G4VIY7_SCHMA Loading...

Tyramine/octopamine receptor

AlphaFold DB , UniProt , Accession G4VIY7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 534 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.5	Very low	44.3	Very low	223 Å²	223	118 Å²	118	100%	1.099	65%	0.654	S	S	*	*				0	-11.6	0	-81.1	-177.5	-129.7	0	0	113.5
2	E	44.2	Very low	44.3	Very low	181 Å²	181	116.8 Å²	116.8	85%	0.846	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-22.3	-179.5	-71.5	170.2	152.7	0	0	114.6	C4	E2-C4 PolarHBondContact O-N 3.41Å
3	A	46.3	Very low	44.4	Very low	82 Å²	82	120.4 Å²	120.4	68%	0.678	65%	0.65	S	S	*	*	H	α-helix	trans	-74.1	-20.5	178.3	0	0	0	0	0	114.5
4	C	41	Very low	44.7	Very low	91 Å²	91	119.8 Å²	119.8	62%	0.615	65%	0.646	S	S	*	*	H	α-helix	trans	-83.3	-22.2	178.8	-82	0	0	0	0	113.7	E2 I8	E2-C4 PolarHBondContact O-N 3.41Å; C4-I8 WeakPolarHBondContact O-CG1 3.39Å
5	H	43.3	Very low	45.2	Very low	142 Å²	142	117.4 Å²	117.4	66%	0.657	64%	0.637	S	S	*	*	H	α-helix	trans	-77.9	-25.6	179.9	-91.3	-96.4	0	0	0	113.3	S9	H5-S9 PolarHBondContact O-N 3.28Å; H5-S9 PolarHBondContact O-OG 3.43Å
6	A	44.7	Very low	46.2	Very low	51 Å²	51	115.4 Å²	115.4	42%	0.421	63%	0.626	S	S	.	*	H	α-helix	trans	-71.4	-40.5	177	0	0	0	0	0	112.4	S9 Y10	A6-S9 PolarHBondContact O-N 3.42Å; A6-Y10 WeakPolarHBondContact O-CD2 3.26Å; A6-Y10 PolarHBondContact O-N 2.88Å; A6-Y10 VanDerWaalsContact O-N 3.16Å
7	N	45.3	Very low	47.5	Very low	127 Å²	127	111.2 Å²	111.2	68%	0.679	61%	0.607	S	S	*	*	H	α-helix	trans	-74.5	-28.3	-177.5	-79.3	-10.5	0	0	0	113.8	S9 G11	N7-S9 VanDerWaalsContact C-N 3.34Å; N7-G11 PolarHBondContact O-N 3.07Å; N7-G11 VanDerWaalsContact O-N 3.11Å
8	I	44.9	Very low	49	Very low	107 Å²	107	110.8 Å²	110.8	55%	0.549	60%	0.604	S	S	.	*	H	α-helix	trans	-72.9	-33	174.4	-63.8	170.9	0	0	0	110.5	C4 G11 L12	C4-I8 WeakPolarHBondContact O-CG1 3.39Å; I8-G11 PolarHBondContact O-N 3.45Å; I8-L12 HydrophobicContact CG2-CD1 3.79Å; I8-L12 WeakPolarHBondContact O-CB 3.46Å; I8-L12 PolarHBondContact O-N 3.46Å
9	S	44.9	Very low	50.5	Low	71 Å²	71	111.9 Å²	111.9	50%	0.497	60%	0.603	S	S	.	*	H	α-helix	trans	-68.5	-41.6	176.4	-52.2	0	0	0	0	111.9	H5 A6 N7 F13	H5-S9 PolarHBondContact O-N 3.28Å; H5-S9 PolarHBondContact O-OG 3.43Å; A6-S9 PolarHBondContact O-N 3.42Å; N7-S9 VanDerWaalsContact C-N 3.34Å; S9-F13 WeakPolarHBondContact O-CB 3.21Å; S9-F13 PolarHBondContact O-N 3.45Å; S9-F13 VanDerWaalsContact O-N 3.09Å
10	Y	45.7	Very low	51.9	Low	180 Å²	180	111.3 Å²	111.3	71%	0.706	60%	0.598	S	S	*	*	H	α-helix	trans	-70.2	-32.3	175.2	-89.2	-89.5	0	0	0	113.1	A6 N14	A6-Y10 WeakPolarHBondContact O-CD2 3.26Å; A6-Y10 PolarHBondContact O-N 2.88Å; A6-Y10 VanDerWaalsContact O-N 3.16Å; Y10-N14 PolarHBondContact O-N 3.39Å
11	G	43.1	Very low	53.3	Low	43 Å²	43	110.3 Å²	110.3	44%	0.443	59%	0.593	S	S	.	*	H	α-helix	trans	-71.8	-34.6	175.9	0	0	0	0	0	114.3	N7 I8 T15	N7-G11 PolarHBondContact O-N 3.07Å; N7-G11 VanDerWaalsContact O-N 3.11Å; I8-G11 PolarHBondContact O-N 3.45Å; G11-T15 PolarHBondContact O-OG1 3.48Å
12	L	43.4	Very low	55	Low	103 Å²	103	104.2 Å²	104.2	54%	0.539	57%	0.565	S	S	.	*	H	α-helix	trans	-82.4	-26.1	176.6	-77.6	161.6	0	0	0	113.2	I8 T15 N16	I8-L12 HydrophobicContact CG2-CD1 3.79Å; I8-L12 WeakPolarHBondContact O-CB 3.46Å; I8-L12 PolarHBondContact O-N 3.46Å; L12-T15 PolarHBondContact O-OG1 3.44Å; L12-N16 WeakPolarHBondContact O-CB 3.42Å; L12-N16 VanDerWaalsContact O-CG 3.24Å; L12-N16 PolarHBondContact O-N 3.43Å; L12-N16 PolarHBondContact O-ND2 3.5Å
13	F	46.2	Very low	56.7	Low	164 Å²	164	100.1 Å²	100.1	72%	0.719	55%	0.548	S	S	*	.	H	α-helix	trans	-74.8	-36.4	177.3	-136.6	-95.6	0	0	0	112.3	S9 N16 S17	S9-F13 WeakPolarHBondContact O-CB 3.21Å; S9-F13 PolarHBondContact O-N 3.45Å; S9-F13 VanDerWaalsContact O-N 3.09Å; F13-N16 PolarHBondContact O-N 3.48Å; F13-S17 PolarHBondContact O-N 3.42Å; F13-S17 VanDerWaalsContact O-N 3.1Å
14	N	48.6	Very low	58.4	Low	112 Å²	112	100 Å²	100	60%	0.599	54%	0.539	S	S	*	.	H	α-helix	trans	-71.5	-36.3	177.7	-95.2	-4.5	0	0	0	112.9	Y10 S17	Y10-N14 PolarHBondContact O-N 3.39Å; N14-S17 PolarHBondContact O-OG 3.27Å
15	T	52.5	Low	60.3	Low	84 Å²	84	100.1 Å²	100.1	52%	0.515	53%	0.534	S	S	.	.	H	α-helix	trans	-70.9	-33.5	174.8	49.1	0	0	0	0	112.4	G11 L12 F19	G11-T15 PolarHBondContact O-OG1 3.48Å; L12-T15 PolarHBondContact O-OG1 3.44Å; T15-F19 PolarHBondContact O-N 3.29Å
16	N	60.5	Low	62.1	Low	85 Å²	85	98.8 Å²	98.8	46%	0.455	53%	0.531	S	S	.	.	H	α-helix	trans	-69.3	-34.9	174.5	-79.7	-17.7	0	0	0	113.3	L12 F13 F19 I20	L12-N16 WeakPolarHBondContact O-CB 3.42Å; L12-N16 VanDerWaalsContact O-CG 3.24Å; L12-N16 PolarHBondContact O-N 3.43Å; L12-N16 PolarHBondContact O-ND2 3.5Å; F13-N16 PolarHBondContact O-N 3.48Å; N16-F19 PolarHBondContact O-N 3.08Å; N16-I20 WeakPolarHBondContact O-CB 3.43Å; N16-I20 VanDerWaalsContact O-CG1 3.22Å; N16-I20 WeakPolarHBondContact O-CG1 3.28Å; N16-I20 PolarHBondContact O-N 3.02Å
17	S	67.9	Low	63.8	Low	44 Å²	44	100 Å²	100	31%	0.308	53%	0.533	S	S	.	.	H	α-helix	trans	-64.3	-44.3	-179.9	71.3	0	0	0	0	112.7	F13 N14 N21	F13-S17 PolarHBondContact O-N 3.42Å; F13-S17 VanDerWaalsContact O-N 3.1Å; N14-S17 PolarHBondContact O-OG 3.27Å; S17-N21 WeakPolarHBondContact O-CB 3.48Å; S17-N21 PolarHBondContact O-N 3.07Å; S17-N21 PolarHBondContact O-ND2 2.9Å; S17-N21 VanDerWaalsContact O-ND2 3.11Å
18	N	75.5	Confident	65.5	Low	104 Å²	104	99.4 Å²	99.4	56%	0.556	53%	0.525	S	S	*	.	H	α-helix	trans	-66.1	-44.4	177	-69.2	-21.7	0	0	0	111.3	I20 N21 D22	N18-I20 PolarHBondContact O-N 3.39Å; N18-N21 PolarHBondContact O-N 3.35Å; N18-D22 WeakPolarHBondContact O-CB 3.48Å; N18-D22 VanDerWaalsContact O-CG 3.29Å; N18-D22 PolarHBondContact O-N 3.2Å
19	F	76.6	Confident	67	Low	133 Å²	133	98.6 Å²	98.6	58%	0.583	52%	0.524	S	S	*	.	H	α-helix	trans	-62.5	-42.4	178	-179.4	-101.6	0	0	0	113.1	T15 N16 D22 L23	T15-F19 PolarHBondContact O-N 3.29Å; N16-F19 PolarHBondContact O-N 3.08Å; F19-D22 PolarHBondContact O-N 3.04Å; F19-L23 WeakPolarHBondContact O-CB 3.35Å; F19-L23 PolarHBondContact O-N 3.48Å
20	I	78.4	Confident	68.5	Low	98 Å²	98	101.3 Å²	101.3	50%	0.503	53%	0.529	S	S	.	.	H	α-helix	trans	-65.5	-43.3	176.2	-69.5	171.5	0	0	0	110.6	N16 N18 D22 L23 V24	N16-I20 WeakPolarHBondContact O-CB 3.43Å; N16-I20 VanDerWaalsContact O-CG1 3.22Å; N16-I20 WeakPolarHBondContact O-CG1 3.28Å; N16-I20 PolarHBondContact O-N 3.02Å; N18-I20 PolarHBondContact O-N 3.39Å; I20-D22 VanDerWaalsContact C-N 3.34Å; I20-D22 PolarHBondContact O-N 3.46Å; I20-L23 PolarHBondContact O-N 3.43Å; I20-V24 HydrophobicContact CG2-CG2 4.39Å; I20-V24 VanDerWaalsContact O-CG2 3.31Å; I20-V24 WeakPolarHBondContact O-CG2 3.44Å; I20-V24 PolarHBondContact O-N 3.33Å
21	N	81.4	Confident	69.9	Low	91 Å²	91	95.9 Å²	95.9	49%	0.487	52%	0.518	S	S	.	.	H	α-helix	trans	-62	-40.9	176.9	-73.1	-27	0	0	0	111.9	S17 N18 V24 N25	S17-N21 WeakPolarHBondContact O-CB 3.48Å; S17-N21 PolarHBondContact O-N 3.07Å; S17-N21 PolarHBondContact O-ND2 2.9Å; S17-N21 VanDerWaalsContact O-ND2 3.11Å; N18-N21 PolarHBondContact O-N 3.35Å; N21-V24 PolarHBondContact O-N 3.5Å; N21-N25 WeakPolarHBondContact O-CB 3.49Å; N21-N25 VanDerWaalsContact O-CG 3.29Å; N21-N25 PolarHBondContact O-N 2.99Å; N21-N25 PolarHBondContact O-ND2 3.28Å
22	D	81.1	Confident	71.6	Confident	96 Å²	96	98.5 Å²	98.5	51%	0.513	52%	0.518	S	S	.	.	H	α-helix	trans	-64.9	-41.1	176.1	-71.9	-23	0	0	0	111.8	N18 F19 I20 N25 L26	N18-D22 WeakPolarHBondContact O-CB 3.48Å; N18-D22 VanDerWaalsContact O-CG 3.29Å; N18-D22 PolarHBondContact O-N 3.2Å; F19-D22 PolarHBondContact O-N 3.04Å; I20-D22 VanDerWaalsContact C-N 3.34Å; I20-D22 PolarHBondContact O-N 3.46Å; D22-N25 PolarHBondContact O-N 3.5Å; D22-L26 WeakPolarHBondContact O-CB 3.4Å; D22-L26 WeakPolarHBondContact O-CG 3.48Å; D22-L26 PolarHBondContact O-N 3.01Å
23	L	79.3	Confident	73.2	Confident	94 Å²	94	98.6 Å²	98.6	49%	0.492	52%	0.517	S	S	.	.	H	α-helix	trans	-66.4	-40.1	176.1	-166	74.1	0	0	0	112.2	F19 I20 L26 T27	F19-L23 WeakPolarHBondContact O-CB 3.35Å; F19-L23 PolarHBondContact O-N 3.48Å; I20-L23 PolarHBondContact O-N 3.43Å; L23-L26 PolarHBondContact O-N 3.34Å; L23-T27 WeakPolarHBondContact O-CG2 3.26Å; L23-T27 PolarHBondContact O-N 2.95Å; L23-T27 PolarHBondContact O-OG1 2.96Å
24	V	81.6	Confident	74.8	Confident	81 Å²	81	95.9 Å²	95.9	49%	0.491	51%	0.505	S	S	.	.	H	α-helix	trans	-64.5	-41.3	173.8	171.5	0	0	0	0	110.7	I20 N21 T27 K28	I20-V24 HydrophobicContact CG2-CG2 4.39Å; I20-V24 VanDerWaalsContact O-CG2 3.31Å; I20-V24 WeakPolarHBondContact O-CG2 3.44Å; I20-V24 PolarHBondContact O-N 3.33Å; N21-V24 PolarHBondContact O-N 3.5Å; V24-T27 WeakPolarHBondContact CA-OG1 3.38Å; V24-T27 PolarHBondContact O-OG1 3.31Å; V24-K28 VanDerWaalsContact O-CB 3.25Å; V24-K28 WeakPolarHBondContact O-CB 3.35Å; V24-K28 PolarHBondContact O-N 3.36Å
25	N	82.1	Confident	76.4	Confident	92 Å²	92	93.4 Å²	93.4	49%	0.492	50%	0.496	S	S	.	.	H	α-helix	trans	-64.9	-42.5	175	-76.7	-25.9	0	0	0	111.9	N21 D22 K28 V29	N21-N25 WeakPolarHBondContact O-CB 3.49Å; N21-N25 VanDerWaalsContact O-CG 3.29Å; N21-N25 PolarHBondContact O-N 2.99Å; N21-N25 PolarHBondContact O-ND2 3.28Å; D22-N25 PolarHBondContact O-N 3.5Å; N25-K28 PolarHBondContact O-N 3.45Å; N25-V29 WeakPolarHBondContact O-CB 3.26Å; N25-V29 WeakPolarHBondContact O-CG2 3.46Å; N25-V29 PolarHBondContact O-N 3.07Å
26	L	80.3	Confident	77.9	Confident	115 Å²	115	95.6 Å²	95.6	60%	0.602	50%	0.501	S	S	*	.	H	α-helix	trans	-60.9	-48	175.6	-86.3	155.3	0	0	0	112.1	D22 L23 K28 V29 E30	D22-L26 WeakPolarHBondContact O-CB 3.4Å; D22-L26 WeakPolarHBondContact O-CG 3.48Å; D22-L26 PolarHBondContact O-N 3.01Å; L23-L26 PolarHBondContact O-N 3.34Å; L26-K28 VanDerWaalsContact C-N 3.32Å; L26-K28 PolarHBondContact O-N 3.46Å; L26-V29 PolarHBondContact O-N 2.89Å; L26-E30 WeakPolarHBondContact O-CB 3.28Å; L26-E30 PolarHBondContact O-N 2.86Å
27	T	79.8	Confident	79.2	Confident	76 Å²	76	99.7 Å²	99.7	47%	0.466	51%	0.51	S	S	.	.	H	α-helix	trans	-65.4	-36.2	177.5	51.5	0	0	0	0	112.1	L23 V24 E30 S31	L23-T27 WeakPolarHBondContact O-CG2 3.26Å; L23-T27 PolarHBondContact O-N 2.95Å; L23-T27 PolarHBondContact O-OG1 2.96Å; V24-T27 WeakPolarHBondContact CA-OG1 3.38Å; V24-T27 PolarHBondContact O-OG1 3.31Å; T27-E30 PolarHBondContact O-N 3.17Å; T27-S31 WeakPolarHBondContact O-CB 3.23Å; T27-S31 PolarHBondContact O-N 3.32Å; T27-S31 PolarHBondContact O-OG 3.5Å
28	K	81.7	Confident	80	Confident	115 Å²	115	104.4 Å²	104.4	50%	0.5	52%	0.521	S	S	.	.	H	α-helix	trans	-65.1	-48.9	173.5	-172.7	176.5	175.7	-175.4	0	111.4	V24 N25 L26 E30 S31 E32	V24-K28 VanDerWaalsContact O-CB 3.25Å; V24-K28 WeakPolarHBondContact O-CB 3.35Å; V24-K28 PolarHBondContact O-N 3.36Å; N25-K28 PolarHBondContact O-N 3.45Å; L26-K28 VanDerWaalsContact C-N 3.32Å; L26-K28 PolarHBondContact O-N 3.46Å; K28-E30 VanDerWaalsContact C-N 3.31Å; K28-E30 PolarHBondContact O-N 3.28Å; K28-S31 WeakPolarHBondContact CA-OG 3.48Å; K28-S31 PolarHBondContact O-N 3.16Å; K28-S31 VanDerWaalsContact O-N 3.14Å; K28-S31 PolarHBondContact O-OG 3.22Å; K28-E32 WeakPolarHBondContact CE-OE1 3.41Å; K28-E32 HydrophobicContact CG-CG 4.47Å; K28-E32 WeakPolarHBondContact O-CB 3.14Å; K28-E32 WeakPolarHBondContact O-CG 3.07Å; K28-E32 PolarHBondContact O-N 3.46Å
29	V	77.4	Confident	80.6	Confident	89 Å²	89	105.6 Å²	105.6	54%	0.539	52%	0.522	S	S	.	.	H	α-helix	trans	-59.2	-42.2	175.6	169.8	0	0	0	0	110.8	N25 L26 E32 M33	N25-V29 WeakPolarHBondContact O-CB 3.26Å; N25-V29 WeakPolarHBondContact O-CG2 3.46Å; N25-V29 PolarHBondContact O-N 3.07Å; L26-V29 PolarHBondContact O-N 2.89Å; V29-E32 PolarHBondContact O-N 3Å; V29-M33 WeakPolarHBondContact O-CB 3.43Å; V29-M33 PolarHBondContact O-N 3.49Å
30	E	74.6	Confident	81.2	Confident	129 Å²	129	100.7 Å²	100.7	60%	0.603	51%	0.508	S	S	*	.	H	α-helix	trans	-63.9	-41.9	175.6	-170.3	176.1	-175.8	0	0	111.6	L26 T27 K28 F34	L26-E30 WeakPolarHBondContact O-CB 3.28Å; L26-E30 PolarHBondContact O-N 2.86Å; T27-E30 PolarHBondContact O-N 3.17Å; K28-E30 VanDerWaalsContact C-N 3.31Å; K28-E30 PolarHBondContact O-N 3.28Å; E30-F34 WeakPolarHBondContact O-CB 3.45Å; E30-F34 PolarHBondContact O-N 3.28Å
31	S	76.7	Confident	81.8	Confident	66 Å²	66	100.6 Å²	100.6	46%	0.462	51%	0.508	S	S	.	.	H	α-helix	trans	-67.3	-40.7	177.3	76.1	0	0	0	0	113.2	T27 K28 F34 S35	T27-S31 WeakPolarHBondContact O-CB 3.23Å; T27-S31 PolarHBondContact O-N 3.32Å; T27-S31 PolarHBondContact O-OG 3.5Å; K28-S31 WeakPolarHBondContact CA-OG 3.48Å; K28-S31 PolarHBondContact O-N 3.16Å; K28-S31 VanDerWaalsContact O-N 3.14Å; K28-S31 PolarHBondContact O-OG 3.22Å; S31-F34 PolarHBondContact O-N 3.05Å; S31-S35 WeakPolarHBondContact O-CB 3.32Å; S31-S35 PolarHBondContact O-N 3.47Å
32	E	78.7	Confident	82.1	Confident	98 Å²	98	100.2 Å²	100.2	46%	0.458	51%	0.506	S	S	.	.	H	α-helix	trans	-67.4	-49.6	176.8	-75.5	179.4	-179	0	0	109.8	K28 V29 F34 S35 E36	K28-E32 WeakPolarHBondContact CE-OE1 3.41Å; K28-E32 HydrophobicContact CG-CG 4.47Å; K28-E32 WeakPolarHBondContact O-CB 3.14Å; K28-E32 WeakPolarHBondContact O-CG 3.07Å; K28-E32 PolarHBondContact O-N 3.46Å; V29-E32 PolarHBondContact O-N 3Å; E32-F34 VanDerWaalsContact C-N 3.31Å; E32-F34 PolarHBondContact O-N 3.45Å; E32-S35 WeakPolarHBondContact O-CA 3.43Å; E32-S35 WeakPolarHBondContact O-CB 3.33Å; E32-S35 PolarHBondContact O-N 3.35Å; E32-S35 PolarHBondContact O-OG 3.35Å; E32-E36 WeakPolarHBondContact O-CG 3.47Å; E32-E36 PolarHBondContact O-N 3.13Å
33	M	75.9	Confident	82.7	Confident	105 Å²	105	99.6 Å²	99.6	52%	0.517	50%	0.502	S	S	.	.	H	α-helix	trans	-56.9	-46	175.6	-175.2	178	69.3	0	0	110.8	V29 S35 E36 W37	V29-M33 WeakPolarHBondContact O-CB 3.43Å; V29-M33 PolarHBondContact O-N 3.49Å; M33-S35 VanDerWaalsContact C-N 3.31Å; M33-S35 PolarHBondContact O-N 3.45Å; M33-E36 PolarHBondContact O-N 3.38Å; M33-W37 PolarHBondContact O-N 3.13Å
34	F	80	Confident	83.3	Confident	107 Å²	107	99.7 Å²	99.7	47%	0.469	50%	0.502	S	S	.	.	H	α-helix	trans	-63.9	-34.7	177	-173	-122.2	0	0	0	112.9	E30 S31 E32 R38	E30-F34 WeakPolarHBondContact O-CB 3.45Å; E30-F34 PolarHBondContact O-N 3.28Å; S31-F34 PolarHBondContact O-N 3.05Å; E32-F34 VanDerWaalsContact C-N 3.31Å; E32-F34 PolarHBondContact O-N 3.45Å; F34-R38 VanDerWaalsContact O-CB 3.31Å; F34-R38 WeakPolarHBondContact O-CB 3.47Å; F34-R38 WeakPolarHBondContact O-CG 3.26Å; F34-R38 PolarHBondContact O-N 2.93Å
35	S	82	Confident	83.9	Confident	59 Å²	59	99.2 Å²	99.2	41%	0.413	50%	0.496	S	S	.	.	H	α-helix	trans	-68.1	-41.7	174.8	77.6	0	0	0	0	112.5	S31 E32 M33 R38 F39	S31-S35 WeakPolarHBondContact O-CB 3.32Å; S31-S35 PolarHBondContact O-N 3.47Å; E32-S35 WeakPolarHBondContact O-CA 3.43Å; E32-S35 WeakPolarHBondContact O-CB 3.33Å; E32-S35 PolarHBondContact O-N 3.35Å; E32-S35 PolarHBondContact O-OG 3.35Å; M33-S35 VanDerWaalsContact C-N 3.31Å; M33-S35 PolarHBondContact O-N 3.45Å; S35-R38 PolarHBondContact O-N 3.22Å; S35-F39 WeakPolarHBondContact O-CB 3.26Å; S35-F39 PolarHBondContact O-N 3.18Å
36	E	85.1	Confident	84.4	Confident	130 Å²	130	96.2 Å²	96.2	61%	0.607	48%	0.48	S	S	*	.	H	α-helix	trans	-65.3	-46.2	176.5	-71.6	-60.7	145.8	0	0	111.4	E32 M33 R38 F39 G40	E32-E36 WeakPolarHBondContact O-CG 3.47Å; E32-E36 PolarHBondContact O-N 3.13Å; M33-E36 PolarHBondContact O-N 3.38Å; E36-R38 VanDerWaalsContact C-N 3.33Å; E36-R38 PolarHBondContact O-N 3.41Å; E36-F39 PolarHBondContact O-N 2.96Å; E36-G40 PolarHBondContact O-N 3.46Å
37	W	86.7	Confident	85.1	Confident	172 Å²	172	93.4 Å²	93.4	65%	0.652	47%	0.47	S	S	*	.	H	α-helix	trans	-60.4	-42.6	174.1	-75.1	114.4	0	0	0	111.8	M33 F39 G40 L41	M33-W37 PolarHBondContact O-N 3.13Å; W37-F39 VanDerWaalsContact C-N 3.35Å; W37-G40 PolarHBondContact O-N 3.29Å; W37-L41 VanDerWaalsContact O-CB 3.3Å; W37-L41 WeakPolarHBondContact O-CB 3.43Å; W37-L41 WeakPolarHBondContact O-CG 3.36Å; W37-L41 PolarHBondContact O-N 3.12Å
38	R	85.5	Confident	85.8	Confident	143 Å²	143	94.6 Å²	94.6	54%	0.54	47%	0.473	S	S	.	.	H	α-helix	trans	-62.1	-42.3	175.9	-81.2	174.3	161.9	-171.7	-3.5	112	F34 S35 E36 N42	F34-R38 VanDerWaalsContact O-CB 3.31Å; F34-R38 WeakPolarHBondContact O-CB 3.47Å; F34-R38 WeakPolarHBondContact O-CG 3.26Å; F34-R38 PolarHBondContact O-N 2.93Å; S35-R38 PolarHBondContact O-N 3.22Å; E36-R38 VanDerWaalsContact C-N 3.33Å; E36-R38 PolarHBondContact O-N 3.41Å; R38-N42 WeakPolarHBondContact O-CB 3.09Å; R38-N42 VanDerWaalsContact O-CG 3.22Å; R38-N42 PolarHBondContact O-N 2.79Å; R38-N42 PolarHBondContact O-ND2 2.9Å
39	F	87	Confident	86.4	Confident	129 Å²	129	89.6 Å²	89.6	57%	0.566	45%	0.451	S	S	*	.	H	α-helix	trans	-63.9	-48.7	177.1	-176.2	-105.9	0	0	0	111.5	S35 E36 W37 L41 N42 I43	S35-F39 WeakPolarHBondContact O-CB 3.26Å; S35-F39 PolarHBondContact O-N 3.18Å; E36-F39 PolarHBondContact O-N 2.96Å; W37-F39 VanDerWaalsContact C-N 3.35Å; F39-L41 PolarHBondContact O-N 3.35Å; F39-N42 PolarHBondContact O-N 2.97Å; F39-I43 HydrophobicContact CD1-CD1 3.8Å; F39-I43 HydrophobicContact CE1-CD1 3.34Å; F39-I43 HydrophobicContact CE1-CG1 4.38Å; F39-I43 HydrophobicContact CE2-CD1 4.47Å; F39-I43 HydrophobicContact CZ-CD1 3.73Å; F39-I43 HydrophobicContact CZ-CG1 4.44Å; F39-I43 WeakPolarHBondContact O-CG1 3.23Å; F39-I43 PolarHBondContact O-N 3.23Å
40	G	90.3	Very high	87.3	Confident	29 Å²	29	89 Å²	89	30%	0.299	44%	0.444	S	S	.	.	H	α-helix	trans	-59.6	-44.1	175.6	0	0	0	0	0	113.1	E36 W37 N42 I43 I44	E36-G40 PolarHBondContact O-N 3.46Å; W37-G40 PolarHBondContact O-N 3.29Å; G40-N42 PolarHBondContact O-N 3.23Å; G40-I43 PolarHBondContact O-N 2.99Å; G40-I44 WeakPolarHBondContact O-CG1 3.39Å; G40-I44 PolarHBondContact O-N 3.18Å
41	L	90.1	Very high	88.3	Confident	96 Å²	96	87.2 Å²	87.2	50%	0.503	44%	0.438	S	S	.	.	H	α-helix	trans	-61.5	-42.6	174.8	-74.4	172.8	0	0	0	112	W37 F39 I43 I44 I45	W37-L41 VanDerWaalsContact O-CB 3.3Å; W37-L41 WeakPolarHBondContact O-CB 3.43Å; W37-L41 WeakPolarHBondContact O-CG 3.36Å; W37-L41 PolarHBondContact O-N 3.12Å; F39-L41 PolarHBondContact O-N 3.35Å; L41-I43 VanDerWaalsContact C-N 3.35Å; L41-I43 PolarHBondContact O-N 3.18Å; L41-I44 PolarHBondContact O-N 3.47Å; L41-I45 WeakPolarHBondContact O-CB 3.14Å; L41-I45 VanDerWaalsContact O-CG1 3.23Å; L41-I45 WeakPolarHBondContact O-CG1 3.37Å; L41-I45 PolarHBondContact O-N 3.38Å
42	N	88.9	Confident	89.2	Confident	83 Å²	83	85.2 Å²	85.2	44%	0.444	42%	0.424	S	S	.	.	H	α-helix	trans	-61.8	-41.7	176.5	-77	-25.8	0	0	0	111.9	R38 F39 G40 I44 I45 I46	R38-N42 WeakPolarHBondContact O-CB 3.09Å; R38-N42 VanDerWaalsContact O-CG 3.22Å; R38-N42 PolarHBondContact O-N 2.79Å; R38-N42 PolarHBondContact O-ND2 2.9Å; F39-N42 PolarHBondContact O-N 2.97Å; G40-N42 PolarHBondContact O-N 3.23Å; N42-I44 PolarHBondContact O-N 3.44Å; N42-I45 PolarHBondContact O-N 2.81Å; N42-I46 WeakPolarHBondContact O-CB 3.5Å; N42-I46 WeakPolarHBondContact O-CD1 3.45Å; N42-I46 VanDerWaalsContact O-CG1 3.29Å; N42-I46 WeakPolarHBondContact O-CG1 3.33Å; N42-I46 PolarHBondContact O-N 3.49Å
43	I	92.1	Very high	90.1	Very high	83 Å²	83	81.7 Å²	81.7	43%	0.426	41%	0.408	S	S	.	.	H	α-helix	trans	-60.6	-45.3	175	-70	171.7	0	0	0	111	F39 G40 L41 I46 S47	F39-I43 HydrophobicContact CD1-CD1 3.8Å; F39-I43 HydrophobicContact CE1-CD1 3.34Å; F39-I43 HydrophobicContact CE1-CG1 4.38Å; F39-I43 HydrophobicContact CE2-CD1 4.47Å; F39-I43 HydrophobicContact CZ-CD1 3.73Å; F39-I43 HydrophobicContact CZ-CG1 4.44Å; F39-I43 WeakPolarHBondContact O-CG1 3.23Å; F39-I43 PolarHBondContact O-N 3.23Å; G40-I43 PolarHBondContact O-N 2.99Å; L41-I43 VanDerWaalsContact C-N 3.35Å; L41-I43 PolarHBondContact O-N 3.18Å; I43-I46 PolarHBondContact O-N 2.94Å; I43-S47 WeakPolarHBondContact O-CB 3.39Å; I43-S47 PolarHBondContact O-N 3.45Å; I43-S47 PolarHBondContact O-OG 2.89Å
44	I	93.9	Very high	91.1	Very high	97 Å²	97	81 Å²	81	50%	0.497	41%	0.406	S	S	.	.	H	α-helix	trans	-61.9	-46.5	178.1	-67.5	165.7	0	0	0	110.2	G40 L41 N42 S47 L48	G40-I44 WeakPolarHBondContact O-CG1 3.39Å; G40-I44 PolarHBondContact O-N 3.18Å; L41-I44 PolarHBondContact O-N 3.47Å; N42-I44 PolarHBondContact O-N 3.44Å; I44-S47 PolarHBondContact O-N 2.98Å; I44-L48 HydrophobicContact CG2-CD1 4.02Å; I44-L48 HydrophobicContact CG2-CG 4.44Å; I44-L48 VanDerWaalsContact O-CG 3.31Å; I44-L48 WeakPolarHBondContact O-CG 3.1Å; I44-L48 PolarHBondContact O-N 3.41Å
45	I	92.4	Very high	91.9	Very high	71 Å²	71	81.4 Å²	81.4	36%	0.364	41%	0.408	S	S	.	.	H	α-helix	trans	-59.6	-51.2	178.9	-70.5	164.9	0	0	0	110.5	L41 N42 S47 L48 Q49	L41-I45 WeakPolarHBondContact O-CB 3.14Å; L41-I45 VanDerWaalsContact O-CG1 3.23Å; L41-I45 WeakPolarHBondContact O-CG1 3.37Å; L41-I45 PolarHBondContact O-N 3.38Å; N42-I45 PolarHBondContact O-N 2.81Å; I45-S47 VanDerWaalsContact C-N 3.3Å; I45-S47 PolarHBondContact O-N 3.12Å; I45-L48 PolarHBondContact O-N 3.46Å; I45-Q49 HydrophobicContact CG2-CG 4.42Å; I45-Q49 VanDerWaalsContact CG2-NE2 3.32Å; I45-Q49 WeakPolarHBondContact O-CG 3.34Å; I45-Q49 PolarHBondContact O-N 2.9Å
46	I	92.9	Very high	92.6	Very high	29 Å²	29	78.6 Å²	78.6	15%	0.149	39%	0.388	C	S	.	.	H	α-helix	trans	-60.5	-40.9	179.1	-69.6	162.7	0	0	0	110.8	N42 I43 L48 Q49 I50 I100 Q103 V104	N42-I46 WeakPolarHBondContact O-CB 3.5Å; N42-I46 WeakPolarHBondContact O-CD1 3.45Å; N42-I46 VanDerWaalsContact O-CG1 3.29Å; N42-I46 WeakPolarHBondContact O-CG1 3.33Å; N42-I46 PolarHBondContact O-N 3.49Å; I43-I46 PolarHBondContact O-N 2.94Å; I46-L48 PolarHBondContact O-N 3.17Å; I46-Q49 WeakPolarHBondContact O-CB 3.43Å; I46-Q49 PolarHBondContact O-N 3.28Å; I46-I50 HydrophobicContact CG2-CD1 3.92Å; I46-I50 WeakPolarHBondContact O-CG1 3.37Å; I46-I50 PolarHBondContact O-N 3.22Å; I46-I100 HydrophobicContact CG2-CG2 4.37Å; I46-Q103 HydrophobicContact CG1-CG 4.41Å; I46-V104 HydrophobicContact CD1-CG2 3.97Å; I46-V104 HydrophobicContact CG1-CG2 4.36Å; I46-V104 HydrophobicContact CG2-CG2 3.83Å
47	S	95.1	Very high	93.3	Very high	56 Å²	56	76.5 Å²	76.5	39%	0.392	38%	0.377	S	S	.	.	H	α-helix	trans	-62.3	-44	177.1	-58.9	0	0	0	0	111.8	I43 I44 I45 Q49 I50 L51	I43-S47 WeakPolarHBondContact O-CB 3.39Å; I43-S47 PolarHBondContact O-N 3.45Å; I43-S47 PolarHBondContact O-OG 2.89Å; I44-S47 PolarHBondContact O-N 2.98Å; I45-S47 VanDerWaalsContact C-N 3.3Å; I45-S47 PolarHBondContact O-N 3.12Å; S47-Q49 VanDerWaalsContact C-N 3.3Å; S47-Q49 PolarHBondContact O-N 3.45Å; S47-I50 PolarHBondContact O-N 2.97Å; S47-L51 VanDerWaalsContact O-CG 3.29Å; S47-L51 WeakPolarHBondContact O-CG 3.47Å; S47-L51 PolarHBondContact O-N 3.2Å
48	L	94.8	Very high	93.8	Very high	101 Å²	101	71.5 Å²	71.5	53%	0.529	37%	0.368	S	S	.	.	H	α-helix	trans	-64.4	-35.1	175.8	-70.7	173.3	0	0	0	112.4	I44 I45 I46 S52	I44-L48 HydrophobicContact CG2-CD1 4.02Å; I44-L48 HydrophobicContact CG2-CG 4.44Å; I44-L48 VanDerWaalsContact O-CG 3.31Å; I44-L48 WeakPolarHBondContact O-CG 3.1Å; I44-L48 PolarHBondContact O-N 3.41Å; I45-L48 PolarHBondContact O-N 3.46Å; I46-L48 PolarHBondContact O-N 3.17Å; L48-S52 VanDerWaalsContact O-CB 3.32Å; L48-S52 WeakPolarHBondContact O-CB 3.49Å; L48-S52 PolarHBondContact O-N 2.94Å; L48-S52 PolarHBondContact O-OG 3.23Å
49	Q	94.6	Very high	94.3	Very high	10 Å²	10	65.3 Å²	65.3	5%	0.047	35%	0.348	C	S	.	.	H	α-helix	trans	-67.1	-46.2	176.5	-73.2	174.5	-1.4	0	0	112.3	I45 I46 S47 L51 S52 D53 I100 Q103 W500	I45-Q49 HydrophobicContact CG2-CG 4.42Å; I45-Q49 VanDerWaalsContact CG2-NE2 3.32Å; I45-Q49 WeakPolarHBondContact O-CG 3.34Å; I45-Q49 PolarHBondContact O-N 2.9Å; I46-Q49 WeakPolarHBondContact O-CB 3.43Å; I46-Q49 PolarHBondContact O-N 3.28Å; S47-Q49 VanDerWaalsContact C-N 3.3Å; S47-Q49 PolarHBondContact O-N 3.45Å; Q49-L51 VanDerWaalsContact C-N 3.34Å; Q49-L51 PolarHBondContact O-N 2.81Å; Q49-S52 PolarHBondContact O-N 3.29Å; Q49-D53 PolarHBondContact O-N 3.02Å; Q49-I100 HydrophobicContact CB-CD1 4.39Å; Q49-I100 HydrophobicContact CB-CG1 4.2Å; Q49-Q103 VanDerWaalsContact OE1-OE1 3.07Å; Q49-W500 HydrophobicContact CB-CE3 4.46Å; Q49-W500 HydrophobicContact CB-CH2 3.39Å; Q49-W500 HydrophobicContact CB-CZ2 3.49Å; Q49-W500 VanDerWaalsContact CB-CZ2 3.49Å; Q49-W500 HydrophobicContact CB-CZ3 3.9Å; Q49-W500 VanDerWaalsContact CD-CZ2 3.41Å; Q49-W500 VanDerWaalsContact CD-NE1 3.35Å; Q49-W500 HydrophobicContact CG-CD2 3.71Å; Q49-W500 HydrophobicContact CG-CE3 3.94Å; Q49-W500 HydrophobicContact CG-CG 4.43Å; Q49-W500 HydrophobicContact CG-CH2 3.62Å; Q49-W500 HydrophobicContact CG-CZ2 3.35Å; Q49-W500 HydrophobicContact CG-CZ3 3.89Å
50	I	96.1	Very high	94.8	Very high	77 Å²	77	59.2 Å²	59.2	40%	0.395	32%	0.321	S	S	.	.	H	α-helix	trans	-60.7	-45.4	175.2	-67.4	166.8	0	0	0	110.3	I46 S47 S52 D53 I54 I100	I46-I50 HydrophobicContact CG2-CD1 3.92Å; I46-I50 WeakPolarHBondContact O-CG1 3.37Å; I46-I50 PolarHBondContact O-N 3.22Å; S47-I50 PolarHBondContact O-N 2.97Å; I50-S52 VanDerWaalsContact C-N 3.34Å; I50-S52 PolarHBondContact O-N 3.4Å; I50-D53 PolarHBondContact O-N 3.12Å; I50-I54 HydrophobicContact CG2-CD1 4.08Å; I50-I54 WeakPolarHBondContact O-CG1 3.37Å; I50-I54 PolarHBondContact O-N 3.07Å; I50-I100 HydrophobicContact CD1-CG2 4.48Å; I50-I100 HydrophobicContact CG1-CD1 4.16Å; I50-I100 HydrophobicContact CG1-CG2 4.02Å
51	L	96.2	Very high	95.2	Very high	90 Å²	90	61.2 Å²	61.2	47%	0.471	33%	0.325	S	S	.	.	H	α-helix	trans	-61.3	-43.4	176.1	-71.5	172.8	0	0	0	111.8	S47 Q49 D53 I54 F55	S47-L51 VanDerWaalsContact O-CG 3.29Å; S47-L51 WeakPolarHBondContact O-CG 3.47Å; S47-L51 PolarHBondContact O-N 3.2Å; Q49-L51 VanDerWaalsContact C-N 3.34Å; Q49-L51 PolarHBondContact O-N 2.81Å; L51-D53 VanDerWaalsContact C-N 3.35Å; L51-D53 PolarHBondContact O-N 3.22Å; L51-I54 PolarHBondContact O-N 3.05Å; L51-F55 WeakPolarHBondContact O-CD2 3.29Å; L51-F55 PolarHBondContact O-N 2.79Å
52	S	95.8	Very high	95.5	Very high	25 Å²	25	58.2 Å²	58.2	18%	0.175	31%	0.309	C	S	.	.	H	α-helix	trans	-61	-43.5	177.3	-61	0	0	0	0	111.5	L48 Q49 I50 F55 I56	L48-S52 VanDerWaalsContact O-CB 3.32Å; L48-S52 WeakPolarHBondContact O-CB 3.49Å; L48-S52 PolarHBondContact O-N 2.94Å; L48-S52 PolarHBondContact O-OG 3.23Å; Q49-S52 PolarHBondContact O-N 3.29Å; I50-S52 VanDerWaalsContact C-N 3.34Å; I50-S52 PolarHBondContact O-N 3.4Å; S52-F55 PolarHBondContact O-N 3.08Å; S52-I56 WeakPolarHBondContact O-CG1 3.44Å; S52-I56 PolarHBondContact O-N 2.63Å
53	D	96.7	Very high	96	Very high	23 Å²	23	54.3 Å²	54.3	12%	0.123	29%	0.288	C	S	.	.	H	α-helix	trans	-60.3	-45.8	176.7	-172.4	29.7	0	0	0	111.9	Q49 I50 L51 F55 I56 F57 A92 L96 I100	Q49-D53 PolarHBondContact O-N 3.02Å; I50-D53 PolarHBondContact O-N 3.12Å; L51-D53 VanDerWaalsContact C-N 3.35Å; L51-D53 PolarHBondContact O-N 3.22Å; D53-F55 VanDerWaalsContact C-N 3.31Å; D53-F55 PolarHBondContact O-N 3.02Å; D53-I56 PolarHBondContact O-N 2.79Å; D53-F57 WeakPolarHBondContact O-CB 2.9Å; D53-F57 PolarHBondContact O-N 3.47Å; D53-A92 VanDerWaalsContact OD1-CA 3.25Å; D53-A92 WeakPolarHBondContact OD1-CA 3.37Å; D53-A92 VanDerWaalsContact OD1-CB 3.27Å; D53-A92 WeakPolarHBondContact OD1-CB 3.4Å; D53-L96 HydrophobicContact CB-CB 4.41Å; D53-L96 HydrophobicContact CB-CD1 4.23Å; D53-L96 WeakPolarHBondContact OD1-CB 3.43Å; D53-L96 WeakPolarHBondContact OD1-CD1 3.3Å; D53-I100 HydrophobicContact CB-CD1 4.19Å
54	I	97.2	Very high	96.2	Very high	92 Å²	92	51.8 Å²	51.8	47%	0.472	28%	0.275	S	S	.	.	H	α-helix	trans	-58.5	-42.8	174.4	-66.1	166.3	0	0	0	111.2	I50 L51 F57 C58	I50-I54 HydrophobicContact CG2-CD1 4.08Å; I50-I54 WeakPolarHBondContact O-CG1 3.37Å; I50-I54 PolarHBondContact O-N 3.07Å; L51-I54 PolarHBondContact O-N 3.05Å; I54-F57 PolarHBondContact O-N 2.96Å; I54-C58 WeakPolarHBondContact O-CB 3.47Å; I54-C58 PolarHBondContact O-N 3.21Å; I54-C58 PolarHBondContact O-SG 2.92Å
55	F	96.7	Very high	96.4	Very high	114 Å²	114	49.1 Å²	49.1	50%	0.5	27%	0.265	S	S	.	.	H	α-helix	trans	-66	-41.4	176.9	-80.5	-62.1	0	0	0	112.7	L51 S52 D53 G59 M507	L51-F55 WeakPolarHBondContact O-CD2 3.29Å; L51-F55 PolarHBondContact O-N 2.79Å; S52-F55 PolarHBondContact O-N 3.08Å; D53-F55 VanDerWaalsContact C-N 3.31Å; D53-F55 PolarHBondContact O-N 3.02Å; F55-G59 WeakPolarHBondContact O-CA 3.27Å; F55-G59 PolarHBondContact O-N 3.43Å; F55-M507 HydrophobicContact CB-CG 4.14Å; F55-M507 HydrophobicContact CB-SD 4.26Å
56	I	97.4	Very high	96.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-61.7	-48	176.4	-65.4	163.4	0	0	0	109.4	S52 D53 N60 A92 L96 M507	S52-I56 WeakPolarHBondContact O-CG1 3.44Å; S52-I56 PolarHBondContact O-N 2.63Å; D53-I56 PolarHBondContact O-N 2.79Å; I56-N60 WeakPolarHBondContact O-CB 3.29Å; I56-N60 PolarHBondContact O-N 2.98Å; I56-N60 PolarHBondContact O-ND2 3.46Å; I56-A92 HydrophobicContact CB-CB 4.19Å; I56-A92 HydrophobicContact CG2-CB 3.79Å; I56-L96 HydrophobicContact CD1-CD1 3.58Å; I56-M507 HydrophobicContact CD1-CB 4.29Å; I56-M507 HydrophobicContact CG1-CB 3.66Å; I56-M507 HydrophobicContact CG1-CG 4.27Å
57	F	98.1	Very high	96.8	Very high	85 Å²	85	44.8 Å²	44.8	37%	0.373	24%	0.244	S	C	.	.	H	α-helix	trans	-59.7	-58.6	178.1	178.2	-92.7	0	0	0	111.8	D53 I54 G59 L61 L89 A92 V93	D53-F57 WeakPolarHBondContact O-CB 2.9Å; D53-F57 PolarHBondContact O-N 3.47Å; I54-F57 PolarHBondContact O-N 2.96Å; F57-G59 PolarHBondContact O-N 3.11Å; F57-L61 HydrophobicContact CE1-CD2 4.16Å; F57-L61 HydrophobicContact CZ-CD2 4.39Å; F57-L61 VanDerWaalsContact O-CB 3.24Å; F57-L61 WeakPolarHBondContact O-CB 3.11Å; F57-L61 PolarHBondContact O-N 3.15Å; F57-L89 HydrophobicContact CD2-CD1 3.56Å; F57-L89 HydrophobicContact CE2-CD1 3.91Å; F57-L89 HydrophobicContact CG-CD1 4.14Å; F57-L89 WeakPolarHBondContact O-CD1 3.35Å; F57-A92 HydrophobicContact CB-CB 4.09Å; F57-V93 HydrophobicContact CD2-CG2 3.79Å; F57-V93 HydrophobicContact CE2-CG2 3.78Å
58	C	97.4	Very high	96.8	Very high	68 Å²	68	46.4 Å²	46.4	46%	0.459	25%	0.251	S	S	.	.	H	α-helix	trans	-64.5	-42.1	-175.7	-66	0	0	0	0	111.8	I54 L62	I54-C58 WeakPolarHBondContact O-CB 3.47Å; I54-C58 PolarHBondContact O-N 3.21Å; I54-C58 PolarHBondContact O-SG 2.92Å; C58-L62 VanDerWaalsContact O-CB 3.29Å; C58-L62 WeakPolarHBondContact O-CB 3.42Å; C58-L62 PolarHBondContact O-N 3.24Å
59	G	97.3	Very high	96.8	Very high	12 Å²	12	45.1 Å²	45.1	12%	0.124	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-46	-177.6	0	0	0	0	0	112.4	F55 F57 L62 V63 P510	F55-G59 WeakPolarHBondContact O-CA 3.27Å; F55-G59 PolarHBondContact O-N 3.43Å; F57-G59 PolarHBondContact O-N 3.11Å; G59-L62 WeakPolarHBondContact O-CB 3.39Å; G59-L62 PolarHBondContact O-N 3.42Å; G59-V63 WeakPolarHBondContact O-CG2 3.3Å; G59-V63 PolarHBondContact O-N 3.05Å; G59-P510 WeakPolarHBondContact O-CG 3.36Å
60	N	97.7	Very high	96.8	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-72.8	-34	179.1	-72.9	-68.8	0	0	0	112	I56 L62 V63 I64 A85 L89 S506	I56-N60 WeakPolarHBondContact O-CB 3.29Å; I56-N60 PolarHBondContact O-N 2.98Å; I56-N60 PolarHBondContact O-ND2 3.46Å; N60-L62 VanDerWaalsContact C-N 3.3Å; N60-L62 PolarHBondContact O-N 3.4Å; N60-V63 WeakPolarHBondContact O-CB 3.38Å; N60-V63 PolarHBondContact O-N 3.26Å; N60-I64 WeakPolarHBondContact O-CG1 3.34Å; N60-I64 PolarHBondContact O-N 2.81Å; N60-I64 VanDerWaalsContact O-N 3.09Å; N60-A85 HydrophobicContact CB-CB 4.29Å; N60-L89 HydrophobicContact CB-CB 4.25Å; N60-S506 PolarHBondContact ND2-O 3.05Å
61	L	97.9	Very high	96.6	Very high	72 Å²	72	49 Å²	49	38%	0.377	26%	0.263	S	S	.	.	H	α-helix	trans	-60.8	-39.5	169.4	-176.9	62.1	0	0	0	111.8	F57 I64 S65 L89	F57-L61 HydrophobicContact CE1-CD2 4.16Å; F57-L61 HydrophobicContact CZ-CD2 4.39Å; F57-L61 VanDerWaalsContact O-CB 3.24Å; F57-L61 WeakPolarHBondContact O-CB 3.11Å; F57-L61 PolarHBondContact O-N 3.15Å; L61-I64 PolarHBondContact O-N 3.07Å; L61-S65 VanDerWaalsContact O-CB 3.28Å; L61-S65 WeakPolarHBondContact O-CB 3.5Å; L61-S65 PolarHBondContact O-N 3.41Å; L61-S65 PolarHBondContact O-OG 2.97Å; L61-L89 HydrophobicContact CB-CD1 4.31Å
62	L	97.4	Very high	96.3	Very high	33 Å²	33	46.2 Å²	46.2	17%	0.173	26%	0.256	C	S	.	.	H	α-helix	trans	-65.8	-39.7	176.1	-174	67.3	0	0	0	111.9	C58 G59 N60 S65 A66 F524 L527 L528	C58-L62 VanDerWaalsContact O-CB 3.29Å; C58-L62 WeakPolarHBondContact O-CB 3.42Å; C58-L62 PolarHBondContact O-N 3.24Å; G59-L62 WeakPolarHBondContact O-CB 3.39Å; G59-L62 PolarHBondContact O-N 3.42Å; N60-L62 VanDerWaalsContact C-N 3.3Å; N60-L62 PolarHBondContact O-N 3.4Å; L62-S65 PolarHBondContact O-N 3.4Å; L62-A66 VanDerWaalsContact O-CB 3.3Å; L62-A66 WeakPolarHBondContact O-CB 3.26Å; L62-A66 PolarHBondContact O-N 3.21Å; L62-F524 HydrophobicContact CB-CE1 4.5Å; L62-F524 HydrophobicContact CD1-CD1 4.21Å; L62-F524 HydrophobicContact CD2-CB 4.05Å; L62-F524 HydrophobicContact CD2-CD1 3.79Å; L62-F524 HydrophobicContact CD2-CD2 3.97Å; L62-F524 HydrophobicContact CD2-CE1 4.16Å; L62-F524 HydrophobicContact CD2-CE2 4.33Å; L62-F524 HydrophobicContact CD2-CG 3.68Å; L62-F524 HydrophobicContact CD2-CZ 4.41Å; L62-F524 HydrophobicContact CG-CD1 3.57Å; L62-F524 HydrophobicContact CG-CE1 3.75Å; L62-F524 HydrophobicContact CG-CG 4.02Å; L62-F524 HydrophobicContact CG-CZ 4.35Å; L62-L527 HydrophobicContact CD1-CB 3.88Å; L62-L527 HydrophobicContact CD1-CD1 3.83Å; L62-L528 HydrophobicContact CD1-CD2 4.25Å; L62-L528 HydrophobicContact CD1-CG 4.27Å; L62-L528 HydrophobicContact CD2-CD1 4.01Å; L62-L528 HydrophobicContact CD2-CG 4.35Å
