanDerWaalsContact O-CG 3.28Å; R508-L512 WeakPolarHBondContact O-CG 3.43Å; R508-L512 PolarHBondContact O-N 2.83Å; R508-L512 VanDerWaalsContact O-N 3.1Å; T509-L512 PolarHBondContact O-N 2.89Å; T509-L512 VanDerWaalsContact O-N 3.17Å; V510-L512 PolarHBondContact O-N 3.15Å; L512-L516 PolarHBondContact O-N 3.49Å
513	V	78.3	Confident	78	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-65.8	-45.4	175.8	172.7	0	0	0	0	111.3	T500 I501 C504 T509 V510 M515 L516 V517 F538	T500-V513 HydrophobicContact CG2-CG2 3.48Å; T500-V513 VanDerWaalsContact CG2-CG2 3.48Å; I501-V513 HydrophobicContact CG1-CG1 3.66Å; C504-V513 HydrophobicContact CB-CG2 4.21Å; T509-V513 WeakPolarHBondContact O-CG2 3.44Å; T509-V513 PolarHBondContact O-N 3.33Å; V510-V513 PolarHBondContact O-N 3.06Å; V513-M515 VanDerWaalsContact C-N 3.33Å; V513-M515 PolarHBondContact O-N 3.29Å; V513-L516 PolarHBondContact O-N 3.05Å; V513-V517 HydrophobicContact CG1-CG2 4.46Å; V513-V517 WeakPolarHBondContact O-CG2 3.43Å; V513-V517 PolarHBondContact O-N 2.93Å; V513-F538 HydrophobicContact CB-CZ 4.21Å; V513-F538 HydrophobicContact CG1-CE1 4.22Å; V513-F538 HydrophobicContact CG1-CZ 3.93Å
514	A	73.8	Confident	78.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-41.5	178	0	0	0	0	0	112.2	E26 V510 K518 F538 E547 L551	E26-A514 WeakPolarHBondContact OE1-CB 3.42Å; V510-A514 PolarHBondContact O-N 3.38Å; A514-K518 VanDerWaalsContact O-CB 3.24Å; A514-K518 WeakPolarHBondContact O-CB 3.32Å; A514-K518 PolarHBondContact O-N 3.04Å; A514-F538 HydrophobicContact CB-CE1 4.31Å; A514-E547 HydrophobicContact CB-CB 3.93Å; A514-L551 HydrophobicContact CB-CD2 4.27Å
515	M	83.1	Confident	78.4	Confident	13 Å²	13	54.2 Å²	54.2	6%	0.064	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-48.3	171.6	-73.1	-176.6	89.3	0	0	113	N29 D30 M33 R511 V513 V517 K518 K519 E547	N29-M515 HydrophobicContact CB-CE 4.24Å; N29-M515 HydrophobicContact CB-CG 3.98Å; N29-M515 HydrophobicContact CB-SD 3.38Å; N29-M515 WeakPolarHBondContact CB-SD 3.35Å; N29-M515 PolarHBondContact ND2-SD 3.44Å; N29-M515 WeakPolarHBondContact O-CE 3Å; D30-M515 HydrophobicContact CB-CE 4.31Å; D30-M515 WeakPolarHBondContact OD1-CE 3.37Å; M33-M515 HydrophobicContact CB-CE 4.42Å; M33-M515 HydrophobicContact CE-CE 3.27Å; R511-M515 WeakPolarHBondContact O-CG 3.44Å; R511-M515 PolarHBondContact O-N 3.46Å; V513-M515 VanDerWaalsContact C-N 3.33Å; V513-M515 PolarHBondContact O-N 3.29Å; M515-V517 VanDerWaalsContact C-N 3.32Å; M515-V517 PolarHBondContact O-N 2.93Å; M515-K518 PolarHBondContact O-N 3.37Å; M515-K519 WeakPolarHBondContact O-CB 3.32Å; M515-K519 PolarHBondContact O-N 2.84Å; M515-E547 HydrophobicContact CG-CG 3.93Å
516	L	83.9	Confident	79.3	Confident	12 Å²	12	46.8 Å²	46.8	6%	0.063	21%	0.212	C	C	.	.	H	α-helix	trans	-57.6	-50.4	-178.9	177.6	66.7	0	0	0	109.4	L469 L473 F496 V497 L512 V513 K518 K519 L520	L469-L516 HydrophobicContact CB-CD2 4.29Å; L469-L516 HydrophobicContact CD2-CB 4.36Å; L469-L516 HydrophobicContact CD2-CD2 3.34Å; L469-L516 HydrophobicContact CD2-CG 4.38Å; L469-L516 HydrophobicContact CG-CD2 4.33Å; L473-L516 HydrophobicContact CB-CD1 3.94Å; L473-L516 HydrophobicContact CD1-CD1 4.27Å; F496-L516 HydrophobicContact CE1-CD2 3.99Å; V497-L516 HydrophobicContact CG2-CD2 4.43Å; L512-L516 PolarHBondContact O-N 3.49Å; V513-L516 PolarHBondContact O-N 3.05Å; L516-K518 VanDerWaalsContact C-N 3.35Å; L516-K518 PolarHBondContact O-N 3.35Å; L516-K519 PolarHBondContact O-N 2.73Å; L516-K519 VanDerWaalsContact O-N 3.16Å; L516-L520 HydrophobicContact CD1-CD1 3.96Å; L516-L520 HydrophobicContact CD1-CD2 4.21Å; L516-L520 HydrophobicContact CD1-CG 3.85Å; L516-L520 HydrophobicContact CD2-CD1 4.06Å; L516-L520 HydrophobicContact CG-CD1 3.69Å; L516-L520 HydrophobicContact CG-CG 4.01Å; L516-L520 WeakPolarHBondContact O-CB 3.24Å; L516-L520 VanDerWaalsContact O-CG 3.26Å; L516-L520 WeakPolarHBondContact O-CG 3.32Å; L516-L520 PolarHBondContact O-N 3.01Å
517	V	82.1	Confident	80.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58	-47.2	179	176.2	0	0	0	0	111.4	V497 I501 V513 M515 K519 L520 L521 I531 V535 L551	V497-V517 HydrophobicContact CG1-CG2 3.57Å; I501-V517 HydrophobicContact CD1-CG2 4.46Å; V513-V517 HydrophobicContact CG1-CG2 4.46Å; V513-V517 WeakPolarHBondContact O-CG2 3.43Å; V513-V517 PolarHBondContact O-N 2.93Å; M515-V517 VanDerWaalsContact C-N 3.32Å; M515-V517 PolarHBondContact O-N 2.93Å; V517-K519 VanDerWaalsContact C-N 3.29Å; V517-K519 PolarHBondContact O-N 3.19Å; V517-L520 PolarHBondContact O-N 3Å; V517-L521 HydrophobicContact CG1-CD1 4.09Å; V517-L521 HydrophobicContact CG1-CG 4.46Å; V517-L521 WeakPolarHBondContact O-CB 3.45Å; V517-L521 VanDerWaalsContact O-CG 3.31Å; V517-L521 WeakPolarHBondContact O-CG 3.47Å; V517-L521 PolarHBondContact O-N 3.1Å; V517-I531 HydrophobicContact CG1-CD1 3.82Å; V517-I531 HydrophobicContact CG2-CD1 4.31Å; V517-V535 HydrophobicContact CG1-CG1 4.35Å; V517-V535 HydrophobicContact CG1-CG2 3.87Å; V517-V535 HydrophobicContact CG2-CG2 4.43Å; V517-L551 HydrophobicContact CB-CD1 4.45Å; V517-L551 HydrophobicContact CB-CD2 3.97Å; V517-L551 HydrophobicContact CG1-CD1 3.85Å; V517-L551 HydrophobicContact CG1-CD2 3.89Å; V517-L551 HydrophobicContact CG1-CG 4.49Å
518	K	82.7	Confident	80.8	Confident	40 Å²	40	44.4 Å²	44.4	17%	0.174	19%	0.188	C	C	.	.	H	α-helix	trans	-58.2	-40.9	177.6	-174.3	-173.4	178.4	-164.7	0	112.1	D30 A514 M515 L516 R522 E547 L551	D30-K518 WeakPolarHBondContact OD2-CD 3.22Å; D30-K518 VanDerWaalsContact OD2-CE 3.31Å; D30-K518 WeakPolarHBondContact OD2-CE 3.49Å; D30-K518 IonicContact OD2-NZ 3.33Å; D30-K518 PolarHBondContact OD2-NZ 3.45Å; A514-K518 VanDerWaalsContact O-CB 3.24Å; A514-K518 WeakPolarHBondContact O-CB 3.32Å; A514-K518 PolarHBondContact O-N 3.04Å; M515-K518 PolarHBondContact O-N 3.37Å; L516-K518 VanDerWaalsContact C-N 3.35Å; L516-K518 PolarHBondContact O-N 3.35Å; K518-R522 WeakPolarHBondContact O-CB 3.45Å; K518-R522 PolarHBondContact O-N 2.81Å; K518-E547 IonicContact NZ-OE1 3.88Å; K518-E547 IonicContact NZ-OE2 2.67Å; K518-E547 PolarHBondContact NZ-OE2 3.28Å; K518-L551 HydrophobicContact CB-CD1 4.04Å
