A0A3Q0KTQ1_SCHMA Loading...

Putative synoviolin

AlphaFold DB , UniProt , Accession A0A3Q0KTQ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 726 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	38	Very low	190 Å²	190	92.5 Å²	92.5	94%	0.936	50%	0.497	S	S	*	.				0	-58.4	0	-71.5	-53.4	-162.9	0	0	112.7	L3 L4 Y5	M1-L3 PolarHBondContact O-N 3.27Å; M1-L4 CarbonylContact O-C 3.56Å; M1-L4 WeakPolarHBondContact O-CB 3.25Å; M1-L4 PolarHBondContact O-N 3.07Å; M1-Y5 WeakPolarHBondContact O-CB 3.44Å; M1-Y5 PolarHBondContact O-N 2.86Å
2	S	35.1	Very low	37.2	Very low	60 Å²	60	96.4 Å²	96.4	42%	0.42	51%	0.506	S	S	.	.	H	α-helix	trans	-58.5	-45.2	176.1	55.6	0	0	0	0	112.9	L4 Y5 T6	S2-L4 VanDerWaalsContact C-N 3.34Å; S2-L4 PolarHBondContact O-N 3.38Å; S2-Y5 WeakPolarHBondContact O-CB 3.5Å; S2-Y5 PolarHBondContact O-N 3.18Å; S2-Y5 VanDerWaalsContact O-N 3.11Å; S2-T6 PolarHBondContact O-N 3.12Å; S2-T6 PolarHBondContact O-OG1 3.18Å
3	L	40.4	Very low	37	Very low	97 Å²	97	96 Å²	96	51%	0.508	51%	0.513	S	S	.	.	H	α-helix	trans	-67.3	-35	177.7	-151	143	0	0	0	112.2	M1 T6 I7	M1-L3 PolarHBondContact O-N 3.27Å; L3-T6 VanDerWaalsContact CA-OG1 3.29Å; L3-T6 WeakPolarHBondContact CA-OG1 3.43Å; L3-T6 PolarHBondContact O-OG1 3.13Å; L3-I7 HydrophobicContact CD2-CD1 3.62Å; L3-I7 HydrophobicContact CD2-CG1 4.44Å; L3-I7 WeakPolarHBondContact O-CD1 3.36Å; L3-I7 WeakPolarHBondContact O-CG1 3.48Å; L3-I7 PolarHBondContact O-N 2.89Å; L3-I7 VanDerWaalsContact O-N 3.1Å
4	L	39.3	Very low	36.6	Very low	111 Å²	111	95.6 Å²	95.6	58%	0.581	52%	0.521	S	S	*	.	H	α-helix	trans	-63.8	-41.6	169.8	-96.1	144.5	0	0	0	110.9	M1 S2 I7 T8	M1-L4 CarbonylContact O-C 3.56Å; M1-L4 WeakPolarHBondContact O-CB 3.25Å; M1-L4 PolarHBondContact O-N 3.07Å; S2-L4 VanDerWaalsContact C-N 3.34Å; S2-L4 PolarHBondContact O-N 3.38Å; L4-I7 PolarHBondContact O-N 2.94Å; L4-T8 VanDerWaalsContact O-CG2 3.27Å; L4-T8 WeakPolarHBondContact O-CG2 3.1Å; L4-T8 PolarHBondContact O-N 3.28Å; L4-T8 PolarHBondContact O-OG1 3.44Å; L4-T8 VanDerWaalsContact O-OG1 3.07Å
5	Y	41	Very low	36	Very low	129 Å²	129	92.9 Å²	92.9	51%	0.506	52%	0.517	S	S	.	.	H	α-helix	trans	-67.3	-41.8	178.6	-159.1	-96.9	0	0	0	112.2	M1 S2 I7 T8 L9	M1-Y5 WeakPolarHBondContact O-CB 3.44Å; M1-Y5 PolarHBondContact O-N 2.86Å; S2-Y5 WeakPolarHBondContact O-CB 3.5Å; S2-Y5 PolarHBondContact O-N 3.18Å; S2-Y5 VanDerWaalsContact O-N 3.11Å; Y5-I7 VanDerWaalsContact C-N 3.32Å; Y5-I7 PolarHBondContact O-N 2.95Å; Y5-T8 VanDerWaalsContact CA-OG1 3.28Å; Y5-T8 WeakPolarHBondContact CA-OG1 3.27Å; Y5-T8 PolarHBondContact O-N 3.11Å; Y5-T8 PolarHBondContact O-OG1 3.26Å; Y5-L9 HydrophobicContact CE1-CD1 3.91Å; Y5-L9 PolarHBondContact O-N 2.82Å
6	T	41.9	Very low	35.7	Very low	44 Å²	44	96.1 Å²	96.1	27%	0.27	52%	0.524	S	S	.	.	H	α-helix	trans	-65.7	-32.6	175.7	50.1	0	0	0	0	112.8	S2 L3 P10	S2-T6 PolarHBondContact O-N 3.12Å; S2-T6 PolarHBondContact O-OG1 3.18Å; L3-T6 VanDerWaalsContact CA-OG1 3.29Å; L3-T6 WeakPolarHBondContact CA-OG1 3.43Å; L3-T6 PolarHBondContact O-OG1 3.13Å; T6-P10 VanDerWaalsContact O-CD 3.24Å; T6-P10 WeakPolarHBondContact O-CD 3.37Å
7	I	42.6	Very low	35.6	Very low	107 Å²	107	95.2 Å²	95.2	55%	0.549	53%	0.526	S	S	.	.	H	α-helix	trans	-75	-36.4	174	-67.4	169.1	0	0	0	111	L3 L4 Y5 P10	L3-I7 HydrophobicContact CD2-CD1 3.62Å; L3-I7 HydrophobicContact CD2-CG1 4.44Å; L3-I7 WeakPolarHBondContact O-CD1 3.36Å; L3-I7 WeakPolarHBondContact O-CG1 3.48Å; L3-I7 PolarHBondContact O-N 2.89Å; L3-I7 VanDerWaalsContact O-N 3.1Å; L4-I7 PolarHBondContact O-N 2.94Å; Y5-I7 VanDerWaalsContact C-N 3.32Å; Y5-I7 PolarHBondContact O-N 2.95Å; I7-P10 WeakPolarHBondContact O-CD 3.48Å; I7-P10 WeakPolarHBondContact O-CG 3.39Å
8	T	33.5	Very low	35.2	Very low	56 Å²	56	94.1 Å²	94.1	34%	0.344	53%	0.526	S	S	.	.	H	α-helix	trans	-75.8	-23	179.9	53.4	0	0	0	0	113.9	L4 Y5 T11	L4-T8 VanDerWaalsContact O-CG2 3.27Å; L4-T8 WeakPolarHBondContact O-CG2 3.1Å; L4-T8 PolarHBondContact O-N 3.28Å; L4-T8 PolarHBondContact O-OG1 3.44Å; L4-T8 VanDerWaalsContact O-OG1 3.07Å; Y5-T8 VanDerWaalsContact CA-OG1 3.28Å; Y5-T8 WeakPolarHBondContact CA-OG1 3.27Å; Y5-T8 PolarHBondContact O-N 3.11Å; Y5-T8 PolarHBondContact O-OG1 3.26Å; T8-T11 WeakPolarHBondContact O-CB 3.26Å; T8-T11 PolarHBondContact O-N 3.2Å; T8-T11 VanDerWaalsContact O-N 3.08Å; T8-T11 PolarHBondContact O-OG1 3.34Å
9	L	36.4	Very low	34.8	Very low	59 Å²	59	97.3 Å²	97.3	31%	0.309	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-64	-43.6	-176.4	-150.1	78.9	0	0	0	114.6	Y5 T11 F12	Y5-L9 HydrophobicContact CE1-CD1 3.91Å; Y5-L9 PolarHBondContact O-N 2.82Å; L9-T11 PolarHBondContact O-N 3.02Å; L9-T11 VanDerWaalsContact O-N 3.09Å; L9-F12 PolarHBondContact O-N 2.99Å
10	P	38.3	Very low	34.5	Very low	95 Å²	95	97.2 Å²	97.2	62%	0.617	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-67.1	-5.8	173.9	24.5	-32.8	0	0	0	113.9	T6 I7 P13	T6-P10 VanDerWaalsContact O-CD 3.24Å; T6-P10 WeakPolarHBondContact O-CD 3.37Å; I7-P10 WeakPolarHBondContact O-CD 3.48Å; I7-P10 WeakPolarHBondContact O-CG 3.39Å; P10-P13 WeakPolarHBondContact O-CD 3.49Å
11	T	34.6	Very low	34.3	Very low	69 Å²	69	97.3 Å²	97.3	42%	0.423	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-88.9	-8.5	179	69.8	0	0	0	0	114.7	T8 L9	T8-T11 WeakPolarHBondContact O-CB 3.26Å; T8-T11 PolarHBondContact O-N 3.2Å; T8-T11 VanDerWaalsContact O-N 3.08Å; T8-T11 PolarHBondContact O-OG1 3.34Å; L9-T11 PolarHBondContact O-N 3.02Å; L9-T11 VanDerWaalsContact O-N 3.09Å
12	F	28.1	Very low	33.9	Very low	140 Å²	140	97.7 Å²	97.7	61%	0.614	54%	0.537	S	S	*	.			trans	-97.4	10.4	179.9	-86.2	-81.1	0	0	0	118.7	L9 S14	L9-F12 PolarHBondContact O-N 2.99Å; F12-S14 VanDerWaalsContact C-N 3.25Å; F12-S14 PolarHBondContact O-N 3.22Å
13	P	34.8	Very low	33.5	Very low	91 Å²	91	102.9 Å²	102.9	59%	0.591	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-16.8	179	27.8	-29.9	0	0	0	113.5	P10 A15 F16	P10-P13 WeakPolarHBondContact O-CD 3.49Å; P13-A15 VanDerWaalsContact C-N 3.34Å; P13-A15 PolarHBondContact O-N 2.73Å; P13-F16 PolarHBondContact O-N 2.81Å
14	S	30.7	Very low	32.9	Very low	90 Å²	90	103.8 Å²	103.8	63%	0.629	57%	0.567	S	S	*	*	H	α-helix	trans	-69	-28.9	179.9	56.6	0	0	0	0	113.6	F12 S17	F12-S14 VanDerWaalsContact C-N 3.25Å; F12-S14 PolarHBondContact O-N 3.22Å; S14-S17 PolarHBondContact O-OG 3.01Å
15	A	27.3	Very low	32.4	Very low	55 Å²	55	102.1 Å²	102.1	46%	0.455	56%	0.564	S	S	.	*	H	α-helix	trans	-78.2	-16	179.6	0	0	0	0	0	114.1	P13 S18	P13-A15 VanDerWaalsContact C-N 3.34Å; P13-A15 PolarHBondContact O-N 2.73Å; A15-S18 PolarHBondContact O-OG 2.87Å
16	F	32.5	Very low	31.7	Very low	144 Å²	144	100.8 Å²	100.8	63%	0.632	57%	0.574	S	S	*	*	H	α-helix	trans	-91.5	-29.3	-179.9	-96.9	-83.4	0	0	0	113.6	P13 S18 F19 S20	P13-F16 PolarHBondContact O-N 2.81Å; F16-S18 VanDerWaalsContact C-N 3.26Å; F16-S18 PolarHBondContact O-N 3.16Å; F16-F19 PolarHBondContact O-N 3.45Å; F16-S20 PolarHBondContact O-N 3.38Å
17	S	33.5	Very low	31.2	Very low	81 Å²	81	104.5 Å²	104.5	57%	0.566	60%	0.602	S	S	*	*	H	α-helix	trans	-62.3	-32.9	177.4	66.5	0	0	0	0	112.8	S14	S14-S17 PolarHBondContact O-OG 3.01Å
18	S	28.4	Very low	30.5	Very low	75 Å²	75	103 Å²	103	52%	0.524	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.8	-16.3	177.6	58.3	0	0	0	0	114.4	A15 F16 T21	A15-S18 PolarHBondContact O-OG 2.87Å; F16-S18 VanDerWaalsContact C-N 3.26Å; F16-S18 PolarHBondContact O-N 3.16Å; S18-T21 PolarHBondContact O-OG1 2.77Å
19	F	28	Very low	30.6	Very low	156 Å²	156	106.2 Å²	106.2	68%	0.684	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-25.5	177.5	-144.8	-95.3	0	0	0	112.2	F16 T21	F16-F19 PolarHBondContact O-N 3.45Å; F19-T21 VanDerWaalsContact C-N 3.32Å; F19-T21 PolarHBondContact O-N 2.88Å
20	S	28.9	Very low	30.5	Very low	95 Å²	95	107.7 Å²	107.7	66%	0.664	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-22.2	178.8	170.1	0	0	0	0	114	F16	F16-S20 PolarHBondContact O-N 3.38Å
21	T	30.4	Very low	30.2	Very low	100 Å²	100	107.3 Å²	107.3	61%	0.613	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-16.4	-178	50.1	0	0	0	0	113.5	S18 F19	S18-T21 PolarHBondContact O-OG1 2.77Å; F19-T21 VanDerWaalsContact C-N 3.32Å; F19-T21 PolarHBondContact O-N 2.88Å
22	Y	26.9	Very low	30.4	Very low	198 Å²	198	107.5 Å²	107.5	78%	0.776	64%	0.636	S	S	*	*	S	Bend	trans	-94.3	-3	-174	-93.5	-77.5	0	0	0	116
23	F	25.9	Very low	30.9	Very low	169 Å²	169	104.2 Å²	104.2	74%	0.741	62%	0.624	S	S	*	*			trans	-127.4	65.1	173.2	-88.9	-82	0	0	0	111.9	S25	F23-S25 PolarHBondContact O-N 2.84Å; F23-S25 VanDerWaalsContact O-N 3.08Å
24	S	28.3	Very low	31.1	Very low	116 Å²	116	102.8 Å²	102.8	81%	0.811	62%	0.616	S	S	*	*			trans	-76.2	72.4	162.8	59.5	0	0	0	0	110.5
25	S	28	Very low	31.6	Very low	76 Å²	76	103 Å²	103	53%	0.531	61%	0.61	S	S	.	*	S	Bend	trans	-163.6	107.5	161.7	58.3	0	0	0	0	111.4	F23	F23-S25 PolarHBondContact O-N 2.84Å; F23-S25 VanDerWaalsContact O-N 3.08Å
26	S	27.6	Very low	32.5	Very low	100 Å²	100	104.3 Å²	104.3	70%	0.699	61%	0.609	S	S	*	*	S	Bend	trans	47	110.9	149.3	56.2	0	0	0	0	118.9
27	S	30.3	Very low	33.2	Very low	123 Å²	123	101.5 Å²	101.5	86%	0.86	60%	0.6	S	S	*	*	S	Bend	trans	74.4	32.2	145.7	68.4	0	0	0	0	120.8
28	S	28.9	Very low	33.6	Very low	75 Å²	75	105.8 Å²	105.8	52%	0.524	60%	0.603	S	S	.	*			trans	-136.2	21.9	174.7	61.9	0	0	0	0	116.4	T31	S28-T31 PolarHBondContact O-OG1 3.04Å
29	T	35.7	Very low	34.6	Very low	124 Å²	124	110.8 Å²	110.8	76%	0.761	61%	0.611	S	S	*	*	H	α-helix	trans	-76.8	-17.9	176.2	49.3	0	0	0	0	114.2
30	S	33.7	Very low	35.7	Very low	90 Å²	90	105.8 Å²	105.8	63%	0.629	59%	0.589	S	S	*	*	H	α-helix	trans	-81.8	-20.6	-178.1	60	0	0	0	0	114.5	S34	S30-S34 PolarHBondContact O-N 3.03Å
31	T	32	Very low	36.5	Very low	86 Å²	86	104.3 Å²	104.3	53%	0.528	58%	0.578	S	S	.	*	H	α-helix	trans	-82.4	-37.1	-175.2	53.8	0	0	0	0	112.7	S28 S34 L35	S28-T31 PolarHBondContact O-OG1 3.04Å; T31-S34 PolarHBondContact O-N 3.41Å; T31-L35 PolarHBondContact O-N 3.05Å; T31-L35 VanDerWaalsContact O-N 3.11Å
32	S	37.6	Very low	37.5	Very low	73 Å²	73	103.9 Å²	103.9	51%	0.51	57%	0.571	S	S	.	*	H	α-helix	trans	-67.8	-39.3	178.7	59.7	0	0	0	0	112.4	L35 L36	S32-L35 WeakPolarHBondContact O-CB 3.29Å; S32-L35 PolarHBondContact O-N 3.21Å; S32-L36 PolarHBondContact O-N 2.96Å
33	L	40.2	Very low	38.7	Very low	71 Å²	71	97.5 Å²	97.5	37%	0.372	55%	0.55	S	S	.	*	H	α-helix	trans	-67.5	-39.1	177	-162.8	77	0	0	0	112.1	L35 L36 I37 Y192	L33-L35 VanDerWaalsContact C-N 3.31Å; L33-L35 PolarHBondContact O-N 3.48Å; L33-L36 PolarHBondContact O-N 2.87Å; L33-I37 HydrophobicContact CG-CD1 4.3Å; L33-I37 WeakPolarHBondContact O-CG1 3.37Å; L33-I37 PolarHBondContact O-N 2.68Å; L33-Y192 HydrophobicContact CD1-CE1 4Å; L33-Y192 HydrophobicContact CD2-CE1 4.12Å
34	S	39.1	Very low	40	Very low	61 Å²	61	90.6 Å²	90.6	43%	0.427	53%	0.526	S	S	.	.	H	α-helix	trans	-62.6	-38.5	173.3	-178.5	0	0	0	0	111.9	S30 T31 R38	S30-S34 PolarHBondContact O-N 3.03Å; T31-S34 PolarHBondContact O-N 3.41Å; S34-R38 WeakPolarHBondContact O-CB 3.27Å; S34-R38 WeakPolarHBondContact O-CG 3.08Å; S34-R38 PolarHBondContact O-N 2.7Å
35	L	40.8	Very low	41	Very low	96 Å²	96	88.8 Å²	88.8	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-65.1	-43.3	173.9	-100.7	144.5	0	0	0	112	T31 S32 L33 R38 W39	T31-L35 PolarHBondContact O-N 3.05Å; T31-L35 VanDerWaalsContact O-N 3.11Å; S32-L35 WeakPolarHBondContact O-CB 3.29Å; S32-L35 PolarHBondContact O-N 3.21Å; L33-L35 VanDerWaalsContact C-N 3.31Å; L33-L35 PolarHBondContact O-N 3.48Å; L35-R38 WeakPolarHBondContact O-CB 3.44Å; L35-R38 PolarHBondContact O-N 2.94Å; L35-W39 WeakPolarHBondContact O-CB 3.4Å; L35-W39 VanDerWaalsContact O-CD1 3.28Å; L35-W39 PolarHBondContact O-N 3.48Å
36	L	46.1	Very low	42.1	Very low	81 Å²	81	89.6 Å²	89.6	42%	0.424	51%	0.511	S	S	.	.	H	α-helix	trans	-67	-40.9	-178.9	-138.5	147.5	0	0	0	111.7	S32 L33 W39 H40	S32-L36 PolarHBondContact O-N 2.96Å; L33-L36 PolarHBondContact O-N 2.87Å; L36-W39 PolarHBondContact O-N 3.38Å; L36-H40 PolarHBondContact O-CD2 3.35Å; L36-H40 PolarHBondContact O-N 3.25Å
37	I	46.1	Very low	43.3	Very low	86 Å²	86	89.8 Å²	89.8	44%	0.441	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-43.2	171.9	-66	164	0	0	0	110.6	L33 W39 H40 C41	L33-I37 HydrophobicContact CG-CD1 4.3Å; L33-I37 WeakPolarHBondContact O-CG1 3.37Å; L33-I37 PolarHBondContact O-N 2.68Å; I37-W39 PolarHBondContact O-N 3.28Å; I37-H40 PolarHBondContact O-N 3.42Å; I37-C41 PolarHBondContact O-N 3.11Å; I37-C41 PolarHBondContact O-SG 2.89Å; I37-C41 VanDerWaalsContact O-SG 3.37Å
38	R	43.8	Very low	44.4	Very low	171 Å²	171	85.8 Å²	85.8	65%	0.645	47%	0.473	S	S	*	.	H	α-helix	trans	-60.7	-44.8	174.7	-87.6	-178.9	171.6	-179.5	-0.9	112.2	S34 L35 H40 C41 I42	S34-R38 WeakPolarHBondContact O-CB 3.27Å; S34-R38 WeakPolarHBondContact O-CG 3.08Å; S34-R38 PolarHBondContact O-N 2.7Å; L35-R38 WeakPolarHBondContact O-CB 3.44Å; L35-R38 PolarHBondContact O-N 2.94Å; R38-H40 VanDerWaalsContact C-N 3.34Å; R38-H40 PolarHBondContact O-N 3.15Å; R38-C41 PolarHBondContact O-N 2.96Å; R38-I42 WeakPolarHBondContact O-CB 3.46Å; R38-I42 WeakPolarHBondContact O-CD1 3.35Å; R38-I42 WeakPolarHBondContact O-CG1 3.33Å; R38-I42 PolarHBondContact O-N 2.88Å
39	W	48	Very low	45.6	Very low	180 Å²	180	84.7 Å²	84.7	68%	0.682	47%	0.468	S	S	*	.	H	α-helix	trans	-62.8	-39.8	176.4	-91.5	91.7	0	0	0	111.8	L35 L36 I37 I42 L43	L35-W39 WeakPolarHBondContact O-CB 3.4Å; L35-W39 VanDerWaalsContact O-CD1 3.28Å; L35-W39 PolarHBondContact O-N 3.48Å; L36-W39 PolarHBondContact O-N 3.38Å; I37-W39 PolarHBondContact O-N 3.28Å; W39-I42 PolarHBondContact O-N 3.25Å; W39-L43 VanDerWaalsContact O-CB 3.28Å; W39-L43 WeakPolarHBondContact O-CB 3.32Å; W39-L43 PolarHBondContact O-N 3.22Å
40	H	51.3	Low	46.7	Very low	50 Å²	50	83.9 Å²	83.9	23%	0.231	46%	0.458	C	S	.	.	H	α-helix	trans	-64.3	-43.1	173.5	-88.1	-55.2	0	0	0	112.9	L36 I37 R38 L43 G44	L36-H40 PolarHBondContact O-CD2 3.35Å; L36-H40 PolarHBondContact O-N 3.25Å; I37-H40 PolarHBondContact O-N 3.42Å; R38-H40 VanDerWaalsContact C-N 3.34Å; R38-H40 PolarHBondContact O-N 3.15Å; H40-L43 PolarHBondContact O-N 2.89Å; H40-G44 PolarHBondContact O-N 3.36Å
41	C	46.9	Very low	47.9	Very low	64 Å²	64	81.5 Å²	81.5	43%	0.432	44%	0.441	S	S	.	.	H	α-helix	trans	-62.3	-43.5	174.2	-68.6	0	0	0	0	111.6	I37 R38 G44 C45	I37-C41 PolarHBondContact O-N 3.11Å; I37-C41 PolarHBondContact O-SG 2.89Å; I37-C41 VanDerWaalsContact O-SG 3.37Å; R38-C41 PolarHBondContact O-N 2.96Å; C41-G44 PolarHBondContact O-N 3.49Å; C41-C45 WeakPolarHBondContact O-CB 3.45Å; C41-C45 PolarHBondContact O-N 3.16Å; C41-C45 PolarHBondContact O-SG 3.31Å
42	I	51.1	Low	49.1	Very low	92 Å²	92	80.5 Å²	80.5	47%	0.472	43%	0.432	S	S	.	.	H	α-helix	trans	-64.2	-44.8	177.9	-68.3	163	0	0	0	110.9	R38 W39 C45 L46	R38-I42 WeakPolarHBondContact O-CB 3.46Å; R38-I42 WeakPolarHBondContact O-CD1 3.35Å; R38-I42 WeakPolarHBondContact O-CG1 3.33Å; R38-I42 PolarHBondContact O-N 2.88Å; W39-I42 PolarHBondContact O-N 3.25Å; I42-C45 PolarHBondContact O-N 2.85Å; I42-L46 HydrophobicContact CG2-CD1 3.91Å; I42-L46 HydrophobicContact CG2-CG 4.5Å; I42-L46 WeakPolarHBondContact O-CB 3.44Å; I42-L46 WeakPolarHBondContact O-CG 3.14Å; I42-L46 PolarHBondContact O-N 2.84Å
43	L	51.8	Low	50.3	Low	64 Å²	64	82 Å²	82	34%	0.335	43%	0.434	S	S	.	.	H	α-helix	trans	-67.2	-40.2	179.4	-171	69.7	0	0	0	111.7	W39 H40 L46 L47	W39-L43 VanDerWaalsContact O-CB 3.28Å; W39-L43 WeakPolarHBondContact O-CB 3.32Å; W39-L43 PolarHBondContact O-N 3.22Å; H40-L43 PolarHBondContact O-N 2.89Å; L43-L46 PolarHBondContact O-N 2.63Å; L43-L47 HydrophobicContact CG-CD1 4.25Å; L43-L47 WeakPolarHBondContact O-CB 3.44Å; L43-L47 WeakPolarHBondContact O-CG 3.32Å; L43-L47 PolarHBondContact O-N 3.42Å
44	G	52.2	Low	51.2	Low	23 Å²	23	84.3 Å²	84.3	24%	0.237	44%	0.441	C	S	.	.	H	α-helix	trans	-59.7	-45.5	171.9	0	0	0	0	0	111.9	H40 C41 L46 L47 L48	H40-G44 PolarHBondContact O-N 3.36Å; C41-G44 PolarHBondContact O-N 3.49Å; G44-L46 PolarHBondContact O-N 3.49Å; G44-L47 PolarHBondContact O-N 3.24Å; G44-L48 WeakPolarHBondContact O-CB 3.35Å; G44-L48 PolarHBondContact O-N 3.2Å
45	C	49.9	Very low	52.1	Low	79 Å²	79	83 Å²	83	53%	0.534	43%	0.429	S	S	.	.	H	α-helix	trans	-64.9	-35.1	174.6	-72.1	0	0	0	0	113.1	C41 I42 L48 A49	C41-C45 WeakPolarHBondContact O-CB 3.45Å; C41-C45 PolarHBondContact O-N 3.16Å; C41-C45 PolarHBondContact O-SG 3.31Å; I42-C45 PolarHBondContact O-N 2.85Å; C45-L48 WeakPolarHBondContact O-CB 3.35Å; C45-A49 WeakPolarHBondContact O-CB 3.21Å; C45-A49 PolarHBondContact O-N 3.03Å
46	L	50.3	Low	53.1	Low	92 Å²	92	82.2 Å²	82.2	48%	0.482	43%	0.425	S	S	.	.	H	α-helix	trans	-70.4	-45.1	175.6	-81	165.8	0	0	0	112	I42 L43 G44 L48 A49 I50	I42-L46 HydrophobicContact CG2-CD1 3.91Å; I42-L46 HydrophobicContact CG2-CG 4.5Å; I42-L46 WeakPolarHBondContact O-CB 3.44Å; I42-L46 WeakPolarHBondContact O-CG 3.14Å; I42-L46 PolarHBondContact O-N 2.84Å; L43-L46 PolarHBondContact O-N 2.63Å; G44-L46 PolarHBondContact O-N 3.49Å; L46-L48 VanDerWaalsContact C-N 3.25Å; L46-L48 PolarHBondContact O-N 3.44Å; L46-A49 PolarHBondContact O-N 3.3Å; L46-I50 WeakPolarHBondContact O-CB 3.5Å; L46-I50 VanDerWaalsContact O-CG1 3.23Å; L46-I50 WeakPolarHBondContact O-CG1 3.36Å; L46-I50 PolarHBondContact O-N 3.13Å
47	L	53	Low	53.7	Low	104 Å²	104	81.5 Å²	81.5	55%	0.545	42%	0.421	S	S	.	.	H	α-helix	trans	-60.7	-39	174	-77.8	163.5	0	0	0	111	L43 G44 I50 S51	L43-L47 HydrophobicContact CG-CD1 4.25Å; L43-L47 WeakPolarHBondContact O-CB 3.44Å; L43-L47 WeakPolarHBondContact O-CG 3.32Å; L43-L47 PolarHBondContact O-N 3.42Å; G44-L47 PolarHBondContact O-N 3.24Å; L47-I50 PolarHBondContact O-N 2.91Å; L47-S51 WeakPolarHBondContact O-CB 3.35Å; L47-S51 PolarHBondContact O-N 3.23Å; L47-S51 PolarHBondContact O-OG 3.25Å; L47-S51 VanDerWaalsContact O-OG 3.14Å
48	L	52.9	Low	54.2	Low	40 Å²	40	80 Å²	80	21%	0.209	41%	0.413	C	S	.	.	H	α-helix	trans	-60.6	-50.1	171.8	176.5	154.5	0	0	0	111.6	G44 C45 L46 I50 S51 L52 Y76 L80	G44-L48 WeakPolarHBondContact O-CB 3.35Å; G44-L48 PolarHBondContact O-N 3.2Å; C45-L48 WeakPolarHBondContact O-CB 3.35Å; L46-L48 VanDerWaalsContact C-N 3.25Å; L46-L48 PolarHBondContact O-N 3.44Å; L48-I50 VanDerWaalsContact C-N 3.32Å; L48-I50 PolarHBondContact O-N 3.44Å; L48-S51 WeakPolarHBondContact CA-OG 3.31Å; L48-S51 PolarHBondContact O-N 2.9Å; L48-S51 PolarHBondContact O-OG 3.22Å; L48-L52 HydrophobicContact CD2-CD1 3.78Å; L48-L52 HydrophobicContact CG-CD1 4.36Å; L48-L52 WeakPolarHBondContact O-CG 3.38Å; L48-L52 PolarHBondContact O-N 2.87Å; L48-Y76 WeakPolarHBondContact CB-OH 3.35Å; L48-Y76 HydrophobicContact CD1-CE1 3.53Å; L48-Y76 WeakPolarHBondContact CD1-OH 3.38Å; L48-Y76 HydrophobicContact CD2-CE1 4.46Å; L48-Y76 HydrophobicContact CG-CE1 3.7Å; L48-Y76 WeakPolarHBondContact CG-OH 3.27Å; L48-L80 HydrophobicContact CD1-CD1 3.27Å
49	A	56.2	Low	54.8	Low	52 Å²	52	73.6 Å²	73.6	43%	0.43	40%	0.395	S	S	.	.	H	α-helix	trans	-60.9	-40.6	177	0	0	0	0	0	112	C45 L46 L53	C45-A49 WeakPolarHBondContact O-CB 3.21Å; C45-A49 PolarHBondContact O-N 3.03Å; L46-A49 PolarHBondContact O-N 3.3Å; A49-L53 WeakPolarHBondContact O-CB 3.42Å; A49-L53 PolarHBondContact O-N 3.37Å