63	V	97.4	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58	-50.1	173.4	172.4	0	0	0	0	110.8	G59 N60 A66 V67 I81 A85 P510 Y513 Y520 F524	G59-V63 WeakPolarHBondContact O-CG2 3.3Å; G59-V63 PolarHBondContact O-N 3.05Å; N60-V63 WeakPolarHBondContact O-CB 3.38Å; N60-V63 PolarHBondContact O-N 3.26Å; V63-A66 PolarHBondContact O-N 2.71Å; V63-V67 PolarHBondContact O-N 3.47Å; V63-I81 HydrophobicContact CG1-CG2 3.79Å; V63-A85 HydrophobicContact CB-CB 4.09Å; V63-A85 HydrophobicContact CG1-CB 3.79Å; V63-P510 HydrophobicContact CG2-CB 4.2Å; V63-P510 HydrophobicContact CG2-CG 4.12Å; V63-Y513 HydrophobicContact CG1-CD2 4.42Å; V63-Y513 HydrophobicContact CG1-CE2 4.48Å; V63-Y513 HydrophobicContact CG2-CD2 3.87Å; V63-Y513 HydrophobicContact CG2-CE2 4.45Å; V63-Y520 HydrophobicContact CG1-CE1 4.22Å; V63-F524 HydrophobicContact CG2-CZ 3.83Å
64	I	97.9	Very high	95.9	Very high	30 Å²	30	49.7 Å²	49.7	15%	0.154	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-48.9	178.5	-63.6	168.9	0	0	0	110	N60 L61 A66 V67 V68 V82 A85 L86 L89	N60-I64 WeakPolarHBondContact O-CG1 3.34Å; N60-I64 PolarHBondContact O-N 2.81Å; N60-I64 VanDerWaalsContact O-N 3.09Å; L61-I64 PolarHBondContact O-N 3.07Å; I64-A66 VanDerWaalsContact C-N 3.31Å; I64-A66 PolarHBondContact O-N 3.34Å; I64-V67 PolarHBondContact O-N 2.9Å; I64-V68 HydrophobicContact CG2-CG2 4.31Å; I64-V68 WeakPolarHBondContact O-CG2 3.29Å; I64-V68 PolarHBondContact O-N 3.25Å; I64-V82 HydrophobicContact CG1-CG1 4.43Å; I64-A85 HydrophobicContact CD1-CB 4.35Å; I64-A85 HydrophobicContact CG1-CB 3.9Å; I64-L86 HydrophobicContact CD1-CB 4.49Å; I64-L89 HydrophobicContact CD1-CD2 4.02Å
65	S	97.2	Very high	95.6	Very high	41 Å²	41	47.7 Å²	47.7	29%	0.287	25%	0.25	S	S	.	.	H	α-helix	trans	-59.9	-38.6	179.8	-61.9	0	0	0	0	112.4	L61 L62 V67 V68 T69	L61-S65 VanDerWaalsContact O-CB 3.28Å; L61-S65 WeakPolarHBondContact O-CB 3.5Å; L61-S65 PolarHBondContact O-N 3.41Å; L61-S65 PolarHBondContact O-OG 2.97Å; L62-S65 PolarHBondContact O-N 3.4Å; S65-V67 PolarHBondContact O-N 2.98Å; S65-V68 PolarHBondContact O-N 2.93Å; S65-T69 WeakPolarHBondContact O-CB 3.21Å; S65-T69 VanDerWaalsContact O-CG2 3.3Å; S65-T69 WeakPolarHBondContact O-CG2 3.19Å; S65-T69 PolarHBondContact O-N 3.45Å; S65-T69 PolarHBondContact O-OG1 3.22Å
66	A	96.9	Very high	95.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.1	-43.3	177.2	0	0	0	0	0	112.2	L62 V63 I64 T69 T70 L73 Y520 A523 F524 L527	L62-A66 VanDerWaalsContact O-CB 3.3Å; L62-A66 WeakPolarHBondContact O-CB 3.26Å; L62-A66 PolarHBondContact O-N 3.21Å; V63-A66 PolarHBondContact O-N 2.71Å; I64-A66 VanDerWaalsContact C-N 3.31Å; I64-A66 PolarHBondContact O-N 3.34Å; A66-T69 PolarHBondContact O-OG1 2.98Å; A66-T70 WeakPolarHBondContact O-CB 3.48Å; A66-T70 PolarHBondContact O-N 2.89Å; A66-T70 PolarHBondContact O-OG1 3.13Å; A66-L73 HydrophobicContact CB-CD1 4.16Å; A66-Y520 HydrophobicContact CB-CD1 4.38Å; A66-A523 HydrophobicContact CB-CB 3.75Å; A66-F524 HydrophobicContact CB-CD1 3.78Å; A66-F524 HydrophobicContact CB-CE1 3.55Å; A66-L527 HydrophobicContact CB-CD1 4.06Å
67	V	96.5	Very high	95	Very high	9 Å²	9	43.9 Å²	43.9	6%	0.055	24%	0.235	C	C	.	.	H	α-helix	trans	-68.9	-43.5	177.2	176.1	0	0	0	0	110.9	V63 I64 S65 T69 L73 R74 D78 V82 Y520	V63-V67 PolarHBondContact O-N 3.47Å; I64-V67 PolarHBondContact O-N 2.9Å; S65-V67 PolarHBondContact O-N 2.98Å; V67-T69 PolarHBondContact O-N 3.33Å; V67-L73 WeakPolarHBondContact CG1-O 3.5Å; V67-L73 HydrophobicContact CG2-CB 4.34Å; V67-R74 WeakPolarHBondContact O-CG 2.94Å; V67-D78 HydrophobicContact CG1-CB 4.37Å; V67-D78 HydrophobicContact CG2-CB 4.3Å; V67-V82 HydrophobicContact CB-CG2 3.66Å; V67-V82 HydrophobicContact CG1-CG2 3.63Å; V67-V82 HydrophobicContact CG2-CG2 3.75Å; V67-Y520 HydrophobicContact CG2-CE1 3.83Å; V67-Y520 WeakPolarHBondContact CG2-OH 3.45Å
68	V	95.9	Very high	94.8	Very high	91 Å²	91	39.9 Å²	39.9	55%	0.552	22%	0.218	S	C	*	.	H	α-helix	trans	-62.7	-42.4	178.6	172.9	0	0	0	0	110.9	I64 S65 R74	I64-V68 HydrophobicContact CG2-CG2 4.31Å; I64-V68 WeakPolarHBondContact O-CG2 3.29Å; I64-V68 PolarHBondContact O-N 3.25Å; S65-V68 PolarHBondContact O-N 2.93Å; V68-R74 PolarHBondContact O-NE 2.9Å; V68-R74 PolarHBondContact O-NH2 3.09Å
69	T	94.9	Very high	94.7	Very high	74 Å²	74	38.6 Å²	38.6	45%	0.454	21%	0.206	S	C	.	.	H	α-helix	trans	-85.7	-30.1	-174.9	57.3	0	0	0	0	113.9	S65 A66 V67 L527	S65-T69 WeakPolarHBondContact O-CB 3.21Å; S65-T69 VanDerWaalsContact O-CG2 3.3Å; S65-T69 WeakPolarHBondContact O-CG2 3.19Å; S65-T69 PolarHBondContact O-N 3.45Å; S65-T69 PolarHBondContact O-OG1 3.22Å; A66-T69 PolarHBondContact O-OG1 2.98Å; V67-T69 PolarHBondContact O-N 3.33Å; T69-L527 HydrophobicContact CG2-CD2 3.98Å
70	T	94.4	Very high	94.6	Very high	17 Å²	17	38.2 Å²	38.2	10%	0.104	20%	0.201	C	C	.	.			trans	-99.2	108.9	-173	-59.4	0	0	0	0	112.5	A66 G72 L73 A523 R526	A66-T70 WeakPolarHBondContact O-CB 3.48Å; A66-T70 PolarHBondContact O-N 2.89Å; A66-T70 PolarHBondContact O-OG1 3.13Å; T70-G72 PolarHBondContact O-N 3.35Å; T70-G72 VanDerWaalsContact O-N 3.11Å; T70-L73 HydrophobicContact CG2-CB 4.29Å; T70-L73 HydrophobicContact CG2-CD1 4.16Å; T70-L73 HydrophobicContact CG2-CG 3.92Å; T70-L73 PolarHBondContact O-N 3.49Å; T70-A523 WeakPolarHBondContact OG1-CB 3.41Å; T70-R526 PolarHBondContact OG1-NH2 3.07Å
71	K	92	Very high	94.5	Very high	150 Å²	150	38.7 Å²	38.7	65%	0.652	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-49.7	-41.4	177.6	-67.5	-175.5	-179.7	-179.9	0	113.7	L73 R74	K71-L73 PolarHBondContact O-N 3.42Å; K71-R74 PolarHBondContact O-N 3.31Å; K71-R74 VanDerWaalsContact O-N 3.15Å
72	G	89.7	Confident	94.5	Very high	32 Å²	32	36.9 Å²	36.9	33%	0.33	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-70	-8.3	-179.9	0	0	0	0	0	115.8	T70	T70-G72 PolarHBondContact O-N 3.35Å; T70-G72 VanDerWaalsContact O-N 3.11Å
73	L	91.4	Very high	94.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-105.9	-0.4	174.4	-68.2	179.9	0	0	0	112.5	A66 V67 T70 K71 R75 D78 K519 Y520 A523	A66-L73 HydrophobicContact CB-CD1 4.16Å; V67-L73 WeakPolarHBondContact CG1-O 3.5Å; V67-L73 HydrophobicContact CG2-CB 4.34Å; T70-L73 HydrophobicContact CG2-CB 4.29Å; T70-L73 HydrophobicContact CG2-CD1 4.16Å; T70-L73 HydrophobicContact CG2-CG 3.92Å; T70-L73 PolarHBondContact O-N 3.49Å; K71-L73 PolarHBondContact O-N 3.42Å; L73-R75 PolarHBondContact O-N 3.49Å; L73-D78 WeakPolarHBondContact O-CB 3.37Å; L73-K519 HydrophobicContact CD2-CB 3.58Å; L73-K519 HydrophobicContact CD2-CD 4.35Å; L73-K519 HydrophobicContact CG-CB 4.45Å; L73-Y520 HydrophobicContact CD1-CD1 4.15Å; L73-Y520 HydrophobicContact CD1-CD2 4.29Å; L73-Y520 HydrophobicContact CD1-CE1 4.26Å; L73-Y520 HydrophobicContact CD1-CE2 4.43Å; L73-Y520 HydrophobicContact CD1-CG 4.18Å; L73-Y520 HydrophobicContact CD2-CD2 3.68Å; L73-Y520 HydrophobicContact CD2-CE2 3.56Å; L73-Y520 HydrophobicContact CD2-CG 4.38Å; L73-A523 HydrophobicContact CD1-CB 3.71Å
74	R	92.2	Very high	94.5	Very high	121 Å²	121	35.8 Å²	35.8	46%	0.457	19%	0.19	S	C	.	.			trans	-84.8	39.3	178.8	-62	-178.6	-168.5	168.6	3.4	112.7	V67 V68 K71	V67-R74 WeakPolarHBondContact O-CG 2.94Å; V68-R74 PolarHBondContact O-NE 2.9Å; V68-R74 PolarHBondContact O-NH2 3.09Å; K71-R74 PolarHBondContact O-N 3.31Å; K71-R74 VanDerWaalsContact O-N 3.15Å
75	R	90.7	Very high	94.5	Very high	51 Å²	51	34.5 Å²	34.5	19%	0.192	18%	0.184	C	C	.	.	S	Bend	trans	-87.6	162.5	179.2	-53.7	167.5	-68	173	-1.9	110.1	L73 T77 D78 L79	L73-R75 PolarHBondContact O-N 3.49Å; R75-T77 PolarHBondContact O-N 3.17Å; R75-D78 VanDerWaalsContact CB-OD2 3.26Å; R75-D78 WeakPolarHBondContact CB-OD2 3.43Å; R75-D78 IonicContact CZ-OD2 3.94Å; R75-D78 VanDerWaalsContact CZ-OD2 3.29Å; R75-D78 PolarHBondContact N-OD2 3.13Å; R75-D78 IonicContact NE-OD2 2.79Å; R75-D78 PolarHBondContact NE-OD2 2.76Å; R75-D78 IonicContact NH2-OD1 3.93Å; R75-D78 PolarHBondContact NH2-OD1 2.91Å; R75-D78 VanDerWaalsContact NH2-OD1 3.09Å; R75-D78 IonicContact NH2-OD2 3.53Å; R75-D78 PolarHBondContact NH2-OD2 3.46Å; R75-D78 WeakPolarHBondContact O-CB 3.41Å; R75-D78 PolarHBondContact O-N 3.02Å; R75-L79 PolarHBondContact O-N 3.27Å
76	I	91.8	Very high	94.5	Very high	24 Å²	24	35.9 Å²	35.9	12%	0.123	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-36.8	-178.5	-63.2	169.5	0	0	0	111.6	D78 L79 R155 R157 A160	I76-D78 VanDerWaalsContact C-N 3.29Å; I76-D78 PolarHBondContact O-N 3.01Å; I76-L79 WeakPolarHBondContact O-CB 3.37Å; I76-L79 PolarHBondContact O-N 2.94Å; I76-R155 HydrophobicContact CB-CG 4.11Å; I76-R155 HydrophobicContact CD1-CG 3.69Å; I76-R155 HydrophobicContact CG1-CG 4.49Å; I76-R155 HydrophobicContact CG2-CG 3.8Å; I76-R157 HydrophobicContact CD1-CG 4.33Å; I76-R157 HydrophobicContact CG1-CG 3.94Å; I76-A160 HydrophobicContact CG2-CB 3.66Å
77	T	90.4	Very high	94.6	Very high	10 Å²	10	35.9 Å²	35.9	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-35.3	177.1	53.1	0	0	0	0	112.8	R75 L79 Y80 Y151	R75-T77 PolarHBondContact O-N 3.17Å; T77-L79 VanDerWaalsContact C-N 3.26Å; T77-L79 PolarHBondContact O-N 2.71Å; T77-Y80 PolarHBondContact O-N 2.86Å; T77-Y151 WeakPolarHBondContact CG2-OH 3.33Å
78	D	93.5	Very high	94.6	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.011	19%	0.185	C	C	.	.	H	α-helix	trans	-74.7	-19	-178.9	-59.2	-62.9	0	0	0	111.1	V67 L73 R75 I76 Y80 I81 V82 Y520	V67-D78 HydrophobicContact CG1-CB 4.37Å; V67-D78 HydrophobicContact CG2-CB 4.3Å; L73-D78 WeakPolarHBondContact O-CB 3.37Å; R75-D78 VanDerWaalsContact CB-OD2 3.26Å; R75-D78 WeakPolarHBondContact CB-OD2 3.43Å; R75-D78 IonicContact CZ-OD2 3.94Å; R75-D78 VanDerWaalsContact CZ-OD2 3.29Å; R75-D78 PolarHBondContact N-OD2 3.13Å; R75-D78 IonicContact NE-OD2 2.79Å; R75-D78 PolarHBondContact NE-OD2 2.76Å; R75-D78 IonicContact NH2-OD1 3.93Å; R75-D78 PolarHBondContact NH2-OD1 2.91Å; R75-D78 VanDerWaalsContact NH2-OD1 3.09Å; R75-D78 IonicContact NH2-OD2 3.53Å; R75-D78 PolarHBondContact NH2-OD2 3.46Å; R75-D78 WeakPolarHBondContact O-CB 3.41Å; R75-D78 PolarHBondContact O-N 3.02Å; I76-D78 VanDerWaalsContact C-N 3.29Å; I76-D78 PolarHBondContact O-N 3.01Å; D78-Y80 VanDerWaalsContact C-N 3.34Å; D78-Y80 PolarHBondContact O-N 3.38Å; D78-I81 PolarHBondContact O-N 3.34Å; D78-V82 WeakPolarHBondContact O-CG2 3.41Å; D78-V82 PolarHBondContact O-N 2.95Å; D78-Y520 WeakPolarHBondContact OD1-CE2 3.22Å; D78-Y520 PolarHBondContact OD1-OH 3.42Å
79	L	95.4	Very high	94.7	Very high	40 Å²	40	32.2 Å²	32.2	21%	0.209	16%	0.164	C	C	.	.	H	α-helix	trans	-63.8	-37.5	172.7	-63	177	0	0	0	112.3	R75 I76 T77 I81 V82 S83 R157 A160 F161 I164	R75-L79 PolarHBondContact O-N 3.27Å; I76-L79 WeakPolarHBondContact O-CB 3.37Å; I76-L79 PolarHBondContact O-N 2.94Å; T77-L79 VanDerWaalsContact C-N 3.26Å; T77-L79 PolarHBondContact O-N 2.71Å; L79-I81 VanDerWaalsContact C-N 3.33Å; L79-V82 PolarHBondContact O-N 3.2Å; L79-S83 PolarHBondContact O-N 2.95Å; L79-R157 HydrophobicContact CD1-CG 4.4Å; L79-A160 HydrophobicContact CD1-CB 4.45Å; L79-F161 HydrophobicContact CD1-CZ 4.4Å; L79-I164 HydrophobicContact CB-CD1 4.2Å
80	Y	96	Very high	94.8	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-67.7	-36.6	175.4	-60.8	-77.2	0	0	0	111.7	T77 D78 S83 L84 C136 I137 D140 A160 M163 I164	T77-Y80 PolarHBondContact O-N 2.86Å; D78-Y80 VanDerWaalsContact C-N 3.34Å; D78-Y80 PolarHBondContact O-N 3.38Å; Y80-S83 PolarHBondContact O-N 2.87Å; Y80-L84 PolarHBondContact O-N 3.18Å; Y80-C136 HydrophobicContact CD1-CB 3.93Å; Y80-C136 HydrophobicContact CE1-CB 4.02Å; Y80-I137 HydrophobicContact CG-CG1 4.37Å; Y80-D140 HydrophobicContact CD2-CB 4.46Å; Y80-D140 HydrophobicContact CE2-CB 3.96Å; Y80-A160 HydrophobicContact CE1-CB 4.37Å; Y80-A160 HydrophobicContact CE2-CB 4.09Å; Y80-A160 WeakPolarHBondContact OH-CA 3.49Å; Y80-M163 HydrophobicContact CE1-CB 3.95Å; Y80-M163 HydrophobicContact CE1-CE 4.21Å; Y80-M163 HydrophobicContact CE1-SD 4.33Å; Y80-M163 PolarHBondContact OH-SD 3.13Å; Y80-I164 HydrophobicContact CD1-CD1 4Å; Y80-I164 HydrophobicContact CD1-CG1 3.7Å; Y80-I164 HydrophobicContact CE1-CD1 4.39Å; Y80-I164 HydrophobicContact CE1-CG1 4Å
81	I	95.7	Very high	94.9	Very high	12 Å²	12	30.5 Å²	30.5	6%	0.062	15%	0.151	C	C	.	.	H	α-helix	trans	-64.5	-42.7	174.9	-64.5	173.3	0	0	0	110.5	V63 D78 L79 S83 L84 A85 Y513 Y520	V63-I81 HydrophobicContact CG1-CG2 3.79Å; D78-I81 PolarHBondContact O-N 3.34Å; L79-I81 VanDerWaalsContact C-N 3.33Å; I81-S83 VanDerWaalsContact C-N 3.34Å; I81-S83 PolarHBondContact O-N 3.38Å; I81-L84 PolarHBondContact O-N 3.03Å; I81-A85 WeakPolarHBondContact O-CB 3.18Å; I81-A85 PolarHBondContact O-N 3.09Å; I81-Y513 HydrophobicContact CD1-CE1 3.91Å; I81-Y513 HydrophobicContact CG1-CE1 4.34Å; I81-Y513 HydrophobicContact CG2-CE1 4.1Å; I81-Y513 HydrophobicContact CG2-CE2 3.82Å; I81-Y520 HydrophobicContact CD1-CE2 4.4Å
82	V	97.2	Very high	95.2	Very high	34 Å²	34	23.5 Å²	23.5	21%	0.206	12%	0.122	C	C	.	.	H	α-helix	trans	-61.6	-42.2	174.7	170.4	0	0	0	0	111.4	I64 V67 D78 L79 A85 L86	I64-V82 HydrophobicContact CG1-CG1 4.43Å; V67-V82 HydrophobicContact CB-CG2 3.66Å; V67-V82 HydrophobicContact CG1-CG2 3.63Å; V67-V82 HydrophobicContact CG2-CG2 3.75Å; D78-V82 WeakPolarHBondContact O-CG2 3.41Å; D78-V82 PolarHBondContact O-N 2.95Å; L79-V82 PolarHBondContact O-N 3.2Å; V82-A85 PolarHBondContact O-N 2.93Å; V82-L86 WeakPolarHBondContact O-CB 3.3Å; V82-L86 PolarHBondContact O-N 3.49Å
83	S	97.8	Very high	95.6	Very high	9 Å²	9	25.4 Å²	25.4	6%	0.063	13%	0.127	C	C	.	.	H	α-helix	trans	-63.2	-41.6	177.5	-175.5	0	0	0	0	112.2	L79 Y80 I81 L86 A87 N133 I164 W168	L79-S83 PolarHBondContact O-N 2.95Å; Y80-S83 PolarHBondContact O-N 2.87Å; I81-S83 VanDerWaalsContact C-N 3.34Å; I81-S83 PolarHBondContact O-N 3.38Å; S83-L86 PolarHBondContact O-N 3.33Å; S83-A87 PolarHBondContact O-N 3.48Å; S83-A87 VanDerWaalsContact O-N 3.15Å; S83-N133 WeakPolarHBondContact CB-OD1 3.43Å; S83-N133 PolarHBondContact OG-ND2 3.48Å; S83-N133 PolarHBondContact OG-OD1 3.29Å; S83-I164 VanDerWaalsContact OG-CG2 3.29Å; S83-I164 WeakPolarHBondContact OG-CG2 3.36Å; S83-W168 PolarHBondContact OG-NE1 3.44Å
84	L	97	Very high	95.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-62.9	-48.4	173.4	-179.5	62.7	0	0	0	111.7	Y80 I81 L86 A87 D88 N133 L134 I137 V465	Y80-L84 PolarHBondContact O-N 3.18Å; I81-L84 PolarHBondContact O-N 3.03Å; L84-L86 PolarHBondContact O-N 3.41Å; L84-A87 PolarHBondContact O-N 3.42Å; L84-A87 VanDerWaalsContact O-N 3.11Å; L84-D88 PolarHBondContact O-N 2.74Å; L84-N133 HydrophobicContact CB-CB 4.22Å; L84-N133 HydrophobicContact CD1-CB 4.18Å; L84-L134 HydrophobicContact CD1-CG 4.26Å; L84-L134 HydrophobicContact CD2-CD2 3.77Å; L84-L134 HydrophobicContact CD2-CG 4.34Å; L84-I137 HydrophobicContact CB-CD1 4.48Å; L84-I137 HydrophobicContact CD2-CD1 4.02Å; L84-V465 HydrophobicContact CD2-CG1 4.41Å
85	A	97.8	Very high	95.9	Very high	2 Å²	2	22.7 Å²	22.7	2%	0.017	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-32.2	177.9	0	0	0	0	0	112.4	N60 V63 I64 I81 V82 L89	N60-A85 HydrophobicContact CB-CB 4.29Å; V63-A85 HydrophobicContact CB-CB 4.09Å; V63-A85 HydrophobicContact CG1-CB 3.79Å; I64-A85 HydrophobicContact CD1-CB 4.35Å; I64-A85 HydrophobicContact CG1-CB 3.9Å; I81-A85 WeakPolarHBondContact O-CB 3.18Å; I81-A85 PolarHBondContact O-N 3.09Å; V82-A85 PolarHBondContact O-N 2.93Å; A85-L89 WeakPolarHBondContact O-CB 3.34Å; A85-L89 PolarHBondContact O-N 3.01Å
86	L	98.1	Very high	96.2	Very high	71 Å²	71	20.2 Å²	20.2	37%	0.372	11%	0.112	S	C	.	.	H	α-helix	trans	-67.2	-42.7	173.8	179.9	62.8	0	0	0	111.7	I64 V82 S83 L84 L89 L90 W168	I64-L86 HydrophobicContact CD1-CB 4.49Å; V82-L86 WeakPolarHBondContact O-CB 3.3Å; V82-L86 PolarHBondContact O-N 3.49Å; S83-L86 PolarHBondContact O-N 3.33Å; L84-L86 PolarHBondContact O-N 3.41Å; L86-L89 PolarHBondContact O-N 2.95Å; L86-L90 HydrophobicContact CD1-CG 4.41Å; L86-L90 HydrophobicContact CG-CD1 4.35Å; L86-L90 VanDerWaalsContact O-CG 3.29Å; L86-L90 WeakPolarHBondContact O-CG 3.11Å; L86-L90 PolarHBondContact O-N 3.25Å; L86-W168 HydrophobicContact CD2-CZ2 4.23Å; L86-W168 HydrophobicContact CG-CZ2 4.35Å
87	A	97.7	Very high	96.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.6	-46.9	175.4	0	0	0	0	0	111.3	S83 L84 L89 L90 V91 A129 S130 W168	S83-A87 PolarHBondContact O-N 3.48Å; S83-A87 VanDerWaalsContact O-N 3.15Å; L84-A87 PolarHBondContact O-N 3.42Å; L84-A87 VanDerWaalsContact O-N 3.11Å; A87-L89 PolarHBondContact O-N 3.39Å; A87-L90 PolarHBondContact O-N 2.78Å; A87-V91 WeakPolarHBondContact O-CG2 3.25Å; A87-V91 PolarHBondContact O-N 3.43Å; A87-A129 HydrophobicContact CB-CB 4.22Å; A87-S130 WeakPolarHBondContact CB-OG 3.39Å; A87-W168 HydrophobicContact CB-CH2 3.9Å; A87-W168 HydrophobicContact CB-CZ2 4.13Å
88	D	97.2	Very high	96.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.8	-38	177.3	-69.8	-27.2	0	0	0	112.6	L84 V91 A92 S130 S506 N509	L84-D88 PolarHBondContact O-N 2.74Å; D88-V91 WeakPolarHBondContact O-CB 3.21Å; D88-V91 PolarHBondContact O-N 3.36Å; D88-A92 PolarHBondContact O-N 3.47Å; D88-S130 PolarHBondContact OD1-OG 3.45Å; D88-S130 VanDerWaalsContact OD1-OG 3.11Å; D88-S506 WeakPolarHBondContact OD1-CB 3.39Å; D88-S506 PolarHBondContact OD1-OG 3.48Å; D88-N509 PolarHBondContact OD2-ND2 2.88Å
89	L	97.6	Very high	96.4	Very high	23 Å²	23	22.6 Å²	22.6	12%	0.12	13%	0.127	C	C	.	.	H	α-helix	trans	-64.3	-41.4	174.3	-176.9	70	0	0	0	111.6	F57 N60 L61 I64 A85 L86 A87 V91 A92 V93	F57-L89 HydrophobicContact CD2-CD1 3.56Å; F57-L89 HydrophobicContact CE2-CD1 3.91Å; F57-L89 HydrophobicContact CG-CD1 4.14Å; F57-L89 WeakPolarHBondContact O-CD1 3.35Å; N60-L89 HydrophobicContact CB-CB 4.25Å; L61-L89 HydrophobicContact CB-CD1 4.31Å; I64-L89 HydrophobicContact CD1-CD2 4.02Å; A85-L89 WeakPolarHBondContact O-CB 3.34Å; A85-L89 PolarHBondContact O-N 3.01Å; L86-L89 PolarHBondContact O-N 2.95Å; A87-L89 PolarHBondContact O-N 3.39Å; L89-V91 VanDerWaalsContact C-N 3.3Å; L89-V91 PolarHBondContact O-N 3.16Å; L89-A92 PolarHBondContact O-N 3Å; L89-V93 WeakPolarHBondContact O-CG2 3.33Å; L89-V93 PolarHBondContact O-N 3.01Å
90	L	97.7	Very high	96.3	Very high	52 Å²	52	21.2 Å²	21.2	27%	0.272	12%	0.12	S	C	.	.	H	α-helix	trans	-66.8	-31.6	177.2	-71.3	173.6	0	0	0	112.2	L86 A87 V93 L94 L126 W168	L86-L90 HydrophobicContact CD1-CG 4.41Å; L86-L90 HydrophobicContact CG-CD1 4.35Å; L86-L90 VanDerWaalsContact O-CG 3.29Å; L86-L90 WeakPolarHBondContact O-CG 3.11Å; L86-L90 PolarHBondContact O-N 3.25Å; A87-L90 PolarHBondContact O-N 2.78Å; L90-V93 PolarHBondContact O-N 2.66Å; L90-L94 HydrophobicContact CB-CD1 4.48Å; L90-L94 HydrophobicContact CD2-CD1 4.09Å; L90-L94 WeakPolarHBondContact O-CB 3.42Å; L90-L94 PolarHBondContact O-N 3.41Å; L90-L126 HydrophobicContact CB-CD1 3.89Å; L90-L126 HydrophobicContact CB-CD2 3.7Å; L90-L126 HydrophobicContact CB-CG 4.46Å; L90-L126 HydrophobicContact CD1-CD2 3.91Å; L90-L126 HydrophobicContact CG-CD2 4.48Å; L90-W168 HydrophobicContact CD1-CH2 3.99Å; L90-W168 HydrophobicContact CD1-CZ3 4.33Å
91	V	96.9	Very high	96.1	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-47	171.7	170.4	0	0	0	0	110.4	A87 D88 L89 V93 V95 L96 L126 Y503	A87-V91 WeakPolarHBondContact O-CG2 3.25Å; A87-V91 PolarHBondContact O-N 3.43Å; D88-V91 WeakPolarHBondContact O-CB 3.21Å; D88-V91 PolarHBondContact O-N 3.36Å; L89-V91 VanDerWaalsContact C-N 3.3Å; L89-V91 PolarHBondContact O-N 3.16Å; V91-V93 VanDerWaalsContact C-N 3.31Å; V91-V93 PolarHBondContact O-N 3.45Å; V91-V95 HydrophobicContact CG1-CB 4.25Å; V91-V95 WeakPolarHBondContact O-CA 3.42Å; V91-V95 WeakPolarHBondContact O-CB 3.28Å; V91-V95 PolarHBondContact O-N 2.79Å; V91-L96 HydrophobicContact CG1-CD1 4.33Å; V91-L96 HydrophobicContact CG1-CD2 4.24Å; V91-L96 HydrophobicContact CG1-CG 3.96Å; V91-L96 PolarHBondContact O-N 2.9Å; V91-L126 HydrophobicContact CG2-CB 3.62Å; V91-L126 HydrophobicContact CG2-CD1 4.08Å; V91-L126 HydrophobicContact CG2-CG 4.47Å; V91-Y503 HydrophobicContact CG1-CD1 4.14Å; V91-Y503 HydrophobicContact CG1-CE1 4.25Å
92	A	97.3	Very high	95.8	Very high	4 Å²	4	24.1 Å²	24.1	3%	0.033	13%	0.134	C	C	.	.	H	α-helix	trans	-63.2	-34.2	177	0	0	0	0	0	113.4	D53 I56 F57 D88 L89 L96 P97	D53-A92 VanDerWaalsContact OD1-CA 3.25Å; D53-A92 WeakPolarHBondContact OD1-CA 3.37Å; D53-A92 VanDerWaalsContact OD1-CB 3.27Å; D53-A92 WeakPolarHBondContact OD1-CB 3.4Å; I56-A92 HydrophobicContact CB-CB 4.19Å; I56-A92 HydrophobicContact CG2-CB 3.79Å; F57-A92 HydrophobicContact CB-CB 4.09Å; D88-A92 PolarHBondContact O-N 3.47Å; L89-A92 PolarHBondContact O-N 3Å; A92-L96 HydrophobicContact CB-CD1 4.49Å; A92-P97 WeakPolarHBondContact O-CD 3.49Å; A92-P97 WeakPolarHBondContact O-CG 3.41Å
93	V	97.4	Very high	95.4	Very high	72 Å²	72	24.2 Å²	24.2	44%	0.436	13%	0.132	S	C	.	.	H	α-helix	trans	-81.7	-39.3	-179.1	176	0	0	0	0	112.5	F57 L89 L90 V91	F57-V93 HydrophobicContact CD2-CG2 3.79Å; F57-V93 HydrophobicContact CE2-CG2 3.78Å; L89-V93 WeakPolarHBondContact O-CG2 3.33Å; L89-V93 PolarHBondContact O-N 3.01Å; L90-V93 PolarHBondContact O-N 2.66Å; V91-V93 VanDerWaalsContact C-N 3.31Å; V91-V93 PolarHBondContact O-N 3.45Å
94	L	95.9	Very high	95	Very high	63 Å²	63	27.2 Å²	27.2	33%	0.33	15%	0.15	S	C	.	.	H	α-helix	trans	-112.6	-23.1	-165	-54.8	172.3	0	0	0	114.5	L90 L122	L90-L94 HydrophobicContact CB-CD1 4.48Å; L90-L94 HydrophobicContact CD2-CD1 4.09Å; L90-L94 WeakPolarHBondContact O-CB 3.42Å; L90-L94 PolarHBondContact O-N 3.41Å; L94-L122 HydrophobicContact CB-CD2 3.34Å; L94-L122 HydrophobicContact CD1-CD1 4.49Å; L94-L122 HydrophobicContact CD1-CD2 3.85Å; L94-L122 HydrophobicContact CG-CD2 4.17Å
95	V	95.4	Very high	94.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-50.5	-173.2	178.5	0	0	0	0	111.3	V91 S99 W119 L122 N123 L126	V91-V95 HydrophobicContact CG1-CB 4.25Å; V91-V95 WeakPolarHBondContact O-CA 3.42Å; V91-V95 WeakPolarHBondContact O-CB 3.28Å; V91-V95 PolarHBondContact O-N 2.79Å; V95-S99 PolarHBondContact O-N 3.28Å; V95-W119 PolarHBondContact O-NE1 3.4Å; V95-L122 HydrophobicContact CG2-CD2 4.31Å; V95-L122 HydrophobicContact CG2-CG 4.38Å; V95-N123 HydrophobicContact CG1-CB 3.9Å; V95-N123 HydrophobicContact CG2-CB 4.3Å; V95-L126 HydrophobicContact CG2-CD1 3.83Å
96	L	95.4	Very high	94.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-42.6	-173.2	-63.4	-176	0	0	0	113.8	D53 I56 V91 A92 L98 S99 I100 W500 Y503	D53-L96 HydrophobicContact CB-CB 4.41Å; D53-L96 HydrophobicContact CB-CD1 4.23Å; D53-L96 WeakPolarHBondContact OD1-CB 3.43Å; D53-L96 WeakPolarHBondContact OD1-CD1 3.3Å; I56-L96 HydrophobicContact CD1-CD1 3.58Å; V91-L96 HydrophobicContact CG1-CD1 4.33Å; V91-L96 HydrophobicContact CG1-CD2 4.24Å; V91-L96 HydrophobicContact CG1-CG 3.96Å; V91-L96 PolarHBondContact O-N 2.9Å; A92-L96 HydrophobicContact CB-CD1 4.49Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-L98 PolarHBondContact O-N 3.35Å; L96-S99 WeakPolarHBondContact O-CB 3.24Å; L96-S99 PolarHBondContact O-N 2.85Å; L96-S99 VanDerWaalsContact O-N 3.08Å; L96-I100 WeakPolarHBondContact O-CG1 3.28Å; L96-I100 PolarHBondContact O-N 3.45Å; L96-W500 HydrophobicContact CD2-CH2 4.24Å; L96-W500 HydrophobicContact CD2-CZ3 4.47Å; L96-Y503 HydrophobicContact CD2-CD1 3.88Å; L96-Y503 HydrophobicContact CD2-CD2 3.5Å; L96-Y503 HydrophobicContact CD2-CE1 4.08Å; L96-Y503 HydrophobicContact CD2-CE2 3.71Å; L96-Y503 HydrophobicContact CD2-CG 3.61Å
97	P	95.4	Very high	93.6	Very high	48 Å²	48	37.3 Å²	37.3	31%	0.312	20%	0.201	S	C	.	.	H	α-helix	trans	-61.1	-42.7	180	-26.9	36.7	0	0	0	112.3	A92 S99 I100 M101	A92-P97 WeakPolarHBondContact O-CD 3.49Å; A92-P97 WeakPolarHBondContact O-CG 3.41Å; P97-S99 VanDerWaalsContact C-N 3.34Å; P97-S99 PolarHBondContact O-N 3.41Å; P97-I100 PolarHBondContact O-N 2.91Å; P97-M101 WeakPolarHBondContact O-CB 3.39Å; P97-M101 VanDerWaalsContact O-CG 3.25Å; P97-M101 WeakPolarHBondContact O-CG 3.48Å; P97-M101 PolarHBondContact O-N 2.89Å
98	L	93.5	Very high	93.1	Very high	31 Å²	31	37.5 Å²	37.5	16%	0.162	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-36.7	175.8	-65.7	178.9	0	0	0	111.8	L96 R102 Y110 W119	L96-L98 VanDerWaalsContact C-N 3.34Å; L96-L98 PolarHBondContact O-N 3.35Å; L98-R102 WeakPolarHBondContact O-CB 3.38Å; L98-R102 PolarHBondContact O-N 3.47Å; L98-Y110 HydrophobicContact CD2-CD2 4.48Å; L98-Y110 HydrophobicContact CD2-CE1 4.39Å; L98-Y110 HydrophobicContact CD2-CE2 3.6Å; L98-Y110 WeakPolarHBondContact CD2-OH 3.34Å; L98-W119 HydrophobicContact CB-CG 4.2Å; L98-W119 HydrophobicContact CD1-CB 4.04Å; L98-W119 HydrophobicContact CD1-CG 4Å
99	S	91.5	Very high	92.8	Very high	6 Å²	6	38.9 Å²	38.9	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-43.5	175.1	-168.2	0	0	0	0	112.4	V95 L96 P97 R102 Q103	V95-S99 PolarHBondContact O-N 3.28Å; L96-S99 WeakPolarHBondContact O-CB 3.24Å; L96-S99 PolarHBondContact O-N 2.85Å; L96-S99 VanDerWaalsContact O-N 3.08Å; P97-S99 VanDerWaalsContact C-N 3.34Å; P97-S99 PolarHBondContact O-N 3.41Å; S99-R102 PolarHBondContact O-N 2.94Å; S99-Q103 PolarHBondContact O-N 2.87Å; S99-Q103 VanDerWaalsContact O-N 3.16Å
100	I	93.6	Very high	92.3	Very high	12 Å²	12	41.8 Å²	41.8	6%	0.062	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-45.9	177.4	-66.8	166.2	0	0	0	109.5	I46 Q49 I50 D53 L96 P97 R102 Q103 V104 W500	I46-I100 HydrophobicContact CG2-CG2 4.37Å; Q49-I100 HydrophobicContact CB-CD1 4.39Å; Q49-I100 HydrophobicContact CB-CG1 4.2Å; I50-I100 HydrophobicContact CD1-CG2 4.48Å; I50-I100 HydrophobicContact CG1-CD1 4.16Å; I50-I100 HydrophobicContact CG1-CG2 4.02Å; D53-I100 HydrophobicContact CB-CD1 4.19Å; L96-I100 WeakPolarHBondContact O-CG1 3.28Å; L96-I100 PolarHBondContact O-N 3.45Å; P97-I100 PolarHBondContact O-N 2.91Å; I100-R102 PolarHBondContact O-N 2.91Å; I100-Q103 CarbonylContact O-C 3.57Å; I100-Q103 WeakPolarHBondContact O-CA 3.19Å; I100-Q103 WeakPolarHBondContact O-CB 3.44Å; I100-Q103 PolarHBondContact O-N 3.36Å; I100-V104 HydrophobicContact CG2-CG2 4.17Å; I100-V104 WeakPolarHBondContact O-CG2 3.45Å; I100-V104 PolarHBondContact O-N 3.4Å; I100-W500 HydrophobicContact CD1-CH2 4.09Å; I100-W500 HydrophobicContact CD1-CZ2 4.42Å; I100-W500 HydrophobicContact CG1-CH2 3.91Å; I100-W500 HydrophobicContact CG1-CZ2 3.74Å
101	M	92.8	Very high	91.6	Very high	69 Å²	69	46.7 Å²	46.7	34%	0.34	24%	0.243	S	C	.	.	H	α-helix	trans	-61.2	-42.8	178.2	-70	-62.9	-79.3	0	0	112.2	P97 Q103 V104 Y105 Y110	P97-M101 WeakPolarHBondContact O-CB 3.39Å; P97-M101 VanDerWaalsContact O-CG 3.25Å; P97-M101 WeakPolarHBondContact O-CG 3.48Å; P97-M101 PolarHBondContact O-N 2.89Å; M101-Q103 PolarHBondContact O-N 3.39Å; M101-V104 PolarHBondContact O-N 3.04Å; M101-Y105 HydrophobicContact CE-CE2 3.69Å; M101-Y105 WeakPolarHBondContact O-CD2 3.29Å; M101-Y105 PolarHBondContact O-N 3.06Å; M101-Y105 VanDerWaalsContact O-N 3.14Å; M101-Y110 WeakPolarHBondContact CB-OH 3.28Å; M101-Y110 WeakPolarHBondContact CG-OH 3.41Å
102	R	88.7	Confident	91.1	Very high	8 Å²	8	48.7 Å²	48.7	3%	0.03	26%	0.257	C	S	.	.	H	α-helix	trans	-56	-39.6	172.7	-172.3	-176.9	86.2	89.4	-8.6	111.8	L98 S99 I100 G106 Y107 W108 Y192 E492 M496	L98-R102 WeakPolarHBondContact O-CB 3.38Å; L98-R102 PolarHBondContact O-N 3.47Å; S99-R102 PolarHBondContact O-N 2.94Å; I100-R102 PolarHBondContact O-N 2.91Å; R102-G106 WeakPolarHBondContact O-CA 3.27Å; R102-G106 PolarHBondContact O-N 2.94Å; R102-Y107 PolarHBondContact O-N 3.24Å; R102-W108 HydrophobicContact CB-CE3 4.42Å; R102-W108 HydrophobicContact CG-CE3 4.38Å; R102-Y192 PolarHBondContact NH1-OH 3.43Å; R102-Y192 VanDerWaalsContact NH1-OH 3.09Å; R102-E492 IonicContact CZ-OE1 3.87Å; R102-E492 VanDerWaalsContact CZ-OE1 3.28Å; R102-E492 IonicContact NH1-OE1 3.03Å; R102-E492 PolarHBondContact NH1-OE1 2.99Å; R102-E492 IonicContact NH2-OE1 3.65Å; R102-E492 PolarHBondContact NH2-OE1 3.46Å; R102-M496 VanDerWaalsContact CZ-CE 3.49Å; R102-M496 PolarHBondContact NH2-SD 3.44Å
103	Q	87.9	Confident	90.4	Very high	35 Å²	35	52.5 Å²	52.5	16%	0.164	27%	0.274	C	S	.	.	H	α-helix	trans	-74.5	-37.6	179.5	-175.3	161.7	-2.7	0	0	113.1	I46 Q49 S99 I100 M101 G106 M496	I46-Q103 HydrophobicContact CG1-CG 4.41Å; Q49-Q103 VanDerWaalsContact OE1-OE1 3.07Å; S99-Q103 PolarHBondContact O-N 2.87Å; S99-Q103 VanDerWaalsContact O-N 3.16Å; I100-Q103 CarbonylContact O-C 3.57Å; I100-Q103 WeakPolarHBondContact O-CA 3.19Å; I100-Q103 WeakPolarHBondContact O-CB 3.44Å; I100-Q103 PolarHBondContact O-N 3.36Å; M101-Q103 PolarHBondContact O-N 3.39Å; Q103-G106 PolarHBondContact O-N 2.95Å; Q103-M496 HydrophobicContact CB-CE 4.07Å; Q103-M496 HydrophobicContact CG-CE 4.32Å
104	V	90.6	Very high	89.8	Confident	72 Å²	72	55.1 Å²	55.1	44%	0.436	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-45.8	176.5	169.1	0	0	0	0	111.2	I46 I100 M101	I46-V104 HydrophobicContact CD1-CG2 3.97Å; I46-V104 HydrophobicContact CG1-CG2 4.36Å; I46-V104 HydrophobicContact CG2-CG2 3.83Å; I100-V104 HydrophobicContact CG2-CG2 4.17Å; I100-V104 WeakPolarHBondContact O-CG2 3.45Å; I100-V104 PolarHBondContact O-N 3.4Å; M101-V104 PolarHBondContact O-N 3.04Å
105	Y	89.9	Confident	89.5	Confident	118 Å²	118	54.7 Å²	54.7	46%	0.463	28%	0.279	S	S	.	.	H	α-helix	trans	-81.7	-21	179.5	-74.8	-82.1	0	0	0	113.3	M101 Y107 P109	M101-Y105 HydrophobicContact CE-CE2 3.69Å; M101-Y105 WeakPolarHBondContact O-CD2 3.29Å; M101-Y105 PolarHBondContact O-N 3.06Å; M101-Y105 VanDerWaalsContact O-N 3.14Å; Y105-Y107 HydrophobicContact CD1-CE1 4.25Å; Y105-Y107 WeakPolarHBondContact O-CD1 3.34Å; Y105-Y107 WeakPolarHBondContact O-CE1 3.43Å; Y105-Y107 PolarHBondContact O-N 3.21Å; Y105-P109 HydrophobicContact CD1-CB 4.42Å; Y105-P109 HydrophobicContact CD2-CB 3.81Å; Y105-P109 HydrophobicContact CD2-CG 3.77Å; Y105-P109 HydrophobicContact CE2-CB 4.2Å; Y105-P109 HydrophobicContact CE2-CG 4.24Å; Y105-P109 HydrophobicContact CG-CB 3.93Å; Y105-P109 HydrophobicContact CG-CG 4.3Å
106	G	85.3	Confident	89.1	Confident	56 Å²	56	54.8 Å²	54.8	58%	0.577	28%	0.279	S	S	*	.	S	Bend	trans	75.3	-0.8	-172.7	0	0	0	0	0	114.2	R102 Q103	R102-G106 WeakPolarHBondContact O-CA 3.27Å; R102-G106 PolarHBondContact O-N 2.94Å; Q103-G106 PolarHBondContact O-N 2.95Å
107	Y	86.9	Confident	88.6	Confident	112 Å²	112	55.8 Å²	55.8	44%	0.439	29%	0.285	S	S	.	.	S	Bend	trans	-145.8	172.2	176.8	66.7	-91.7	0	0	0	109.5	R102 Y105 P109 G189	R102-Y107 PolarHBondContact O-N 3.24Å; Y105-Y107 HydrophobicContact CD1-CE1 4.25Å; Y105-Y107 WeakPolarHBondContact O-CD1 3.34Å; Y105-Y107 WeakPolarHBondContact O-CE1 3.43Å; Y105-Y107 PolarHBondContact O-N 3.21Å; Y107-P109 HydrophobicContact CE2-CB 4.12Å; Y107-P109 VanDerWaalsContact O-CD 3.22Å; Y107-P109 WeakPolarHBondContact O-CD 3.46Å; Y107-G189 WeakPolarHBondContact CA-O 3.42Å; Y107-G189 WeakPolarHBondContact CB-O 3.49Å
108	W	88.8	Confident	88.3	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.015	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-78.7	107.1	173.9	-176.7	-108.1	0	0	0	111.5	R102 Y110 S112 L115 C116 W119 G189 C191	R102-W108 HydrophobicContact CB-CE3 4.42Å; R102-W108 HydrophobicContact CG-CE3 4.38Å; W108-Y110 AromaticContact CD2-CD2 3.95Å; W108-Y110 HydrophobicContact CD2-CD2 3.95Å; W108-Y110 AromaticContact CE2-CD2 3.66Å; W108-Y110 HydrophobicContact CE3-CD2 4.15Å; W108-Y110 HydrophobicContact CE3-CE2 4.49Å; W108-Y110 AromaticContact CH2-CD2 3.85Å; W108-Y110 HydrophobicContact CH2-CD2 3.85Å; W108-Y110 HydrophobicContact CH2-CE2 4.18Å; W108-Y110 AromaticContact CZ2-CD2 3.62Å; W108-Y110 HydrophobicContact CZ2-CD2 3.62Å; W108-Y110 HydrophobicContact CZ2-CE2 4.4Å; W108-Y110 HydrophobicContact CZ2-CG 4.39Å; W108-Y110 HydrophobicContact CZ3-CD2 4.11Å; W108-Y110 HydrophobicContact CZ3-CE2 4.23Å; W108-Y110 PolarHBondContact O-N 2.96Å; W108-S112 PolarHBondContact NE1-O 2.96Å; W108-S112 VanDerWaalsContact NE1-O 3.09Å; W108-L115 HydrophobicContact CH2-CD2 4.41Å; W108-L115 HydrophobicContact CH2-CG 4.24Å; W108-L115 HydrophobicContact CZ2-CB 3.97Å; W108-L115 HydrophobicContact CZ2-CD2 3.85Å; W108-L115 HydrophobicContact CZ2-CG 3.71Å; W108-C116 HydrophobicContact CZ2-CB 4Å; W108-W119 HydrophobicContact CE3-CE3 4.47Å; W108-W119 HydrophobicContact CH2-CB 4.03Å; W108-W119 HydrophobicContact CH2-CD2 4.14Å; W108-W119 HydrophobicContact CH2-CE3 4.07Å; W108-W119 HydrophobicContact CH2-CG 4.15Å; W108-W119 AromaticContact CZ3-CD2 3.95Å; W108-W119 HydrophobicContact CZ3-CD2 3.95Å; W108-W119 AromaticContact CZ3-CE3 3.7Å; W108-W119 HydrophobicContact CZ3-CE3 3.7Å; W108-W119 HydrophobicContact CZ3-CG 4.4Å; W108-W119 HydrophobicContact CZ3-CZ3 4.14Å; W108-G189 PolarHBondContact N-O 3.27Å; W108-C191 HydrophobicContact CB-CB 3.65Å; W108-C191 HydrophobicContact CD2-CB 3.55Å; W108-C191 HydrophobicContact CE3-CB 3.69Å; W108-C191 HydrophobicContact CG-CB 3.57Å; W108-C191 HydrophobicContact CZ3-CB 4.49Å