519	K	82.9	Confident	81.4	Confident	64 Å²	64	43.2 Å²	43.2	28%	0.278	19%	0.189	S	C	.	.	H	α-helix	trans	-74	-42.7	179.4	-158.5	163.7	178.8	179.3	0	111.9	L473 M515 L516 V517 L521 R522 E523	L473-K519 HydrophobicContact CD1-CB 4.35Å; L473-K519 HydrophobicContact CD1-CD 4.18Å; L473-K519 HydrophobicContact CD1-CG 4Å; L473-K519 HydrophobicContact CD2-CD 3.66Å; L473-K519 HydrophobicContact CD2-CG 4.4Å; M515-K519 WeakPolarHBondContact O-CB 3.32Å; M515-K519 PolarHBondContact O-N 2.84Å; L516-K519 PolarHBondContact O-N 2.73Å; L516-K519 VanDerWaalsContact O-N 3.16Å; V517-K519 VanDerWaalsContact C-N 3.29Å; V517-K519 PolarHBondContact O-N 3.19Å; K519-L521 VanDerWaalsContact C-N 3.3Å; K519-L521 PolarHBondContact O-N 3.05Å; K519-R522 PolarHBondContact O-N 3.35Å; K519-R522 VanDerWaalsContact O-N 3.16Å; K519-E523 HydrophobicContact CG-CG 4.41Å; K519-E523 WeakPolarHBondContact O-CB 3.44Å; K519-E523 VanDerWaalsContact O-CG 3.3Å; K519-E523 WeakPolarHBondContact O-CG 3.47Å; K519-E523 PolarHBondContact O-N 3.29Å
520	L	82.6	Confident	82	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-35	173.9	-67.9	177.1	0	0	0	112.7	L473 V493 V497 L516 V517 R524 V525 L526	L473-L520 HydrophobicContact CD1-CD2 4.04Å; V493-L520 HydrophobicContact CG1-CD1 3.75Å; V493-L520 HydrophobicContact CG1-CD2 4.39Å; V497-L520 HydrophobicContact CG2-CD1 3.73Å; L516-L520 HydrophobicContact CD1-CD1 3.96Å; L516-L520 HydrophobicContact CD1-CD2 4.21Å; L516-L520 HydrophobicContact CD1-CG 3.85Å; L516-L520 HydrophobicContact CD2-CD1 4.06Å; L516-L520 HydrophobicContact CG-CD1 3.69Å; L516-L520 HydrophobicContact CG-CG 4.01Å; L516-L520 WeakPolarHBondContact O-CB 3.24Å; L516-L520 VanDerWaalsContact O-CG 3.26Å; L516-L520 WeakPolarHBondContact O-CG 3.32Å; L516-L520 PolarHBondContact O-N 3.01Å; V517-L520 PolarHBondContact O-N 3Å; L520-R524 PolarHBondContact O-N 2.59Å; L520-V525 HydrophobicContact CB-CB 4.2Å; L520-V525 HydrophobicContact CD2-CB 3.95Å; L520-V525 HydrophobicContact CD2-CG1 4.04Å; L520-V525 HydrophobicContact CD2-CG2 3.82Å; L520-V525 WeakPolarHBondContact O-CB 3.41Å; L520-V525 PolarHBondContact O-N 3.09Å; L520-L526 HydrophobicContact CB-CD1 4.12Å; L520-L526 HydrophobicContact CB-CG 4.29Å; L520-L526 HydrophobicContact CD1-CD1 3.96Å; L520-L526 PolarHBondContact O-N 3.4Å
521	L	83.6	Confident	82.6	Confident	7 Å²	7	44.6 Å²	44.6	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-69.8	-45	171.6	-70.7	173.7	0	0	0	111.9	V517 K519 E523 R524 L526 V528 I531 L551 M555 M558	V517-L521 HydrophobicContact CG1-CD1 4.09Å; V517-L521 HydrophobicContact CG1-CG 4.46Å; V517-L521 WeakPolarHBondContact O-CB 3.45Å; V517-L521 VanDerWaalsContact O-CG 3.31Å; V517-L521 WeakPolarHBondContact O-CG 3.47Å; V517-L521 PolarHBondContact O-N 3.1Å; K519-L521 VanDerWaalsContact C-N 3.3Å; K519-L521 PolarHBondContact O-N 3.05Å; L521-E523 PolarHBondContact O-N 2.75Å; L521-R524 PolarHBondContact O-N 2.96Å; L521-R524 VanDerWaalsContact O-N 3.08Å; L521-L526 HydrophobicContact CD2-CB 4.09Å; L521-L526 WeakPolarHBondContact CD2-O 3.25Å; L521-V528 HydrophobicContact CD2-CG2 3.98Å; L521-I531 HydrophobicContact CD2-CG2 4.11Å; L521-L551 HydrophobicContact CD1-CD1 3.85Å; L521-M555 HydrophobicContact CD1-CG 3.74Å; L521-M555 HydrophobicContact CD1-SD 4.28Å; L521-M558 HydrophobicContact CB-CE 3.91Å; L521-M558 HydrophobicContact CD1-CE 3.98Å; L521-M558 HydrophobicContact CG-CE 4.49Å
522	R	84.1	Confident	82.8	Confident	203 Å²	203	43.7 Å²	43.7	77%	0.766	20%	0.195	S	C	*	.	H	α-helix	trans	-62.1	-42.9	179.6	-177.2	179.4	177.5	179.5	-1.6	112.6	K518 K519 R524	K518-R522 WeakPolarHBondContact O-CB 3.45Å; K518-R522 PolarHBondContact O-N 2.81Å; K519-R522 PolarHBondContact O-N 3.35Å; K519-R522 VanDerWaalsContact O-N 3.16Å; R522-R524 PolarHBondContact O-N 3.1Å
523	E	81.1	Confident	83.1	Confident	67 Å²	67	46 Å²	46	31%	0.313	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	3.1	176.5	-57.5	-65.9	172.1	0	0	112.6	I480 K519 L521 V525	I480-E523 WeakPolarHBondContact CD1-O 3.38Å; K519-E523 HydrophobicContact CG-CG 4.41Å; K519-E523 WeakPolarHBondContact O-CB 3.44Å; K519-E523 VanDerWaalsContact O-CG 3.3Å; K519-E523 WeakPolarHBondContact O-CG 3.47Å; K519-E523 PolarHBondContact O-N 3.29Å; L521-E523 PolarHBondContact O-N 2.75Å; E523-V525 VanDerWaalsContact C-N 3.27Å; E523-V525 HydrophobicContact CB-CG2 4.24Å; E523-V525 PolarHBondContact O-N 3.18Å
524	R	82.9	Confident	83.4	Confident	192 Å²	192	47.5 Å²	47.5	73%	0.725	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	30.1	-179.9	-51.8	-179.9	178.8	-178.2	-1	114.7	R490 L520 L521 R522	R490-R524 PolarHBondContact NH1-O 2.92Å; L520-R524 PolarHBondContact O-N 2.59Å; L521-R524 PolarHBondContact O-N 2.96Å; L521-R524 VanDerWaalsContact O-N 3.08Å; R522-R524 PolarHBondContact O-N 3.1Å
525	V	85.6	Confident	83.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-70.8	-40.3	168.8	-175.7	0	0	0	0	110.6	I480 L485 R490 V493 L520 E523	I480-V525 HydrophobicContact CD1-CB 4.1Å; I480-V525 HydrophobicContact CD1-CG2 3.46Å; I480-V525 VanDerWaalsContact CD1-CG2 3.46Å; L485-V525 HydrophobicContact CD2-CB 4.46Å; L485-V525 HydrophobicContact CD2-CG1 3.95Å; R490-V525 PolarHBondContact NH1-O 3.43Å; V493-V525 HydrophobicContact CB-CG1 4.37Å; V493-V525 HydrophobicContact CG1-CG1 3.99Å; V493-V525 HydrophobicContact CG2-CG1 4.23Å; L520-V525 HydrophobicContact CB-CB 4.2Å; L520-V525 HydrophobicContact CD2-CB 3.95Å; L520-V525 HydrophobicContact CD2-CG1 4.04Å; L520-V525 HydrophobicContact CD2-CG2 3.82Å; L520-V525 WeakPolarHBondContact O-CB 3.41Å; L520-V525 PolarHBondContact O-N 3.09Å; E523-V525 VanDerWaalsContact C-N 3.27Å; E523-V525 HydrophobicContact CB-CG2 4.24Å; E523-V525 PolarHBondContact O-N 3.18Å
526	L	86.6	Confident	83.8	Confident	8 Å²	8	49.6 Å²	49.6	4%	0.042	24%	0.235	C	C	.	.	S	Bend	trans	-119.9	149.2	179	-61.5	178.1	0	0	0	110.3	V493 L494 V497 L520 L521 I531	V493-L526 HydrophobicContact CB-CD2 4.2Å; V493-L526 HydrophobicContact CG1-CD1 4.22Å; V493-L526 HydrophobicContact CG1-CD2 4.06Å; V493-L526 HydrophobicContact CG1-CG 4.25Å; L494-L526 HydrophobicContact CB-CD2 4.16Å; V497-L526 HydrophobicContact CG2-CD1 4.24Å; L520-L526 HydrophobicContact CB-CD1 4.12Å; L520-L526 HydrophobicContact CB-CG 4.29Å; L520-L526 HydrophobicContact CD1-CD1 3.96Å; L520-L526 PolarHBondContact O-N 3.4Å; L521-L526 HydrophobicContact CD2-CB 4.09Å; L521-L526 WeakPolarHBondContact CD2-O 3.25Å; L526-I531 HydrophobicContact CD1-CD1 3.91Å