50	I	57.7	Low	55.3	Low	106 Å²	106	70.9 Å²	70.9	54%	0.544	39%	0.393	S	S	.	.	H	α-helix	trans	-66.8	-43	177	-67.8	163.6	0	0	0	111	L46 L47 L48 L53 F54	L46-I50 WeakPolarHBondContact O-CB 3.5Å; L46-I50 VanDerWaalsContact O-CG1 3.23Å; L46-I50 WeakPolarHBondContact O-CG1 3.36Å; L46-I50 PolarHBondContact O-N 3.13Å; L47-I50 PolarHBondContact O-N 2.91Å; L48-I50 VanDerWaalsContact C-N 3.32Å; L48-I50 PolarHBondContact O-N 3.44Å; I50-L53 PolarHBondContact O-N 3.01Å; I50-F54 VanDerWaalsContact O-CB 3.31Å; I50-F54 WeakPolarHBondContact O-CB 3.4Å; I50-F54 PolarHBondContact O-N 3.37Å
51	S	58.7	Low	55.8	Low	41 Å²	41	76.8 Å²	76.8	29%	0.287	42%	0.418	S	S	.	.	H	α-helix	trans	-65.8	-41.2	178.3	63.4	0	0	0	0	112.1	L47 L48 F54 M55	L47-S51 WeakPolarHBondContact O-CB 3.35Å; L47-S51 PolarHBondContact O-N 3.23Å; L47-S51 PolarHBondContact O-OG 3.25Å; L47-S51 VanDerWaalsContact O-OG 3.14Å; L48-S51 WeakPolarHBondContact CA-OG 3.31Å; L48-S51 PolarHBondContact O-N 2.9Å; L48-S51 PolarHBondContact O-OG 3.22Å; S51-F54 PolarHBondContact O-N 2.91Å; S51-M55 WeakPolarHBondContact O-CB 3.5Å; S51-M55 WeakPolarHBondContact O-CG 3.37Å; S51-M55 PolarHBondContact O-N 2.95Å
52	L	58.4	Low	56.3	Low	64 Å²	64	80.7 Å²	80.7	34%	0.335	42%	0.424	S	S	.	.	H	α-helix	trans	-66.1	-41.1	172.9	-72.3	172.1	0	0	0	111.9	L48 M55 L56	L48-L52 HydrophobicContact CD2-CD1 3.78Å; L48-L52 HydrophobicContact CG-CD1 4.36Å; L48-L52 WeakPolarHBondContact O-CG 3.38Å; L48-L52 PolarHBondContact O-N 2.87Å; L52-M55 PolarHBondContact O-N 2.78Å; L52-L56 VanDerWaalsContact O-CB 3.27Å; L52-L56 WeakPolarHBondContact O-CB 3.29Å; L52-L56 PolarHBondContact O-N 3.24Å
53	L	61.4	Low	56.5	Low	105 Å²	105	88.6 Å²	88.6	55%	0.55	45%	0.448	S	S	.	.	H	α-helix	trans	-62.7	-45.1	175.3	-169.6	97.9	0	0	0	111.2	A49 I50 M55 L56 I57	A49-L53 WeakPolarHBondContact O-CB 3.42Å; A49-L53 PolarHBondContact O-N 3.37Å; I50-L53 PolarHBondContact O-N 3.01Å; L53-M55 VanDerWaalsContact C-N 3.34Å; L53-M55 PolarHBondContact O-N 3.15Å; L53-L56 PolarHBondContact O-N 3.35Å; L53-I57 HydrophobicContact CD2-CD1 3.84Å; L53-I57 HydrophobicContact CG-CD1 3.95Å; L53-I57 WeakPolarHBondContact O-CB 3.46Å; L53-I57 WeakPolarHBondContact O-CG1 3.49Å; L53-I57 PolarHBondContact O-N 3.12Å
54	F	59.7	Low	56.8	Low	120 Å²	120	88.1 Å²	88.1	53%	0.526	45%	0.445	S	S	.	.	H	α-helix	trans	-62.6	-40.9	176.8	-179.4	-104.8	0	0	0	111.7	I50 S51 I57 N58	I50-F54 VanDerWaalsContact O-CB 3.31Å; I50-F54 WeakPolarHBondContact O-CB 3.4Å; I50-F54 PolarHBondContact O-N 3.37Å; S51-F54 PolarHBondContact O-N 2.91Å; F54-I57 PolarHBondContact O-N 3.47Å; F54-N58 WeakPolarHBondContact CD1-ND2 3.34Å; F54-N58 WeakPolarHBondContact CE1-ND2 3.34Å; F54-N58 WeakPolarHBondContact CZ-ND2 3.39Å; F54-N58 WeakPolarHBondContact O-CB 3.47Å; F54-N58 PolarHBondContact O-N 2.85Å; F54-N58 PolarHBondContact O-ND2 2.99Å
55	M	58.2	Low	57.2	Low	34 Å²	34	89.8 Å²	89.8	17%	0.167	45%	0.451	C	S	.	.	H	α-helix	trans	-67.6	-37.5	175	-69.7	-63.6	-73.4	0	0	112.2	S51 L52 L53 N58 S59 I72 L214 L217	S51-M55 WeakPolarHBondContact O-CB 3.5Å; S51-M55 WeakPolarHBondContact O-CG 3.37Å; S51-M55 PolarHBondContact O-N 2.95Å; L52-M55 PolarHBondContact O-N 2.78Å; L53-M55 VanDerWaalsContact C-N 3.34Å; L53-M55 PolarHBondContact O-N 3.15Å; M55-N58 PolarHBondContact O-N 2.68Å; M55-S59 WeakPolarHBondContact O-CB 3.38Å; M55-S59 PolarHBondContact O-N 3.45Å; M55-I72 HydrophobicContact CE-CD1 3.77Å; M55-L214 HydrophobicContact SD-CD2 4.25Å; M55-L217 HydrophobicContact CE-CD1 4.34Å
56	L	60.6	Low	57.8	Low	79 Å²	79	91 Å²	91	41%	0.414	46%	0.46	S	S	.	.	H	α-helix	trans	-68.3	-42.1	175.2	-171.5	130.8	0	0	0	111.3	L52 L53 S59 I60	L52-L56 VanDerWaalsContact O-CB 3.27Å; L52-L56 WeakPolarHBondContact O-CB 3.29Å; L52-L56 PolarHBondContact O-N 3.24Å; L53-L56 PolarHBondContact O-N 3.35Å; L56-S59 PolarHBondContact O-N 3.1Å; L56-I60 HydrophobicContact CD2-CD1 3.65Å; L56-I60 HydrophobicContact CG-CD1 4.34Å; L56-I60 VanDerWaalsContact O-CG1 3.26Å; L56-I60 WeakPolarHBondContact O-CG1 3.37Å; L56-I60 PolarHBondContact O-N 3.25Å
57	I	60.4	Low	58.6	Low	66 Å²	66	93.2 Å²	93.2	34%	0.338	46%	0.463	S	S	.	.	H	α-helix	trans	-58.4	-50.9	171.3	-72.6	166.9	0	0	0	109.8	L53 F54 S59 I60 F61	L53-I57 HydrophobicContact CD2-CD1 3.84Å; L53-I57 HydrophobicContact CG-CD1 3.95Å; L53-I57 WeakPolarHBondContact O-CB 3.46Å; L53-I57 WeakPolarHBondContact O-CG1 3.49Å; L53-I57 PolarHBondContact O-N 3.12Å; F54-I57 PolarHBondContact O-N 3.47Å; I57-S59 VanDerWaalsContact C-N 3.27Å; I57-S59 PolarHBondContact O-N 3.39Å; I57-I60 PolarHBondContact O-N 2.88Å; I57-I60 VanDerWaalsContact O-N 3.08Å; I57-F61 HydrophobicContact CG2-CD2 3.65Å; I57-F61 HydrophobicContact CG2-CE2 3.84Å; I57-F61 VanDerWaalsContact O-CD2 3.22Å; I57-F61 WeakPolarHBondContact O-CD2 3.33Å; I57-F61 PolarHBondContact O-N 3.48Å
58	N	54.8	Low	59.1	Low	53 Å²	53	91 Å²	91	28%	0.283	45%	0.449	S	S	.	.	H	α-helix	trans	-61.9	-34.8	176.9	-79.2	-28.2	0	0	0	112.6	F54 M55 I60 R62	F54-N58 WeakPolarHBondContact CD1-ND2 3.34Å; F54-N58 WeakPolarHBondContact CE1-ND2 3.34Å; F54-N58 WeakPolarHBondContact CZ-ND2 3.39Å; F54-N58 WeakPolarHBondContact O-CB 3.47Å; F54-N58 PolarHBondContact O-N 2.85Å; F54-N58 PolarHBondContact O-ND2 2.99Å; M55-N58 PolarHBondContact O-N 2.68Å; N58-I60 VanDerWaalsContact C-N 3.34Å; N58-R62 WeakPolarHBondContact O-CA 3.48Å; N58-R62 WeakPolarHBondContact O-CB 3.18Å; N58-R62 PolarHBondContact O-N 2.9Å
59	S	57.6	Low	59.4	Low	38 Å²	38	91.8 Å²	91.8	27%	0.266	45%	0.45	S	S	.	.	H	α-helix	trans	-69.8	-29.8	174.7	-174.1	0	0	0	0	113	M55 L56 I57	M55-S59 WeakPolarHBondContact O-CB 3.38Å; M55-S59 PolarHBondContact O-N 3.45Å; L56-S59 PolarHBondContact O-N 3.1Å; I57-S59 VanDerWaalsContact C-N 3.27Å; I57-S59 PolarHBondContact O-N 3.39Å
60	I	58.9	Low	59.7	Low	123 Å²	123	96.1 Å²	96.1	63%	0.631	46%	0.46	S	S	*	.	H	α-helix	trans	-74.6	-43.6	175.1	-69.5	163.8	0	0	0	110.1	L56 I57 N58	L56-I60 HydrophobicContact CD2-CD1 3.65Å; L56-I60 HydrophobicContact CG-CD1 4.34Å; L56-I60 VanDerWaalsContact O-CG1 3.26Å; L56-I60 WeakPolarHBondContact O-CG1 3.37Å; L56-I60 PolarHBondContact O-N 3.25Å; I57-I60 PolarHBondContact O-N 2.88Å; I57-I60 VanDerWaalsContact O-N 3.08Å; N58-I60 VanDerWaalsContact C-N 3.34Å
61	F	61.7	Low	60	Low	173 Å²	173	95.3 Å²	95.3	76%	0.759	46%	0.455	S	S	*	.	H	α-helix	trans	-82.6	-28.7	-175.9	-77.1	-71.2	0	0	0	114.1	I57	I57-F61 HydrophobicContact CG2-CD2 3.65Å; I57-F61 HydrophobicContact CG2-CE2 3.84Å; I57-F61 VanDerWaalsContact O-CD2 3.22Å; I57-F61 WeakPolarHBondContact O-CD2 3.33Å; I57-F61 PolarHBondContact O-N 3.48Å
62	R	56.5	Low	60.1	Low	146 Å²	146	94.6 Å²	94.6	55%	0.551	45%	0.448	S	S	*	.	S	Bend	trans	-121.5	121.3	-176.5	-156.5	171.3	162	-163.5	-9.8	107	N58 I64 D221	N58-R62 WeakPolarHBondContact O-CA 3.48Å; N58-R62 WeakPolarHBondContact O-CB 3.18Å; N58-R62 PolarHBondContact O-N 2.9Å; R62-I64 PolarHBondContact O-N 3.38Å; R62-D221 IonicContact CZ-OD2 3.64Å; R62-D221 IonicContact NH1-OD2 3.77Å; R62-D221 IonicContact NH2-OD1 3.56Å; R62-D221 IonicContact NH2-OD2 2.64Å; R62-D221 PolarHBondContact NH2-OD2 2.93Å
63	R	56.6	Low	60.2	Low	259 Å²	259	94.3 Å²	94.3	98%	0.977	45%	0.446	S	S	*	.			trans	-59.1	70.1	176.3	-82.3	-179.9	173.6	164.3	-2.3	111.2
64	I	58	Low	60.3	Low	53 Å²	53	92.9 Å²	92.9	27%	0.272	44%	0.442	S	S	.	.			trans	-74.5	127	170.1	-61.8	172.3	0	0	0	105.6	R62 S66 K68	R62-I64 PolarHBondContact O-N 3.38Å; I64-S66 PolarHBondContact O-N 3.23Å; I64-K68 HydrophobicContact CG2-CB 3.95Å; I64-K68 HydrophobicContact CG2-CD 4.44Å
65	P	60.5	Low	60.1	Low	58 Å²	58	90 Å²	90	38%	0.377	43%	0.431	S	S	.	.			trans	-62.5	132.6	176.9	25.9	-33.6	0	0	0	109.8	Y67 K68	P65-Y67 HydrophobicContact CB-CD1 3.77Å; P65-Y67 HydrophobicContact CB-CE1 3.5Å; P65-Y67 VanDerWaalsContact CB-CE1 3.5Å; P65-Y67 HydrophobicContact CG-CD1 4.22Å; P65-Y67 HydrophobicContact CG-CE1 3.58Å; P65-Y67 PolarHBondContact O-N 3.22Å; P65-K68 HydrophobicContact CG-CD 4.03Å; P65-K68 HydrophobicContact CG-CG 4.16Å; P65-K68 PolarHBondContact O-N 3.38Å
66	S	62.5	Low	60.2	Low	104 Å²	104	90.5 Å²	90.5	73%	0.727	43%	0.432	S	S	*	.	H	α-helix	trans	-54.1	-28.8	-168.9	48.4	0	0	0	0	114.8	I64 K68 Y69 F70	I64-S66 PolarHBondContact O-N 3.23Å; S66-K68 PolarHBondContact O-N 3.06Å; S66-Y69 WeakPolarHBondContact O-CB 3.42Å; S66-Y69 PolarHBondContact O-N 3.16Å; S66-F70 PolarHBondContact O-N 2.95Å; S66-F70 VanDerWaalsContact O-N 3.1Å
67	Y	66.9	Low	59.9	Low	139 Å²	139	91.6 Å²	91.6	55%	0.545	44%	0.437	S	S	.	.	H	α-helix	trans	-65.9	-34.8	177.2	76.4	-93.5	0	0	0	113.1	P65 Y69 F70 I71	P65-Y67 HydrophobicContact CB-CD1 3.77Å; P65-Y67 HydrophobicContact CB-CE1 3.5Å; P65-Y67 VanDerWaalsContact CB-CE1 3.5Å; P65-Y67 HydrophobicContact CG-CD1 4.22Å; P65-Y67 HydrophobicContact CG-CE1 3.58Å; P65-Y67 PolarHBondContact O-N 3.22Å; Y67-Y69 VanDerWaalsContact C-N 3.29Å; Y67-Y69 PolarHBondContact O-N 3.35Å; Y67-F70 PolarHBondContact O-N 3.42Å; Y67-I71 HydrophobicContact CD2-CD1 4.09Å; Y67-I71 WeakPolarHBondContact O-CG1 3.4Å; Y67-I71 PolarHBondContact O-N 2.96Å
68	K	62.6	Low	59.6	Low	57 Å²	57	90.9 Å²	90.9	25%	0.248	44%	0.438	C	S	.	.	H	α-helix	trans	-63.7	-39.7	176	-71.7	-173	176.9	-173.8	0	110.1	I64 P65 S66 I71 I72 L217	I64-K68 HydrophobicContact CG2-CB 3.95Å; I64-K68 HydrophobicContact CG2-CD 4.44Å; P65-K68 HydrophobicContact CG-CD 4.03Å; P65-K68 HydrophobicContact CG-CG 4.16Å; P65-K68 PolarHBondContact O-N 3.38Å; S66-K68 PolarHBondContact O-N 3.06Å; K68-I71 PolarHBondContact O-N 3.06Å; K68-I72 VanDerWaalsContact O-CD1 3.27Å; K68-I72 WeakPolarHBondContact O-CD1 3.17Å; K68-I72 WeakPolarHBondContact O-CG1 3.13Å; K68-I72 PolarHBondContact O-N 3.03Å; K68-I72 VanDerWaalsContact O-N 3.12Å; K68-L217 HydrophobicContact CB-CD2 4.24Å; K68-L217 HydrophobicContact CD-CD2 3.99Å; K68-L217 HydrophobicContact CG-CD2 4.38Å
69	Y	60.5	Low	59.6	Low	57 Å²	57	89.9 Å²	89.9	22%	0.224	43%	0.433	C	S	.	.	H	α-helix	trans	-63.9	-42.9	176.1	-166.4	-101.2	0	0	0	112.2	S66 Y67 I72 I73	S66-Y69 WeakPolarHBondContact O-CB 3.42Å; S66-Y69 PolarHBondContact O-N 3.16Å; Y67-Y69 VanDerWaalsContact C-N 3.29Å; Y67-Y69 PolarHBondContact O-N 3.35Å; Y69-I72 PolarHBondContact O-N 3.36Å; Y69-I73 HydrophobicContact CD1-CD1 3.63Å; Y69-I73 HydrophobicContact CD1-CG1 4.44Å; Y69-I73 HydrophobicContact CE1-CD1 3.23Å; Y69-I73 HydrophobicContact CE1-CG1 4.22Å; Y69-I73 PolarHBondContact O-N 3.42Å
70	F	61.4	Low	59.3	Low	144 Å²	144	91.6 Å²	91.6	63%	0.632	44%	0.439	S	S	*	.	H	α-helix	trans	-62.7	-43.9	176.5	-172.4	-97.9	0	0	0	112.6	S66 Y67 I72 I73 V74	S66-F70 PolarHBondContact O-N 2.95Å; S66-F70 VanDerWaalsContact O-N 3.1Å; Y67-F70 PolarHBondContact O-N 3.42Å; F70-I72 VanDerWaalsContact C-N 3.32Å; F70-I72 PolarHBondContact O-N 2.9Å; F70-I73 PolarHBondContact O-N 3.48Å; F70-V74 HydrophobicContact CD1-CG2 4Å; F70-V74 HydrophobicContact CE1-CG2 3.63Å; F70-V74 HydrophobicContact CE2-CG2 4.33Å; F70-V74 HydrophobicContact CZ-CG2 3.81Å; F70-V74 WeakPolarHBondContact O-CG2 3.4Å; F70-V74 PolarHBondContact O-N 3.39Å
71	I	63.1	Low	58.9	Low	89 Å²	89	90.9 Å²	90.9	46%	0.456	44%	0.436	S	S	.	.	H	α-helix	trans	-61	-41.7	176.9	-68.5	169	0	0	0	111	Y67 K68 V74 L75	Y67-I71 HydrophobicContact CD2-CD1 4.09Å; Y67-I71 WeakPolarHBondContact O-CG1 3.4Å; Y67-I71 PolarHBondContact O-N 2.96Å; K68-I71 PolarHBondContact O-N 3.06Å; I71-V74 PolarHBondContact O-N 3.14Å; I71-L75 HydrophobicContact CG2-CD1 3.64Å; I71-L75 HydrophobicContact CG2-CG 4.33Å; I71-L75 WeakPolarHBondContact O-CB 3.38Å; I71-L75 WeakPolarHBondContact O-CG 3.46Å; I71-L75 PolarHBondContact O-N 2.98Å
72	I	61.2	Low	58.4	Low	25 Å²	25	88.3 Å²	88.3	13%	0.128	43%	0.429	C	S	.	.	H	α-helix	trans	-61.4	-47.8	176.8	-65	158.7	0	0	0	110.7	M55 K68 Y69 F70 Y76 L213 L217	M55-I72 HydrophobicContact CE-CD1 3.77Å; K68-I72 VanDerWaalsContact O-CD1 3.27Å; K68-I72 WeakPolarHBondContact O-CD1 3.17Å; K68-I72 WeakPolarHBondContact O-CG1 3.13Å; K68-I72 PolarHBondContact O-N 3.03Å; K68-I72 VanDerWaalsContact O-N 3.12Å; Y69-I72 PolarHBondContact O-N 3.36Å; F70-I72 VanDerWaalsContact C-N 3.32Å; F70-I72 PolarHBondContact O-N 2.9Å; I72-Y76 WeakPolarHBondContact O-CB 3.34Å; I72-Y76 PolarHBondContact O-N 2.85Å; I72-L213 HydrophobicContact CG1-CD2 3.74Å; I72-L217 HydrophobicContact CD1-CD1 3.52Å; I72-L217 HydrophobicContact CD1-CD2 4.23Å; I72-L217 HydrophobicContact CG1-CD1 4.1Å
73	I	61.7	Low	58	Low	59 Å²	59	84.8 Å²	84.8	30%	0.303	43%	0.427	S	S	.	.	H	α-helix	trans	-61.7	-48.4	179.5	-71.7	174.5	0	0	0	111.2	Y69 F70 Y76 I77	Y69-I73 HydrophobicContact CD1-CD1 3.63Å; Y69-I73 HydrophobicContact CD1-CG1 4.44Å; Y69-I73 HydrophobicContact CE1-CD1 3.23Å; Y69-I73 HydrophobicContact CE1-CG1 4.22Å; Y69-I73 PolarHBondContact O-N 3.42Å; F70-I73 PolarHBondContact O-N 3.48Å; I73-Y76 PolarHBondContact O-N 3.46Å; I73-I77 HydrophobicContact CG2-CD1 3.74Å; I73-I77 HydrophobicContact CG2-CG1 4.39Å; I73-I77 VanDerWaalsContact O-CG1 3.3Å; I73-I77 WeakPolarHBondContact O-CG1 3.46Å; I73-I77 PolarHBondContact O-N 2.91Å
74	V	62.9	Low	57.4	Low	74 Å²	74	74.5 Å²	74.5	45%	0.448	40%	0.395	S	S	.	.	H	α-helix	trans	-62.6	-45.8	-178.3	171.9	0	0	0	0	111.2	F70 I71 Y76 I77 S78	F70-V74 HydrophobicContact CD1-CG2 4Å; F70-V74 HydrophobicContact CE1-CG2 3.63Å; F70-V74 HydrophobicContact CE2-CG2 4.33Å; F70-V74 HydrophobicContact CZ-CG2 3.81Å; F70-V74 WeakPolarHBondContact O-CG2 3.4Å; F70-V74 PolarHBondContact O-N 3.39Å; I71-V74 PolarHBondContact O-N 3.14Å; V74-Y76 VanDerWaalsContact C-N 3.34Å; V74-Y76 PolarHBondContact O-N 3Å; V74-I77 PolarHBondContact O-N 3.35Å; V74-S78 PolarHBondContact O-N 3.36Å
75	L	56.6	Low	56.7	Low	60 Å²	60	76 Å²	76	31%	0.314	40%	0.403	S	S	.	.	H	α-helix	trans	-65.7	-37.9	177.1	-72.1	171.7	0	0	0	111.5	I71 S78 V79 L213	I71-L75 HydrophobicContact CG2-CD1 3.64Å; I71-L75 HydrophobicContact CG2-CG 4.33Å; I71-L75 WeakPolarHBondContact O-CB 3.38Å; I71-L75 WeakPolarHBondContact O-CG 3.46Å; I71-L75 PolarHBondContact O-N 2.98Å; L75-S78 PolarHBondContact O-N 2.84Å; L75-S78 PolarHBondContact O-OG 3.32Å; L75-V79 WeakPolarHBondContact O-CG2 3.48Å; L75-V79 PolarHBondContact O-N 3.28Å; L75-V79 VanDerWaalsContact O-N 3.1Å; L75-L213 HydrophobicContact CD1-CD1 4.18Å
76	Y	58.5	Low	56	Low	44 Å²	44	77 Å²	77	17%	0.173	41%	0.41	C	S	.	.	H	α-helix	trans	-65.1	-44	177.2	-165.2	-100.7	0	0	0	112.6	L48 I72 I73 V74 S78 V79 L80 I210	L48-Y76 WeakPolarHBondContact CB-OH 3.35Å; L48-Y76 HydrophobicContact CD1-CE1 3.53Å; L48-Y76 WeakPolarHBondContact CD1-OH 3.38Å; L48-Y76 HydrophobicContact CD2-CE1 4.46Å; L48-Y76 HydrophobicContact CG-CE1 3.7Å; L48-Y76 WeakPolarHBondContact CG-OH 3.27Å; I72-Y76 WeakPolarHBondContact O-CB 3.34Å; I72-Y76 PolarHBondContact O-N 2.85Å; I73-Y76 PolarHBondContact O-N 3.46Å; V74-Y76 VanDerWaalsContact C-N 3.34Å; V74-Y76 PolarHBondContact O-N 3Å; Y76-S78 VanDerWaalsContact C-N 3.27Å; Y76-S78 PolarHBondContact O-N 3Å; Y76-V79 PolarHBondContact O-N 3.11Å; Y76-L80 HydrophobicContact CD1-CD1 4.39Å; Y76-L80 HydrophobicContact CE1-CD1 3.82Å; Y76-L80 PolarHBondContact O-N 2.88Å; Y76-I210 HydrophobicContact CE2-CD1 4.45Å
77	I	55.5	Low	54.9	Low	103 Å²	103	79.2 Å²	79.2	53%	0.528	41%	0.406	S	S	.	.	H	α-helix	trans	-58.2	-42.3	173.7	-69.4	169.4	0	0	0	110.2	I73 V74 V79 L80 L81	I73-I77 HydrophobicContact CG2-CD1 3.74Å; I73-I77 HydrophobicContact CG2-CG1 4.39Å; I73-I77 VanDerWaalsContact O-CG1 3.3Å; I73-I77 WeakPolarHBondContact O-CG1 3.46Å; I73-I77 PolarHBondContact O-N 2.91Å; V74-I77 PolarHBondContact O-N 3.35Å; I77-V79 PolarHBondContact O-N 3.09Å; I77-L80 PolarHBondContact O-N 3.27Å; I77-L81 WeakPolarHBondContact O-CB 3.34Å; I77-L81 PolarHBondContact O-N 3.24Å
78	S	54.4	Low	53.4	Low	50 Å²	50	77.6 Å²	77.6	35%	0.35	41%	0.406	S	S	.	.	H	α-helix	trans	-62.3	-40.2	178.9	77.7	0	0	0	0	112.9	V74 L75 Y76 L81 I82	V74-S78 PolarHBondContact O-N 3.36Å; L75-S78 PolarHBondContact O-N 2.84Å; L75-S78 PolarHBondContact O-OG 3.32Å; Y76-S78 VanDerWaalsContact C-N 3.27Å; Y76-S78 PolarHBondContact O-N 3Å; S78-L81 PolarHBondContact O-N 3.46Å; S78-I82 WeakPolarHBondContact O-CG1 3.34Å; S78-I82 PolarHBondContact O-N 3.44Å; S78-I82 VanDerWaalsContact O-N 3.13Å
79	V	53.9	Low	52.4	Low	32 Å²	32	79.6 Å²	79.6	19%	0.194	42%	0.419	C	S	.	.	H	α-helix	trans	-71.5	-38.3	179	174.8	0	0	0	0	111.4	L75 Y76 I77 L81 I82 S83 L206 Y209	L75-V79 WeakPolarHBondContact O-CG2 3.48Å; L75-V79 PolarHBondContact O-N 3.28Å; L75-V79 VanDerWaalsContact O-N 3.1Å; Y76-V79 PolarHBondContact O-N 3.11Å; I77-V79 PolarHBondContact O-N 3.09Å; V79-L81 VanDerWaalsContact C-N 3.29Å; V79-L81 PolarHBondContact O-N 3.49Å; V79-I82 PolarHBondContact O-N 2.92Å; V79-S83 WeakPolarHBondContact O-CB 3.47Å; V79-S83 PolarHBondContact O-N 3.48Å; V79-S83 PolarHBondContact O-OG 3.4Å; V79-L206 HydrophobicContact CG1-CD1 3.5Å; V79-L206 VanDerWaalsContact CG1-CD1 3.5Å; V79-Y209 HydrophobicContact CG2-CD1 4.31Å; V79-Y209 HydrophobicContact CG2-CE1 4.08Å
80	L	51.6	Low	51.2	Low	75 Å²	75	82.4 Å²	82.4	39%	0.393	43%	0.432	S	S	.	.	H	α-helix	trans	-64.2	-37.9	177	-148.7	140.6	0	0	0	111.4	L48 Y76 I77 S83 S84	L48-L80 HydrophobicContact CD1-CD1 3.27Å; Y76-L80 HydrophobicContact CD1-CD1 4.39Å; Y76-L80 HydrophobicContact CE1-CD1 3.82Å; Y76-L80 PolarHBondContact O-N 2.88Å; I77-L80 PolarHBondContact O-N 3.27Å; L80-S83 WeakPolarHBondContact CA-OG 3.29Å; L80-S83 PolarHBondContact O-N 3.06Å; L80-S83 PolarHBondContact O-OG 3.34Å; L80-S84 WeakPolarHBondContact O-CB 3.5Å; L80-S84 PolarHBondContact O-N 2.94Å; L80-S84 VanDerWaalsContact O-N 3.1Å; L80-S84 PolarHBondContact O-OG 3.15Å
81	L	49.8	Very low	49.9	Very low	108 Å²	108	77.8 Å²	77.8	57%	0.565	42%	0.418	S	S	*	.	H	α-helix	trans	-65.6	-38	174.6	-155.4	141.9	0	0	0	112.1	I77 S78 V79 S84 L85	I77-L81 WeakPolarHBondContact O-CB 3.34Å; I77-L81 PolarHBondContact O-N 3.24Å; S78-L81 PolarHBondContact O-N 3.46Å; V79-L81 VanDerWaalsContact C-N 3.29Å; V79-L81 PolarHBondContact O-N 3.49Å; L81-S84 PolarHBondContact O-OG 2.97Å; L81-L85 HydrophobicContact CD2-CD1 4.45Å; L81-L85 PolarHBondContact O-N 2.98Å
82	I	50.7	Low	48.5	Very low	118 Å²	118	76.7 Å²	76.7	61%	0.605	42%	0.418	S	S	*	.	H	α-helix	trans	-70.1	-42.5	174.8	-66.4	163.7	0	0	0	111.4	S78 V79 S84 L85	S78-I82 WeakPolarHBondContact O-CG1 3.34Å; S78-I82 PolarHBondContact O-N 3.44Å; S78-I82 VanDerWaalsContact O-N 3.13Å; V79-I82 PolarHBondContact O-N 2.92Å; I82-S84 VanDerWaalsContact C-N 3.3Å; I82-S84 PolarHBondContact O-N 3.41Å; I82-L85 WeakPolarHBondContact O-CB 3.44Å; I82-L85 PolarHBondContact O-N 3.23Å
83	S	48.9	Very low	47.2	Very low	72 Å²	72	78.2 Å²	78.2	50%	0.503	43%	0.431	S	S	.	.	H	α-helix	trans	-68.8	-25.7	-178.8	70.6	0	0	0	0	114	V79 L80 P86	V79-S83 WeakPolarHBondContact O-CB 3.47Å; V79-S83 PolarHBondContact O-N 3.48Å; V79-S83 PolarHBondContact O-OG 3.4Å; L80-S83 WeakPolarHBondContact CA-OG 3.29Å; L80-S83 PolarHBondContact O-N 3.06Å; L80-S83 PolarHBondContact O-OG 3.34Å; S83-P86 WeakPolarHBondContact O-CD 2.99Å
84	S	44.9	Very low	45.7	Very low	43 Å²	43	80.2 Å²	80.2	30%	0.301	44%	0.441	S	S	.	.	H	α-helix	trans	-87.8	-13.7	178.2	52	0	0	0	0	113.8	L80 L81 I82 F87 L88	L80-S84 WeakPolarHBondContact O-CB 3.5Å; L80-S84 PolarHBondContact O-N 2.94Å; L80-S84 VanDerWaalsContact O-N 3.1Å; L80-S84 PolarHBondContact O-OG 3.15Å; L81-S84 PolarHBondContact O-OG 2.97Å; I82-S84 VanDerWaalsContact C-N 3.3Å; I82-S84 PolarHBondContact O-N 3.41Å; S84-F87 PolarHBondContact O-N 3.42Å; S84-L88 PolarHBondContact O-N 3Å; S84-L88 VanDerWaalsContact O-N 3.16Å