109	P	89.2	Confident	88.1	Confident	30 Å²	30	58.8 Å²	58.8	20%	0.195	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.7	-166.5	36.1	-37.4	0	0	0	114.5	Y105 Y107	Y105-P109 HydrophobicContact CD1-CB 4.42Å; Y105-P109 HydrophobicContact CD2-CB 3.81Å; Y105-P109 HydrophobicContact CD2-CG 3.77Å; Y105-P109 HydrophobicContact CE2-CB 4.2Å; Y105-P109 HydrophobicContact CE2-CG 4.24Å; Y105-P109 HydrophobicContact CG-CB 3.93Å; Y105-P109 HydrophobicContact CG-CG 4.3Å; Y107-P109 HydrophobicContact CE2-CB 4.12Å; Y107-P109 VanDerWaalsContact O-CD 3.22Å; Y107-P109 WeakPolarHBondContact O-CD 3.46Å
110	Y	88.8	Confident	87.9	Confident	84 Å²	84	59.1 Å²	59.1	33%	0.329	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.5	-171.4	-56.6	-74.2	0	0	0	114	L98 M101 W108 S112 L115	L98-Y110 HydrophobicContact CD2-CD2 4.48Å; L98-Y110 HydrophobicContact CD2-CE1 4.39Å; L98-Y110 HydrophobicContact CD2-CE2 3.6Å; L98-Y110 WeakPolarHBondContact CD2-OH 3.34Å; M101-Y110 WeakPolarHBondContact CB-OH 3.28Å; M101-Y110 WeakPolarHBondContact CG-OH 3.41Å; W108-Y110 AromaticContact CD2-CD2 3.95Å; W108-Y110 HydrophobicContact CD2-CD2 3.95Å; W108-Y110 AromaticContact CE2-CD2 3.66Å; W108-Y110 HydrophobicContact CE3-CD2 4.15Å; W108-Y110 HydrophobicContact CE3-CE2 4.49Å; W108-Y110 AromaticContact CH2-CD2 3.85Å; W108-Y110 HydrophobicContact CH2-CD2 3.85Å; W108-Y110 HydrophobicContact CH2-CE2 4.18Å; W108-Y110 AromaticContact CZ2-CD2 3.62Å; W108-Y110 HydrophobicContact CZ2-CD2 3.62Å; W108-Y110 HydrophobicContact CZ2-CE2 4.4Å; W108-Y110 HydrophobicContact CZ2-CG 4.39Å; W108-Y110 HydrophobicContact CZ3-CD2 4.11Å; W108-Y110 HydrophobicContact CZ3-CE2 4.23Å; W108-Y110 PolarHBondContact O-N 2.96Å; Y110-S112 PolarHBondContact O-N 3.48Å; Y110-L115 HydrophobicContact CD1-CD2 4.05Å; Y110-L115 HydrophobicContact CD2-CD2 3.87Å; Y110-L115 HydrophobicContact CG-CD2 3.6Å
111	E	82.6	Confident	87.7	Confident	155 Å²	155	58.6 Å²	58.6	72%	0.724	29%	0.287	S	S	*	.			trans	48.6	19.2	-177.4	-61.2	-176.2	178.9	0	0	114.8
112	S	86	Confident	87.7	Confident	43 Å²	43	55.8 Å²	55.8	30%	0.301	27%	0.274	S	S	.	.			trans	-113.2	114.2	-175.3	177.8	0	0	0	0	110.3	W108 Y110 L115 C116	W108-S112 PolarHBondContact NE1-O 2.96Å; W108-S112 VanDerWaalsContact NE1-O 3.09Å; Y110-S112 PolarHBondContact O-N 3.48Å; S112-L115 WeakPolarHBondContact OG-CB 3.42Å; S112-L115 PolarHBondContact OG-N 3.48Å; S112-L115 VanDerWaalsContact OG-N 3.15Å; S112-C116 PolarHBondContact O-N 2.98Å
113	H	82.5	Confident	87.8	Confident	85 Å²	85	56.9 Å²	56.9	39%	0.394	28%	0.28	S	S	.	.	H	α-helix	trans	-59	-46.9	171.1	178.7	-81.8	0	0	0	111.2	L115 C116 I117 T186	H113-L115 PolarHBondContact O-N 3.14Å; H113-C116 WeakPolarHBondContact O-CB 3.39Å; H113-C116 PolarHBondContact O-N 2.84Å; H113-C116 VanDerWaalsContact O-N 3.16Å; H113-I117 WeakPolarHBondContact CE1-CD1 3.49Å; H113-I117 PolarHBondContact O-N 3.33Å; H113-T186 WeakPolarHBondContact CD2-CB 2.92Å; H113-T186 PolarHBondContact CD2-OG1 2.92Å; H113-T186 WeakPolarHBondContact NE2-CB 3.27Å; H113-T186 PolarHBondContact NE2-OG1 3.48Å
114	E	85.2	Confident	87.9	Confident	127 Å²	127	56.6 Å²	56.6	59%	0.593	28%	0.28	S	S	*	.	H	α-helix	trans	-64.1	-42.6	-177.4	-58.9	-47.5	120.6	0	0	112.3	C116 I117 Y118	E114-C116 VanDerWaalsContact C-N 3.27Å; E114-C116 PolarHBondContact O-N 2.91Å; E114-I117 PolarHBondContact O-N 2.64Å; E114-Y118 VanDerWaalsContact O-CB 3.3Å; E114-Y118 WeakPolarHBondContact O-CB 3.11Å; E114-Y118 PolarHBondContact O-N 3.31Å
115	L	88.6	Confident	88	Confident	54 Å²	54	54.1 Å²	54.1	28%	0.283	26%	0.264	S	S	.	.	H	α-helix	trans	-64.2	-36.6	176.7	-173	66	0	0	0	111.2	W108 Y110 S112 H113 W119	W108-L115 HydrophobicContact CH2-CD2 4.41Å; W108-L115 HydrophobicContact CH2-CG 4.24Å; W108-L115 HydrophobicContact CZ2-CB 3.97Å; W108-L115 HydrophobicContact CZ2-CD2 3.85Å; W108-L115 HydrophobicContact CZ2-CG 3.71Å; Y110-L115 HydrophobicContact CD1-CD2 4.05Å; Y110-L115 HydrophobicContact CD2-CD2 3.87Å; Y110-L115 HydrophobicContact CG-CD2 3.6Å; S112-L115 WeakPolarHBondContact OG-CB 3.42Å; S112-L115 PolarHBondContact OG-N 3.48Å; S112-L115 VanDerWaalsContact OG-N 3.15Å; H113-L115 PolarHBondContact O-N 3.14Å; L115-W119 VanDerWaalsContact O-CB 3.22Å; L115-W119 WeakPolarHBondContact O-CB 3.46Å; L115-W119 PolarHBondContact O-N 2.8Å
116	C	88.2	Confident	88.3	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-64.6	-49.4	176	174.4	0	0	0	0	111.7	W108 S112 H113 E114 Y118 W119 L120 T186 C191	W108-C116 HydrophobicContact CZ2-CB 4Å; S112-C116 PolarHBondContact O-N 2.98Å; H113-C116 WeakPolarHBondContact O-CB 3.39Å; H113-C116 PolarHBondContact O-N 2.84Å; H113-C116 VanDerWaalsContact O-N 3.16Å; E114-C116 VanDerWaalsContact C-N 3.27Å; E114-C116 PolarHBondContact O-N 2.91Å; C116-Y118 VanDerWaalsContact C-N 3.31Å; C116-Y118 PolarHBondContact O-N 3.41Å; C116-W119 PolarHBondContact O-N 2.76Å; C116-L120 WeakPolarHBondContact O-CB 3.47Å; C116-L120 WeakPolarHBondContact O-CG 3.48Å; C116-L120 PolarHBondContact O-N 2.84Å; C116-T186 HydrophobicContact CB-CG2 3.94Å; C116-T186 VanDerWaalsContact SG-CG2 3.54Å; C116-C191 WeakPolarHBondContact CA-SG 3.49Å; C116-C191 HydrophobicContact CB-CB 3.87Å; C116-C191 WeakPolarHBondContact CB-SG 3.16Å; C116-C191 WeakPolarHBondContact SG-CA 3.46Å; C116-C191 WeakPolarHBondContact SG-CB 3.46Å; C116-C191 CovalentContact SG-SG 2.02Å; C116-C191 PolarHBondContact SG-SG 2.9Å
117	I	85.1	Confident	88.6	Confident	21 Å²	21	46.4 Å²	46.4	11%	0.108	22%	0.218	C	C	.	.	H	α-helix	trans	-59.9	-44.5	177	-67.6	-170.7	0	0	0	110.5	H113 E114 L120 S121 T186	H113-I117 WeakPolarHBondContact CE1-CD1 3.49Å; H113-I117 PolarHBondContact O-N 3.33Å; E114-I117 PolarHBondContact O-N 2.64Å; I117-L120 PolarHBondContact O-N 3.3Å; I117-S121 WeakPolarHBondContact O-CB 3.37Å; I117-S121 PolarHBondContact O-N 3.22Å; I117-S121 PolarHBondContact O-OG 2.99Å; I117-T186 HydrophobicContact CG1-CG2 4.03Å
118	Y	87.7	Confident	88.9	Confident	130 Å²	130	41.3 Å²	41.3	51%	0.51	20%	0.199	S	C	.	.	H	α-helix	trans	-61.1	-48	177.9	179.7	-97.9	0	0	0	111.4	E114 C116 S121 L122	E114-Y118 VanDerWaalsContact O-CB 3.3Å; E114-Y118 WeakPolarHBondContact O-CB 3.11Å; E114-Y118 PolarHBondContact O-N 3.31Å; C116-Y118 VanDerWaalsContact C-N 3.31Å; C116-Y118 PolarHBondContact O-N 3.41Å; Y118-S121 PolarHBondContact O-N 3.14Å; Y118-L122 HydrophobicContact CE1-CD2 3.85Å; Y118-L122 WeakPolarHBondContact O-CB 3.46Å; Y118-L122 PolarHBondContact O-N 3.27Å
119	W	90.9	Very high	89.2	Confident	12 Å²	12	41.1 Å²	41.1	5%	0.045	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-47.4	178.4	171.8	65.1	0	0	0	112.3	V95 L98 W108 L115 C116 L122 N123 C191	V95-W119 PolarHBondContact O-NE1 3.4Å; L98-W119 HydrophobicContact CB-CG 4.2Å; L98-W119 HydrophobicContact CD1-CB 4.04Å; L98-W119 HydrophobicContact CD1-CG 4Å; W108-W119 HydrophobicContact CE3-CE3 4.47Å; W108-W119 HydrophobicContact CH2-CB 4.03Å; W108-W119 HydrophobicContact CH2-CD2 4.14Å; W108-W119 HydrophobicContact CH2-CE3 4.07Å; W108-W119 HydrophobicContact CH2-CG 4.15Å; W108-W119 AromaticContact CZ3-CD2 3.95Å; W108-W119 HydrophobicContact CZ3-CD2 3.95Å; W108-W119 AromaticContact CZ3-CE3 3.7Å; W108-W119 HydrophobicContact CZ3-CE3 3.7Å; W108-W119 HydrophobicContact CZ3-CG 4.4Å; W108-W119 HydrophobicContact CZ3-CZ3 4.14Å; L115-W119 VanDerWaalsContact O-CB 3.22Å; L115-W119 WeakPolarHBondContact O-CB 3.46Å; L115-W119 PolarHBondContact O-N 2.8Å; C116-W119 PolarHBondContact O-N 2.76Å; W119-L122 PolarHBondContact O-N 3.27Å; W119-N123 WeakPolarHBondContact O-CB 3.33Å; W119-N123 PolarHBondContact O-N 3.3Å; W119-C191 VanDerWaalsContact CZ3-SG 3.59Å
120	L	87.7	Confident	89.4	Confident	13 Å²	13	39.9 Å²	39.9	7%	0.068	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-46.9	177.2	-69.9	174.7	0	0	0	111.6	C116 I117 N123 V124	C116-L120 WeakPolarHBondContact O-CB 3.47Å; C116-L120 WeakPolarHBondContact O-CG 3.48Å; C116-L120 PolarHBondContact O-N 2.84Å; I117-L120 PolarHBondContact O-N 3.3Å; L120-N123 PolarHBondContact O-N 3.38Å; L120-V124 WeakPolarHBondContact O-CG2 3.38Å; L120-V124 PolarHBondContact O-N 2.9Å; L120-V124 VanDerWaalsContact O-N 3.1Å
121	S	88.8	Confident	89.6	Confident	1 Å²	1	36 Å²	36	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-63.7	-42.6	179.3	-57.7	0	0	0	0	111.5	I117 Y118 N123 V124 F125 M175 I179	I117-S121 WeakPolarHBondContact O-CB 3.37Å; I117-S121 PolarHBondContact O-N 3.22Å; I117-S121 PolarHBondContact O-OG 2.99Å; Y118-S121 PolarHBondContact O-N 3.14Å; S121-N123 PolarHBondContact O-N 2.81Å; S121-V124 PolarHBondContact O-N 3.04Å; S121-F125 WeakPolarHBondContact O-CB 3.44Å; S121-F125 PolarHBondContact O-N 3.13Å; S121-M175 WeakPolarHBondContact O-CG 3.37Å; S121-I179 WeakPolarHBondContact OG-CG1 3.4Å
122	L	91.9	Very high	90.2	Very high	11 Å²	11	30.3 Å²	30.3	6%	0.058	15%	0.15	C	C	.	.	H	α-helix	trans	-65.3	-39	178.1	-171.9	74.4	0	0	0	111.9	L94 V95 Y118 W119 F125 L126	L94-L122 HydrophobicContact CB-CD2 3.34Å; L94-L122 HydrophobicContact CD1-CD1 4.49Å; L94-L122 HydrophobicContact CD1-CD2 3.85Å; L94-L122 HydrophobicContact CG-CD2 4.17Å; V95-L122 HydrophobicContact CG2-CD2 4.31Å; V95-L122 HydrophobicContact CG2-CG 4.38Å; Y118-L122 HydrophobicContact CE1-CD2 3.85Å; Y118-L122 WeakPolarHBondContact O-CB 3.46Å; Y118-L122 PolarHBondContact O-N 3.27Å; W119-L122 PolarHBondContact O-N 3.27Å; L122-F125 HydrophobicContact CD1-CD1 3.93Å; L122-F125 WeakPolarHBondContact O-CB 3.45Å; L122-F125 PolarHBondContact O-N 3.3Å; L122-L126 HydrophobicContact CD1-CD1 4.27Å; L122-L126 HydrophobicContact CD1-CG 4.38Å; L122-L126 HydrophobicContact CD2-CD1 4.36Å; L122-L126 HydrophobicContact CG-CD1 3.9Å; L122-L126 HydrophobicContact CG-CG 4.33Å; L122-L126 WeakPolarHBondContact O-CB 3.34Å; L122-L126 WeakPolarHBondContact O-CG 3.29Å; L122-L126 PolarHBondContact O-N 3.28Å
123	N	91.8	Very high	90.6	Very high	30 Å²	30	28.3 Å²	28.3	16%	0.16	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-49.6	173.6	-173.1	17.3	0	0	0	111.1	V95 W119 L120 S121 F125 L126 C127 Y503	V95-N123 HydrophobicContact CG1-CB 3.9Å; V95-N123 HydrophobicContact CG2-CB 4.3Å; W119-N123 WeakPolarHBondContact O-CB 3.33Å; W119-N123 PolarHBondContact O-N 3.3Å; L120-N123 PolarHBondContact O-N 3.38Å; S121-N123 PolarHBondContact O-N 2.81Å; N123-F125 VanDerWaalsContact C-N 3.32Å; N123-F125 PolarHBondContact O-N 3.46Å; N123-L126 PolarHBondContact O-N 2.92Å; N123-C127 VanDerWaalsContact O-CB 3.26Å; N123-C127 WeakPolarHBondContact O-CB 3.38Å; N123-C127 PolarHBondContact O-N 3.41Å; N123-C127 PolarHBondContact O-SG 2.94Å; N123-C127 PolarHBondContact OD1-SG 2.79Å; N123-Y503 PolarHBondContact ND2-OH 3.13Å; N123-Y503 VanDerWaalsContact ND2-OH 3.1Å; N123-Y503 PolarHBondContact OD1-OH 2.88Å
124	V	89.4	Confident	91.2	Very high	29 Å²	29	24.3 Å²	24.3	18%	0.176	12%	0.117	C	C	.	.	H	α-helix	trans	-58.8	-44	176.6	171.8	0	0	0	0	111.3	L120 S121 S128 V174 I207	L120-V124 WeakPolarHBondContact O-CG2 3.38Å; L120-V124 PolarHBondContact O-N 2.9Å; L120-V124 VanDerWaalsContact O-N 3.1Å; S121-V124 PolarHBondContact O-N 3.04Å; V124-S128 WeakPolarHBondContact O-CB 3.42Å; V124-S128 PolarHBondContact O-N 3.4Å; V124-S128 PolarHBondContact O-OG 3.28Å; V124-V174 HydrophobicContact CG1-CG1 3.79Å; V124-I207 HydrophobicContact CG1-CD1 4.14Å
125	F	93.5	Very high	91.6	Very high	21 Å²	21	18.9 Å²	18.9	9%	0.092	9%	0.093	C	C	.	.	H	α-helix	trans	-59.6	-55	177.5	164.5	-124.9	0	0	0	112.4	S121 L122 N123 S128 A129 W168 L172 M175	S121-F125 WeakPolarHBondContact O-CB 3.44Å; S121-F125 PolarHBondContact O-N 3.13Å; L122-F125 HydrophobicContact CD1-CD1 3.93Å; L122-F125 WeakPolarHBondContact O-CB 3.45Å; L122-F125 PolarHBondContact O-N 3.3Å; N123-F125 VanDerWaalsContact C-N 3.32Å; N123-F125 PolarHBondContact O-N 3.46Å; F125-S128 WeakPolarHBondContact O-CB 3.5Å; F125-S128 PolarHBondContact O-N 3.02Å; F125-A129 WeakPolarHBondContact O-CB 3.45Å; F125-A129 PolarHBondContact O-N 3.26Å; F125-W168 HydrophobicContact CE1-CE3 4.44Å; F125-W168 HydrophobicContact CE1-CZ3 4.14Å; F125-W168 AromaticContact CE2-CE3 3.89Å; F125-W168 HydrophobicContact CE2-CE3 3.89Å; F125-W168 HydrophobicContact CE2-CZ3 4.29Å; F125-W168 AromaticContact CZ-CE3 3.49Å; F125-W168 HydrophobicContact CZ-CE3 3.49Å; F125-W168 VanDerWaalsContact CZ-CE3 3.49Å; F125-W168 AromaticContact CZ-CZ3 3.61Å; F125-W168 HydrophobicContact CZ-CZ3 3.61Å; F125-L172 HydrophobicContact CD1-CD2 4.43Å; F125-L172 HydrophobicContact CD2-CD2 3.77Å; F125-L172 HydrophobicContact CD2-CG 4.02Å; F125-L172 HydrophobicContact CE1-CD2 4.09Å; F125-L172 HydrophobicContact CE2-CB 4.3Å; F125-L172 HydrophobicContact CE2-CD2 3.41Å; F125-L172 VanDerWaalsContact CE2-CD2 3.41Å; F125-L172 HydrophobicContact CE2-CG 3.44Å; F125-L172 VanDerWaalsContact CE2-CG 3.44Å; F125-L172 HydrophobicContact CG-CD2 4.26Å; F125-L172 HydrophobicContact CZ-CD2 3.55Å; F125-L172 HydrophobicContact CZ-CG 3.9Å; F125-M175 HydrophobicContact CB-CB 4.09Å; F125-M175 HydrophobicContact CB-CG 4.07Å; F125-M175 HydrophobicContact CB-SD 3.91Å; F125-M175 HydrophobicContact CG-SD 4.29Å
126	L	95.3	Very high	91.9	Very high	1 Å²	1	17 Å²	17	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-69.8	-37.8	-173.6	-68.2	174.1	0	0	0	111.9	L90 V91 V95 L122 N123 A129 S130 W168	L90-L126 HydrophobicContact CB-CD1 3.89Å; L90-L126 HydrophobicContact CB-CD2 3.7Å; L90-L126 HydrophobicContact CB-CG 4.46Å; L90-L126 HydrophobicContact CD1-CD2 3.91Å; L90-L126 HydrophobicContact CG-CD2 4.48Å; V91-L126 HydrophobicContact CG2-CB 3.62Å; V91-L126 HydrophobicContact CG2-CD1 4.08Å; V91-L126 HydrophobicContact CG2-CG 4.47Å; V95-L126 HydrophobicContact CG2-CD1 3.83Å; L122-L126 HydrophobicContact CD1-CD1 4.27Å; L122-L126 HydrophobicContact CD1-CG 4.38Å; L122-L126 HydrophobicContact CD2-CD1 4.36Å; L122-L126 HydrophobicContact CG-CD1 3.9Å; L122-L126 HydrophobicContact CG-CG 4.33Å; L122-L126 WeakPolarHBondContact O-CB 3.34Å; L122-L126 WeakPolarHBondContact O-CG 3.29Å; L122-L126 PolarHBondContact O-N 3.28Å; N123-L126 PolarHBondContact O-N 2.92Å; L126-A129 WeakPolarHBondContact O-CB 3.41Å; L126-A129 PolarHBondContact O-N 3.43Å; L126-S130 PolarHBondContact O-N 2.89Å; L126-S130 PolarHBondContact O-OG 3.41Å; L126-W168 HydrophobicContact CD2-CZ3 4.24Å
127	C	92.2	Very high	92.2	Very high	10 Å²	10	17.2 Å²	17.2	7%	0.068	9%	0.085	C	C	.	.	H	α-helix	trans	-62.9	-44.8	172.8	-67.7	0	0	0	0	111.3	N123 A129 S130 I131 W473	N123-C127 VanDerWaalsContact O-CB 3.26Å; N123-C127 WeakPolarHBondContact O-CB 3.38Å; N123-C127 PolarHBondContact O-N 3.41Å; N123-C127 PolarHBondContact O-SG 2.94Å; N123-C127 PolarHBondContact OD1-SG 2.79Å; C127-A129 VanDerWaalsContact C-N 3.27Å; C127-A129 PolarHBondContact O-N 2.92Å; C127-S130 PolarHBondContact O-N 3.09Å; C127-I131 VanDerWaalsContact O-CG1 3.27Å; C127-I131 WeakPolarHBondContact O-CG1 3.33Å; C127-I131 PolarHBondContact O-N 2.84Å; C127-W473 HydrophobicContact CB-CH2 3.61Å; C127-W473 HydrophobicContact CB-CZ2 4.16Å; C127-W473 VanDerWaalsContact SG-CH2 3.55Å
128	S	92.4	Very high	92.6	Very high	5 Å²	5	16.2 Å²	16.2	4%	0.035	8%	0.08	C	C	.	.	H	α-helix	trans	-60.7	-37.7	173.6	-61.1	0	0	0	0	111.8	V124 F125 I131 L132 S171	V124-S128 WeakPolarHBondContact O-CB 3.42Å; V124-S128 PolarHBondContact O-N 3.4Å; V124-S128 PolarHBondContact O-OG 3.28Å; F125-S128 WeakPolarHBondContact O-CB 3.5Å; F125-S128 PolarHBondContact O-N 3.02Å; S128-I131 PolarHBondContact O-N 3.37Å; S128-L132 WeakPolarHBondContact O-CB 3.45Å; S128-L132 WeakPolarHBondContact O-CG 3.5Å; S128-L132 PolarHBondContact O-N 2.9Å; S128-S171 PolarHBondContact O-OG 3Å
129	A	95.5	Very high	92.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.8	-44.4	177.1	0	0	0	0	0	111.1	A87 F125 L126 C127 L132 N133 W168 S171	A87-A129 HydrophobicContact CB-CB 4.22Å; F125-A129 WeakPolarHBondContact O-CB 3.45Å; F125-A129 PolarHBondContact O-N 3.26Å; L126-A129 WeakPolarHBondContact O-CB 3.41Å; L126-A129 PolarHBondContact O-N 3.43Å; C127-A129 VanDerWaalsContact C-N 3.27Å; C127-A129 PolarHBondContact O-N 2.92Å; A129-L132 PolarHBondContact O-N 3.1Å; A129-N133 WeakPolarHBondContact O-CB 3.49Å; A129-N133 PolarHBondContact O-N 2.96Å; A129-N133 PolarHBondContact O-ND2 3.12Å; A129-W168 HydrophobicContact CB-CD2 4.4Å; A129-W168 HydrophobicContact CB-CE3 3.95Å; A129-W168 HydrophobicContact CB-CH2 4.29Å; A129-W168 HydrophobicContact CB-CZ3 3.91Å; A129-S171 WeakPolarHBondContact CA-OG 3.21Å; A129-S171 PolarHBondContact N-OG 2.89Å
130	S	94.2	Very high	92.9	Very high	4 Å²	4	10.9 Å²	10.9	3%	0.028	6%	0.062	C	C	.	.	H	α-helix	trans	-60.5	-45.6	174.8	-70	0	0	0	0	111.7	A87 D88 L126 C127 N133 L134	A87-S130 WeakPolarHBondContact CB-OG 3.39Å; D88-S130 PolarHBondContact OD1-OG 3.45Å; D88-S130 VanDerWaalsContact OD1-OG 3.11Å; L126-S130 PolarHBondContact O-N 2.89Å; L126-S130 PolarHBondContact O-OG 3.41Å; C127-S130 PolarHBondContact O-N 3.09Å; S130-N133 PolarHBondContact O-N 3.15Å; S130-L134 WeakPolarHBondContact O-CG 3.44Å; S130-L134 PolarHBondContact O-N 3.11Å
131	I	92.8	Very high	93.1	Very high	3 Å²	3	10.4 Å²	10.4	2%	0.015	6%	0.059	C	C	.	.	H	α-helix	trans	-60.8	-49.2	177.9	-66	171.9	0	0	0	111.7	C127 S128 N133 L134 C135 F208 P211 F469	C127-I131 VanDerWaalsContact O-CG1 3.27Å; C127-I131 WeakPolarHBondContact O-CG1 3.33Å; C127-I131 PolarHBondContact O-N 2.84Å; S128-I131 PolarHBondContact O-N 3.37Å; I131-N133 VanDerWaalsContact C-N 3.33Å; I131-N133 PolarHBondContact O-N 2.89Å; I131-L134 WeakPolarHBondContact O-CB 3.12Å; I131-L134 PolarHBondContact O-N 3.35Å; I131-L134 VanDerWaalsContact O-N 3.14Å; I131-C135 PolarHBondContact O-N 3.01Å; I131-C135 PolarHBondContact O-SG 2.98Å; I131-F208 HydrophobicContact CD1-CD1 3.91Å; I131-F208 HydrophobicContact CD1-CE1 4.05Å; I131-P211 HydrophobicContact CG2-CB 3.23Å; I131-P211 HydrophobicContact CG2-CG 3.74Å; I131-F469 HydrophobicContact CB-CZ 4.49Å; I131-F469 HydrophobicContact CD1-CE2 4.34Å; I131-F469 HydrophobicContact CD1-CZ 4.19Å; I131-F469 HydrophobicContact CG1-CE2 3.58Å; I131-F469 HydrophobicContact CG1-CZ 3.65Å; I131-F469 HydrophobicContact CG2-CZ 4.36Å
132	L	94.1	Very high	93.2	Very high	36 Å²	36	14 Å²	14	19%	0.188	7%	0.073	C	C	.	.	H	α-helix	trans	-70.1	-29.5	-178.9	-68.2	-177.6	0	0	0	112.7	S128 A129 C135 C136 A167 I170 S171	S128-L132 WeakPolarHBondContact O-CB 3.45Å; S128-L132 WeakPolarHBondContact O-CG 3.5Å; S128-L132 PolarHBondContact O-N 2.9Å; A129-L132 PolarHBondContact O-N 3.1Å; L132-C135 WeakPolarHBondContact O-CB 3.39Å; L132-C135 PolarHBondContact O-N 3.39Å; L132-C136 PolarHBondContact O-N 3.29Å; L132-C136 PolarHBondContact O-SG 3.36Å; L132-A167 HydrophobicContact CB-CB 3.72Å; L132-A167 WeakPolarHBondContact CD1-O 3.49Å; L132-I170 HydrophobicContact CD1-CB 3.66Å; L132-I170 HydrophobicContact CD1-CG2 3.49Å; L132-I170 VanDerWaalsContact CD1-CG2 3.49Å; L132-S171 WeakPolarHBondContact CD1-OG 3.27Å
133	N	95.9	Very high	93.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65	-40.9	168.9	-83.9	-72	0	0	0	111.4	S83 L84 A129 S130 I131 C135 C136 I137	S83-N133 WeakPolarHBondContact CB-OD1 3.43Å; S83-N133 PolarHBondContact OG-ND2 3.48Å; S83-N133 PolarHBondContact OG-OD1 3.29Å; L84-N133 HydrophobicContact CB-CB 4.22Å; L84-N133 HydrophobicContact CD1-CB 4.18Å; A129-N133 WeakPolarHBondContact O-CB 3.49Å; A129-N133 PolarHBondContact O-N 2.96Å; A129-N133 PolarHBondContact O-ND2 3.12Å; S130-N133 PolarHBondContact O-N 3.15Å; I131-N133 VanDerWaalsContact C-N 3.33Å; I131-N133 PolarHBondContact O-N 2.89Å; N133-C135 PolarHBondContact O-N 3.37Å; N133-C136 WeakPolarHBondContact O-CB 3.46Å; N133-C136 PolarHBondContact O-N 2.91Å; N133-I137 VanDerWaalsContact O-CG1 3.28Å; N133-I137 WeakPolarHBondContact O-CG1 3.24Å; N133-I137 PolarHBondContact O-N 3.02Å
134	L	93.3	Very high	93.1	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-61.7	-41.4	172.4	-71.9	171	0	0	0	112.1	L84 S130 I131 C136 I137 S138 V465 F469	L84-L134 HydrophobicContact CD1-CG 4.26Å; L84-L134 HydrophobicContact CD2-CD2 3.77Å; L84-L134 HydrophobicContact CD2-CG 4.34Å; S130-L134 WeakPolarHBondContact O-CG 3.44Å; S130-L134 PolarHBondContact O-N 3.11Å; I131-L134 WeakPolarHBondContact O-CB 3.12Å; I131-L134 PolarHBondContact O-N 3.35Å; I131-L134 VanDerWaalsContact O-N 3.14Å; L134-C136 VanDerWaalsContact C-N 3.34Å; L134-C136 PolarHBondContact O-N 3.44Å; L134-I137 HydrophobicContact CD2-CD1 4.44Å; L134-I137 PolarHBondContact O-N 3.37Å; L134-S138 WeakPolarHBondContact O-CB 3.41Å; L134-S138 PolarHBondContact O-N 3.47Å; L134-S138 PolarHBondContact O-OG 2.92Å; L134-V465 HydrophobicContact CD2-CG1 3.63Å; L134-F469 HydrophobicContact CD1-CB 3.72Å; L134-F469 HydrophobicContact CD1-CD1 4.06Å; L134-F469 HydrophobicContact CD1-CD2 3.32Å; L134-F469 HydrophobicContact CD1-CE2 3.97Å; L134-F469 HydrophobicContact CD1-CG 3.39Å
135	C	93.9	Very high	93	Very high	12 Å²	12	13.8 Å²	13.8	8%	0.081	7%	0.071	C	C	.	.	H	α-helix	trans	-58.2	-45.5	171.8	-69.7	0	0	0	0	111.6	I131 L132 N133 I137 S138 V139 V215	I131-C135 PolarHBondContact O-N 3.01Å; I131-C135 PolarHBondContact O-SG 2.98Å; L132-C135 WeakPolarHBondContact O-CB 3.39Å; L132-C135 PolarHBondContact O-N 3.39Å; N133-C135 PolarHBondContact O-N 3.37Å; C135-I137 PolarHBondContact O-N 3.38Å; C135-S138 WeakPolarHBondContact O-CB 3.47Å; C135-S138 PolarHBondContact O-N 2.93Å; C135-V139 WeakPolarHBondContact O-CG2 3.21Å; C135-V139 PolarHBondContact O-N 3.04Å; C135-V215 VanDerWaalsContact SG-CG2 3.53Å
136	C	94.8	Very high	92.6	Very high	16 Å²	16	14 Å²	14	11%	0.108	7%	0.073	C	C	.	.	H	α-helix	trans	-60.3	-45.1	177.2	-72.1	0	0	0	0	112.3	Y80 L132 N133 L134 S138 V139 D140 M163	Y80-C136 HydrophobicContact CD1-CB 3.93Å; Y80-C136 HydrophobicContact CE1-CB 4.02Å; L132-C136 PolarHBondContact O-N 3.29Å; L132-C136 PolarHBondContact O-SG 3.36Å; N133-C136 WeakPolarHBondContact O-CB 3.46Å; N133-C136 PolarHBondContact O-N 2.91Å; L134-C136 VanDerWaalsContact C-N 3.34Å; L134-C136 PolarHBondContact O-N 3.44Å; C136-S138 VanDerWaalsContact C-N 3.34Å; C136-V139 PolarHBondContact O-N 3.17Å; C136-D140 PolarHBondContact O-N 3.48Å; C136-M163 HydrophobicContact CB-CE 4.1Å
137	I	94.4	Very high	92.1	Very high	5 Å²	5	19.7 Å²	19.7	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-61.9	-45.7	176.2	-59.6	162	0	0	0	109.7	Y80 L84 N133 L134 C135 V139 D140 R141 V462	Y80-I137 HydrophobicContact CG-CG1 4.37Å; L84-I137 HydrophobicContact CB-CD1 4.48Å; L84-I137 HydrophobicContact CD2-CD1 4.02Å; N133-I137 VanDerWaalsContact O-CG1 3.28Å; N133-I137 WeakPolarHBondContact O-CG1 3.24Å; N133-I137 PolarHBondContact O-N 3.02Å; L134-I137 HydrophobicContact CD2-CD1 4.44Å; L134-I137 PolarHBondContact O-N 3.37Å; C135-I137 PolarHBondContact O-N 3.38Å; I137-V139 VanDerWaalsContact C-N 3.34Å; I137-V139 PolarHBondContact O-N 3.18Å; I137-D140 PolarHBondContact O-N 2.95Å; I137-R141 HydrophobicContact CG2-CG 4.12Å; I137-R141 WeakPolarHBondContact O-CB 3.4Å; I137-R141 VanDerWaalsContact O-CG 3.27Å; I137-R141 WeakPolarHBondContact O-CG 3.43Å; I137-R141 PolarHBondContact O-N 3.04Å; I137-V462 HydrophobicContact CB-CG1 4.39Å; I137-V462 HydrophobicContact CG2-CB 4.39Å; I137-V462 HydrophobicContact CG2-CG1 3.35Å; I137-V462 HydrophobicContact CG2-CG2 4.14Å
138	S	93.7	Very high	91.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.2	-45.9	179.5	-54.7	0	0	0	0	111.9	L134 C135 C136 R141 Y142 Y219	L134-S138 WeakPolarHBondContact O-CB 3.41Å; L134-S138 PolarHBondContact O-N 3.47Å; L134-S138 PolarHBondContact O-OG 2.92Å; C135-S138 WeakPolarHBondContact O-CB 3.47Å; C135-S138 PolarHBondContact O-N 2.93Å; C136-S138 VanDerWaalsContact C-N 3.34Å; S138-R141 PolarHBondContact O-N 3.21Å; S138-Y142 WeakPolarHBondContact O-CB 3.4Å; S138-Y142 PolarHBondContact O-N 2.77Å; S138-Y219 WeakPolarHBondContact OG-CE2 3.34Å
139	V	92.6	Very high	91	Very high	21 Å²	21	24.1 Å²	24.1	13%	0.127	12%	0.117	C	C	.	.	H	α-helix	trans	-64.6	-45.3	176.6	171.5	0	0	0	0	111.3	C135 C136 I137 R141 Y142 I143 M163 I218 F254	C135-V139 WeakPolarHBondContact O-CG2 3.21Å; C135-V139 PolarHBondContact O-N 3.04Å; C136-V139 PolarHBondContact O-N 3.17Å; I137-V139 VanDerWaalsContact C-N 3.34Å; I137-V139 PolarHBondContact O-N 3.18Å; V139-R141 PolarHBondContact O-N 3.46Å; V139-Y142 PolarHBondContact O-N 3.48Å; V139-I143 HydrophobicContact CG1-CD1 3.79Å; V139-I143 HydrophobicContact CG1-CG1 4.44Å; V139-I143 VanDerWaalsContact O-CG1 3.3Å; V139-I143 WeakPolarHBondContact O-CG1 3.44Å; V139-I143 PolarHBondContact O-N 3.22Å; V139-M163 HydrophobicContact CB-CE 4.29Å; V139-M163 HydrophobicContact CG1-CE 4.15Å; V139-I218 HydrophobicContact CG2-CD1 4.13Å; V139-F254 HydrophobicContact CG1-CE1 4.01Å; V139-F254 HydrophobicContact CG1-CZ 4.12Å; V139-F254 HydrophobicContact CG2-CZ 4.15Å
140	D	92.9	Very high	90.4	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.043	14%	0.141	C	C	.	.	H	α-helix	trans	-59	-46.3	176.6	170.6	81.9	0	0	0	111.4	Y80 C136 I137 I143 A144 Y151	Y80-D140 HydrophobicContact CD2-CB 4.46Å; Y80-D140 HydrophobicContact CE2-CB 3.96Å; C136-D140 PolarHBondContact O-N 3.48Å; I137-D140 PolarHBondContact O-N 2.95Å; D140-I143 PolarHBondContact O-N 3.45Å; D140-A144 WeakPolarHBondContact O-CB 3.47Å; D140-A144 PolarHBondContact O-N 3.16Å; D140-Y151 WeakPolarHBondContact OD1-CE2 3.46Å; D140-Y151 PolarHBondContact OD1-OH 2.67Å; D140-Y151 PolarHBondContact OD2-OH 3.23Å
141	R	92.5	Very high	90	Very high	3 Å²	3	30 Å²	30	1%	0.011	14%	0.142	C	C	.	.	H	α-helix	trans	-62.8	-42.8	176.2	-65.6	-58.1	81.6	-152.9	-16.5	111.7	I137 S138 V139 I143 A144 I145 Y151 I222 E455 S458 V459 V462	I137-R141 HydrophobicContact CG2-CG 4.12Å; I137-R141 WeakPolarHBondContact O-CB 3.4Å; I137-R141 VanDerWaalsContact O-CG 3.27Å; I137-R141 WeakPolarHBondContact O-CG 3.43Å; I137-R141 PolarHBondContact O-N 3.04Å; S138-R141 PolarHBondContact O-N 3.21Å; V139-R141 PolarHBondContact O-N 3.46Å; R141-I143 PolarHBondContact O-N 3.2Å; R141-A144 PolarHBondContact O-N 3.43Å; R141-I145 WeakPolarHBondContact O-CG1 3.4Å; R141-I145 PolarHBondContact O-N 2.96Å; R141-Y151 PolarHBondContact NH2-OH 2.88Å; R141-I222 HydrophobicContact CB-CD1 4.15Å; R141-E455 IonicContact CZ-OE2 3.07Å; R141-E455 IonicContact NH1-OE2 3.28Å; R141-E455 PolarHBondContact NH1-OE2 2.95Å; R141-E455 IonicContact NH2-OE2 3.07Å; R141-E455 PolarHBondContact NH2-OE2 3.22Å; R141-S458 PolarHBondContact NH1-OG 2.88Å; R141-V459 HydrophobicContact CB-CG2 4.18Å; R141-V459 HydrophobicContact CG-CG2 4.41Å; R141-V462 HydrophobicContact CG-CB 4.46Å; R141-V462 HydrophobicContact CG-CG1 4.45Å; R141-V462 HydrophobicContact CG-CG2 4.46Å
142	Y	91.2	Very high	89.5	Confident	77 Å²	77	33.8 Å²	33.8	30%	0.302	16%	0.161	S	C	.	.	H	α-helix	trans	-59.7	-46.7	177	-179.5	-93.3	0	0	0	111.9	S138 V139 I145 N146 I218 R221 I222	S138-Y142 WeakPolarHBondContact O-CB 3.4Å; S138-Y142 PolarHBondContact O-N 2.77Å; V139-Y142 PolarHBondContact O-N 3.48Å; Y142-I145 PolarHBondContact O-N 2.89Å; Y142-N146 VanDerWaalsContact CD2-ND2 3.25Å; Y142-N146 WeakPolarHBondContact CD2-ND2 3.45Å; Y142-N146 WeakPolarHBondContact CE2-ND2 3.4Å; Y142-N146 VanDerWaalsContact CZ-ND2 3.29Å; Y142-N146 WeakPolarHBondContact O-CB 3.29Å; Y142-N146 PolarHBondContact O-N 3.44Å; Y142-N146 PolarHBondContact O-ND2 3.4Å; Y142-I218 HydrophobicContact CD2-CG2 4.23Å; Y142-I218 HydrophobicContact CG-CG2 4.38Å; Y142-R221 HydrophobicContact CD2-CB 4.47Å; Y142-R221 HydrophobicContact CE2-CB 3.93Å; Y142-I222 HydrophobicContact CD2-CG1 3.99Å
143	I	90.6	Very high	88.8	Confident	63 Å²	63	37 Å²	37	32%	0.323	19%	0.186	S	C	.	.	H	α-helix	trans	-66.4	-41.4	178.9	-62.8	166.9	0	0	0	110.6	V139 D140 R141 I145 Y147 Y151	V139-I143 HydrophobicContact CG1-CD1 3.79Å; V139-I143 HydrophobicContact CG1-CG1 4.44Å; V139-I143 VanDerWaalsContact O-CG1 3.3Å; V139-I143 WeakPolarHBondContact O-CG1 3.44Å; V139-I143 PolarHBondContact O-N 3.22Å; D140-I143 PolarHBondContact O-N 3.45Å; R141-I143 PolarHBondContact O-N 3.2Å; I143-I145 PolarHBondContact O-N 3.05Å; I143-Y147 PolarHBondContact O-N 3.25Å; I143-Y151 HydrophobicContact CB-CD2 4.39Å; I143-Y151 HydrophobicContact CG2-CD2 3.93Å
144	A	89.7	Confident	87.9	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-59.7	-44.6	178.1	0	0	0	0	0	112.3	D140 R141 P148 Y151	D140-A144 WeakPolarHBondContact O-CB 3.47Å; D140-A144 PolarHBondContact O-N 3.16Å; R141-A144 PolarHBondContact O-N 3.43Å; A144-P148 WeakPolarHBondContact O-CA 3.14Å; A144-Y151 HydrophobicContact CB-CD1 3.69Å; A144-Y151 HydrophobicContact CB-CD2 4.01Å; A144-Y151 HydrophobicContact CB-CE1 3.53Å; A144-Y151 HydrophobicContact CB-CE2 3.87Å; A144-Y151 HydrophobicContact CB-CG 3.92Å
145	I	87.6	Confident	87.5	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-72.7	-48.6	178.7	-67.4	-59.1	0	0	0	111.1	R141 Y142 I143 I222 V225 I226 R229 F452 E455 V459	R141-I145 WeakPolarHBondContact O-CG1 3.4Å; R141-I145 PolarHBondContact O-N 2.96Å; Y142-I145 PolarHBondContact O-N 2.89Å; I143-I145 PolarHBondContact O-N 3.05Å; I145-I222 HydrophobicContact CG1-CG2 4.45Å; I145-V225 HydrophobicContact CG2-CB 4.25Å; I145-V225 HydrophobicContact CG2-CG1 3.64Å; I145-I226 HydrophobicContact CD1-CD1 4.42Å; I145-I226 HydrophobicContact CD1-CG1 4.49Å; I145-I226 HydrophobicContact CG2-CG1 4.11Å; I145-R229 VanDerWaalsContact O-CZ 3.24Å; I145-R229 PolarHBondContact O-NH1 3Å; I145-R229 PolarHBondContact O-NH2 3.23Å; I145-F452 HydrophobicContact CD1-CE2 4.37Å; I145-F452 HydrophobicContact CG2-CE2 4.37Å; I145-E455 HydrophobicContact CD1-CB 3.98Å; I145-V459 HydrophobicContact CD1-CG2 3.8Å; I145-V459 HydrophobicContact CG1-CG2 3.65Å
146	N	85.1	Confident	87.4	Confident	26 Å²	26	47.9 Å²	47.9	14%	0.139	24%	0.236	C	C	.	.	H	α-helix	trans	-71.1	-36.6	-174.7	-75.9	-77	0	0	0	112.9	Y142 V225 R229	Y142-N146 VanDerWaalsContact CD2-ND2 3.25Å; Y142-N146 WeakPolarHBondContact CD2-ND2 3.45Å; Y142-N146 WeakPolarHBondContact CE2-ND2 3.4Å; Y142-N146 VanDerWaalsContact CZ-ND2 3.29Å; Y142-N146 WeakPolarHBondContact O-CB 3.29Å; Y142-N146 PolarHBondContact O-N 3.44Å; Y142-N146 PolarHBondContact O-ND2 3.4Å; N146-V225 WeakPolarHBondContact OD1-CG2 3.39Å; N146-R229 PolarHBondContact O-NH2 3.37Å
147	Y	84.1	Confident	87.3	Confident	120 Å²	120	54.5 Å²	54.5	47%	0.471	26%	0.258	S	S	.	.			trans	-131.9	62.3	-172.4	-51.8	-71	0	0	0	113.3	I143 M149 K150 Y151	I143-Y147 PolarHBondContact O-N 3.25Å; Y147-M149 VanDerWaalsContact C-N 3.35Å; Y147-M149 PolarHBondContact O-N 3.14Å; Y147-K150 HydrophobicContact CD1-CD 4.43Å; Y147-K150 PolarHBondContact O-N 3.44Å; Y147-Y151 VanDerWaalsContact O-CB 3.29Å; Y147-Y151 WeakPolarHBondContact O-CB 3.4Å; Y147-Y151 PolarHBondContact O-N 2.93Å
148	P	81.5	Confident	87.2	Confident	20 Å²	20	64.2 Å²	64.2	13%	0.13	30%	0.295	C	S	.	.	H	α-helix	trans	-56.2	-42.6	-169	20.8	-33.5	0	0	0	113.9	A144 Y151 I152 I451	A144-P148 WeakPolarHBondContact O-CA 3.14Å; P148-Y151 PolarHBondContact O-N 3.38Å; P148-I152 WeakPolarHBondContact O-CG1 3.01Å; P148-I152 PolarHBondContact O-N 3.33Å; P148-I451 HydrophobicContact CB-CG2 4.11Å
149	M	79.6	Confident	87.1	Confident	87 Å²	87	66.2 Å²	66.2	43%	0.429	31%	0.307	S	S	.	.	H	α-helix	trans	-70.2	-40.1	179.4	-63	-57.3	-63.3	0	0	112.5	Y147 Y151 S153 K448	Y147-M149 VanDerWaalsContact C-N 3.35Å; Y147-M149 PolarHBondContact O-N 3.14Å; M149-Y151 VanDerWaalsContact C-N 3.35Å; M149-S153 WeakPolarHBondContact O-CB 3.44Å; M149-S153 PolarHBondContact O-N 3.46Å; M149-K448 HydrophobicContact CG-CD 4.49Å; M149-K448 HydrophobicContact CG-CG 4.32Å; M149-K448 HydrophobicContact SD-CG 3.91Å
150	K	83.7	Confident	87.2	Confident	119 Å²	119	65.2 Å²	65.2	52%	0.517	30%	0.301	S	S	.	.	H	α-helix	trans	-69.3	-38.7	176.8	-64.1	-179.1	-179.5	173.7	0	110.1	Y147 S153 K154	Y147-K150 HydrophobicContact CD1-CD 4.43Å; Y147-K150 PolarHBondContact O-N 3.44Å; K150-S153 PolarHBondContact O-N 2.94Å; K150-K154 VanDerWaalsContact O-CB 3.26Å; K150-K154 WeakPolarHBondContact O-CB 3.15Å; K150-K154 WeakPolarHBondContact O-CG 3.42Å; K150-K154 PolarHBondContact O-N 3.39Å
151	Y	85.8	Confident	87.4	Confident	10 Å²	10	70.7 Å²	70.7	4%	0.039	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-53.6	177.2	178.5	-108.3	0	0	0	111.2	T77 D140 R141 I143 A144 Y147 P148 M149 S153 K154 R155	T77-Y151 WeakPolarHBondContact CG2-OH 3.33Å; D140-Y151 WeakPolarHBondContact OD1-CE2 3.46Å; D140-Y151 PolarHBondContact OD1-OH 2.67Å; D140-Y151 PolarHBondContact OD2-OH 3.23Å; R141-Y151 PolarHBondContact NH2-OH 2.88Å; I143-Y151 HydrophobicContact CB-CD2 4.39Å; I143-Y151 HydrophobicContact CG2-CD2 3.93Å; A144-Y151 HydrophobicContact CB-CD1 3.69Å; A144-Y151 HydrophobicContact CB-CD2 4.01Å; A144-Y151 HydrophobicContact CB-CE1 3.53Å; A144-Y151 HydrophobicContact CB-CE2 3.87Å; A144-Y151 HydrophobicContact CB-CG 3.92Å; Y147-Y151 VanDerWaalsContact O-CB 3.29Å; Y147-Y151 WeakPolarHBondContact O-CB 3.4Å; Y147-Y151 PolarHBondContact O-N 2.93Å; P148-Y151 PolarHBondContact O-N 3.38Å; M149-Y151 VanDerWaalsContact C-N 3.35Å; Y151-S153 VanDerWaalsContact C-N 3.28Å; Y151-S153 PolarHBondContact O-N 2.96Å; Y151-K154 PolarHBondContact O-N 2.87Å; Y151-R155 HydrophobicContact CD2-CB 4.41Å; Y151-R155 VanDerWaalsContact CE1-NH1 3.27Å; Y151-R155 HydrophobicContact CE2-CB 4.31Å; Y151-R155 HydrophobicContact CE2-CG 4.23Å; Y151-R155 WeakPolarHBondContact O-CB 3.44Å; Y151-R155 PolarHBondContact O-N 2.92Å; Y151-R155 WeakPolarHBondContact OH-CD 3.35Å; Y151-R155 PolarHBondContact OH-NH1 3.47Å; Y151-R155 VanDerWaalsContact OH-NH1 3.13Å