527	N	85.8	Confident	83.7	Confident	67 Å²	67	52.9 Å²	52.9	36%	0.358	26%	0.257	S	S	.	.			trans	-89.4	155.4	170	-50.2	-55.7	0	0	0	109.9	E529 D530	N527-E529 VanDerWaalsContact C-N 3.32Å; N527-D530 WeakPolarHBondContact CB-OD2 3.45Å; N527-D530 PolarHBondContact ND2-OD2 3.13Å
528	V	84.3	Confident	83.7	Confident	11 Å²	11	53.2 Å²	53.2	7%	0.067	26%	0.258	C	S	.	.	H	α-helix	trans	-72.8	-32.6	-178.4	-172.6	0	0	0	0	110.7	L521 A532 M555 M558 Q559	L521-V528 HydrophobicContact CD2-CG2 3.98Å; V528-A532 WeakPolarHBondContact O-CB 3.17Å; V528-A532 PolarHBondContact O-N 3.45Å; V528-M555 HydrophobicContact CG1-CB 3.79Å; V528-M555 HydrophobicContact CG1-CE 3.73Å; V528-M555 HydrophobicContact CG1-CG 3.93Å; V528-M558 HydrophobicContact CG2-CB 3.79Å; V528-M558 HydrophobicContact CG2-CE 3.93Å; V528-M558 HydrophobicContact CG2-SD 4.22Å; V528-Q559 HydrophobicContact CB-CG 4.24Å; V528-Q559 HydrophobicContact CG1-CG 3.67Å
529	E	85	Confident	83.6	Confident	123 Å²	123	51.5 Å²	51.5	58%	0.575	25%	0.251	S	S	*	.	H	α-helix	trans	-60.8	-48.1	179.2	-64.9	61.9	-135.8	0	0	111.2	N527 I531	N527-E529 VanDerWaalsContact C-N 3.32Å; E529-I531 VanDerWaalsContact C-N 3.28Å; E529-I531 PolarHBondContact O-N 2.96Å
530	D	82.4	Confident	83.2	Confident	63 Å²	63	53.2 Å²	53.2	34%	0.337	26%	0.263	S	S	.	.	H	α-helix	trans	-68.6	-25.9	-174	-62.6	-38.1	0	0	0	113.3	L494 R498 N527	L494-D530 HydrophobicContact CD2-CB 4.16Å; R498-D530 PolarHBondContact NH2-O 3.03Å; R498-D530 VanDerWaalsContact NH2-O 3.14Å; N527-D530 WeakPolarHBondContact CB-OD2 3.45Å; N527-D530 PolarHBondContact ND2-OD2 3.13Å
531	I	86.7	Confident	83.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-112.9	-14.1	-173.2	-152	-177.2	0	0	0	114.1	L494 V497 V517 L521 L526 E529 A533 D534 V535 M555	L494-I531 HydrophobicContact CD1-CB 3.96Å; L494-I531 HydrophobicContact CD1-CD1 4.27Å; L494-I531 HydrophobicContact CD1-CG1 3.73Å; V497-I531 HydrophobicContact CG1-CD1 3.59Å; V517-I531 HydrophobicContact CG1-CD1 3.82Å; V517-I531 HydrophobicContact CG2-CD1 4.31Å; L521-I531 HydrophobicContact CD2-CG2 4.11Å; L526-I531 HydrophobicContact CD1-CD1 3.91Å; E529-I531 VanDerWaalsContact C-N 3.28Å; E529-I531 PolarHBondContact O-N 2.96Å; I531-A533 PolarHBondContact O-N 3.47Å; I531-A533 VanDerWaalsContact O-N 3.16Å; I531-D534 PolarHBondContact O-N 2.98Å; I531-D534 VanDerWaalsContact O-N 3.08Å; I531-V535 HydrophobicContact CD1-CG2 3.55Å; I531-V535 HydrophobicContact CG1-CG2 3.58Å; I531-V535 HydrophobicContact CG2-CG2 4.41Å; I531-V535 PolarHBondContact O-N 2.91Å; I531-M555 HydrophobicContact CG2-CE 3.87Å
532	A	84.1	Confident	82.9	Confident	13 Å²	13	62.3 Å²	62.3	11%	0.107	30%	0.301	C	S	.	.	H	α-helix	trans	-56.9	-33.4	-177.9	0	0	0	0	0	113.8	V528 D534 K536 M555	V528-A532 WeakPolarHBondContact O-CB 3.17Å; V528-A532 PolarHBondContact O-N 3.45Å; A532-D534 VanDerWaalsContact C-N 3.33Å; A532-D534 PolarHBondContact O-N 2.8Å; A532-K536 HydrophobicContact CB-CD 4.26Å; A532-K536 VanDerWaalsContact O-CB 3.25Å; A532-K536 WeakPolarHBondContact O-CB 3.43Å; A532-K536 VanDerWaalsContact O-CG 3.27Å; A532-K536 WeakPolarHBondContact O-CG 3.46Å; A532-K536 PolarHBondContact O-N 3.22Å; A532-K536 VanDerWaalsContact O-N 3.08Å; A532-M555 HydrophobicContact CB-CE 4.11Å
533	A	83.6	Confident	82.3	Confident	79 Å²	79	56.3 Å²	56.3	65%	0.653	29%	0.287	S	S	*	.	H	α-helix	trans	-66.7	-32.6	179.1	0	0	0	0	0	113.2	I531 P537	I531-A533 PolarHBondContact O-N 3.47Å; I531-A533 VanDerWaalsContact O-N 3.16Å; A533-P537 WeakPolarHBondContact O-CD 3.21Å; A533-P537 VanDerWaalsContact O-CG 3.26Å; A533-P537 WeakPolarHBondContact O-CG 3.41Å
534	D	84.7	Confident	81.4	Confident	35 Å²	35	57.6 Å²	57.6	19%	0.187	30%	0.296	C	S	.	.	H	α-helix	trans	-91	-40.7	179.8	-59.9	-83.4	0	0	0	111.5	R498 I531 A532 F538	R498-D534 HydrophobicContact CG-CB 4.45Å; R498-D534 IonicContact CZ-OD2 3.18Å; R498-D534 VanDerWaalsContact CZ-OD2 3.27Å; R498-D534 IonicContact NE-OD1 3.67Å; R498-D534 IonicContact NE-OD2 2.67Å; R498-D534 PolarHBondContact NE-OD2 2.7Å; R498-D534 IonicContact NH2-OD2 2.83Å; R498-D534 PolarHBondContact NH2-OD2 3.1Å; I531-D534 PolarHBondContact O-N 2.98Å; I531-D534 VanDerWaalsContact O-N 3.08Å; A532-D534 VanDerWaalsContact C-N 3.33Å; A532-D534 PolarHBondContact O-N 2.8Å; D534-F538 WeakPolarHBondContact O-CB 3.35Å; D534-F538 PolarHBondContact O-N 3.32Å
535	V	83.9	Confident	80.9	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-81.4	-34.2	-173.2	171.2	0	0	0	0	113.1	I501 V517 I531 F538 T539 L551 M555	I501-V535 HydrophobicContact CD1-CG2 3.63Å; V517-V535 HydrophobicContact CG1-CG1 4.35Å; V517-V535 HydrophobicContact CG1-CG2 3.87Å; V517-V535 HydrophobicContact CG2-CG2 4.43Å; I531-V535 HydrophobicContact CD1-CG2 3.55Å; I531-V535 HydrophobicContact CG1-CG2 3.58Å; I531-V535 HydrophobicContact CG2-CG2 4.41Å; I531-V535 PolarHBondContact O-N 2.91Å; V535-F538 WeakPolarHBondContact O-CB 3.48Å; V535-F538 PolarHBondContact O-N 3.26Å; V535-T539 HydrophobicContact CG1-CG2 3.9Å; V535-T539 WeakPolarHBondContact O-CG2 3.38Å; V535-T539 PolarHBondContact O-N 3.26Å; V535-T539 PolarHBondContact O-OG1 3.44Å; V535-T539 VanDerWaalsContact O-OG1 3.1Å; V535-L551 HydrophobicContact CG1-CD1 4.5Å; V535-L551 HydrophobicContact CG1-CD2 3.64Å; V535-L551 HydrophobicContact CG1-CG 3.97Å; V535-M555 HydrophobicContact CB-CE 4.05Å; V535-M555 HydrophobicContact CB-SD 4.14Å; V535-M555 HydrophobicContact CG1-CE 4.01Å; V535-M555 HydrophobicContact CG1-SD 3.42Å; V535-M555 WeakPolarHBondContact CG1-SD 3.31Å
536	K	82.1	Confident	80.5	Confident	57 Å²	57	53.2 Å²	53.2	25%	0.248	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-46	177.7	-68.4	-179.6	179	-177.5	0	112	A532 F538 T539 L540 Y552	A532-K536 HydrophobicContact CB-CD 4.26Å; A532-K536 VanDerWaalsContact O-CB 3.25Å; A532-K536 WeakPolarHBondContact O-CB 3.43Å; A532-K536 VanDerWaalsContact O-CG 3.27Å; A532-K536 WeakPolarHBondContact O-CG 3.46Å; A532-K536 PolarHBondContact O-N 3.22Å; A532-K536 VanDerWaalsContact O-N 3.08Å; K536-F538 VanDerWaalsContact C-N 3.34Å; K536-F538 PolarHBondContact O-N 2.88Å; K536-T539 PolarHBondContact O-OG1 3.39Å; K536-L540 VanDerWaalsContact O-CB 3.31Å; K536-L540 WeakPolarHBondContact O-CB 3.23Å; K536-L540 WeakPolarHBondContact O-CG 3.49Å; K536-L540 PolarHBondContact O-N 3.39Å; K536-Y552 HydrophobicContact CB-CE2 4.24Å; K536-Y552 HydrophobicContact CD-CE2 4.33Å; K536-Y552 HydrophobicContact CG-CD2 4.21Å; K536-Y552 HydrophobicContact CG-CE2 3.94Å