85	L	42.5	Very low	44	Very low	85 Å²	85	83.9 Å²	83.9	45%	0.445	45%	0.453	S	S	.	.	H	α-helix	trans	-56.3	-44.2	179.8	-135.6	95.1	0	0	0	113.7	L81 I82 F87 L88 I89	L81-L85 HydrophobicContact CD2-CD1 4.45Å; L81-L85 PolarHBondContact O-N 2.98Å; I82-L85 WeakPolarHBondContact O-CB 3.44Å; I82-L85 PolarHBondContact O-N 3.23Å; L85-F87 VanDerWaalsContact C-N 3.28Å; L85-F87 PolarHBondContact O-N 2.84Å; L85-L88 PolarHBondContact O-N 3.16Å; L85-I89 HydrophobicContact CD2-CD1 4.3Å; L85-I89 WeakPolarHBondContact O-CD1 3.15Å; L85-I89 VanDerWaalsContact O-CG1 3.26Å; L85-I89 WeakPolarHBondContact O-CG1 3.26Å; L85-I89 PolarHBondContact O-N 3.35Å
86	P	45.2	Very low	42.7	Very low	80 Å²	80	88.2 Å²	88.2	52%	0.519	48%	0.476	S	S	.	.	H	α-helix	trans	-62.8	-34.4	178.5	-21.3	32.9	0	0	0	113	S83 K90	S83-P86 WeakPolarHBondContact O-CD 2.99Å; P86-K90 PolarHBondContact O-N 3.48Å; P86-K90 VanDerWaalsContact O-N 3.14Å
87	F	39.5	Very low	41.2	Very low	150 Å²	150	93.9 Å²	93.9	66%	0.658	51%	0.506	S	S	*	.	H	α-helix	trans	-70.9	-41.5	178.8	-173.9	-96.3	0	0	0	111.7	S84 L85 I89 K90 S91	S84-F87 PolarHBondContact O-N 3.42Å; L85-F87 VanDerWaalsContact C-N 3.28Å; L85-F87 PolarHBondContact O-N 2.84Å; F87-I89 VanDerWaalsContact C-N 3.32Å; F87-I89 PolarHBondContact O-N 3.36Å; F87-K90 PolarHBondContact O-N 3Å; F87-S91 PolarHBondContact O-N 3.06Å
88	L	36.1	Very low	39.8	Very low	104 Å²	104	99.6 Å²	99.6	55%	0.545	52%	0.521	S	S	.	.	H	α-helix	trans	-64.6	-34.5	175.2	-77.2	163.8	0	0	0	112.5	S84 L85 S91 S92	S84-L88 PolarHBondContact O-N 3Å; S84-L88 VanDerWaalsContact O-N 3.16Å; L85-L88 PolarHBondContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 3.5Å; L88-S92 PolarHBondContact O-N 2.85Å; L88-S92 PolarHBondContact O-OG 3.2Å
89	I	41.6	Very low	38.7	Very low	99 Å²	99	101.6 Å²	101.6	51%	0.508	54%	0.535	S	S	.	.	H	α-helix	trans	-68.8	-36.7	174.9	-64.8	163	0	0	0	110.5	L85 F87 S92 S93	L85-I89 HydrophobicContact CD2-CD1 4.3Å; L85-I89 WeakPolarHBondContact O-CD1 3.15Å; L85-I89 VanDerWaalsContact O-CG1 3.26Å; L85-I89 WeakPolarHBondContact O-CG1 3.26Å; L85-I89 PolarHBondContact O-N 3.35Å; F87-I89 VanDerWaalsContact C-N 3.32Å; F87-I89 PolarHBondContact O-N 3.36Å; I89-S92 PolarHBondContact O-OG 3.38Å; I89-S93 WeakPolarHBondContact O-CB 3.44Å; I89-S93 PolarHBondContact O-N 3.48Å; I89-S93 PolarHBondContact O-OG 3.36Å
90	K	35.5	Very low	37.5	Very low	116 Å²	116	107.1 Å²	107.1	50%	0.504	56%	0.564	S	S	.	*	H	α-helix	trans	-71.8	-39.6	177.9	-156.6	165.1	-173.6	169.6	0	112	P86 F87 S93 I94 D195	P86-K90 PolarHBondContact O-N 3.48Å; P86-K90 VanDerWaalsContact O-N 3.14Å; F87-K90 PolarHBondContact O-N 3Å; K90-S93 WeakPolarHBondContact CA-OG 3.36Å; K90-S93 PolarHBondContact O-N 2.93Å; K90-S93 PolarHBondContact O-OG 3.2Å; K90-I94 HydrophobicContact CG-CD1 4.08Å; K90-I94 VanDerWaalsContact O-CG1 3.3Å; K90-I94 WeakPolarHBondContact O-CG1 3.19Å; K90-I94 PolarHBondContact O-N 2.94Å; K90-D195 IonicContact NZ-OD2 3.7Å
91	S	34	Very low	36.4	Very low	48 Å²	48	110.7 Å²	110.7	34%	0.336	58%	0.583	S	S	.	*	H	α-helix	trans	-64.6	-41.2	176.6	72.6	0	0	0	0	112.2	F87 L88 I94 E95	F87-S91 PolarHBondContact O-N 3.06Å; L88-S91 PolarHBondContact O-OG 3.5Å; S91-I94 PolarHBondContact O-N 3.4Å; S91-E95 PolarHBondContact O-N 3.07Å
92	S	34	Very low	35.3	Very low	65 Å²	65	112.4 Å²	112.4	46%	0.455	59%	0.593	S	S	.	*	H	α-helix	trans	-66.9	-37.3	176	63.7	0	0	0	0	112.2	L88 I89 E95 L96	L88-S92 PolarHBondContact O-N 2.85Å; L88-S92 PolarHBondContact O-OG 3.2Å; I89-S92 PolarHBondContact O-OG 3.38Å; S92-E95 PolarHBondContact O-N 2.99Å; S92-L96 WeakPolarHBondContact O-CB 3.36Å; S92-L96 PolarHBondContact O-N 3.26Å
93	S	33.1	Very low	34.1	Very low	57 Å²	57	115.8 Å²	115.8	40%	0.399	60%	0.603	S	S	.	*	H	α-helix	trans	-66.3	-35.7	175	73.2	0	0	0	0	113.3	I89 K90 M97	I89-S93 WeakPolarHBondContact O-CB 3.44Å; I89-S93 PolarHBondContact O-N 3.48Å; I89-S93 PolarHBondContact O-OG 3.36Å; K90-S93 WeakPolarHBondContact CA-OG 3.36Å; K90-S93 PolarHBondContact O-N 2.93Å; K90-S93 PolarHBondContact O-OG 3.2Å; S93-M97 WeakPolarHBondContact O-CB 3.45Å; S93-M97 WeakPolarHBondContact O-CG 3.33Å; S93-M97 PolarHBondContact O-N 2.91Å; S93-M97 VanDerWaalsContact O-N 3.13Å
94	I	31.4	Very low	33.1	Very low	102 Å²	102	118.6 Å²	118.6	52%	0.523	62%	0.62	S	S	.	*	H	α-helix	trans	-75	-37.3	178.6	-67.9	167.8	0	0	0	111.1	K90 S91 M97 R98	K90-I94 HydrophobicContact CG-CD1 4.08Å; K90-I94 VanDerWaalsContact O-CG1 3.3Å; K90-I94 WeakPolarHBondContact O-CG1 3.19Å; K90-I94 PolarHBondContact O-N 2.94Å; S91-I94 PolarHBondContact O-N 3.4Å; I94-M97 PolarHBondContact O-N 3.34Å; I94-R98 PolarHBondContact O-N 2.9Å
95	E	26.8	Very low	32.1	Very low	151 Å²	151	124.4 Å²	124.4	71%	0.706	65%	0.646	S	S	*	*	H	α-helix	trans	-68.8	-36.9	173.5	-91.3	172.6	160	0	0	112.4	S91 S92 M97 R98	S91-E95 PolarHBondContact O-N 3.07Å; S92-E95 PolarHBondContact O-N 2.99Å; E95-M97 VanDerWaalsContact C-N 3.26Å; E95-M97 PolarHBondContact O-N 2.89Å; E95-R98 PolarHBondContact O-N 3.32Å
96	L	29.9	Very low	31.2	Very low	151 Å²	151	131.4 Å²	131.4	79%	0.791	67%	0.667	S	S	*	*	H	α-helix	trans	-65.7	-30.7	173.6	-141	84.4	0	0	0	112.2	S92	S92-L96 WeakPolarHBondContact O-CB 3.36Å; S92-L96 PolarHBondContact O-N 3.26Å
97	M	26.5	Very low	30.2	Very low	163 Å²	163	135.3 Å²	135.3	80%	0.803	68%	0.68	S	S	*	*	H	α-helix	trans	-76.4	-21.9	178.4	-76.9	-79.8	-161.4	0	0	113.9	S93 I94 E95	S93-M97 WeakPolarHBondContact O-CB 3.45Å; S93-M97 WeakPolarHBondContact O-CG 3.33Å; S93-M97 PolarHBondContact O-N 2.91Å; S93-M97 VanDerWaalsContact O-N 3.13Å; I94-M97 PolarHBondContact O-N 3.34Å; E95-M97 VanDerWaalsContact C-N 3.26Å; E95-M97 PolarHBondContact O-N 2.89Å
98	R	26	Very low	29.3	Very low	222 Å²	222	136.2 Å²	136.2	84%	0.838	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-12.1	-176.2	-149.6	175.8	-158.3	164	6	113.9	I94 E95	I94-R98 PolarHBondContact O-N 2.9Å; E95-R98 PolarHBondContact O-N 3.32Å
99	S	30.6	Very low	28.7	Very low	92 Å²	92	138.2 Å²	138.2	64%	0.643	70%	0.697	S	S	*	*	S	Bend	trans	-84.4	-15.3	-171	-172.4	0	0	0	0	115.5
100	N	28.9	Very low	27.8	Very low	149 Å²	149	140 Å²	140	80%	0.797	71%	0.706	S	S	*	*			trans	-119.8	87.2	-176.8	-78.6	-9.9	0	0	0	111.5	D102	N100-D102 PolarHBondContact O-N 3.48Å
101	N	28.7	Very low	27.2	Very low	149 Å²	149	140.6 Å²	140.6	80%	0.797	72%	0.719	S	S	*	*			trans	-60.7	123.1	153.6	-74.4	-25.3	0	0	0	108.4
102	D	26.4	Very low	26.7	Very low	145 Å²	145	144 Å²	144	78%	0.775	74%	0.739	S	S	*	*	S	Bend	trans	128.4	103.8	155.8	-67.6	-20.5	0	0	0	113.6	N100	N100-D102 PolarHBondContact O-N 3.48Å
103	K	25.3	Very low	26.2	Very low	188 Å²	188	146.2 Å²	146.2	82%	0.817	75%	0.749	S	S	*	*			trans	77.5	135.3	164.5	-59.7	175.5	-179.1	173.5	0	116.7	L105	K103-L105 PolarHBondContact O-N 3.4Å
104	P	28.3	Very low	25.8	Very low	132 Å²	132	150.5 Å²	150.5	86%	0.857	77%	0.773	S	S	*	*			trans	-76	93.4	-175.7	32.3	-32.4	0	0	0	109.3	R106	P104-R106 PolarHBondContact O-N 2.9Å
105	L	24	Very low	25.4	Very low	164 Å²	164	151.6 Å²	151.6	86%	0.859	79%	0.785	S	S	*	*			trans	-72.3	110.8	171.9	-103.2	137.8	0	0	0	109	K103 M107	K103-L105 PolarHBondContact O-N 3.4Å; L105-M107 PolarHBondContact O-N 2.88Å
106	R	23	Very low	25.3	Very low	233 Å²	233	149.6 Å²	149.6	88%	0.879	79%	0.794	S	S	*	*			trans	-37.6	125.2	163.9	-75.4	176.8	174.3	-175.4	-3	109.8	P104 M108	P104-R106 PolarHBondContact O-N 2.9Å; R106-M108 VanDerWaalsContact C-N 3.3Å; R106-M108 PolarHBondContact O-N 3.32Å
107	M	24.2	Very low	25	Very low	162 Å²	162	146.6 Å²	146.6	80%	0.798	79%	0.791	S	S	*	*			trans	-59.6	93	169.4	-171.8	168.4	178.5	0	0	108.8	L105 M109	L105-M107 PolarHBondContact O-N 2.88Å; M107-M109 VanDerWaalsContact C-N 3.27Å; M107-M109 HydrophobicContact CE-CE 3.91Å; M107-M109 HydrophobicContact CE-CG 4.29Å; M107-M109 HydrophobicContact CG-CG 4.43Å; M107-M109 PolarHBondContact O-N 3.48Å
108	M	20.6	Very low	25	Very low	169 Å²	169	146 Å²	146	83%	0.833	79%	0.791	S	S	*	*			trans	-75.7	86.5	169.3	-160.8	173.8	-169.8	0	0	106.1	R106 I110	R106-M108 VanDerWaalsContact C-N 3.3Å; R106-M108 PolarHBondContact O-N 3.32Å; M108-I110 PolarHBondContact O-N 3.28Å
109	M	24.1	Very low	25	Very low	146 Å²	146	142.4 Å²	142.4	72%	0.719	79%	0.789	S	S	*	*			trans	-63.2	105.7	161.7	-78.6	-164	-150	0	0	106.4	M107 T111	M107-M109 VanDerWaalsContact C-N 3.27Å; M107-M109 HydrophobicContact CE-CE 3.91Å; M107-M109 HydrophobicContact CE-CG 4.29Å; M107-M109 HydrophobicContact CG-CG 4.43Å; M107-M109 PolarHBondContact O-N 3.48Å; M109-T111 PolarHBondContact O-N 3.08Å
110	I	22.4	Very low	25.2	Very low	137 Å²	137	145.8 Å²	145.8	70%	0.703	80%	0.8	S	S	*	*			trans	-64.1	104.9	175.2	-58.4	174.2	0	0	0	106.7	M108 T112	M108-I110 PolarHBondContact O-N 3.28Å; I110-T112 VanDerWaalsContact C-N 3.31Å; I110-T112 HydrophobicContact CG2-CG2 3.69Å; I110-T112 PolarHBondContact O-N 2.82Å
111	T	23	Very low	25.2	Very low	127 Å²	127	145.9 Å²	145.9	78%	0.779	80%	0.795	S	S	*	*			trans	-69.3	87.3	164.7	37.6	0	0	0	0	108	M109 T113	M109-T111 PolarHBondContact O-N 3.08Å; T111-T113 VanDerWaalsContact C-N 3.31Å; T111-T113 PolarHBondContact O-N 3.26Å
112	T	24.3	Very low	25.3	Very low	121 Å²	121	142.3 Å²	142.3	74%	0.742	78%	0.782	S	S	*	*			trans	-75.7	89.6	171.3	41.8	0	0	0	0	109.6	I110 T114	I110-T112 VanDerWaalsContact C-N 3.31Å; I110-T112 HydrophobicContact CG2-CG2 3.69Å; I110-T112 PolarHBondContact O-N 2.82Å; T112-T114 PolarHBondContact O-N 3.46Å
113	T	23.8	Very low	25.6	Very low	111 Å²	111	143.2 Å²	143.2	68%	0.681	78%	0.779	S	S	*	*			trans	-51.6	128.8	153.2	45.4	0	0	0	0	108.9	T111 T115	T111-T113 VanDerWaalsContact C-N 3.31Å; T111-T113 PolarHBondContact O-N 3.26Å; T113-T115 PolarHBondContact O-N 3.24Å
114	T	24.2	Very low	25.8	Very low	146 Å²	146	140.9 Å²	140.9	90%	0.896	77%	0.771	S	S	*	*			trans	-52.2	99.6	176	48.5	0	0	0	0	111.7	T112	T112-T114 PolarHBondContact O-N 3.46Å
115	T	23.6	Very low	26.2	Very low	126 Å²	126	137.8 Å²	137.8	77%	0.773	75%	0.749	S	S	*	*			trans	-124.7	113.1	158.5	50.5	0	0	0	0	108.2	T113 A117	T113-T115 PolarHBondContact O-N 3.24Å; T115-A117 PolarHBondContact O-N 3.43Å
116	A	23.6	Very low	26.5	Very low	109 Å²	109	135 Å²	135	90%	0.901	74%	0.735	S	S	*	*			trans	-54.4	118.5	173	0	0	0	0	0	111.1
117	A	24.7	Very low	26.8	Very low	88 Å²	88	127.7 Å²	127.7	73%	0.727	71%	0.713	S	S	*	*			trans	-175.5	121.2	146.1	0	0	0	0	0	108.5	T115	T115-A117 PolarHBondContact O-N 3.43Å
118	N	25.1	Very low	27.3	Very low	149 Å²	149	124.1 Å²	124.1	80%	0.797	70%	0.696	S	S	*	*			trans	28.6	118.3	151.8	-64.5	-12.3	0	0	0	118.8
119	D	26.9	Very low	27.9	Very low	148 Å²	148	123.4 Å²	123.4	79%	0.791	69%	0.685	S	S	*	*				-174	142.7	113.7	-87.5	-22.9	0	0	0	112.3	H121	D119-H121 PolarHBondContact O-N 3.14Å
120	N	33.9	Very low	28.1	Very low	163 Å²	163	118.3 Å²	118.3	87%	0.872	67%	0.67	S	S	*	*	S	Bend	trans	-68.2	34	-162.1	-78.1	-31.6	0	0	0	117.2
121	H	28.8	Very low	28.5	Very low	151 Å²	151	117.7 Å²	117.7	70%	0.699	67%	0.667	S	S	*	*			trans	-102.4	13.2	176.7	-83.5	-65.2	0	0	0	115.1	D119 F123 T125	D119-H121 PolarHBondContact O-N 3.14Å; H121-F123 PolarHBondContact O-N 3.23Å; H121-T125 PolarHBondContact O-OG1 2.92Å
122	S	31.9	Very low	29.1	Very low	74 Å²	74	116.5 Å²	116.5	52%	0.517	66%	0.657	S	S	.	*	H	α-helix	trans	-69.5	-24.6	-171.8	61.2	0	0	0	0	115.4	N126	S122-N126 WeakPolarHBondContact O-CB 3.36Å; S122-N126 PolarHBondContact O-N 3.33Å; S122-N126 PolarHBondContact O-ND2 3.43Å; S122-N126 VanDerWaalsContact O-ND2 3.07Å
123	F	31.6	Very low	29.5	Very low	163 Å²	163	115.7 Å²	115.7	72%	0.715	65%	0.648	S	S	*	*	H	α-helix	trans	-78.9	-43.9	-175.8	-164.9	-105.5	0	0	0	113.1	H121 I127	H121-F123 PolarHBondContact O-N 3.23Å; F123-I127 HydrophobicContact CD1-CD1 3.75Å; F123-I127 HydrophobicContact CE1-CD1 3.35Å; F123-I127 HydrophobicContact CE2-CD1 4.43Å; F123-I127 HydrophobicContact CG-CD1 4.45Å; F123-I127 HydrophobicContact CZ-CD1 3.74Å; F123-I127 WeakPolarHBondContact O-CG1 3.32Å; F123-I127 PolarHBondContact O-N 2.9Å; F123-I127 VanDerWaalsContact O-N 3.17Å
124	H	30.4	Very low	29.9	Very low	139 Å²	139	118.4 Å²	118.4	64%	0.644	65%	0.65	S	S	*	*	H	α-helix	trans	-74.3	-32.6	-177.7	-158.4	-68	0	0	0	112.4	I128	H124-I128 WeakPolarHBondContact ND1-CD1 3.49Å; H124-I128 VanDerWaalsContact O-CG1 3.31Å; H124-I128 WeakPolarHBondContact O-CG1 3.39Å; H124-I128 PolarHBondContact O-N 3.06Å
125	T	36.1	Very low	30.9	Very low	67 Å²	67	114.5 Å²	114.5	41%	0.411	63%	0.629	S	S	.	*	H	α-helix	trans	-73.3	-41.8	174.8	42.6	0	0	0	0	111.4	H121 I127 I128 Y129	H121-T125 PolarHBondContact O-OG1 2.92Å; T125-I127 VanDerWaalsContact C-N 3.34Å; T125-I127 PolarHBondContact O-N 3.07Å; T125-I128 PolarHBondContact O-N 3Å; T125-Y129 WeakPolarHBondContact O-CB 3.24Å; T125-Y129 VanDerWaalsContact O-CD2 3.31Å; T125-Y129 WeakPolarHBondContact O-CD2 3.43Å; T125-Y129 PolarHBondContact O-N 3Å
126	N	31.4	Very low	31.6	Very low	105 Å²	105	111.9 Å²	111.9	56%	0.561	62%	0.616	S	S	*	*	H	α-helix	trans	-66.7	-30.5	177.6	-74.1	-17	0	0	0	113.5	S122 G130	S122-N126 WeakPolarHBondContact O-CB 3.36Å; S122-N126 PolarHBondContact O-N 3.33Å; S122-N126 PolarHBondContact O-ND2 3.43Å; S122-N126 VanDerWaalsContact O-ND2 3.07Å; N126-G130 PolarHBondContact O-N 3.3Å
127	I	29.4	Very low	32.1	Very low	81 Å²	81	110.5 Å²	110.5	42%	0.415	60%	0.599	S	S	.	*	H	α-helix	trans	-69.8	-42.3	172.8	-70.8	170.6	0	0	0	111.1	F123 T125 G130 L131	F123-I127 HydrophobicContact CD1-CD1 3.75Å; F123-I127 HydrophobicContact CE1-CD1 3.35Å; F123-I127 HydrophobicContact CE2-CD1 4.43Å; F123-I127 HydrophobicContact CG-CD1 4.45Å; F123-I127 HydrophobicContact CZ-CD1 3.74Å; F123-I127 WeakPolarHBondContact O-CG1 3.32Å; F123-I127 PolarHBondContact O-N 2.9Å; F123-I127 VanDerWaalsContact O-N 3.17Å; T125-I127 VanDerWaalsContact C-N 3.34Å; T125-I127 PolarHBondContact O-N 3.07Å; I127-G130 PolarHBondContact O-N 2.81Å; I127-L131 HydrophobicContact CG2-CD1 3.87Å; I127-L131 WeakPolarHBondContact O-CB 3.16Å; I127-L131 WeakPolarHBondContact O-CG 3.32Å; I127-L131 PolarHBondContact O-N 2.81Å
128	I	33.6	Very low	32.7	Very low	86 Å²	86	112.6 Å²	112.6	44%	0.441	59%	0.589	S	S	.	*	H	α-helix	trans	-64.7	-41.6	175.9	-66.9	170.6	0	0	0	110.6	H124 T125 L131 N132	H124-I128 WeakPolarHBondContact ND1-CD1 3.49Å; H124-I128 VanDerWaalsContact O-CG1 3.31Å; H124-I128 WeakPolarHBondContact O-CG1 3.39Å; H124-I128 PolarHBondContact O-N 3.06Å; T125-I128 PolarHBondContact O-N 3Å; I128-L131 PolarHBondContact O-N 2.8Å; I128-N132 PolarHBondContact O-N 3.3Å
129	Y	32.7	Very low	33.3	Very low	155 Å²	155	107.7 Å²	107.7	61%	0.608	56%	0.562	S	S	*	*	H	α-helix	trans	-67.8	-37.9	174.6	-89.3	-74.8	0	0	0	112.7	T125 L131 N132 N133	T125-Y129 WeakPolarHBondContact O-CB 3.24Å; T125-Y129 VanDerWaalsContact O-CD2 3.31Å; T125-Y129 WeakPolarHBondContact O-CD2 3.43Å; T125-Y129 PolarHBondContact O-N 3Å; Y129-L131 VanDerWaalsContact C-N 3.35Å; Y129-N132 PolarHBondContact O-N 3.48Å; Y129-N133 PolarHBondContact O-N 2.91Å; Y129-N133 VanDerWaalsContact O-N 3.1Å
130	G	29.1	Very low	33.6	Very low	39 Å²	39	107.4 Å²	107.4	40%	0.402	55%	0.554	S	S	.	*	H	α-helix	trans	-63.9	-38.2	175	0	0	0	0	0	112.7	N126 I127 F134	N126-G130 PolarHBondContact O-N 3.3Å; I127-G130 PolarHBondContact O-N 2.81Å; G130-F134 PolarHBondContact O-N 2.7Å
131	L	29.9	Very low	33.6	Very low	123 Å²	123	106.3 Å²	106.3	64%	0.644	54%	0.539	S	S	*	.	H	α-helix	trans	-72.3	-37.2	175.3	-80.8	158.2	0	0	0	112.8	I127 I128 Y129	I127-L131 HydrophobicContact CG2-CD1 3.87Å; I127-L131 WeakPolarHBondContact O-CB 3.16Å; I127-L131 WeakPolarHBondContact O-CG 3.32Å; I127-L131 PolarHBondContact O-N 2.81Å; I128-L131 PolarHBondContact O-N 2.8Å; Y129-L131 VanDerWaalsContact C-N 3.35Å
132	N	36.9	Very low	33.9	Very low	103 Å²	103	101.2 Å²	101.2	55%	0.551	52%	0.518	S	S	*	.	H	α-helix	trans	-69.2	-34.4	177.2	-96.1	-4.8	0	0	0	113.3	I128 Y129 S135	I128-N132 PolarHBondContact O-N 3.3Å; Y129-N132 PolarHBondContact O-N 3.48Å; N132-S135 PolarHBondContact O-OG 3.46Å
133	N	32.9	Very low	34	Very low	104 Å²	104	102.6 Å²	102.6	56%	0.556	51%	0.513	S	S	*	.	H	α-helix	trans	-83.2	-21.4	-179.2	-84.9	-6.2	0	0	0	114.2	Y129 S137	Y129-N133 PolarHBondContact O-N 2.91Å; Y129-N133 VanDerWaalsContact O-N 3.1Å; N133-S137 PolarHBondContact O-N 3.16Å; N133-S137 PolarHBondContact O-OG 2.82Å
134	F	32.1	Very low	34	Very low	167 Å²	167	97.8 Å²	97.8	73%	0.732	50%	0.497	S	S	*	.	H	α-helix	trans	-70.4	-35.2	-180	-129.6	-88.8	0	0	0	112.5	G130	G130-F134 PolarHBondContact O-N 2.7Å
135	S	44.1	Very low	34.1	Very low	64 Å²	64	97.2 Å²	97.2	45%	0.448	50%	0.496	S	S	.	.	H	α-helix	trans	-74	-44.3	-180	65.7	0	0	0	0	112.1	N132 L139	N132-S135 PolarHBondContact O-OG 3.46Å; S135-L139 VanDerWaalsContact O-CB 3.31Å; S135-L139 WeakPolarHBondContact O-CB 3.48Å; S135-L139 VanDerWaalsContact O-CD1 3.29Å; S135-L139 WeakPolarHBondContact O-CD1 3.39Å; S135-L139 WeakPolarHBondContact O-CG 3.42Å; S135-L139 PolarHBondContact O-N 3.11Å
136	S	38.3	Very low	34.1	Very low	72 Å²	72	100.3 Å²	100.3	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-62.2	-47.4	-179.6	167.7	0	0	0	0	112.7	W138 L139 F140	S136-W138 PolarHBondContact O-N 2.84Å; S136-L139 PolarHBondContact O-N 3.5Å; S136-F140 PolarHBondContact O-N 2.91Å
137	S	34.5	Very low	34	Very low	79 Å²	79	99.4 Å²	99.4	55%	0.552	50%	0.501	S	S	*	.	H	α-helix	trans	-68.5	-37.1	-175	-50.1	0	0	0	0	112.7	N133 Y141	N133-S137 PolarHBondContact O-N 3.16Å; N133-S137 PolarHBondContact O-OG 2.82Å; S137-Y141 PolarHBondContact O-N 3.19Å; S137-Y141 VanDerWaalsContact O-N 3.08Å
138	W	37.1	Very low	34.2	Very low	133 Å²	133	100.8 Å²	100.8	50%	0.504	52%	0.515	S	S	.	.	H	α-helix	trans	-74.9	-36.9	177.2	-164.5	81.4	0	0	0	111.9	S136 F140 Y141 V142 L205	S136-W138 PolarHBondContact O-N 2.84Å; W138-F140 VanDerWaalsContact C-N 3.34Å; W138-F140 PolarHBondContact O-N 3.21Å; W138-Y141 WeakPolarHBondContact O-CB 3.4Å; W138-Y141 PolarHBondContact O-N 2.99Å; W138-V142 HydrophobicContact CD2-CG2 4.11Å; W138-V142 HydrophobicContact CE3-CG2 3.91Å; W138-V142 HydrophobicContact CH2-CG2 3.81Å; W138-V142 HydrophobicContact CZ2-CG2 4.03Å; W138-V142 HydrophobicContact CZ3-CG2 3.75Å; W138-V142 WeakPolarHBondContact O-CG2 3.45Å; W138-V142 PolarHBondContact O-N 3.3Å; W138-L205 HydrophobicContact CH2-CD2 3.57Å; W138-L205 HydrophobicContact CH2-CG 4.44Å; W138-L205 HydrophobicContact CZ3-CD1 3.9Å; W138-L205 HydrophobicContact CZ3-CD2 3.7Å; W138-L205 HydrophobicContact CZ3-CG 4.15Å
139	L	37.6	Very low	33.9	Very low	45 Å²	45	103.8 Å²	103.8	24%	0.236	53%	0.532	C	S	.	.	H	α-helix	trans	-63.2	-39.3	173.4	-75.3	166.6	0	0	0	111.9	S135 S136 V142 Y143 L198 C201	S135-L139 VanDerWaalsContact O-CB 3.31Å; S135-L139 WeakPolarHBondContact O-CB 3.48Å; S135-L139 VanDerWaalsContact O-CD1 3.29Å; S135-L139 WeakPolarHBondContact O-CD1 3.39Å; S135-L139 WeakPolarHBondContact O-CG 3.42Å; S135-L139 PolarHBondContact O-N 3.11Å; S136-L139 PolarHBondContact O-N 3.5Å; L139-V142 PolarHBondContact O-N 3.4Å; L139-Y143 WeakPolarHBondContact O-CB 3.46Å; L139-Y143 PolarHBondContact O-N 3.23Å; L139-L198 HydrophobicContact CD1-CD1 3.57Å; L139-C201 HydrophobicContact CD2-CB 3.85Å
140	F	33.9	Very low	33.6	Very low	142 Å²	142	100.3 Å²	100.3	62%	0.623	53%	0.529	S	S	*	.	H	α-helix	trans	-67.2	-39.3	173.8	-156.3	-92.3	0	0	0	111.6	S136 W138 V142 Y143 T144	S136-F140 PolarHBondContact O-N 2.91Å; W138-F140 VanDerWaalsContact C-N 3.34Å; W138-F140 PolarHBondContact O-N 3.21Å; F140-V142 PolarHBondContact O-N 2.95Å; F140-Y143 WeakPolarHBondContact O-CB 3.41Å; F140-Y143 PolarHBondContact O-N 2.99Å; F140-T144 HydrophobicContact CD1-CG2 3.88Å; F140-T144 HydrophobicContact CE1-CG2 3.76Å; F140-T144 WeakPolarHBondContact O-CG2 3.31Å; F140-T144 PolarHBondContact O-N 3.3Å; F140-T144 PolarHBondContact O-OG1 3.39Å