152	I	81.5	Confident	87.5	Confident	81 Å²	81	77 Å²	77	42%	0.415	36%	0.358	S	S	.	.	H	α-helix	trans	-59.8	-39.9	179.1	-69.6	168.4	0	0	0	111.6	P148 I451	P148-I152 WeakPolarHBondContact O-CG1 3.01Å; P148-I152 PolarHBondContact O-N 3.33Å; I152-I451 HydrophobicContact CD1-CB 4.43Å; I152-I451 HydrophobicContact CD1-CD1 3.36Å; I152-I451 HydrophobicContact CD1-CG1 3.87Å; I152-I451 HydrophobicContact CD1-CG2 3.7Å
153	S	79.6	Confident	87.8	Confident	103 Å²	103	76.1 Å²	76.1	72%	0.72	36%	0.357	S	S	*	.	H	α-helix	trans	-74.1	-27.6	-178.9	-179.8	0	0	0	0	114.1	M149 K150 Y151	M149-S153 WeakPolarHBondContact O-CB 3.44Å; M149-S153 PolarHBondContact O-N 3.46Å; K150-S153 PolarHBondContact O-N 2.94Å; Y151-S153 VanDerWaalsContact C-N 3.28Å; Y151-S153 PolarHBondContact O-N 2.96Å
154	K	78.5	Confident	88.1	Confident	111 Å²	111	74 Å²	74	48%	0.483	35%	0.346	S	S	.	.	H	α-helix	trans	-110.4	-15.8	-172.2	-66.9	-170.8	174.2	-167.6	0	114.3	K150 Y151 T156	K150-K154 VanDerWaalsContact O-CB 3.26Å; K150-K154 WeakPolarHBondContact O-CB 3.15Å; K150-K154 WeakPolarHBondContact O-CG 3.42Å; K150-K154 PolarHBondContact O-N 3.39Å; Y151-K154 PolarHBondContact O-N 2.87Å; K154-T156 PolarHBondContact O-N 3.23Å
155	R	84.5	Confident	88.5	Confident	72 Å²	72	75.3 Å²	75.3	27%	0.272	36%	0.359	S	S	.	.			trans	-67.3	114.7	-179.9	-177.7	-175.8	70.1	-174.2	-5.4	109.6	I76 Y151	I76-R155 HydrophobicContact CB-CG 4.11Å; I76-R155 HydrophobicContact CD1-CG 3.69Å; I76-R155 HydrophobicContact CG1-CG 4.49Å; I76-R155 HydrophobicContact CG2-CG 3.8Å; Y151-R155 HydrophobicContact CD2-CB 4.41Å; Y151-R155 VanDerWaalsContact CE1-NH1 3.27Å; Y151-R155 HydrophobicContact CE2-CB 4.31Å; Y151-R155 HydrophobicContact CE2-CG 4.23Å; Y151-R155 WeakPolarHBondContact O-CB 3.44Å; Y151-R155 PolarHBondContact O-N 2.92Å; Y151-R155 WeakPolarHBondContact OH-CD 3.35Å; Y151-R155 PolarHBondContact OH-NH1 3.47Å; Y151-R155 VanDerWaalsContact OH-NH1 3.13Å
156	T	91.2	Very high	89	Confident	61 Å²	61	76.5 Å²	76.5	37%	0.374	37%	0.372	S	S	.	.			trans	-124	159.8	177.1	68.7	0	0	0	0	111	K154 R158 T159 A160	K154-T156 PolarHBondContact O-N 3.23Å; T156-R158 VanDerWaalsContact C-N 3.26Å; T156-R158 PolarHBondContact O-N 3.11Å; T156-T159 PolarHBondContact N-OG1 3.3Å; T156-T159 PolarHBondContact O-N 3.41Å; T156-T159 PolarHBondContact O-OG1 3.21Å; T156-T159 WeakPolarHBondContact OG1-CG2 3.47Å; T156-T159 PolarHBondContact OG1-N 3.48Å; T156-T159 PolarHBondContact OG1-OG1 3.27Å; T156-T159 VanDerWaalsContact OG1-OG1 3.12Å; T156-A160 PolarHBondContact O-N 2.82Å
157	R	92.3	Very high	89.5	Confident	155 Å²	155	75.4 Å²	75.4	59%	0.585	37%	0.367	S	S	*	.	H	α-helix	trans	-62	-36.3	171.5	-72.3	-176.5	177.4	175.1	-0.7	111.8	I76 L79 T159 A160 F161	I76-R157 HydrophobicContact CD1-CG 4.33Å; I76-R157 HydrophobicContact CG1-CG 3.94Å; L79-R157 HydrophobicContact CD1-CG 4.4Å; R157-T159 PolarHBondContact O-N 3.23Å; R157-A160 PolarHBondContact O-N 2.95Å; R157-F161 HydrophobicContact CB-CD2 4.34Å; R157-F161 HydrophobicContact CB-CE2 4.19Å; R157-F161 WeakPolarHBondContact O-CD2 3.48Å; R157-F161 PolarHBondContact O-N 3.29Å
158	R	93.2	Very high	90.2	Very high	209 Å²	209	71.8 Å²	71.8	79%	0.789	35%	0.352	S	S	*	.	H	α-helix	trans	-60	-46.4	179.1	-67.8	-175.5	-178.9	175.4	-0.8	112.1	T156 A160 F161 L162	T156-R158 VanDerWaalsContact C-N 3.26Å; T156-R158 PolarHBondContact O-N 3.11Å; R158-A160 VanDerWaalsContact C-N 3.28Å; R158-A160 PolarHBondContact O-N 3.24Å; R158-F161 PolarHBondContact O-N 2.92Å; R158-L162 WeakPolarHBondContact O-CG 3.09Å; R158-L162 PolarHBondContact O-N 3.42Å
159	T	92.1	Very high	90.9	Very high	42 Å²	42	75.7 Å²	75.7	26%	0.258	37%	0.371	S	S	.	.	H	α-helix	trans	-62.8	-36.8	177.2	49.3	0	0	0	0	111.9	T156 R157 L162 M163	T156-T159 PolarHBondContact N-OG1 3.3Å; T156-T159 PolarHBondContact O-N 3.41Å; T156-T159 PolarHBondContact O-OG1 3.21Å; T156-T159 WeakPolarHBondContact OG1-CG2 3.47Å; T156-T159 PolarHBondContact OG1-N 3.48Å; T156-T159 PolarHBondContact OG1-OG1 3.27Å; T156-T159 VanDerWaalsContact OG1-OG1 3.12Å; R157-T159 PolarHBondContact O-N 3.23Å; T159-L162 PolarHBondContact O-N 3.33Å; T159-M163 WeakPolarHBondContact O-CG 3.3Å; T159-M163 PolarHBondContact O-N 3.04Å; T159-M163 VanDerWaalsContact O-N 3.09Å
160	A	94.3	Very high	91.6	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-67.1	-45.4	175.8	0	0	0	0	0	112.5	I76 L79 Y80 T156 R157 R158 L162 M163 I164	I76-A160 HydrophobicContact CG2-CB 3.66Å; L79-A160 HydrophobicContact CD1-CB 4.45Å; Y80-A160 HydrophobicContact CE1-CB 4.37Å; Y80-A160 HydrophobicContact CE2-CB 4.09Å; Y80-A160 WeakPolarHBondContact OH-CA 3.49Å; T156-A160 PolarHBondContact O-N 2.82Å; R157-A160 PolarHBondContact O-N 2.95Å; R158-A160 VanDerWaalsContact C-N 3.28Å; R158-A160 PolarHBondContact O-N 3.24Å; A160-L162 VanDerWaalsContact C-N 3.32Å; A160-L162 PolarHBondContact O-N 3.09Å; A160-M163 PolarHBondContact O-N 3.22Å; A160-I164 WeakPolarHBondContact O-CB 3.45Å; A160-I164 WeakPolarHBondContact O-CG1 3.47Å; A160-I164 PolarHBondContact O-N 3.35Å
161	F	96.3	Very high	92.1	Very high	123 Å²	123	70.2 Å²	70.2	54%	0.539	35%	0.348	S	S	.	.	H	α-helix	trans	-62	-37	175.3	-75.5	-61.2	0	0	0	113	L79 R157 R158 G165	L79-F161 HydrophobicContact CD1-CZ 4.4Å; R157-F161 HydrophobicContact CB-CD2 4.34Å; R157-F161 HydrophobicContact CB-CE2 4.19Å; R157-F161 WeakPolarHBondContact O-CD2 3.48Å; R157-F161 PolarHBondContact O-N 3.29Å; R158-F161 PolarHBondContact O-N 2.92Å; F161-G165 PolarHBondContact O-N 3.16Å
162	L	96.2	Very high	92.5	Very high	135 Å²	135	73.4 Å²	73.4	71%	0.707	37%	0.365	S	S	*	.	H	α-helix	trans	-65.8	-41.9	174.9	-71.9	173.4	0	0	0	112.3	R158 T159 A160 G166	R158-L162 WeakPolarHBondContact O-CG 3.09Å; R158-L162 PolarHBondContact O-N 3.42Å; T159-L162 PolarHBondContact O-N 3.33Å; A160-L162 VanDerWaalsContact C-N 3.32Å; A160-L162 PolarHBondContact O-N 3.09Å; L162-G166 PolarHBondContact O-N 3.4Å
163	M	96	Very high	92.9	Very high	59 Å²	59	74.9 Å²	74.9	29%	0.291	37%	0.374	S	S	.	.	H	α-helix	trans	-65.6	-46.3	176.2	-73.1	176.2	66.3	0	0	111.7	Y80 C136 V139 T159 A160 G166 A167	Y80-M163 HydrophobicContact CE1-CB 3.95Å; Y80-M163 HydrophobicContact CE1-CE 4.21Å; Y80-M163 HydrophobicContact CE1-SD 4.33Å; Y80-M163 PolarHBondContact OH-SD 3.13Å; C136-M163 HydrophobicContact CB-CE 4.1Å; V139-M163 HydrophobicContact CB-CE 4.29Å; V139-M163 HydrophobicContact CG1-CE 4.15Å; T159-M163 WeakPolarHBondContact O-CG 3.3Å; T159-M163 PolarHBondContact O-N 3.04Å; T159-M163 VanDerWaalsContact O-N 3.09Å; A160-M163 PolarHBondContact O-N 3.22Å; M163-G166 PolarHBondContact O-N 2.99Å; M163-A167 PolarHBondContact O-N 3.07Å
164	I	97.9	Very high	93.2	Very high	19 Å²	19	71.9 Å²	71.9	10%	0.097	35%	0.351	C	S	.	.	H	α-helix	trans	-61	-52.2	176.8	-71	166.5	0	0	0	110	L79 Y80 S83 A160 G166 A167 W168	L79-I164 HydrophobicContact CB-CD1 4.2Å; Y80-I164 HydrophobicContact CD1-CD1 4Å; Y80-I164 HydrophobicContact CD1-CG1 3.7Å; Y80-I164 HydrophobicContact CE1-CD1 4.39Å; Y80-I164 HydrophobicContact CE1-CG1 4Å; S83-I164 VanDerWaalsContact OG-CG2 3.29Å; S83-I164 WeakPolarHBondContact OG-CG2 3.36Å; A160-I164 WeakPolarHBondContact O-CB 3.45Å; A160-I164 WeakPolarHBondContact O-CG1 3.47Å; A160-I164 PolarHBondContact O-N 3.35Å; I164-G166 VanDerWaalsContact C-N 3.27Å; I164-G166 PolarHBondContact O-N 3.07Å; I164-A167 WeakPolarHBondContact O-CB 3.4Å; I164-A167 PolarHBondContact O-N 3.05Å; I164-W168 PolarHBondContact O-N 3.04Å
165	G	97.9	Very high	93.5	Very high	27 Å²	27	68.5 Å²	68.5	28%	0.278	34%	0.337	S	S	.	.	H	α-helix	trans	-58	-40.1	177.8	0	0	0	0	0	112.4	F161 W168 I169	F161-G165 PolarHBondContact O-N 3.16Å; G165-W168 PolarHBondContact O-N 3Å; G165-I169 WeakPolarHBondContact O-CB 3.38Å; G165-I169 WeakPolarHBondContact O-CD1 3.44Å; G165-I169 WeakPolarHBondContact O-CG1 3.44Å; G165-I169 PolarHBondContact O-N 2.84Å
166	G	97.4	Very high	93.3	Very high	27 Å²	27	68 Å²	68	28%	0.278	34%	0.342	S	S	.	.	H	α-helix	trans	-60.8	-43.5	173	0	0	0	0	0	113	L162 M163 I164 I169 I170	L162-G166 PolarHBondContact O-N 3.4Å; M163-G166 PolarHBondContact O-N 2.99Å; I164-G166 VanDerWaalsContact C-N 3.27Å; I164-G166 PolarHBondContact O-N 3.07Å; G166-I169 PolarHBondContact O-N 2.9Å; G166-I170 WeakPolarHBondContact O-CB 3.46Å; G166-I170 WeakPolarHBondContact O-CD1 3.47Å; G166-I170 WeakPolarHBondContact O-CG1 3.49Å; G166-I170 PolarHBondContact O-N 3.44Å
167	A	96.6	Very high	92.6	Very high	4 Å²	4	68 Å²	68	3%	0.033	34%	0.343	C	S	.	.	H	α-helix	trans	-58.1	-51.2	174.9	0	0	0	0	0	111.2	L132 M163 I164 I169 I170 S171	L132-A167 HydrophobicContact CB-CB 3.72Å; L132-A167 WeakPolarHBondContact CD1-O 3.49Å; M163-A167 PolarHBondContact O-N 3.07Å; I164-A167 WeakPolarHBondContact O-CB 3.4Å; I164-A167 PolarHBondContact O-N 3.05Å; A167-I169 PolarHBondContact O-N 3.05Å; A167-I170 PolarHBondContact O-N 3.23Å; A167-S171 WeakPolarHBondContact O-CB 3.18Å; A167-S171 PolarHBondContact O-N 3.38Å; A167-S171 PolarHBondContact O-OG 3.27Å
168	W	97.9	Very high	91.5	Very high	44 Å²	44	60.8 Å²	60.8	17%	0.167	32%	0.316	C	S	.	.	H	α-helix	trans	-62.2	-42.7	179	-74.1	99.6	0	0	0	113.2	S83 L86 A87 L90 F125 L126 A129 I164 G165 S171 L172	S83-W168 PolarHBondContact OG-NE1 3.44Å; L86-W168 HydrophobicContact CD2-CZ2 4.23Å; L86-W168 HydrophobicContact CG-CZ2 4.35Å; A87-W168 HydrophobicContact CB-CH2 3.9Å; A87-W168 HydrophobicContact CB-CZ2 4.13Å; L90-W168 HydrophobicContact CD1-CH2 3.99Å; L90-W168 HydrophobicContact CD1-CZ3 4.33Å; F125-W168 HydrophobicContact CE1-CE3 4.44Å; F125-W168 HydrophobicContact CE1-CZ3 4.14Å; F125-W168 AromaticContact CE2-CE3 3.89Å; F125-W168 HydrophobicContact CE2-CE3 3.89Å; F125-W168 HydrophobicContact CE2-CZ3 4.29Å; F125-W168 AromaticContact CZ-CE3 3.49Å; F125-W168 HydrophobicContact CZ-CE3 3.49Å; F125-W168 VanDerWaalsContact CZ-CE3 3.49Å; F125-W168 AromaticContact CZ-CZ3 3.61Å; F125-W168 HydrophobicContact CZ-CZ3 3.61Å; L126-W168 HydrophobicContact CD2-CZ3 4.24Å; A129-W168 HydrophobicContact CB-CD2 4.4Å; A129-W168 HydrophobicContact CB-CE3 3.95Å; A129-W168 HydrophobicContact CB-CH2 4.29Å; A129-W168 HydrophobicContact CB-CZ3 3.91Å; I164-W168 PolarHBondContact O-N 3.04Å; G165-W168 PolarHBondContact O-N 3Å; W168-S171 PolarHBondContact O-N 2.9Å; W168-L172 WeakPolarHBondContact O-CG 3.43Å; W168-L172 PolarHBondContact O-N 3.01Å
169	I	97	Very high	90.6	Very high	102 Å²	102	54.1 Å²	54.1	52%	0.523	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-45.7	178.5	-69.1	165.1	0	0	0	110.8	G165 G166 A167 S171 L172 L173	G165-I169 WeakPolarHBondContact O-CB 3.38Å; G165-I169 WeakPolarHBondContact O-CD1 3.44Å; G165-I169 WeakPolarHBondContact O-CG1 3.44Å; G165-I169 PolarHBondContact O-N 2.84Å; G166-I169 PolarHBondContact O-N 2.9Å; A167-I169 PolarHBondContact O-N 3.05Å; I169-S171 VanDerWaalsContact C-N 3.3Å; I169-S171 PolarHBondContact O-N 3.27Å; I169-L172 WeakPolarHBondContact O-CB 3.39Å; I169-L172 PolarHBondContact O-N 3.3Å; I169-L173 HydrophobicContact CG2-CD1 4.41Å; I169-L173 WeakPolarHBondContact O-CG 3.32Å; I169-L173 PolarHBondContact O-N 3.41Å
170	I	94.3	Very high	89.7	Confident	91 Å²	91	59.3 Å²	59.3	47%	0.467	32%	0.315	S	S	.	.	H	α-helix	trans	-62.7	-41.3	177.9	-65.7	165.2	0	0	0	109.9	L132 G166 A167 L172 L173 V174	L132-I170 HydrophobicContact CD1-CB 3.66Å; L132-I170 HydrophobicContact CD1-CG2 3.49Å; L132-I170 VanDerWaalsContact CD1-CG2 3.49Å; G166-I170 WeakPolarHBondContact O-CB 3.46Å; G166-I170 WeakPolarHBondContact O-CD1 3.47Å; G166-I170 WeakPolarHBondContact O-CG1 3.49Å; G166-I170 PolarHBondContact O-N 3.44Å; A167-I170 PolarHBondContact O-N 3.23Å; I170-L172 VanDerWaalsContact C-N 3.35Å; I170-L172 PolarHBondContact O-N 3.21Å; I170-L173 WeakPolarHBondContact O-CB 3.44Å; I170-L173 PolarHBondContact O-N 3.14Å; I170-L173 VanDerWaalsContact O-N 3.13Å; I170-V174 WeakPolarHBondContact O-CG2 3.4Å; I170-V174 PolarHBondContact O-N 3.33Å
171	S	94.3	Very high	88.3	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61.8	-40.4	174.7	-56.7	0	0	0	0	112.8	S128 A129 L132 A167 W168 I169 L173 V174 M175	S128-S171 PolarHBondContact O-OG 3Å; A129-S171 WeakPolarHBondContact CA-OG 3.21Å; A129-S171 PolarHBondContact N-OG 2.89Å; L132-S171 WeakPolarHBondContact CD1-OG 3.27Å; A167-S171 WeakPolarHBondContact O-CB 3.18Å; A167-S171 PolarHBondContact O-N 3.38Å; A167-S171 PolarHBondContact O-OG 3.27Å; W168-S171 PolarHBondContact O-N 2.9Å; I169-S171 VanDerWaalsContact C-N 3.3Å; I169-S171 PolarHBondContact O-N 3.27Å; S171-L173 VanDerWaalsContact C-N 3.28Å; S171-L173 PolarHBondContact O-N 3.47Å; S171-V174 WeakPolarHBondContact O-CB 3.48Å; S171-V174 PolarHBondContact O-N 2.86Å; S171-M175 PolarHBondContact O-N 3.06Å
172	L	93.2	Very high	86.5	Confident	76 Å²	76	65.3 Å²	65.3	40%	0.398	35%	0.351	S	S	.	.	H	α-helix	trans	-62.4	-36	173.7	-76.3	170.9	0	0	0	111.6	F125 W168 I169 I170 V174 M175	F125-L172 HydrophobicContact CD1-CD2 4.43Å; F125-L172 HydrophobicContact CD2-CD2 3.77Å; F125-L172 HydrophobicContact CD2-CG 4.02Å; F125-L172 HydrophobicContact CE1-CD2 4.09Å; F125-L172 HydrophobicContact CE2-CB 4.3Å; F125-L172 HydrophobicContact CE2-CD2 3.41Å; F125-L172 VanDerWaalsContact CE2-CD2 3.41Å; F125-L172 HydrophobicContact CE2-CG 3.44Å; F125-L172 VanDerWaalsContact CE2-CG 3.44Å; F125-L172 HydrophobicContact CG-CD2 4.26Å; F125-L172 HydrophobicContact CZ-CD2 3.55Å; F125-L172 HydrophobicContact CZ-CG 3.9Å; W168-L172 WeakPolarHBondContact O-CG 3.43Å; W168-L172 PolarHBondContact O-N 3.01Å; I169-L172 WeakPolarHBondContact O-CB 3.39Å; I169-L172 PolarHBondContact O-N 3.3Å; I170-L172 VanDerWaalsContact C-N 3.35Å; I170-L172 PolarHBondContact O-N 3.21Å; L172-V174 VanDerWaalsContact C-N 3.34Å; L172-M175 HydrophobicContact CD2-CE 4.1Å; L172-M175 WeakPolarHBondContact O-CB 3.16Å; L172-M175 PolarHBondContact O-N 3.12Å
173	L	91.2	Very high	84.6	Confident	113 Å²	113	63.3 Å²	63.3	59%	0.592	34%	0.338	S	S	*	.	H	α-helix	trans	-68.5	-34.1	175.8	-67	173.6	0	0	0	112.1	I169 I170 S171 M175 V176 P177	I169-L173 HydrophobicContact CG2-CD1 4.41Å; I169-L173 WeakPolarHBondContact O-CG 3.32Å; I169-L173 PolarHBondContact O-N 3.41Å; I170-L173 WeakPolarHBondContact O-CB 3.44Å; I170-L173 PolarHBondContact O-N 3.14Å; I170-L173 VanDerWaalsContact O-N 3.13Å; S171-L173 VanDerWaalsContact C-N 3.28Å; S171-L173 PolarHBondContact O-N 3.47Å; L173-M175 PolarHBondContact O-N 3.21Å; L173-V176 WeakPolarHBondContact O-CB 3.21Å; L173-V176 PolarHBondContact O-N 2.89Å; L173-V176 VanDerWaalsContact O-N 3.16Å; L173-P177 WeakPolarHBondContact O-CD 3.45Å
174	V	85.6	Confident	82.8	Confident	40 Å²	40	61.5 Å²	61.5	24%	0.242	33%	0.329	C	S	.	.	H	α-helix	trans	-65.5	-23.6	173.4	175.5	0	0	0	0	112	V124 I170 S171 L172 V176 P177 I207	V124-V174 HydrophobicContact CG1-CG1 3.79Å; I170-V174 WeakPolarHBondContact O-CG2 3.4Å; I170-V174 PolarHBondContact O-N 3.33Å; S171-V174 WeakPolarHBondContact O-CB 3.48Å; S171-V174 PolarHBondContact O-N 2.86Å; L172-V174 VanDerWaalsContact C-N 3.34Å; V174-V176 VanDerWaalsContact C-N 3.31Å; V174-P177 WeakPolarHBondContact O-CD 3.41Å; V174-I207 HydrophobicContact CG1-CD1 3.39Å; V174-I207 HydrophobicContact CG1-CG1 3.65Å
175	M	83.3	Confident	80.9	Confident	40 Å²	40	64.6 Å²	64.6	20%	0.197	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-20.7	174.4	-167.2	-177.5	65.5	0	0	113.5	S121 F125 S171 L172 L173 P178 I179	S121-M175 WeakPolarHBondContact O-CG 3.37Å; F125-M175 HydrophobicContact CB-CB 4.09Å; F125-M175 HydrophobicContact CB-CG 4.07Å; F125-M175 HydrophobicContact CB-SD 3.91Å; F125-M175 HydrophobicContact CG-SD 4.29Å; S171-M175 PolarHBondContact O-N 3.06Å; L172-M175 HydrophobicContact CD2-CE 4.1Å; L172-M175 WeakPolarHBondContact O-CB 3.16Å; L172-M175 PolarHBondContact O-N 3.12Å; L173-M175 PolarHBondContact O-N 3.21Å; M175-P178 VanDerWaalsContact O-CD 3.32Å; M175-P178 WeakPolarHBondContact O-CD 3.32Å; M175-I179 HydrophobicContact CE-CD1 3.73Å; M175-I179 HydrophobicContact CG-CD1 3.89Å; M175-I179 WeakPolarHBondContact O-CG1 3.35Å; M175-I179 HydrophobicContact SD-CD1 4.23Å
176	V	81.1	Confident	79.2	Confident	60 Å²	60	64.7 Å²	64.7	36%	0.364	34%	0.338	S	S	.	.	H	α-helix	trans	-67	-47.4	-172.1	175.4	0	0	0	0	112.9	L173 V174 I179 F180	L173-V176 WeakPolarHBondContact O-CB 3.21Å; L173-V176 PolarHBondContact O-N 2.89Å; L173-V176 VanDerWaalsContact O-N 3.16Å; V174-V176 VanDerWaalsContact C-N 3.31Å; V176-I179 PolarHBondContact O-N 3.07Å; V176-F180 HydrophobicContact CG1-CD2 3.65Å; V176-F180 HydrophobicContact CG1-CE2 3.86Å; V176-F180 WeakPolarHBondContact O-CD2 3.47Å; V176-F180 PolarHBondContact O-N 3.06Å
177	P	75.7	Confident	77.2	Confident	62 Å²	62	65.3 Å²	65.3	40%	0.403	35%	0.345	S	S	.	.	H	α-helix	trans	-60.1	-40.9	-177.5	-21.6	33.1	0	0	0	114.1	L173 V174 I179 F180 G181 Y199	L173-P177 WeakPolarHBondContact O-CD 3.45Å; V174-P177 WeakPolarHBondContact O-CD 3.41Å; P177-I179 VanDerWaalsContact C-N 3.3Å; P177-I179 PolarHBondContact O-N 3.34Å; P177-F180 PolarHBondContact O-N 3.23Å; P177-G181 WeakPolarHBondContact O-CA 3.24Å; P177-G181 PolarHBondContact O-N 2.77Å; P177-Y199 HydrophobicContact CB-CE2 3.74Å
178	P	69.6	Low	75.5	Confident	3 Å²	3	71.1 Å²	71.1	2%	0.019	38%	0.38	C	S	.	.	H	α-helix	trans	-58.1	-36	171	-26.7	33.5	0	0	0	114.3	M175 H184 Y199	M175-P178 VanDerWaalsContact O-CD 3.32Å; M175-P178 WeakPolarHBondContact O-CD 3.32Å; P178-H184 PolarHBondContact O-NE2 3.11Å; P178-Y199 WeakPolarHBondContact CD-OH 3.33Å; P178-Y199 WeakPolarHBondContact CG-OH 3.27Å
179	I	75.2	Confident	74.1	Confident	70 Å²	70	69.8 Å²	69.8	36%	0.359	38%	0.379	S	S	.	.	H	α-helix	trans	-71.3	-40.1	-176.4	-67.1	170.9	0	0	0	111.9	S121 M175 V176 P177	S121-I179 WeakPolarHBondContact OG-CG1 3.4Å; M175-I179 HydrophobicContact CE-CD1 3.73Å; M175-I179 HydrophobicContact CG-CD1 3.89Å; M175-I179 WeakPolarHBondContact O-CG1 3.35Å; M175-I179 HydrophobicContact SD-CD1 4.23Å; V176-I179 PolarHBondContact O-N 3.07Å; P177-I179 VanDerWaalsContact C-N 3.3Å; P177-I179 PolarHBondContact O-N 3.34Å
180	F	73.4	Confident	72.9	Confident	151 Å²	151	72.7 Å²	72.7	66%	0.662	38%	0.383	S	S	*	.	H	α-helix	trans	-97.2	-5.4	-177.7	-65.1	-79.7	0	0	0	113.7	V176 P177 F182	V176-F180 HydrophobicContact CG1-CD2 3.65Å; V176-F180 HydrophobicContact CG1-CE2 3.86Å; V176-F180 WeakPolarHBondContact O-CD2 3.47Å; V176-F180 PolarHBondContact O-N 3.06Å; P177-F180 PolarHBondContact O-N 3.23Å; F180-F182 PolarHBondContact O-N 3.46Å
181	G	63.5	Low	72.4	Confident	35 Å²	35	68.4 Å²	68.4	36%	0.361	36%	0.362	S	S	.	.			trans	-65.8	115.9	176	0	0	0	0	0	110.3	P177 Q183	P177-G181 WeakPolarHBondContact O-CA 3.24Å; P177-G181 PolarHBondContact O-N 2.77Å; G181-Q183 PolarHBondContact O-N 2.7Å
182	F	58.4	Low	71.5	Confident	213 Å²	213	71.6 Å²	71.6	93%	0.934	37%	0.374	S	S	*	.	S	Bend	trans	-64.3	19.2	-177.4	-72.6	-77.3	0	0	0	115.7	F180	F180-F182 PolarHBondContact O-N 3.46Å
183	Q	56.3	Low	70.4	Confident	93 Å²	93	69.1 Å²	69.1	44%	0.435	36%	0.361	S	S	.	.			trans	-148.9	36.1	-157	-58.5	-163.8	-4.1	0	0	115.1	G181 R194	G181-Q183 PolarHBondContact O-N 2.7Å; Q183-R194 CarbonylContact O-C 3.59Å; Q183-R194 VanDerWaalsContact O-C 3.26Å; Q183-R194 WeakPolarHBondContact O-CB 3.13Å; Q183-R194 WeakPolarHBondContact O-CD 3.41Å; Q183-R194 WeakPolarHBondContact O-CG 3.4Å
184	H	60.1	Low	69.1	Low	21 Å²	21	68.9 Å²	68.9	10%	0.097	35%	0.352	C	S	.	.			trans	-74.7	147	163.6	-66.4	-68.3	0	0	0	110.8	P178 T186	P178-H184 PolarHBondContact O-NE2 3.11Å; H184-T186 HydrophobicContact CB-CG2 3.56Å; H184-T186 PolarHBondContact O-N 3.49Å; H184-T186 PolarHBondContact O-OG1 3.39Å
185	H	57.5	Low	67.9	Low	84 Å²	84	67.8 Å²	67.8	39%	0.389	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	70.7	166	-87.3	-50.7	0	0	0	107.2	R190 Y192 R194	H185-R190 CarbonylContact O-C 3.32Å; H185-Y192 PolarHBondContact N-O 3.41Å; H185-R194 HydrophobicContact CB-CB 3.94Å; H185-R194 WeakPolarHBondContact CD2-CB 3.46Å; H185-R194 VanDerWaalsContact CE1-CD 3.47Å; H185-R194 WeakPolarHBondContact CE1-CD 3.33Å; H185-R194 PolarHBondContact CE1-NH1 3.21Å; H185-R194 WeakPolarHBondContact NE2-CD 3.17Å; H185-R194 PolarHBondContact NE2-NH1 3.26Å
186	T	62.1	Low	67.3	Low	29 Å²	29	69.8 Å²	69.8	18%	0.178	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117	176.6	36.2	0	0	0	0	107.1	H113 C116 I117 H184 R190	H113-T186 WeakPolarHBondContact CD2-CB 2.92Å; H113-T186 PolarHBondContact CD2-OG1 2.92Å; H113-T186 WeakPolarHBondContact NE2-CB 3.27Å; H113-T186 PolarHBondContact NE2-OG1 3.48Å; C116-T186 HydrophobicContact CB-CG2 3.94Å; C116-T186 VanDerWaalsContact SG-CG2 3.54Å; I117-T186 HydrophobicContact CG1-CG2 4.03Å; H184-T186 HydrophobicContact CB-CG2 3.56Å; H184-T186 PolarHBondContact O-N 3.49Å; H184-T186 PolarHBondContact O-OG1 3.39Å; T186-R190 WeakPolarHBondContact CA-O 3.44Å
187	G	55.2	Low	67.1	Low	41 Å²	41	68.3 Å²	68.3	42%	0.423	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	174.3	-179.6	0	0	0	0	0	109.8	G189 R190	G187-G189 PolarHBondContact O-N 2.8Å; G187-R190 PolarHBondContact N-O 2.98Å; G187-R190 VanDerWaalsContact N-O 3.1Å; G187-R190 PolarHBondContact O-N 3.44Å; G187-R190 VanDerWaalsContact O-O 3.11Å
188	V	60.1	Low	67.2	Low	126 Å²	126	67.6 Å²	67.6	76%	0.764	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	116.2	177.8	-173.3	0	0	0	0	108.7	R190	V188-R190 VanDerWaalsContact C-N 3.31Å; V188-R190 PolarHBondContact O-N 3.39Å
189	G	69.3	Low	67.6	Low	15 Å²	15	69.6 Å²	69.6	16%	0.155	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	77.1	-6	-177.2	0	0	0	0	0	117.6	Y107 W108 G187	Y107-G189 WeakPolarHBondContact CA-O 3.42Å; Y107-G189 WeakPolarHBondContact CB-O 3.49Å; W108-G189 PolarHBondContact N-O 3.27Å; G187-G189 PolarHBondContact O-N 2.8Å
190	R	72.1	Confident	67.8	Low	163 Å²	163	68.3 Å²	68.3	62%	0.615	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	122	-179.2	-59.3	-174.5	-164.5	167.7	5.6	111.1	H185 T186 G187 V188 Y192	H185-R190 CarbonylContact O-C 3.32Å; T186-R190 WeakPolarHBondContact CA-O 3.44Å; G187-R190 PolarHBondContact N-O 2.98Å; G187-R190 VanDerWaalsContact N-O 3.1Å; G187-R190 PolarHBondContact O-N 3.44Å; G187-R190 VanDerWaalsContact O-O 3.11Å; V188-R190 VanDerWaalsContact C-N 3.31Å; V188-R190 PolarHBondContact O-N 3.39Å; R190-Y192 HydrophobicContact CB-CD2 4.26Å; R190-Y192 HydrophobicContact CB-CE2 4.4Å
191	C	82.8	Confident	68.2	Low	1 Å²	1	65.5 Å²	65.5	1%	0.007	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	88.8	172.7	-179.3	0	0	0	0	109.6	W108 C116 W119	W108-C191 HydrophobicContact CB-CB 3.65Å; W108-C191 HydrophobicContact CD2-CB 3.55Å; W108-C191 HydrophobicContact CE3-CB 3.69Å; W108-C191 HydrophobicContact CG-CB 3.57Å; W108-C191 HydrophobicContact CZ3-CB 4.49Å; C116-C191 WeakPolarHBondContact CA-SG 3.49Å; C116-C191 HydrophobicContact CB-CB 3.87Å; C116-C191 WeakPolarHBondContact CB-SG 3.16Å; C116-C191 WeakPolarHBondContact SG-CA 3.46Å; C116-C191 WeakPolarHBondContact SG-CB 3.46Å; C116-C191 CovalentContact SG-SG 2.02Å; C116-C191 PolarHBondContact SG-SG 2.9Å; W119-C191 VanDerWaalsContact CZ3-SG 3.59Å
192	Y	75.8	Confident	69.1	Low	67 Å²	67	69.1 Å²	69.1	26%	0.263	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	147.3	-177.7	-60.1	-92.6	0	0	0	109.9	R102 H185 R190 R194 E492	R102-Y192 PolarHBondContact NH1-OH 3.43Å; R102-Y192 VanDerWaalsContact NH1-OH 3.09Å; H185-Y192 PolarHBondContact N-O 3.41Å; R190-Y192 HydrophobicContact CB-CD2 4.26Å; R190-Y192 HydrophobicContact CB-CE2 4.4Å; Y192-R194 PolarHBondContact O-N 3.35Å; Y192-E492 VanDerWaalsContact CE1-OE1 3.26Å; Y192-E492 WeakPolarHBondContact CE1-OE1 3.4Å; Y192-E492 VanDerWaalsContact CE1-OE2 3.24Å; Y192-E492 WeakPolarHBondContact CE1-OE2 3.32Å; Y192-E492 VanDerWaalsContact CZ-OE2 3.29Å; Y192-E492 PolarHBondContact OH-OE1 3.49Å; Y192-E492 PolarHBondContact OH-OE2 2.94Å
193	I	70.1	Confident	70.1	Confident	24 Å²	24	59.8 Å²	59.8	12%	0.123	31%	0.312	C	S	.	.			trans	-68	98.8	170.7	-165	156.4	0	0	0	108.9	T195 R200	I193-T195 HydrophobicContact CD1-CG2 4.26Å; I193-T195 HydrophobicContact CG1-CG2 3.53Å; I193-R200 PolarHBondContact O-NH2 3.26Å
194	R	64.2	Low	71.4	Confident	109 Å²	109	55.3 Å²	55.3	41%	0.411	29%	0.291	S	S	.	.			trans	-88.9	126.6	169.1	166.9	-163.5	177.6	86.5	-5.9	106.8	Q183 H185 Y192	Q183-R194 CarbonylContact O-C 3.59Å; Q183-R194 VanDerWaalsContact O-C 3.26Å; Q183-R194 WeakPolarHBondContact O-CB 3.13Å; Q183-R194 WeakPolarHBondContact O-CD 3.41Å; Q183-R194 WeakPolarHBondContact O-CG 3.4Å; H185-R194 HydrophobicContact CB-CB 3.94Å; H185-R194 WeakPolarHBondContact CD2-CB 3.46Å; H185-R194 VanDerWaalsContact CE1-CD 3.47Å; H185-R194 WeakPolarHBondContact CE1-CD 3.33Å; H185-R194 PolarHBondContact CE1-NH1 3.21Å; H185-R194 WeakPolarHBondContact NE2-CD 3.17Å; H185-R194 PolarHBondContact NE2-NH1 3.26Å; Y192-R194 PolarHBondContact O-N 3.35Å
195	T	61	Low	72.6	Confident	16 Å²	16	56.7 Å²	56.7	10%	0.098	30%	0.299	C	S	.	.			trans	-158.8	123.6	-169	41.9	0	0	0	0	106	I193 Y199 R200	I193-T195 HydrophobicContact CD1-CG2 4.26Å; I193-T195 HydrophobicContact CG1-CG2 3.53Å; T195-Y199 HydrophobicContact CG2-CD1 3.16Å; T195-Y199 HydrophobicContact CG2-CE1 3.32Å; T195-Y199 HydrophobicContact CG2-CG 4.15Å; T195-R200 PolarHBondContact O-NE 3.48Å; T195-R200 WeakPolarHBondContact OG1-CD 3.39Å; T195-R200 WeakPolarHBondContact OG1-CG 3.14Å; T195-R200 PolarHBondContact OG1-NE 3.19Å
196	D	70.9	Confident	73.8	Confident	82 Å²	82	56.4 Å²	56.4	44%	0.439	31%	0.305	S	S	.	.			trans	-43.4	147.1	166.7	57.9	-71.6	0	0	0	111.3	G198 Y199 R200	D196-G198 PolarHBondContact O-N 3Å; D196-G198 VanDerWaalsContact O-N 3.15Å; D196-Y199 PolarHBondContact O-N 3.36Å; D196-Y199 VanDerWaalsContact O-N 3.07Å; D196-Y199 WeakPolarHBondContact OD1-CB 3.34Å; D196-Y199 WeakPolarHBondContact OD2-CB 3.49Å; D196-Y199 PolarHBondContact OD2-N 3.31Å; D196-R200 PolarHBondContact O-N 3.14Å
197	A	76.2	Confident	74.8	Confident	29 Å²	29	56 Å²	56	24%	0.24	30%	0.302	C	S	.	.	H	α-helix	trans	-52.5	-39.4	-178.9	0	0	0	0	0	111.5	R200 F201 E487	A197-R200 PolarHBondContact O-N 3.39Å; A197-F201 VanDerWaalsContact O-CB 3.23Å; A197-F201 WeakPolarHBondContact O-CB 3.22Å; A197-F201 PolarHBondContact O-N 3.38Å; A197-E487 HydrophobicContact CB-CG 4.22Å
198	G	78.2	Confident	76.1	Confident	47 Å²	47	55 Å²	55	49%	0.485	29%	0.286	S	S	.	.	H	α-helix	trans	-60.1	-48.1	176.7	0	0	0	0	0	113.4	D196 F201 L202	D196-G198 PolarHBondContact O-N 3Å; D196-G198 VanDerWaalsContact O-N 3.15Å; G198-F201 PolarHBondContact O-N 3.13Å; G198-L202 VanDerWaalsContact O-CB 3.25Å; G198-L202 WeakPolarHBondContact O-CB 3.26Å; G198-L202 PolarHBondContact O-N 2.69Å
199	Y	77.7	Confident	77.3	Confident	46 Å²	46	53.5 Å²	53.5	18%	0.18	27%	0.269	C	S	.	.	H	α-helix	trans	-67	-43.5	177.8	-179.4	-83.1	0	0	0	111.7	P177 P178 T195 D196 F201 L202 T203	P177-Y199 HydrophobicContact CB-CE2 3.74Å; P178-Y199 WeakPolarHBondContact CD-OH 3.33Å; P178-Y199 WeakPolarHBondContact CG-OH 3.27Å; T195-Y199 HydrophobicContact CG2-CD1 3.16Å; T195-Y199 HydrophobicContact CG2-CE1 3.32Å; T195-Y199 HydrophobicContact CG2-CG 4.15Å; D196-Y199 PolarHBondContact O-N 3.36Å; D196-Y199 VanDerWaalsContact O-N 3.07Å; D196-Y199 WeakPolarHBondContact OD1-CB 3.34Å; D196-Y199 WeakPolarHBondContact OD2-CB 3.49Å; D196-Y199 PolarHBondContact OD2-N 3.31Å; Y199-F201 VanDerWaalsContact C-N 3.31Å; Y199-F201 PolarHBondContact O-N 2.77Å; Y199-L202 PolarHBondContact O-N 2.92Å; Y199-T203 HydrophobicContact CD1-CG2 3.82Å; Y199-T203 HydrophobicContact CD2-CG2 4.14Å; Y199-T203 HydrophobicContact CE1-CG2 3.49Å; Y199-T203 VanDerWaalsContact CE1-CG2 3.49Å; Y199-T203 HydrophobicContact CE2-CG2 3.81Å; Y199-T203 HydrophobicContact CG-CG2 4.16Å; Y199-T203 VanDerWaalsContact CZ-CG2 3.49Å; Y199-T203 WeakPolarHBondContact O-CB 3.37Å; Y199-T203 WeakPolarHBondContact O-CG2 3.45Å; Y199-T203 PolarHBondContact O-N 2.7Å; Y199-T203 PolarHBondContact O-OG1 2.99Å
200	R	78.2	Confident	78.2	Confident	42 Å²	42	56.4 Å²	56.4	16%	0.158	28%	0.284	C	S	.	.	H	α-helix	trans	-56.6	-49.2	174.5	-73.7	-171	173.1	160.6	3.5	110.6	I193 T195 D196 A197 T203 G204 Y480 E483	I193-R200 PolarHBondContact O-NH2 3.26Å; T195-R200 PolarHBondContact O-NE 3.48Å; T195-R200 WeakPolarHBondContact OG1-CD 3.39Å; T195-R200 WeakPolarHBondContact OG1-CG 3.14Å; T195-R200 PolarHBondContact OG1-NE 3.19Å; D196-R200 PolarHBondContact O-N 3.14Å; A197-R200 PolarHBondContact O-N 3.39Å; R200-T203 PolarHBondContact O-OG1 3.37Å; R200-G204 WeakPolarHBondContact O-CA 3.25Å; R200-G204 PolarHBondContact O-N 2.92Å; R200-Y480 HydrophobicContact CB-CE1 4.46Å; R200-Y480 WeakPolarHBondContact O-CE1 3.23Å; R200-E483 IonicContact NH1-OE2 2.74Å
201	F	81.7	Confident	78.9	Confident	93 Å²	93	49.2 Å²	49.2	41%	0.408	26%	0.258	S	S	.	.	H	α-helix	trans	-62.4	-49.1	-179.8	-173.5	-102.8	0	0	0	111.8	A197 G198 Y199 G204 I205 T485	A197-F201 VanDerWaalsContact O-CB 3.23Å; A197-F201 WeakPolarHBondContact O-CB 3.22Å; A197-F201 PolarHBondContact O-N 3.38Å; G198-F201 PolarHBondContact O-N 3.13Å; Y199-F201 VanDerWaalsContact C-N 3.31Å; Y199-F201 PolarHBondContact O-N 2.77Å; F201-G204 PolarHBondContact O-N 3.42Å; F201-I205 HydrophobicContact CD1-CD1 3.72Å; F201-I205 HydrophobicContact CD2-CD1 4.33Å; F201-I205 HydrophobicContact CE1-CD1 3.27Å; F201-I205 HydrophobicContact CE2-CD1 3.94Å; F201-I205 HydrophobicContact CG-CD1 4.24Å; F201-I205 HydrophobicContact CZ-CD1 3.41Å; F201-I205 VanDerWaalsContact CZ-CD1 3.41Å; F201-I205 WeakPolarHBondContact O-CG1 3.5Å; F201-I205 PolarHBondContact O-N 3.47Å; F201-T485 HydrophobicContact CD2-CG2 3.94Å; F201-T485 HydrophobicContact CE2-CG2 3.88Å
202	L	82.5	Confident	79.1	Confident	110 Å²	110	50.2 Å²	50.2	58%	0.576	26%	0.262	S	S	*	.	H	α-helix	trans	-63.8	-49.8	-178.8	-177.2	65.7	0	0	0	112	G198 Y199 G204 I205 C206	G198-L202 VanDerWaalsContact O-CB 3.25Å; G198-L202 WeakPolarHBondContact O-CB 3.26Å; G198-L202 PolarHBondContact O-N 2.69Å; Y199-L202 PolarHBondContact O-N 2.92Å; L202-G204 VanDerWaalsContact C-N 3.34Å; L202-G204 PolarHBondContact O-N 3.01Å; L202-I205 PolarHBondContact O-N 3.31Å; L202-C206 WeakPolarHBondContact O-CB 3.46Å; L202-C206 PolarHBondContact O-N 2.88Å; L202-C206 PolarHBondContact O-SG 3.47Å; L202-C206 VanDerWaalsContact O-SG 3.38Å
203	T	80.8	Confident	79.7	Confident	17 Å²	17	51.9 Å²	51.9	10%	0.104	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-40.4	177.6	55.8	0	0	0	0	111.4	Y199 R200 I205 C206 I207 Y480	Y199-T203 HydrophobicContact CD1-CG2 3.82Å; Y199-T203 HydrophobicContact CD2-CG2 4.14Å; Y199-T203 HydrophobicContact CE1-CG2 3.49Å; Y199-T203 VanDerWaalsContact CE1-CG2 3.49Å; Y199-T203 HydrophobicContact CE2-CG2 3.81Å; Y199-T203 HydrophobicContact CG-CG2 4.16Å; Y199-T203 VanDerWaalsContact CZ-CG2 3.49Å; Y199-T203 WeakPolarHBondContact O-CB 3.37Å; Y199-T203 WeakPolarHBondContact O-CG2 3.45Å; Y199-T203 PolarHBondContact O-N 2.7Å; Y199-T203 PolarHBondContact O-OG1 2.99Å; R200-T203 PolarHBondContact O-OG1 3.37Å; T203-I205 VanDerWaalsContact C-N 3.32Å; T203-I205 PolarHBondContact O-N 2.84Å; T203-C206 PolarHBondContact O-N 3.29Å; T203-I207 WeakPolarHBondContact O-CB 3.39Å; T203-I207 WeakPolarHBondContact O-CG1 3.49Å; T203-I207 PolarHBondContact O-N 2.85Å; T203-Y480 PolarHBondContact OG1-OH 3.47Å
204	G	82	Confident	80.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.7	-43.7	176.6	0	0	0	0	0	112.3	R200 F201 L202 F208 F209	R200-G204 WeakPolarHBondContact O-CA 3.25Å; R200-G204 PolarHBondContact O-N 2.92Å; F201-G204 PolarHBondContact O-N 3.42Å; L202-G204 VanDerWaalsContact C-N 3.34Å; L202-G204 PolarHBondContact O-N 3.01Å; G204-F208 WeakPolarHBondContact O-CB 3.3Å; G204-F208 PolarHBondContact O-N 3.36Å; G204-F208 VanDerWaalsContact O-N 3.1Å; G204-F209 PolarHBondContact O-N 2.88Å
205	I	85.7	Confident	81.9	Confident	50 Å²	50	48.8 Å²	48.8	26%	0.256	27%	0.267	S	S	.	.	I	π-helix	trans	-67.6	-50.2	177.2	-71.3	172.2	0	0	0	111.5	F201 L202 T203 F209 V210 L481	F201-I205 HydrophobicContact CD1-CD1 3.72Å; F201-I205 HydrophobicContact CD2-CD1 4.33Å; F201-I205 HydrophobicContact CE1-CD1 3.27Å; F201-I205 HydrophobicContact CE2-CD1 3.94Å; F201-I205 HydrophobicContact CG-CD1 4.24Å; F201-I205 HydrophobicContact CZ-CD1 3.41Å; F201-I205 VanDerWaalsContact CZ-CD1 3.41Å; F201-I205 WeakPolarHBondContact O-CG1 3.5Å; F201-I205 PolarHBondContact O-N 3.47Å; L202-I205 PolarHBondContact O-N 3.31Å; T203-I205 VanDerWaalsContact C-N 3.32Å; T203-I205 PolarHBondContact O-N 2.84Å; I205-F209 PolarHBondContact O-N 3.49Å; I205-V210 HydrophobicContact CG2-CG2 4.12Å; I205-V210 WeakPolarHBondContact O-CG2 3.22Å; I205-V210 PolarHBondContact O-N 3.3Å; I205-L481 HydrophobicContact CG1-CD2 4.09Å
206	C	84.1	Confident	83.3	Confident	77 Å²	77	48.9 Å²	48.9	52%	0.52	27%	0.271	S	S	.	.	I	π-helix	trans	-68.9	-39.9	-174	-70.6	0	0	0	0	112.9	L202 T203 P211	L202-C206 WeakPolarHBondContact O-CB 3.46Å; L202-C206 PolarHBondContact O-N 2.88Å; L202-C206 PolarHBondContact O-SG 3.47Å; L202-C206 VanDerWaalsContact O-SG 3.38Å; T203-C206 PolarHBondContact O-N 3.29Å; C206-P211 WeakPolarHBondContact O-CD 3.48Å