537	P	80.1	Confident	80.1	Confident	81 Å²	81	52.9 Å²	52.9	53%	0.526	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-38.7	171.6	-24.8	36	0	0	0	113.2	A533 L540 K541	A533-P537 WeakPolarHBondContact O-CD 3.21Å; A533-P537 VanDerWaalsContact O-CG 3.26Å; A533-P537 WeakPolarHBondContact O-CG 3.41Å; P537-L540 PolarHBondContact O-N 2.81Å; P537-K541 WeakPolarHBondContact O-CB 3.25Å; P537-K541 PolarHBondContact O-N 3.11Å
538	F	82.5	Confident	79.4	Confident	8 Å²	8	49.7 Å²	49.7	4%	0.035	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-50.2	176.9	169.7	-103.7	0	0	0	112.3	I501 V510 V513 A514 D534 V535 K536 L540 K541 Y542	I501-F538 HydrophobicContact CG1-CD2 4.46Å; I501-F538 HydrophobicContact CG1-CG 4.4Å; I501-F538 HydrophobicContact CG2-CB 3.91Å; I501-F538 HydrophobicContact CG2-CD2 3.85Å; I501-F538 HydrophobicContact CG2-CG 3.99Å; V510-F538 HydrophobicContact CB-CZ 4.45Å; V510-F538 HydrophobicContact CG1-CE2 4.11Å; V510-F538 HydrophobicContact CG1-CZ 3.76Å; V513-F538 HydrophobicContact CB-CZ 4.21Å; V513-F538 HydrophobicContact CG1-CE1 4.22Å; V513-F538 HydrophobicContact CG1-CZ 3.93Å; A514-F538 HydrophobicContact CB-CE1 4.31Å; D534-F538 WeakPolarHBondContact O-CB 3.35Å; D534-F538 PolarHBondContact O-N 3.32Å; V535-F538 WeakPolarHBondContact O-CB 3.48Å; V535-F538 PolarHBondContact O-N 3.26Å; K536-F538 VanDerWaalsContact C-N 3.34Å; K536-F538 PolarHBondContact O-N 2.88Å; F538-L540 VanDerWaalsContact C-N 3.28Å; F538-L540 PolarHBondContact O-N 2.97Å; F538-K541 WeakPolarHBondContact O-CB 3.1Å; F538-K541 PolarHBondContact O-N 2.99Å; F538-K541 VanDerWaalsContact O-N 3.11Å; F538-Y542 AromaticContact CD2-CD2 3.77Å; F538-Y542 HydrophobicContact CD2-CD2 3.77Å; F538-Y542 AromaticContact CD2-CE2 3.74Å; F538-Y542 HydrophobicContact CD2-CE2 3.74Å; F538-Y542 AromaticContact CE2-CD2 3.63Å; F538-Y542 HydrophobicContact CE2-CD2 3.63Å; F538-Y542 AromaticContact CE2-CE2 3.6Å; F538-Y542 HydrophobicContact CE2-CE2 3.6Å; F538-Y542 HydrophobicContact CZ-CD2 4.29Å; F538-Y542 WeakPolarHBondContact O-CD2 3.35Å; F538-Y542 PolarHBondContact O-N 2.87Å; F538-Y542 VanDerWaalsContact O-N 3.15Å
539	T	80.1	Confident	78.9	Confident	4 Å²	4	51.9 Å²	51.9	3%	0.025	28%	0.275	C	S	.	.	H	α-helix	trans	-68.4	-27.9	178.7	56.5	0	0	0	0	112.8	V535 K536 Y542 T543 C548 L551 Y552	V535-T539 HydrophobicContact CG1-CG2 3.9Å; V535-T539 WeakPolarHBondContact O-CG2 3.38Å; V535-T539 PolarHBondContact O-N 3.26Å; V535-T539 PolarHBondContact O-OG1 3.44Å; V535-T539 VanDerWaalsContact O-OG1 3.1Å; K536-T539 PolarHBondContact O-OG1 3.39Å; T539-Y542 CarbonylContact O-C 3.58Å; T539-T543 PolarHBondContact O-N 3.28Å; T539-C548 WeakPolarHBondContact CB-O 3.2Å; T539-C548 HydrophobicContact CG2-CB 3.96Å; T539-C548 WeakPolarHBondContact CG2-O 3.37Å; T539-L551 HydrophobicContact CG2-CB 4.39Å; T539-L551 HydrophobicContact CG2-CD2 3.91Å; T539-L551 HydrophobicContact CG2-CG 4.14Å; T539-Y552 WeakPolarHBondContact OG1-CD2 3.19Å
540	L	76.4	Confident	78.4	Confident	100 Å²	100	46.5 Å²	46.5	52%	0.524	25%	0.252	S	S	.	.	H	α-helix	trans	-78.1	-22.6	172.3	-70.4	172.3	0	0	0	113.2	K536 P537 F538 T543	K536-L540 VanDerWaalsContact O-CB 3.31Å; K536-L540 WeakPolarHBondContact O-CB 3.23Å; K536-L540 WeakPolarHBondContact O-CG 3.49Å; K536-L540 PolarHBondContact O-N 3.39Å; P537-L540 PolarHBondContact O-N 2.81Å; F538-L540 VanDerWaalsContact C-N 3.28Å; F538-L540 PolarHBondContact O-N 2.97Å; L540-T543 HydrophobicContact CD2-CG2 4.4Å; L540-T543 WeakPolarHBondContact O-CG2 3.42Å
541	K	79.4	Confident	78.2	Confident	145 Å²	145	43.5 Å²	43.5	63%	0.63	24%	0.236	S	C	*	.	H	α-helix	trans	-74.7	-31.4	171.6	-175.5	-174.1	175.8	-158.6	0	111.6	P537 F538	P537-K541 WeakPolarHBondContact O-CB 3.25Å; P537-K541 PolarHBondContact O-N 3.11Å; F538-K541 WeakPolarHBondContact O-CB 3.1Å; F538-K541 PolarHBondContact O-N 2.99Å; F538-K541 VanDerWaalsContact O-N 3.11Å
542	Y	79.2	Confident	77.8	Confident	52 Å²	52	46.9 Å²	46.9	20%	0.204	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	48.6	-178.1	-58.5	-72.4	0	0	0	112.1	V510 F538 T539 D544 N545 C548	V510-Y542 HydrophobicContact CG1-CD1 4.09Å; V510-Y542 HydrophobicContact CG1-CD2 3.66Å; V510-Y542 HydrophobicContact CG1-CE2 4.2Å; V510-Y542 HydrophobicContact CG1-CG 3.61Å; V510-Y542 HydrophobicContact CG2-CD1 4.15Å; V510-Y542 HydrophobicContact CG2-CD2 4.15Å; V510-Y542 HydrophobicContact CG2-CE1 3.83Å; V510-Y542 HydrophobicContact CG2-CE2 3.84Å; V510-Y542 HydrophobicContact CG2-CG 4.31Å; F538-Y542 AromaticContact CD2-CD2 3.77Å; F538-Y542 HydrophobicContact CD2-CD2 3.77Å; F538-Y542 AromaticContact CD2-CE2 3.74Å; F538-Y542 HydrophobicContact CD2-CE2 3.74Å; F538-Y542 AromaticContact CE2-CD2 3.63Å; F538-Y542 HydrophobicContact CE2-CD2 3.63Å; F538-Y542 AromaticContact CE2-CE2 3.6Å; F538-Y542 HydrophobicContact CE2-CE2 3.6Å; F538-Y542 HydrophobicContact CZ-CD2 4.29Å; F538-Y542 WeakPolarHBondContact O-CD2 3.35Å; F538-Y542 PolarHBondContact O-N 2.87Å; F538-Y542 VanDerWaalsContact O-N 3.15Å; T539-Y542 CarbonylContact O-C 3.58Å; Y542-D544 VanDerWaalsContact C-N 3.27Å; Y542-D544 PolarHBondContact O-N 3.39Å; Y542-N545 WeakPolarHBondContact O-CA 3.41Å; Y542-N545 VanDerWaalsContact O-CB 3.29Å; Y542-N545 WeakPolarHBondContact O-CB 3.42Å; Y542-N545 PolarHBondContact O-N 2.75Å; Y542-C548 WeakPolarHBondContact O-CB 3.48Å
543	T	72.3	Confident	77.5	Confident	78 Å²	78	51 Å²	51	48%	0.479	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-27	-177.5	46.6	0	0	0	0	114.8	T539 L540 N545 T549	T539-T543 PolarHBondContact O-N 3.28Å; L540-T543 HydrophobicContact CD2-CG2 4.4Å; L540-T543 WeakPolarHBondContact O-CG2 3.42Å; T543-N545 PolarHBondContact O-N 3Å; T543-T549 PolarHBondContact O-OG1 3.05Å
544	D	62.3	Low	77.3	Confident	94 Å²	94	48.9 Å²	48.9	50%	0.503	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.5	172.7	-65.1	-41.5	0	0	0	110.9	Q23 Y542	Q23-D544 VanDerWaalsContact CA-O 3.25Å; Q23-D544 WeakPolarHBondContact CA-O 3.22Å; Y542-D544 VanDerWaalsContact C-N 3.27Å; Y542-D544 PolarHBondContact O-N 3.39Å