141	Y	34.2	Very low	33.4	Very low	141 Å²	141	104.1 Å²	104.1	55%	0.553	55%	0.549	S	S	*	.	H	α-helix	trans	-61.3	-42.8	175	-172	-99.2	0	0	0	112.6	S137 W138 T144 M145	S137-Y141 PolarHBondContact O-N 3.19Å; S137-Y141 VanDerWaalsContact O-N 3.08Å; W138-Y141 WeakPolarHBondContact O-CB 3.4Å; W138-Y141 PolarHBondContact O-N 2.99Å; Y141-T144 WeakPolarHBondContact CA-OG1 3.3Å; Y141-T144 PolarHBondContact O-N 3.5Å; Y141-T144 PolarHBondContact O-OG1 3.03Å; Y141-M145 HydrophobicContact CE1-CE 4.32Å; Y141-M145 HydrophobicContact CE1-CG 4.4Å; Y141-M145 WeakPolarHBondContact O-CG 3.38Å; Y141-M145 PolarHBondContact O-N 3.18Å; Y141-M145 VanDerWaalsContact O-N 3.13Å
142	V	33.7	Very low	33.2	Very low	43 Å²	43	104.1 Å²	104.1	26%	0.261	55%	0.554	S	S	.	*	H	α-helix	trans	-66.8	-37.9	174.4	175.3	0	0	0	0	111.5	W138 L139 F140 M145 I146	W138-V142 HydrophobicContact CD2-CG2 4.11Å; W138-V142 HydrophobicContact CE3-CG2 3.91Å; W138-V142 HydrophobicContact CH2-CG2 3.81Å; W138-V142 HydrophobicContact CZ2-CG2 4.03Å; W138-V142 HydrophobicContact CZ3-CG2 3.75Å; W138-V142 WeakPolarHBondContact O-CG2 3.45Å; W138-V142 PolarHBondContact O-N 3.3Å; L139-V142 PolarHBondContact O-N 3.4Å; F140-V142 PolarHBondContact O-N 2.95Å; V142-M145 PolarHBondContact O-N 3.05Å; V142-I146 HydrophobicContact CG1-CD1 4.03Å; V142-I146 WeakPolarHBondContact O-CG1 3.26Å; V142-I146 PolarHBondContact O-N 3.44Å
143	Y	35	Very low	32.6	Very low	104 Å²	104	108.8 Å²	108.8	41%	0.408	57%	0.569	S	S	.	*	H	α-helix	trans	-61.7	-44.4	174.3	-173.2	-91.6	0	0	0	111.7	L139 F140 M145 I146 E147	L139-Y143 WeakPolarHBondContact O-CB 3.46Å; L139-Y143 PolarHBondContact O-N 3.23Å; F140-Y143 WeakPolarHBondContact O-CB 3.41Å; F140-Y143 PolarHBondContact O-N 2.99Å; Y143-M145 PolarHBondContact O-N 3.47Å; Y143-I146 PolarHBondContact O-N 2.95Å; Y143-I146 VanDerWaalsContact O-N 3.09Å; Y143-E147 WeakPolarHBondContact CE1-OE2 3.44Å; Y143-E147 PolarHBondContact O-N 2.93Å; Y143-E147 VanDerWaalsContact O-N 3.08Å; Y143-E147 PolarHBondContact OH-OE2 3.45Å
144	T	32.2	Very low	32.2	Very low	61 Å²	61	112.2 Å²	112.2	37%	0.374	58%	0.581	S	S	.	*	H	α-helix	trans	-67.5	-22	176.5	57.1	0	0	0	0	114.1	F140 Y141 E147	F140-T144 HydrophobicContact CD1-CG2 3.88Å; F140-T144 HydrophobicContact CE1-CG2 3.76Å; F140-T144 WeakPolarHBondContact O-CG2 3.31Å; F140-T144 PolarHBondContact O-N 3.3Å; F140-T144 PolarHBondContact O-OG1 3.39Å; Y141-T144 WeakPolarHBondContact CA-OG1 3.3Å; Y141-T144 PolarHBondContact O-N 3.5Å; Y141-T144 PolarHBondContact O-OG1 3.03Å; T144-E147 CarbonylContact O-C 3.58Å
145	M	31.2	Very low	31.8	Very low	127 Å²	127	109.9 Å²	109.9	63%	0.626	59%	0.586	S	S	*	*	H	α-helix	trans	-78	-23.2	173	-80.1	-79	160.3	0	0	112.8	Y141 V142 Y143	Y141-M145 HydrophobicContact CE1-CE 4.32Å; Y141-M145 HydrophobicContact CE1-CG 4.4Å; Y141-M145 WeakPolarHBondContact O-CG 3.38Å; Y141-M145 PolarHBondContact O-N 3.18Å; Y141-M145 VanDerWaalsContact O-N 3.13Å; V142-M145 PolarHBondContact O-N 3.05Å; Y143-M145 PolarHBondContact O-N 3.47Å
146	I	36.2	Very low	31	Very low	133 Å²	133	114 Å²	114	68%	0.682	60%	0.603	S	S	*	*	H	α-helix	trans	-91.6	-30.8	-179.5	-64.3	167.7	0	0	0	111.2	V142 Y143	V142-I146 HydrophobicContact CG1-CD1 4.03Å; V142-I146 WeakPolarHBondContact O-CG1 3.26Å; V142-I146 PolarHBondContact O-N 3.44Å; Y143-I146 PolarHBondContact O-N 2.95Å; Y143-I146 VanDerWaalsContact O-N 3.09Å
147	E	29	Very low	30.6	Very low	85 Å²	85	116.7 Å²	116.7	40%	0.397	62%	0.616	S	S	.	*			trans	-118.4	98.2	170.5	-80.8	-169.5	152.5	0	0	111.2	Y143 T144 N149 C150	Y143-E147 WeakPolarHBondContact CE1-OE2 3.44Å; Y143-E147 PolarHBondContact O-N 2.93Å; Y143-E147 VanDerWaalsContact O-N 3.08Å; Y143-E147 PolarHBondContact OH-OE2 3.45Å; T144-E147 CarbonylContact O-C 3.58Å; E147-N149 PolarHBondContact O-N 2.94Å; E147-C150 PolarHBondContact OE2-SG 2.9Å
148	P	34.7	Very low	30.2	Very low	110 Å²	110	120 Å²	120	71%	0.714	63%	0.628	S	S	*	*	S	Bend	trans	-74.6	-2	179.5	26.9	-31.2	0	0	0	114.6
149	N	27.2	Very low	29.6	Very low	149 Å²	149	120.5 Å²	120.5	80%	0.797	64%	0.64	S	S	*	*			trans	-133.6	55.7	-170.5	-75.8	-19.5	0	0	0	114.3	E147	E147-N149 PolarHBondContact O-N 2.94Å
150	C	26.7	Very low	29	Very low	82 Å²	82	125.8 Å²	125.8	55%	0.554	67%	0.669	S	S	*	*			trans	-111.8	66	166.1	-83.6	0	0	0	0	110.9	E147 V152	E147-C150 PolarHBondContact OE2-SG 2.9Å; C150-V152 PolarHBondContact O-N 2.91Å
151	C	24.3	Very low	28.5	Very low	119 Å²	119	130.7 Å²	130.7	80%	0.804	68%	0.683	S	S	*	*			trans	-86.9	88.3	156.5	-62.2	0	0	0	0	107.9	K153	C151-K153 PolarHBondContact O-N 3.05Å
152	V	26.3	Very low	28	Very low	124 Å²	124	132.4 Å²	132.4	75%	0.752	70%	0.696	S	S	*	*			trans	-68.7	95.5	169.9	178.5	0	0	0	0	107.8	C150 Q154	C150-V152 PolarHBondContact O-N 2.91Å; V152-Q154 HydrophobicContact CG1-CG 4.47Å; V152-Q154 PolarHBondContact O-N 3.4Å
153	K	23.5	Very low	27.4	Very low	200 Å²	200	136.1 Å²	136.1	87%	0.87	72%	0.724	S	S	*	*			trans	-78	95.4	166.6	-77.3	-178.6	179.7	174.4	0	108	C151 S155	C151-K153 PolarHBondContact O-N 3.05Å; K153-S155 PolarHBondContact O-N 2.86Å
154	Q	25.3	Very low	26.8	Very low	176 Å²	176	138.5 Å²	138.5	82%	0.822	74%	0.743	S	S	*	*			trans	-74.1	110.7	163.6	-99.9	-178.7	-14.6	0	0	108.8	V152 N156	V152-Q154 HydrophobicContact CG1-CG 4.47Å; V152-Q154 PolarHBondContact O-N 3.4Å; Q154-N156 PolarHBondContact O-N 3.3Å
155	S	23.7	Very low	26.4	Very low	118 Å²	118	141.4 Å²	141.4	83%	0.825	77%	0.765	S	S	*	*			trans	-70	102.8	159.3	56.6	0	0	0	0	107.7	K153	K153-S155 PolarHBondContact O-N 2.86Å
156	N	26	Very low	26	Very low	152 Å²	152	142.7 Å²	142.7	81%	0.813	77%	0.773	S	S	*	*			trans	-132.8	128.6	154.6	-134.1	-2.8	0	0	0	110.8	Q154 N158	Q154-N156 PolarHBondContact O-N 3.3Å; N156-N158 PolarHBondContact O-N 3.4Å; N156-N158 VanDerWaalsContact O-N 3.07Å
157	V	30.2	Very low	25.5	Very low	128 Å²	128	141.9 Å²	141.9	78%	0.776	78%	0.777	S	S	*	*			trans	-64.8	101.3	-176.9	176.7	0	0	0	0	107.7
158	N	25.3	Very low	25.3	Very low	149 Å²	149	142.6 Å²	142.6	80%	0.797	79%	0.791	S	S	*	*			trans	-175.4	130.2	136.7	-89.5	-24.7	0	0	0	111.2	N156 N160	N156-N158 PolarHBondContact O-N 3.4Å; N156-N158 VanDerWaalsContact O-N 3.07Å; N158-N160 PolarHBondContact O-N 3.18Å
159	N	25.5	Very low	24.7	Very low	142 Å²	142	144.2 Å²	144.2	76%	0.759	79%	0.793	S	S	*	*			trans	-54.5	115.6	177.9	-62.6	-36.2	0	0	0	110.9
160	N	25.6	Very low	24.6	Very low	157 Å²	157	144.3 Å²	144.3	84%	0.84	79%	0.793	S	S	*	*			trans	-172	111.1	132.2	-88.5	-22	0	0	0	109.3	N158 Q162	N158-N160 PolarHBondContact O-N 3.18Å; N160-Q162 PolarHBondContact O-N 3.41Å
161	W	21.9	Very low	24.3	Very low	245 Å²	245	148.4 Å²	148.4	93%	0.928	80%	0.804	S	S	*	*			trans	-76.6	102.4	-178.5	-65.2	17.8	0	0	0	109.3
162	Q	23.5	Very low	24.4	Very low	177 Å²	177	150.8 Å²	150.8	83%	0.827	81%	0.807	S	S	*	*			trans	-136.4	109.7	153.5	-72.8	-169	-19	0	0	109.1	N160 L164	N160-Q162 PolarHBondContact O-N 3.41Å; Q162-L164 PolarHBondContact O-N 2.87Å
163	S	22.6	Very low	24.2	Very low	120 Å²	120	150.3 Å²	150.3	84%	0.839	80%	0.804	S	S	*	*			trans	-63.9	97.4	170.4	53.2	0	0	0	0	109.5
164	L	22	Very low	24.3	Very low	155 Å²	155	145 Å²	145	81%	0.812	79%	0.792	S	S	*	*			trans	-141.3	119.1	158.4	-96.8	113.1	0	0	0	109.8	Q162	Q162-L164 PolarHBondContact O-N 2.87Å
165	C	23.5	Very low	24.4	Very low	122 Å²	122	141.3 Å²	141.3	82%	0.824	79%	0.786	S	S	*	*			trans	-55.5	149.9	166.3	-53.5	0	0	0	0	110.4
166	L	22.4	Very low	24.5	Very low	154 Å²	154	143.4 Å²	143.4	81%	0.806	79%	0.788	S	S	*	*			trans	78.3	110	-170.5	-82.3	88.1	0	0	0	116.2	S168	L166-S168 PolarHBondContact O-N 3.26Å
167	P	26	Very low	24.9	Very low	116 Å²	116	144.6 Å²	144.6	75%	0.753	79%	0.789	S	S	*	*			trans	-92.3	88.3	155.4	33.8	-23.6	0	0	0	109.2	N169	P167-N169 PolarHBondContact O-N 2.92Å
168	S	25.2	Very low	24.9	Very low	99 Å²	99	145.3 Å²	145.3	69%	0.692	79%	0.788	S	S	*	*			trans	-80.8	77.8	148.2	59	0	0	0	0	107	L166	L166-S168 PolarHBondContact O-N 3.26Å
169	N	21.7	Very low	25	Very low	144 Å²	144	145.2 Å²	145.2	77%	0.77	79%	0.788	S	S	*	*			trans	170.5	85.3	162.4	-88.3	-21	0	0	0	109.5	P167 Q171	P167-N169 PolarHBondContact O-N 2.92Å; N169-Q171 PolarHBondContact O-N 3.16Å
170	I	25.5	Very low	25.2	Very low	152 Å²	152	144.6 Å²	144.6	78%	0.779	78%	0.783	S	S	*	*			trans	-85.7	97.9	158.6	-66.9	171.1	0	0	0	106.3	L172	I170-L172 HydrophobicContact CG2-CD1 4.22Å; I170-L172 PolarHBondContact O-N 3.49Å
171	Q	21.1	Very low	25.4	Very low	168 Å²	168	143.1 Å²	143.1	79%	0.785	78%	0.779	S	S	*	*			trans	-69	103.5	163.1	-79.7	170.2	-45.1	0	0	108.2	N169 V173	N169-Q171 PolarHBondContact O-N 3.16Å; Q171-V173 HydrophobicContact CB-CG2 4.43Å; Q171-V173 PolarHBondContact O-N 3.26Å
172	L	25.8	Very low	25.7	Very low	168 Å²	168	138.7 Å²	138.7	88%	0.88	77%	0.769	S	S	*	*			trans	-89.7	92.1	160.5	-132.8	94.8	0	0	0	108	I170	I170-L172 HydrophobicContact CG2-CD1 4.22Å; I170-L172 PolarHBondContact O-N 3.49Å
173	V	22.6	Very low	25.8	Very low	114 Å²	114	135.8 Å²	135.8	69%	0.691	76%	0.759	S	S	*	*			trans	-73.9	120.2	173.9	164.6	0	0	0	0	109.6	Q171	Q171-V173 HydrophobicContact CB-CG2 4.43Å; Q171-V173 PolarHBondContact O-N 3.26Å
174	S	24.7	Very low	26.1	Very low	88 Å²	88	136.1 Å²	136.1	62%	0.615	75%	0.75	S	S	*	*			trans	32.7	130	145.1	72.7	0	0	0	0	122.2
175	S	27	Very low	26.3	Very low	100 Å²	100	133.2 Å²	133.2	70%	0.699	74%	0.739	S	S	*	*			trans	68.4	91.3	133.8	67.8	0	0	0	0	118.3
176	N	26	Very low	26.6	Very low	162 Å²	162	132.1 Å²	132.1	87%	0.866	72%	0.724	S	S	*	*				-153.1	108.7	115.4	-105	-12.5	0	0	0	109.2	N178	N176-N178 PolarHBondContact O-N 2.96Å; N176-N178 VanDerWaalsContact O-N 3.15Å
177	E	34.5	Very low	27	Very low	176 Å²	176	129.8 Å²	129.8	82%	0.822	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	112.2	165.7	-67.6	178.4	156	0	0	107.3
178	N	30.8	Very low	27.5	Very low	143 Å²	143	127.3 Å²	127.3	77%	0.765	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	166.6	7	136.9	-79.2	-18.6	0	0	0	117.3	N176	N176-N178 PolarHBondContact O-N 2.96Å; N176-N178 VanDerWaalsContact O-N 3.15Å
179	N	27	Very low	27.9	Very low	148 Å²	148	129.7 Å²	129.7	79%	0.791	70%	0.701	S	S	*	*			trans	-122.7	72.5	173.3	-79.1	-12.1	0	0	0	112.5
180	I	30.7	Very low	28.5	Very low	129 Å²	129	128.5 Å²	128.5	66%	0.662	69%	0.691	S	S	*	*			trans	-91	-0.8	-176.3	-67.1	172.5	0	0	0	113.6	I184	I180-I184 HydrophobicContact CG2-CD1 4.41Å
181	V	29.3	Very low	29.2	Very low	125 Å²	125	124 Å²	124	76%	0.758	68%	0.677	S	S	*	*	S	Bend	trans	-90.3	-15	-171.4	-175.6	0	0	0	0	114.8
182	H	27.3	Very low	30	Very low	153 Å²	153	122.7 Å²	122.7	71%	0.708	67%	0.665	S	S	*	*	S	Bend	trans	-106.9	-9	-176.6	-78.7	-59.6	0	0	0	116.9	T185	H182-T185 PolarHBondContact O-OG1 3.49Å
183	D	26.1	Very low	30.6	Very low	116 Å²	116	122.8 Å²	122.8	62%	0.62	65%	0.654	S	S	*	*	S	Bend	trans	-93.5	-11.5	-176.9	-73.7	-19.6	0	0	0	114.6
184	I	29.1	Very low	31.4	Very low	127 Å²	127	125.4 Å²	125.4	65%	0.651	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-19.9	-176.9	-61.3	172.2	0	0	0	112.2	I180	I180-I184 HydrophobicContact CG2-CD1 4.41Å
185	T	26.1	Very low	32.1	Very low	93 Å²	93	125.9 Å²	125.9	57%	0.571	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-31	-178.6	45.6	0	0	0	0	113.4	H182 V187 S188	H182-T185 PolarHBondContact O-OG1 3.49Å; T185-V187 PolarHBondContact O-N 3.14Å; T185-S188 PolarHBondContact O-N 2.84Å; T185-S188 PolarHBondContact O-OG 3.26Å
186	I	29.4	Very low	32.9	Very low	100 Å²	100	126 Å²	126	51%	0.513	64%	0.641	S	S	.	*	H	α-helix	trans	-71.8	-33.2	-173.4	-58.3	171.5	0	0	0	112	S188	I186-S188 PolarHBondContact O-N 2.92Å
187	V	31.3	Very low	34	Very low	105 Å²	105	121.8 Å²	121.8	64%	0.636	62%	0.617	S	S	*	*	H	α-helix	trans	-69.8	-21.7	-178.9	-176.9	0	0	0	0	112.4	T185	T185-V187 PolarHBondContact O-N 3.14Å
188	S	35.6	Very low	34.8	Very low	63 Å²	63	117.3 Å²	117.3	44%	0.441	60%	0.599	S	S	.	*	H	α-helix	trans	-76.7	-36.7	-177.2	71.6	0	0	0	0	113.3	T185 I186 Y192	T185-S188 PolarHBondContact O-N 2.84Å; T185-S188 PolarHBondContact O-OG 3.26Å; I186-S188 PolarHBondContact O-N 2.92Å; S188-Y192 WeakPolarHBondContact O-CD2 3.43Å; S188-Y192 PolarHBondContact O-N 3.3Å
189	E	34.2	Very low	35.7	Very low	149 Å²	149	113.9 Å²	113.9	70%	0.696	58%	0.58	S	S	*	*	H	α-helix	trans	-69.4	-34.9	-179.6	-82.2	-171	150.3	0	0	113.2	R193	E189-R193 PolarHBondContact O-N 3.13Å
190	E	34.7	Very low	37.1	Very low	120 Å²	120	109 Å²	109	56%	0.561	56%	0.555	S	S	*	*	H	α-helix	trans	-68.2	-44.4	-179.9	-66.2	-173.5	170.1	0	0	111.5	Y192 R193 Y194	E190-Y192 VanDerWaalsContact C-N 3.34Å; E190-Y192 PolarHBondContact O-N 2.98Å; E190-R193 PolarHBondContact O-N 3.46Å; E190-Y194 WeakPolarHBondContact O-CD2 3.47Å; E190-Y194 PolarHBondContact O-N 3.36Å
191	A	39.1	Very low	38.2	Very low	58 Å²	58	104.8 Å²	104.8	48%	0.479	54%	0.537	S	S	.	.	H	α-helix	trans	-62.6	-37.4	178.4	0	0	0	0	0	112.9	Y194 D195	A191-Y194 PolarHBondContact O-N 2.93Å; A191-D195 PolarHBondContact O-N 3.33Å
192	Y	37.7	Very low	39.6	Very low	139 Å²	139	101.4 Å²	101.4	55%	0.545	52%	0.519	S	S	.	.	H	α-helix	trans	-65.6	-35.7	175.8	-95.2	-84.8	0	0	0	112.9	L33 S188 E190 L196	L33-Y192 HydrophobicContact CD1-CE1 4Å; L33-Y192 HydrophobicContact CD2-CE1 4.12Å; S188-Y192 WeakPolarHBondContact O-CD2 3.43Å; S188-Y192 PolarHBondContact O-N 3.3Å; E190-Y192 VanDerWaalsContact C-N 3.34Å; E190-Y192 PolarHBondContact O-N 2.98Å; Y192-L196 WeakPolarHBondContact O-CB 3.42Å; Y192-L196 PolarHBondContact O-N 2.97Å
193	R	38.5	Very low	41	Very low	171 Å²	171	98.2 Å²	98.2	65%	0.645	50%	0.501	S	S	*	.	H	α-helix	trans	-66.7	-40.8	176.3	-79.2	179.4	69.2	168.1	-1.5	111.7	E189 E190 I197	E189-R193 PolarHBondContact O-N 3.13Å; E190-R193 PolarHBondContact O-N 3.46Å; R193-I197 WeakPolarHBondContact O-CB 3.18Å; R193-I197 WeakPolarHBondContact O-CD1 3.3Å; R193-I197 WeakPolarHBondContact O-CG1 3.46Å; R193-I197 PolarHBondContact O-N 3.41Å
194	Y	41.3	Very low	42.7	Very low	169 Å²	169	93.7 Å²	93.7	66%	0.663	48%	0.482	S	S	*	.	H	α-helix	trans	-66	-45.8	179.3	-73.5	-70.9	0	0	0	112.7	E190 A191 L196 I197 L198	E190-Y194 WeakPolarHBondContact O-CD2 3.47Å; E190-Y194 PolarHBondContact O-N 3.36Å; A191-Y194 PolarHBondContact O-N 2.93Å; Y194-L196 PolarHBondContact O-N 3.45Å; Y194-I197 PolarHBondContact O-N 3.49Å; Y194-L198 WeakPolarHBondContact O-CB 3.11Å; Y194-L198 PolarHBondContact O-N 3.14Å
195	D	38.5	Very low	44.1	Very low	97 Å²	97	91.3 Å²	91.3	52%	0.519	47%	0.47	S	S	.	.	H	α-helix	trans	-63.9	-39.7	-179.8	-89.6	-1.9	0	0	0	111.7	K90 A191 L199	K90-D195 IonicContact NZ-OD2 3.7Å; A191-D195 PolarHBondContact O-N 3.33Å; D195-L199 PolarHBondContact O-N 3.37Å; D195-L199 VanDerWaalsContact O-N 3.16Å
196	L	44.7	Very low	45.9	Very low	103 Å²	103	88.9 Å²	88.9	54%	0.539	45%	0.454	S	S	.	.	H	α-helix	trans	-69.2	-42.9	177.2	-170.8	66.8	0	0	0	111.8	Y192 Y194 L199 T200	Y192-L196 WeakPolarHBondContact O-CB 3.42Å; Y192-L196 PolarHBondContact O-N 2.97Å; Y194-L196 PolarHBondContact O-N 3.45Å; L196-L199 PolarHBondContact O-N 3.44Å; L196-T200 WeakPolarHBondContact O-CB 3.43Å; L196-T200 PolarHBondContact O-N 3.48Å; L196-T200 PolarHBondContact O-OG1 3.48Å
197	I	49	Very low	47.4	Very low	73 Å²	73	85.5 Å²	85.5	37%	0.374	44%	0.439	S	S	.	.	H	α-helix	trans	-62.2	-45.2	177.5	-70.6	165.3	0	0	0	110.4	R193 Y194 L199 T200 C201	R193-I197 WeakPolarHBondContact O-CB 3.18Å; R193-I197 WeakPolarHBondContact O-CD1 3.3Å; R193-I197 WeakPolarHBondContact O-CG1 3.46Å; R193-I197 PolarHBondContact O-N 3.41Å; Y194-I197 PolarHBondContact O-N 3.49Å; I197-L199 VanDerWaalsContact C-N 3.34Å; I197-L199 PolarHBondContact O-N 3.28Å; I197-T200 PolarHBondContact O-N 2.95Å; I197-C201 VanDerWaalsContact O-CB 3.26Å; I197-C201 WeakPolarHBondContact O-CB 3.28Å; I197-C201 PolarHBondContact O-N 3.27Å; I197-C201 PolarHBondContact O-SG 2.85Å
198	L	49.9	Very low	48.9	Very low	83 Å²	83	85.4 Å²	85.4	44%	0.435	43%	0.434	S	S	.	.	H	α-helix	trans	-60.8	-43.1	179.4	-172.8	66	0	0	0	111.9	L139 Y194 S202	L139-L198 HydrophobicContact CD1-CD1 3.57Å; Y194-L198 WeakPolarHBondContact O-CB 3.11Å; Y194-L198 PolarHBondContact O-N 3.14Å; L198-S202 WeakPolarHBondContact O-CB 3.3Å; L198-S202 PolarHBondContact O-N 2.88Å; L198-S202 PolarHBondContact O-OG 3.42Å
199	L	51.2	Low	50.1	Low	70 Å²	70	87 Å²	87	37%	0.366	43%	0.43	S	S	.	.	H	α-helix	trans	-65.8	-45.5	176.5	-167.2	66.2	0	0	0	111.2	D195 L196 I197 C201 S202 Y203	D195-L199 PolarHBondContact O-N 3.37Å; D195-L199 VanDerWaalsContact O-N 3.16Å; L196-L199 PolarHBondContact O-N 3.44Å; I197-L199 VanDerWaalsContact C-N 3.34Å; I197-L199 PolarHBondContact O-N 3.28Å; L199-C201 PolarHBondContact O-N 3.22Å; L199-S202 PolarHBondContact O-N 3.21Å; L199-S202 PolarHBondContact O-OG 3.15Å; L199-Y203 HydrophobicContact CD1-CD2 4.18Å; L199-Y203 HydrophobicContact CD1-CE2 3.56Å; L199-Y203 HydrophobicContact CD2-CE2 4.36Å; L199-Y203 HydrophobicContact CG-CD2 4.01Å; L199-Y203 HydrophobicContact CG-CE2 3.7Å; L199-Y203 WeakPolarHBondContact O-CD2 3.26Å; L199-Y203 PolarHBondContact O-N 2.9Å; L199-Y203 VanDerWaalsContact O-N 3.16Å
200	T	55.2	Low	51.5	Low	45 Å²	45	82.6 Å²	82.6	28%	0.276	41%	0.411	S	S	.	.	H	α-helix	trans	-65.4	-40.4	-179.7	-38.9	0	0	0	0	111.6	L196 I197 Y203 G204	L196-T200 WeakPolarHBondContact O-CB 3.43Å; L196-T200 PolarHBondContact O-N 3.48Å; L196-T200 PolarHBondContact O-OG1 3.48Å; I197-T200 PolarHBondContact O-N 2.95Å; T200-Y203 PolarHBondContact O-N 3.32Å; T200-G204 PolarHBondContact O-N 3.15Å
201	C	55.2	Low	53	Low	42 Å²	42	81.3 Å²	81.3	28%	0.284	41%	0.408	S	S	.	.	H	α-helix	trans	-65.5	-41.5	176.2	-74	0	0	0	0	112.2	L139 I197 L199 G204 L205	L139-C201 HydrophobicContact CD2-CB 3.85Å; I197-C201 VanDerWaalsContact O-CB 3.26Å; I197-C201 WeakPolarHBondContact O-CB 3.28Å; I197-C201 PolarHBondContact O-N 3.27Å; I197-C201 PolarHBondContact O-SG 2.85Å; L199-C201 PolarHBondContact O-N 3.22Å; C201-G204 PolarHBondContact O-N 3.01Å; C201-L205 WeakPolarHBondContact O-CB 3.46Å; C201-L205 WeakPolarHBondContact O-CG 3.36Å; C201-L205 PolarHBondContact O-N 3.04Å
202	S	57.3	Low	54.3	Low	53 Å²	53	83.3 Å²	83.3	37%	0.371	41%	0.41	S	S	.	.	H	α-helix	trans	-64.2	-40	177.5	64.2	0	0	0	0	112.7	L198 L199 L206	L198-S202 WeakPolarHBondContact O-CB 3.3Å; L198-S202 PolarHBondContact O-N 2.88Å; L198-S202 PolarHBondContact O-OG 3.42Å; L199-S202 PolarHBondContact O-N 3.21Å; L199-S202 PolarHBondContact O-OG 3.15Å; S202-L206 PolarHBondContact O-N 3.39Å
203	Y	57.1	Low	55.7	Low	86 Å²	86	78.4 Å²	78.4	34%	0.337	39%	0.393	S	S	.	.	H	α-helix	trans	-71.5	-35.1	173.5	-75.6	-66.9	0	0	0	113.1	L199 T200 L206 C207	L199-Y203 HydrophobicContact CD1-CD2 4.18Å; L199-Y203 HydrophobicContact CD1-CE2 3.56Å; L199-Y203 HydrophobicContact CD2-CE2 4.36Å; L199-Y203 HydrophobicContact CG-CD2 4.01Å; L199-Y203 HydrophobicContact CG-CE2 3.7Å; L199-Y203 WeakPolarHBondContact O-CD2 3.26Å; L199-Y203 PolarHBondContact O-N 2.9Å; L199-Y203 VanDerWaalsContact O-N 3.16Å; T200-Y203 PolarHBondContact O-N 3.32Å; Y203-L206 WeakPolarHBondContact O-CB 3.48Å; Y203-L206 PolarHBondContact O-N 3.16Å; Y203-C207 PolarHBondContact O-N 3.35Å; Y203-C207 PolarHBondContact O-SG 3.36Å
204	G	61.1	Low	57.1	Low	22 Å²	22	73.9 Å²	73.9	23%	0.227	38%	0.381	C	S	.	.	H	α-helix	trans	-60.3	-46.9	172.5	0	0	0	0	0	111.6	T200 C201 L206 C207 I208	T200-G204 PolarHBondContact O-N 3.15Å; C201-G204 PolarHBondContact O-N 3.01Å; G204-L206 PolarHBondContact O-N 2.87Å; G204-C207 PolarHBondContact O-N 3.02Å; G204-I208 VanDerWaalsContact O-CG1 3.31Å; G204-I208 WeakPolarHBondContact O-CG1 3.2Å; G204-I208 PolarHBondContact O-N 3.27Å