207	I	82.5	Confident	84.3	Confident	22 Å²	22	49.3 Å²	49.3	11%	0.113	27%	0.269	C	S	.	.	I	π-helix	trans	-86.1	-41	-173.1	-59.3	174.3	0	0	0	111	V124 V174 T203 P211	V124-I207 HydrophobicContact CG1-CD1 4.14Å; V174-I207 HydrophobicContact CG1-CD1 3.39Å; V174-I207 HydrophobicContact CG1-CG1 3.65Å; T203-I207 WeakPolarHBondContact O-CB 3.39Å; T203-I207 WeakPolarHBondContact O-CG1 3.49Å; T203-I207 PolarHBondContact O-N 2.85Å; I207-P211 VanDerWaalsContact O-CG 3.32Å; I207-P211 WeakPolarHBondContact O-CG 3.34Å
208	F	82.9	Confident	85.1	Confident	20 Å²	20	48.7 Å²	48.7	9%	0.088	26%	0.261	C	S	.	.	I	π-helix	trans	-105.2	-64.9	-175.6	-55.7	-66.4	0	0	0	111.2	I131 G204 V210 P211 F212 W473 F476 T477	I131-F208 HydrophobicContact CD1-CD1 3.91Å; I131-F208 HydrophobicContact CD1-CE1 4.05Å; G204-F208 WeakPolarHBondContact O-CB 3.3Å; G204-F208 PolarHBondContact O-N 3.36Å; G204-F208 VanDerWaalsContact O-N 3.1Å; F208-V210 PolarHBondContact O-N 3.15Å; F208-P211 VanDerWaalsContact O-CD 3.24Å; F208-P211 WeakPolarHBondContact O-CD 3.49Å; F208-F212 HydrophobicContact CB-CD2 4.41Å; F208-F212 HydrophobicContact CB-CE2 4.38Å; F208-F212 WeakPolarHBondContact O-CD2 3.43Å; F208-F212 PolarHBondContact O-N 3.04Å; F208-W473 AromaticContact CD1-CE3 3.93Å; F208-W473 HydrophobicContact CD1-CE3 3.93Å; F208-W473 HydrophobicContact CD1-CZ3 4.03Å; F208-W473 AromaticContact CE1-CE3 3.67Å; F208-W473 HydrophobicContact CE1-CE3 3.67Å; F208-W473 HydrophobicContact CE1-CH2 4.18Å; F208-W473 AromaticContact CE1-CZ3 3.28Å; F208-W473 HydrophobicContact CE1-CZ3 3.28Å; F208-W473 HydrophobicContact CZ-CZ3 4.04Å; F208-F476 HydrophobicContact CE1-CE1 4.48Å; F208-F476 AromaticContact CE2-CE1 3.98Å; F208-F476 HydrophobicContact CE2-CE1 3.98Å; F208-F476 HydrophobicContact CZ-CD1 4.31Å; F208-F476 AromaticContact CZ-CE1 3.78Å; F208-F476 HydrophobicContact CZ-CE1 3.78Å; F208-T477 HydrophobicContact CB-CG2 3.58Å; F208-T477 HydrophobicContact CG-CG2 4.42Å
209	F	85.7	Confident	85.7	Confident	93 Å²	93	47.8 Å²	47.8	41%	0.408	24%	0.244	S	C	.	.	I	π-helix	trans	-58.6	-46.3	-166.8	-169.2	-106.5	0	0	0	113.8	G204 I205 F212 L213 L481	G204-F209 PolarHBondContact O-N 2.88Å; I205-F209 PolarHBondContact O-N 3.49Å; F209-F212 PolarHBondContact O-N 2.88Å; F209-L213 HydrophobicContact CD1-CD1 3.86Å; F209-L213 HydrophobicContact CD1-CG 4.37Å; F209-L213 HydrophobicContact CE1-CD1 3.3Å; F209-L213 HydrophobicContact CE1-CG 4.07Å; F209-L213 HydrophobicContact CE2-CD1 4.5Å; F209-L213 HydrophobicContact CZ-CD1 3.68Å; F209-L213 HydrophobicContact CZ-CD2 4.4Å; F209-L213 HydrophobicContact CZ-CG 4.15Å; F209-L213 WeakPolarHBondContact O-CG 3.37Å; F209-L213 PolarHBondContact O-N 3.26Å; F209-L481 HydrophobicContact CD2-CD1 4.42Å
210	V	87.5	Confident	86.4	Confident	77 Å²	77	50.2 Å²	50.2	47%	0.467	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-50.5	-179.4	168.6	0	0	0	0	111.8	I205 F208 F212 L213 L214	I205-V210 HydrophobicContact CG2-CG2 4.12Å; I205-V210 WeakPolarHBondContact O-CG2 3.22Å; I205-V210 PolarHBondContact O-N 3.3Å; F208-V210 PolarHBondContact O-N 3.15Å; V210-F212 PolarHBondContact O-N 3.32Å; V210-L213 PolarHBondContact O-N 3.47Å; V210-L214 WeakPolarHBondContact O-CB 3.11Å; V210-L214 PolarHBondContact O-N 3.25Å
211	P	85.4	Confident	87.1	Confident	12 Å²	12	53.6 Å²	53.6	8%	0.078	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-38.9	174	-31.8	39.3	0	0	0	115	I131 C206 I207 F208 L214 V215	I131-P211 HydrophobicContact CG2-CB 3.23Å; I131-P211 HydrophobicContact CG2-CG 3.74Å; C206-P211 WeakPolarHBondContact O-CD 3.48Å; I207-P211 VanDerWaalsContact O-CG 3.32Å; I207-P211 WeakPolarHBondContact O-CG 3.34Å; F208-P211 VanDerWaalsContact O-CD 3.24Å; F208-P211 WeakPolarHBondContact O-CD 3.49Å; P211-L214 PolarHBondContact O-N 3.35Å; P211-V215 WeakPolarHBondContact O-CB 3.44Å; P211-V215 WeakPolarHBondContact O-CG2 3.39Å; P211-V215 PolarHBondContact O-N 3.22Å
212	F	87	Confident	87.5	Confident	22 Å²	22	49.2 Å²	49.2	10%	0.096	25%	0.253	C	S	.	.	H	α-helix	trans	-58.6	-50	175.5	-95.4	-97.3	0	0	0	112.2	F208 F209 V210 L214 G216 F469 I470 W473 L474 T477	F208-F212 HydrophobicContact CB-CD2 4.41Å; F208-F212 HydrophobicContact CB-CE2 4.38Å; F208-F212 WeakPolarHBondContact O-CD2 3.43Å; F208-F212 PolarHBondContact O-N 3.04Å; F209-F212 PolarHBondContact O-N 2.88Å; V210-F212 PolarHBondContact O-N 3.32Å; F212-L214 VanDerWaalsContact C-N 3.34Å; F212-L214 PolarHBondContact O-N 3Å; F212-G216 PolarHBondContact O-N 3Å; F212-F469 HydrophobicContact CD1-CE1 4.34Å; F212-F469 HydrophobicContact CD2-CE1 4.03Å; F212-F469 HydrophobicContact CD2-CZ 4.18Å; F212-F469 HydrophobicContact CE1-CE1 4.35Å; F212-F469 HydrophobicContact CE2-CE1 4.05Å; F212-F469 AromaticContact CE2-CZ 3.96Å; F212-F469 HydrophobicContact CE2-CZ 3.96Å; F212-F469 HydrophobicContact CG-CE1 4.25Å; F212-F469 HydrophobicContact CZ-CE1 4.26Å; F212-F469 HydrophobicContact CZ-CZ 4.41Å; F212-I470 HydrophobicContact CD1-CB 4.31Å; F212-I470 HydrophobicContact CD1-CG1 3.99Å; F212-I470 HydrophobicContact CD1-CG2 4.12Å; F212-I470 HydrophobicContact CE1-CB 4.09Å; F212-I470 HydrophobicContact CE1-CG1 4.2Å; F212-I470 HydrophobicContact CE1-CG2 3.96Å; F212-I470 WeakPolarHBondContact CE1-O 3.41Å; F212-W473 HydrophobicContact CE1-CB 4.28Å; F212-W473 HydrophobicContact CE2-CB 3.74Å; F212-W473 HydrophobicContact CZ-CB 3.24Å; F212-W473 HydrophobicContact CZ-CG 4.41Å; F212-L474 HydrophobicContact CE1-CB 4.47Å; F212-T477 WeakPolarHBondContact CE2-OG1 3.26Å
213	L	89.6	Confident	87.9	Confident	101 Å²	101	50.3 Å²	50.3	53%	0.529	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-41.5	177.3	-70.5	-173.5	0	0	0	111.7	F209 V210 F217	F209-L213 HydrophobicContact CD1-CD1 3.86Å; F209-L213 HydrophobicContact CD1-CG 4.37Å; F209-L213 HydrophobicContact CE1-CD1 3.3Å; F209-L213 HydrophobicContact CE1-CG 4.07Å; F209-L213 HydrophobicContact CE2-CD1 4.5Å; F209-L213 HydrophobicContact CZ-CD1 3.68Å; F209-L213 HydrophobicContact CZ-CD2 4.4Å; F209-L213 HydrophobicContact CZ-CG 4.15Å; F209-L213 WeakPolarHBondContact O-CG 3.37Å; F209-L213 PolarHBondContact O-N 3.26Å; V210-L213 PolarHBondContact O-N 3.47Å; L213-F217 WeakPolarHBondContact O-CB 3.15Å; L213-F217 PolarHBondContact O-N 3.42Å
214	L	90.3	Very high	88.4	Confident	67 Å²	67	57 Å²	57	35%	0.351	28%	0.276	S	S	.	.	H	α-helix	trans	-61.6	-51.7	179.1	178.4	64.3	0	0	0	111.4	V210 P211 F212 F217 I218	V210-L214 WeakPolarHBondContact O-CB 3.11Å; V210-L214 PolarHBondContact O-N 3.25Å; P211-L214 PolarHBondContact O-N 3.35Å; F212-L214 VanDerWaalsContact C-N 3.34Å; F212-L214 PolarHBondContact O-N 3Å; L214-F217 PolarHBondContact O-N 3.43Å; L214-I218 HydrophobicContact CD1-CD1 3.96Å; L214-I218 HydrophobicContact CD1-CG1 4.48Å; L214-I218 HydrophobicContact CG-CD1 3.97Å; L214-I218 WeakPolarHBondContact O-CD1 3.43Å; L214-I218 WeakPolarHBondContact O-CG1 3.44Å; L214-I218 PolarHBondContact O-N 2.89Å
215	V	90.6	Very high	88.7	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-65.4	-47.1	-179.1	171.9	0	0	0	0	110.4	C135 P211 F217 I218 Y219 V466	C135-V215 VanDerWaalsContact SG-CG2 3.53Å; P211-V215 WeakPolarHBondContact O-CB 3.44Å; P211-V215 WeakPolarHBondContact O-CG2 3.39Å; P211-V215 PolarHBondContact O-N 3.22Å; V215-F217 PolarHBondContact O-N 3.49Å; V215-I218 PolarHBondContact O-N 2.91Å; V215-Y219 HydrophobicContact CG1-CD2 4.02Å; V215-Y219 HydrophobicContact CG1-CE2 4.26Å; V215-Y219 WeakPolarHBondContact O-CD2 3.41Å; V215-Y219 PolarHBondContact O-N 3.2Å; V215-V466 HydrophobicContact CG1-CB 4.21Å; V215-V466 HydrophobicContact CG1-CG1 3.27Å; V215-V466 HydrophobicContact CG1-CG2 3.92Å
216	G	90.7	Very high	88.8	Confident	18 Å²	18	57 Å²	57	19%	0.186	28%	0.278	C	S	.	.	H	α-helix	trans	-56.6	-48.6	176.6	0	0	0	0	0	112.1	F212 I218 Y219 I220	F212-G216 PolarHBondContact O-N 3Å; G216-I218 PolarHBondContact O-N 3.47Å; G216-Y219 PolarHBondContact O-N 2.9Å; G216-I220 VanDerWaalsContact O-CG1 3.26Å; G216-I220 WeakPolarHBondContact O-CG1 3.04Å; G216-I220 PolarHBondContact O-N 3.05Å
217	F	91.7	Very high	88.9	Confident	91 Å²	91	57.5 Å²	57.5	40%	0.399	27%	0.272	S	S	.	.	H	α-helix	trans	-59.2	-44.6	176.6	175.1	-100.5	0	0	0	112.6	L213 L214 V215 Y219 I220 R221 F250	L213-F217 WeakPolarHBondContact O-CB 3.15Å; L213-F217 PolarHBondContact O-N 3.42Å; L214-F217 PolarHBondContact O-N 3.43Å; V215-F217 PolarHBondContact O-N 3.49Å; F217-Y219 VanDerWaalsContact C-N 3.35Å; F217-Y219 PolarHBondContact O-N 3.43Å; F217-I220 PolarHBondContact O-N 3.04Å; F217-R221 HydrophobicContact CE1-CG 4.16Å; F217-R221 HydrophobicContact CE2-CG 4.28Å; F217-R221 HydrophobicContact CZ-CG 4.03Å; F217-R221 WeakPolarHBondContact O-CG 3.09Å; F217-R221 PolarHBondContact O-N 2.94Å; F217-F250 HydrophobicContact CE1-CE2 4.29Å
218	I	92.6	Very high	89.1	Confident	16 Å²	16	64 Å²	64	8%	0.082	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-45.6	177.9	-71.2	165.8	0	0	0	110.6	V139 Y142 L214 V215 G216 R221 I222	V139-I218 HydrophobicContact CG2-CD1 4.13Å; Y142-I218 HydrophobicContact CD2-CG2 4.23Å; Y142-I218 HydrophobicContact CG-CG2 4.38Å; L214-I218 HydrophobicContact CD1-CD1 3.96Å; L214-I218 HydrophobicContact CD1-CG1 4.48Å; L214-I218 HydrophobicContact CG-CD1 3.97Å; L214-I218 WeakPolarHBondContact O-CD1 3.43Å; L214-I218 WeakPolarHBondContact O-CG1 3.44Å; L214-I218 PolarHBondContact O-N 2.89Å; V215-I218 PolarHBondContact O-N 2.91Å; G216-I218 PolarHBondContact O-N 3.47Å; I218-R221 WeakPolarHBondContact O-CB 3.37Å; I218-R221 PolarHBondContact O-N 2.84Å; I218-I222 HydrophobicContact CG2-CD1 3.77Å; I218-I222 HydrophobicContact CG2-CG1 4.35Å; I218-I222 VanDerWaalsContact O-CG1 3.29Å; I218-I222 WeakPolarHBondContact O-CG1 3.39Å; I218-I222 PolarHBondContact O-N 2.95Å
219	Y	91.3	Very high	89	Confident	28 Å²	28	65.9 Å²	65.9	11%	0.11	30%	0.302	C	S	.	.	H	α-helix	trans	-70.7	-36.6	-179	-89.4	-85.9	0	0	0	113.8	S138 V215 G216 F217 R221 I222 F223 V462 G463 V466	S138-Y219 WeakPolarHBondContact OG-CE2 3.34Å; V215-Y219 HydrophobicContact CG1-CD2 4.02Å; V215-Y219 HydrophobicContact CG1-CE2 4.26Å; V215-Y219 WeakPolarHBondContact O-CD2 3.41Å; V215-Y219 PolarHBondContact O-N 3.2Å; G216-Y219 PolarHBondContact O-N 2.9Å; F217-Y219 VanDerWaalsContact C-N 3.35Å; F217-Y219 PolarHBondContact O-N 3.43Å; Y219-R221 VanDerWaalsContact C-N 3.29Å; Y219-R221 PolarHBondContact O-N 3.4Å; Y219-I222 HydrophobicContact CD1-CD1 4.37Å; Y219-I222 HydrophobicContact CE1-CD1 4.34Å; Y219-I222 PolarHBondContact O-N 3.23Å; Y219-F223 WeakPolarHBondContact O-CB 3.21Å; Y219-F223 PolarHBondContact O-N 3.29Å; Y219-V462 WeakPolarHBondContact OH-CG1 3.41Å; Y219-G463 VanDerWaalsContact CE1-CA 3.44Å; Y219-V466 HydrophobicContact CD2-CB 4.09Å; Y219-V466 HydrophobicContact CD2-CG1 3.69Å; Y219-V466 HydrophobicContact CD2-CG2 3.93Å; Y219-V466 HydrophobicContact CE2-CB 3.84Å; Y219-V466 HydrophobicContact CE2-CG1 3.93Å; Y219-V466 HydrophobicContact CE2-CG2 3.23Å; Y219-V466 HydrophobicContact CG-CG1 4.21Å
220	I	91.5	Very high	88.8	Confident	98 Å²	98	63 Å²	63	50%	0.503	29%	0.293	S	S	.	.	H	α-helix	trans	-57.2	-47.4	170.8	-70.1	164.8	0	0	0	109.4	G216 F217 I222 F223 W224	G216-I220 VanDerWaalsContact O-CG1 3.26Å; G216-I220 WeakPolarHBondContact O-CG1 3.04Å; G216-I220 PolarHBondContact O-N 3.05Å; F217-I220 PolarHBondContact O-N 3.04Å; I220-I222 PolarHBondContact O-N 3.38Å; I220-F223 PolarHBondContact O-N 3.31Å; I220-W224 PolarHBondContact O-N 3.46Å
221	R	92.6	Very high	88.4	Confident	112 Å²	112	65.8 Å²	65.8	42%	0.423	30%	0.295	S	S	.	.	H	α-helix	trans	-62	-42.8	176.1	-71.7	-67.8	-162.2	172.3	2.8	112.5	Y142 F217 I218 Y219 F223 W224 V225	Y142-R221 HydrophobicContact CD2-CB 4.47Å; Y142-R221 HydrophobicContact CE2-CB 3.93Å; F217-R221 HydrophobicContact CE1-CG 4.16Å; F217-R221 HydrophobicContact CE2-CG 4.28Å; F217-R221 HydrophobicContact CZ-CG 4.03Å; F217-R221 WeakPolarHBondContact O-CG 3.09Å; F217-R221 PolarHBondContact O-N 2.94Å; I218-R221 WeakPolarHBondContact O-CB 3.37Å; I218-R221 PolarHBondContact O-N 2.84Å; Y219-R221 VanDerWaalsContact C-N 3.29Å; Y219-R221 PolarHBondContact O-N 3.4Å; R221-F223 VanDerWaalsContact C-N 3.34Å; R221-W224 PolarHBondContact O-N 3.24Å; R221-V225 VanDerWaalsContact O-CG2 3.24Å; R221-V225 WeakPolarHBondContact O-CG2 3.19Å; R221-V225 PolarHBondContact O-N 3.35Å
222	I	91	Very high	88	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-59.5	-46.2	176.6	-71.5	169.3	0	0	0	110.5	R141 Y142 I145 I218 Y219 I220 V225 I226 V459	R141-I222 HydrophobicContact CB-CD1 4.15Å; Y142-I222 HydrophobicContact CD2-CG1 3.99Å; I145-I222 HydrophobicContact CG1-CG2 4.45Å; I218-I222 HydrophobicContact CG2-CD1 3.77Å; I218-I222 HydrophobicContact CG2-CG1 4.35Å; I218-I222 VanDerWaalsContact O-CG1 3.29Å; I218-I222 WeakPolarHBondContact O-CG1 3.39Å; I218-I222 PolarHBondContact O-N 2.95Å; Y219-I222 HydrophobicContact CD1-CD1 4.37Å; Y219-I222 HydrophobicContact CE1-CD1 4.34Å; Y219-I222 PolarHBondContact O-N 3.23Å; I220-I222 PolarHBondContact O-N 3.38Å; I222-V225 PolarHBondContact O-N 2.94Å; I222-I226 HydrophobicContact CG2-CD1 3.67Å; I222-I226 HydrophobicContact CG2-CG1 4.39Å; I222-I226 WeakPolarHBondContact O-CG1 3.19Å; I222-I226 PolarHBondContact O-N 3.2Å; I222-V459 HydrophobicContact CG2-CG1 3.49Å; I222-V459 VanDerWaalsContact CG2-CG1 3.49Å
223	F	90.6	Very high	87.3	Confident	133 Å²	133	69.2 Å²	69.2	58%	0.583	31%	0.311	S	S	*	.	H	α-helix	trans	-57.6	-50.3	177.7	175.4	-97.7	0	0	0	111.4	Y219 I220 R221 V225 I226 H227	Y219-F223 WeakPolarHBondContact O-CB 3.21Å; Y219-F223 PolarHBondContact O-N 3.29Å; I220-F223 PolarHBondContact O-N 3.31Å; R221-F223 VanDerWaalsContact C-N 3.34Å; F223-V225 PolarHBondContact O-N 3.01Å; F223-I226 PolarHBondContact O-N 3.48Å; F223-H227 WeakPolarHBondContact O-CB 3.42Å; F223-H227 PolarHBondContact O-N 3.17Å
224	W	90.6	Very high	86.4	Confident	157 Å²	157	71.5 Å²	71.5	60%	0.595	32%	0.319	S	S	*	.	H	α-helix	trans	-60.3	-41.5	177.8	-78.9	113.7	0	0	0	113	I220 R221 H227 R228	I220-W224 PolarHBondContact O-N 3.46Å; R221-W224 PolarHBondContact O-N 3.24Å; W224-H227 PolarHBondContact O-N 2.99Å; W224-R228 WeakPolarHBondContact O-CB 3.36Å; W224-R228 PolarHBondContact O-N 3.35Å
225	V	88.8	Confident	85.4	Confident	29 Å²	29	75 Å²	75	18%	0.176	33%	0.332	C	S	.	.	H	α-helix	trans	-66.5	-40.2	177.8	173	0	0	0	0	111.3	I145 N146 R221 I222 F223 R229	I145-V225 HydrophobicContact CG2-CB 4.25Å; I145-V225 HydrophobicContact CG2-CG1 3.64Å; N146-V225 WeakPolarHBondContact OD1-CG2 3.39Å; R221-V225 VanDerWaalsContact O-CG2 3.24Å; R221-V225 WeakPolarHBondContact O-CG2 3.19Å; R221-V225 PolarHBondContact O-N 3.35Å; I222-V225 PolarHBondContact O-N 2.94Å; F223-V225 PolarHBondContact O-N 3.01Å; V225-R229 WeakPolarHBondContact O-CB 3.32Å; V225-R229 WeakPolarHBondContact O-CG 3.33Å; V225-R229 PolarHBondContact O-N 2.95Å
226	I	88.1	Confident	83.9	Confident	21 Å²	21	77.7 Å²	77.7	11%	0.108	36%	0.36	C	S	.	.	H	α-helix	trans	-65.2	-48.9	176.2	-71	170.3	0	0	0	110.2	I145 I222 F223 R228 R229 S230 F452 Q456 V459	I145-I226 HydrophobicContact CD1-CD1 4.42Å; I145-I226 HydrophobicContact CD1-CG1 4.49Å; I145-I226 HydrophobicContact CG2-CG1 4.11Å; I222-I226 HydrophobicContact CG2-CD1 3.67Å; I222-I226 HydrophobicContact CG2-CG1 4.39Å; I222-I226 WeakPolarHBondContact O-CG1 3.19Å; I222-I226 PolarHBondContact O-N 3.2Å; F223-I226 PolarHBondContact O-N 3.48Å; I226-R228 VanDerWaalsContact C-N 3.35Å; I226-R228 PolarHBondContact O-N 2.88Å; I226-R229 PolarHBondContact O-N 3.19Å; I226-S230 WeakPolarHBondContact O-CB 3.26Å; I226-S230 PolarHBondContact O-N 3.22Å; I226-S230 PolarHBondContact O-OG 2.88Å; I226-F452 HydrophobicContact CG1-CZ 4.31Å; I226-Q456 HydrophobicContact CD1-CG 4.39Å; I226-Q456 HydrophobicContact CG2-CG 4.15Å; I226-V459 HydrophobicContact CD1-CB 4.34Å; I226-V459 HydrophobicContact CD1-CG1 3.75Å
227	H	87.1	Confident	82.1	Confident	87 Å²	87	84.5 Å²	84.5	40%	0.403	39%	0.385	S	S	.	.	H	α-helix	trans	-58.4	-46.9	180	-176.1	73.7	0	0	0	111.4	F223 W224 R229 S230 R231	F223-H227 WeakPolarHBondContact O-CB 3.42Å; F223-H227 PolarHBondContact O-N 3.17Å; W224-H227 PolarHBondContact O-N 2.99Å; H227-R229 PolarHBondContact O-N 3.06Å; H227-S230 PolarHBondContact O-N 3.06Å; H227-R231 WeakPolarHBondContact O-CG 3Å; H227-R231 PolarHBondContact O-N 3.01Å; H227-R231 VanDerWaalsContact O-N 3.15Å
228	R	85.6	Confident	80.3	Confident	158 Å²	158	83.9 Å²	83.9	60%	0.596	38%	0.382	S	S	*	.	H	α-helix	trans	-57.7	-48.1	175.6	179.1	177.9	173.9	162.5	5.4	112.2	W224 I226 R231 E232	W224-R228 WeakPolarHBondContact O-CB 3.36Å; W224-R228 PolarHBondContact O-N 3.35Å; I226-R228 VanDerWaalsContact C-N 3.35Å; I226-R228 PolarHBondContact O-N 2.88Å; R228-R231 PolarHBondContact O-N 3.36Å; R228-E232 IonicContact CZ-OE1 2.88Å; R228-E232 IonicContact NE-OE1 3.98Å; R228-E232 PolarHBondContact NE-OE1 3.4Å; R228-E232 VanDerWaalsContact NE-OE1 3.07Å; R228-E232 IonicContact NH2-OE1 2.78Å; R228-E232 WeakPolarHBondContact O-CG 3.34Å; R228-E232 PolarHBondContact O-N 3.04Å
229	R	81.6	Confident	78	Confident	61 Å²	61	87.1 Å²	87.1	23%	0.23	41%	0.406	C	S	.	.	H	α-helix	trans	-71.4	-35	-177.9	-74.8	-176.9	-179.5	-178.8	10.6	113.2	I145 N146 V225 I226 H227 R231 E232 L233 F452	I145-R229 VanDerWaalsContact O-CZ 3.24Å; I145-R229 PolarHBondContact O-NH1 3Å; I145-R229 PolarHBondContact O-NH2 3.23Å; N146-R229 PolarHBondContact O-NH2 3.37Å; V225-R229 WeakPolarHBondContact O-CB 3.32Å; V225-R229 WeakPolarHBondContact O-CG 3.33Å; V225-R229 PolarHBondContact O-N 2.95Å; I226-R229 PolarHBondContact O-N 3.19Å; H227-R229 PolarHBondContact O-N 3.06Å; R229-R231 VanDerWaalsContact C-N 3.29Å; R229-R231 PolarHBondContact O-N 3.07Å; R229-E232 PolarHBondContact O-N 2.94Å; R229-L233 WeakPolarHBondContact O-CB 3.09Å; R229-L233 WeakPolarHBondContact O-CG 3.48Å; R229-L233 PolarHBondContact O-N 3.16Å; R229-F452 HydrophobicContact CB-CE1 4.05Å; R229-F452 HydrophobicContact CB-CE2 4.13Å; R229-F452 HydrophobicContact CB-CZ 3.6Å; R229-F452 VanDerWaalsContact CD-CE2 3.49Å; R229-F452 HydrophobicContact CG-CE2 4.48Å; R229-F452 HydrophobicContact CG-CZ 4.41Å
230	S	80.3	Confident	75.8	Confident	31 Å²	31	90 Å²	90	22%	0.217	43%	0.43	C	S	.	.	H	α-helix	trans	-58.4	-44.5	172.5	-77.5	0	0	0	0	110.7	I226 H227 L233 E234	I226-S230 WeakPolarHBondContact O-CB 3.26Å; I226-S230 PolarHBondContact O-N 3.22Å; I226-S230 PolarHBondContact O-OG 2.88Å; H227-S230 PolarHBondContact O-N 3.06Å; S230-L233 PolarHBondContact O-N 3.26Å; S230-E234 WeakPolarHBondContact O-CG 3.48Å; S230-E234 PolarHBondContact O-N 3.32Å; S230-E234 VanDerWaalsContact O-N 3.11Å
231	R	79.3	Confident	73.2	Confident	136 Å²	136	90.4 Å²	90.4	51%	0.513	43%	0.433	S	S	.	.	H	α-helix	trans	-62.6	-44.6	174	-66.6	-177.2	68.5	-170.3	0.5	112.5	H227 R228 R229 L233 E234 F235	H227-R231 WeakPolarHBondContact O-CG 3Å; H227-R231 PolarHBondContact O-N 3.01Å; H227-R231 VanDerWaalsContact O-N 3.15Å; R228-R231 PolarHBondContact O-N 3.36Å; R229-R231 VanDerWaalsContact C-N 3.29Å; R229-R231 PolarHBondContact O-N 3.07Å; R231-L233 PolarHBondContact O-N 3.47Å; R231-E234 PolarHBondContact O-N 2.88Å; R231-F235 WeakPolarHBondContact O-CD2 3.25Å; R231-F235 PolarHBondContact O-N 3.36Å; R231-F235 VanDerWaalsContact O-N 3.09Å
232	E	78.2	Confident	70.8	Confident	69 Å²	69	90.7 Å²	90.7	32%	0.322	45%	0.45	S	S	.	.	H	α-helix	trans	-60.7	-32.8	176.7	-70.8	169.9	-173.8	0	0	112.7	R228 R229 K237	R228-E232 IonicContact CZ-OE1 2.88Å; R228-E232 IonicContact NE-OE1 3.98Å; R228-E232 PolarHBondContact NE-OE1 3.4Å; R228-E232 VanDerWaalsContact NE-OE1 3.07Å; R228-E232 IonicContact NH2-OE1 2.78Å; R228-E232 WeakPolarHBondContact O-CG 3.34Å; R228-E232 PolarHBondContact O-N 3.04Å; R229-E232 PolarHBondContact O-N 2.94Å; E232-K237 PolarHBondContact O-N 3.15Å
233	L	71.8	Confident	68.2	Low	37 Å²	37	97.6 Å²	97.6	19%	0.194	48%	0.482	C	S	.	.	H	α-helix	trans	-73.9	-33.3	177.3	-70.5	171.9	0	0	0	113.3	R229 S230 R231 R449 F452	R229-L233 WeakPolarHBondContact O-CB 3.09Å; R229-L233 WeakPolarHBondContact O-CG 3.48Å; R229-L233 PolarHBondContact O-N 3.16Å; S230-L233 PolarHBondContact O-N 3.26Å; R231-L233 PolarHBondContact O-N 3.47Å; L233-R449 HydrophobicContact CD1-CG 4.35Å; L233-R449 HydrophobicContact CD2-CB 4.37Å; L233-R449 HydrophobicContact CD2-CG 3.8Å; L233-F452 HydrophobicContact CD1-CD1 3.88Å; L233-F452 HydrophobicContact CD1-CE1 4.04Å
234	E	70.9	Confident	65.7	Low	149 Å²	149	99.3 Å²	99.3	70%	0.696	49%	0.492	S	S	*	.	H	α-helix	trans	-69.4	-43	174.7	-73.3	166.3	-173.9	0	0	111.4	S230 R231 G236	S230-E234 WeakPolarHBondContact O-CG 3.48Å; S230-E234 PolarHBondContact O-N 3.32Å; S230-E234 VanDerWaalsContact O-N 3.11Å; R231-E234 PolarHBondContact O-N 2.88Å; E234-G236 PolarHBondContact O-N 3.09Å
235	F	67.7	Low	63.1	Low	141 Å²	141	99.2 Å²	99.2	62%	0.618	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	7.8	-179.5	-68.8	-66.7	0	0	0	114.8	R231 K237	R231-F235 WeakPolarHBondContact O-CD2 3.25Å; R231-F235 PolarHBondContact O-N 3.36Å; R231-F235 VanDerWaalsContact O-N 3.09Å; F235-K237 PolarHBondContact O-N 2.99Å
236	G	60.1	Low	60.5	Low	58 Å²	58	109.2 Å²	109.2	60%	0.598	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	2.1	179.3	0	0	0	0	0	115.4	E234 F238	E234-G236 PolarHBondContact O-N 3.09Å; G236-F238 PolarHBondContact O-N 3.3Å; G236-F238 VanDerWaalsContact O-N 3.14Å
237	K	52.4	Low	58.2	Low	161 Å²	161	116.7 Å²	116.7	70%	0.7	56%	0.564	S	S	*	*			trans	-87.8	77.9	-178.3	-72.9	-178.4	-178.6	176.9	0	110.2	E232 F235 S239	E232-K237 PolarHBondContact O-N 3.15Å; F235-K237 PolarHBondContact O-N 2.99Å; K237-S239 VanDerWaalsContact C-N 3.33Å; K237-S239 PolarHBondContact O-N 2.85Å
238	F	53.7	Low	55.5	Low	77 Å²	77	115.8 Å²	115.8	34%	0.338	58%	0.579	S	S	.	*			trans	-75.7	90.1	164.8	-158.1	-94.5	0	0	0	108.9	G236 S240 K448	G236-F238 PolarHBondContact O-N 3.3Å; G236-F238 VanDerWaalsContact O-N 3.14Å; F238-S240 PolarHBondContact O-N 2.93Å; F238-K448 HydrophobicContact CE1-CD 3.87Å; F238-K448 HydrophobicContact CZ-CB 4.06Å; F238-K448 HydrophobicContact CZ-CD 3.57Å; F238-K448 HydrophobicContact CZ-CG 4.49Å
239	S	44.6	Very low	53.2	Low	84 Å²	84	113.1 Å²	113.1	59%	0.587	58%	0.584	S	S	*	*			trans	-60.9	113.5	169.4	-174.3	0	0	0	0	108.2	K237 N241	K237-S239 VanDerWaalsContact C-N 3.33Å; K237-S239 PolarHBondContact O-N 2.85Å; S239-N241 PolarHBondContact O-N 3.42Å; S239-N241 PolarHBondContact OG-O 2.95Å
240	S	44.6	Very low	51.4	Low	89 Å²	89	114.5 Å²	114.5	62%	0.622	59%	0.592	S	S	*	*	S	Bend	trans	-76.2	-1.4	-177	43.9	0	0	0	0	113.2	F238	F238-S240 PolarHBondContact O-N 2.93Å
241	N	36.8	Very low	49.5	Very low	106 Å²	106	122.2 Å²	122.2	57%	0.567	62%	0.616	S	S	*	*			trans	-113.4	119	171.3	-86.1	-12.5	0	0	0	110.3	S239 E243	S239-N241 PolarHBondContact O-N 3.42Å; S239-N241 PolarHBondContact OG-O 2.95Å; N241-E243 PolarHBondContact O-N 3.5Å
242	P	42.1	Very low	47.7	Very low	119 Å²	119	123.8 Å²	123.8	77%	0.773	63%	0.634	S	S	*	*			trans	-70	88.1	153.1	30.4	-24.5	0	0	0	105.4	E244	P242-E244 VanDerWaalsContact C-N 3.3Å; P242-E244 PolarHBondContact O-N 3.35Å
243	E	37.7	Very low	46	Very low	146 Å²	146	126.6 Å²	126.6	68%	0.682	65%	0.651	S	S	*	*			trans	-53.5	108.5	156.5	-82.6	-75.7	133.2	0	0	105.2	N241 H245	N241-E243 PolarHBondContact O-N 3.5Å; E243-H245 PolarHBondContact O-N 3.48Å
244	E	37.8	Very low	44.7	Very low	170 Å²	170	130.2 Å²	130.2	79%	0.794	67%	0.665	S	S	*	*			trans	-57.1	87.6	170.1	-91.9	-178.2	157	0	0	106.9	P242 R246	P242-E244 VanDerWaalsContact C-N 3.3Å; P242-E244 PolarHBondContact O-N 3.35Å; E244-R246 PolarHBondContact O-N 3.49Å
245	H	36.9	Very low	43.1	Very low	155 Å²	155	125.9 Å²	125.9	72%	0.718	65%	0.647	S	S	*	*			trans	-69	89.7	163	-98.2	-77.4	0	0	0	107.7	E243 F247	E243-H245 PolarHBondContact O-N 3.48Å; H245-F247 PolarHBondContact O-N 3.17Å
246	R	33.3	Very low	42.1	Very low	238 Å²	238	122.3 Å²	122.3	90%	0.898	64%	0.638	S	S	*	*			trans	-30.6	75.4	153	-164.7	-172	-75.7	-172.7	-3.6	111.6	E244	E244-R246 PolarHBondContact O-N 3.49Å
247	F	40.2	Very low	41.2	Very low	178 Å²	178	123.8 Å²	123.8	78%	0.781	63%	0.632	S	S	*	*			trans	-100	90.8	156.5	-116.8	-86.9	0	0	0	107.6	H245 S249	H245-F247 PolarHBondContact O-N 3.17Å; F247-S249 PolarHBondContact O-N 3.1Å
248	G	30.7	Very low	40.8	Very low	69 Å²	69	122.5 Å²	122.5	71%	0.711	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	115	169.2	0	0	0	0	0	109.3
249	S	37.3	Very low	40.5	Very low	101 Å²	101	125.5 Å²	125.5	71%	0.706	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-168.7	-29.7	151.1	-167.4	0	0	0	0	110.8	F247	F247-S249 PolarHBondContact O-N 3.1Å
250	F	43	Very low	40.4	Very low	91 Å²	91	127.1 Å²	127.1	40%	0.399	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.9	12.9	-177.6	-90.3	-94.4	0	0	0	116.5	F217 L252 L253 F254	F217-F250 HydrophobicContact CE1-CE2 4.29Å; F250-L252 PolarHBondContact O-N 3.39Å; F250-L252 VanDerWaalsContact O-N 3.14Å; F250-L253 HydrophobicContact CD1-CB 3.81Å; F250-L253 HydrophobicContact CD1-CD1 3.81Å; F250-L253 HydrophobicContact CD1-CG 4.44Å; F250-L253 HydrophobicContact CE1-CB 4.17Å; F250-L253 HydrophobicContact CE1-CD1 3.37Å; F250-L253 HydrophobicContact CE1-CG 4.4Å; F250-L253 HydrophobicContact CZ-CD1 4.18Å; F250-L253 PolarHBondContact O-N 3.18Å; F250-F254 HydrophobicContact CD1-CD2 4.1Å; F250-F254 HydrophobicContact CD1-CE2 4.34Å; F250-F254 PolarHBondContact O-N 3.4Å
251	R	39.4	Very low	40.1	Very low	192 Å²	192	131.7 Å²	131.7	73%	0.725	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-16.3	176.6	-136.2	-176.4	-156.5	-174.4	7	112.6	N255	R251-N255 VanDerWaalsContact O-CB 3.27Å; R251-N255 WeakPolarHBondContact O-CB 3.35Å
252	L	42.8	Very low	40.5	Very low	170 Å²	170	133.7 Å²	133.7	89%	0.89	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-42.5	177.5	-115.2	118.4	0	0	0	113.3	F250	F250-L252 PolarHBondContact O-N 3.39Å; F250-L252 VanDerWaalsContact O-N 3.14Å
253	L	42.8	Very low	40.5	Very low	128 Å²	128	138.5 Å²	138.5	67%	0.67	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-25.7	-178.1	-81.9	163.4	0	0	0	113.5	F250	F250-L253 HydrophobicContact CD1-CB 3.81Å; F250-L253 HydrophobicContact CD1-CD1 3.81Å; F250-L253 HydrophobicContact CD1-CG 4.44Å; F250-L253 HydrophobicContact CE1-CB 4.17Å; F250-L253 HydrophobicContact CE1-CD1 3.37Å; F250-L253 HydrophobicContact CE1-CG 4.4Å; F250-L253 HydrophobicContact CZ-CD1 4.18Å; F250-L253 PolarHBondContact O-N 3.18Å
254	F	44.6	Very low	40.7	Very low	113 Å²	113	138.9 Å²	138.9	50%	0.496	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	-138.8	61.2	179.5	-63.8	-79.9	0	0	0	110.4	V139 F250 P256	V139-F254 HydrophobicContact CG1-CE1 4.01Å; V139-F254 HydrophobicContact CG1-CZ 4.12Å; V139-F254 HydrophobicContact CG2-CZ 4.15Å; F250-F254 HydrophobicContact CD1-CD2 4.1Å; F250-F254 HydrophobicContact CD1-CE2 4.34Å; F250-F254 PolarHBondContact O-N 3.4Å; F254-P256 WeakPolarHBondContact O-CD 3.25Å; F254-P256 WeakPolarHBondContact O-CG 3.37Å; F254-P256 VanDerWaalsContact O-N 3.15Å
255	N	37.6	Very low	41.2	Very low	57 Å²	57	133.3 Å²	133.3	31%	0.305	63%	0.634	S	S	.	*			trans	-74.3	95.8	168.5	-164.7	-13.9	0	0	0	109.6	R251 N257	R251-N255 VanDerWaalsContact O-CB 3.27Å; R251-N255 WeakPolarHBondContact O-CB 3.35Å; N255-N257 PolarHBondContact O-N 2.96Å; N255-N257 VanDerWaalsContact O-N 3.08Å; N255-N257 VanDerWaalsContact OD1-CB 3.23Å; N255-N257 WeakPolarHBondContact OD1-CB 3.5Å; N255-N257 PolarHBondContact OD1-N 3.29Å
256	P	44.8	Very low	41.5	Very low	66 Å²	66	134.6 Å²	134.6	43%	0.429	63%	0.633	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.7	2	-178.7	2.8	21.5	0	0	0	109.9	F254 Y260	F254-P256 WeakPolarHBondContact O-CD 3.25Å; F254-P256 WeakPolarHBondContact O-CG 3.37Å; F254-P256 VanDerWaalsContact O-N 3.15Å; P256-Y260 WeakPolarHBondContact O-CB 3.39Å; P256-Y260 WeakPolarHBondContact O-CD2 3.34Å
257	N	42.4	Very low	42.3	Very low	89 Å²	89	127.8 Å²	127.8	48%	0.476	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98	-15.1	-175.3	-60.5	-33.5	0	0	0	112.9	N255 R261	N255-N257 PolarHBondContact O-N 2.96Å; N255-N257 VanDerWaalsContact O-N 3.08Å; N255-N257 VanDerWaalsContact OD1-CB 3.23Å; N255-N257 WeakPolarHBondContact OD1-CB 3.5Å; N255-N257 PolarHBondContact OD1-N 3.29Å; N257-R261 VanDerWaalsContact O-CB 3.23Å; N257-R261 WeakPolarHBondContact O-CB 3.32Å
258	N	43.2	Very low	42.3	Very low	135 Å²	135	126.5 Å²	126.5	72%	0.722	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-36.9	179.6	-101	4.7	0	0	0	114.1	Y260	N258-Y260 VanDerWaalsContact C-N 3.34Å
259	I	48	Very low	42.8	Very low	140 Å²	140	131.7 Å²	131.7	72%	0.718	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-21.7	178	-66.9	169.6	0	0	0	112
260	Y	42.5	Very low	42.8	Very low	118 Å²	118	135.1 Å²	135.1	46%	0.463	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113.6	-10.3	-162.4	-62.5	-86.1	0	0	0	115.3	P256 N258	P256-Y260 WeakPolarHBondContact O-CB 3.39Å; P256-Y260 WeakPolarHBondContact O-CD2 3.34Å; N258-Y260 VanDerWaalsContact C-N 3.34Å
261	R	39.2	Very low	42.7	Very low	184 Å²	184	136.8 Å²	136.8	69%	0.694	62%	0.617	S	S	*	*	H	α-helix	trans	-81.3	-24.7	-175.7	-155.6	175.2	-160.2	-151.8	4.3	113.3	N257 R263 V265	N257-R261 VanDerWaalsContact O-CB 3.23Å; N257-R261 WeakPolarHBondContact O-CB 3.32Å; R261-R263 PolarHBondContact O-N 3.43Å; R261-V265 HydrophobicContact CG-CG2 4Å; R261-V265 VanDerWaalsContact O-CG2 3.26Å; R261-V265 WeakPolarHBondContact O-CG2 3.38Å; R261-V265 PolarHBondContact O-N 3.47Å
262	H	44.2	Very low	42.7	Very low	148 Å²	148	132.1 Å²	132.1	69%	0.685	61%	0.613	S	S	*	*	H	α-helix	trans	-72.3	-28.9	-173.8	-128.9	-105.2	0	0	0	114.4
263	R	42.7	Very low	42.6	Very low	220 Å²	220	128.4 Å²	128.4	83%	0.83	60%	0.601	S	S	*	*	H	α-helix	trans	-81.6	-35.8	176.4	-106.5	-178.9	177.9	-175.3	-0.6	113.4	R261 I267	R261-R263 PolarHBondContact O-N 3.43Å; R263-I267 PolarHBondContact O-N 3.32Å
264	F	41.5	Very low	42.6	Very low	154 Å²	154	127 Å²	127	68%	0.675	60%	0.598	S	S	*	*	H	α-helix	trans	-79.9	-32.4	-175.3	-138.9	-91.9	0	0	0	112.8	R266 K268	F264-R266 VanDerWaalsContact C-N 3.33Å; F264-K268 WeakPolarHBondContact O-CB 3.49Å; F264-K268 PolarHBondContact O-N 2.91Å
265	V	48.7	Very low	42.3	Very low	54 Å²	54	128.8 Å²	128.8	33%	0.327	61%	0.613	S	S	.	*	H	α-helix	trans	-67.9	-33.9	176.2	173.3	0	0	0	0	111.5	R261 R269	R261-V265 HydrophobicContact CG-CG2 4Å; R261-V265 VanDerWaalsContact O-CG2 3.26Å; R261-V265 WeakPolarHBondContact O-CG2 3.38Å; R261-V265 PolarHBondContact O-N 3.47Å; V265-R269 WeakPolarHBondContact O-CB 3.37Å; V265-R269 PolarHBondContact O-N 3.4Å
266	R	42.3	Very low	42.1	Very low	181 Å²	181	130.7 Å²	130.7	68%	0.683	63%	0.631	S	S	*	*	H	α-helix	trans	-70.1	-40.8	177.8	-134.1	-174.9	-79	-169.3	-6.5	112	F264 Y270	F264-R266 VanDerWaalsContact C-N 3.33Å; R266-Y270 WeakPolarHBondContact O-CB 2.99Å; R266-Y270 PolarHBondContact O-N 3.3Å
267	I	50.8	Low	41.4	Very low	95 Å²	95	134.9 Å²	134.9	49%	0.487	65%	0.649	S	S	.	*	H	α-helix	trans	-68.8	-39.3	174.9	-67.6	169.4	0	0	0	111.1	R263 Y270 L271	R263-I267 PolarHBondContact O-N 3.32Å; I267-Y270 PolarHBondContact O-N 3.3Å; I267-L271 HydrophobicContact CG2-CD1 3.54Å; I267-L271 HydrophobicContact CG2-CG 4.3Å; I267-L271 VanDerWaalsContact O-CB 3.28Å; I267-L271 WeakPolarHBondContact O-CB 2.98Å; I267-L271 WeakPolarHBondContact O-CD1 3.31Å; I267-L271 WeakPolarHBondContact O-CG 3.33Å; I267-L271 PolarHBondContact O-N 2.71Å
268	K	39.8	Very low	41.2	Very low	152 Å²	152	137.2 Å²	137.2	66%	0.661	66%	0.657	S	S	*	*	H	α-helix	trans	-67.1	-37.7	176.5	-165	179	-179.3	-175.1	0	112.6	F264 S272	F264-K268 WeakPolarHBondContact O-CB 3.49Å; F264-K268 PolarHBondContact O-N 2.91Å; K268-S272 WeakPolarHBondContact O-CB 3.38Å; K268-S272 PolarHBondContact O-N 2.89Å; K268-S272 PolarHBondContact O-OG 2.88Å
269	R	41.6	Very low	40.5	Very low	177 Å²	177	137.9 Å²	137.9	67%	0.668	66%	0.66	S	S	*	*	H	α-helix	trans	-69.3	-36.8	174.4	-100.2	-174.8	-105.6	168.4	-8.3	113	V265 S272 S273	V265-R269 WeakPolarHBondContact O-CB 3.37Å; V265-R269 PolarHBondContact O-N 3.4Å; R269-S272 WeakPolarHBondContact CA-OG 3.47Å; R269-S272 PolarHBondContact O-N 3.1Å; R269-S272 PolarHBondContact O-OG 2.98Å; R269-S272 VanDerWaalsContact O-OG 3.04Å; R269-S273 PolarHBondContact O-N 2.78Å
270	Y	37	Very low	39.7	Very low	173 Å²	173	139.2 Å²	139.2	68%	0.678	66%	0.656	S	S	*	*	H	α-helix	trans	-69.4	-38	173.9	-168.9	-96.2	0	0	0	111.9	R266 I267 S272 S273	R266-Y270 WeakPolarHBondContact O-CB 2.99Å; R266-Y270 PolarHBondContact O-N 3.3Å; I267-Y270 PolarHBondContact O-N 3.3Å; Y270-S272 VanDerWaalsContact C-N 3.33Å; Y270-S272 PolarHBondContact O-N 2.82Å; Y270-S273 PolarHBondContact O-N 2.72Å
271	L	40.1	Very low	39	Very low	127 Å²	127	140.5 Å²	140.5	67%	0.665	67%	0.67	S	S	*	*	H	α-helix	trans	-74.1	-18.9	176.8	-74	165.2	0	0	0	113.8	I267	I267-L271 HydrophobicContact CG2-CD1 3.54Å; I267-L271 HydrophobicContact CG2-CG 4.3Å; I267-L271 VanDerWaalsContact O-CB 3.28Å; I267-L271 WeakPolarHBondContact O-CB 2.98Å; I267-L271 WeakPolarHBondContact O-CD1 3.31Å; I267-L271 WeakPolarHBondContact O-CG 3.33Å; I267-L271 PolarHBondContact O-N 2.71Å