545	N	72.4	Confident	77.2	Confident	9 Å²	9	47.2 Å²	47.2	5%	0.048	24%	0.238	C	C	.	.	S	Bend	trans	-84.9	126.8	179.9	-138.9	-4.4	0	0	0	111.1	K25 E26 Y542 T543 C548 T549	K25-N545 WeakPolarHBondContact CA-OD1 3.3Å; K25-N545 WeakPolarHBondContact CB-OD1 3.47Å; K25-N545 PolarHBondContact O-OD1 3.41Å; K25-N545 VanDerWaalsContact O-OD1 3.13Å; E26-N545 VanDerWaalsContact CB-OD1 3.24Å; E26-N545 WeakPolarHBondContact CB-OD1 3.43Å; E26-N545 VanDerWaalsContact CD-CB 3.48Å; E26-N545 HydrophobicContact CG-CB 4.35Å; E26-N545 WeakPolarHBondContact CG-OD1 3.49Å; E26-N545 PolarHBondContact N-OD1 2.86Å; E26-N545 PolarHBondContact OE1-ND2 3.2Å; E26-N545 VanDerWaalsContact OE1-ND2 3.11Å; E26-N545 WeakPolarHBondContact OE2-CA 3.46Å; E26-N545 WeakPolarHBondContact OE2-CB 3.22Å; E26-N545 PolarHBondContact OE2-OD1 2.7Å; Y542-N545 WeakPolarHBondContact O-CA 3.41Å; Y542-N545 VanDerWaalsContact O-CB 3.29Å; Y542-N545 WeakPolarHBondContact O-CB 3.42Å; Y542-N545 PolarHBondContact O-N 2.75Å; T543-N545 PolarHBondContact O-N 3Å; N545-C548 HydrophobicContact CB-CB 4.27Å; N545-C548 WeakPolarHBondContact O-CB 3.27Å; N545-C548 PolarHBondContact O-N 3.01Å; N545-T549 PolarHBondContact O-N 3.03Å; N545-T549 PolarHBondContact O-OG1 2.92Å; N545-T549 VanDerWaalsContact O-OG1 3.11Å
546	R	76.4	Confident	77	Confident	91 Å²	91	49.4 Å²	49.4	34%	0.343	25%	0.249	S	C	.	.	H	α-helix	trans	-85.9	-10.1	-160.9	164.6	-164.1	171.2	-123.5	-7	114.6	Q23 E26 K27 E28 A550	Q23-R546 VanDerWaalsContact O-CB 3.28Å; Q23-R546 WeakPolarHBondContact O-CB 3.31Å; Q23-R546 WeakPolarHBondContact O-CD 3.39Å; E26-R546 CarbonylContact O-C 3.54Å; E26-R546 WeakPolarHBondContact O-CA 3.4Å; E26-R546 WeakPolarHBondContact O-CB 3.29Å; E26-R546 WeakPolarHBondContact O-CD 3.43Å; E26-R546 WeakPolarHBondContact O-CG 3.48Å; E26-R546 PolarHBondContact OE2-N 2.77Å; E26-R546 VanDerWaalsContact OE2-N 3.09Å; K27-R546 HydrophobicContact CB-CG 3.94Å; K27-R546 VanDerWaalsContact CB-CZ 3.47Å; K27-R546 HydrophobicContact CD-CG 3.87Å; K27-R546 VanDerWaalsContact CE-O 3.24Å; K27-R546 WeakPolarHBondContact CE-O 3.4Å; K27-R546 HydrophobicContact CG-CG 4.03Å; K27-R546 WeakPolarHBondContact CG-O 3.29Å; K27-R546 PolarHBondContact O-NH1 3.04Å; E28-R546 VanDerWaalsContact N-NH1 3.16Å; R546-A550 WeakPolarHBondContact O-CB 3.46Å; R546-A550 PolarHBondContact O-N 2.87Å
547	E	79.1	Confident	76.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-92	-33.6	167.1	-73.5	-43.5	158.2	0	0	108.5	E26 K27 D30 A514 M515 K518 T549 A550 L551	E26-E547 HydrophobicContact CB-CB 3.44Å; E26-E547 VanDerWaalsContact CB-CB 3.44Å; E26-E547 HydrophobicContact CB-CG 3.53Å; E26-E547 VanDerWaalsContact CD-CB 3.49Å; E26-E547 HydrophobicContact CG-CB 3.58Å; E26-E547 HydrophobicContact CG-CG 3.77Å; E26-E547 VanDerWaalsContact OE2-CA 3.31Å; E26-E547 WeakPolarHBondContact OE2-CA 3.06Å; E26-E547 PolarHBondContact OE2-N 2.84Å; K27-E547 WeakPolarHBondContact CA-OE1 3.34Å; K27-E547 PolarHBondContact N-OE1 2.93Å; D30-E547 WeakPolarHBondContact CB-OE1 3.33Å; D30-E547 PolarHBondContact N-OE1 3.23Å; A514-E547 HydrophobicContact CB-CB 3.93Å; M515-E547 HydrophobicContact CG-CG 3.93Å; K518-E547 IonicContact NZ-OE1 3.88Å; K518-E547 IonicContact NZ-OE2 2.67Å; K518-E547 PolarHBondContact NZ-OE2 3.28Å; E547-T549 PolarHBondContact O-N 2.96Å; E547-A550 VanDerWaalsContact C-N 3.35Å; E547-A550 CarbonylContact O-C 3.47Å; E547-A550 WeakPolarHBondContact O-CA 3.49Å; E547-A550 WeakPolarHBondContact O-CB 3.48Å; E547-A550 PolarHBondContact O-N 3.27Å; E547-A550 WeakPolarHBondContact OE2-CB 2.82Å; E547-L551 WeakPolarHBondContact O-CA 3.41Å; E547-L551 WeakPolarHBondContact O-CB 3.37Å; E547-L551 PolarHBondContact O-N 3.47Å
548	C	70.7	Confident	76.7	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-44.3	169.8	-79.3	0	0	0	0	107.9	E26 T539 Y542 N545 Y552	E26-C548 PolarHBondContact OE1-SG 2.62Å; E26-C548 PolarHBondContact OE2-N 2.81Å; T539-C548 WeakPolarHBondContact CB-O 3.2Å; T539-C548 HydrophobicContact CG2-CB 3.96Å; T539-C548 WeakPolarHBondContact CG2-O 3.37Å; Y542-C548 WeakPolarHBondContact O-CB 3.48Å; N545-C548 HydrophobicContact CB-CB 4.27Å; N545-C548 WeakPolarHBondContact O-CB 3.27Å; N545-C548 PolarHBondContact O-N 3.01Å; C548-Y552 VanDerWaalsContact O-CB 3.22Å; C548-Y552 WeakPolarHBondContact O-CB 3.25Å; C548-Y552 PolarHBondContact O-N 2.82Å
549	T	72.7	Confident	76.3	Confident	57 Å²	57	54 Å²	54	35%	0.35	27%	0.268	S	S	.	.	H	α-helix	trans	-60.3	-44.8	165.8	-59	0	0	0	0	112.5	T543 N545 E547 Q553	T543-T549 PolarHBondContact O-OG1 3.05Å; N545-T549 PolarHBondContact O-N 3.03Å; N545-T549 PolarHBondContact O-OG1 2.92Å; N545-T549 VanDerWaalsContact O-OG1 3.11Å; E547-T549 PolarHBondContact O-N 2.96Å; T549-Q553 WeakPolarHBondContact O-CB 3.38Å; T549-Q553 WeakPolarHBondContact O-CG 3.38Å; T549-Q553 PolarHBondContact O-N 3.25Å; T549-Q553 VanDerWaalsContact O-N 3.08Å
550	A	75.9	Confident	75.6	Confident	11 Å²	11	60.1 Å²	60.1	9%	0.091	30%	0.301	C	S	.	.	H	α-helix	trans	-65.1	-39	178.9	0	0	0	0	0	114	K27 R546 E547 S554	K27-A550 HydrophobicContact CD-CB 4.18Å; K27-A550 HydrophobicContact CG-CB 3.95Å; R546-A550 WeakPolarHBondContact O-CB 3.46Å; R546-A550 PolarHBondContact O-N 2.87Å; E547-A550 VanDerWaalsContact C-N 3.35Å; E547-A550 CarbonylContact O-C 3.47Å; E547-A550 WeakPolarHBondContact O-CA 3.49Å; E547-A550 WeakPolarHBondContact O-CB 3.48Å; E547-A550 PolarHBondContact O-N 3.27Å; E547-A550 WeakPolarHBondContact OE2-CB 2.82Å; A550-S554 WeakPolarHBondContact O-CB 3.21Å; A550-S554 PolarHBondContact O-N 3.49Å
551	L	77.1	Confident	74.4	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-70.4	-47.9	-178.8	169.7	57.5	0	0	0	108.7	A514 V517 K518 L521 V535 T539 E547 Q553 S554 M555	A514-L551 HydrophobicContact CB-CD2 4.27Å; V517-L551 HydrophobicContact CB-CD1 4.45Å; V517-L551 HydrophobicContact CB-CD2 3.97Å; V517-L551 HydrophobicContact CG1-CD1 3.85Å; V517-L551 HydrophobicContact CG1-CD2 3.89Å; V517-L551 HydrophobicContact CG1-CG 4.49Å; K518-L551 HydrophobicContact CB-CD1 4.04Å; L521-L551 HydrophobicContact CD1-CD1 3.85Å; V535-L551 HydrophobicContact CG1-CD1 4.5Å; V535-L551 HydrophobicContact CG1-CD2 3.64Å; V535-L551 HydrophobicContact CG1-CG 3.97Å; T539-L551 HydrophobicContact CG2-CB 4.39Å; T539-L551 HydrophobicContact CG2-CD2 3.91Å; T539-L551 HydrophobicContact CG2-CG 4.14Å; E547-L551 WeakPolarHBondContact O-CA 3.41Å; E547-L551 WeakPolarHBondContact O-CB 3.37Å; E547-L551 PolarHBondContact O-N 3.47Å; L551-Q553 VanDerWaalsContact C-N 3.33Å; L551-Q553 PolarHBondContact O-N 3.33Å; L551-S554 PolarHBondContact O-N 3.42Å; L551-S554 VanDerWaalsContact O-N 3.17Å; L551-M555 HydrophobicContact CD1-CG 3.98Å; L551-M555 HydrophobicContact CD1-SD 3.86Å; L551-M555 HydrophobicContact CG-SD 4.06Å; L551-M555 WeakPolarHBondContact O-CB 3.44Å; L551-M555 VanDerWaalsContact O-CG 3.22Å; L551-M555 WeakPolarHBondContact O-CG 3.44Å; L551-M555 PolarHBondContact O-N 3.14Å