205	L	60	Low	58.4	Low	76 Å²	76	71.9 Å²	71.9	40%	0.398	37%	0.373	S	S	.	.	H	α-helix	trans	-59.8	-43	173.8	-82.7	166.9	0	0	0	112.5	W138 C201 C207 I208 Y209	W138-L205 HydrophobicContact CH2-CD2 3.57Å; W138-L205 HydrophobicContact CH2-CG 4.44Å; W138-L205 HydrophobicContact CZ3-CD1 3.9Å; W138-L205 HydrophobicContact CZ3-CD2 3.7Å; W138-L205 HydrophobicContact CZ3-CG 4.15Å; C201-L205 WeakPolarHBondContact O-CB 3.46Å; C201-L205 WeakPolarHBondContact O-CG 3.36Å; C201-L205 PolarHBondContact O-N 3.04Å; L205-C207 VanDerWaalsContact C-N 3.35Å; L205-C207 PolarHBondContact O-N 3.21Å; L205-I208 PolarHBondContact O-N 3.43Å; L205-Y209 WeakPolarHBondContact O-CB 3.31Å; L205-Y209 PolarHBondContact O-N 3.49Å
206	L	62.6	Low	59.7	Low	42 Å²	42	70.7 Å²	70.7	22%	0.22	37%	0.372	C	S	.	.	H	α-helix	trans	-58.9	-46.4	174.7	-172.6	90.7	0	0	0	111.2	V79 S202 Y203 G204 Y209 I210	V79-L206 HydrophobicContact CG1-CD1 3.5Å; V79-L206 VanDerWaalsContact CG1-CD1 3.5Å; S202-L206 PolarHBondContact O-N 3.39Å; Y203-L206 WeakPolarHBondContact O-CB 3.48Å; Y203-L206 PolarHBondContact O-N 3.16Å; G204-L206 PolarHBondContact O-N 2.87Å; L206-Y209 PolarHBondContact O-N 2.89Å; L206-I210 HydrophobicContact CD2-CD1 4.1Å; L206-I210 HydrophobicContact CG-CD1 3.95Å; L206-I210 VanDerWaalsContact O-CG1 3.27Å; L206-I210 WeakPolarHBondContact O-CG1 3.17Å; L206-I210 PolarHBondContact O-N 3.39Å
207	C	60.9	Low	60.9	Low	30 Å²	30	68.1 Å²	68.1	20%	0.203	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-44	178.5	-69.8	0	0	0	0	111.6	Y203 G204 L205 Y209 I210 L211	Y203-C207 PolarHBondContact O-N 3.35Å; Y203-C207 PolarHBondContact O-SG 3.36Å; G204-C207 PolarHBondContact O-N 3.02Å; L205-C207 VanDerWaalsContact C-N 3.35Å; L205-C207 PolarHBondContact O-N 3.21Å; C207-Y209 VanDerWaalsContact C-N 3.33Å; C207-I210 PolarHBondContact O-N 3.1Å; C207-L211 WeakPolarHBondContact O-CB 3.32Å; C207-L211 VanDerWaalsContact O-CG 3.27Å; C207-L211 WeakPolarHBondContact O-CG 3.41Å; C207-L211 PolarHBondContact O-N 3.12Å
208	I	63.4	Low	62.1	Low	103 Å²	103	66.4 Å²	66.4	53%	0.528	35%	0.353	S	S	.	.	H	α-helix	trans	-61.7	-43.9	176.5	-68.4	165.5	0	0	0	110.4	G204 L205 L211 L212	G204-I208 VanDerWaalsContact O-CG1 3.31Å; G204-I208 WeakPolarHBondContact O-CG1 3.2Å; G204-I208 PolarHBondContact O-N 3.27Å; L205-I208 PolarHBondContact O-N 3.43Å; I208-L211 PolarHBondContact O-N 3.14Å; I208-L212 WeakPolarHBondContact O-CB 3.44Å; I208-L212 PolarHBondContact O-N 2.96Å
209	Y	59.8	Low	63.2	Low	95 Å²	95	66.4 Å²	66.4	37%	0.373	35%	0.352	S	S	.	.	H	α-helix	trans	-65.4	-42.2	179.6	-168.4	-97.5	0	0	0	112.1	V79 L205 L206 C207 L211 L212 L213	V79-Y209 HydrophobicContact CG2-CD1 4.31Å; V79-Y209 HydrophobicContact CG2-CE1 4.08Å; L205-Y209 WeakPolarHBondContact O-CB 3.31Å; L205-Y209 PolarHBondContact O-N 3.49Å; L206-Y209 PolarHBondContact O-N 2.89Å; C207-Y209 VanDerWaalsContact C-N 3.33Å; Y209-L211 VanDerWaalsContact C-N 3.34Å; Y209-L211 PolarHBondContact O-N 2.89Å; Y209-L212 PolarHBondContact O-N 3.17Å; Y209-L213 HydrophobicContact CE1-CD1 3.91Å; Y209-L213 WeakPolarHBondContact O-CB 3.33Å; Y209-L213 PolarHBondContact O-N 3.31Å
210	I	65.3	Low	64.5	Low	57 Å²	57	66.6 Å²	66.6	29%	0.292	36%	0.356	S	S	.	.	H	α-helix	trans	-61.8	-42.8	174.4	-68.9	167	0	0	0	110.7	Y76 L206 C207 L213 L214	Y76-I210 HydrophobicContact CE2-CD1 4.45Å; L206-I210 HydrophobicContact CD2-CD1 4.1Å; L206-I210 HydrophobicContact CG-CD1 3.95Å; L206-I210 VanDerWaalsContact O-CG1 3.27Å; L206-I210 WeakPolarHBondContact O-CG1 3.17Å; L206-I210 PolarHBondContact O-N 3.39Å; C207-I210 PolarHBondContact O-N 3.1Å; I210-L213 PolarHBondContact O-N 3.07Å; I210-L214 HydrophobicContact CG2-CD1 4.03Å; I210-L214 WeakPolarHBondContact O-CB 3.4Å; I210-L214 WeakPolarHBondContact O-CG 3.16Å; I210-L214 PolarHBondContact O-N 2.78Å
211	L	65.9	Low	65.6	Low	94 Å²	94	67.1 Å²	67.1	49%	0.492	36%	0.358	S	S	.	.	H	α-helix	trans	-64.1	-42.6	176.3	-73.2	170.8	0	0	0	112.1	C207 I208 Y209 L213 L214 Y215	C207-L211 WeakPolarHBondContact O-CB 3.32Å; C207-L211 VanDerWaalsContact O-CG 3.27Å; C207-L211 WeakPolarHBondContact O-CG 3.41Å; C207-L211 PolarHBondContact O-N 3.12Å; I208-L211 PolarHBondContact O-N 3.14Å; Y209-L211 VanDerWaalsContact C-N 3.34Å; Y209-L211 PolarHBondContact O-N 2.89Å; L211-L213 VanDerWaalsContact C-N 3.29Å; L211-L213 PolarHBondContact O-N 3.06Å; L211-L214 PolarHBondContact O-N 3.32Å; L211-Y215 WeakPolarHBondContact O-CB 3.33Å; L211-Y215 PolarHBondContact O-N 3.3Å
212	L	65.2	Low	66.5	Low	100 Å²	100	68.5 Å²	68.5	52%	0.524	36%	0.361	S	S	.	.	H	α-helix	trans	-61.7	-40.1	175.7	-166.8	99.9	0	0	0	111	I208 Y209 Y215 C216	I208-L212 WeakPolarHBondContact O-CB 3.44Å; I208-L212 PolarHBondContact O-N 2.96Å; Y209-L212 PolarHBondContact O-N 3.17Å; L212-Y215 WeakPolarHBondContact O-CB 3.4Å; L212-Y215 PolarHBondContact O-N 3.26Å; L212-C216 PolarHBondContact O-N 3.11Å; L212-C216 PolarHBondContact O-SG 3.39Å
213	L	67.4	Low	67.5	Low	35 Å²	35	72.4 Å²	72.4	18%	0.183	37%	0.369	C	S	.	.	H	α-helix	trans	-71.6	-40.8	-179.8	-154.9	148.9	0	0	0	111.5	I72 L75 Y209 I210 L211 Y215 C216 L217	I72-L213 HydrophobicContact CG1-CD2 3.74Å; L75-L213 HydrophobicContact CD1-CD1 4.18Å; Y209-L213 HydrophobicContact CE1-CD1 3.91Å; Y209-L213 WeakPolarHBondContact O-CB 3.33Å; Y209-L213 PolarHBondContact O-N 3.31Å; I210-L213 PolarHBondContact O-N 3.07Å; L211-L213 VanDerWaalsContact C-N 3.29Å; L211-L213 PolarHBondContact O-N 3.06Å; L213-Y215 VanDerWaalsContact C-N 3.3Å; L213-Y215 PolarHBondContact O-N 3.33Å; L213-C216 PolarHBondContact O-N 3.3Å; L213-L217 HydrophobicContact CD2-CD1 3.7Å; L213-L217 HydrophobicContact CD2-CG 4.23Å; L213-L217 VanDerWaalsContact O-CG 3.3Å; L213-L217 WeakPolarHBondContact O-CG 3.27Å; L213-L217 PolarHBondContact O-N 2.91Å
214	L	68.6	Low	68.6	Low	76 Å²	76	74.9 Å²	74.9	40%	0.398	38%	0.384	S	S	.	.	H	α-helix	trans	-58.4	-43.3	169.7	-75.9	167.6	0	0	0	111.1	M55 I210 L211 L217 S218	M55-L214 HydrophobicContact SD-CD2 4.25Å; I210-L214 HydrophobicContact CG2-CD1 4.03Å; I210-L214 WeakPolarHBondContact O-CB 3.4Å; I210-L214 WeakPolarHBondContact O-CG 3.16Å; I210-L214 PolarHBondContact O-N 2.78Å; L211-L214 PolarHBondContact O-N 3.32Å; L214-L217 PolarHBondContact O-N 2.86Å; L214-S218 PolarHBondContact O-N 3.41Å; L214-S218 PolarHBondContact O-OG 2.87Å
215	Y	67.4	Low	69.6	Low	128 Å²	128	79.9 Å²	79.9	50%	0.502	40%	0.403	S	S	.	.	H	α-helix	trans	-61.7	-45.9	175.4	178.4	-95.9	0	0	0	112.3	L211 L212 L213 L217 S218 I219 I222	L211-Y215 WeakPolarHBondContact O-CB 3.33Å; L211-Y215 PolarHBondContact O-N 3.3Å; L212-Y215 WeakPolarHBondContact O-CB 3.4Å; L212-Y215 PolarHBondContact O-N 3.26Å; L213-Y215 VanDerWaalsContact C-N 3.3Å; L213-Y215 PolarHBondContact O-N 3.33Å; Y215-L217 PolarHBondContact O-N 2.86Å; Y215-S218 CarbonylContact O-C 3.53Å; Y215-S218 PolarHBondContact O-N 3.42Å; Y215-S218 PolarHBondContact O-OG 3.1Å; Y215-I219 HydrophobicContact CE1-CD1 4.28Å; Y215-I219 PolarHBondContact O-N 3.32Å; Y215-I222 HydrophobicContact CD2-CD1 3.8Å; Y215-I222 HydrophobicContact CE2-CD1 3.88Å
216	C	67.1	Low	70.5	Confident	72 Å²	72	82 Å²	82	49%	0.486	41%	0.409	S	S	.	.	H	α-helix	trans	-60.7	-34.4	175.4	-71.7	0	0	0	0	112.5	L212 L213 I219	L212-C216 PolarHBondContact O-N 3.11Å; L212-C216 PolarHBondContact O-SG 3.39Å; L213-C216 PolarHBondContact O-N 3.3Å; C216-I219 VanDerWaalsContact O-CG2 3.28Å; C216-I219 WeakPolarHBondContact O-CG2 3.49Å
217	L	70	Confident	71.6	Confident	48 Å²	48	83.4 Å²	83.4	25%	0.251	42%	0.415	S	S	.	.	H	α-helix	trans	-75.1	-36.1	177.8	-71.4	167.5	0	0	0	112.7	M55 K68 I72 L213 L214 Y215	M55-L217 HydrophobicContact CE-CD1 4.34Å; K68-L217 HydrophobicContact CB-CD2 4.24Å; K68-L217 HydrophobicContact CD-CD2 3.99Å; K68-L217 HydrophobicContact CG-CD2 4.38Å; I72-L217 HydrophobicContact CD1-CD1 3.52Å; I72-L217 HydrophobicContact CD1-CD2 4.23Å; I72-L217 HydrophobicContact CG1-CD1 4.1Å; L213-L217 HydrophobicContact CD2-CD1 3.7Å; L213-L217 HydrophobicContact CD2-CG 4.23Å; L213-L217 VanDerWaalsContact O-CG 3.3Å; L213-L217 WeakPolarHBondContact O-CG 3.27Å; L213-L217 PolarHBondContact O-N 2.91Å; L214-L217 PolarHBondContact O-N 2.86Å; Y215-L217 PolarHBondContact O-N 2.86Å
218	S	73.7	Confident	72.8	Confident	37 Å²	37	84.9 Å²	84.9	26%	0.259	43%	0.426	S	S	.	.	H	α-helix	trans	-88.9	-0.6	178.7	61.5	0	0	0	0	113.8	L214 Y215 T220 D221 I222	L214-S218 PolarHBondContact O-N 3.41Å; L214-S218 PolarHBondContact O-OG 2.87Å; Y215-S218 CarbonylContact O-C 3.53Å; Y215-S218 PolarHBondContact O-N 3.42Å; Y215-S218 PolarHBondContact O-OG 3.1Å; S218-T220 PolarHBondContact O-N 2.86Å; S218-T220 VanDerWaalsContact O-N 3.11Å; S218-D221 PolarHBondContact O-N 2.73Å; S218-I222 VanDerWaalsContact O-CG1 3.32Å; S218-I222 WeakPolarHBondContact O-CG1 3.36Å; S218-I222 PolarHBondContact O-N 3.32Å; S218-I222 VanDerWaalsContact OG-CD1 3.23Å; S218-I222 WeakPolarHBondContact OG-CD1 3.35Å
219	I	73.7	Confident	73.8	Confident	83 Å²	83	83 Å²	83	43%	0.426	42%	0.421	S	S	.	.	H	α-helix	trans	-56.1	-34.2	-174	-158.2	166	0	0	0	113.1	Y215 C216 Y223	Y215-I219 HydrophobicContact CE1-CD1 4.28Å; Y215-I219 PolarHBondContact O-N 3.32Å; C216-I219 VanDerWaalsContact O-CG2 3.28Å; C216-I219 WeakPolarHBondContact O-CG2 3.49Å; I219-Y223 WeakPolarHBondContact O-CB 3.19Å; I219-Y223 PolarHBondContact O-N 3.26Å
220	T	77.1	Confident	74.8	Confident	74 Å²	74	81.1 Å²	81.1	45%	0.454	42%	0.417	S	S	.	.	H	α-helix	trans	-68.7	-46.3	177.4	50.5	0	0	0	0	111.7	S218 I222 Y223 E224	S218-T220 PolarHBondContact O-N 2.86Å; S218-T220 VanDerWaalsContact O-N 3.11Å; T220-I222 VanDerWaalsContact C-N 3.34Å; T220-Y223 PolarHBondContact O-N 3.49Å; T220-E224 PolarHBondContact O-N 3.12Å
221	D	78.5	Confident	75.8	Confident	57 Å²	57	83.4 Å²	83.4	31%	0.305	43%	0.43	S	S	.	.	H	α-helix	trans	-66.9	-40.1	178.7	-53.1	-23.2	0	0	0	110.4	R62 S218 Y223 E224 M225	R62-D221 IonicContact CZ-OD2 3.64Å; R62-D221 IonicContact NH1-OD2 3.77Å; R62-D221 IonicContact NH2-OD1 3.56Å; R62-D221 IonicContact NH2-OD2 2.64Å; R62-D221 PolarHBondContact NH2-OD2 2.93Å; S218-D221 PolarHBondContact O-N 2.73Å; D221-Y223 VanDerWaalsContact C-N 3.31Å; D221-Y223 PolarHBondContact O-N 3.03Å; D221-E224 PolarHBondContact O-N 3.34Å; D221-M225 WeakPolarHBondContact O-CB 3.33Å; D221-M225 VanDerWaalsContact O-CG 3.29Å; D221-M225 WeakPolarHBondContact O-CG 3.3Å; D221-M225 PolarHBondContact O-N 3.05Å
222	I	75.4	Confident	76.6	Confident	70 Å²	70	83.2 Å²	83.2	36%	0.359	43%	0.428	S	S	.	.	H	α-helix	trans	-62.4	-41.7	175.5	-67.6	171	0	0	0	110	Y215 S218 T220 M225 F226	Y215-I222 HydrophobicContact CD2-CD1 3.8Å; Y215-I222 HydrophobicContact CE2-CD1 3.88Å; S218-I222 VanDerWaalsContact O-CG1 3.32Å; S218-I222 WeakPolarHBondContact O-CG1 3.36Å; S218-I222 PolarHBondContact O-N 3.32Å; S218-I222 VanDerWaalsContact OG-CD1 3.23Å; S218-I222 WeakPolarHBondContact OG-CD1 3.35Å; T220-I222 VanDerWaalsContact C-N 3.34Å; I222-M225 PolarHBondContact O-N 3.47Å; I222-F226 WeakPolarHBondContact O-CB 3.38Å; I222-F226 PolarHBondContact O-N 3.03Å
223	Y	76.8	Confident	77.4	Confident	135 Å²	135	80.7 Å²	80.7	53%	0.529	41%	0.414	S	S	.	.	H	α-helix	trans	-66.4	-43.9	178.4	179.6	-94.1	0	0	0	112.3	I219 T220 D221 F226 M227	I219-Y223 WeakPolarHBondContact O-CB 3.19Å; I219-Y223 PolarHBondContact O-N 3.26Å; T220-Y223 PolarHBondContact O-N 3.49Å; D221-Y223 VanDerWaalsContact C-N 3.31Å; D221-Y223 PolarHBondContact O-N 3.03Å; Y223-F226 PolarHBondContact O-N 3.2Å; Y223-M227 HydrophobicContact CD1-CG 4.22Å; Y223-M227 HydrophobicContact CE1-CE 4.25Å; Y223-M227 HydrophobicContact CE1-CG 3.83Å; Y223-M227 HydrophobicContact CE2-CE 3.89Å; Y223-M227 HydrophobicContact CE2-CG 4.26Å; Y223-M227 VanDerWaalsContact CZ-CE 3.46Å; Y223-M227 WeakPolarHBondContact O-CB 3.48Å; Y223-M227 WeakPolarHBondContact O-CG 2.91Å; Y223-M227 PolarHBondContact O-N 3.05Å; Y223-M227 WeakPolarHBondContact OH-CE 3.49Å
224	E	82	Confident	78.3	Confident	139 Å²	139	83.3 Å²	83.3	65%	0.65	43%	0.428	S	S	*	.	H	α-helix	trans	-61.4	-45.5	174.8	-76	-178.5	-178	0	0	111.6	T220 D221 F226 M227 S228	T220-E224 PolarHBondContact O-N 3.12Å; D221-E224 PolarHBondContact O-N 3.34Å; E224-F226 VanDerWaalsContact C-N 3.33Å; E224-F226 PolarHBondContact O-N 2.98Å; E224-M227 PolarHBondContact O-N 3.46Å; E224-S228 WeakPolarHBondContact O-CB 3.34Å; E224-S228 PolarHBondContact O-N 2.94Å
225	M	80.5	Confident	79	Confident	127 Å²	127	86.6 Å²	86.6	63%	0.626	44%	0.441	S	S	*	.	H	α-helix	trans	-60.6	-43	174.1	-76	-66.1	-57.7	0	0	111.8	D221 I222 S228 C229	D221-M225 WeakPolarHBondContact O-CB 3.33Å; D221-M225 VanDerWaalsContact O-CG 3.29Å; D221-M225 WeakPolarHBondContact O-CG 3.3Å; D221-M225 PolarHBondContact O-N 3.05Å; I222-M225 PolarHBondContact O-N 3.47Å; M225-S228 PolarHBondContact O-N 3.01Å; M225-C229 PolarHBondContact O-N 3.12Å; M225-C229 PolarHBondContact O-SG 3.44Å
226	F	78.9	Confident	79.6	Confident	120 Å²	120	81.9 Å²	81.9	53%	0.526	42%	0.424	S	S	.	.	H	α-helix	trans	-65.2	-43.2	179.6	179.5	-108.7	0	0	0	112	I222 Y223 E224 C229 I230	I222-F226 WeakPolarHBondContact O-CB 3.38Å; I222-F226 PolarHBondContact O-N 3.03Å; Y223-F226 PolarHBondContact O-N 3.2Å; E224-F226 VanDerWaalsContact C-N 3.33Å; E224-F226 PolarHBondContact O-N 2.98Å; F226-C229 PolarHBondContact O-N 3.04Å; F226-I230 HydrophobicContact CD1-CD1 3.71Å; F226-I230 HydrophobicContact CE1-CD1 3.18Å; F226-I230 HydrophobicContact CE1-CG1 4.23Å; F226-I230 HydrophobicContact CE2-CD1 4.16Å; F226-I230 HydrophobicContact CE2-CG1 4.45Å; F226-I230 HydrophobicContact CG-CD1 4.4Å; F226-I230 HydrophobicContact CZ-CD1 3.45Å; F226-I230 VanDerWaalsContact CZ-CD1 3.45Å; F226-I230 HydrophobicContact CZ-CG1 4.19Å; F226-I230 WeakPolarHBondContact O-CG1 3.37Å; F226-I230 PolarHBondContact O-N 2.99Å
227	M	86.2	Confident	80.3	Confident	71 Å²	71	84.7 Å²	84.7	35%	0.35	43%	0.426	S	S	.	.	H	α-helix	trans	-64.3	-43.7	175.8	-75.9	-58	-151.8	0	0	111.8	Y223 E224 C229 I230 D231	Y223-M227 HydrophobicContact CD1-CG 4.22Å; Y223-M227 HydrophobicContact CE1-CE 4.25Å; Y223-M227 HydrophobicContact CE1-CG 3.83Å; Y223-M227 HydrophobicContact CE2-CE 3.89Å; Y223-M227 HydrophobicContact CE2-CG 4.26Å; Y223-M227 VanDerWaalsContact CZ-CE 3.46Å; Y223-M227 WeakPolarHBondContact O-CB 3.48Å; Y223-M227 WeakPolarHBondContact O-CG 2.91Å; Y223-M227 PolarHBondContact O-N 3.05Å; Y223-M227 WeakPolarHBondContact OH-CE 3.49Å; E224-M227 PolarHBondContact O-N 3.46Å; M227-C229 VanDerWaalsContact C-N 3.31Å; M227-C229 PolarHBondContact O-N 2.98Å; M227-I230 PolarHBondContact O-N 3.03Å; M227-I230 VanDerWaalsContact O-N 3.14Å; M227-I230 HydrophobicContact SD-CD1 4.39Å; M227-D231 PolarHBondContact O-N 3.45Å
228	S	86.7	Confident	81.1	Confident	61 Å²	61	92.8 Å²	92.8	43%	0.427	45%	0.453	S	S	.	.	H	α-helix	trans	-58.1	-42.9	173.5	177.9	0	0	0	0	112.1	E224 M225 D231 I232	E224-S228 WeakPolarHBondContact O-CB 3.34Å; E224-S228 PolarHBondContact O-N 2.94Å; M225-S228 PolarHBondContact O-N 3.01Å; S228-D231 PolarHBondContact O-N 3.48Å; S228-I232 WeakPolarHBondContact O-CG1 3.48Å; S228-I232 PolarHBondContact O-N 3.05Å
229	C	82.8	Confident	81.6	Confident	64 Å²	64	96.9 Å²	96.9	43%	0.432	47%	0.471	S	S	.	.	H	α-helix	trans	-63.3	-44.8	173.4	-70	0	0	0	0	112.2	M225 F226 M227 D231 I232 E233	M225-C229 PolarHBondContact O-N 3.12Å; M225-C229 PolarHBondContact O-SG 3.44Å; F226-C229 PolarHBondContact O-N 3.04Å; M227-C229 VanDerWaalsContact C-N 3.31Å; M227-C229 PolarHBondContact O-N 2.98Å; C229-D231 VanDerWaalsContact C-N 3.31Å; C229-D231 PolarHBondContact O-N 3.46Å; C229-I232 PolarHBondContact O-N 3.25Å; C229-E233 WeakPolarHBondContact O-CB 3.29Å; C229-E233 WeakPolarHBondContact O-CG 3.24Å; C229-E233 PolarHBondContact O-N 3.4Å
230	I	82	Confident	82.2	Confident	56 Å²	56	94.2 Å²	94.2	29%	0.287	46%	0.464	S	S	.	.	H	α-helix	trans	-58.8	-42.7	177.3	-77.3	175.3	0	0	0	111.5	F226 M227 I232 E233 L234	F226-I230 HydrophobicContact CD1-CD1 3.71Å; F226-I230 HydrophobicContact CE1-CD1 3.18Å; F226-I230 HydrophobicContact CE1-CG1 4.23Å; F226-I230 HydrophobicContact CE2-CD1 4.16Å; F226-I230 HydrophobicContact CE2-CG1 4.45Å; F226-I230 HydrophobicContact CG-CD1 4.4Å; F226-I230 HydrophobicContact CZ-CD1 3.45Å; F226-I230 VanDerWaalsContact CZ-CD1 3.45Å; F226-I230 HydrophobicContact CZ-CG1 4.19Å; F226-I230 WeakPolarHBondContact O-CG1 3.37Å; F226-I230 PolarHBondContact O-N 2.99Å; M227-I230 PolarHBondContact O-N 3.03Å; M227-I230 VanDerWaalsContact O-N 3.14Å; M227-I230 HydrophobicContact SD-CD1 4.39Å; I230-I232 PolarHBondContact O-N 3.49Å; I230-E233 PolarHBondContact O-N 2.8Å; I230-L234 HydrophobicContact CG2-CD1 3.64Å; I230-L234 HydrophobicContact CG2-CG 4.32Å; I230-L234 WeakPolarHBondContact O-CB 3.42Å; I230-L234 PolarHBondContact O-N 3.32Å
231	D	85.5	Confident	82.6	Confident	105 Å²	105	95.5 Å²	95.5	56%	0.561	47%	0.468	S	S	*	.	H	α-helix	trans	-62.7	-43.5	-179.7	-74.2	-27.3	0	0	0	111.3	M227 S228 C229 L234 E235	M227-D231 PolarHBondContact O-N 3.45Å; S228-D231 PolarHBondContact O-N 3.48Å; C229-D231 VanDerWaalsContact C-N 3.31Å; C229-D231 PolarHBondContact O-N 3.46Å; D231-L234 PolarHBondContact O-N 3.41Å; D231-E235 PolarHBondContact O-N 3.34Å
232	I	84.2	Confident	82.9	Confident	89 Å²	89	97.8 Å²	97.8	46%	0.456	48%	0.483	S	S	.	.	H	α-helix	trans	-62	-44.3	174.8	-65.8	165.6	0	0	0	111	S228 C229 I230 E235 L236	S228-I232 WeakPolarHBondContact O-CG1 3.48Å; S228-I232 PolarHBondContact O-N 3.05Å; C229-I232 PolarHBondContact O-N 3.25Å; I230-I232 PolarHBondContact O-N 3.49Å; I232-E235 PolarHBondContact O-N 3.08Å; I232-L236 HydrophobicContact CG2-CD1 4.09Å; I232-L236 PolarHBondContact O-N 3.49Å
233	E	82.2	Confident	83.2	Confident	47 Å²	47	98.9 Å²	98.9	22%	0.22	49%	0.49	C	S	.	.	H	α-helix	trans	-67.2	-38	-179.8	-67.7	-70.8	150.4	0	0	112.1	C229 I230 E235 L236 Y237 Y244 H248 R251	C229-E233 WeakPolarHBondContact O-CB 3.29Å; C229-E233 WeakPolarHBondContact O-CG 3.24Å; C229-E233 PolarHBondContact O-N 3.4Å; I230-E233 PolarHBondContact O-N 2.8Å; E233-E235 VanDerWaalsContact C-N 3.34Å; E233-L236 PolarHBondContact O-N 2.86Å; E233-Y237 WeakPolarHBondContact O-CB 3.37Å; E233-Y237 PolarHBondContact O-N 3.38Å; E233-Y244 VanDerWaalsContact OE2-CE2 3.32Å; E233-Y244 WeakPolarHBondContact OE2-CE2 3.35Å; E233-Y244 PolarHBondContact OE2-OH 2.98Å; E233-H248 VanDerWaalsContact CD-CE1 3.45Å; E233-H248 IonicContact OE1-CE1 2.73Å; E233-H248 PolarHBondContact OE1-CE1 3.25Å; E233-H248 IonicContact OE1-NE2 3.68Å; E233-H248 IonicContact OE2-CE1 2.73Å; E233-H248 PolarHBondContact OE2-CE1 2.99Å; E233-H248 IonicContact OE2-NE2 3.83Å; E233-H248 PolarHBondContact OE2-NE2 2.68Å; E233-R251 IonicContact OE1-NH1 2.72Å
234	L	84.9	Confident	83.4	Confident	91 Å²	91	95.4 Å²	95.4	48%	0.476	48%	0.476	S	S	.	.	H	α-helix	trans	-64.8	-37.7	173.5	-87.3	164.2	0	0	0	111.9	I230 D231 Y237 R238	I230-L234 HydrophobicContact CG2-CD1 3.64Å; I230-L234 HydrophobicContact CG2-CG 4.32Å; I230-L234 WeakPolarHBondContact O-CB 3.42Å; I230-L234 PolarHBondContact O-N 3.32Å; D231-L234 PolarHBondContact O-N 3.41Å; L234-Y237 PolarHBondContact O-N 3.29Å; L234-R238 WeakPolarHBondContact O-CG 3.4Å; L234-R238 PolarHBondContact O-N 2.84Å; L234-R238 VanDerWaalsContact O-N 3.13Å
235	E	83.9	Confident	83.3	Confident	144 Å²	144	92.9 Å²	92.9	67%	0.673	47%	0.466	S	S	*	.	H	α-helix	trans	-65.7	-41.4	175.7	-164.7	171.8	-161.4	0	0	111.4	D231 I232 E233 R238	D231-E235 PolarHBondContact O-N 3.34Å; I232-E235 PolarHBondContact O-N 3.08Å; E233-E235 VanDerWaalsContact C-N 3.34Å; E235-R238 PolarHBondContact O-N 3.1Å