272	S	40.4	Very low	38.5	Very low	94 Å²	94	139.7 Å²	139.7	66%	0.657	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-9.1	175.1	61.4	0	0	0	0	114	K268 R269 Y270	K268-S272 WeakPolarHBondContact O-CB 3.38Å; K268-S272 PolarHBondContact O-N 2.89Å; K268-S272 PolarHBondContact O-OG 2.88Å; R269-S272 WeakPolarHBondContact CA-OG 3.47Å; R269-S272 PolarHBondContact O-N 3.1Å; R269-S272 PolarHBondContact O-OG 2.98Å; R269-S272 VanDerWaalsContact O-OG 3.04Å; Y270-S272 VanDerWaalsContact C-N 3.33Å; Y270-S272 PolarHBondContact O-N 2.82Å
273	S	40.7	Very low	37.9	Very low	91 Å²	91	137.1 Å²	137.1	64%	0.636	67%	0.666	S	S	*	*	S	Bend	trans	-104	2.9	-179.7	95.9	0	0	0	0	114.2	R269 Y270	R269-S273 PolarHBondContact O-N 2.78Å; Y270-S273 PolarHBondContact O-N 2.72Å
274	V	43.1	Very low	37.4	Very low	99 Å²	99	131.1 Å²	131.1	60%	0.6	66%	0.658	S	S	*	*	S	Bend	trans	-112.3	93.6	179.1	-177.5	0	0	0	0	109.4
275	N	36.7	Very low	36.8	Very low	151 Å²	151	133 Å²	133	81%	0.807	67%	0.666	S	S	*	*			trans	24.8	111.6	162.8	-89	-16.8	0	0	0	119.9
276	S	34.1	Very low	36	Very low	97 Å²	97	133.7 Å²	133.7	68%	0.678	67%	0.673	S	S	*	*	S	Bend	trans	-30.4	138.6	142.9	-179.1	0	0	0	0	113.2
277	N	30.8	Very low	35.7	Very low	153 Å²	153	137.3 Å²	137.3	82%	0.818	69%	0.686	S	S	*	*	S	Bend	trans	89.7	25.5	166.8	-56.9	-24	0	0	0	121.5
278	Q	37.6	Very low	35.1	Very low	139 Å²	139	141.6 Å²	141.6	65%	0.65	70%	0.704	S	S	*	*			trans	-133.6	115.9	158.7	-75	-162.6	-9	0	0	113.8	R280	Q278-R280 VanDerWaalsContact C-N 3.32Å; Q278-R280 HydrophobicContact CB-CG 4.46Å; Q278-R280 PolarHBondContact O-N 3.1Å
279	L	29	Very low	34.8	Very low	148 Å²	148	138 Å²	138	78%	0.775	70%	0.698	S	S	*	*			trans	-63.7	84.7	169.7	-165.8	87.9	0	0	0	109.7
280	R	29.9	Very low	34.3	Very low	168 Å²	168	139.6 Å²	139.6	63%	0.634	71%	0.709	S	S	*	*			trans	-102.4	112.8	173.3	-72.7	-170.1	-167	-164.4	4.9	110.6	Q278 F282	Q278-R280 VanDerWaalsContact C-N 3.32Å; Q278-R280 HydrophobicContact CB-CG 4.46Å; Q278-R280 PolarHBondContact O-N 3.1Å; R280-F282 HydrophobicContact CB-CD2 3.87Å; R280-F282 HydrophobicContact CB-CE2 3.48Å; R280-F282 VanDerWaalsContact CB-CE2 3.48Å; R280-F282 HydrophobicContact CB-CZ 4.2Å; R280-F282 HydrophobicContact CG-CE2 4.44Å; R280-F282 WeakPolarHBondContact O-CD2 3.28Å; R280-F282 PolarHBondContact O-N 2.87Å; R280-F282 VanDerWaalsContact O-N 3.08Å
281	L	28.2	Very low	34.1	Very low	145 Å²	145	137.3 Å²	137.3	76%	0.759	71%	0.708	S	S	*	*			trans	-67.5	97.9	168.7	-129.3	124.6	0	0	0	108.3	V283	L281-V283 PolarHBondContact O-N 3.36Å
282	F	29.3	Very low	33.6	Very low	167 Å²	167	135.4 Å²	135.4	73%	0.732	71%	0.705	S	S	*	*			trans	-86.8	105	176.8	-82.5	-81.8	0	0	0	110.8	R280 S284	R280-F282 HydrophobicContact CB-CD2 3.87Å; R280-F282 HydrophobicContact CB-CE2 3.48Å; R280-F282 VanDerWaalsContact CB-CE2 3.48Å; R280-F282 HydrophobicContact CB-CZ 4.2Å; R280-F282 HydrophobicContact CG-CE2 4.44Å; R280-F282 WeakPolarHBondContact O-CD2 3.28Å; R280-F282 PolarHBondContact O-N 2.87Å; R280-F282 VanDerWaalsContact O-N 3.08Å; F282-S284 PolarHBondContact O-N 3.03Å
283	V	31.1	Very low	33.3	Very low	94 Å²	94	136.9 Å²	136.9	57%	0.57	70%	0.704	S	S	*	*			trans	-78.6	103.1	166.8	177	0	0	0	0	108.2	L281 K285	L281-V283 PolarHBondContact O-N 3.36Å; V283-K285 PolarHBondContact O-N 3.43Å
284	S	32.8	Very low	32.9	Very low	94 Å²	94	136.5 Å²	136.5	66%	0.657	71%	0.706	S	S	*	*			trans	-77.5	105.8	168.2	-177.3	0	0	0	0	109.4	F282 C286	F282-S284 PolarHBondContact O-N 3.03Å; S284-C286 PolarHBondContact O-N 3.25Å
285	K	28.1	Very low	32.4	Very low	195 Å²	195	137.2 Å²	137.2	85%	0.848	71%	0.714	S	S	*	*			trans	-68.4	91	168	-100.5	178.9	176.2	171.7	0	108.9	V283 R287	V283-K285 PolarHBondContact O-N 3.43Å; K285-R287 PolarHBondContact O-N 3.18Å
286	C	32.5	Very low	32.2	Very low	68 Å²	68	135.5 Å²	135.5	46%	0.459	71%	0.71	S	S	.	*	B	Isolated β-bridge	trans	-78	110.3	162.9	-173.7	0	0	0	0	108.4	S284 Q288 C289	S284-C286 PolarHBondContact O-N 3.25Å; C286-Q288 PolarHBondContact O-N 3.26Å; C286-C289 HydrophobicContact CB-CB 4.35Å; C286-C289 WeakPolarHBondContact CB-O 3.26Å; C286-C289 CarbonylContact O-C 3.55Å; C286-C289 PolarHBondContact O-N 3.04Å; C286-C289 VanDerWaalsContact O-N 3.17Å
287	R	35	Very low	32.1	Very low	256 Å²	256	136.8 Å²	136.8	97%	0.966	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-3.1	-178	-98.7	-178.3	176.2	177.4	-1	114.7	K285	K285-R287 PolarHBondContact O-N 3.18Å
288	Q	39	Very low	32.2	Very low	185 Å²	185	135.4 Å²	135.4	86%	0.864	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.5	-1.6	177.9	-73.5	178.1	-16.9	0	0	114.6	C286	C286-Q288 PolarHBondContact O-N 3.26Å
289	C	33.4	Very low	32.1	Very low	78 Å²	78	137 Å²	137	53%	0.527	72%	0.724	S	S	.	*	B	Isolated β-bridge	trans	-143.9	109.6	174.5	-71.3	0	0	0	0	109	C286 L291	C286-C289 HydrophobicContact CB-CB 4.35Å; C286-C289 WeakPolarHBondContact CB-O 3.26Å; C286-C289 CarbonylContact O-C 3.55Å; C286-C289 PolarHBondContact O-N 3.04Å; C286-C289 VanDerWaalsContact O-N 3.17Å; C289-L291 PolarHBondContact O-N 3.37Å
290	K	31.3	Very low	32.1	Very low	209 Å²	209	141 Å²	141	91%	0.909	73%	0.729	S	S	*	*			trans	-75.6	49.2	173.1	-67.8	-176.6	-179.7	176.2	0	112
291	L	32.3	Very low	32.1	Very low	126 Å²	126	143.4 Å²	143.4	66%	0.66	74%	0.738	S	S	*	*			trans	-104	110.1	174	-170.4	74.1	0	0	0	109.1	C289 I293	C289-L291 PolarHBondContact O-N 3.37Å; L291-I293 HydrophobicContact CD2-CD1 4.23Å; L291-I293 HydrophobicContact CD2-CG1 4.19Å; L291-I293 HydrophobicContact CG-CG1 4.32Å
292	C	31.3	Very low	32.2	Very low	87 Å²	87	143.2 Å²	143.2	59%	0.588	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-90.8	119.3	170	-64.3	0	0	0	0	108.7
293	I	34.2	Very low	32.4	Very low	124 Å²	124	142.3 Å²	142.3	64%	0.636	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-103.3	116.2	169.6	-59.1	174.5	0	0	0	106.8	L291	L291-I293 HydrophobicContact CD2-CD1 4.23Å; L291-I293 HydrophobicContact CD2-CG1 4.19Å; L291-I293 HydrophobicContact CG-CG1 4.32Å
294	A	31.4	Very low	32.2	Very low	84 Å²	84	145.5 Å²	145.5	69%	0.694	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-87.4	123.4	167.8	0	0	0	0	0	108.8
295	C	32.1	Very low	32.1	Very low	113 Å²	113	145.5 Å²	145.5	76%	0.764	75%	0.753	S	S	*	*			trans	-116.5	123.2	170.7	-67.4	0	0	0	0	108.8
296	T	33.4	Very low	32.2	Very low	116 Å²	116	145.4 Å²	145.4	71%	0.712	75%	0.753	S	S	*	*			trans	-96.9	133.2	167.9	53.5	0	0	0	0	109	C298	T296-C298 PolarHBondContact O-N 3.49Å
297	P	31.5	Very low	32	Very low	123 Å²	123	151 Å²	151	80%	0.799	77%	0.77	S	S	*	*			trans	-68	123.9	171.2	27.7	-29.5	0	0	0	108.7
298	C	32	Very low	31.9	Very low	124 Å²	124	144.1 Å²	144.1	84%	0.838	76%	0.758	S	S	*	*			trans	-95.4	109.7	168.2	-127.4	0	0	0	0	107.2	T296 R300	T296-C298 PolarHBondContact O-N 3.49Å; C298-R300 PolarHBondContact O-N 3.5Å
299	E	35.7	Very low	31.2	Very low	174 Å²	174	141.8 Å²	141.8	81%	0.813	76%	0.756	S	S	*	*			trans	-62.5	122	165	-78.8	-174.8	160.4	0	0	109	R301	E299-R301 PolarHBondContact O-N 2.82Å; E299-R301 VanDerWaalsContact O-N 3.16Å
300	R	30.1	Very low	31.1	Very low	232 Å²	232	144.3 Å²	144.3	88%	0.875	77%	0.769	S	S	*	*			trans	-80.4	90.7	172	-153.3	-176.2	-146.3	-175.6	3.5	106.9	C298 N302	C298-R300 PolarHBondContact O-N 3.5Å; R300-N302 PolarHBondContact O-N 3.4Å
301	R	30.5	Very low	30.9	Very low	217 Å²	217	143.1 Å²	143.1	82%	0.819	77%	0.767	S	S	*	*			trans	-68.1	101.9	166.1	-98.1	-174.6	-176.4	173	0.6	108.4	E299 N303	E299-R301 PolarHBondContact O-N 2.82Å; E299-R301 VanDerWaalsContact O-N 3.16Å; R301-N303 PolarHBondContact O-N 2.67Å
302	N	28.9	Very low	30.8	Very low	142 Å²	142	142.9 Å²	142.9	76%	0.759	78%	0.776	S	S	*	*			trans	-69.2	100	156.8	-75.4	-14	0	0	0	106.8	R300	R300-N302 PolarHBondContact O-N 3.4Å
303	N	32.9	Very low	30.5	Very low	148 Å²	148	149.2 Å²	149.2	79%	0.791	79%	0.789	S	S	*	*			trans	-124.5	130.5	158.6	-95.6	-6.2	0	0	0	109.4	R301	R301-N303 PolarHBondContact O-N 2.67Å
304	L	27.4	Very low	30.1	Very low	160 Å²	160	147.2 Å²	147.2	84%	0.838	79%	0.786	S	S	*	*			trans	-83.1	130.4	-166	-168.1	79	0	0	0	109.7
305	S	32.2	Very low	30	Very low	94 Å²	94	151.9 Å²	151.9	66%	0.657	79%	0.793	S	S	*	*			trans	-152.4	92.3	150.1	62.7	0	0	0	0	108.8	F307	S305-F307 PolarHBondContact O-N 3.26Å
306	K	30.3	Very low	29.7	Very low	193 Å²	193	151 Å²	151	84%	0.839	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-56.6	119.7	158	-75.5	175.7	173.3	179	0	107.1
307	F	28.3	Very low	29.5	Very low	187 Å²	187	150.7 Å²	150.7	82%	0.82	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-91.7	121.6	157.4	-89	-86.3	0	0	0	107.3	S305	S305-F307 PolarHBondContact O-N 3.26Å
308	P	31	Very low	29.3	Very low	110 Å²	110	153 Å²	153	71%	0.714	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-74.6	132.6	172.1	29.9	-28.6	0	0	0	109.2
309	V	25.8	Very low	29.2	Very low	136 Å²	136	153.7 Å²	153.7	82%	0.824	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-74.8	123.2	165.1	174.1	0	0	0	0	107
310	T	31.2	Very low	28.7	Very low	132 Å²	132	150.4 Å²	150.4	81%	0.81	79%	0.785	S	S	*	*			trans	-138.9	117.7	161.4	6.3	0	0	0	0	109.1
311	Q	26.8	Very low	28.6	Very low	183 Å²	183	148.1 Å²	148.1	86%	0.855	78%	0.782	S	S	*	*			trans	-70.5	139.3	168.3	-68.9	167.2	-41.6	0	0	109.6
312	S	29.7	Very low	28.4	Very low	122 Å²	122	142 Å²	142	85%	0.853	77%	0.773	S	S	*	*				176.5	158.8	122.9	54.1	0	0	0	0	113.1
313	Y	26.1	Very low	28.5	Very low	220 Å²	220	142.1 Å²	142.1	86%	0.863	77%	0.773	S	S	*	*			trans	-60.6	143.4	-163.2	-95.4	-114.8	0	0	0	119.5
314	S	25.8	Very low	28.2	Very low	82 Å²	82	141.6 Å²	141.6	57%	0.573	77%	0.766	S	S	*	*			trans	27.3	136.2	136.1	64.8	0	0	0	0	124.2
315	Q	27.5	Very low	28	Very low	181 Å²	181	144.5 Å²	144.5	85%	0.846	77%	0.766	S	S	*	*			trans	71.7	141.7	139.3	-79.1	175.7	-20.2	0	0	117
316	S	27.4	Very low	27.9	Very low	96 Å²	96	144.6 Å²	144.6	67%	0.671	77%	0.772	S	S	*	*			cis	-178.2	171.1	8	33.2	0	0	0	0	109.3
317	S	29.2	Very low	27.8	Very low	108 Å²	108	142.4 Å²	142.4	76%	0.755	77%	0.774	S	S	*	*			trans	77.6	120.6	162.8	71.8	0	0	0	0	116.7
318	M	26	Very low	27.7	Very low	173 Å²	173	141.5 Å²	141.5	85%	0.852	77%	0.773	S	S	*	*			cis	105.7	146.7	45.1	-96.2	-173	106.4	0	0	111.6
319	N	29.8	Very low	27.6	Very low	137 Å²	137	141.7 Å²	141.7	73%	0.733	77%	0.774	S	S	*	*			trans	97.7	109.7	167.8	-58.8	-15	0	0	0	114.8
320	S	26.9	Very low	27.4	Very low	106 Å²	106	143 Å²	143	74%	0.741	77%	0.771	S	S	*	*				108.4	148.7	75.8	68.9	0	0	0	0	106.2
321	F	27.4	Very low	27.1	Very low	184 Å²	184	147.8 Å²	147.8	81%	0.807	78%	0.775	S	S	*	*			cis	-170.4	154.3	14.3	-145.3	-117.9	0	0	0	106.4
322	S	26.9	Very low	27.1	Very low	89 Å²	89	147.3 Å²	147.3	62%	0.622	78%	0.778	S	S	*	*			trans	44.3	141.4	146.4	60.2	0	0	0	0	121.7
323	N	29.7	Very low	26.9	Very low	144 Å²	144	147 Å²	147	77%	0.77	77%	0.771	S	S	*	*			cis	-170.4	148	36	-128.1	-0.5	0	0	0	110.8
324	E	27.6	Very low	27.1	Very low	136 Å²	136	142.4 Å²	142.4	64%	0.636	77%	0.77	S	S	*	*			trans	17.3	127.6	155.3	-63.6	-170.4	117.5	0	0	126.5
325	R	23.2	Very low	27.2	Very low	222 Å²	222	146.5 Å²	146.5	84%	0.838	78%	0.781	S	S	*	*				48.4	116.9	129.8	-74.8	-174.2	-95.2	-169.4	-6	122.5
326	A	28.4	Very low	27.2	Very low	95 Å²	95	144.2 Å²	144.2	79%	0.785	78%	0.779	S	S	*	*				-164.3	116.7	124.6	0	0	0	0	0	112.7
327	V	28.8	Very low	27.3	Very low	147 Å²	147	145.5 Å²	145.5	89%	0.891	79%	0.785	S	S	*	*			trans	41.7	117.3	137.4	-171	0	0	0	0	120.9
328	Q	27	Very low	27.1	Very low	168 Å²	168	150.1 Å²	150.1	79%	0.785	79%	0.792	S	S	*	*			trans	-64.7	162.3	164.8	-82.9	-104.9	-18.1	0	0	112.8
329	P	27.8	Very low	27.3	Very low	115 Å²	115	150.9 Å²	150.9	75%	0.747	79%	0.793	S	S	*	*			cis	-148	161.2	46	36.6	-13.6	0	0	0	119.1
330	E	23.3	Very low	27.1	Very low	163 Å²	163	153.6 Å²	153.6	76%	0.762	80%	0.801	S	S	*	*			trans	42.3	113.1	144.3	-157.7	169.4	-144.4	0	0	120.1
331	W	24.4	Very low	27.1	Very low	233 Å²	233	154.4 Å²	154.4	88%	0.883	80%	0.802	S	S	*	*			trans	-174.2	118.3	134.7	-86.5	102.5	0	0	0	107.7
332	N	26.5	Very low	27	Very low	173 Å²	173	155.3 Å²	155.3	93%	0.925	81%	0.805	S	S	*	*			trans	-119.3	109.3	166.3	-103.2	-11.1	0	0	0	110
333	V	25.6	Very low	26.9	Very low	115 Å²	115	160.2 Å²	160.2	70%	0.697	82%	0.816	S	S	*	*			trans	-93.7	140.4	170.8	172.9	0	0	0	0	108.4
334	S	29.9	Very low	26.7	Very low	123 Å²	123	160 Å²	160	86%	0.86	81%	0.813	S	S	*	*			trans	-175.2	148.1	134.3	56	0	0	0	0	112.5
335	E	28.7	Very low	26.7	Very low	168 Å²	168	158 Å²	158	79%	0.785	81%	0.812	S	S	*	*			trans	-94	141.3	-154.5	-62.8	169.1	129.6	0	0	115.1
336	T	27.4	Very low	26.8	Very low	134 Å²	134	156.8 Å²	156.8	82%	0.822	82%	0.818	S	S	*	*			trans	58.2	164.1	141.7	66.8	0	0	0	0	120.6
337	P	28.8	Very low	26.7	Very low	122 Å²	122	160.6 Å²	160.6	79%	0.792	82%	0.817	S	S	*	*			cis	-129.9	168.5	6	35.9	-15.3	0	0	0	116.5
338	K	25.8	Very low	26.4	Very low	206 Å²	206	164.5 Å²	164.5	90%	0.896	82%	0.816	S	S	*	*			trans	-57.8	126.5	-175.1	-61.7	168.8	178.9	173.5	0	114.2
339	Q	29	Very low	26.4	Very low	189 Å²	189	163.3 Å²	163.3	88%	0.883	81%	0.814	S	S	*	*			trans	-132.3	114	157.7	-84.9	-171.9	-7.5	0	0	111.6	T341	Q339-T341 PolarHBondContact O-N 3.36Å
340	H	25.3	Very low	26.3	Very low	194 Å²	194	163.8 Å²	163.8	90%	0.898	82%	0.815	S	S	*	*			trans	-56.8	115.8	172.9	-85.3	-84.6	0	0	0	111.9
341	T	28.3	Very low	26.5	Very low	122 Å²	122	163.4 Å²	163.4	75%	0.748	82%	0.815	S	S	*	*			trans	-110.2	103.1	163.8	16.3	0	0	0	0	109.2	Q339 F343	Q339-T341 PolarHBondContact O-N 3.36Å; T341-F343 PolarHBondContact O-N 3.4Å
342	K	25.1	Very low	26.6	Very low	204 Å²	204	160.7 Å²	160.7	89%	0.887	82%	0.816	S	S	*	*			trans	-71.1	118.5	169.3	-90.6	-178.8	174.8	176.5	0	109.3
343	F	24.6	Very low	26.6	Very low	191 Å²	191	162 Å²	162	84%	0.838	81%	0.808	S	S	*	*			trans	-74.1	135.2	170.1	-76.1	-100.2	0	0	0	110.6	T341	T341-F343 PolarHBondContact O-N 3.4Å
344	I	26.2	Very low	26.6	Very low	141 Å²	141	167.8 Å²	167.8	72%	0.723	82%	0.818	S	S	*	*			trans	-125.9	122.5	166.1	-60	178	0	0	0	108.2
345	P	27	Very low	26.5	Very low	93 Å²	93	167.6 Å²	167.6	60%	0.604	81%	0.812	S	S	*	*			trans	-76.4	141.3	178.7	31.5	-33	0	0	0	111.1	F347	P345-F347 HydrophobicContact CB-CE2 4.27Å; P345-F347 HydrophobicContact CG-CE2 3.86Å
346	M	24.8	Very low	26.5	Very low	196 Å²	196	164.5 Å²	164.5	97%	0.966	80%	0.804	S	S	*	*			trans	-98.2	113.2	177.6	-155.9	-176.8	-66.3	0	0	109.2
347	F	26.2	Very low	26.6	Very low	176 Å²	176	168.4 Å²	168.4	77%	0.772	81%	0.81	S	S	*	*			trans	-92.1	141.1	178.3	-72.8	-85.6	0	0	0	112.1	P345	P345-F347 HydrophobicContact CB-CE2 4.27Å; P345-F347 HydrophobicContact CG-CE2 3.86Å
348	R	23.3	Very low	26.8	Very low	228 Å²	228	166 Å²	166	86%	0.86	80%	0.796	S	S	*	*			trans	-79.8	112.3	174.9	-155.6	179.8	-167.2	-174.1	3.9	108.6	T350	R348-T350 PolarHBondContact O-N 2.85Å
349	I	26.6	Very low	27.1	Very low	144 Å²	144	162.7 Å²	162.7	74%	0.738	79%	0.788	S	S	*	*			trans	-90.6	104.2	175.6	-59.5	176.9	0	0	0	109	M351	I349-M351 HydrophobicContact CG2-SD 4.46Å
350	T	25.4	Very low	27.3	Very low	125 Å²	125	158.1 Å²	158.1	77%	0.767	77%	0.769	S	S	*	*			trans	-78.6	115.2	168.8	-36.8	0	0	0	0	108.6	R348 L352	R348-T350 PolarHBondContact O-N 2.85Å; T350-L352 PolarHBondContact O-N 2.99Å
351	M	27.2	Very low	27.5	Very low	155 Å²	155	156.1 Å²	156.1	76%	0.764	77%	0.765	S	S	*	*			trans	-79.4	110.8	-177.9	-72.9	-80	-89.9	0	0	111.1	I349 R353	I349-M351 HydrophobicContact CG2-SD 4.46Å; M351-R353 PolarHBondContact O-N 3.36Å
352	L	27.4	Very low	27.7	Very low	175 Å²	175	154.2 Å²	154.2	92%	0.916	75%	0.75	S	S	*	*			trans	-65.1	125.6	170	-112.8	97.6	0	0	0	111.1	T350 R354	T350-L352 PolarHBondContact O-N 2.99Å; L352-R354 PolarHBondContact O-N 3.44Å
353	R	26.9	Very low	27.9	Very low	201 Å²	201	153.7 Å²	153.7	76%	0.758	75%	0.749	S	S	*	*			trans	-80.4	109.1	-179.9	-168.6	-179.2	-161.6	167.2	5.3	110.3	M351	M351-R353 PolarHBondContact O-N 3.36Å
354	R	25.5	Very low	28	Very low	236 Å²	236	149.2 Å²	149.2	89%	0.891	74%	0.741	S	S	*	*			trans	-95.6	116.7	163.4	-144	176.1	-157.4	165.9	5.3	109.4	L352	L352-R354 PolarHBondContact O-N 3.44Å
355	T	26.4	Very low	27.9	Very low	120 Å²	120	150.8 Å²	150.8	74%	0.736	75%	0.747	S	S	*	*			trans	-66.5	124	-174.6	38.1	0	0	0	0	112.3
356	T	29.4	Very low	27.8	Very low	103 Å²	103	152.4 Å²	152.4	63%	0.632	75%	0.745	S	S	*	*			trans	-133.3	123.2	155.1	42.9	0	0	0	0	107.4	S358	T356-S358 VanDerWaalsContact C-N 3.27Å; T356-S358 PolarHBondContact O-N 3.4Å; T356-S358 VanDerWaalsContact O-N 3.13Å
357	K	30.5	Very low	27.8	Very low	215 Å²	215	149.2 Å²	149.2	94%	0.935	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	16.4	-154.1	-134.8	174.2	-177.8	-180	0	114.4
358	S	32.5	Very low	27.8	Very low	71 Å²	71	146.1 Å²	146.1	50%	0.497	73%	0.731	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.4	-12.2	-166.5	55.1	0	0	0	0	117.2	T356	T356-S358 VanDerWaalsContact C-N 3.27Å; T356-S358 PolarHBondContact O-N 3.4Å; T356-S358 VanDerWaalsContact O-N 3.13Å
359	D	31.7	Very low	28	Very low	137 Å²	137	143.1 Å²	143.1	73%	0.733	73%	0.727	S	S	*	*	S	Bend	trans	-118.5	11.1	-173.2	-69.6	-31.7	0	0	0	114.4	N361	D359-N361 PolarHBondContact O-N 2.92Å
360	L	32	Very low	27.9	Very low	93 Å²	93	144.2 Å²	144.2	49%	0.487	73%	0.729	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.9	-3.4	-170.7	-100.1	103.3	0	0	0	116.5
361	N	31.3	Very low	28	Very low	153 Å²	153	143.2 Å²	143.2	82%	0.818	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	5	-171.5	-74.3	2.1	0	0	0	115.6	D359	D359-N361 PolarHBondContact O-N 2.92Å
362	D	32	Very low	27.9	Very low	82 Å²	82	142.2 Å²	142.2	44%	0.439	73%	0.73	S	S	.	*	S	Bend	trans	-107.7	5.5	175	-121.9	-24.7	0	0	0	113.3	R454	D362-R454 IonicContact OD1-CZ 3.09Å; D362-R454 IonicContact OD1-NH1 3.41Å; D362-R454 IonicContact OD1-NH2 2.96Å; D362-R454 PolarHBondContact OD1-NH2 3.04Å; D362-R454 VanDerWaalsContact OD1-NH2 3.07Å
363	F	29.4	Very low	28	Very low	193 Å²	193	142.5 Å²	142.5	85%	0.846	73%	0.726	S	S	*	*	S	Bend	trans	-146.1	53.1	-180	-94.6	-85.6	0	0	0	112.5
364	S	26	Very low	27.9	Very low	96 Å²	96	140.1 Å²	140.1	67%	0.671	73%	0.728	S	S	*	*			trans	-111.2	103	170.2	59	0	0	0	0	110
365	M	25	Very low	27.8	Very low	174 Å²	174	135 Å²	135	86%	0.857	72%	0.724	S	S	*	*			trans	154.2	100.9	139.7	-165.3	173.3	-156	0	0	108.6
366	F	24.5	Very low	27.8	Very low	127 Å²	127	138.8 Å²	138.8	56%	0.557	73%	0.733	S	S	*	*			trans	-175.2	93.8	141.7	-96.5	-63.8	0	0	0	108.3	V368 L450	F366-V368 HydrophobicContact CD1-CG2 4.12Å; F366-L450 HydrophobicContact CE2-CD1 4.11Å
367	V	24.4	Very low	27.6	Very low	130 Å²	130	138.5 Å²	138.5	79%	0.788	74%	0.741	S	S	*	*			trans	-89.8	119.1	152.5	175.1	0	0	0	0	104.5
368	V	26.9	Very low	27.2	Very low	110 Å²	110	133.9 Å²	133.9	67%	0.667	74%	0.735	S	S	*	*			trans	-108.6	112.3	166.2	175.7	0	0	0	0	105.4	F366	F366-V368 HydrophobicContact CD1-CG2 4.12Å
369	H	27.3	Very low	26.8	Very low	165 Å²	165	137.5 Å²	137.5	76%	0.764	75%	0.754	S	S	*	*			trans	-60.9	130.9	168.8	-108.2	-95.6	0	0	0	109	S371	H369-S371 PolarHBondContact O-N 2.97Å
370	E	25	Very low	26.4	Very low	168 Å²	168	136.2 Å²	136.2	79%	0.785	76%	0.756	S	S	*	*			trans	-86.1	94.8	172.5	-168.2	169.5	-157.7	0	0	106.8
371	S	27.6	Very low	26.2	Very low	104 Å²	104	137 Å²	137	73%	0.727	77%	0.767	S	S	*	*			trans	-103.1	95.6	165	52.4	0	0	0	0	107.8	H369 E373	H369-S371 PolarHBondContact O-N 2.97Å; S371-E373 PolarHBondContact O-N 2.86Å
372	T	24.6	Very low	25.9	Very low	133 Å²	133	135.9 Å²	135.9	82%	0.816	77%	0.765	S	S	*	*			trans	-62.2	102.4	156.6	18.4	0	0	0	0	107.9
373	E	28.6	Very low	25.7	Very low	181 Å²	181	135.9 Å²	135.9	85%	0.846	78%	0.776	S	S	*	*			trans	-145.3	142.9	158.2	-117.4	168.5	-160.2	0	0	109.9	S371	S371-E373 PolarHBondContact O-N 2.86Å
374	N	26.3	Very low	25.4	Very low	151 Å²	151	135.3 Å²	135.3	81%	0.807	78%	0.776	S	S	*	*			trans	-72.2	147.7	-156.9	-63	-51	0	0	0	112.9
375	T	23.1	Very low	25.6	Very low	129 Å²	129	137.6 Å²	137.6	79%	0.791	79%	0.786	S	S	*	*			trans	5.3	117.5	147.8	-12.9	0	0	0	0	116.7
376	E	26.7	Very low	25.6	Very low	199 Å²	199	138.1 Å²	138.1	93%	0.93	78%	0.784	S	S	*	*			trans	-169.6	164.7	130.2	-105.2	165.6	-156	0	0	113.5
377	A	24.9	Very low	25.7	Very low	98 Å²	98	138.7 Å²	138.7	81%	0.81	79%	0.792	S	S	*	*			trans	-59.2	160.9	-151	0	0	0	0	0	120.8
378	C	20.7	Very low	25.8	Very low	118 Å²	118	140.4 Å²	140.4	80%	0.797	80%	0.797	S	S	*	*			trans	-45.9	143.8	170.2	-64.1	0	0	0	0	116
379	T	25.4	Very low	25.9	Very low	147 Å²	147	142.2 Å²	142.2	90%	0.902	80%	0.802	S	S	*	*				-177.1	132.6	121.5	24	0	0	0	0	110.9
380	S	22.1	Very low	25.9	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	80%	0.803	S	S	*	*			trans	-100.3	169	162.9	51	0	0	0	0	108.5
381	P	29.2	Very low	26.1	Very low	111 Å²	111	141.2 Å²	141.2	72%	0.721	80%	0.804	S	S	*	*			cis	-142.1	-162.4	12.3	36.4	-12.5	0	0	0	114.4
382	T	25	Very low	26.1	Very low	129 Å²	129	145.2 Å²	145.2	79%	0.791	81%	0.812	S	S	*	*			trans	111.3	124	144.2	0.8	0	0	0	0	120.7
383	A	26.8	Very low	26.4	Very low	81 Å²	81	147.9 Å²	147.9	67%	0.669	81%	0.814	S	S	*	*			trans	74.3	111.9	142.4	0	0	0	0	0	121.8
384	H	24.2	Very low	26.4	Very low	181 Å²	181	144 Å²	144	84%	0.838	81%	0.807	S	S	*	*				30.5	117.7	129.8	-72.8	-82.2	0	0	0	119.3
385	T	29.3	Very low	26.6	Very low	144 Å²	144	145.1 Å²	145.1	88%	0.883	81%	0.812	S	S	*	*				-169.8	153.3	106	6.3	0	0	0	0	111.1
386	K	25.3	Very low	26.9	Very low	186 Å²	186	148.6 Å²	148.6	81%	0.809	82%	0.82	S	S	*	*			trans	-55	140.3	168.3	-58.9	162.8	170.2	171.1	0	108
387	D	25.6	Very low	27.2	Very low	138 Å²	138	143.6 Å²	143.6	74%	0.738	81%	0.812	S	S	*	*				-171.7	146.4	79.3	-74.6	-46.8	0	0	0	107.1
388	D	28.1	Very low	27.6	Very low	166 Å²	166	145.6 Å²	145.6	89%	0.888	81%	0.814	S	S	*	*			trans	-179.6	110.2	136.3	-90	-21.8	0	0	0	111.4
389	I	28	Very low	28.1	Very low	149 Å²	149	149.2 Å²	149.2	76%	0.764	82%	0.819	S	S	*	*			trans	-75.4	162.2	162.7	-56.6	174	0	0	0	106.3
390	I	27.4	Very low	28.4	Very low	152 Å²	152	151.4 Å²	151.4	78%	0.779	82%	0.816	S	S	*	*			trans	85.5	75.8	159.8	-38.1	173	0	0	0	116.7
391	I	29.2	Very low	29	Very low	160 Å²	160	152.6 Å²	152.6	82%	0.821	82%	0.819	S	S	*	*			trans	-149	85.4	141.8	-51.8	-177.4	0	0	0	109.3
392	E	27	Very low	29.3	Very low	188 Å²	188	153 Å²	153	88%	0.879	82%	0.82	S	S	*	*	S	Bend	trans	-140.6	28	167	-141.8	-178.7	-165.5	0	0	114
393	H	30.6	Very low	29.7	Very low	188 Å²	188	154.4 Å²	154.4	87%	0.87	82%	0.822	S	S	*	*	S	Bend	trans	-142.5	27.4	-173.1	-123.1	-92.7	0	0	0	119.5
394	S	29.5	Very low	30.4	Very low	101 Å²	101	156.8 Å²	156.8	71%	0.706	83%	0.828	S	S	*	*			trans	-136	15.6	-175	51.8	0	0	0	0	118.4
395	L	30.3	Very low	31.3	Very low	173 Å²	173	151.8 Å²	151.8	91%	0.906	82%	0.819	S	S	*	*			trans	-116.7	37.9	-171.5	-103.5	149.4	0	0	0	116.5
396	Q	29.2	Very low	31.9	Very low	203 Å²	203	150.9 Å²	150.9	95%	0.949	81%	0.808	S	S	*	*	S	Bend	trans	-121.9	9.7	176.5	-96.1	-176.3	-4.4	0	0	117.5
397	A	32.6	Very low	32.5	Very low	94 Å²	94	147.6 Å²	147.6	78%	0.777	80%	0.799	S	S	*	*	S	Bend	trans	-117.2	0.4	-173.1	0	0	0	0	0	117.9
398	V	33.4	Very low	33.3	Very low	140 Å²	140	146.9 Å²	146.9	85%	0.848	80%	0.795	S	S	*	*			trans	-121	62.1	-173.4	-167.5	0	0	0	0	112
399	H	32.6	Very low	33.9	Very low	193 Å²	193	149 Å²	149	89%	0.894	79%	0.79	S	S	*	*			trans	-140.1	73.6	168.5	-111	-63.4	0	0	0	110.2
400	K	31.7	Very low	34.7	Very low	194 Å²	194	147.5 Å²	147.5	84%	0.843	78%	0.78	S	S	*	*	S	Bend	trans	-168.2	145.5	156.5	-102.8	161.8	-175.8	-175.6	0	106.2
401	T	33.4	Very low	35.3	Very low	134 Å²	134	147.3 Å²	147.3	82%	0.822	77%	0.774	S	S	*	*	S	Bend	trans	72.8	75.5	-179.3	63.6	0	0	0	0	117.9
402	T	36	Very low	35.9	Very low	120 Å²	120	145 Å²	145	74%	0.736	76%	0.763	S	S	*	*			trans	-175.5	51	143.9	16.8	0	0	0	0	114.1
403	D	34.4	Very low	36.3	Very low	158 Å²	158	145 Å²	145	85%	0.845	76%	0.756	S	S	*	*	S	Bend	trans	-102	4.2	-178.8	-81.2	-36.3	0	0	0	116.1
404	T	40.9	Very low	36.7	Very low	130 Å²	130	142.4 Å²	142.4	80%	0.798	75%	0.745	S	S	*	*	S	Bend	trans	-117.4	-14	-174	-7.2	0	0	0	0	115.6
405	A	43.3	Very low	37.2	Very low	77 Å²	77	147.1 Å²	147.1	64%	0.636	75%	0.747	S	S	*	*	S	Bend	trans	-96.6	-19.6	-176.4	0	0	0	0	0	114.6
406	L	40.7	Very low	37.6	Very low	125 Å²	125	147.4 Å²	147.4	65%	0.654	74%	0.741	S	S	*	*	H	α-helix	trans	-80.7	-25.6	-175.4	-122.5	102.4	0	0	0	113.8	N408	L406-N408 PolarHBondContact O-N 3.34Å
407	N	39	Very low	38.2	Very low	117 Å²	117	143.9 Å²	143.9	63%	0.626	72%	0.724	S	S	*	*	H	α-helix	trans	-73	-23.8	-175.3	-98	-18.8	0	0	0	114.3
408	N	41.4	Very low	38.3	Very low	122 Å²	122	147.9 Å²	147.9	65%	0.652	72%	0.724	S	S	*	*	H	α-helix	trans	-86	-26.2	-179.2	-77.4	-17.2	0	0	0	113.4	L406	L406-N408 PolarHBondContact O-N 3.34Å
409	R	42.2	Very low	38.6	Very low	210 Å²	210	149.7 Å²	149.7	79%	0.792	72%	0.723	S	S	*	*	H	α-helix	trans	-76.2	-27.6	175.4	-83.4	-174.7	-179.2	-177.3	1.2	113.1	N412	R409-N412 PolarHBondContact O-N 2.88Å
410	Q	42.9	Very low	38.9	Very low	118 Å²	118	146.2 Å²	146.2	55%	0.551	72%	0.715	S	S	*	*	H	α-helix	trans	-73	-33.9	-178.2	-152.7	148.8	-15.7	0	0	112.8	N412 Y413 E414	Q410-N412 VanDerWaalsContact C-N 3.32Å; Q410-N412 PolarHBondContact O-N 3.24Å; Q410-Y413 PolarHBondContact O-N 3.06Å; Q410-E414 PolarHBondContact O-N 3.46Å
411	K	41.2	Very low	39	Very low	148 Å²	148	143.4 Å²	143.4	64%	0.643	71%	0.709	S	S	*	*	H	α-helix	trans	-67.6	-26	175.9	-82.1	-178.2	175.7	175.9	0	114.4
412	N	41.1	Very low	39.1	Very low	113 Å²	113	146.3 Å²	146.3	60%	0.604	71%	0.713	S	S	*	*	H	α-helix	trans	-83.6	-26.2	178.4	-93.7	-10.4	0	0	0	113.3	R409 Q410	R409-N412 PolarHBondContact O-N 2.88Å; Q410-N412 VanDerWaalsContact C-N 3.32Å; Q410-N412 PolarHBondContact O-N 3.24Å
413	Y	37	Very low	39.2	Very low	186 Å²	186	145.8 Å²	145.8	73%	0.729	71%	0.714	S	S	*	*	H	α-helix	trans	-73.1	-33.5	173.5	-104.5	-92.9	0	0	0	112.5	Q410 R415 H417	Q410-Y413 PolarHBondContact O-N 3.06Å; Y413-R415 VanDerWaalsContact C-N 3.34Å; Y413-R415 PolarHBondContact O-N 3.49Å; Y413-H417 PolarHBondContact O-N 3.02Å
414	E	38.3	Very low	39.4	Very low	134 Å²	134	146.3 Å²	146.3	63%	0.626	71%	0.712	S	S	*	*	H	α-helix	trans	-72.5	-21.7	178.8	-72.1	-177.4	159.6	0	0	114.1	Q410	Q410-E414 PolarHBondContact O-N 3.46Å
415	R	39.3	Very low	39.1	Very low	200 Å²	200	143.7 Å²	143.7	76%	0.755	70%	0.698	S	S	*	*	H	α-helix	trans	-82.1	-32.7	176	-79.9	-177.4	176.5	174.3	-2.1	113.5	Y413	Y413-R415 VanDerWaalsContact C-N 3.34Å; Y413-R415 PolarHBondContact O-N 3.49Å
416	K	39.8	Very low	38.8	Very low	179 Å²	179	146.1 Å²	146.1	78%	0.778	71%	0.705	S	S	*	*	H	α-helix	trans	-77.9	-23.7	177.2	-85.3	-175.6	174.3	-177.8	0	113.6
417	H	40.2	Very low	38.6	Very low	129 Å²	129	151.5 Å²	151.5	60%	0.597	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-6.9	-178.3	-127.6	-57.5	0	0	0	115	Y413	Y413-H417 PolarHBondContact O-N 3.02Å
418	K	36.6	Very low	38.5	Very low	179 Å²	179	148.6 Å²	148.6	78%	0.778	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-10.1	-177.1	-106.1	-179.6	177	-179.7	0	115.2
419	H	38.4	Very low	38.2	Very low	178 Å²	178	148.8 Å²	148.8	82%	0.824	70%	0.701	S	S	*	*	S	Bend	trans	-106.2	2.1	-175.3	-94.1	-82.3	0	0	0	115.9
420	T	39.2	Very low	38	Very low	119 Å²	119	145.2 Å²	145.2	73%	0.73	70%	0.696	S	S	*	*	S	Bend	trans	-121.2	16.1	-173.8	-31	0	0	0	0	113.8
421	L	34.4	Very low	37.6	Very low	135 Å²	135	143.2 Å²	143.2	71%	0.707	70%	0.695	S	S	*	*			trans	-118	65.4	-174.1	-99.5	136.5	0	0	0	111.2
422	H	35.1	Very low	37.2	Very low	196 Å²	196	142.5 Å²	142.5	91%	0.907	70%	0.696	S	S	*	*	S	Bend	trans	-138.4	6.6	173.6	-118.7	-64.1	0	0	0	117.7
423	S	37.2	Very low	37.1	Very low	109 Å²	109	139.9 Å²	139.9	76%	0.762	69%	0.686	S	S	*	*	S	Bend	trans	-132.7	12.2	-174.6	59.9	0	0	0	0	118.2
424	Q	39	Very low	36.9	Very low	169 Å²	169	138.5 Å²	138.5	79%	0.79	68%	0.684	S	S	*	*			trans	-134.4	18.2	-176.5	-71	-175.3	-6.8	0	0	116.9	T426	Q424-T426 PolarHBondContact O-N 3.49Å
425	S	34.1	Very low	36.5	Very low	74 Å²	74	140.1 Å²	140.1	52%	0.517	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.9	4.4	-161.3	105.3	0	0	0	0	119	K429	S425-K429 WeakPolarHBondContact O-CD 3.32Å; S425-K429 VanDerWaalsContact O-CE 3.26Å; S425-K429 WeakPolarHBondContact O-CE 3.41Å; S425-K429 PolarHBondContact O-NZ 3.35Å; S425-K429 VanDerWaalsContact O-NZ 3.07Å; S425-K429 PolarHBondContact OG-NZ 2.98Å
426	T	38.2	Very low	36.3	Very low	128 Å²	128	134 Å²	134	79%	0.785	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	-16.8	-172.7	39.7	0	0	0	0	115.7	Q424	Q424-T426 PolarHBondContact O-N 3.49Å
427	R	37.2	Very low	36.2	Very low	239 Å²	239	132 Å²	132	90%	0.902	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-15.1	-179.2	-141.1	171.1	-173.6	178.3	0.9	115
428	S	36.8	Very low	36.3	Very low	55 Å²	55	129.5 Å²	129.5	39%	0.385	66%	0.659	S	S	.	*	S	Bend	trans	-91.4	-13.3	-177.3	59.9	0	0	0	0	115.4	I430 S431 M432	S428-I430 PolarHBondContact O-N 3.5Å; S428-S431 PolarHBondContact O-OG 3.32Å; S428-M432 PolarHBondContact O-N 3.4Å
429	K	34.3	Very low	36.6	Very low	126 Å²	126	125.7 Å²	125.7	55%	0.548	64%	0.644	S	S	.	*	H	α-helix	trans	-74.8	-26	-174.8	-73.1	173.5	179.7	151.8	0	113.9	S425 S433	S425-K429 WeakPolarHBondContact O-CD 3.32Å; S425-K429 VanDerWaalsContact O-CE 3.26Å; S425-K429 WeakPolarHBondContact O-CE 3.41Å; S425-K429 PolarHBondContact O-NZ 3.35Å; S425-K429 VanDerWaalsContact O-NZ 3.07Å; S425-K429 PolarHBondContact OG-NZ 2.98Å; K429-S433 PolarHBondContact O-N 2.85Å
430	I	38.1	Very low	37.2	Very low	135 Å²	135	121.1 Å²	121.1	69%	0.692	63%	0.628	S	S	*	*	H	α-helix	trans	-77.1	-38.1	178.5	-61.5	174.1	0	0	0	110.9	S428 S433 K434	S428-I430 PolarHBondContact O-N 3.5Å; I430-S433 PolarHBondContact O-OG 2.9Å; I430-K434 PolarHBondContact O-N 2.8Å
431	S	35.1	Very low	37.7	Very low	76 Å²	76	122.3 Å²	122.3	53%	0.531	62%	0.623	S	S	.	*	H	α-helix	trans	-70.4	-38.4	177.5	62.5	0	0	0	0	112.3	S428 S433 K434 Y435	S428-S431 PolarHBondContact O-OG 3.32Å; S431-S433 PolarHBondContact O-N 3.08Å; S431-K434 PolarHBondContact O-N 3.45Å; S431-Y435 PolarHBondContact O-N 3.15Å
432	M	33	Very low	38.4	Very low	134 Å²	134	122 Å²	122	66%	0.66	62%	0.62	S	S	*	*	H	α-helix	trans	-64	-37.4	176.1	-89.3	-171.2	52.6	0	0	113.9	S428 K434 Y435 S436	S428-M432 PolarHBondContact O-N 3.4Å; M432-K434 VanDerWaalsContact C-N 3.3Å; M432-K434 PolarHBondContact O-N 2.99Å; M432-Y435 PolarHBondContact O-N 3.35Å; M432-S436 WeakPolarHBondContact O-CB 3.32Å; M432-S436 PolarHBondContact O-N 3.17Å
433	S	38.1	Very low	39.7	Very low	58 Å²	58	116.5 Å²	116.5	41%	0.406	60%	0.597	S	S	.	*	H	α-helix	trans	-68.6	-31.3	177.7	91	0	0	0	0	112.4	K429 I430 S431 K437	K429-S433 PolarHBondContact O-N 2.85Å; I430-S433 PolarHBondContact O-OG 2.9Å; S431-S433 PolarHBondContact O-N 3.08Å; S433-K437 WeakPolarHBondContact O-CB 3.15Å; S433-K437 VanDerWaalsContact O-CG 3.28Å; S433-K437 WeakPolarHBondContact O-CG 2.94Å; S433-K437 PolarHBondContact O-N 3.41Å
434	K	32.5	Very low	41.2	Very low	157 Å²	157	113.9 Å²	113.9	68%	0.683	58%	0.578	S	S	*	*	H	α-helix	trans	-73.5	-44.7	176.8	-134.4	176.3	-175.8	-179.7	0	110	I430 S431 M432 S436 K437 T438	I430-K434 PolarHBondContact O-N 2.8Å; S431-K434 PolarHBondContact O-N 3.45Å; M432-K434 VanDerWaalsContact C-N 3.3Å; M432-K434 PolarHBondContact O-N 2.99Å; K434-S436 PolarHBondContact O-N 3.38Å; K434-K437 PolarHBondContact O-N 3.45Å; K434-T438 PolarHBondContact O-N 2.02Å; K434-T438 PolarHBondContact O-OG1 3.09Å
435	Y	30.2	Very low	42.5	Very low	168 Å²	168	107.4 Å²	107.4	66%	0.659	55%	0.552	S	S	*	*	H	α-helix	trans	-59.8	-46	176.9	-171	-98.3	0	0	0	112.6	S431 M432 K437 T438 H439	S431-Y435 PolarHBondContact O-N 3.15Å; M432-Y435 PolarHBondContact O-N 3.35Å; Y435-K437 PolarHBondContact O-N 2.97Å; Y435-T438 PolarHBondContact O-N 3.13Å; Y435-H439 PolarHBondContact O-N 3.02Å
436	S	36	Very low	44.2	Very low	72 Å²	72	109.6 Å²	109.6	50%	0.503	55%	0.549	S	S	.	.	H	α-helix	trans	-64	-39.4	177.3	-178.3	0	0	0	0	113.2	M432 K434 T440	M432-S436 WeakPolarHBondContact O-CB 3.32Å; M432-S436 PolarHBondContact O-N 3.17Å; K434-S436 PolarHBondContact O-N 3.38Å; S436-T440 WeakPolarHBondContact O-CG2 3.07Å; S436-T440 PolarHBondContact O-N 2.86Å; S436-T440 VanDerWaalsContact O-N 3.13Å; S436-T440 PolarHBondContact O-OG1 3.2Å
437	K	37.6	Very low	45.7	Very low	135 Å²	135	107.9 Å²	107.9	59%	0.587	53%	0.531	S	S	*	.	H	α-helix	trans	-68.2	-33	175.1	-75.4	174.2	-177.4	172.8	0	112.6	S433 K434 Y435 T440 K441	S433-K437 WeakPolarHBondContact O-CB 3.15Å; S433-K437 VanDerWaalsContact O-CG 3.28Å; S433-K437 WeakPolarHBondContact O-CG 2.94Å; S433-K437 PolarHBondContact O-N 3.41Å; K434-K437 PolarHBondContact O-N 3.45Å; Y435-K437 PolarHBondContact O-N 2.97Å; K437-T440 WeakPolarHBondContact CA-OG1 3.18Å; K437-T440 PolarHBondContact O-OG1 2.91Å; K437-T440 VanDerWaalsContact O-OG1 3.12Å; K437-K441 WeakPolarHBondContact O-CB 3.47Å; K437-K441 VanDerWaalsContact O-CG 3.26Å; K437-K441 WeakPolarHBondContact O-CG 2.87Å; K437-K441 PolarHBondContact O-N 3.44Å
438	T	42.4	Very low	47.2	Very low	78 Å²	78	99.1 Å²	99.1	48%	0.479	50%	0.5	S	S	.	.	H	α-helix	trans	-73.5	-44.2	177.2	-52	0	0	0	0	111.2	K434 Y435 K441 M442	K434-T438 PolarHBondContact O-N 2.02Å; K434-T438 PolarHBondContact O-OG1 3.09Å; Y435-T438 PolarHBondContact O-N 3.13Å; T438-K441 PolarHBondContact O-N 3.32Å; T438-M442 PolarHBondContact O-N 3.01Å