552	Y	78.3	Confident	72.5	Confident	71 Å²	71	55 Å²	55	28%	0.278	31%	0.314	S	S	.	.	H	α-helix	trans	-57.2	-46.1	173.5	-171.8	-102.7	0	0	0	111.7	K536 T539 C548 M555 I556	K536-Y552 HydrophobicContact CB-CE2 4.24Å; K536-Y552 HydrophobicContact CD-CE2 4.33Å; K536-Y552 HydrophobicContact CG-CD2 4.21Å; K536-Y552 HydrophobicContact CG-CE2 3.94Å; T539-Y552 WeakPolarHBondContact OG1-CD2 3.19Å; C548-Y552 VanDerWaalsContact O-CB 3.22Å; C548-Y552 WeakPolarHBondContact O-CB 3.25Å; C548-Y552 PolarHBondContact O-N 2.82Å; Y552-M555 PolarHBondContact O-N 3.38Å; Y552-I556 HydrophobicContact CD1-CD1 3.75Å; Y552-I556 HydrophobicContact CE1-CD1 3.37Å; Y552-I556 HydrophobicContact CE1-CG1 4.5Å; Y552-I556 WeakPolarHBondContact O-CG1 3.33Å; Y552-I556 PolarHBondContact O-N 2.91Å
553	Q	78.6	Confident	70.3	Confident	98 Å²	98	55.9 Å²	55.9	46%	0.458	34%	0.338	S	S	.	.	H	α-helix	trans	-65.5	-40.9	174.8	-67.1	-65.8	-20.6	0	0	112.5	T549 L551 I556 N557	T549-Q553 WeakPolarHBondContact O-CB 3.38Å; T549-Q553 WeakPolarHBondContact O-CG 3.38Å; T549-Q553 PolarHBondContact O-N 3.25Å; T549-Q553 VanDerWaalsContact O-N 3.08Å; L551-Q553 VanDerWaalsContact C-N 3.33Å; L551-Q553 PolarHBondContact O-N 3.33Å; Q553-I556 PolarHBondContact O-N 2.73Å; Q553-N557 WeakPolarHBondContact O-CB 3.3Å; Q553-N557 VanDerWaalsContact O-CG 3.23Å; Q553-N557 PolarHBondContact O-N 2.98Å; Q553-N557 PolarHBondContact O-ND2 3.32Å
554	S	79.6	Confident	68.1	Low	36 Å²	36	56.2 Å²	56.2	25%	0.252	36%	0.357	S	S	.	.	H	α-helix	trans	-63.4	-41.5	177.2	-175.6	0	0	0	0	111.5	A550 L551 N557 M558	A550-S554 WeakPolarHBondContact O-CB 3.21Å; A550-S554 PolarHBondContact O-N 3.49Å; L551-S554 PolarHBondContact O-N 3.42Å; L551-S554 VanDerWaalsContact O-N 3.17Å; S554-N557 PolarHBondContact O-N 3.05Å; S554-M558 WeakPolarHBondContact O-CB 3.43Å; S554-M558 WeakPolarHBondContact O-CE 3.25Å; S554-M558 WeakPolarHBondContact O-CG 3.36Å; S554-M558 PolarHBondContact O-N 2.92Å; S554-M558 WeakPolarHBondContact OG-CE 3.3Å
555	M	83	Confident	66.6	Low	0 Å²	0	55.6 Å²	55.6	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-65.5	-41.1	174.8	-70.1	173.7	83.2	0	0	112.1	L521 V528 I531 A532 V535 L551 Y552 M558 Q559	L521-M555 HydrophobicContact CD1-CG 3.74Å; L521-M555 HydrophobicContact CD1-SD 4.28Å; V528-M555 HydrophobicContact CG1-CB 3.79Å; V528-M555 HydrophobicContact CG1-CE 3.73Å; V528-M555 HydrophobicContact CG1-CG 3.93Å; I531-M555 HydrophobicContact CG2-CE 3.87Å; A532-M555 HydrophobicContact CB-CE 4.11Å; V535-M555 HydrophobicContact CB-CE 4.05Å; V535-M555 HydrophobicContact CB-SD 4.14Å; V535-M555 HydrophobicContact CG1-CE 4.01Å; V535-M555 HydrophobicContact CG1-SD 3.42Å; V535-M555 WeakPolarHBondContact CG1-SD 3.31Å; L551-M555 HydrophobicContact CD1-CG 3.98Å; L551-M555 HydrophobicContact CD1-SD 3.86Å; L551-M555 HydrophobicContact CG-SD 4.06Å; L551-M555 WeakPolarHBondContact O-CB 3.44Å; L551-M555 VanDerWaalsContact O-CG 3.22Å; L551-M555 WeakPolarHBondContact O-CG 3.44Å; L551-M555 PolarHBondContact O-N 3.14Å; Y552-M555 PolarHBondContact O-N 3.38Å; M555-M558 HydrophobicContact CG-CE 4.49Å; M555-M558 PolarHBondContact O-N 2.94Å; M555-Q559 WeakPolarHBondContact O-CB 3.26Å; M555-Q559 WeakPolarHBondContact O-CG 3.36Å; M555-Q559 PolarHBondContact O-N 3.25Å
556	I	79.2	Confident	64.4	Low	45 Å²	45	58.8 Å²	58.8	23%	0.231	41%	0.408	C	S	.	.	H	α-helix	trans	-61.9	-44.5	173.5	-71.9	170.6	0	0	0	110.7	Y552 Q553 M558 Q559 N560	Y552-I556 HydrophobicContact CD1-CD1 3.75Å; Y552-I556 HydrophobicContact CE1-CD1 3.37Å; Y552-I556 HydrophobicContact CE1-CG1 4.5Å; Y552-I556 WeakPolarHBondContact O-CG1 3.33Å; Y552-I556 PolarHBondContact O-N 2.91Å; Q553-I556 PolarHBondContact O-N 2.73Å; I556-M558 VanDerWaalsContact C-N 3.33Å; I556-M558 PolarHBondContact O-N 3.18Å; I556-Q559 PolarHBondContact O-N 2.97Å; I556-N560 WeakPolarHBondContact CG2-ND2 3.45Å; I556-N560 WeakPolarHBondContact O-CB 3.43Å; I556-N560 VanDerWaalsContact O-CG 3.24Å; I556-N560 PolarHBondContact O-N 3.3Å; I556-N560 PolarHBondContact O-ND2 2.89Å
557	N	76.9	Confident	62.6	Low	104 Å²	104	63.8 Å²	63.8	56%	0.556	44%	0.435	S	S	*	.	H	α-helix	trans	-63.9	-37.8	177.8	-70	-14.7	0	0	0	112.2	Q553 S554 G561	Q553-N557 WeakPolarHBondContact O-CB 3.3Å; Q553-N557 VanDerWaalsContact O-CG 3.23Å; Q553-N557 PolarHBondContact O-N 2.98Å; Q553-N557 PolarHBondContact O-ND2 3.32Å; S554-N557 PolarHBondContact O-N 3.05Å; N557-G561 WeakPolarHBondContact O-CA 3.46Å; N557-G561 PolarHBondContact O-N 3.19Å
558	M	78.4	Confident	60.1	Low	68 Å²	68	72.7 Å²	72.7	34%	0.335	48%	0.477	S	S	.	.	H	α-helix	trans	-72	-36.2	175.5	-72.3	-176.6	-69.3	0	0	112.6	L521 V528 S554 M555 I556 G561	L521-M558 HydrophobicContact CB-CE 3.91Å; L521-M558 HydrophobicContact CD1-CE 3.98Å; L521-M558 HydrophobicContact CG-CE 4.49Å; V528-M558 HydrophobicContact CG2-CB 3.79Å; V528-M558 HydrophobicContact CG2-CE 3.93Å; V528-M558 HydrophobicContact CG2-SD 4.22Å; S554-M558 WeakPolarHBondContact O-CB 3.43Å; S554-M558 WeakPolarHBondContact O-CE 3.25Å; S554-M558 WeakPolarHBondContact O-CG 3.36Å; S554-M558 PolarHBondContact O-N 2.92Å; S554-M558 WeakPolarHBondContact OG-CE 3.3Å; M555-M558 HydrophobicContact CG-CE 4.49Å; M555-M558 PolarHBondContact O-N 2.94Å; I556-M558 VanDerWaalsContact C-N 3.33Å; I556-M558 PolarHBondContact O-N 3.18Å; M558-G561 PolarHBondContact O-N 3.4Å
559	Q	73.9	Confident	58.2	Low	71 Å²	71	80.9 Å²	80.9	33%	0.332	52%	0.521	S	S	.	.	H	α-helix	trans	-70	-32.9	174.2	-73.8	-173	-40.5	0	0	113	V528 M555 I556	V528-Q559 HydrophobicContact CB-CG 4.24Å; V528-Q559 HydrophobicContact CG1-CG 3.67Å; M555-Q559 WeakPolarHBondContact O-CB 3.26Å; M555-Q559 WeakPolarHBondContact O-CG 3.36Å; M555-Q559 PolarHBondContact O-N 3.25Å; I556-Q559 PolarHBondContact O-N 2.97Å