236	L	80.8	Confident	83.2	Confident	30 Å²	30	89.9 Å²	89.9	16%	0.157	46%	0.456	C	S	.	.	H	α-helix	trans	-64.5	-41.4	172.8	-79	154.1	0	0	0	112.5	I232 E233 R238 L239 Y244 F247	I232-L236 HydrophobicContact CG2-CD1 4.09Å; I232-L236 PolarHBondContact O-N 3.49Å; E233-L236 PolarHBondContact O-N 2.86Å; L236-R238 VanDerWaalsContact C-N 3.27Å; L236-R238 PolarHBondContact O-N 2.75Å; L236-L239 HydrophobicContact CD2-CD1 4.41Å; L236-L239 WeakPolarHBondContact O-CB 3.29Å; L236-L239 PolarHBondContact O-N 3.32Å; L236-L239 VanDerWaalsContact O-N 3.17Å; L236-Y244 HydrophobicContact CB-CD2 3.94Å; L236-Y244 HydrophobicContact CB-CE2 4.26Å; L236-F247 HydrophobicContact CD1-CD1 4.03Å; L236-F247 HydrophobicContact CD1-CE1 3.6Å; L236-F247 HydrophobicContact CD1-CZ 4.25Å; L236-F247 HydrophobicContact CD2-CD1 3.77Å; L236-F247 HydrophobicContact CD2-CD2 4.23Å; L236-F247 HydrophobicContact CD2-CE1 3.82Å; L236-F247 HydrophobicContact CD2-CE2 4.28Å; L236-F247 HydrophobicContact CD2-CG 3.98Å; L236-F247 HydrophobicContact CD2-CZ 4.08Å; L236-F247 HydrophobicContact CG-CE1 4.38Å
237	Y	81.6	Confident	83.2	Confident	131 Å²	131	88.7 Å²	88.7	51%	0.514	45%	0.45	S	S	.	.	H	α-helix	trans	-64	-31.9	178.2	-177.2	-100	0	0	0	112.6	E233 L234 L239 G240 L241 Y244	E233-Y237 WeakPolarHBondContact O-CB 3.37Å; E233-Y237 PolarHBondContact O-N 3.38Å; L234-Y237 PolarHBondContact O-N 3.29Å; Y237-L239 PolarHBondContact O-N 3.49Å; Y237-G240 PolarHBondContact O-N 3.42Å; Y237-G240 VanDerWaalsContact O-N 3.12Å; Y237-L241 HydrophobicContact CE2-CD1 3.95Å; Y237-Y244 HydrophobicContact CD2-CD1 4.48Å; Y237-Y244 HydrophobicContact CD2-CG 4.28Å
238	R	85.4	Confident	82.9	Confident	218 Å²	218	86.6 Å²	86.6	82%	0.823	44%	0.439	S	S	*	.	H	α-helix	trans	-63.5	-22.5	175.6	-76.7	178.5	-177.4	-169	3.4	113.7	L234 E235 L236 G240	L234-R238 WeakPolarHBondContact O-CG 3.4Å; L234-R238 PolarHBondContact O-N 2.84Å; L234-R238 VanDerWaalsContact O-N 3.13Å; E235-R238 PolarHBondContact O-N 3.1Å; L236-R238 VanDerWaalsContact C-N 3.27Å; L236-R238 PolarHBondContact O-N 2.75Å; R238-G240 PolarHBondContact O-N 2.87Å
239	L	83.8	Confident	82.3	Confident	122 Å²	122	90.7 Å²	90.7	64%	0.639	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-23.4	175.8	-65	163.9	0	0	0	112	L236 Y237	L236-L239 HydrophobicContact CD2-CD1 4.41Å; L236-L239 WeakPolarHBondContact O-CB 3.29Å; L236-L239 PolarHBondContact O-N 3.32Å; L236-L239 VanDerWaalsContact O-N 3.17Å; Y237-L239 PolarHBondContact O-N 3.49Å
240	G	86.9	Confident	82.1	Confident	27 Å²	27	93.3 Å²	93.3	28%	0.278	46%	0.455	S	S	.	.			trans	133.6	151.7	176.6	0	0	0	0	0	112.5	Y237 R238 V242 D243 Y244	Y237-G240 PolarHBondContact O-N 3.42Å; Y237-G240 VanDerWaalsContact O-N 3.12Å; R238-G240 PolarHBondContact O-N 2.87Å; G240-V242 VanDerWaalsContact C-N 3.31Å; G240-V242 PolarHBondContact O-N 2.79Å; G240-D243 PolarHBondContact O-N 2.92Å; G240-Y244 VanDerWaalsContact O-CB 3.32Å; G240-Y244 WeakPolarHBondContact O-CB 3.39Å; G240-Y244 PolarHBondContact O-N 2.86Å
241	L	85.6	Confident	81.8	Confident	102 Å²	102	98.2 Å²	98.2	53%	0.534	47%	0.47	S	S	.	.	H	α-helix	trans	-60.5	-39.1	-177.2	-178.3	69.8	0	0	0	112.7	Y237 I245	Y237-L241 HydrophobicContact CE2-CD1 3.95Å; L241-I245 HydrophobicContact CD1-CD1 4.05Å; L241-I245 HydrophobicContact CD1-CG1 4.42Å; L241-I245 HydrophobicContact CD2-CD1 4.49Å; L241-I245 HydrophobicContact CG-CD1 3.88Å; L241-I245 WeakPolarHBondContact O-CB 3.38Å; L241-I245 VanDerWaalsContact O-CG1 3.23Å; L241-I245 WeakPolarHBondContact O-CG1 3.35Å; L241-I245 PolarHBondContact O-N 3.25Å
242	V	85	Confident	81.3	Confident	104 Å²	104	97.4 Å²	97.4	63%	0.63	47%	0.466	S	S	*	.	H	α-helix	trans	-69.6	-44	-179.4	-179.8	0	0	0	0	110.6	G240 Y244 I245 T246	G240-V242 VanDerWaalsContact C-N 3.31Å; G240-V242 PolarHBondContact O-N 2.79Å; V242-Y244 VanDerWaalsContact C-N 3.34Å; V242-I245 PolarHBondContact O-N 3.21Å; V242-T246 HydrophobicContact CG1-CG2 4.31Å; V242-T246 WeakPolarHBondContact O-CB 3.46Å; V242-T246 VanDerWaalsContact O-CG2 3.26Å; V242-T246 WeakPolarHBondContact O-CG2 3.39Å; V242-T246 PolarHBondContact O-N 3.48Å; V242-T246 PolarHBondContact O-OG1 3.32Å
243	D	80.9	Confident	81.3	Confident	94 Å²	94	97.4 Å²	97.4	50%	0.503	47%	0.466	S	S	.	.	H	α-helix	trans	-67.3	-38.3	178.5	-65.6	-21.7	0	0	0	111.1	G240 T246 F247	G240-D243 PolarHBondContact O-N 2.92Å; D243-T246 VanDerWaalsContact CA-OG1 3.3Å; D243-T246 WeakPolarHBondContact CA-OG1 3.25Å; D243-T246 PolarHBondContact O-N 3.06Å; D243-T246 PolarHBondContact O-OG1 2.9Å; D243-F247 WeakPolarHBondContact O-CB 3.47Å; D243-F247 PolarHBondContact O-N 3.33Å
244	Y	81.2	Confident	81.4	Confident	61 Å²	61	96.9 Å²	96.9	24%	0.239	47%	0.466	C	S	.	.	H	α-helix	trans	-58.7	-54.1	171	-176.2	-96.9	0	0	0	111.5	E233 L236 Y237 G240 V242 T246 F247 H248	E233-Y244 VanDerWaalsContact OE2-CE2 3.32Å; E233-Y244 WeakPolarHBondContact OE2-CE2 3.35Å; E233-Y244 PolarHBondContact OE2-OH 2.98Å; L236-Y244 HydrophobicContact CB-CD2 3.94Å; L236-Y244 HydrophobicContact CB-CE2 4.26Å; Y237-Y244 HydrophobicContact CD2-CD1 4.48Å; Y237-Y244 HydrophobicContact CD2-CG 4.28Å; G240-Y244 VanDerWaalsContact O-CB 3.32Å; G240-Y244 WeakPolarHBondContact O-CB 3.39Å; G240-Y244 PolarHBondContact O-N 2.86Å; V242-Y244 VanDerWaalsContact C-N 3.34Å; Y244-T246 PolarHBondContact O-N 2.84Å; Y244-F247 PolarHBondContact O-N 3.47Å; Y244-H248 AromaticContact CD1-CD2 3.92Å; Y244-H248 AromaticContact CD2-CD2 3.65Å; Y244-H248 AromaticContact CD2-NE2 3.72Å; Y244-H248 AromaticContact CE1-CD2 3.62Å; Y244-H248 AromaticContact CE2-CD2 3.33Å; Y244-H248 WeakPolarHBondContact CE2-CD2 3.29Å; Y244-H248 AromaticContact CE2-NE2 3.11Å; Y244-H248 WeakPolarHBondContact CE2-NE2 3.39Å; Y244-H248 AromaticContact CG-CD2 3.92Å; Y244-H248 AromaticContact CZ-CD2 3.29Å; Y244-H248 AromaticContact CZ-NE2 3.36Å; Y244-H248 PolarHBondContact O-CD2 3.01Å; Y244-H248 PolarHBondContact O-N 3.41Å; Y244-H248 PolarHBondContact OH-NE2 2.91Å
245	I	79.4	Confident	81.5	Confident	86 Å²	86	94.9 Å²	94.9	44%	0.441	46%	0.459	S	S	.	.	H	α-helix	trans	-61.2	-44.8	-179.8	-69.1	168.4	0	0	0	110.6	L241 V242 F247 H248 W249	L241-I245 HydrophobicContact CD1-CD1 4.05Å; L241-I245 HydrophobicContact CD1-CG1 4.42Å; L241-I245 HydrophobicContact CD2-CD1 4.49Å; L241-I245 HydrophobicContact CG-CD1 3.88Å; L241-I245 WeakPolarHBondContact O-CB 3.38Å; L241-I245 VanDerWaalsContact O-CG1 3.23Å; L241-I245 WeakPolarHBondContact O-CG1 3.35Å; L241-I245 PolarHBondContact O-N 3.25Å; V242-I245 PolarHBondContact O-N 3.21Å; I245-F247 PolarHBondContact O-N 3.5Å; I245-H248 PolarHBondContact O-N 2.92Å; I245-W249 WeakPolarHBondContact O-CA 3.11Å; I245-W249 WeakPolarHBondContact O-CB 3.5Å; I245-W249 PolarHBondContact O-N 3.29Å
246	T	79.3	Confident	81.7	Confident	65 Å²	65	92 Å²	92	40%	0.399	45%	0.445	S	S	.	.	H	α-helix	trans	-65.6	-38.7	179.9	53.9	0	0	0	0	112.3	V242 D243 Y244 N250	V242-T246 HydrophobicContact CG1-CG2 4.31Å; V242-T246 WeakPolarHBondContact O-CB 3.46Å; V242-T246 VanDerWaalsContact O-CG2 3.26Å; V242-T246 WeakPolarHBondContact O-CG2 3.39Å; V242-T246 PolarHBondContact O-N 3.48Å; V242-T246 PolarHBondContact O-OG1 3.32Å; D243-T246 VanDerWaalsContact CA-OG1 3.3Å; D243-T246 WeakPolarHBondContact CA-OG1 3.25Å; D243-T246 PolarHBondContact O-N 3.06Å; D243-T246 PolarHBondContact O-OG1 2.9Å; Y244-T246 PolarHBondContact O-N 2.84Å; T246-N250 WeakPolarHBondContact O-CB 3.47Å; T246-N250 VanDerWaalsContact O-CG 3.28Å; T246-N250 PolarHBondContact O-N 3.35Å; T246-N250 VanDerWaalsContact O-N 3.1Å; T246-N250 PolarHBondContact O-ND2 3.47Å
247	F	80.1	Confident	82	Confident	95 Å²	95	93.4 Å²	93.4	42%	0.417	45%	0.452	S	S	.	.	H	α-helix	trans	-61	-50	173.6	-179.3	-98.8	0	0	0	111.5	L236 D243 Y244 I245 R251	L236-F247 HydrophobicContact CD1-CD1 4.03Å; L236-F247 HydrophobicContact CD1-CE1 3.6Å; L236-F247 HydrophobicContact CD1-CZ 4.25Å; L236-F247 HydrophobicContact CD2-CD1 3.77Å; L236-F247 HydrophobicContact CD2-CD2 4.23Å; L236-F247 HydrophobicContact CD2-CE1 3.82Å; L236-F247 HydrophobicContact CD2-CE2 4.28Å; L236-F247 HydrophobicContact CD2-CG 3.98Å; L236-F247 HydrophobicContact CD2-CZ 4.08Å; L236-F247 HydrophobicContact CG-CE1 4.38Å; D243-F247 WeakPolarHBondContact O-CB 3.47Å; D243-F247 PolarHBondContact O-N 3.33Å; Y244-F247 PolarHBondContact O-N 3.47Å; I245-F247 PolarHBondContact O-N 3.5Å; F247-R251 VanDerWaalsContact O-CB 3.3Å; F247-R251 WeakPolarHBondContact O-CB 3.36Å; F247-R251 PolarHBondContact O-N 2.9Å
248	H	78.8	Confident	82.5	Confident	26 Å²	26	88.8 Å²	88.8	12%	0.12	44%	0.436	C	S	.	.	H	α-helix	trans	-71.1	-36.4	180	-77.3	-71.4	0	0	0	113.4	E233 Y244 I245 R251 L252	E233-H248 VanDerWaalsContact CD-CE1 3.45Å; E233-H248 IonicContact OE1-CE1 2.73Å; E233-H248 PolarHBondContact OE1-CE1 3.25Å; E233-H248 IonicContact OE1-NE2 3.68Å; E233-H248 IonicContact OE2-CE1 2.73Å; E233-H248 PolarHBondContact OE2-CE1 2.99Å; E233-H248 IonicContact OE2-NE2 3.83Å; E233-H248 PolarHBondContact OE2-NE2 2.68Å; Y244-H248 AromaticContact CD1-CD2 3.92Å; Y244-H248 AromaticContact CD2-CD2 3.65Å; Y244-H248 AromaticContact CD2-NE2 3.72Å; Y244-H248 AromaticContact CE1-CD2 3.62Å; Y244-H248 AromaticContact CE2-CD2 3.33Å; Y244-H248 WeakPolarHBondContact CE2-CD2 3.29Å; Y244-H248 AromaticContact CE2-NE2 3.11Å; Y244-H248 WeakPolarHBondContact CE2-NE2 3.39Å; Y244-H248 AromaticContact CG-CD2 3.92Å; Y244-H248 AromaticContact CZ-CD2 3.29Å; Y244-H248 AromaticContact CZ-NE2 3.36Å; Y244-H248 PolarHBondContact O-CD2 3.01Å; Y244-H248 PolarHBondContact O-N 3.41Å; Y244-H248 PolarHBondContact OH-NE2 2.91Å; I245-H248 PolarHBondContact O-N 2.92Å; H248-R251 PolarHBondContact O-N 3.02Å; H248-L252 HydrophobicContact CB-CD1 4.38Å; H248-L252 WeakPolarHBondContact O-CB 3.34Å; H248-L252 VanDerWaalsContact O-CD1 3.25Å; H248-L252 WeakPolarHBondContact O-CD1 3.49Å; H248-L252 PolarHBondContact O-N 2.76Å
249	W	73.4	Confident	82.8	Confident	148 Å²	148	80.2 Å²	80.2	56%	0.561	41%	0.406	S	S	*	.	H	α-helix	trans	-62.8	-45.3	178.5	-169.5	-88.8	0	0	0	111.2	I245 R251 D253 V254	I245-W249 WeakPolarHBondContact O-CA 3.11Å; I245-W249 WeakPolarHBondContact O-CB 3.5Å; I245-W249 PolarHBondContact O-N 3.29Å; W249-R251 VanDerWaalsContact C-N 3.32Å; W249-D253 PolarHBondContact O-N 3.27Å; W249-V254 HydrophobicContact CD2-CG2 4.4Å; W249-V254 HydrophobicContact CE3-CG2 4.26Å; W249-V254 HydrophobicContact CH2-CG2 4.42Å; W249-V254 HydrophobicContact CZ2-CB 4.46Å; W249-V254 HydrophobicContact CZ3-CG2 4.27Å
250	N	78.6	Confident	83	Confident	118 Å²	118	80.4 Å²	80.4	63%	0.631	40%	0.399	S	S	*	.	H	α-helix	trans	-68.3	-31.2	174.6	-69.9	-15.2	0	0	0	112.2	T246	T246-N250 WeakPolarHBondContact O-CB 3.47Å; T246-N250 VanDerWaalsContact O-CG 3.28Å; T246-N250 PolarHBondContact O-N 3.35Å; T246-N250 VanDerWaalsContact O-N 3.1Å; T246-N250 PolarHBondContact O-ND2 3.47Å
251	R	76.8	Confident	83.1	Confident	159 Å²	159	85.2 Å²	85.2	60%	0.6	41%	0.413	S	S	*	.	H	α-helix	trans	-74.7	-36.6	178.3	-177.2	178.7	172.5	-163	-2	113.3	E233 F247 H248 W249	E233-R251 IonicContact OE1-NH1 2.72Å; F247-R251 VanDerWaalsContact O-CB 3.3Å; F247-R251 WeakPolarHBondContact O-CB 3.36Å; F247-R251 PolarHBondContact O-N 2.9Å; H248-R251 PolarHBondContact O-N 3.02Å; W249-R251 VanDerWaalsContact C-N 3.32Å
252	L	75.2	Confident	83.5	Confident	89 Å²	89	80.6 Å²	80.6	47%	0.466	39%	0.388	S	S	.	.	H	α-helix	trans	-79.1	-20.4	-177.6	-95	93.9	0	0	0	113.3	H248 V254 I257	H248-L252 HydrophobicContact CB-CD1 4.38Å; H248-L252 WeakPolarHBondContact O-CB 3.34Å; H248-L252 VanDerWaalsContact O-CD1 3.25Å; H248-L252 WeakPolarHBondContact O-CD1 3.49Å; H248-L252 PolarHBondContact O-N 2.76Å; L252-V254 HydrophobicContact CB-CG2 4.01Å; L252-V254 PolarHBondContact O-N 3.23Å; L252-I257 HydrophobicContact CB-CD1 4.29Å; L252-I257 HydrophobicContact CD2-CD1 4.18Å; L252-I257 HydrophobicContact CG-CD1 4.47Å; L252-I257 WeakPolarHBondContact O-CD1 3.47Å; L252-I257 WeakPolarHBondContact O-CG1 3.49Å
253	D	82.6	Confident	83.7	Confident	88 Å²	88	77.2 Å²	77.2	47%	0.471	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	44	53.1	-172.7	-80.5	-31.6	0	0	0	111.5	W249 P255 Q256 I257	W249-D253 PolarHBondContact O-N 3.27Å; D253-P255 VanDerWaalsContact C-N 3.28Å; D253-P255 VanDerWaalsContact O-N 3.07Å; D253-Q256 HydrophobicContact CB-CB 4.04Å; D253-Q256 WeakPolarHBondContact O-CA 3.36Å; D253-Q256 VanDerWaalsContact O-CB 3.24Å; D253-Q256 WeakPolarHBondContact O-CB 3.46Å; D253-Q256 PolarHBondContact O-N 3.39Å; D253-I257 PolarHBondContact O-N 3.33Å
254	V	85.4	Confident	84.1	Confident	37 Å²	37	79.6 Å²	79.6	22%	0.224	38%	0.375	C	S	.	.	H	α-helix	trans	-45.5	-43.5	-173.4	179.3	0	0	0	0	113.5	W249 L252 Q256 I257 L258	W249-V254 HydrophobicContact CD2-CG2 4.4Å; W249-V254 HydrophobicContact CE3-CG2 4.26Å; W249-V254 HydrophobicContact CH2-CG2 4.42Å; W249-V254 HydrophobicContact CZ2-CB 4.46Å; W249-V254 HydrophobicContact CZ3-CG2 4.27Å; L252-V254 HydrophobicContact CB-CG2 4.01Å; L252-V254 PolarHBondContact O-N 3.23Å; V254-Q256 VanDerWaalsContact C-N 3.27Å; V254-Q256 PolarHBondContact O-N 3.49Å; V254-I257 PolarHBondContact O-N 2.83Å; V254-L258 HydrophobicContact CG1-CD1 4.01Å; V254-L258 HydrophobicContact CG1-CG 4.3Å; V254-L258 WeakPolarHBondContact O-CG 3.32Å; V254-L258 PolarHBondContact O-N 2.98Å
255	P	86.8	Confident	84.4	Confident	49 Å²	49	78.2 Å²	78.2	32%	0.318	37%	0.37	S	S	.	.	H	α-helix	trans	-58.7	-37.1	176.1	-23.8	35.2	0	0	0	113.5	D253 L258 M259 A341 W408	D253-P255 VanDerWaalsContact C-N 3.28Å; D253-P255 VanDerWaalsContact O-N 3.07Å; P255-L258 PolarHBondContact O-N 3.26Å; P255-M259 WeakPolarHBondContact O-CB 3.35Å; P255-M259 PolarHBondContact O-N 3.15Å; P255-A341 HydrophobicContact CB-CB 4.27Å; P255-A341 WeakPolarHBondContact O-CB 3.18Å; P255-W408 HydrophobicContact CG-CH2 4.34Å
256	Q	88	Confident	84.9	Confident	82 Å²	82	74.8 Å²	74.8	38%	0.383	35%	0.353	S	S	.	.	H	α-helix	trans	-70.3	-41.9	179	-155.2	-171.8	21.5	0	0	111.1	D253 V254 L258 M259 Y260	D253-Q256 HydrophobicContact CB-CB 4.04Å; D253-Q256 WeakPolarHBondContact O-CA 3.36Å; D253-Q256 VanDerWaalsContact O-CB 3.24Å; D253-Q256 WeakPolarHBondContact O-CB 3.46Å; D253-Q256 PolarHBondContact O-N 3.39Å; V254-Q256 VanDerWaalsContact C-N 3.27Å; V254-Q256 PolarHBondContact O-N 3.49Å; Q256-L258 PolarHBondContact O-N 3.19Å; Q256-M259 HydrophobicContact CG-CE 3.98Å; Q256-M259 WeakPolarHBondContact O-CB 3.37Å; Q256-M259 PolarHBondContact O-N 3.38Å; Q256-Y260 HydrophobicContact CB-CE2 4.39Å; Q256-Y260 HydrophobicContact CG-CD2 4.32Å; Q256-Y260 HydrophobicContact CG-CE2 3.57Å; Q256-Y260 PolarHBondContact NE2-OH 2.94Å; Q256-Y260 WeakPolarHBondContact O-CD2 3.27Å; Q256-Y260 VanDerWaalsContact O-CG 3.29Å; Q256-Y260 PolarHBondContact O-N 2.95Å
257	I	88.3	Confident	85.3	Confident	60 Å²	60	76.6 Å²	76.6	31%	0.308	36%	0.358	S	S	.	.	H	α-helix	trans	-58.7	-47.8	173.4	-66.6	178.7	0	0	0	110.7	L252 D253 V254 M259 Y260 F261	L252-I257 HydrophobicContact CB-CD1 4.29Å; L252-I257 HydrophobicContact CD2-CD1 4.18Å; L252-I257 HydrophobicContact CG-CD1 4.47Å; L252-I257 WeakPolarHBondContact O-CD1 3.47Å; L252-I257 WeakPolarHBondContact O-CG1 3.49Å; D253-I257 PolarHBondContact O-N 3.33Å; V254-I257 PolarHBondContact O-N 2.83Å; I257-M259 VanDerWaalsContact C-N 3.33Å; I257-M259 PolarHBondContact O-N 2.86Å; I257-Y260 PolarHBondContact O-N 2.74Å; I257-Y260 VanDerWaalsContact O-N 3.15Å; I257-F261 HydrophobicContact CG2-CD2 3.6Å; I257-F261 HydrophobicContact CG2-CE2 3.36Å; I257-F261 VanDerWaalsContact O-CD2 3.25Å; I257-F261 WeakPolarHBondContact O-CD2 3.17Å; I257-F261 PolarHBondContact O-N 3.06Å
258	L	90.3	Very high	85.6	Confident	34 Å²	34	73.1 Å²	73.1	18%	0.178	35%	0.345	C	S	.	.	H	α-helix	trans	-61.7	-41.2	178.1	-69.3	172.6	0	0	0	111.9	V254 P255 Q256 Y260 F261 W262 L334 C337 G338	V254-L258 HydrophobicContact CG1-CD1 4.01Å; V254-L258 HydrophobicContact CG1-CG 4.3Å; V254-L258 WeakPolarHBondContact O-CG 3.32Å; V254-L258 PolarHBondContact O-N 2.98Å; P255-L258 PolarHBondContact O-N 3.26Å; Q256-L258 PolarHBondContact O-N 3.19Å; L258-Y260 VanDerWaalsContact C-N 3.34Å; L258-Y260 PolarHBondContact O-N 2.92Å; L258-F261 PolarHBondContact O-N 2.98Å; L258-W262 WeakPolarHBondContact O-CB 3.38Å; L258-W262 PolarHBondContact O-N 2.68Å; L258-L334 HydrophobicContact CD2-CD1 3.35Å; L258-L334 HydrophobicContact CD2-CG 4.29Å; L258-C337 HydrophobicContact CD1-CB 4.04Å; L258-G338 WeakPolarHBondContact O-CA 3.35Å
259	M	91.5	Very high	85.8	Confident	38 Å²	38	71.9 Å²	71.9	19%	0.187	34%	0.34	C	S	.	.	H	α-helix	trans	-61.3	-40.9	173.7	-178.9	-175.1	68.9	0	0	111.7	P255 Q256 I257 W262 S263 A341 F342 A345	P255-M259 WeakPolarHBondContact O-CB 3.35Å; P255-M259 PolarHBondContact O-N 3.15Å; Q256-M259 HydrophobicContact CG-CE 3.98Å; Q256-M259 WeakPolarHBondContact O-CB 3.37Å; Q256-M259 PolarHBondContact O-N 3.38Å; I257-M259 VanDerWaalsContact C-N 3.33Å; I257-M259 PolarHBondContact O-N 2.86Å; M259-W262 PolarHBondContact O-N 3.31Å; M259-S263 VanDerWaalsContact O-CB 3.28Å; M259-S263 WeakPolarHBondContact O-CB 2.78Å; M259-S263 PolarHBondContact O-N 2.96Å; M259-S263 PolarHBondContact O-OG 3.27Å; M259-A341 HydrophobicContact CB-CB 4.26Å; M259-F342 HydrophobicContact CG-CB 4Å; M259-F342 HydrophobicContact CG-CD2 3.92Å; M259-F342 HydrophobicContact CG-CG 4.47Å; M259-F342 HydrophobicContact SD-CD2 4.4Å; M259-A345 HydrophobicContact SD-CB 4.19Å
260	Y	89.6	Confident	86.4	Confident	127 Å²	127	66.2 Å²	66.2	50%	0.498	32%	0.32	S	S	.	.	H	α-helix	trans	-66.3	-43.8	176.4	-66.2	-40.8	0	0	0	112.5	Q256 I257 L258 W262 S263 F264	Q256-Y260 HydrophobicContact CB-CE2 4.39Å; Q256-Y260 HydrophobicContact CG-CD2 4.32Å; Q256-Y260 HydrophobicContact CG-CE2 3.57Å; Q256-Y260 PolarHBondContact NE2-OH 2.94Å; Q256-Y260 WeakPolarHBondContact O-CD2 3.27Å; Q256-Y260 VanDerWaalsContact O-CG 3.29Å; Q256-Y260 PolarHBondContact O-N 2.95Å; I257-Y260 PolarHBondContact O-N 2.74Å; I257-Y260 VanDerWaalsContact O-N 3.15Å; L258-Y260 VanDerWaalsContact C-N 3.34Å; L258-Y260 PolarHBondContact O-N 2.92Å; Y260-W262 VanDerWaalsContact C-N 3.32Å; Y260-W262 PolarHBondContact O-N 3.43Å; Y260-S263 PolarHBondContact O-N 3.26Å; Y260-F264 VanDerWaalsContact O-CB 3.3Å; Y260-F264 WeakPolarHBondContact O-CB 3.44Å; Y260-F264 PolarHBondContact O-N 3.25Å
261	F	89.4	Confident	86.6	Confident	128 Å²	128	66.4 Å²	66.4	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-60	-44	174.9	-81.9	-62.7	0	0	0	112	I257 L258 F264 K265	I257-F261 HydrophobicContact CG2-CD2 3.6Å; I257-F261 HydrophobicContact CG2-CE2 3.36Å; I257-F261 VanDerWaalsContact O-CD2 3.25Å; I257-F261 WeakPolarHBondContact O-CD2 3.17Å; I257-F261 PolarHBondContact O-N 3.06Å; L258-F261 PolarHBondContact O-N 2.98Å; F261-F264 PolarHBondContact O-N 2.93Å; F261-K265 PolarHBondContact O-N 3.17Å