439	H	41.5	Very low	48.9	Very low	99 Å²	99	101.9 Å²	101.9	46%	0.458	50%	0.502	S	S	.	.	H	α-helix	trans	-62.5	-45.8	178.9	-154.2	-74	0	0	0	111.9	Y435 K441 M442 D443	Y435-H439 PolarHBondContact O-N 3.02Å; H439-K441 VanDerWaalsContact C-N 3.31Å; H439-K441 PolarHBondContact O-N 3.18Å; H439-M442 PolarHBondContact O-N 3.36Å; H439-D443 IonicContact CE1-OD2 3.52Å; H439-D443 IonicContact ND1-OD2 3.29Å; H439-D443 PolarHBondContact ND1-OD2 3.33Å; H439-D443 PolarHBondContact O-N 3.44Å
440	T	51.9	Low	50.9	Low	81 Å²	81	99.8 Å²	99.8	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-62.8	-34.1	176	48.1	0	0	0	0	113.3	S436 K437 C444	S436-T440 WeakPolarHBondContact O-CG2 3.07Å; S436-T440 PolarHBondContact O-N 2.86Å; S436-T440 VanDerWaalsContact O-N 3.13Å; S436-T440 PolarHBondContact O-OG1 3.2Å; K437-T440 WeakPolarHBondContact CA-OG1 3.18Å; K437-T440 PolarHBondContact O-OG1 2.91Å; K437-T440 VanDerWaalsContact O-OG1 3.12Å; T440-C444 WeakPolarHBondContact O-CB 3.36Å; T440-C444 PolarHBondContact O-N 2.97Å; T440-C444 VanDerWaalsContact O-N 3.12Å
441	K	48.5	Very low	52.6	Low	144 Å²	144	94.3 Å²	94.3	63%	0.626	47%	0.468	S	S	*	.	H	α-helix	trans	-70.3	-39	173.5	-79.1	-179.9	179.6	-173.5	0	112.6	K437 T438 H439 S445	K437-K441 WeakPolarHBondContact O-CB 3.47Å; K437-K441 VanDerWaalsContact O-CG 3.26Å; K437-K441 WeakPolarHBondContact O-CG 2.87Å; K437-K441 PolarHBondContact O-N 3.44Å; T438-K441 PolarHBondContact O-N 3.32Å; H439-K441 VanDerWaalsContact C-N 3.31Å; H439-K441 PolarHBondContact O-N 3.18Å; K441-S445 WeakPolarHBondContact O-CB 3.35Å; K441-S445 PolarHBondContact O-N 3.06Å; K441-S445 PolarHBondContact O-OG 3.44Å
442	M	50	Low	54.6	Low	130 Å²	130	91.2 Å²	91.2	64%	0.64	45%	0.445	S	S	*	.	H	α-helix	trans	-65.3	-45.3	175.4	-79.2	-178.9	72.2	0	0	111.3	T438 H439 C444 S445 R446	T438-M442 PolarHBondContact O-N 3.01Å; H439-M442 PolarHBondContact O-N 3.36Å; M442-C444 PolarHBondContact O-N 3.03Å; M442-S445 PolarHBondContact O-N 3.31Å; M442-R446 WeakPolarHBondContact O-CB 3.18Å; M442-R446 PolarHBondContact O-N 3.29Å
443	D	62.6	Low	56.6	Low	79 Å²	79	87.2 Å²	87.2	42%	0.422	43%	0.43	S	S	.	.	H	α-helix	trans	-61.3	-43.8	177.3	-73	-34.9	0	0	0	112	H439 S445 R446 H447	H439-D443 IonicContact CE1-OD2 3.52Å; H439-D443 IonicContact ND1-OD2 3.29Å; H439-D443 PolarHBondContact ND1-OD2 3.33Å; H439-D443 PolarHBondContact O-N 3.44Å; D443-S445 PolarHBondContact O-N 2.99Å; D443-R446 PolarHBondContact O-N 2.97Å; D443-H447 WeakPolarHBondContact O-CB 3.36Å; D443-H447 PolarHBondContact O-N 3.36Å
444	C	68.3	Low	58.5	Low	54 Å²	54	89.7 Å²	89.7	37%	0.365	43%	0.43	S	S	.	.	H	α-helix	trans	-62.6	-41.2	176	-177.7	0	0	0	0	112.2	T440 M442 H447 K448	T440-C444 WeakPolarHBondContact O-CB 3.36Å; T440-C444 PolarHBondContact O-N 2.97Å; T440-C444 VanDerWaalsContact O-N 3.12Å; M442-C444 PolarHBondContact O-N 3.03Å; C444-H447 PolarHBondContact O-N 2.82Å; C444-K448 WeakPolarHBondContact O-CG 3.27Å; C444-K448 PolarHBondContact O-N 3.42Å
445	S	65.5	Low	60.8	Low	34 Å²	34	83.2 Å²	83.2	24%	0.238	40%	0.403	C	S	.	.	H	α-helix	trans	-68	-41.2	178.7	-56.8	0	0	0	0	111.8	K441 M442 D443 K448 R449	K441-S445 WeakPolarHBondContact O-CB 3.35Å; K441-S445 PolarHBondContact O-N 3.06Å; K441-S445 PolarHBondContact O-OG 3.44Å; M442-S445 PolarHBondContact O-N 3.31Å; D443-S445 PolarHBondContact O-N 2.99Å; S445-K448 PolarHBondContact O-N 3.42Å; S445-R449 WeakPolarHBondContact O-CB 3.43Å; S445-R449 PolarHBondContact O-N 3.03Å
446	R	70.2	Confident	63.2	Low	120 Å²	120	77.2 Å²	77.2	45%	0.453	38%	0.381	S	S	.	.	H	α-helix	trans	-63.3	-44.1	174.1	-169.1	-179.5	-173	171.9	7.5	111.4	M442 D443 K448 R449 L450	M442-R446 WeakPolarHBondContact O-CB 3.18Å; M442-R446 PolarHBondContact O-N 3.29Å; D443-R446 PolarHBondContact O-N 2.97Å; R446-K448 PolarHBondContact O-N 2.74Å; R446-R449 WeakPolarHBondContact O-CB 3.23Å; R446-R449 PolarHBondContact O-N 2.97Å; R446-L450 HydrophobicContact CG-CD1 4.47Å; R446-L450 WeakPolarHBondContact O-CG 3.32Å; R446-L450 PolarHBondContact O-N 3.07Å
447	H	70.5	Confident	65.4	Low	92 Å²	92	81.4 Å²	81.4	43%	0.426	39%	0.39	S	S	.	.	H	α-helix	trans	-60.6	-45.3	176.4	-173.7	68.1	0	0	0	112.1	D443 C444 R449 L450 I451	D443-H447 WeakPolarHBondContact O-CB 3.36Å; D443-H447 PolarHBondContact O-N 3.36Å; C444-H447 PolarHBondContact O-N 2.82Å; H447-R449 VanDerWaalsContact C-N 3.34Å; H447-R449 PolarHBondContact O-N 3.44Å; H447-L450 PolarHBondContact O-N 3.15Å; H447-I451 VanDerWaalsContact CD2-CD1 3.43Å; H447-I451 WeakPolarHBondContact CD2-CD1 3.4Å; H447-I451 VanDerWaalsContact NE2-CD1 3.26Å; H447-I451 WeakPolarHBondContact NE2-CD1 3.29Å; H447-I451 WeakPolarHBondContact O-CG1 3.47Å; H447-I451 PolarHBondContact O-N 2.71Å
448	K	68.5	Low	67.6	Low	55 Å²	55	76.1 Å²	76.1	24%	0.239	37%	0.37	C	S	.	.	H	α-helix	trans	-60.3	-41.6	174.2	-73.9	176.5	-174.9	175.8	0	112.2	M149 F238 C444 S445 R446 I451 F452	M149-K448 HydrophobicContact CG-CD 4.49Å; M149-K448 HydrophobicContact CG-CG 4.32Å; M149-K448 HydrophobicContact SD-CG 3.91Å; F238-K448 HydrophobicContact CE1-CD 3.87Å; F238-K448 HydrophobicContact CZ-CB 4.06Å; F238-K448 HydrophobicContact CZ-CD 3.57Å; F238-K448 HydrophobicContact CZ-CG 4.49Å; C444-K448 WeakPolarHBondContact O-CG 3.27Å; C444-K448 PolarHBondContact O-N 3.42Å; S445-K448 PolarHBondContact O-N 3.42Å; R446-K448 PolarHBondContact O-N 2.74Å; K448-I451 PolarHBondContact O-N 2.96Å; K448-F452 VanDerWaalsContact O-CB 3.29Å; K448-F452 WeakPolarHBondContact O-CB 3.35Å; K448-F452 PolarHBondContact O-N 3.02Å
449	R	73.1	Confident	69.7	Low	112 Å²	112	72.9 Å²	72.9	42%	0.423	35%	0.35	S	S	.	.	H	α-helix	trans	-62.2	-45.4	176.8	-172	-175.9	-64.3	-134.9	-3.7	111.5	L233 S445 R446 H447 F452 S453	L233-R449 HydrophobicContact CD1-CG 4.35Å; L233-R449 HydrophobicContact CD2-CB 4.37Å; L233-R449 HydrophobicContact CD2-CG 3.8Å; S445-R449 WeakPolarHBondContact O-CB 3.43Å; S445-R449 PolarHBondContact O-N 3.03Å; R446-R449 WeakPolarHBondContact O-CB 3.23Å; R446-R449 PolarHBondContact O-N 2.97Å; H447-R449 VanDerWaalsContact C-N 3.34Å; H447-R449 PolarHBondContact O-N 3.44Å; R449-F452 PolarHBondContact O-N 3.23Å; R449-S453 WeakPolarHBondContact O-CB 3.21Å; R449-S453 PolarHBondContact O-N 2.94Å; R449-S453 PolarHBondContact O-OG 3.21Å
450	L	74.7	Confident	72	Confident	82 Å²	82	74.7 Å²	74.7	43%	0.429	36%	0.357	S	S	.	.	H	α-helix	trans	-62	-47.6	177	-72.5	170.1	0	0	0	111.6	F366 R446 H447 F452 S453 R454	F366-L450 HydrophobicContact CE2-CD1 4.11Å; R446-L450 HydrophobicContact CG-CD1 4.47Å; R446-L450 WeakPolarHBondContact O-CG 3.32Å; R446-L450 PolarHBondContact O-N 3.07Å; H447-L450 PolarHBondContact O-N 3.15Å; L450-F452 PolarHBondContact O-N 3.44Å; L450-S453 PolarHBondContact O-N 2.92Å; L450-S453 PolarHBondContact O-OG 3.45Å; L450-R454 WeakPolarHBondContact O-CB 3.22Å; L450-R454 PolarHBondContact O-N 3.14Å
451	I	74.6	Confident	73.8	Confident	20 Å²	20	71.2 Å²	71.2	10%	0.103	34%	0.335	C	S	.	.	H	α-helix	trans	-57.8	-49.8	175.1	-70.2	160.7	0	0	0	110.4	P148 I152 H447 K448 S453 R454 E455	P148-I451 HydrophobicContact CB-CG2 4.11Å; I152-I451 HydrophobicContact CD1-CB 4.43Å; I152-I451 HydrophobicContact CD1-CD1 3.36Å; I152-I451 HydrophobicContact CD1-CG1 3.87Å; I152-I451 HydrophobicContact CD1-CG2 3.7Å; H447-I451 VanDerWaalsContact CD2-CD1 3.43Å; H447-I451 WeakPolarHBondContact CD2-CD1 3.4Å; H447-I451 VanDerWaalsContact NE2-CD1 3.26Å; H447-I451 WeakPolarHBondContact NE2-CD1 3.29Å; H447-I451 WeakPolarHBondContact O-CG1 3.47Å; H447-I451 PolarHBondContact O-N 2.71Å; K448-I451 PolarHBondContact O-N 2.96Å; I451-S453 PolarHBondContact O-N 3.44Å; I451-R454 PolarHBondContact O-N 3.29Å; I451-R454 VanDerWaalsContact O-N 3.16Å; I451-E455 HydrophobicContact CG2-CG 4.25Å; I451-E455 WeakPolarHBondContact O-CG 3.48Å; I451-E455 PolarHBondContact O-N 3.43Å
452	F	77	Confident	75.7	Confident	12 Å²	12	64.6 Å²	64.6	5%	0.053	31%	0.307	C	S	.	.	H	α-helix	trans	-58.6	-46.1	-179.6	179.3	-101.9	0	0	0	111.8	I145 I226 R229 L233 K448 R449 L450 R454 E455 Q456	I145-F452 HydrophobicContact CD1-CE2 4.37Å; I145-F452 HydrophobicContact CG2-CE2 4.37Å; I226-F452 HydrophobicContact CG1-CZ 4.31Å; R229-F452 HydrophobicContact CB-CE1 4.05Å; R229-F452 HydrophobicContact CB-CE2 4.13Å; R229-F452 HydrophobicContact CB-CZ 3.6Å; R229-F452 VanDerWaalsContact CD-CE2 3.49Å; R229-F452 HydrophobicContact CG-CE2 4.48Å; R229-F452 HydrophobicContact CG-CZ 4.41Å; L233-F452 HydrophobicContact CD1-CD1 3.88Å; L233-F452 HydrophobicContact CD1-CE1 4.04Å; K448-F452 VanDerWaalsContact O-CB 3.29Å; K448-F452 WeakPolarHBondContact O-CB 3.35Å; K448-F452 PolarHBondContact O-N 3.02Å; R449-F452 PolarHBondContact O-N 3.23Å; L450-F452 PolarHBondContact O-N 3.44Å; F452-R454 VanDerWaalsContact C-N 3.32Å; F452-R454 PolarHBondContact O-N 3.26Å; F452-E455 PolarHBondContact O-N 2.72Å; F452-Q456 WeakPolarHBondContact O-CB 3.49Å; F452-Q456 PolarHBondContact O-N 3.49Å
453	S	75.7	Confident	77.7	Confident	49 Å²	49	59.1 Å²	59.1	34%	0.343	28%	0.283	S	S	.	.	H	α-helix	trans	-62.4	-36.5	177.3	73.7	0	0	0	0	112.9	R449 L450 I451 K457	R449-S453 WeakPolarHBondContact O-CB 3.21Å; R449-S453 PolarHBondContact O-N 2.94Å; R449-S453 PolarHBondContact O-OG 3.21Å; L450-S453 PolarHBondContact O-N 2.92Å; L450-S453 PolarHBondContact O-OG 3.45Å; I451-S453 PolarHBondContact O-N 3.44Å; S453-K457 PolarHBondContact O-N 3.44Å
454	R	76.9	Confident	79.2	Confident	110 Å²	110	59.4 Å²	59.4	42%	0.415	28%	0.284	S	S	.	.	H	α-helix	trans	-68	-44.9	175.7	-179.3	175.7	174.3	160.3	-1.2	111.2	D362 L450 I451 F452 K457	D362-R454 IonicContact OD1-CZ 3.09Å; D362-R454 IonicContact OD1-NH1 3.41Å; D362-R454 IonicContact OD1-NH2 2.96Å; D362-R454 PolarHBondContact OD1-NH2 3.04Å; D362-R454 VanDerWaalsContact OD1-NH2 3.07Å; L450-R454 WeakPolarHBondContact O-CB 3.22Å; L450-R454 PolarHBondContact O-N 3.14Å; I451-R454 PolarHBondContact O-N 3.29Å; I451-R454 VanDerWaalsContact O-N 3.16Å; F452-R454 VanDerWaalsContact C-N 3.32Å; F452-R454 PolarHBondContact O-N 3.26Å; R454-K457 PolarHBondContact O-N 2.86Å
455	E	80.8	Confident	80.3	Confident	21 Å²	21	56.8 Å²	56.8	10%	0.098	27%	0.267	C	S	.	.	H	α-helix	trans	-68.1	-36.3	178.3	-65.7	-58.1	147.1	0	0	111.6	R141 I145 I451 F452 K457 S458 V459	R141-E455 IonicContact CZ-OE2 3.07Å; R141-E455 IonicContact NH1-OE2 3.28Å; R141-E455 PolarHBondContact NH1-OE2 2.95Å; R141-E455 IonicContact NH2-OE2 3.07Å; R141-E455 PolarHBondContact NH2-OE2 3.22Å; I145-E455 HydrophobicContact CD1-CB 3.98Å; I451-E455 HydrophobicContact CG2-CG 4.25Å; I451-E455 WeakPolarHBondContact O-CG 3.48Å; I451-E455 PolarHBondContact O-N 3.43Å; F452-E455 PolarHBondContact O-N 2.72Å; E455-K457 VanDerWaalsContact C-N 3.34Å; E455-K457 PolarHBondContact O-N 3.03Å; E455-S458 WeakPolarHBondContact O-CB 3.49Å; E455-S458 PolarHBondContact O-N 3.32Å; E455-S458 VanDerWaalsContact O-N 3.17Å; E455-V459 WeakPolarHBondContact O-CG2 3.43Å; E455-V459 PolarHBondContact O-N 3.35Å
456	Q	81	Confident	81.5	Confident	42 Å²	42	55.3 Å²	55.3	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-42.2	176.1	-173.9	-175.7	2.3	0	0	112.4	I226 F452 S458 V459 K460	I226-Q456 HydrophobicContact CD1-CG 4.39Å; I226-Q456 HydrophobicContact CG2-CG 4.15Å; F452-Q456 WeakPolarHBondContact O-CB 3.49Å; F452-Q456 PolarHBondContact O-N 3.49Å; Q456-S458 VanDerWaalsContact C-N 3.32Å; Q456-S458 PolarHBondContact O-N 3.1Å; Q456-V459 PolarHBondContact O-N 2.78Å; Q456-K460 WeakPolarHBondContact O-CG 3.49Å; Q456-K460 PolarHBondContact O-N 3.07Å
457	K	83.1	Confident	82.6	Confident	160 Å²	160	52.9 Å²	52.9	70%	0.696	26%	0.257	S	S	*	.	H	α-helix	trans	-60	-43.5	176.7	-70.2	-178.5	-178.1	-175.3	0	111.6	S453 R454 E455 V459 K460 T461	S453-K457 PolarHBondContact O-N 3.44Å; R454-K457 PolarHBondContact O-N 2.86Å; E455-K457 VanDerWaalsContact C-N 3.34Å; E455-K457 PolarHBondContact O-N 3.03Å; K457-V459 VanDerWaalsContact C-N 3.35Å; K457-K460 PolarHBondContact O-N 3.47Å; K457-T461 PolarHBondContact O-N 3.16Å
458	S	82.9	Confident	83.7	Confident	25 Å²	25	49.5 Å²	49.5	18%	0.175	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-39.9	176.5	174.8	0	0	0	0	111.9	R141 E455 Q456 K460 T461 V462	R141-S458 PolarHBondContact NH1-OG 2.88Å; E455-S458 WeakPolarHBondContact O-CB 3.49Å; E455-S458 PolarHBondContact O-N 3.32Å; E455-S458 VanDerWaalsContact O-N 3.17Å; Q456-S458 VanDerWaalsContact C-N 3.32Å; Q456-S458 PolarHBondContact O-N 3.1Å; S458-K460 VanDerWaalsContact C-N 3.31Å; S458-K460 PolarHBondContact O-N 2.91Å; S458-T461 PolarHBondContact O-N 3.15Å; S458-V462 WeakPolarHBondContact O-CG2 3.45Å; S458-V462 PolarHBondContact O-N 2.98Å; S458-V462 VanDerWaalsContact O-N 3.16Å
459	V	87.4	Confident	84.8	Confident	9 Å²	9	46.9 Å²	46.9	6%	0.055	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-37.2	177.5	168.3	0	0	0	0	112	R141 I145 I222 I226 E455 Q456 K457 V462 G463	R141-V459 HydrophobicContact CB-CG2 4.18Å; R141-V459 HydrophobicContact CG-CG2 4.41Å; I145-V459 HydrophobicContact CD1-CG2 3.8Å; I145-V459 HydrophobicContact CG1-CG2 3.65Å; I222-V459 HydrophobicContact CG2-CG1 3.49Å; I222-V459 VanDerWaalsContact CG2-CG1 3.49Å; I226-V459 HydrophobicContact CD1-CB 4.34Å; I226-V459 HydrophobicContact CD1-CG1 3.75Å; E455-V459 WeakPolarHBondContact O-CG2 3.43Å; E455-V459 PolarHBondContact O-N 3.35Å; Q456-V459 PolarHBondContact O-N 2.78Å; K457-V459 VanDerWaalsContact C-N 3.35Å; V459-V462 PolarHBondContact O-N 3.43Å; V459-G463 PolarHBondContact O-N 2.99Å
460	K	88	Confident	85.7	Confident	138 Å²	138	43.9 Å²	43.9	60%	0.6	22%	0.224	S	C	*	.	H	α-helix	trans	-58.8	-49.3	176.5	-71.1	-177	179.2	-170	0	111.7	Q456 K457 S458 V462 G463 L464	Q456-K460 WeakPolarHBondContact O-CG 3.49Å; Q456-K460 PolarHBondContact O-N 3.07Å; K457-K460 PolarHBondContact O-N 3.47Å; S458-K460 VanDerWaalsContact C-N 3.31Å; S458-K460 PolarHBondContact O-N 2.91Å; K460-V462 PolarHBondContact O-N 2.97Å; K460-G463 PolarHBondContact O-N 3.16Å; K460-L464 PolarHBondContact O-N 3.09Å; K460-L464 VanDerWaalsContact O-N 3.13Å
461	T	90	Very high	86.6	Confident	7 Å²	7	46 Å²	46	4%	0.043	24%	0.235	C	C	.	.	H	α-helix	trans	-59.6	-47.3	177.8	-49.6	0	0	0	0	111.6	K457 S458 G463 L464 V465 I512 Y513 C516 N517	K457-T461 PolarHBondContact O-N 3.16Å; S458-T461 PolarHBondContact O-N 3.15Å; T461-G463 VanDerWaalsContact C-N 3.34Å; T461-G463 PolarHBondContact O-N 2.95Å; T461-L464 WeakPolarHBondContact O-CB 3.44Å; T461-L464 PolarHBondContact O-N 2.97Å; T461-V465 PolarHBondContact O-N 3.44Å; T461-I512 HydrophobicContact CG2-CG2 3.99Å; T461-Y513 HydrophobicContact CG2-CD1 4.05Å; T461-Y513 HydrophobicContact CG2-CE1 4.35Å; T461-C516 HydrophobicContact CG2-CB 4.09Å; T461-C516 PolarHBondContact OG1-O 2.9Å; T461-C516 VanDerWaalsContact OG1-O 3.07Å; T461-N517 HydrophobicContact CG2-CB 4.21Å
462	V	89.4	Confident	87.5	Confident	6 Å²	6	45.7 Å²	45.7	4%	0.036	24%	0.235	C	C	.	.	H	α-helix	trans	-70.8	-32.3	-179.1	-171.4	0	0	0	0	111.7	I137 R141 Y219 S458 V459 K460 L464 V465 V466	I137-V462 HydrophobicContact CB-CG1 4.39Å; I137-V462 HydrophobicContact CG2-CB 4.39Å; I137-V462 HydrophobicContact CG2-CG1 3.35Å; I137-V462 HydrophobicContact CG2-CG2 4.14Å; R141-V462 HydrophobicContact CG-CB 4.46Å; R141-V462 HydrophobicContact CG-CG1 4.45Å; R141-V462 HydrophobicContact CG-CG2 4.46Å; Y219-V462 WeakPolarHBondContact OH-CG1 3.41Å; S458-V462 WeakPolarHBondContact O-CG2 3.45Å; S458-V462 PolarHBondContact O-N 2.98Å; S458-V462 VanDerWaalsContact O-N 3.16Å; V459-V462 PolarHBondContact O-N 3.43Å; K460-V462 PolarHBondContact O-N 2.97Å; V462-L464 VanDerWaalsContact C-N 3.27Å; V462-L464 PolarHBondContact O-N 2.89Å; V462-V465 WeakPolarHBondContact O-CB 3.28Å; V462-V465 PolarHBondContact O-N 3.3Å; V462-V465 VanDerWaalsContact O-N 3.14Å; V462-V466 WeakPolarHBondContact O-CG2 3.45Å; V462-V466 PolarHBondContact O-N 3.46Å
463	G	92	Very high	88.2	Confident	14 Å²	14	45.7 Å²	45.7	14%	0.144	23%	0.234	C	C	.	.	H	α-helix	trans	-58.2	-40.3	172	0	0	0	0	0	112.1	Y219 V459 K460 T461 V466 C467	Y219-G463 VanDerWaalsContact CE1-CA 3.44Å; V459-G463 PolarHBondContact O-N 2.99Å; K460-G463 PolarHBondContact O-N 3.16Å; T461-G463 VanDerWaalsContact C-N 3.34Å; T461-G463 PolarHBondContact O-N 2.95Å; G463-V466 PolarHBondContact O-N 3.01Å; G463-C467 PolarHBondContact O-N 2.78Å; G463-C467 PolarHBondContact O-SG 3.26Å
464	L	92.8	Very high	89	Confident	85 Å²	85	47.5 Å²	47.5	45%	0.445	24%	0.24	S	C	.	.	H	α-helix	trans	-64.8	-41.8	173.4	-68.7	173	0	0	0	112.4	K460 T461 V462 V466 C467 C468 I512 C516	K460-L464 PolarHBondContact O-N 3.09Å; K460-L464 VanDerWaalsContact O-N 3.13Å; T461-L464 WeakPolarHBondContact O-CB 3.44Å; T461-L464 PolarHBondContact O-N 2.97Å; V462-L464 VanDerWaalsContact C-N 3.27Å; V462-L464 PolarHBondContact O-N 2.89Å; L464-V466 VanDerWaalsContact C-N 3.27Å; L464-V466 PolarHBondContact O-N 3.34Å; L464-C467 PolarHBondContact O-N 2.9Å; L464-C468 WeakPolarHBondContact O-CB 3.47Å; L464-C468 PolarHBondContact O-N 3.33Å; L464-I512 HydrophobicContact CB-CG2 3.99Å; L464-C516 HydrophobicContact CD1-CB 4.18Å; L464-C516 WeakPolarHBondContact CD1-SG 3.39Å
465	V	92.2	Very high	89.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57	-44.1	173.7	172.5	0	0	0	0	110.6	L84 L134 T461 V462 C468 F469 N509 I512 Y513	L84-V465 HydrophobicContact CD2-CG1 4.41Å; L134-V465 HydrophobicContact CD2-CG1 3.63Å; T461-V465 PolarHBondContact O-N 3.44Å; V462-V465 WeakPolarHBondContact O-CB 3.28Å; V462-V465 PolarHBondContact O-N 3.3Å; V462-V465 VanDerWaalsContact O-N 3.14Å; V465-C468 PolarHBondContact O-N 3.47Å; V465-F469 PolarHBondContact O-N 3.12Å; V465-N509 WeakPolarHBondContact CG1-OD1 3.14Å; V465-I512 HydrophobicContact CG2-CB 4.26Å; V465-I512 HydrophobicContact CG2-CD1 4.08Å; V465-I512 HydrophobicContact CG2-CG2 3.76Å; V465-Y513 HydrophobicContact CG2-CE1 4.3Å
466	V	91.5	Very high	90.2	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-68.5	-41.9	178.1	166.2	0	0	0	0	113.1	V215 Y219 V462 G463 L464 C468 F469 I470	V215-V466 HydrophobicContact CG1-CB 4.21Å; V215-V466 HydrophobicContact CG1-CG1 3.27Å; V215-V466 HydrophobicContact CG1-CG2 3.92Å; Y219-V466 HydrophobicContact CD2-CB 4.09Å; Y219-V466 HydrophobicContact CD2-CG1 3.69Å; Y219-V466 HydrophobicContact CD2-CG2 3.93Å; Y219-V466 HydrophobicContact CE2-CB 3.84Å; Y219-V466 HydrophobicContact CE2-CG1 3.93Å; Y219-V466 HydrophobicContact CE2-CG2 3.23Å; Y219-V466 HydrophobicContact CG-CG1 4.21Å; V462-V466 WeakPolarHBondContact O-CG2 3.45Å; V462-V466 PolarHBondContact O-N 3.46Å; G463-V466 PolarHBondContact O-N 3.01Å; L464-V466 VanDerWaalsContact C-N 3.27Å; L464-V466 PolarHBondContact O-N 3.34Å; V466-C468 VanDerWaalsContact C-N 3.3Å; V466-C468 PolarHBondContact O-N 3.05Å; V466-F469 WeakPolarHBondContact O-CB 3.34Å; V466-F469 PolarHBondContact O-N 2.94Å; V466-I470 HydrophobicContact CG1-CD1 4.09Å; V466-I470 WeakPolarHBondContact O-CG1 3.47Å; V466-I470 PolarHBondContact O-N 3.37Å
467	C	92.5	Very high	90.6	Very high	69 Å²	69	43.1 Å²	43.1	47%	0.466	23%	0.229	S	C	.	.	H	α-helix	trans	-60.7	-43.2	174.6	-71.1	0	0	0	0	111	G463 L464 I470 L471	G463-C467 PolarHBondContact O-N 2.78Å; G463-C467 PolarHBondContact O-SG 3.26Å; L464-C467 PolarHBondContact O-N 2.9Å; C467-I470 PolarHBondContact O-N 3.41Å; C467-L471 VanDerWaalsContact O-CG 3.32Å; C467-L471 WeakPolarHBondContact O-CG 3.5Å; C467-L471 PolarHBondContact O-N 3.35Å
468	C	94.1	Very high	90.9	Very high	20 Å²	20	39 Å²	39	14%	0.135	22%	0.217	C	C	.	.	H	α-helix	trans	-59.8	-46.2	175.5	-170.9	0	0	0	0	111.5	L464 V465 V466 I470 L471 C472 C508 I512	L464-C468 WeakPolarHBondContact O-CB 3.47Å; L464-C468 PolarHBondContact O-N 3.33Å; V465-C468 PolarHBondContact O-N 3.47Å; V466-C468 VanDerWaalsContact C-N 3.3Å; V466-C468 PolarHBondContact O-N 3.05Å; C468-I470 PolarHBondContact O-N 3.46Å; C468-L471 PolarHBondContact O-N 2.88Å; C468-C472 VanDerWaalsContact O-CB 3.26Å; C468-C472 WeakPolarHBondContact O-CB 3.45Å; C468-C472 PolarHBondContact O-N 3.35Å; C468-C472 PolarHBondContact O-SG 3.3Å; C468-C472 VanDerWaalsContact SG-SG 3.67Å; C468-C508 WeakPolarHBondContact SG-CB 3.47Å; C468-I512 HydrophobicContact CB-CD1 4.01Å
469	F	92.1	Very high	91.2	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-54.1	-51.5	174.7	169.7	-97.5	0	0	0	111.8	I131 L134 F212 V465 V466 L471 C472 W473 N505	I131-F469 HydrophobicContact CB-CZ 4.49Å; I131-F469 HydrophobicContact CD1-CE2 4.34Å; I131-F469 HydrophobicContact CD1-CZ 4.19Å; I131-F469 HydrophobicContact CG1-CE2 3.58Å; I131-F469 HydrophobicContact CG1-CZ 3.65Å; I131-F469 HydrophobicContact CG2-CZ 4.36Å; L134-F469 HydrophobicContact CD1-CB 3.72Å; L134-F469 HydrophobicContact CD1-CD1 4.06Å; L134-F469 HydrophobicContact CD1-CD2 3.32Å; L134-F469 HydrophobicContact CD1-CE2 3.97Å; L134-F469 HydrophobicContact CD1-CG 3.39Å; F212-F469 HydrophobicContact CD1-CE1 4.34Å; F212-F469 HydrophobicContact CD2-CE1 4.03Å; F212-F469 HydrophobicContact CD2-CZ 4.18Å; F212-F469 HydrophobicContact CE1-CE1 4.35Å; F212-F469 HydrophobicContact CE2-CE1 4.05Å; F212-F469 AromaticContact CE2-CZ 3.96Å; F212-F469 HydrophobicContact CE2-CZ 3.96Å; F212-F469 HydrophobicContact CG-CE1 4.25Å; F212-F469 HydrophobicContact CZ-CE1 4.26Å; F212-F469 HydrophobicContact CZ-CZ 4.41Å; V465-F469 PolarHBondContact O-N 3.12Å; V466-F469 WeakPolarHBondContact O-CB 3.34Å; V466-F469 PolarHBondContact O-N 2.94Å; F469-L471 PolarHBondContact O-N 2.93Å; F469-C472 PolarHBondContact O-N 2.76Å; F469-W473 AromaticContact CD2-CD1 3.26Å; F469-W473 HydrophobicContact CD2-CG 4.03Å; F469-W473 AromaticContact CD2-NE1 3.55Å; F469-W473 HydrophobicContact CE2-CB 4.38Å; F469-W473 AromaticContact CE2-CD1 3.32Å; F469-W473 HydrophobicContact CE2-CD2 4.08Å; F469-W473 AromaticContact CE2-CE2 3.99Å; F469-W473 AromaticContact CE2-CG 3.68Å; F469-W473 HydrophobicContact CE2-CG 3.68Å; F469-W473 AromaticContact CE2-NE1 3.49Å; F469-W473 HydrophobicContact CZ-CG 4.23Å; F469-W473 VanDerWaalsContact O-CB 3.32Å; F469-W473 WeakPolarHBondContact O-CB 3.24Å; F469-W473 VanDerWaalsContact O-CD1 3.3Å; F469-W473 PolarHBondContact O-N 3.25Å; F469-N505 WeakPolarHBondContact CA-OD1 3.2Å; F469-N505 PolarHBondContact N-OD1 3.4Å
470	I	91.7	Very high	91.1	Very high	48 Å²	48	38.5 Å²	38.5	25%	0.246	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-48.3	-178.9	-66.8	169.6	0	0	0	110.7	F212 V466 C467 C468 L474	F212-I470 HydrophobicContact CD1-CB 4.31Å; F212-I470 HydrophobicContact CD1-CG1 3.99Å; F212-I470 HydrophobicContact CD1-CG2 4.12Å; F212-I470 HydrophobicContact CE1-CB 4.09Å; F212-I470 HydrophobicContact CE1-CG1 4.2Å; F212-I470 HydrophobicContact CE1-CG2 3.96Å; F212-I470 WeakPolarHBondContact CE1-O 3.41Å; V466-I470 HydrophobicContact CG1-CD1 4.09Å; V466-I470 WeakPolarHBondContact O-CG1 3.47Å; V466-I470 PolarHBondContact O-N 3.37Å; C467-I470 PolarHBondContact O-N 3.41Å; C468-I470 PolarHBondContact O-N 3.46Å; I470-L474 WeakPolarHBondContact O-CB 3.43Å; I470-L474 PolarHBondContact O-N 3.45Å
471	L	93	Very high	91.1	Very high	126 Å²	126	33.5 Å²	33.5	66%	0.66	19%	0.19	S	C	*	.	H	α-helix	trans	-66.3	-40.8	-176.8	-67.8	172.5	0	0	0	113	C467 C468 F469 P475	C467-L471 VanDerWaalsContact O-CG 3.32Å; C467-L471 WeakPolarHBondContact O-CG 3.5Å; C467-L471 PolarHBondContact O-N 3.35Å; C468-L471 PolarHBondContact O-N 2.88Å; F469-L471 PolarHBondContact O-N 2.93Å; L471-P475 WeakPolarHBondContact O-CD 3.4Å
472	C	93.7	Very high	91	Very high	15 Å²	15	35.5 Å²	35.5	10%	0.101	20%	0.203	C	C	.	.	H	α-helix	trans	-72	-36.8	-177.5	-70.6	0	0	0	0	112.4	C468 F469 S501 A502 N505	C468-C472 VanDerWaalsContact O-CB 3.26Å; C468-C472 WeakPolarHBondContact O-CB 3.45Å; C468-C472 PolarHBondContact O-N 3.35Å; C468-C472 PolarHBondContact O-SG 3.3Å; C468-C472 VanDerWaalsContact SG-SG 3.67Å; F469-C472 PolarHBondContact O-N 2.76Å; C472-S501 VanDerWaalsContact CB-O 3.28Å; C472-S501 WeakPolarHBondContact CB-O 3.19Å; C472-S501 CarbonylContact O-C 3.26Å; C472-S501 VanDerWaalsContact O-C 3.28Å; C472-S501 PolarHBondContact O-OG 2.88Å; C472-A502 PolarHBondContact O-N 2.95Å; C472-N505 HydrophobicContact CB-CB 3.85Å
473	W	91.8	Very high	90.7	Very high	12 Å²	12	35.6 Å²	35.6	5%	0.045	20%	0.202	C	C	.	.	H	α-helix	trans	-90.7	-20.5	-175.2	-79.6	86.9	0	0	0	114.2	C127 F208 F212 F469 F476 T477 A502	C127-W473 HydrophobicContact CB-CH2 3.61Å; C127-W473 HydrophobicContact CB-CZ2 4.16Å; C127-W473 VanDerWaalsContact SG-CH2 3.55Å; F208-W473 AromaticContact CD1-CE3 3.93Å; F208-W473 HydrophobicContact CD1-CE3 3.93Å; F208-W473 HydrophobicContact CD1-CZ3 4.03Å; F208-W473 AromaticContact CE1-CE3 3.67Å; F208-W473 HydrophobicContact CE1-CE3 3.67Å; F208-W473 HydrophobicContact CE1-CH2 4.18Å; F208-W473 AromaticContact CE1-CZ3 3.28Å; F208-W473 HydrophobicContact CE1-CZ3 3.28Å; F208-W473 HydrophobicContact CZ-CZ3 4.04Å; F212-W473 HydrophobicContact CE1-CB 4.28Å; F212-W473 HydrophobicContact CE2-CB 3.74Å; F212-W473 HydrophobicContact CZ-CB 3.24Å; F212-W473 HydrophobicContact CZ-CG 4.41Å; F469-W473 AromaticContact CD2-CD1 3.26Å; F469-W473 HydrophobicContact CD2-CG 4.03Å; F469-W473 AromaticContact CD2-NE1 3.55Å; F469-W473 HydrophobicContact CE2-CB 4.38Å; F469-W473 AromaticContact CE2-CD1 3.32Å; F469-W473 HydrophobicContact CE2-CD2 4.08Å; F469-W473 AromaticContact CE2-CE2 3.99Å; F469-W473 AromaticContact CE2-CG 3.68Å; F469-W473 HydrophobicContact CE2-CG 3.68Å; F469-W473 AromaticContact CE2-NE1 3.49Å; F469-W473 HydrophobicContact CZ-CG 4.23Å; F469-W473 VanDerWaalsContact O-CB 3.32Å; F469-W473 WeakPolarHBondContact O-CB 3.24Å; F469-W473 VanDerWaalsContact O-CD1 3.3Å; F469-W473 PolarHBondContact O-N 3.25Å; W473-F476 HydrophobicContact CE3-CD1 4.35Å; W473-F476 HydrophobicContact CZ3-CD1 4.18Å; W473-F476 PolarHBondContact O-N 3.19Å; W473-T477 WeakPolarHBondContact O-CB 3.49Å; W473-T477 PolarHBondContact O-N 3.3Å; W473-T477 PolarHBondContact O-OG1 3.4Å; W473-A502 HydrophobicContact CD2-CB 3.82Å; W473-A502 HydrophobicContact CE3-CB 3.82Å; W473-A502 HydrophobicContact CG-CB 4.36Å; W473-A502 HydrophobicContact CH2-CB 4.08Å; W473-A502 HydrophobicContact CZ2-CB 4.14Å; W473-A502 HydrophobicContact CZ3-CB 3.92Å
474	L	91.7	Very high	90.2	Very high	87 Å²	87	35.3 Å²	35.3	46%	0.455	20%	0.199	S	C	.	.	H	α-helix	trans	-57.7	-44.6	-177.2	-179.7	67	0	0	0	113	F212 I470 F476 T477 T478	F212-L474 HydrophobicContact CE1-CB 4.47Å; I470-L474 WeakPolarHBondContact O-CB 3.43Å; I470-L474 PolarHBondContact O-N 3.45Å; L474-F476 PolarHBondContact O-N 2.91Å; L474-T477 PolarHBondContact O-N 3.48Å; L474-T478 WeakPolarHBondContact O-CB 3.32Å; L474-T478 PolarHBondContact O-N 2.9Å; L474-T478 PolarHBondContact O-OG1 2.89Å
475	P	92.9	Very high	89.8	Confident	51 Å²	51	35.7 Å²	35.7	33%	0.331	21%	0.206	S	C	.	.	H	α-helix	trans	-58.8	-48.6	179.2	-25	35.3	0	0	0	112.8	L471 T478 M479 T498	L471-P475 WeakPolarHBondContact O-CD 3.4Å; P475-T478 PolarHBondContact O-N 3.14Å; P475-M479 WeakPolarHBondContact O-CB 3.24Å; P475-M479 PolarHBondContact O-N 2.74Å; P475-T498 HydrophobicContact CB-CG2 4.06Å
476	F	90.1	Very high	89.3	Confident	23 Å²	23	39.2 Å²	39.2	10%	0.101	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-45.5	177.4	-179	-101.8	0	0	0	111.9	F208 W473 L474 T478 M479 Y480 Y495 C499 A502	F208-F476 HydrophobicContact CE1-CE1 4.48Å; F208-F476 AromaticContact CE2-CE1 3.98Å; F208-F476 HydrophobicContact CE2-CE1 3.98Å; F208-F476 HydrophobicContact CZ-CD1 4.31Å; F208-F476 AromaticContact CZ-CE1 3.78Å; F208-F476 HydrophobicContact CZ-CE1 3.78Å; W473-F476 HydrophobicContact CE3-CD1 4.35Å; W473-F476 HydrophobicContact CZ3-CD1 4.18Å; W473-F476 PolarHBondContact O-N 3.19Å; L474-F476 PolarHBondContact O-N 2.91Å; F476-T478 VanDerWaalsContact C-N 3.28Å; F476-T478 PolarHBondContact O-N 3.38Å; F476-M479 HydrophobicContact CD2-CE 4Å; F476-M479 HydrophobicContact CE2-CE 4.09Å; F476-M479 PolarHBondContact O-N 3.31Å; F476-Y480 HydrophobicContact CZ-CD2 4.27Å; F476-Y480 VanDerWaalsContact O-CB 3.27Å; F476-Y480 WeakPolarHBondContact O-CB 3.48Å; F476-Y480 PolarHBondContact O-N 3.03Å; F476-Y495 HydrophobicContact CE2-CE2 4.25Å; F476-C499 WeakPolarHBondContact CE2-SG 3.38Å; F476-A502 HydrophobicContact CB-CB 4.41Å
477	T	89.2	Confident	88.4	Confident	7 Å²	7	47 Å²	47	4%	0.043	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-41.1	178.7	-56.7	0	0	0	0	111.2	F208 F212 W473 L474 L481	F208-T477 HydrophobicContact CB-CG2 3.58Å; F208-T477 HydrophobicContact CG-CG2 4.42Å; F212-T477 WeakPolarHBondContact CE2-OG1 3.26Å; W473-T477 WeakPolarHBondContact O-CB 3.49Å; W473-T477 PolarHBondContact O-N 3.3Å; W473-T477 PolarHBondContact O-OG1 3.4Å; L474-T477 PolarHBondContact O-N 3.48Å; T477-L481 HydrophobicContact CG2-CD1 4.05Å; T477-L481 WeakPolarHBondContact O-CB 3.47Å; T477-L481 VanDerWaalsContact O-CG 3.24Å; T477-L481 WeakPolarHBondContact O-CG 3.41Å; T477-L481 PolarHBondContact O-N 3.41Å
478	T	89.5	Confident	87.8	Confident	72 Å²	72	45.5 Å²	45.5	44%	0.442	26%	0.256	S	S	.	.	H	α-helix	trans	-67	-49.9	-179.6	-55.6	0	0	0	0	110.5	L474 P475 F476 Y480 L481 V482	L474-T478 WeakPolarHBondContact O-CB 3.32Å; L474-T478 PolarHBondContact O-N 2.9Å; L474-T478 PolarHBondContact O-OG1 2.89Å; P475-T478 PolarHBondContact O-N 3.14Å; F476-T478 VanDerWaalsContact C-N 3.28Å; F476-T478 PolarHBondContact O-N 3.38Å; T478-Y480 PolarHBondContact O-N 2.87Å; T478-L481 PolarHBondContact O-N 2.96Å; T478-V482 HydrophobicContact CG2-CG2 4.45Å; T478-V482 WeakPolarHBondContact O-CB 3.31Å; T478-V482 VanDerWaalsContact O-CG2 3.24Å; T478-V482 WeakPolarHBondContact O-CG2 3.47Å; T478-V482 PolarHBondContact O-N 3.33Å
479	M	89	Confident	87.1	Confident	9 Å²	9	51.4 Å²	51.4	4%	0.044	29%	0.285	C	S	.	.	H	α-helix	trans	-57.3	-49.7	177	-175.6	-163.9	72.3	0	0	111.3	P475 F476 L481 V482 E483 F490 I494 Y495 T498	P475-M479 WeakPolarHBondContact O-CB 3.24Å; P475-M479 PolarHBondContact O-N 2.74Å; F476-M479 HydrophobicContact CD2-CE 4Å; F476-M479 HydrophobicContact CE2-CE 4.09Å; F476-M479 PolarHBondContact O-N 3.31Å; M479-L481 VanDerWaalsContact C-N 3.32Å; M479-L481 PolarHBondContact O-N 2.9Å; M479-V482 PolarHBondContact O-N 3.37Å; M479-V482 VanDerWaalsContact O-N 3.12Å; M479-E483 WeakPolarHBondContact O-CG 3.29Å; M479-E483 PolarHBondContact O-N 2.65Å; M479-F490 HydrophobicContact CG-CB 4.3Å; M479-F490 HydrophobicContact CG-CD2 3.34Å; M479-F490 HydrophobicContact CG-CE2 3.7Å; M479-F490 HydrophobicContact CG-CG 3.84Å; M479-F490 HydrophobicContact CG-CZ 4.47Å; M479-F490 HydrophobicContact SD-CB 4.17Å; M479-F490 HydrophobicContact SD-CD2 4.28Å; M479-F490 HydrophobicContact SD-CG 4.32Å; M479-I494 HydrophobicContact SD-CG2 4.19Å; M479-Y495 HydrophobicContact CE-CD2 3.33Å; M479-Y495 HydrophobicContact CE-CE2 3.84Å; M479-Y495 HydrophobicContact CE-CG 4.15Å; M479-Y495 HydrophobicContact SD-CD2 4.28Å; M479-T498 HydrophobicContact CB-CG2 4.44Å; M479-T498 VanDerWaalsContact CE-OG1 3.28Å; M479-T498 WeakPolarHBondContact CE-OG1 3.45Å; M479-T498 HydrophobicContact SD-CG2 4.06Å; M479-T498 PolarHBondContact SD-OG1 2.88Å
480	Y	85.7	Confident	86.8	Confident	15 Å²	15	54.7 Å²	54.7	6%	0.059	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-38	-178.7	-169.6	-97.7	0	0	0	112.7	R200 T203 F476 T478 G484	R200-Y480 HydrophobicContact CB-CE1 4.46Å; R200-Y480 WeakPolarHBondContact O-CE1 3.23Å; T203-Y480 PolarHBondContact OG1-OH 3.47Å; F476-Y480 HydrophobicContact CZ-CD2 4.27Å; F476-Y480 VanDerWaalsContact O-CB 3.27Å; F476-Y480 WeakPolarHBondContact O-CB 3.48Å; F476-Y480 PolarHBondContact O-N 3.03Å; T478-Y480 PolarHBondContact O-N 2.87Å; Y480-G484 PolarHBondContact O-N 2.87Å
481	L	87.5	Confident	86.5	Confident	34 Å²	34	55.4 Å²	55.4	18%	0.178	31%	0.308	C	S	.	.	H	α-helix	trans	-69.2	-41.2	173.8	-71.4	173.7	0	0	0	111.9	I205 F209 T477 T478 M479 G484 T485	I205-L481 HydrophobicContact CG1-CD2 4.09Å; F209-L481 HydrophobicContact CD2-CD1 4.42Å; T477-L481 HydrophobicContact CG2-CD1 4.05Å; T477-L481 WeakPolarHBondContact O-CB 3.47Å; T477-L481 VanDerWaalsContact O-CG 3.24Å; T477-L481 WeakPolarHBondContact O-CG 3.41Å; T477-L481 PolarHBondContact O-N 3.41Å; T478-L481 PolarHBondContact O-N 2.96Å; M479-L481 VanDerWaalsContact C-N 3.32Å; M479-L481 PolarHBondContact O-N 2.9Å; L481-G484 PolarHBondContact O-N 3.36Å; L481-T485 WeakPolarHBondContact O-CG2 3.5Å; L481-T485 PolarHBondContact O-N 3.31Å; L481-T485 VanDerWaalsContact O-N 3.14Å; L481-T485 PolarHBondContact O-OG1 3.34Å
482	V	87.9	Confident	85.9	Confident	49 Å²	49	52.9 Å²	52.9	30%	0.297	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-46.7	178.4	171	0	0	0	0	110.7	T478 M479 G484 T485 C486 C488 F490	T478-V482 HydrophobicContact CG2-CG2 4.45Å; T478-V482 WeakPolarHBondContact O-CB 3.31Å; T478-V482 VanDerWaalsContact O-CG2 3.24Å; T478-V482 WeakPolarHBondContact O-CG2 3.47Å; T478-V482 PolarHBondContact O-N 3.33Å; M479-V482 PolarHBondContact O-N 3.37Å; M479-V482 VanDerWaalsContact O-N 3.12Å; V482-G484 PolarHBondContact O-N 2.95Å; V482-T485 WeakPolarHBondContact CA-OG1 3.11Å; V482-T485 PolarHBondContact O-N 3.04Å; V482-T485 PolarHBondContact O-OG1 2.96Å; V482-C486 WeakPolarHBondContact CG1-SG 3.24Å; V482-C486 PolarHBondContact O-N 2.04Å; V482-C486 PolarHBondContact O-SG 2.91Å; V482-C486 VanDerWaalsContact O-SG 3.36Å; V482-C488 PolarHBondContact O-SG 3.21Å; V482-C488 VanDerWaalsContact O-SG 3.41Å; V482-F490 HydrophobicContact CB-CE2 4.1Å; V482-F490 HydrophobicContact CB-CZ 4.38Å; V482-F490 HydrophobicContact CG1-CE2 3.77Å; V482-F490 HydrophobicContact CG1-CZ 3.81Å