560	N	66.2	Low	56	Low	133 Å²	133	85.6 Å²	85.6	71%	0.711	54%	0.541	S	S	*	.	H	α-helix	trans	-84.4	-19.7	176.1	-66.5	-17.9	0	0	0	113	I556 G562	I556-N560 WeakPolarHBondContact CG2-ND2 3.45Å; I556-N560 WeakPolarHBondContact O-CB 3.43Å; I556-N560 VanDerWaalsContact O-CG 3.24Å; I556-N560 PolarHBondContact O-N 3.3Å; I556-N560 PolarHBondContact O-ND2 2.89Å; N560-G562 PolarHBondContact O-N 2.88Å
561	G	51.3	Low	53.7	Low	54 Å²	54	91.5 Å²	91.5	56%	0.557	58%	0.576	S	S	*	*			trans	-95.3	27.7	-171.7	0	0	0	0	0	115.3	N557 M558 G563	N557-G561 WeakPolarHBondContact O-CA 3.46Å; N557-G561 PolarHBondContact O-N 3.19Å; M558-G561 PolarHBondContact O-N 3.4Å; G561-G563 PolarHBondContact O-N 3.29Å
562	G	39.1	Very low	51.2	Low	84 Å²	84	95.2 Å²	95.2	87%	0.866	60%	0.599	S	S	*	*			trans	-69.3	68.2	179.8	0	0	0	0	0	114.1	N560	N560-G562 PolarHBondContact O-N 2.88Å
563	G	32.9	Very low	48.8	Very low	69 Å²	69	96.4 Å²	96.4	71%	0.711	62%	0.617	S	S	*	*	S	Bend	trans	174.3	102.1	175.7	0	0	0	0	0	115.3	G561	G561-G563 PolarHBondContact O-N 3.29Å
564	G	26.1	Very low	46.4	Very low	85 Å²	85	95.5 Å²	95.5	88%	0.876	62%	0.619	S	S	*	*			trans	90.6	118.2	161.9	0	0	0	0	0	115.5
565	G	31.3	Very low	44	Very low	81 Å²	81	98.6 Å²	98.6	84%	0.835	64%	0.636	S	S	*	*			trans	-86.1	147.3	166.6	0	0	0	0	0	111.6
566	G	25.3	Very low	41.5	Very low	76 Å²	76	102.9 Å²	102.9	78%	0.784	66%	0.662	S	S	*	*			trans	166.4	131.7	175.5	0	0	0	0	0	109.9
567	Q	39.9	Very low	39.2	Very low	196 Å²	196	105 Å²	105	92%	0.916	68%	0.677	S	S	*	*			trans	-69.5	135.1	174.2	-67.4	163.7	-80.4	0	0	110
568	E	26.4	Very low	37	Very low	188 Å²	188	105.1 Å²	105.1	88%	0.879	68%	0.682	S	S	*	*			trans	-156.7	137.2	145.6	-117.6	169.2	-145.6	0	0	110.5	M570	E568-M570 PolarHBondContact O-N 3.32Å
569	N	29.7	Very low	34.6	Very low	171 Å²	171	106.4 Å²	106.4	91%	0.914	69%	0.694	S	S	*	*			trans	-74.4	90.6	-178.9	-88.2	-23.2	0	0	0	110.6
570	M	26	Very low	32.4	Very low	157 Å²	157	109.2 Å²	109.2	77%	0.773	72%	0.716	S	S	*	*			trans	-98.6	92.5	173.1	-162.5	168.9	75.4	0	0	111.5	E568 T572	E568-M570 PolarHBondContact O-N 3.32Å; M570-T572 VanDerWaalsContact C-N 3.3Å; M570-T572 PolarHBondContact O-N 3.14Å; M570-T572 PolarHBondContact O-OG1 3.31Å; M570-T572 VanDerWaalsContact O-OG1 3.13Å
571	T	27.7	Very low	30.7	Very low	134 Å²	134	108.6 Å²	108.6	82%	0.822	72%	0.717	S	S	*	*			trans	-66.2	84	176.7	-46.6	0	0	0	0	111.1	S573	T571-S573 PolarHBondContact O-N 2.8Å
572	T	25.6	Very low	29.5	Very low	79 Å²	79	116.3 Å²	116.3	49%	0.485	74%	0.736	S	S	.	*			trans	-91.1	100.4	-176.9	-50.3	0	0	0	0	110.2	M570 T574	M570-T572 VanDerWaalsContact C-N 3.3Å; M570-T572 PolarHBondContact O-N 3.14Å; M570-T572 PolarHBondContact O-OG1 3.31Å; M570-T572 VanDerWaalsContact O-OG1 3.13Å; T572-T574 PolarHBondContact O-N 3.29Å; T572-T574 VanDerWaalsContact O-N 3.16Å
573	S	27.2	Very low	29	Very low	95 Å²	95	116.4 Å²	116.4	66%	0.664	72%	0.723	S	S	*	*			trans	-78.8	92.6	173.1	-65.2	0	0	0	0	110.9	T571	T571-S573 PolarHBondContact O-N 2.8Å
574	T	29.1	Very low	28.9	Very low	80 Å²	80	118.9 Å²	118.9	49%	0.491	73%	0.729	S	S	.	*			trans	-90.6	103.4	176.2	-51.4	0	0	0	0	111	T572 T576	T572-T574 PolarHBondContact O-N 3.29Å; T572-T574 VanDerWaalsContact O-N 3.16Å; T574-T576 PolarHBondContact O-N 3.26Å
575	T	29	Very low	29.1	Very low	100 Å²	100	119.3 Å²	119.3	61%	0.613	72%	0.719	S	S	*	*			trans	-90.8	94.8	174.4	-49.6	0	0	0	0	110.5	T577	T575-T577 PolarHBondContact O-N 3.16Å
576	T	30.7	Very low	29.2	Very low	90 Å²	90	121.1 Å²	121.1	55%	0.552	72%	0.716	S	S	*	*			trans	-82.1	104.5	175.7	-48.7	0	0	0	0	110.6	T574	T574-T576 PolarHBondContact O-N 3.26Å
577	T	29.7	Very low	29.6	Very low	89 Å²	89	123.7 Å²	123.7	55%	0.546	71%	0.712	S	S	.	*			trans	-100.9	98.4	179.6	-47.7	0	0	0	0	111.1	T575 T579	T575-T577 PolarHBondContact O-N 3.16Å; T577-T579 PolarHBondContact O-N 3.34Å
578	T	30.8	Very low	29.2	Very low	107 Å²	107	118.5 Å²	118.5	66%	0.656	70%	0.697	S	S	*	*			trans	-83.6	95.4	179.6	-40.4	0	0	0	0	111.4
579	T	28.9	Very low	29.7	Very low	95 Å²	95	115.2 Å²	115.2	58%	0.583	69%	0.685	S	S	*	*			trans	-90.7	99.9	177.1	28.4	0	0	0	0	112.7	T577 T581	T577-T579 PolarHBondContact O-N 3.34Å; T579-T581 PolarHBondContact O-N 3.32Å
580	T	28.4	Very low	29.9	Very low	130 Å²	130	110 Å²	110	80%	0.798	66%	0.662	S	S	*	*			trans	-83.2	89.1	167.7	36.2	0	0	0	0	111.2	K582	T580-K582 PolarHBondContact O-N 3.1Å
581	T	29	Very low	30.4	Very low	121 Å²	121	105.6 Å²	105.6	74%	0.742	64%	0.644	S	S	*	*			trans	-79.9	113.2	170.9	43.3	0	0	0	0	110.8	T579 S583	T579-T581 PolarHBondContact O-N 3.32Å; T581-S583 VanDerWaalsContact C-N 3.28Å; T581-S583 PolarHBondContact O-N 2.65Å
582	K	26.6	Very low	30.8	Very low	216 Å²	216	101.4 Å²	101.4	94%	0.939	62%	0.618	S	S	*	*			trans	-71	85.7	163.5	-81.8	-175	175.5	177.9	0	109.5	T580	T580-K582 PolarHBondContact O-N 3.1Å
583	S	29.7	Very low	31.4	Very low	85 Å²	85	100.1 Å²	100.1	59%	0.594	61%	0.61	S	S	*	*			trans	-77.5	152.2	157.8	60.6	0	0	0	0	109.6	T581 S585	T581-S583 VanDerWaalsContact C-N 3.28Å; T581-S583 PolarHBondContact O-N 2.65Å; S583-S585 VanDerWaalsContact C-N 3.28Å; S583-S585 PolarHBondContact O-N 3.01Å
584	S	30.6	Very low	31.8	Very low	122 Å²	122	98.2 Å²	98.2	85%	0.853	60%	0.595	S	S	*	*	S	Bend	trans	-80.3	68.6	-176	54.2	0	0	0	0	112.2
585	S	30	Very low	32.2	Very low	94 Å²	94	97.3 Å²	97.3	66%	0.657	59%	0.589	S	S	*	*	S	Bend	trans	-165.7	134.3	161.6	-77.4	0	0	0	0	109.9	S583	S583-S585 VanDerWaalsContact C-N 3.28Å; S583-S585 PolarHBondContact O-N 3.01Å
586	P	33.2	Very low	32.5	Very low	119 Å²	119	95.5 Å²	95.5	77%	0.773	58%	0.578	S	S	*	*	S	Bend	trans	-76.9	149.1	174.7	32	-32.9	0	0	0	111.5
587	N	33.7	Very low	32.8	Very low	129 Å²	129	94.8 Å²	94.8	69%	0.69	58%	0.577	S	S	*	*	S	Bend	trans	91.7	49.7	170.1	-55.3	3	0	0	0	119.3
588	S	31.7	Very low	33.1	Very low	87 Å²	87	97.6 Å²	97.6	61%	0.608	58%	0.583	S	S	*	*			trans	-148.4	133.1	151	63.4	0	0	0	0	111.8
589	L	37	Very low	33.3	Very low	119 Å²	119	98.4 Å²	98.4	62%	0.623	58%	0.584	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110	126.7	171.3	-140.9	84.2	0	0	0	109.1	F613	L589-F613 PolarHBondContact N-O 3.43Å; L589-F613 PolarHBondContact O-N 3.36Å
590	S	34.1	Very low	33.5	Very low	63 Å²	63	100.2 Å²	100.2	44%	0.441	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.5	131.8	179.5	-61.8	0	0	0	0	110.7	V611 S612	S590-V611 WeakPolarHBondContact CA-O 3.49Å; S590-S612 PolarHBondContact OG-OG 3.14Å