262	W	92.2	Very high	86.7	Confident	5 Å²	5	61.9 Å²	61.9	2%	0.019	31%	0.307	C	S	.	.	H	α-helix	trans	-66.6	-42.9	177.7	-177.6	88.4	0	0	0	112.2	L258 M259 Y260 F264 K265 L266 L325 G329 A339 F342 F343	L258-W262 WeakPolarHBondContact O-CB 3.38Å; L258-W262 PolarHBondContact O-N 2.68Å; M259-W262 PolarHBondContact O-N 3.31Å; Y260-W262 VanDerWaalsContact C-N 3.32Å; Y260-W262 PolarHBondContact O-N 3.43Å; W262-F264 VanDerWaalsContact C-N 3.31Å; W262-F264 PolarHBondContact O-N 3.44Å; W262-K265 PolarHBondContact O-N 2.89Å; W262-L266 HydrophobicContact CH2-CD2 4.05Å; W262-L266 HydrophobicContact CZ3-CD2 3.94Å; W262-L266 WeakPolarHBondContact O-CB 3.47Å; W262-L266 PolarHBondContact O-N 2.88Å; W262-L325 HydrophobicContact CH2-CD2 3.23Å; W262-L325 HydrophobicContact CZ2-CD2 3.63Å; W262-L325 HydrophobicContact CZ3-CD2 4.28Å; W262-G329 PolarHBondContact NE1-O 3.18Å; W262-A339 HydrophobicContact CZ2-CB 4.27Å; W262-F342 HydrophobicContact CD2-CB 4.42Å; W262-F342 HydrophobicContact CE3-CB 3.76Å; W262-F342 HydrophobicContact CE3-CD1 4.08Å; W262-F342 AromaticContact CE3-CD2 3.87Å; W262-F342 HydrophobicContact CE3-CD2 3.87Å; W262-F342 HydrophobicContact CE3-CE2 4.49Å; W262-F342 AromaticContact CE3-CG 3.63Å; W262-F342 HydrophobicContact CE3-CG 3.63Å; W262-F342 HydrophobicContact CH2-CB 4.44Å; W262-F342 AromaticContact CH2-CD1 3.46Å; W262-F342 HydrophobicContact CH2-CD1 3.46Å; W262-F342 VanDerWaalsContact CH2-CD1 3.46Å; W262-F342 AromaticContact CH2-CE1 3.75Å; W262-F342 HydrophobicContact CH2-CE1 3.75Å; W262-F342 AromaticContact CH2-CG 3.91Å; W262-F342 HydrophobicContact CH2-CG 3.91Å; W262-F342 HydrophobicContact CH2-CZ 4.41Å; W262-F342 HydrophobicContact CZ3-CB 3.8Å; W262-F342 AromaticContact CZ3-CD1 3.22Å; W262-F342 HydrophobicContact CZ3-CD1 3.22Å; W262-F342 AromaticContact CZ3-CD2 3.53Å; W262-F342 HydrophobicContact CZ3-CD2 3.53Å; W262-F342 AromaticContact CZ3-CE1 3.55Å; W262-F342 HydrophobicContact CZ3-CE1 3.55Å; W262-F342 AromaticContact CZ3-CE2 3.83Å; W262-F342 HydrophobicContact CZ3-CE2 3.83Å; W262-F342 AromaticContact CZ3-CG 3.2Å; W262-F342 HydrophobicContact CZ3-CG 3.2Å; W262-F342 AromaticContact CZ3-CZ 3.84Å; W262-F342 HydrophobicContact CZ3-CZ 3.84Å; W262-F343 HydrophobicContact CH2-CZ 4.33Å; W262-F343 HydrophobicContact CZ2-CE2 4.33Å; W262-F343 HydrophobicContact CZ2-CZ 4.35Å
263	S	90.5	Very high	87	Confident	32 Å²	32	57.6 Å²	57.6	22%	0.224	29%	0.285	C	S	.	.	H	α-helix	trans	-63.3	-38.6	176.7	-58.2	0	0	0	0	111.5	M259 Y260 L266 M267	M259-S263 VanDerWaalsContact O-CB 3.28Å; M259-S263 WeakPolarHBondContact O-CB 2.78Å; M259-S263 PolarHBondContact O-N 2.96Å; M259-S263 PolarHBondContact O-OG 3.27Å; Y260-S263 PolarHBondContact O-N 3.26Å; S263-L266 PolarHBondContact O-N 3.46Å; S263-M267 WeakPolarHBondContact O-CB 3.4Å; S263-M267 VanDerWaalsContact O-CG 3.28Å; S263-M267 WeakPolarHBondContact O-CG 3.42Å; S263-M267 PolarHBondContact O-N 3.34Å
264	F	89.1	Confident	86.9	Confident	145 Å²	145	54.3 Å²	54.3	64%	0.636	27%	0.268	S	S	*	.	H	α-helix	trans	-64.9	-42.9	174.1	179.6	-96.3	0	0	0	112.1	Y260 F261 W262 M267 S268	Y260-F264 VanDerWaalsContact O-CB 3.3Å; Y260-F264 WeakPolarHBondContact O-CB 3.44Å; Y260-F264 PolarHBondContact O-N 3.25Å; F261-F264 PolarHBondContact O-N 2.93Å; W262-F264 VanDerWaalsContact C-N 3.31Å; W262-F264 PolarHBondContact O-N 3.44Å; F264-M267 PolarHBondContact O-N 3.26Å; F264-S268 WeakPolarHBondContact O-CB 3.48Å; F264-S268 PolarHBondContact O-N 2.85Å; F264-S268 PolarHBondContact O-OG 3.45Å
265	K	86.6	Confident	86.3	Confident	31 Å²	31	57.3 Å²	57.3	14%	0.135	29%	0.287	C	S	.	.	H	α-helix	trans	-60.3	-47.6	173.8	-170.8	179.8	-173.5	-176.1	0	110.8	F261 W262 M267 S268 V269 W277 H328 E331	F261-K265 PolarHBondContact O-N 3.17Å; W262-K265 PolarHBondContact O-N 2.89Å; K265-M267 PolarHBondContact O-N 2.7Å; K265-S268 WeakPolarHBondContact O-CB 3.46Å; K265-S268 PolarHBondContact O-N 2.96Å; K265-S268 VanDerWaalsContact O-N 3.16Å; K265-V269 WeakPolarHBondContact O-CG2 3.49Å; K265-V269 PolarHBondContact O-N 3.03Å; K265-W277 HydrophobicContact CG-CH2 4.28Å; K265-H328 WeakPolarHBondContact CE-O 3.33Å; K265-H328 PolarHBondContact NZ-O 2.97Å; K265-E331 IonicContact NZ-OE2 3.56Å; K265-E331 PolarHBondContact NZ-OE2 3.32Å
266	L	90.1	Very high	85.9	Confident	15 Å²	15	58.9 Å²	58.9	8%	0.079	30%	0.298	C	S	.	.	H	α-helix	trans	-56.8	-48.8	176.8	178.1	65.4	0	0	0	111.7	W262 S263 S268 V269 I270 G324 L325	W262-L266 HydrophobicContact CH2-CD2 4.05Å; W262-L266 HydrophobicContact CZ3-CD2 3.94Å; W262-L266 WeakPolarHBondContact O-CB 3.47Å; W262-L266 PolarHBondContact O-N 2.88Å; S263-L266 PolarHBondContact O-N 3.46Å; L266-S268 VanDerWaalsContact C-N 3.29Å; L266-S268 PolarHBondContact O-N 3.1Å; L266-V269 PolarHBondContact O-N 3.06Å; L266-I270 HydrophobicContact CD1-CD1 4.19Å; L266-I270 HydrophobicContact CG-CD1 3.99Å; L266-I270 WeakPolarHBondContact O-CG1 3.47Å; L266-I270 PolarHBondContact O-N 3.33Å; L266-G324 VanDerWaalsContact CD1-C 3.45Å; L266-L325 HydrophobicContact CD1-CD2 3.75Å; L266-L325 HydrophobicContact CD1-CG 3.85Å; L266-L325 HydrophobicContact CD2-CD2 3.61Å; L266-L325 HydrophobicContact CD2-CG 4.44Å; L266-L325 HydrophobicContact CG-CD2 4.32Å
267	M	88.7	Confident	85.5	Confident	102 Å²	102	58.1 Å²	58.1	50%	0.502	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-37.2	177.9	-72	-62.9	156	0	0	112	S263 F264 K265 V269 I270 I271	S263-M267 WeakPolarHBondContact O-CB 3.4Å; S263-M267 VanDerWaalsContact O-CG 3.28Å; S263-M267 WeakPolarHBondContact O-CG 3.42Å; S263-M267 PolarHBondContact O-N 3.34Å; F264-M267 PolarHBondContact O-N 3.26Å; K265-M267 PolarHBondContact O-N 2.7Å; M267-V269 PolarHBondContact O-N 3.02Å; M267-I270 PolarHBondContact O-N 3.27Å; M267-I270 HydrophobicContact SD-CD1 4.41Å; M267-I271 WeakPolarHBondContact O-CB 3.49Å; M267-I271 VanDerWaalsContact O-CG1 3.25Å; M267-I271 WeakPolarHBondContact O-CG1 3.32Å; M267-I271 PolarHBondContact O-N 2.99Å
268	S	85.4	Confident	84.9	Confident	22 Å²	22	62.5 Å²	62.5	15%	0.154	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-40.8	175.4	-60.1	0	0	0	0	112	F264 K265 L266 L272	F264-S268 WeakPolarHBondContact O-CB 3.48Å; F264-S268 PolarHBondContact O-N 2.85Å; F264-S268 PolarHBondContact O-OG 3.45Å; K265-S268 WeakPolarHBondContact O-CB 3.46Å; K265-S268 PolarHBondContact O-N 2.96Å; K265-S268 VanDerWaalsContact O-N 3.16Å; L266-S268 VanDerWaalsContact C-N 3.29Å; L266-S268 PolarHBondContact O-N 3.1Å; S268-L272 VanDerWaalsContact O-CB 3.25Å; S268-L272 WeakPolarHBondContact O-CB 3.09Å; S268-L272 WeakPolarHBondContact O-CG 3.48Å; S268-L272 PolarHBondContact O-N 2.78Å
269	V	84.3	Confident	84	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-67.1	-40.7	175.5	177.9	0	0	0	0	111.3	K265 L266 M267 G273 W277 H328	K265-V269 WeakPolarHBondContact O-CG2 3.49Å; K265-V269 PolarHBondContact O-N 3.03Å; L266-V269 PolarHBondContact O-N 3.06Å; M267-V269 PolarHBondContact O-N 3.02Å; V269-G273 VanDerWaalsContact O-CA 3.26Å; V269-G273 WeakPolarHBondContact O-CA 3.29Å; V269-G273 PolarHBondContact O-N 3.48Å; V269-W277 HydrophobicContact CG2-CB 4.3Å; V269-W277 HydrophobicContact CG2-CD2 3.84Å; V269-W277 HydrophobicContact CG2-CE3 4.38Å; V269-W277 HydrophobicContact CG2-CG 3.78Å; V269-H328 HydrophobicContact CG2-CB 3.94Å
270	I	85.3	Confident	82.7	Confident	28 Å²	28	62.3 Å²	62.3	14%	0.144	30%	0.303	C	S	.	.	H	α-helix	trans	-64.2	-42.4	178.1	-67.4	168.4	0	0	0	111.3	L266 M267 L317 R320 L321	L266-I270 HydrophobicContact CD1-CD1 4.19Å; L266-I270 HydrophobicContact CG-CD1 3.99Å; L266-I270 WeakPolarHBondContact O-CG1 3.47Å; L266-I270 PolarHBondContact O-N 3.33Å; M267-I270 PolarHBondContact O-N 3.27Å; M267-I270 HydrophobicContact SD-CD1 4.41Å; I270-L317 HydrophobicContact CG2-CD1 3.77Å; I270-R320 WeakPolarHBondContact O-CD 3.34Å; I270-R320 PolarHBondContact O-NH1 3.13Å; I270-L321 HydrophobicContact CD1-CB 4.5Å
271	I	82	Confident	80.8	Confident	122 Å²	122	61.7 Å²	61.7	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-76.5	-53.7	-177.3	-65.2	166.7	0	0	0	111.1	M267 R320	M267-I271 WeakPolarHBondContact O-CB 3.49Å; M267-I271 VanDerWaalsContact O-CG1 3.25Å; M267-I271 WeakPolarHBondContact O-CG1 3.32Å; M267-I271 PolarHBondContact O-N 2.99Å; I271-R320 PolarHBondContact O-NH1 3.21Å
272	L	80.1	Confident	78.4	Confident	64 Å²	64	60.6 Å²	60.6	34%	0.335	32%	0.319	S	S	.	.	H	α-helix	trans	-82.3	-25.4	-171.9	-59.1	171.6	0	0	0	113.1	S268 C276	S268-L272 VanDerWaalsContact O-CB 3.25Å; S268-L272 WeakPolarHBondContact O-CB 3.09Å; S268-L272 WeakPolarHBondContact O-CG 3.48Å; S268-L272 PolarHBondContact O-N 2.78Å; L272-C276 HydrophobicContact CB-CB 3.93Å; L272-C276 HydrophobicContact CD1-CB 4.08Å
273	G	80.6	Confident	76.1	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	59.5	-153.9	176.7	0	0	0	0	0	113.9	V269 V275 C276 W277 Y303	V269-G273 VanDerWaalsContact O-CA 3.26Å; V269-G273 WeakPolarHBondContact O-CA 3.29Å; V269-G273 PolarHBondContact O-N 3.48Å; G273-V275 PolarHBondContact O-N 3.15Å; G273-V275 VanDerWaalsContact O-N 3.13Å; G273-C276 PolarHBondContact O-N 3.35Å; G273-W277 PolarHBondContact O-N 3.36Å; G273-W277 VanDerWaalsContact O-N 3.12Å; G273-Y303 PolarHBondContact O-OH 2.92Å
274	P	79.6	Confident	73.4	Confident	18 Å²	18	67.1 Å²	67.1	12%	0.117	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-67.2	-12.7	-173.7	27.4	-36.1	0	0	0	114	R278 Y303 L306	P274-R278 WeakPolarHBondContact O-CG 3.27Å; P274-Y303 HydrophobicContact CB-CD1 4.15Å; P274-Y303 HydrophobicContact CB-CE1 3.74Å; P274-Y303 WeakPolarHBondContact CB-O 3.42Å; P274-Y303 WeakPolarHBondContact CG-O 3.22Å; P274-L306 HydrophobicContact CG-CD2 4.34Å
275	V	74.8	Confident	71.2	Confident	101 Å²	101	67.3 Å²	67.3	61%	0.612	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-63.5	-47.9	179.3	-179.5	0	0	0	0	110.9	G273 L306	G273-V275 PolarHBondContact O-N 3.15Å; G273-V275 VanDerWaalsContact O-N 3.13Å; V275-L306 HydrophobicContact CG2-CD2 4.43Å
276	C	77.1	Confident	69	Low	81 Å²	81	71.6 Å²	71.6	55%	0.547	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-26.2	177.9	-63	0	0	0	0	113.1	L272 G273	L272-C276 HydrophobicContact CB-CB 3.93Å; L272-C276 HydrophobicContact CD1-CB 4.08Å; G273-C276 PolarHBondContact O-N 3.35Å
277	W	80	Confident	66.7	Low	66 Å²	66	74.9 Å²	74.9	25%	0.25	42%	0.417	C	S	.	.	S	Bend	trans	-119	63	-170	-69.3	102.2	0	0	0	112.4	K265 V269 G273 Y303 H328	K265-W277 HydrophobicContact CG-CH2 4.28Å; V269-W277 HydrophobicContact CG2-CB 4.3Å; V269-W277 HydrophobicContact CG2-CD2 3.84Å; V269-W277 HydrophobicContact CG2-CE3 4.38Å; V269-W277 HydrophobicContact CG2-CG 3.78Å; G273-W277 PolarHBondContact O-N 3.36Å; G273-W277 VanDerWaalsContact O-N 3.12Å; W277-Y303 WeakPolarHBondContact O-CE1 3.2Å; W277-Y303 PolarHBondContact O-OH 3.29Å; W277-Y303 VanDerWaalsContact O-OH 3.12Å; W277-H328 AromaticContact CE3-CE1 3.95Å; W277-H328 AromaticContact CE3-ND1 3.83Å; W277-H328 PolarHBondContact O-NE2 3.5Å
278	R	76.5	Confident	64.4	Low	153 Å²	153	72.6 Å²	72.6	58%	0.577	41%	0.407	S	S	*	.			trans	-67.3	147	179.4	-63.9	-177.6	-176	-171.4	0.7	112.3	P274	P274-R278 WeakPolarHBondContact O-CG 3.27Å
279	I	70.8	Confident	62.3	Low	25 Å²	25	76.9 Å²	76.9	13%	0.128	42%	0.424	C	S	.	.	S	Bend	trans	-93.4	-37.5	179	-58.8	172.8	0	0	0	111.6	L300 Y303 V323 P428	I279-L300 HydrophobicContact CD1-CG 4.42Å; I279-Y303 HydrophobicContact CD1-CD1 3.41Å; I279-Y303 VanDerWaalsContact CD1-CD1 3.41Å; I279-Y303 HydrophobicContact CD1-CE1 3.89Å; I279-Y303 HydrophobicContact CD1-CG 4.22Å; I279-Y303 HydrophobicContact CG1-CD1 3.96Å; I279-Y303 HydrophobicContact CG1-CE1 3.94Å; I279-V323 HydrophobicContact CD1-CG1 3.73Å; I279-V323 HydrophobicContact CD1-CG2 3.9Å; I279-V323 HydrophobicContact CG1-CG1 4.04Å; I279-P428 HydrophobicContact CG2-CB 3.67Å; I279-P428 HydrophobicContact CG2-CG 3.7Å
280	I	63.1	Low	60.2	Low	43 Å²	43	79.8 Å²	79.8	22%	0.221	44%	0.439	C	S	.	.	S	Bend	trans	-102	126.6	-174.4	-56	162.8	0	0	0	108.7	T282 F295	I280-T282 PolarHBondContact O-N 3.4Å; I280-F295 HydrophobicContact CD1-CD2 4.18Å; I280-F295 HydrophobicContact CD1-CE2 4.42Å; I280-F295 HydrophobicContact CG1-CD2 4.18Å; I280-F295 HydrophobicContact CG1-CE2 3.94Å
281	P	51.4	Low	58.2	Low	114 Å²	114	79.1 Å²	79.1	74%	0.74	44%	0.437	S	S	*	.			trans	-69.9	110.7	170.5	27.6	-30.1	0	0	0	108.9	G283	P281-G283 PolarHBondContact O-N 2.91Å
282	T	38.8	Very low	56.2	Low	105 Å²	105	75.3 Å²	75.3	64%	0.644	42%	0.424	S	S	*	.	S	Bend	trans	-56.4	119.1	172.5	48.2	0	0	0	0	109.9	I280	I280-T282 PolarHBondContact O-N 3.4Å
283	G	42.5	Very low	54.3	Low	62 Å²	62	76.8 Å²	76.8	64%	0.639	43%	0.428	S	S	*	.			trans	-179.8	-21.9	176.8	0	0	0	0	0	120.8	P281	P281-G283 PolarHBondContact O-N 2.91Å
284	D	35.1	Very low	52.5	Low	112 Å²	112	78.7 Å²	78.7	60%	0.599	44%	0.438	S	S	*	.			trans	-145.8	117	176.8	-85.7	-39.5	0	0	0	110.5	N286 V287 D288	D284-N286 PolarHBondContact O-N 3.49Å; D284-V287 HydrophobicContact CB-CB 4.08Å; D284-V287 HydrophobicContact CB-CG2 3.82Å; D284-V287 PolarHBondContact O-N 2.94Å; D284-D288 PolarHBondContact O-N 3.32Å
285	I	41.8	Very low	50.9	Low	149 Å²	149	78.8 Å²	78.8	76%	0.764	44%	0.436	S	S	*	.	H	α-helix	trans	-51.8	-29.9	-177	-62.3	164.9	0	0	0	112.3
286	N	41.5	Very low	49.5	Very low	121 Å²	121	79.3 Å²	79.3	65%	0.647	44%	0.436	S	S	*	.	H	α-helix	trans	-83.5	-29.5	177.6	-72.3	-2.9	0	0	0	113.8	D284 I290	D284-N286 PolarHBondContact O-N 3.49Å; N286-I290 WeakPolarHBondContact O-CD1 3.38Å; N286-I290 VanDerWaalsContact O-CG1 3.26Å; N286-I290 WeakPolarHBondContact O-CG1 2.95Å; N286-I290 PolarHBondContact O-N 3.47Å
287	V	41.9	Very low	48.5	Very low	83 Å²	83	77.2 Å²	77.2	50%	0.503	42%	0.422	S	S	.	.	H	α-helix	trans	-80.5	-33.8	177.6	-178.1	0	0	0	0	109.8	D284 E289 I290 S291	D284-V287 HydrophobicContact CB-CB 4.08Å; D284-V287 HydrophobicContact CB-CG2 3.82Å; D284-V287 PolarHBondContact O-N 2.94Å; V287-E289 PolarHBondContact O-N 3.18Å; V287-I290 PolarHBondContact O-N 3.41Å; V287-S291 WeakPolarHBondContact O-CA 3.46Å; V287-S291 WeakPolarHBondContact O-CB 3.35Å; V287-S291 PolarHBondContact O-N 3.13Å; V287-S291 PolarHBondContact O-OG 3.13Å
288	D	40.2	Very low	47.7	Very low	55 Å²	55	78.4 Å²	78.4	29%	0.294	44%	0.44	S	S	.	.	H	α-helix	trans	-62.5	-42	175.7	-69.1	-25.2	0	0	0	111.4	D284 S291 A292	D284-D288 PolarHBondContact O-N 3.32Å; D288-S291 WeakPolarHBondContact CA-OG 3.37Å; D288-S291 PolarHBondContact O-OG 3.16Å; D288-A292 WeakPolarHBondContact O-CB 3.49Å; D288-A292 PolarHBondContact O-N 2.85Å
289	E	41.4	Very low	47.4	Very low	111 Å²	111	71.9 Å²	71.9	52%	0.519	42%	0.417	S	S	.	.	H	α-helix	trans	-71.5	-37.6	178.7	-148.9	-168	157.9	0	0	112.9	V287 K293	V287-E289 PolarHBondContact O-N 3.18Å; E289-K293 VanDerWaalsContact O-CB 3.28Å; E289-K293 WeakPolarHBondContact O-CB 3.22Å; E289-K293 VanDerWaalsContact O-CG 3.24Å; E289-K293 WeakPolarHBondContact O-CG 3.43Å; E289-K293 PolarHBondContact O-N 3.27Å; E289-K293 IonicContact OE1-NZ 2.99Å; E289-K293 PolarHBondContact OE1-NZ 3.11Å
290	I	40.5	Very low	47.4	Very low	62 Å²	62	71 Å²	71	32%	0.318	41%	0.413	S	S	.	.	H	α-helix	trans	-72.1	-41.2	176.6	-66.8	169.3	0	0	0	110.4	N286 V287 K293 L294	N286-I290 WeakPolarHBondContact O-CD1 3.38Å; N286-I290 VanDerWaalsContact O-CG1 3.26Å; N286-I290 WeakPolarHBondContact O-CG1 2.95Å; N286-I290 PolarHBondContact O-N 3.47Å; V287-I290 PolarHBondContact O-N 3.41Å; I290-K293 PolarHBondContact O-N 2.97Å; I290-L294 VanDerWaalsContact O-CB 3.31Å; I290-L294 WeakPolarHBondContact O-CB 3.44Å; I290-L294 PolarHBondContact O-N 2.89Å
291	S	41.8	Very low	47.7	Very low	15 Å²	15	70.2 Å²	70.2	11%	0.105	41%	0.409	C	S	.	.	H	α-helix	trans	-70.7	-46.6	-179.4	73.3	0	0	0	0	110.2	V287 D288 K293 L294 F295	V287-S291 WeakPolarHBondContact O-CA 3.46Å; V287-S291 WeakPolarHBondContact O-CB 3.35Å; V287-S291 PolarHBondContact O-N 3.13Å; V287-S291 PolarHBondContact O-OG 3.13Å; D288-S291 WeakPolarHBondContact CA-OG 3.37Å; D288-S291 PolarHBondContact O-OG 3.16Å; S291-K293 VanDerWaalsContact C-N 3.29Å; S291-K293 PolarHBondContact O-N 2.88Å; S291-L294 CarbonylContact O-C 3.58Å; S291-L294 WeakPolarHBondContact O-CA 3.33Å; S291-L294 WeakPolarHBondContact O-CB 3.31Å; S291-L294 PolarHBondContact O-N 2.84Å; S291-F295 VanDerWaalsContact O-CB 3.26Å; S291-F295 WeakPolarHBondContact O-CB 3.3Å; S291-F295 WeakPolarHBondContact O-CD2 3.45Å; S291-F295 WeakPolarHBondContact O-CG 3.31Å; S291-F295 PolarHBondContact O-N 3.38Å
292	A	41.3	Very low	48.8	Very low	41 Å²	41	67.2 Å²	67.2	34%	0.339	39%	0.385	S	S	.	.	H	α-helix	trans	-55.8	-42.2	170.8	0	0	0	0	0	111.8	D288 L294 F295	D288-A292 WeakPolarHBondContact O-CB 3.49Å; D288-A292 PolarHBondContact O-N 2.85Å; A292-L294 VanDerWaalsContact C-N 3.34Å; A292-L294 PolarHBondContact O-N 2.86Å; A292-F295 PolarHBondContact O-N 3.37Å
293	K	39.9	Very low	50.7	Low	96 Å²	96	62.5 Å²	62.5	42%	0.417	36%	0.356	S	S	.	.	H	α-helix	trans	-65.3	-33.2	173	-78	172	-172	162	0	113	E289 I290 S291 Y505	E289-K293 VanDerWaalsContact O-CB 3.28Å; E289-K293 WeakPolarHBondContact O-CB 3.22Å; E289-K293 VanDerWaalsContact O-CG 3.24Å; E289-K293 WeakPolarHBondContact O-CG 3.43Å; E289-K293 PolarHBondContact O-N 3.27Å; E289-K293 IonicContact OE1-NZ 2.99Å; E289-K293 PolarHBondContact OE1-NZ 3.11Å; I290-K293 PolarHBondContact O-N 2.97Å; S291-K293 VanDerWaalsContact C-N 3.29Å; S291-K293 PolarHBondContact O-N 2.88Å; K293-Y505 WeakPolarHBondContact O-CE2 2.8Å; K293-Y505 PolarHBondContact O-OH 3.41Å
294	L	42.3	Very low	52.1	Low	40 Å²	40	61.7 Å²	61.7	21%	0.209	34%	0.34	C	S	.	.	H	α-helix	trans	-75.9	-26.2	175.7	-163.2	79.6	0	0	0	112	I290 S291 A292 N296 Y505 L518	I290-L294 VanDerWaalsContact O-CB 3.31Å; I290-L294 WeakPolarHBondContact O-CB 3.44Å; I290-L294 PolarHBondContact O-N 2.89Å; S291-L294 CarbonylContact O-C 3.58Å; S291-L294 WeakPolarHBondContact O-CA 3.33Å; S291-L294 WeakPolarHBondContact O-CB 3.31Å; S291-L294 PolarHBondContact O-N 2.84Å; A292-L294 VanDerWaalsContact C-N 3.34Å; A292-L294 PolarHBondContact O-N 2.86Å; L294-N296 VanDerWaalsContact C-N 3.35Å; L294-Y505 PolarHBondContact N-OH 3.5Å; L294-L518 HydrophobicContact CD1-CD1 3.8Å
295	F	45.7	Very low	53.9	Low	19 Å²	19	60.7 Å²	60.7	8%	0.083	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	4.2	-174.6	-77.6	-60.7	0	0	0	114.9	I280 S291 A292 S297 L300 P428 V429	I280-F295 HydrophobicContact CD1-CD2 4.18Å; I280-F295 HydrophobicContact CD1-CE2 4.42Å; I280-F295 HydrophobicContact CG1-CD2 4.18Å; I280-F295 HydrophobicContact CG1-CE2 3.94Å; S291-F295 VanDerWaalsContact O-CB 3.26Å; S291-F295 WeakPolarHBondContact O-CB 3.3Å; S291-F295 WeakPolarHBondContact O-CD2 3.45Å; S291-F295 WeakPolarHBondContact O-CG 3.31Å; S291-F295 PolarHBondContact O-N 3.38Å; A292-F295 PolarHBondContact O-N 3.37Å; F295-S297 PolarHBondContact O-N 3.01Å; F295-L300 HydrophobicContact CD1-CD2 3.71Å; F295-L300 HydrophobicContact CE1-CD2 4.2Å; F295-P428 HydrophobicContact CE1-CB 4.47Å; F295-P428 HydrophobicContact CE1-CG 3.82Å; F295-P428 HydrophobicContact CZ-CG 3.79Å; F295-V429 HydrophobicContact CD1-CB 4.3Å; F295-V429 HydrophobicContact CD1-CG2 2.98Å; F295-V429 HydrophobicContact CE1-CB 4.09Å; F295-V429 HydrophobicContact CE1-CG2 3.14Å; F295-V429 HydrophobicContact CG-CG2 4.13Å; F295-V429 HydrophobicContact CZ-CG2 4.41Å
296	N	45	Very low	55.1	Low	113 Å²	113	59 Å²	59	60%	0.604	33%	0.327	S	S	*	.			trans	-58.6	20.6	-175.5	-121.1	12.9	0	0	0	117	L294 S298 D301	L294-N296 VanDerWaalsContact C-N 3.35Å; N296-S298 PolarHBondContact O-N 3.44Å; N296-D301 WeakPolarHBondContact CA-OD2 3.26Å; N296-D301 PolarHBondContact OD1-OD2 3.35Å
297	S	56.3	Low	56.2	Low	37 Å²	37	59.5 Å²	59.5	26%	0.259	33%	0.33	S	S	.	.			trans	-61.8	108.6	147	178.1	0	0	0	0	106.9	F295 T299 L300	F295-S297 PolarHBondContact O-N 3.01Å; S297-T299 PolarHBondContact O-N 3.37Å; S297-T299 PolarHBondContact OG-OG1 3.32Å; S297-L300 PolarHBondContact O-N 3.36Å
298	S	64.5	Low	57.4	Low	90 Å²	90	59.2 Å²	59.2	63%	0.629	33%	0.328	S	S	*	.	H	α-helix	trans	-41.6	-32.7	179.8	53.8	0	0	0	0	113.9	N296 E302	N296-S298 PolarHBondContact O-N 3.44Å; S298-E302 WeakPolarHBondContact O-CB 3.3Å; S298-E302 PolarHBondContact O-N 3.06Å; S298-E302 VanDerWaalsContact O-N 3.1Å