483	E	84.3	Confident	85.5	Confident	7 Å²	7	56.8 Å²	56.8	3%	0.033	32%	0.318	C	S	.	.	H	α-helix	trans	-58.3	-34.4	175.1	-65.6	-164.7	153.8	0	0	112.8	R200 M479 T485 E487 C488 F490	R200-E483 IonicContact NH1-OE2 2.74Å; M479-E483 WeakPolarHBondContact O-CG 3.29Å; M479-E483 PolarHBondContact O-N 2.65Å; E483-T485 VanDerWaalsContact C-N 3.31Å; E483-E487 PolarHBondContact O-N 3.41Å; E483-C488 WeakPolarHBondContact CB-O 3.37Å; E483-C488 VanDerWaalsContact CG-O 3.32Å; E483-C488 WeakPolarHBondContact CG-O 3.47Å; E483-F490 HydrophobicContact CG-CD2 3.53Å; E483-F490 HydrophobicContact CG-CE2 3.91Å; E483-F490 PolarHBondContact OE1-N 3.01Å
484	G	81.5	Confident	85.3	Confident	8 Å²	8	59.9 Å²	59.9	8%	0.082	34%	0.335	C	S	.	.	H	α-helix	trans	-71.7	-20.7	174.2	0	0	0	0	0	114.3	Y480 L481 V482	Y480-G484 PolarHBondContact O-N 2.87Å; L481-G484 PolarHBondContact O-N 3.36Å; V482-G484 PolarHBondContact O-N 2.95Å
485	T	83.6	Confident	85.1	Confident	94 Å²	94	58 Å²	58	58%	0.577	32%	0.322	S	S	*	.	H	α-helix	trans	-99.3	-36.6	-177.9	58.1	0	0	0	0	114.4	F201 L481 V482 E483	F201-T485 HydrophobicContact CD2-CG2 3.94Å; F201-T485 HydrophobicContact CE2-CG2 3.88Å; L481-T485 WeakPolarHBondContact O-CG2 3.5Å; L481-T485 PolarHBondContact O-N 3.31Å; L481-T485 VanDerWaalsContact O-N 3.14Å; L481-T485 PolarHBondContact O-OG1 3.34Å; V482-T485 WeakPolarHBondContact CA-OG1 3.11Å; V482-T485 PolarHBondContact O-N 3.04Å; V482-T485 PolarHBondContact O-OG1 2.96Å; E483-T485 VanDerWaalsContact C-N 3.31Å
486	C	81.8	Confident	84.8	Confident	73 Å²	73	56.2 Å²	56.2	49%	0.493	31%	0.31	S	S	.	.	H	α-helix	trans	-105.5	2.9	-177.2	49.1	0	0	0	0	115.7	V482 C488	V482-C486 WeakPolarHBondContact CG1-SG 3.24Å; V482-C486 PolarHBondContact O-N 2.04Å; V482-C486 PolarHBondContact O-SG 2.91Å; V482-C486 VanDerWaalsContact O-SG 3.36Å; C486-C488 HydrophobicContact CB-CB 3.95Å; C486-C488 WeakPolarHBondContact CB-SG 3.23Å; C486-C488 PolarHBondContact O-N 2.84Å; C486-C488 WeakPolarHBondContact SG-CB 3.26Å; C486-C488 CovalentContact SG-SG 2.04Å; C486-C488 PolarHBondContact SG-SG 3.46Å
487	E	72.3	Confident	84.9	Confident	166 Å²	166	58.1 Å²	58.1	78%	0.776	33%	0.33	S	S	*	.			trans	48.6	19.8	-169.5	-63.1	-171	172.5	0	0	113.5	A197 E483	A197-E487 HydrophobicContact CB-CG 4.22Å; E483-E487 PolarHBondContact O-N 3.41Å
488	C	81.4	Confident	85	Confident	39 Å²	39	58.7 Å²	58.7	26%	0.264	33%	0.333	S	S	.	.			trans	-79.8	139.7	177.8	48.4	0	0	0	0	107.9	V482 E483 C486	V482-C488 PolarHBondContact O-SG 3.21Å; V482-C488 VanDerWaalsContact O-SG 3.41Å; E483-C488 WeakPolarHBondContact CB-O 3.37Å; E483-C488 VanDerWaalsContact CG-O 3.32Å; E483-C488 WeakPolarHBondContact CG-O 3.47Å; C486-C488 HydrophobicContact CB-CB 3.95Å; C486-C488 WeakPolarHBondContact CB-SG 3.23Å; C486-C488 PolarHBondContact O-N 2.84Å; C486-C488 WeakPolarHBondContact SG-CB 3.26Å; C486-C488 CovalentContact SG-SG 2.04Å; C486-C488 PolarHBondContact SG-SG 3.46Å
489	L	79.5	Confident	85.1	Confident	143 Å²	143	55.9 Å²	55.9	75%	0.749	32%	0.316	S	S	*	.			trans	-110.6	119.4	174.4	-172.4	68.5	0	0	0	108.4
490	F	84.1	Confident	85.3	Confident	70 Å²	70	56.6 Å²	56.6	31%	0.307	32%	0.319	S	S	.	.			trans	-71.3	151.7	172.9	-72.7	-86.1	0	0	0	110.2	M479 V482 E483 I494	M479-F490 HydrophobicContact CG-CB 4.3Å; M479-F490 HydrophobicContact CG-CD2 3.34Å; M479-F490 HydrophobicContact CG-CE2 3.7Å; M479-F490 HydrophobicContact CG-CG 3.84Å; M479-F490 HydrophobicContact CG-CZ 4.47Å; M479-F490 HydrophobicContact SD-CB 4.17Å; M479-F490 HydrophobicContact SD-CD2 4.28Å; M479-F490 HydrophobicContact SD-CG 4.32Å; V482-F490 HydrophobicContact CB-CE2 4.1Å; V482-F490 HydrophobicContact CB-CZ 4.38Å; V482-F490 HydrophobicContact CG1-CE2 3.77Å; V482-F490 HydrophobicContact CG1-CZ 3.81Å; E483-F490 HydrophobicContact CG-CD2 3.53Å; E483-F490 HydrophobicContact CG-CE2 3.91Å; E483-F490 PolarHBondContact OE1-N 3.01Å; F490-I494 HydrophobicContact CB-CB 4.32Å; F490-I494 HydrophobicContact CB-CG2 4.13Å; F490-I494 HydrophobicContact CD1-CD1 4.29Å; F490-I494 HydrophobicContact CD1-CG2 4.05Å; F490-I494 HydrophobicContact CG-CG2 4.31Å
491	S	86.1	Confident	85.6	Confident	63 Å²	63	57.6 Å²	57.6	44%	0.441	33%	0.328	S	S	.	.			trans	-62.5	147.8	177.5	64.5	0	0	0	0	111.1	P493 I494 Y495	S491-P493 VanDerWaalsContact C-N 3.28Å; S491-P493 VanDerWaalsContact O-N 3.15Å; S491-I494 PolarHBondContact O-N 3.49Å; S491-I494 WeakPolarHBondContact OG-CD1 3.25Å; S491-I494 WeakPolarHBondContact OG-CG1 3.45Å; S491-Y495 PolarHBondContact O-N 3.48Å
492	E	81	Confident	85.8	Confident	74 Å²	74	56.1 Å²	56.1	35%	0.346	32%	0.32	S	S	.	.	H	α-helix	trans	-48.2	-42	179.8	-169	93.3	-156.5	0	0	113.1	R102 Y192 I494 Y495 M496	R102-E492 IonicContact CZ-OE1 3.87Å; R102-E492 VanDerWaalsContact CZ-OE1 3.28Å; R102-E492 IonicContact NH1-OE1 3.03Å; R102-E492 PolarHBondContact NH1-OE1 2.99Å; R102-E492 IonicContact NH2-OE1 3.65Å; R102-E492 PolarHBondContact NH2-OE1 3.46Å; Y192-E492 VanDerWaalsContact CE1-OE1 3.26Å; Y192-E492 WeakPolarHBondContact CE1-OE1 3.4Å; Y192-E492 VanDerWaalsContact CE1-OE2 3.24Å; Y192-E492 WeakPolarHBondContact CE1-OE2 3.32Å; Y192-E492 VanDerWaalsContact CZ-OE2 3.29Å; Y192-E492 PolarHBondContact OH-OE1 3.49Å; Y192-E492 PolarHBondContact OH-OE2 2.94Å; E492-I494 PolarHBondContact O-N 3.3Å; E492-Y495 PolarHBondContact O-N 3.04Å; E492-M496 HydrophobicContact CG-CG 4.34Å; E492-M496 WeakPolarHBondContact O-CB 3.17Å; E492-M496 VanDerWaalsContact O-CG 3.23Å; E492-M496 WeakPolarHBondContact O-CG 3.47Å; E492-M496 PolarHBondContact O-N 2.86Å
493	P	84.9	Confident	86.1	Confident	96 Å²	96	54.4 Å²	54.4	62%	0.623	31%	0.309	S	S	*	.	H	α-helix	trans	-63.3	-37.5	177.6	-23.2	35.8	0	0	0	113.8	S491 A497	S491-P493 VanDerWaalsContact C-N 3.28Å; S491-P493 VanDerWaalsContact O-N 3.15Å; P493-A497 VanDerWaalsContact O-CB 3.25Å; P493-A497 WeakPolarHBondContact O-CB 3.26Å; P493-A497 PolarHBondContact O-N 3.26Å
494	I	88.5	Confident	86.5	Confident	77 Å²	77	56.4 Å²	56.4	40%	0.395	32%	0.321	S	S	.	.	H	α-helix	trans	-68.8	-43.9	177.2	-64.1	172.9	0	0	0	109.6	M479 F490 S491 E492 M496 A497 T498	M479-I494 HydrophobicContact SD-CG2 4.19Å; F490-I494 HydrophobicContact CB-CB 4.32Å; F490-I494 HydrophobicContact CB-CG2 4.13Å; F490-I494 HydrophobicContact CD1-CD1 4.29Å; F490-I494 HydrophobicContact CD1-CG2 4.05Å; F490-I494 HydrophobicContact CG-CG2 4.31Å; S491-I494 PolarHBondContact O-N 3.49Å; S491-I494 WeakPolarHBondContact OG-CD1 3.25Å; S491-I494 WeakPolarHBondContact OG-CG1 3.45Å; E492-I494 PolarHBondContact O-N 3.3Å; I494-M496 PolarHBondContact O-N 2.88Å; I494-A497 PolarHBondContact O-N 3.45Å; I494-T498 WeakPolarHBondContact O-CG2 3.4Å; I494-T498 PolarHBondContact O-N 3.42Å; I494-T498 PolarHBondContact O-OG1 3.33Å
495	Y	86.5	Confident	87.1	Confident	47 Å²	47	56 Å²	56	18%	0.184	32%	0.317	C	S	.	.	H	α-helix	trans	-57.7	-48.8	175.2	-177.7	-89.6	0	0	0	111.3	F476 M479 S491 E492 T498 C499	F476-Y495 HydrophobicContact CE2-CE2 4.25Å; M479-Y495 HydrophobicContact CE-CD2 3.33Å; M479-Y495 HydrophobicContact CE-CE2 3.84Å; M479-Y495 HydrophobicContact CE-CG 4.15Å; M479-Y495 HydrophobicContact SD-CD2 4.28Å; S491-Y495 PolarHBondContact O-N 3.48Å; E492-Y495 PolarHBondContact O-N 3.04Å; Y495-T498 PolarHBondContact O-N 3.49Å; Y495-T498 PolarHBondContact O-OG1 3.26Å; Y495-C499 WeakPolarHBondContact CE1-SG 3.41Å; Y495-C499 WeakPolarHBondContact O-CB 3.3Å; Y495-C499 PolarHBondContact O-N 2.94Å; Y495-C499 PolarHBondContact O-SG 3.32Å
496	M	87.5	Confident	87.6	Confident	15 Å²	15	51.9 Å²	51.9	7%	0.074	29%	0.292	C	S	.	.	H	α-helix	trans	-64.3	-43	178.4	-68.5	-63.6	-145.8	0	0	112.2	R102 Q103 E492 I494 T498 C499 W500	R102-M496 VanDerWaalsContact CZ-CE 3.49Å; R102-M496 PolarHBondContact NH2-SD 3.44Å; Q103-M496 HydrophobicContact CB-CE 4.07Å; Q103-M496 HydrophobicContact CG-CE 4.32Å; E492-M496 HydrophobicContact CG-CG 4.34Å; E492-M496 WeakPolarHBondContact O-CB 3.17Å; E492-M496 VanDerWaalsContact O-CG 3.23Å; E492-M496 WeakPolarHBondContact O-CG 3.47Å; E492-M496 PolarHBondContact O-N 2.86Å; I494-M496 PolarHBondContact O-N 2.88Å; M496-T498 PolarHBondContact O-N 3.23Å; M496-C499 PolarHBondContact O-N 3.01Å; M496-W500 WeakPolarHBondContact O-CB 3.43Å; M496-W500 VanDerWaalsContact O-CD1 3.29Å; M496-W500 PolarHBondContact O-N 2.67Å
497	A	90.5	Very high	88.2	Confident	63 Å²	63	50.2 Å²	50.2	52%	0.521	28%	0.278	S	S	.	.	H	α-helix	trans	-61.4	-43.6	179	0	0	0	0	0	111.8	P493 I494 S501	P493-A497 VanDerWaalsContact O-CB 3.25Å; P493-A497 WeakPolarHBondContact O-CB 3.26Å; P493-A497 PolarHBondContact O-N 3.26Å; I494-A497 PolarHBondContact O-N 3.45Å; A497-S501 WeakPolarHBondContact O-CB 3.48Å; A497-S501 PolarHBondContact O-N 3.35Å
498	T	92.1	Very high	89.3	Confident	18 Å²	18	43.8 Å²	43.8	11%	0.11	25%	0.25	C	S	.	.	H	α-helix	trans	-69.3	-37.4	177	60.2	0	0	0	0	112.2	P475 M479 I494 Y495 M496 S501 A502	P475-T498 HydrophobicContact CB-CG2 4.06Å; M479-T498 HydrophobicContact CB-CG2 4.44Å; M479-T498 VanDerWaalsContact CE-OG1 3.28Å; M479-T498 WeakPolarHBondContact CE-OG1 3.45Å; M479-T498 HydrophobicContact SD-CG2 4.06Å; M479-T498 PolarHBondContact SD-OG1 2.88Å; I494-T498 WeakPolarHBondContact O-CG2 3.4Å; I494-T498 PolarHBondContact O-N 3.42Å; I494-T498 PolarHBondContact O-OG1 3.33Å; Y495-T498 PolarHBondContact O-N 3.49Å; Y495-T498 PolarHBondContact O-OG1 3.26Å; M496-T498 PolarHBondContact O-N 3.23Å; T498-S501 WeakPolarHBondContact O-CB 3.34Å; T498-S501 PolarHBondContact O-N 3.5Å; T498-A502 PolarHBondContact O-N 2.87Å
499	C	91.4	Very high	89.8	Confident	13 Å²	13	42 Å²	42	9%	0.088	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-49	173.2	-71	0	0	0	0	112	F476 Y495 M496 S501 A502 Y503	F476-C499 WeakPolarHBondContact CE2-SG 3.38Å; Y495-C499 WeakPolarHBondContact CE1-SG 3.41Å; Y495-C499 WeakPolarHBondContact O-CB 3.3Å; Y495-C499 PolarHBondContact O-N 2.94Å; Y495-C499 PolarHBondContact O-SG 3.32Å; M496-C499 PolarHBondContact O-N 3.01Å; C499-S501 VanDerWaalsContact C-N 3.32Å; C499-S501 PolarHBondContact O-N 2.9Å; C499-A502 WeakPolarHBondContact O-CA 3.47Å; C499-A502 VanDerWaalsContact O-CB 3.31Å; C499-A502 WeakPolarHBondContact O-CB 3.48Å; C499-A502 PolarHBondContact O-N 2.85Å; C499-Y503 HydrophobicContact CB-CE2 4.36Å; C499-Y503 WeakPolarHBondContact O-CD2 3.37Å; C499-Y503 PolarHBondContact O-N 3.48Å; C499-Y503 VanDerWaalsContact O-N 3.09Å
500	W	92.5	Very high	90.6	Very high	25 Å²	25	35.7 Å²	35.7	10%	0.095	21%	0.206	C	C	.	.	H	α-helix	trans	-66.5	-33.8	179.1	-83.6	98.5	0	0	0	112.7	Q49 L96 I100 M496 A502 Y503 V504	Q49-W500 HydrophobicContact CB-CE3 4.46Å; Q49-W500 HydrophobicContact CB-CH2 3.39Å; Q49-W500 HydrophobicContact CB-CZ2 3.49Å; Q49-W500 VanDerWaalsContact CB-CZ2 3.49Å; Q49-W500 HydrophobicContact CB-CZ3 3.9Å; Q49-W500 VanDerWaalsContact CD-CZ2 3.41Å; Q49-W500 VanDerWaalsContact CD-NE1 3.35Å; Q49-W500 HydrophobicContact CG-CD2 3.71Å; Q49-W500 HydrophobicContact CG-CE3 3.94Å; Q49-W500 HydrophobicContact CG-CG 4.43Å; Q49-W500 HydrophobicContact CG-CH2 3.62Å; Q49-W500 HydrophobicContact CG-CZ2 3.35Å; Q49-W500 HydrophobicContact CG-CZ3 3.89Å; L96-W500 HydrophobicContact CD2-CH2 4.24Å; L96-W500 HydrophobicContact CD2-CZ3 4.47Å; I100-W500 HydrophobicContact CD1-CH2 4.09Å; I100-W500 HydrophobicContact CD1-CZ2 4.42Å; I100-W500 HydrophobicContact CG1-CH2 3.91Å; I100-W500 HydrophobicContact CG1-CZ2 3.74Å; M496-W500 WeakPolarHBondContact O-CB 3.43Å; M496-W500 VanDerWaalsContact O-CD1 3.29Å; M496-W500 PolarHBondContact O-N 2.67Å; W500-A502 PolarHBondContact O-N 3.04Å; W500-Y503 HydrophobicContact CD2-CD2 4.11Å; W500-Y503 HydrophobicContact CE3-CD2 4.21Å; W500-Y503 HydrophobicContact CG-CD2 4.42Å; W500-Y503 PolarHBondContact O-N 2.91Å; W500-Y503 VanDerWaalsContact O-N 3.15Å; W500-V504 WeakPolarHBondContact O-CG2 3.31Å; W500-V504 PolarHBondContact O-N 3.41Å
501	S	92.8	Very high	91.1	Very high	36 Å²	36	36.8 Å²	36.8	25%	0.252	21%	0.211	S	C	.	.	H	α-helix	trans	-55	-41.7	167.8	176.3	0	0	0	0	111.7	C472 A497 T498 C499 V504	C472-S501 VanDerWaalsContact CB-O 3.28Å; C472-S501 WeakPolarHBondContact CB-O 3.19Å; C472-S501 CarbonylContact O-C 3.26Å; C472-S501 VanDerWaalsContact O-C 3.28Å; C472-S501 PolarHBondContact O-OG 2.88Å; A497-S501 WeakPolarHBondContact O-CB 3.48Å; A497-S501 PolarHBondContact O-N 3.35Å; T498-S501 WeakPolarHBondContact O-CB 3.34Å; T498-S501 PolarHBondContact O-N 3.5Å; C499-S501 VanDerWaalsContact C-N 3.32Å; C499-S501 PolarHBondContact O-N 2.9Å; S501-V504 PolarHBondContact O-N 2.83Å
502	A	92.7	Very high	91.5	Very high	3 Å²	3	34.9 Å²	34.9	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-66.7	-40.8	176.1	0	0	0	0	0	112.1	C472 W473 F476 T498 C499 W500 V504 N505	C472-A502 PolarHBondContact O-N 2.95Å; W473-A502 HydrophobicContact CD2-CB 3.82Å; W473-A502 HydrophobicContact CE3-CB 3.82Å; W473-A502 HydrophobicContact CG-CB 4.36Å; W473-A502 HydrophobicContact CH2-CB 4.08Å; W473-A502 HydrophobicContact CZ2-CB 4.14Å; W473-A502 HydrophobicContact CZ3-CB 3.92Å; F476-A502 HydrophobicContact CB-CB 4.41Å; T498-A502 PolarHBondContact O-N 2.87Å; C499-A502 WeakPolarHBondContact O-CA 3.47Å; C499-A502 VanDerWaalsContact O-CB 3.31Å; C499-A502 WeakPolarHBondContact O-CB 3.48Å; C499-A502 PolarHBondContact O-N 2.85Å; W500-A502 PolarHBondContact O-N 3.04Å; A502-V504 VanDerWaalsContact C-N 3.32Å; A502-V504 PolarHBondContact O-N 3.41Å; A502-N505 WeakPolarHBondContact O-CB 3.49Å; A502-N505 PolarHBondContact O-N 3.49Å; A502-N505 VanDerWaalsContact O-N 3.17Å
503	Y	93.9	Very high	92.1	Very high	13 Å²	13	31.6 Å²	31.6	5%	0.051	18%	0.18	C	C	.	.	H	α-helix	trans	-67.3	-27.9	177.6	-61	-45.3	0	0	0	113.9	V91 L96 N123 C499 W500 N505 S506	V91-Y503 HydrophobicContact CG1-CD1 4.14Å; V91-Y503 HydrophobicContact CG1-CE1 4.25Å; L96-Y503 HydrophobicContact CD2-CD1 3.88Å; L96-Y503 HydrophobicContact CD2-CD2 3.5Å; L96-Y503 HydrophobicContact CD2-CE1 4.08Å; L96-Y503 HydrophobicContact CD2-CE2 3.71Å; L96-Y503 HydrophobicContact CD2-CG 3.61Å; N123-Y503 PolarHBondContact ND2-OH 3.13Å; N123-Y503 VanDerWaalsContact ND2-OH 3.1Å; N123-Y503 PolarHBondContact OD1-OH 2.88Å; C499-Y503 HydrophobicContact CB-CE2 4.36Å; C499-Y503 WeakPolarHBondContact O-CD2 3.37Å; C499-Y503 PolarHBondContact O-N 3.48Å; C499-Y503 VanDerWaalsContact O-N 3.09Å; W500-Y503 HydrophobicContact CD2-CD2 4.11Å; W500-Y503 HydrophobicContact CE3-CD2 4.21Å; W500-Y503 HydrophobicContact CG-CD2 4.42Å; W500-Y503 PolarHBondContact O-N 2.91Å; W500-Y503 VanDerWaalsContact O-N 3.15Å; Y503-N505 PolarHBondContact O-N 3.14Å; Y503-N505 VanDerWaalsContact O-N 3.13Å; Y503-S506 WeakPolarHBondContact O-CB 3.06Å; Y503-S506 PolarHBondContact O-N 2.88Å
504	V	92.3	Very high	92.5	Very high	48 Å²	48	28.4 Å²	28.4	29%	0.291	16%	0.161	S	C	.	.	H	α-helix	trans	-56.9	-27.1	172.5	166.7	0	0	0	0	111.9	W500 S501 A502 S506 M507 C508	W500-V504 WeakPolarHBondContact O-CG2 3.31Å; W500-V504 PolarHBondContact O-N 3.41Å; S501-V504 PolarHBondContact O-N 2.83Å; A502-V504 VanDerWaalsContact C-N 3.32Å; A502-V504 PolarHBondContact O-N 3.41Å; V504-S506 VanDerWaalsContact C-N 3.29Å; V504-S506 PolarHBondContact O-N 3.36Å; V504-M507 HydrophobicContact CG1-CE 4.19Å; V504-M507 WeakPolarHBondContact O-CB 3.42Å; V504-M507 PolarHBondContact O-N 2.83Å; V504-C508 PolarHBondContact O-N 2.95Å; V504-C508 PolarHBondContact O-SG 2.84Å; V504-C508 VanDerWaalsContact O-SG 3.38Å
505	N	93.4	Very high	92.8	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-53.5	-45.3	172.4	176.5	65.5	0	0	0	112.6	F469 C472 A502 Y503 M507 C508	F469-N505 WeakPolarHBondContact CA-OD1 3.2Å; F469-N505 PolarHBondContact N-OD1 3.4Å; C472-N505 HydrophobicContact CB-CB 3.85Å; A502-N505 WeakPolarHBondContact O-CB 3.49Å; A502-N505 PolarHBondContact O-N 3.49Å; A502-N505 VanDerWaalsContact O-N 3.17Å; Y503-N505 PolarHBondContact O-N 3.14Å; Y503-N505 VanDerWaalsContact O-N 3.13Å; N505-M507 PolarHBondContact O-N 3.46Å; N505-C508 PolarHBondContact O-N 2.72Å
506	S	94.1	Very high	93	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-69.1	-24.2	-179.3	-60.5	0	0	0	0	112.3	N60 D88 Y503 V504	N60-S506 PolarHBondContact ND2-O 3.05Å; D88-S506 WeakPolarHBondContact OD1-CB 3.39Å; D88-S506 PolarHBondContact OD1-OG 3.48Å; Y503-S506 WeakPolarHBondContact O-CB 3.06Å; Y503-S506 PolarHBondContact O-N 2.88Å; V504-S506 VanDerWaalsContact C-N 3.29Å; V504-S506 PolarHBondContact O-N 3.36Å
507	M	94.8	Very high	93.2	Very high	39 Å²	39	33.2 Å²	33.2	19%	0.192	19%	0.188	C	C	.	.	H	α-helix	trans	-77.9	-40	175.2	-171.3	-179.2	65.6	0	0	112	F55 I56 V504 N505 N509 P510 F511	F55-M507 HydrophobicContact CB-CG 4.14Å; F55-M507 HydrophobicContact CB-SD 4.26Å; I56-M507 HydrophobicContact CD1-CB 4.29Å; I56-M507 HydrophobicContact CG1-CB 3.66Å; I56-M507 HydrophobicContact CG1-CG 4.27Å; V504-M507 HydrophobicContact CG1-CE 4.19Å; V504-M507 WeakPolarHBondContact O-CB 3.42Å; V504-M507 PolarHBondContact O-N 2.83Å; N505-M507 PolarHBondContact O-N 3.46Å; M507-N509 VanDerWaalsContact C-N 3.3Å; M507-N509 PolarHBondContact O-N 3.35Å; M507-P510 WeakPolarHBondContact O-CD 3.33Å; M507-F511 HydrophobicContact CG-CE2 4.09Å; M507-F511 VanDerWaalsContact O-CD2 3.26Å; M507-F511 WeakPolarHBondContact O-CD2 3.25Å
508	C	95.2	Very high	93.2	Very high	30 Å²	30	36.1 Å²	36.1	20%	0.203	20%	0.195	C	C	.	.	H	α-helix	trans	-66.2	-28.9	-176.5	-72.4	0	0	0	0	113.8	C468 V504 N505 F511 I512	C468-C508 WeakPolarHBondContact SG-CB 3.47Å; V504-C508 PolarHBondContact O-N 2.95Å; V504-C508 PolarHBondContact O-SG 2.84Å; V504-C508 VanDerWaalsContact O-SG 3.38Å; N505-C508 PolarHBondContact O-N 2.72Å; C508-F511 PolarHBondContact O-N 2.84Å; C508-I512 HydrophobicContact CB-CD1 4.36Å; C508-I512 WeakPolarHBondContact O-CG1 3.14Å; C508-I512 PolarHBondContact O-N 3Å
509	N	92.9	Very high	93.2	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.011	21%	0.206	C	C	.	.	H	α-helix	trans	-53.9	-57.9	-174.7	-76.3	-19.3	0	0	0	113.2	D88 V465 M507 F511 I512 Y513	D88-N509 PolarHBondContact OD2-ND2 2.88Å; V465-N509 WeakPolarHBondContact CG1-OD1 3.14Å; M507-N509 VanDerWaalsContact C-N 3.3Å; M507-N509 PolarHBondContact O-N 3.35Å; N509-F511 VanDerWaalsContact C-N 3.31Å; N509-F511 PolarHBondContact O-N 2.92Å; N509-I512 PolarHBondContact O-N 2.94Å; N509-Y513 HydrophobicContact CB-CE2 4.24Å; N509-Y513 WeakPolarHBondContact O-CD2 3.39Å; N509-Y513 PolarHBondContact O-N 3.34Å; N509-Y513 VanDerWaalsContact O-N 3.12Å
510	P	95	Very high	93.3	Very high	11 Å²	11	38.5 Å²	38.5	7%	0.071	20%	0.202	C	C	.	.	H	α-helix	trans	-52	-42.4	174.3	-29	33.7	0	0	0	114.5	G59 V63 M507 Y513 A514	G59-P510 WeakPolarHBondContact O-CG 3.36Å; V63-P510 HydrophobicContact CG2-CB 4.2Å; V63-P510 HydrophobicContact CG2-CG 4.12Å; M507-P510 WeakPolarHBondContact O-CD 3.33Å; P510-Y513 PolarHBondContact O-N 3.33Å; P510-A514 WeakPolarHBondContact O-CB 3.35Å; P510-A514 PolarHBondContact O-N 3.42Å
511	F	95.1	Very high	93.4	Very high	93 Å²	93	38.2 Å²	38.2	41%	0.408	21%	0.205	S	C	.	.	H	α-helix	trans	-64.2	-44.6	179.1	-68.8	-71.4	0	0	0	111.8	M507 C508 N509 Y513 A514 F515	M507-F511 HydrophobicContact CG-CE2 4.09Å; M507-F511 VanDerWaalsContact O-CD2 3.26Å; M507-F511 WeakPolarHBondContact O-CD2 3.25Å; C508-F511 PolarHBondContact O-N 2.84Å; N509-F511 VanDerWaalsContact C-N 3.31Å; N509-F511 PolarHBondContact O-N 2.92Å; F511-Y513 VanDerWaalsContact C-N 3.27Å; F511-Y513 PolarHBondContact O-N 2.92Å; F511-A514 PolarHBondContact O-N 3Å; F511-A514 VanDerWaalsContact O-N 3.14Å; F511-F515 HydrophobicContact CB-CD2 4.33Å; F511-F515 HydrophobicContact CB-CE2 4.39Å; F511-F515 AromaticContact CD1-CE2 3.96Å; F511-F515 HydrophobicContact CD1-CE2 3.96Å; F511-F515 WeakPolarHBondContact O-CD2 3.38Å; F511-F515 PolarHBondContact O-N 3.11Å
512	I	95.3	Very high	93.4	Very high	23 Å²	23	43.7 Å²	43.7	12%	0.118	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-41	176.4	-65	166.6	0	0	0	110.4	T461 L464 V465 C468 C508 N509 C516	T461-I512 HydrophobicContact CG2-CG2 3.99Å; L464-I512 HydrophobicContact CB-CG2 3.99Å; V465-I512 HydrophobicContact CG2-CB 4.26Å; V465-I512 HydrophobicContact CG2-CD1 4.08Å; V465-I512 HydrophobicContact CG2-CG2 3.76Å; C468-I512 HydrophobicContact CB-CD1 4.01Å; C508-I512 HydrophobicContact CB-CD1 4.36Å; C508-I512 WeakPolarHBondContact O-CG1 3.14Å; C508-I512 PolarHBondContact O-N 3Å; N509-I512 PolarHBondContact O-N 2.94Å; I512-C516 HydrophobicContact CG2-CB 4.43Å; I512-C516 WeakPolarHBondContact O-CA 3.49Å; I512-C516 WeakPolarHBondContact O-CB 3.21Å; I512-C516 PolarHBondContact O-N 3.4Å
513	Y	93.5	Very high	93.5	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-68.4	-39.4	175.8	-61.7	-53.8	0	0	0	112.9	V63 I81 T461 V465 N509 P510 F511 N517	V63-Y513 HydrophobicContact CG1-CD2 4.42Å; V63-Y513 HydrophobicContact CG1-CE2 4.48Å; V63-Y513 HydrophobicContact CG2-CD2 3.87Å; V63-Y513 HydrophobicContact CG2-CE2 4.45Å; I81-Y513 HydrophobicContact CD1-CE1 3.91Å; I81-Y513 HydrophobicContact CG1-CE1 4.34Å; I81-Y513 HydrophobicContact CG2-CE1 4.1Å; I81-Y513 HydrophobicContact CG2-CE2 3.82Å; T461-Y513 HydrophobicContact CG2-CD1 4.05Å; T461-Y513 HydrophobicContact CG2-CE1 4.35Å; V465-Y513 HydrophobicContact CG2-CE1 4.3Å; N509-Y513 HydrophobicContact CB-CE2 4.24Å; N509-Y513 WeakPolarHBondContact O-CD2 3.39Å; N509-Y513 PolarHBondContact O-N 3.34Å; N509-Y513 VanDerWaalsContact O-N 3.12Å; P510-Y513 PolarHBondContact O-N 3.33Å; F511-Y513 VanDerWaalsContact C-N 3.27Å; F511-Y513 PolarHBondContact O-N 2.92Å; Y513-N517 WeakPolarHBondContact O-CB 3.49Å; Y513-N517 PolarHBondContact O-N 3.29Å
514	A	92.9	Very high	93.6	Very high	29 Å²	29	43.6 Å²	43.6	24%	0.24	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-42.7	179.1	0	0	0	0	0	112.4	P510 F511 A521 F524	P510-A514 WeakPolarHBondContact O-CB 3.35Å; P510-A514 PolarHBondContact O-N 3.42Å; F511-A514 PolarHBondContact O-N 3Å; F511-A514 VanDerWaalsContact O-N 3.14Å; A514-A521 WeakPolarHBondContact O-CB 3.42Å; A514-F524 HydrophobicContact CB-CD2 3.77Å; A514-F524 HydrophobicContact CB-CE2 3.9Å
515	F	93.6	Very high	93.7	Very high	161 Å²	161	47.5 Å²	47.5	71%	0.706	24%	0.237	S	C	*	.	H	α-helix	trans	-93.4	-33.6	-175	-66.4	-66.6	0	0	0	113.7	F511	F511-F515 HydrophobicContact CB-CD2 4.33Å; F511-F515 HydrophobicContact CB-CE2 4.39Å; F511-F515 AromaticContact CD1-CE2 3.96Å; F511-F515 HydrophobicContact CD1-CE2 3.96Å; F511-F515 WeakPolarHBondContact O-CD2 3.38Å; F511-F515 PolarHBondContact O-N 3.11Å
516	C	91.9	Very high	93.6	Very high	55 Å²	55	54.9 Å²	54.9	37%	0.372	27%	0.265	S	S	.	.	H	α-helix	trans	-102.7	-5.1	-172.6	-51.9	0	0	0	0	113.8	T461 L464 I512	T461-C516 HydrophobicContact CG2-CB 4.09Å; T461-C516 PolarHBondContact OG1-O 2.9Å; T461-C516 VanDerWaalsContact OG1-O 3.07Å; L464-C516 HydrophobicContact CD1-CB 4.18Å; L464-C516 WeakPolarHBondContact CD1-SG 3.39Å; I512-C516 HydrophobicContact CG2-CB 4.43Å; I512-C516 WeakPolarHBondContact O-CA 3.49Å; I512-C516 WeakPolarHBondContact O-CB 3.21Å; I512-C516 PolarHBondContact O-N 3.4Å
517	N	91	Very high	93.6	Very high	25 Å²	25	57.1 Å²	57.1	13%	0.134	28%	0.276	C	S	.	.			trans	-131.5	98.9	177.8	-170.5	-26.4	0	0	0	112.7	T461 Y513 K519 Y520 A521	T461-N517 HydrophobicContact CG2-CB 4.21Å; Y513-N517 WeakPolarHBondContact O-CB 3.49Å; Y513-N517 PolarHBondContact O-N 3.29Å; N517-K519 PolarHBondContact O-N 3.47Å; N517-K519 PolarHBondContact OD1-N 3.43Å; N517-K519 VanDerWaalsContact OD1-N 3.12Å; N517-Y520 HydrophobicContact CB-CD2 4.13Å; N517-Y520 VanDerWaalsContact ND2-CD2 3.27Å; N517-Y520 WeakPolarHBondContact ND2-CD2 3.31Å; N517-Y520 PolarHBondContact O-N 3.29Å; N517-A521 PolarHBondContact O-N 3.01Å
518	N	90.7	Very high	93.5	Very high	123 Å²	123	59.8 Å²	59.8	66%	0.658	29%	0.29	S	S	*	.	H	α-helix	trans	-53.1	-28.1	-178.2	-64.9	-6.6	0	0	0	114.5	K522	N518-K522 WeakPolarHBondContact O-CB 3.49Å; N518-K522 VanDerWaalsContact O-CG 3.28Å; N518-K522 WeakPolarHBondContact O-CG 3.38Å; N518-K522 PolarHBondContact O-N 2.92Å; N518-K522 VanDerWaalsContact O-N 3.1Å
519	K	91.9	Very high	93.1	Very high	82 Å²	82	65 Å²	65	36%	0.357	31%	0.311	S	S	.	.	H	α-helix	trans	-73.2	-41.2	177.1	-63.6	-167.9	177.3	-167.9	0	111.7	L73 N517 A523	L73-K519 HydrophobicContact CD2-CB 3.58Å; L73-K519 HydrophobicContact CD2-CD 4.35Å; L73-K519 HydrophobicContact CG-CB 4.45Å; N517-K519 PolarHBondContact O-N 3.47Å; N517-K519 PolarHBondContact OD1-N 3.43Å; N517-K519 VanDerWaalsContact OD1-N 3.12Å; K519-A523 WeakPolarHBondContact O-CB 3.38Å; K519-A523 PolarHBondContact O-N 2.89Å; K519-A523 VanDerWaalsContact O-N 3.13Å
520	Y	93.9	Very high	92.3	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-69.1	-45	173.7	-81.2	-96.9	0	0	0	110.5	V63 A66 V67 L73 D78 I81 N517 K522 A523 F524	V63-Y520 HydrophobicContact CG1-CE1 4.22Å; A66-Y520 HydrophobicContact CB-CD1 4.38Å; V67-Y520 HydrophobicContact CG2-CE1 3.83Å; V67-Y520 WeakPolarHBondContact CG2-OH 3.45Å; L73-Y520 HydrophobicContact CD1-CD1 4.15Å; L73-Y520 HydrophobicContact CD1-CD2 4.29Å; L73-Y520 HydrophobicContact CD1-CE1 4.26Å; L73-Y520 HydrophobicContact CD1-CE2 4.43Å; L73-Y520 HydrophobicContact CD1-CG 4.18Å; L73-Y520 HydrophobicContact CD2-CD2 3.68Å; L73-Y520 HydrophobicContact CD2-CE2 3.56Å; L73-Y520 HydrophobicContact CD2-CG 4.38Å; D78-Y520 WeakPolarHBondContact OD1-CE2 3.22Å; D78-Y520 PolarHBondContact OD1-OH 3.42Å; I81-Y520 HydrophobicContact CD1-CE2 4.4Å; N517-Y520 HydrophobicContact CB-CD2 4.13Å; N517-Y520 VanDerWaalsContact ND2-CD2 3.27Å; N517-Y520 WeakPolarHBondContact ND2-CD2 3.31Å; N517-Y520 PolarHBondContact O-N 3.29Å; Y520-K522 VanDerWaalsContact C-N 3.33Å; Y520-K522 PolarHBondContact O-N 3.47Å; Y520-A523 CarbonylContact O-C 3.28Å; Y520-A523 WeakPolarHBondContact O-CA 3.48Å; Y520-A523 WeakPolarHBondContact O-CB 3.22Å; Y520-A523 PolarHBondContact O-N 3.1Å; Y520-F524 HydrophobicContact CD1-CE1 4.1Å; Y520-F524 HydrophobicContact CD1-CZ 4.1Å; Y520-F524 WeakPolarHBondContact O-CG 3.41Å; Y520-F524 PolarHBondContact O-N 3.47Å
521	A	94	Very high	90.7	Very high	19 Å²	19	72.9 Å²	72.9	16%	0.157	37%	0.369	C	S	.	.	H	α-helix	trans	-51.3	-49.1	175	0	0	0	0	0	112.6	A514 N517 A523 F524 K525	A514-A521 WeakPolarHBondContact O-CB 3.42Å; N517-A521 PolarHBondContact O-N 3.01Å; A521-A523 VanDerWaalsContact C-N 3.33Å; A521-A523 PolarHBondContact O-N 3.49Å; A521-F524 PolarHBondContact O-N 3.31Å; A521-K525 WeakPolarHBondContact O-CG 3.37Å; A521-K525 PolarHBondContact O-N 3.23Å
522	K	93.8	Very high	89	Confident	150 Å²	150	78.6 Å²	78.6	65%	0.652	39%	0.388	S	S	*	.	H	α-helix	trans	-65.5	-33.8	176.1	-73.4	-178.5	-178.6	-166.7	0	112.7	N518 Y520 R526	N518-K522 WeakPolarHBondContact O-CB 3.49Å; N518-K522 VanDerWaalsContact O-CG 3.28Å; N518-K522 WeakPolarHBondContact O-CG 3.38Å; N518-K522 PolarHBondContact O-N 2.92Å; N518-K522 VanDerWaalsContact O-N 3.1Å; Y520-K522 VanDerWaalsContact C-N 3.33Å; Y520-K522 PolarHBondContact O-N 3.47Å; K522-R526 WeakPolarHBondContact O-CG 3.38Å; K522-R526 PolarHBondContact O-N 3.38Å; K522-R526 PolarHBondContact O-NE 3.09Å
523	A	94.6	Very high	86.7	Confident	1 Å²	1	84.4 Å²	84.4	1%	0.008	42%	0.419	C	S	.	.	H	α-helix	trans	-69.4	-43.8	175.5	0	0	0	0	0	111.5	A66 T70 L73 K519 Y520 A521 R526 L527	A66-A523 HydrophobicContact CB-CB 3.75Å; T70-A523 WeakPolarHBondContact OG1-CB 3.41Å; L73-A523 HydrophobicContact CD1-CB 3.71Å; K519-A523 WeakPolarHBondContact O-CB 3.38Å; K519-A523 PolarHBondContact O-N 2.89Å; K519-A523 VanDerWaalsContact O-N 3.13Å; Y520-A523 CarbonylContact O-C 3.28Å; Y520-A523 WeakPolarHBondContact O-CA 3.48Å; Y520-A523 WeakPolarHBondContact O-CB 3.22Å; Y520-A523 PolarHBondContact O-N 3.1Å; A521-A523 VanDerWaalsContact C-N 3.33Å; A521-A523 PolarHBondContact O-N 3.49Å; A523-R526 PolarHBondContact O-N 3.21Å; A523-L527 WeakPolarHBondContact O-CG 3.48Å; A523-L527 PolarHBondContact O-N 3.11Å
524	F	95.5	Very high	83.9	Confident	14 Å²	14	95.7 Å²	95.7	6%	0.061	48%	0.48	C	S	.	.	H	α-helix	trans	-62.2	-47	177.4	-67	-6.3	0	0	0	111.8	L62 V63 A66 A514 Y520 A521 R526 L527 L528	L62-F524 HydrophobicContact CB-CE1 4.5Å; L62-F524 HydrophobicContact CD1-CD1 4.21Å; L62-F524 HydrophobicContact CD2-CB 4.05Å; L62-F524 HydrophobicContact CD2-CD1 3.79Å; L62-F524 HydrophobicContact CD2-CD2 3.97Å; L62-F524 HydrophobicContact CD2-CE1 4.16Å; L62-F524 HydrophobicContact CD2-CE2 4.33Å; L62-F524 HydrophobicContact CD2-CG 3.68Å; L62-F524 HydrophobicContact CD2-CZ 4.41Å; L62-F524 HydrophobicContact CG-CD1 3.57Å; L62-F524 HydrophobicContact CG-CE1 3.75Å; L62-F524 HydrophobicContact CG-CG 4.02Å; L62-F524 HydrophobicContact CG-CZ 4.35Å; V63-F524 HydrophobicContact CG2-CZ 3.83Å; A66-F524 HydrophobicContact CB-CD1 3.78Å; A66-F524 HydrophobicContact CB-CE1 3.55Å; A514-F524 HydrophobicContact CB-CD2 3.77Å; A514-F524 HydrophobicContact CB-CE2 3.9Å; Y520-F524 HydrophobicContact CD1-CE1 4.1Å; Y520-F524 HydrophobicContact CD1-CZ 4.1Å; Y520-F524 WeakPolarHBondContact O-CG 3.41Å; Y520-F524 PolarHBondContact O-N 3.47Å; A521-F524 PolarHBondContact O-N 3.31Å; F524-R526 VanDerWaalsContact C-N 3.28Å; F524-R526 PolarHBondContact O-N 3.19Å; F524-L527 PolarHBondContact O-N 3.46Å; F524-L527 VanDerWaalsContact O-N 3.13Å; F524-L528 WeakPolarHBondContact O-CB 3.44Å; F524-L528 WeakPolarHBondContact O-CG 3.5Å; F524-L528 PolarHBondContact O-N 3.16Å
525	K	93.9	Very high	83.4	Confident	130 Å²	130	99.1 Å²	99.1	57%	0.565	49%	0.492	S	S	*	.	H	α-helix	trans	-55.3	-42.9	175	-72.9	-176.2	180	-167.9	0	112.4	A521 H529 I530	A521-K525 WeakPolarHBondContact O-CG 3.37Å; A521-K525 PolarHBondContact O-N 3.23Å; K525-H529 PolarHBondContact O-N 3.42Å; K525-I530 PolarHBondContact O-N 3.25Å
526	R	92.8	Very high	82.9	Confident	155 Å²	155	95.8 Å²	95.8	59%	0.585	48%	0.481	S	S	*	.	H	α-helix	trans	-67.2	-39	177.3	-72.9	-175	-58.9	171.7	8.2	113.2	T70 K522 A523 F524	T70-R526 PolarHBondContact OG1-NH2 3.07Å; K522-R526 WeakPolarHBondContact O-CG 3.38Å; K522-R526 PolarHBondContact O-N 3.38Å; K522-R526 PolarHBondContact O-NE 3.09Å; A523-R526 PolarHBondContact O-N 3.21Å; F524-R526 VanDerWaalsContact C-N 3.28Å; F524-R526 PolarHBondContact O-N 3.19Å
527	L	93	Very high	82.4	Confident	53 Å²	53	98.1 Å²	98.1	28%	0.277	49%	0.487	S	S	.	.	H	α-helix	trans	-72.9	-37.8	-179.7	-74.5	174.6	0	0	0	112.8	L62 A66 T69 A523 F524 H529	L62-L527 HydrophobicContact CD1-CB 3.88Å; L62-L527 HydrophobicContact CD1-CD1 3.83Å; A66-L527 HydrophobicContact CB-CD1 4.06Å; T69-L527 HydrophobicContact CG2-CD2 3.98Å; A523-L527 WeakPolarHBondContact O-CG 3.48Å; A523-L527 PolarHBondContact O-N 3.11Å; F524-L527 PolarHBondContact O-N 3.46Å; F524-L527 VanDerWaalsContact O-N 3.13Å; L527-H529 PolarHBondContact O-N 2.73Å
528	L	92.5	Very high	81.9	Confident	95 Å²	95	102.4 Å²	102.4	50%	0.497	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	4.7	178.7	-62.8	174.6	0	0	0	112.9	L62 F524 I530	L62-L528 HydrophobicContact CD1-CD2 4.25Å; L62-L528 HydrophobicContact CD1-CG 4.27Å; L62-L528 HydrophobicContact CD2-CD1 4.01Å; L62-L528 HydrophobicContact CD2-CG 4.35Å; F524-L528 WeakPolarHBondContact O-CB 3.44Å; F524-L528 WeakPolarHBondContact O-CG 3.5Å; F524-L528 PolarHBondContact O-N 3.16Å; L528-I530 HydrophobicContact CB-CD1 3.69Å; L528-I530 HydrophobicContact CB-CG1 3.78Å; L528-I530 HydrophobicContact CD1-CD1 3.89Å; L528-I530 HydrophobicContact CG-CD1 4.46Å; L528-I530 PolarHBondContact O-N 3.34Å
529	H	87.1	Confident	81.3	Confident	140 Å²	140	101.1 Å²	101.1	65%	0.648	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	19.8	-173.4	-60.2	108.6	0	0	0	114.9	K525 L527 G531	K525-H529 PolarHBondContact O-N 3.42Å; L527-H529 PolarHBondContact O-N 2.73Å; H529-G531 PolarHBondContact O-N 3.45Å
530	I	76.4	Confident	80.6	Confident	106 Å²	106	102.3 Å²	102.3	54%	0.544	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	110.9	179.7	-61.2	171.3	0	0	0	108.4	K525 L528	K525-I530 PolarHBondContact O-N 3.25Å; L528-I530 HydrophobicContact CB-CD1 3.69Å; L528-I530 HydrophobicContact CB-CG1 3.78Å; L528-I530 HydrophobicContact CD1-CD1 3.89Å; L528-I530 HydrophobicContact CG-CD1 4.46Å; L528-I530 PolarHBondContact O-N 3.34Å
531	G	62.1	Low	79.7	Confident	72 Å²	72	109.6 Å²	109.6	74%	0.742	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.7	27.5	176.1	0	0	0	0	0	115.6	H529	H529-G531 PolarHBondContact O-N 3.45Å
532	R	58.1	Low	78.6	Confident	213 Å²	213	116.6 Å²	116.6	80%	0.804	57%	0.573	S	S	*	*			trans	-86.3	11.4	168.9	-154.6	172	122.3	124.7	-2	113.7
533	N	47	Very low	77.3	Confident	146 Å²	146	113.8 Å²	113.8	78%	0.781	57%	0.567	S	S	*	*			trans	-102.8	89	167	-69.4	-4.1	0	0	0	107.8
534	N	34.5	Very low	75.7	Confident	241 Å²	241	124.1 Å²	124.1	100%	1.289	62%	0.618	S	S	*	*			trans	162.8	0	151.8	-80.4	-5.9	0	0	0	110.1

Retrieved 534 of 534 residues in 592.5 ms (Link to these results)

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