591	T	36.9	Very low	34.1	Very low	64 Å²	64	98.2 Å²	98.2	39%	0.393	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.1	119	176.5	-55	0	0	0	0	108.8	V611	T591-V611 PolarHBondContact N-O 3.19Å; T591-V611 PolarHBondContact O-N 2.93Å
592	T	35.6	Very low	34.7	Very low	46 Å²	46	95.9 Å²	95.9	28%	0.282	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.8	123.9	173.4	-60.4	0	0	0	0	109.5	T608 T609 T610	T592-T608 HydrophobicContact CG2-CG2 3.6Å; T592-T609 WeakPolarHBondContact CA-O 3.07Å; T592-T610 WeakPolarHBondContact CG2-OG1 3.42Å; T592-T610 WeakPolarHBondContact OG1-CG2 3.5Å; T592-T610 PolarHBondContact OG1-OG1 3.36Å
593	T	38.4	Very low	35	Very low	51 Å²	51	91.1 Å²	91.1	31%	0.313	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.5	121.5	173.5	-55.3	0	0	0	0	108.4	T609	T593-T609 PolarHBondContact N-O 2.71Å; T593-T609 PolarHBondContact O-N 2.76Å
594	T	35.5	Very low	35.3	Very low	55 Å²	55	89.6 Å²	89.6	34%	0.337	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.6	122.3	174.6	-54.2	0	0	0	0	109	T606	T594-T606 HydrophobicContact CG2-CG2 3.8Å
595	T	36.9	Very low	35.5	Very low	61 Å²	61	87.7 Å²	87.7	37%	0.374	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116	121	-179.5	-36.2	0	0	0	0	108.9	T607	T595-T607 PolarHBondContact N-O 2.75Å; T595-T607 PolarHBondContact O-N 3.42Å
596	T	36.2	Very low	35.9	Very low	62 Å²	62	87.2 Å²	87.2	38%	0.38	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.1	113.6	179.3	-50.8	0	0	0	0	109.2
597	S	35.6	Very low	36.1	Very low	75 Å²	75	85.4 Å²	85.4	52%	0.524	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140.5	173.6	58.1	0	0	0	0	110.5	T605	S597-T605 PolarHBondContact N-O 2.84Å; S597-T605 PolarHBondContact O-N 3.38Å
598	H	37	Very low	36.4	Very low	148 Å²	148	83.3 Å²	83.3	69%	0.685	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.9	168.2	-84.3	46.4	0	0	0	107.8	A604	H598-A604 WeakPolarHBondContact CE1-CB 3.13Å; H598-A604 WeakPolarHBondContact ND1-CB 3.34Å
599	N	35.6	Very low	36.7	Very low	124 Å²	124	82.8 Å²	82.8	66%	0.663	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.5	176.1	-150.4	6	0	0	0	108	G601 A602	N599-G601 PolarHBondContact O-N 3.2Å; N599-A602 PolarHBondContact O-N 3.1Å
600	P	32.8	Very low	36.8	Very low	133 Å²	133	81 Å²	81	86%	0.864	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	102.5	-174.6	-16.9	30.4	0	0	0	110.8
601	G	40.9	Very low	37	Very low	88 Å²	88	81.3 Å²	81.3	91%	0.907	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	124.4	-4.8	-179.4	0	0	0	0	0	115.8	N599	N599-G601 PolarHBondContact O-N 3.2Å
602	A	40.9	Very low	36.8	Very low	72 Å²	72	82 Å²	82	60%	0.595	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	154.5	174.6	0	0	0	0	0	112.1	N599	N599-A602 PolarHBondContact O-N 3.1Å
603	S	32.2	Very low	37	Very low	117 Å²	117	86.4 Å²	86.4	82%	0.818	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.4	137.7	177.5	-73.3	0	0	0	0	112
604	A	36.9	Very low	36.5	Very low	52 Å²	52	88.1 Å²	88.1	43%	0.43	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-54.4	135.7	179.6	0	0	0	0	0	112.7	H598	H598-A604 WeakPolarHBondContact CE1-CB 3.13Å; H598-A604 WeakPolarHBondContact ND1-CB 3.34Å
605	T	35.3	Very low	36.3	Very low	83 Å²	83	92 Å²	92	51%	0.509	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.8	126.3	175.2	-57.8	0	0	0	0	109.2	S597	S597-T605 PolarHBondContact N-O 2.84Å; S597-T605 PolarHBondContact O-N 3.38Å
606	T	38.7	Very low	36.1	Very low	84 Å²	84	100.7 Å²	100.7	52%	0.515	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.2	123.9	178.1	-52.9	0	0	0	0	108.9	T594	T594-T606 HydrophobicContact CG2-CG2 3.8Å
607	T	37.3	Very low	36.1	Very low	80 Å²	80	102.7 Å²	102.7	49%	0.491	64%	0.639	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.7	125.2	178	-54.7	0	0	0	0	108.9	T595	T595-T607 PolarHBondContact N-O 2.75Å; T595-T607 PolarHBondContact O-N 3.42Å
608	T	38.5	Very low	36.1	Very low	85 Å²	85	104.1 Å²	104.1	52%	0.521	65%	0.645	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.6	121.6	179.3	-54.3	0	0	0	0	109.8	T592	T592-T608 HydrophobicContact CG2-CG2 3.6Å
609	T	37.9	Very low	36	Very low	77 Å²	77	101.7 Å²	101.7	47%	0.472	64%	0.643	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.8	121.7	179.7	-52.9	0	0	0	0	109.4	T592 T593 V611	T592-T609 WeakPolarHBondContact CA-O 3.07Å; T593-T609 PolarHBondContact N-O 2.71Å; T593-T609 PolarHBondContact O-N 2.76Å; T609-V611 HydrophobicContact CG2-CG2 4.48Å
610	T	39.8	Very low	36.1	Very low	81 Å²	81	100.4 Å²	100.4	50%	0.497	64%	0.642	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111	127	175.6	-59.8	0	0	0	0	109.9	T592	T592-T610 WeakPolarHBondContact CG2-OG1 3.42Å; T592-T610 WeakPolarHBondContact OG1-CG2 3.5Å; T592-T610 PolarHBondContact OG1-OG1 3.36Å
611	V	38	Very low	36.3	Very low	70 Å²	70	98.3 Å²	98.3	42%	0.424	63%	0.628	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.2	124	175.1	-173.3	0	0	0	0	108.6	S590 T591 T609 F613	S590-V611 WeakPolarHBondContact CA-O 3.49Å; T591-V611 PolarHBondContact N-O 3.19Å; T591-V611 PolarHBondContact O-N 2.93Å; T609-V611 HydrophobicContact CG2-CG2 4.48Å; V611-F613 HydrophobicContact CG1-CD2 4.2Å; V611-F613 HydrophobicContact CG1-CE2 3.61Å; V611-F613 HydrophobicContact CG1-CZ 4.04Å
612	S	32.9	Very low	35.9	Very low	78 Å²	78	99 Å²	99	55%	0.545	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.9	126.9	179.5	-63.3	0	0	0	0	110.2	S590	S590-S612 PolarHBondContact OG-OG 3.14Å
613	F	39.1	Very low	35.6	Very low	138 Å²	138	100.9 Å²	100.9	61%	0.605	61%	0.61	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105	124.3	174.1	-73.1	-84.1	0	0	0	110.4	L589 V611	L589-F613 PolarHBondContact N-O 3.43Å; L589-F613 PolarHBondContact O-N 3.36Å; V611-F613 HydrophobicContact CG1-CD2 4.2Å; V611-F613 HydrophobicContact CG1-CE2 3.61Å; V611-F613 HydrophobicContact CG1-CZ 4.04Å
614	A	28.9	Very low	35.9	Very low	88 Å²	88	99.7 Å²	99.7	73%	0.727	59%	0.594	S	S	*	*			trans	-88.8	125.5	161	0	0	0	0	0	108.1
615	L	31.6	Very low	35.8	Very low	137 Å²	137	103.7 Å²	103.7	72%	0.717	61%	0.608	S	S	*	*			trans	-79	125	167.2	-78.1	157.5	0	0	0	108.1
616	L	31.3	Very low	35.8	Very low	243 Å²	243	105.5 Å²	105.5	100%	1.272	62%	0.617	S	S	*	*			trans	-97.1	0	166.3	-90.3	168.1	0	0	0	109.3

Retrieved 616 of 616 residues in 260.8 ms (Link to these results)

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