299	T	69.9	Low	58.7	Low	16 Å²	16	61.4 Å²	61.4	10%	0.098	35%	0.348	C	S	.	.	H	α-helix	trans	-71.5	-33.7	179.1	59.2	0	0	0	0	115.9	S297 Y303 Y318	S297-T299 PolarHBondContact O-N 3.37Å; S297-T299 PolarHBondContact OG-OG1 3.32Å; T299-Y303 PolarHBondContact O-N 2.88Å; T299-Y318 HydrophobicContact CG2-CE1 3.99Å
300	L	71.5	Confident	59.9	Low	6 Å²	6	63.6 Å²	63.6	3%	0.031	36%	0.363	C	S	.	.	H	α-helix	trans	-78.6	-42	-179.9	-90.4	77.5	0	0	0	110.6	I279 F295 S297 E302 Y303 S304 F322 V429	I279-L300 HydrophobicContact CD1-CG 4.42Å; F295-L300 HydrophobicContact CD1-CD2 3.71Å; F295-L300 HydrophobicContact CE1-CD2 4.2Å; S297-L300 PolarHBondContact O-N 3.36Å; L300-E302 VanDerWaalsContact C-N 3.34Å; L300-Y303 PolarHBondContact O-N 3.22Å; L300-S304 PolarHBondContact O-N 3.47Å; L300-F322 HydrophobicContact CD1-CD1 4.36Å; L300-F322 HydrophobicContact CD1-CE1 3.71Å; L300-V429 HydrophobicContact CD2-CG2 3.85Å
301	D	69	Low	61.5	Low	28 Å²	28	62.8 Å²	62.8	15%	0.15	36%	0.358	C	S	.	.	H	α-helix	trans	-64.1	-42.6	175.2	-66.5	-25.2	0	0	0	110.5	N296 Y303 S304 N305	N296-D301 WeakPolarHBondContact CA-OD2 3.26Å; N296-D301 PolarHBondContact OD1-OD2 3.35Å; D301-Y303 PolarHBondContact O-N 3.45Å; D301-S304 PolarHBondContact O-N 2.92Å; D301-S304 VanDerWaalsContact O-N 3.1Å; D301-S304 PolarHBondContact O-OG 2.88Å; D301-N305 VanDerWaalsContact O-CG 3.3Å; D301-N305 PolarHBondContact O-N 3.46Å; D301-N305 PolarHBondContact O-ND2 3.37Å
302	E	73.7	Confident	63.3	Low	51 Å²	51	65.3 Å²	65.3	24%	0.238	38%	0.376	C	S	.	.	H	α-helix	trans	-59.1	-33.6	174.9	-166.7	-178.1	-179.3	0	0	112.6	S298 L300 Q311 S315 T319	S298-E302 WeakPolarHBondContact O-CB 3.3Å; S298-E302 PolarHBondContact O-N 3.06Å; S298-E302 VanDerWaalsContact O-N 3.1Å; L300-E302 VanDerWaalsContact C-N 3.34Å; E302-Q311 PolarHBondContact O-NE2 3.23Å; E302-S315 PolarHBondContact OE1-OG 2.99Å; E302-T319 HydrophobicContact CB-CG2 3.99Å; E302-T319 HydrophobicContact CG-CG2 3.92Å; E302-T319 WeakPolarHBondContact OE2-CG2 3.29Å
303	Y	78.4	Confident	65.2	Low	5 Å²	5	69.4 Å²	69.4	2%	0.02	40%	0.396	C	S	.	.	H	α-helix	trans	-74.7	-37.3	174.1	-179.8	-88.5	0	0	0	113.1	G273 P274 W277 I279 T299 L300 D301 N305 R320 V323	G273-Y303 PolarHBondContact O-OH 2.92Å; P274-Y303 HydrophobicContact CB-CD1 4.15Å; P274-Y303 HydrophobicContact CB-CE1 3.74Å; P274-Y303 WeakPolarHBondContact CB-O 3.42Å; P274-Y303 WeakPolarHBondContact CG-O 3.22Å; W277-Y303 WeakPolarHBondContact O-CE1 3.2Å; W277-Y303 PolarHBondContact O-OH 3.29Å; W277-Y303 VanDerWaalsContact O-OH 3.12Å; I279-Y303 HydrophobicContact CD1-CD1 3.41Å; I279-Y303 VanDerWaalsContact CD1-CD1 3.41Å; I279-Y303 HydrophobicContact CD1-CE1 3.89Å; I279-Y303 HydrophobicContact CD1-CG 4.22Å; I279-Y303 HydrophobicContact CG1-CD1 3.96Å; I279-Y303 HydrophobicContact CG1-CE1 3.94Å; T299-Y303 PolarHBondContact O-N 2.88Å; L300-Y303 PolarHBondContact O-N 3.22Å; D301-Y303 PolarHBondContact O-N 3.45Å; Y303-N305 VanDerWaalsContact C-N 3.32Å; Y303-R320 HydrophobicContact CD2-CG 4.05Å; Y303-R320 HydrophobicContact CE2-CB 4.27Å; Y303-R320 HydrophobicContact CE2-CG 3.84Å; Y303-V323 HydrophobicContact CD1-CG1 4.14Å; Y303-V323 HydrophobicContact CD1-CG2 4.12Å; Y303-V323 HydrophobicContact CD2-CB 3.94Å; Y303-V323 HydrophobicContact CD2-CG1 4.29Å; Y303-V323 HydrophobicContact CD2-CG2 3.78Å; Y303-V323 HydrophobicContact CE1-CG1 3.89Å; Y303-V323 HydrophobicContact CE2-CB 3.98Å; Y303-V323 HydrophobicContact CE2-CG1 4.03Å; Y303-V323 HydrophobicContact CE2-CG2 4.32Å; Y303-V323 HydrophobicContact CG-CB 4.2Å; Y303-V323 HydrophobicContact CG-CG1 4.34Å; Y303-V323 HydrophobicContact CG-CG2 3.65Å
304	S	73.5	Confident	67.3	Low	46 Å²	46	70.9 Å²	70.9	32%	0.322	41%	0.408	S	S	.	.	H	α-helix	trans	-71.1	-29.2	-179.7	75.2	0	0	0	0	112.7	L300 D301 L306	L300-S304 PolarHBondContact O-N 3.47Å; D301-S304 PolarHBondContact O-N 2.92Å; D301-S304 VanDerWaalsContact O-N 3.1Å; D301-S304 PolarHBondContact O-OG 2.88Å; S304-L306 PolarHBondContact O-N 3.48Å
305	N	72.5	Confident	69.2	Low	91 Å²	91	70.3 Å²	70.3	49%	0.487	41%	0.407	S	S	.	.			trans	-67.3	114.2	177.1	-73.6	-26.9	0	0	0	110.4	D301 Y303 D307	D301-N305 VanDerWaalsContact O-CG 3.3Å; D301-N305 PolarHBondContact O-N 3.46Å; D301-N305 PolarHBondContact O-ND2 3.37Å; Y303-N305 VanDerWaalsContact C-N 3.32Å; N305-D307 PolarHBondContact O-N 2.94Å
306	L	66.8	Low	71	Confident	114 Å²	114	70.9 Å²	70.9	60%	0.597	41%	0.411	S	S	*	.			trans	-72	-15.7	176	-75.4	156.1	0	0	0	112.6	P274 V275 S304 T308	P274-L306 HydrophobicContact CG-CD2 4.34Å; V275-L306 HydrophobicContact CG2-CD2 4.43Å; S304-L306 PolarHBondContact O-N 3.48Å; L306-T308 VanDerWaalsContact C-N 3.35Å; L306-T308 PolarHBondContact O-N 2.8Å
307	D	64.8	Low	73	Confident	131 Å²	131	69.5 Å²	69.5	70%	0.701	40%	0.403	S	S	*	.			trans	-74.7	82.3	179.3	-69.4	-16.7	0	0	0	111.6	N305 S309	N305-D307 PolarHBondContact O-N 2.94Å; D307-S309 VanDerWaalsContact C-N 3.29Å; D307-S309 PolarHBondContact O-N 3.36Å
308	T	66.9	Low	74.5	Confident	76 Å²	76	74 Å²	74	47%	0.466	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-79	-4.4	179.4	52.3	0	0	0	0	114.7	L306 N310 Q311 I316	L306-T308 VanDerWaalsContact C-N 3.35Å; L306-T308 PolarHBondContact O-N 2.8Å; T308-N310 VanDerWaalsContact C-N 3.3Å; T308-N310 PolarHBondContact O-N 3.02Å; T308-Q311 PolarHBondContact O-N 3.06Å; T308-I316 HydrophobicContact CG2-CD1 4.34Å
309	S	66.4	Low	75.5	Confident	101 Å²	101	69.9 Å²	69.9	71%	0.706	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-64.5	-29.6	-171.4	54.7	0	0	0	0	114.3	D307	D307-S309 VanDerWaalsContact C-N 3.29Å; D307-S309 PolarHBondContact O-N 3.36Å
310	N	67.9	Low	76.5	Confident	158 Å²	158	71.8 Å²	71.8	85%	0.845	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-100.6	-1.2	-175.1	-70.1	-13.1	0	0	0	114.2	T308	T308-N310 VanDerWaalsContact C-N 3.3Å; T308-N310 PolarHBondContact O-N 3.02Å
311	Q	73.4	Confident	77.4	Confident	44 Å²	44	74.8 Å²	74.8	21%	0.206	41%	0.408	C	S	.	.	S	Bend	trans	-100.4	146.1	-173.5	-70.7	178.1	12.1	0	0	112.4	E302 T308 I316	E302-Q311 PolarHBondContact O-NE2 3.23Å; T308-Q311 PolarHBondContact O-N 3.06Å; Q311-I316 HydrophobicContact CB-CD1 4.12Å; Q311-I316 HydrophobicContact CB-CG1 3.85Å
312	S	80	Confident	78.3	Confident	69 Å²	69	74.3 Å²	74.3	48%	0.483	40%	0.404	S	S	.	.			trans	-69.4	147	171.8	70.9	0	0	0	0	110.6	L314 S315 I316	S312-L314 PolarHBondContact O-N 2.92Å; S312-L314 VanDerWaalsContact O-N 3.15Å; S312-S315 PolarHBondContact N-OG 3.29Å; S312-S315 PolarHBondContact O-N 3.18Å; S312-S315 VanDerWaalsContact O-N 3.07Å; S312-S315 PolarHBondContact O-OG 3.48Å; S312-S315 VanDerWaalsContact OG-CB 3.25Å; S312-S315 WeakPolarHBondContact OG-CB 3.13Å; S312-S315 PolarHBondContact OG-N 2.9Å; S312-S315 PolarHBondContact OG-OG 3.05Å; S312-I316 WeakPolarHBondContact O-CG1 3.44Å; S312-I316 PolarHBondContact O-N 2.89Å
313	T	81.7	Confident	78.9	Confident	126 Å²	126	71.9 Å²	71.9	77%	0.773	39%	0.393	S	S	*	.	H	α-helix	trans	-56.5	-32.7	174.8	51.5	0	0	0	0	112.5	L317	T313-L317 WeakPolarHBondContact O-CB 2.96Å; T313-L317 PolarHBondContact O-N 3.48Å
314	L	83.5	Confident	79.4	Confident	128 Å²	128	71.7 Å²	71.7	67%	0.67	39%	0.392	S	S	*	.	H	α-helix	trans	-70.5	-40.4	176.6	-170.3	70.2	0	0	0	112.4	S312 L317 Y318	S312-L314 PolarHBondContact O-N 2.92Å; S312-L314 VanDerWaalsContact O-N 3.15Å; L314-L317 PolarHBondContact O-N 3.36Å; L314-Y318 WeakPolarHBondContact O-CB 3.3Å; L314-Y318 PolarHBondContact O-N 3.2Å
315	S	81.6	Confident	80.3	Confident	27 Å²	27	70.7 Å²	70.7	19%	0.189	38%	0.384	C	S	.	.	H	α-helix	trans	-67.2	-40.3	176.8	67	0	0	0	0	111.2	E302 S312 L317 Y318 T319	E302-S315 PolarHBondContact OE1-OG 2.99Å; S312-S315 PolarHBondContact N-OG 3.29Å; S312-S315 PolarHBondContact O-N 3.18Å; S312-S315 VanDerWaalsContact O-N 3.07Å; S312-S315 PolarHBondContact O-OG 3.48Å; S312-S315 VanDerWaalsContact OG-CB 3.25Å; S312-S315 WeakPolarHBondContact OG-CB 3.13Å; S312-S315 PolarHBondContact OG-N 2.9Å; S312-S315 PolarHBondContact OG-OG 3.05Å; S315-L317 PolarHBondContact O-N 3.19Å; S315-Y318 PolarHBondContact O-N 3.45Å; S315-T319 WeakPolarHBondContact O-CG2 3.38Å; S315-T319 PolarHBondContact O-N 3.4Å; S315-T319 PolarHBondContact O-OG1 3.36Å
316	I	84.2	Confident	80.9	Confident	31 Å²	31	67.6 Å²	67.6	16%	0.159	37%	0.366	C	S	.	.	H	α-helix	trans	-59.6	-45.9	172.8	-62.8	167.8	0	0	0	110.9	T308 Q311 S312 Y318 T319 R320	T308-I316 HydrophobicContact CG2-CD1 4.34Å; Q311-I316 HydrophobicContact CB-CD1 4.12Å; Q311-I316 HydrophobicContact CB-CG1 3.85Å; S312-I316 WeakPolarHBondContact O-CG1 3.44Å; S312-I316 PolarHBondContact O-N 2.89Å; I316-Y318 VanDerWaalsContact C-N 3.33Å; I316-Y318 PolarHBondContact O-N 3.33Å; I316-T319 PolarHBondContact O-OG1 3.08Å; I316-T319 VanDerWaalsContact O-OG1 3.05Å; I316-R320 HydrophobicContact CG2-CG 4.4Å; I316-R320 WeakPolarHBondContact O-CB 3.35Å; I316-R320 WeakPolarHBondContact O-CG 3.31Å; I316-R320 PolarHBondContact O-N 2.95Å; I316-R320 VanDerWaalsContact O-N 3.07Å
317	L	87.6	Confident	81.8	Confident	84 Å²	84	62.2 Å²	62.2	44%	0.44	34%	0.337	S	S	.	.	H	α-helix	trans	-62.7	-42.6	177.7	-178.9	64.7	0	0	0	111.3	I270 T313 L314 S315 L321	I270-L317 HydrophobicContact CG2-CD1 3.77Å; T313-L317 WeakPolarHBondContact O-CB 2.96Å; T313-L317 PolarHBondContact O-N 3.48Å; L314-L317 PolarHBondContact O-N 3.36Å; S315-L317 PolarHBondContact O-N 3.19Å; L317-L321 WeakPolarHBondContact O-CB 3.4Å; L317-L321 PolarHBondContact O-N 2.99Å
318	Y	87.4	Confident	82.9	Confident	132 Å²	132	56.3 Å²	56.3	52%	0.518	31%	0.306	S	S	.	.	H	α-helix	trans	-62.6	-49	179	175.7	-98.7	0	0	0	112.2	T299 L314 S315 I316 R320 L321 F322	T299-Y318 HydrophobicContact CG2-CE1 3.99Å; L314-Y318 WeakPolarHBondContact O-CB 3.3Å; L314-Y318 PolarHBondContact O-N 3.2Å; S315-Y318 PolarHBondContact O-N 3.45Å; I316-Y318 VanDerWaalsContact C-N 3.33Å; I316-Y318 PolarHBondContact O-N 3.33Å; Y318-R320 PolarHBondContact O-N 3Å; Y318-L321 PolarHBondContact O-N 3.13Å; Y318-F322 VanDerWaalsContact O-CB 3.32Å; Y318-F322 WeakPolarHBondContact O-CB 3.48Å; Y318-F322 PolarHBondContact O-N 3.48Å
319	T	85.6	Confident	83.9	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-42.7	179.4	55.4	0	0	0	0	111.4	E302 S315 I316 F322 V323	E302-T319 HydrophobicContact CB-CG2 3.99Å; E302-T319 HydrophobicContact CG-CG2 3.92Å; E302-T319 WeakPolarHBondContact OE2-CG2 3.29Å; S315-T319 WeakPolarHBondContact O-CG2 3.38Å; S315-T319 PolarHBondContact O-N 3.4Å; S315-T319 PolarHBondContact O-OG1 3.36Å; I316-T319 PolarHBondContact O-OG1 3.08Å; I316-T319 VanDerWaalsContact O-OG1 3.05Å; T319-F322 PolarHBondContact O-N 3.04Å; T319-V323 WeakPolarHBondContact O-CG2 3.18Å; T319-V323 PolarHBondContact O-N 3.23Å
320	R	89.9	Confident	84.9	Confident	56 Å²	56	48.1 Å²	48.1	21%	0.211	25%	0.252	C	S	.	.	H	α-helix	trans	-65.6	-40.8	176.8	-67.6	-177.9	-177.9	-159.8	-0.4	113	I270 I271 Y303 I316 Y318 G324	I270-R320 WeakPolarHBondContact O-CD 3.34Å; I270-R320 PolarHBondContact O-NH1 3.13Å; I271-R320 PolarHBondContact O-NH1 3.21Å; Y303-R320 HydrophobicContact CD2-CG 4.05Å; Y303-R320 HydrophobicContact CE2-CB 4.27Å; Y303-R320 HydrophobicContact CE2-CG 3.84Å; I316-R320 HydrophobicContact CG2-CG 4.4Å; I316-R320 WeakPolarHBondContact O-CB 3.35Å; I316-R320 WeakPolarHBondContact O-CG 3.31Å; I316-R320 PolarHBondContact O-N 2.95Å; I316-R320 VanDerWaalsContact O-N 3.07Å; Y318-R320 PolarHBondContact O-N 3Å; R320-G324 PolarHBondContact O-N 3.11Å
321	L	90.8	Very high	85.8	Confident	69 Å²	69	44.1 Å²	44.1	36%	0.361	23%	0.228	S	C	.	.	H	α-helix	trans	-64.6	-43.8	175.2	179.6	149.8	0	0	0	110.6	I270 L317 Y318 G324 L325	I270-L321 HydrophobicContact CD1-CB 4.5Å; L317-L321 WeakPolarHBondContact O-CB 3.4Å; L317-L321 PolarHBondContact O-N 2.99Å; Y318-L321 PolarHBondContact O-N 3.13Å; L321-G324 PolarHBondContact O-N 3.36Å; L321-L325 HydrophobicContact CD2-CD1 3.41Å; L321-L325 VanDerWaalsContact CD2-CD1 3.41Å; L321-L325 HydrophobicContact CD2-CG 4.22Å; L321-L325 HydrophobicContact CG-CD1 4.01Å; L321-L325 HydrophobicContact CG-CG 4.39Å; L321-L325 WeakPolarHBondContact O-CB 3.47Å; L321-L325 VanDerWaalsContact O-CG 3.24Å; L321-L325 WeakPolarHBondContact O-CG 3.49Å; L321-L325 PolarHBondContact O-N 3.46Å
322	F	87.9	Confident	86.6	Confident	18 Å²	18	45.1 Å²	45.1	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-52.8	177.2	-178.8	-87.6	0	0	0	111.5	L300 Y318 T319 G324 L325 F326 A432 M436	L300-F322 HydrophobicContact CD1-CD1 4.36Å; L300-F322 HydrophobicContact CD1-CE1 3.71Å; Y318-F322 VanDerWaalsContact O-CB 3.32Å; Y318-F322 WeakPolarHBondContact O-CB 3.48Å; Y318-F322 PolarHBondContact O-N 3.48Å; T319-F322 PolarHBondContact O-N 3.04Å; F322-G324 PolarHBondContact O-N 3.01Å; F322-L325 PolarHBondContact O-N 3.26Å; F322-F326 HydrophobicContact CD1-CD2 4.4Å; F322-F326 AromaticContact CD2-CD2 3.43Å; F322-F326 HydrophobicContact CD2-CD2 3.43Å; F322-F326 VanDerWaalsContact CD2-CD2 3.43Å; F322-F326 AromaticContact CD2-CE2 3.68Å; F322-F326 HydrophobicContact CD2-CE2 3.68Å; F322-F326 HydrophobicContact CE1-CD2 4.46Å; F322-F326 AromaticContact CE2-CD2 3.51Å; F322-F326 HydrophobicContact CE2-CD2 3.51Å; F322-F326 AromaticContact CE2-CE2 3.83Å; F322-F326 HydrophobicContact CE2-CE2 3.83Å; F322-F326 HydrophobicContact CE2-CG 4.47Å; F322-F326 AromaticContact CG-CD2 3.9Å; F322-F326 HydrophobicContact CG-CD2 3.9Å; F322-F326 HydrophobicContact CG-CE2 4.49Å; F322-F326 HydrophobicContact CZ-CD2 4.05Å; F322-F326 WeakPolarHBondContact O-CB 3.12Å; F322-F326 WeakPolarHBondContact O-CD2 3.14Å; F322-F326 PolarHBondContact O-N 2.91Å; F322-A432 HydrophobicContact CE1-CB 4.32Å; F322-A432 HydrophobicContact CZ-CB 4.4Å; F322-M436 HydrophobicContact CE2-SD 3.81Å; F322-M436 HydrophobicContact CZ-SD 3.97Å
323	V	86.8	Confident	87.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-40.9	179.4	172.9	0	0	0	0	111.3	I279 Y303 T319 V327 H328	I279-V323 HydrophobicContact CD1-CG1 3.73Å; I279-V323 HydrophobicContact CD1-CG2 3.9Å; I279-V323 HydrophobicContact CG1-CG1 4.04Å; Y303-V323 HydrophobicContact CD1-CG1 4.14Å; Y303-V323 HydrophobicContact CD1-CG2 4.12Å; Y303-V323 HydrophobicContact CD2-CB 3.94Å; Y303-V323 HydrophobicContact CD2-CG1 4.29Å; Y303-V323 HydrophobicContact CD2-CG2 3.78Å; Y303-V323 HydrophobicContact CE1-CG1 3.89Å; Y303-V323 HydrophobicContact CE2-CB 3.98Å; Y303-V323 HydrophobicContact CE2-CG1 4.03Å; Y303-V323 HydrophobicContact CE2-CG2 4.32Å; Y303-V323 HydrophobicContact CG-CB 4.2Å; Y303-V323 HydrophobicContact CG-CG1 4.34Å; Y303-V323 HydrophobicContact CG-CG2 3.65Å; T319-V323 WeakPolarHBondContact O-CG2 3.18Å; T319-V323 PolarHBondContact O-N 3.23Å; V323-V327 HydrophobicContact CG1-CB 4.1Å; V323-V327 HydrophobicContact CG1-CG2 4.38Å; V323-V327 WeakPolarHBondContact O-CA 3.4Å; V323-V327 VanDerWaalsContact O-CB 3.32Å; V323-V327 WeakPolarHBondContact O-CB 3.27Å; V323-V327 PolarHBondContact O-N 3.38Å; V323-H328 PolarHBondContact O-N 2.97Å
324	G	89.2	Confident	87.5	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-45	176.3	0	0	0	0	0	113	L266 R320 L321 F322 G329	L266-G324 VanDerWaalsContact CD1-C 3.45Å; R320-G324 PolarHBondContact O-N 3.11Å; L321-G324 PolarHBondContact O-N 3.36Å; F322-G324 PolarHBondContact O-N 3.01Å; G324-G329 WeakPolarHBondContact O-CA 3.39Å; G324-G329 PolarHBondContact O-N 2.97Å
325	L	90.5	Very high	87.9	Confident	26 Å²	26	39 Å²	39	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-71.6	-49.8	179.9	-72.6	178.9	0	0	0	112.5	W262 L266 L321 F322	W262-L325 HydrophobicContact CH2-CD2 3.23Å; W262-L325 HydrophobicContact CZ2-CD2 3.63Å; W262-L325 HydrophobicContact CZ3-CD2 4.28Å; L266-L325 HydrophobicContact CD1-CD2 3.75Å; L266-L325 HydrophobicContact CD1-CG 3.85Å; L266-L325 HydrophobicContact CD2-CD2 3.61Å; L266-L325 HydrophobicContact CD2-CG 4.44Å; L266-L325 HydrophobicContact CG-CD2 4.32Å; L321-L325 HydrophobicContact CD2-CD1 3.41Å; L321-L325 VanDerWaalsContact CD2-CD1 3.41Å; L321-L325 HydrophobicContact CD2-CG 4.22Å; L321-L325 HydrophobicContact CG-CD1 4.01Å; L321-L325 HydrophobicContact CG-CG 4.39Å; L321-L325 WeakPolarHBondContact O-CB 3.47Å; L321-L325 VanDerWaalsContact O-CG 3.24Å; L321-L325 WeakPolarHBondContact O-CG 3.49Å; L321-L325 PolarHBondContact O-N 3.46Å; F322-L325 PolarHBondContact O-N 3.26Å
326	F	86	Confident	88.4	Confident	26 Å²	26	37.8 Å²	37.8	11%	0.114	18%	0.18	C	C	.	.	H	α-helix	trans	-99.9	-25.4	-162.4	-64.7	-59.4	0	0	0	114.2	F322 S330 A432 S435 M436 I439	F322-F326 HydrophobicContact CD1-CD2 4.4Å; F322-F326 AromaticContact CD2-CD2 3.43Å; F322-F326 HydrophobicContact CD2-CD2 3.43Å; F322-F326 VanDerWaalsContact CD2-CD2 3.43Å; F322-F326 AromaticContact CD2-CE2 3.68Å; F322-F326 HydrophobicContact CD2-CE2 3.68Å; F322-F326 HydrophobicContact CE1-CD2 4.46Å; F322-F326 AromaticContact CE2-CD2 3.51Å; F322-F326 HydrophobicContact CE2-CD2 3.51Å; F322-F326 AromaticContact CE2-CE2 3.83Å; F322-F326 HydrophobicContact CE2-CE2 3.83Å; F322-F326 HydrophobicContact CE2-CG 4.47Å; F322-F326 AromaticContact CG-CD2 3.9Å; F322-F326 HydrophobicContact CG-CD2 3.9Å; F322-F326 HydrophobicContact CG-CE2 4.49Å; F322-F326 HydrophobicContact CZ-CD2 4.05Å; F322-F326 WeakPolarHBondContact O-CB 3.12Å; F322-F326 WeakPolarHBondContact O-CD2 3.14Å; F322-F326 PolarHBondContact O-N 2.91Å; F326-S330 PolarHBondContact O-OG 3.06Å; F326-A432 HydrophobicContact CB-CB 4.07Å; F326-S435 WeakPolarHBondContact CD1-OG 3.36Å; F326-M436 HydrophobicContact CD1-CG 4.15Å; F326-M436 HydrophobicContact CD2-CG 4.44Å; F326-M436 HydrophobicContact CE1-CG 3.95Å; F326-M436 HydrophobicContact CE2-CG 4.29Å; F326-M436 HydrophobicContact CG-CG 4.37Å; F326-M436 HydrophobicContact CZ-CG 4.05Å; F326-I439 HydrophobicContact CD1-CD1 4.43Å; F326-I439 HydrophobicContact CE1-CD1 3.28Å; F326-I439 HydrophobicContact CE1-CG1 4.03Å; F326-I439 HydrophobicContact CZ-CD1 3.64Å
327	V	86.1	Confident	88.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-62.7	-178.8	-176.6	0	0	0	0	110.8	V323 S330 P428 A432	V323-V327 HydrophobicContact CG1-CB 4.1Å; V323-V327 HydrophobicContact CG1-CG2 4.38Å; V323-V327 WeakPolarHBondContact O-CA 3.4Å; V323-V327 VanDerWaalsContact O-CB 3.32Å; V323-V327 WeakPolarHBondContact O-CB 3.27Å; V323-V327 PolarHBondContact O-N 3.38Å; V327-S330 PolarHBondContact O-N 2.97Å; V327-S330 PolarHBondContact O-OG 2.96Å; V327-S330 VanDerWaalsContact O-OG 3.13Å; V327-P428 HydrophobicContact CG1-CB 3.54Å; V327-A432 HydrophobicContact CG2-CB 3.99Å
328	H	87.3	Confident	89.1	Confident	7 Å²	7	34.1 Å²	34.1	3%	0.032	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-76.2	-30.7	-177.8	-74.5	-53.4	0	0	0	111.9	K265 V269 W277 V323 S330 E331 S335	K265-H328 WeakPolarHBondContact CE-O 3.33Å; K265-H328 PolarHBondContact NZ-O 2.97Å; V269-H328 HydrophobicContact CG2-CB 3.94Å; W277-H328 AromaticContact CE3-CE1 3.95Å; W277-H328 AromaticContact CE3-ND1 3.83Å; W277-H328 PolarHBondContact O-NE2 3.5Å; V323-H328 PolarHBondContact O-N 2.97Å; H328-S330 PolarHBondContact O-N 3.4Å; H328-S330 VanDerWaalsContact O-N 3.15Å; H328-E331 PolarHBondContact O-N 3.38Å; H328-S335 PolarHBondContact O-OG 3.15Å
329	G	88.4	Confident	89.4	Confident	3 Å²	3	28 Å²	28	3%	0.031	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-64.8	-11.1	175.6	0	0	0	0	0	114.6	W262 G324 S335	W262-G329 PolarHBondContact NE1-O 3.18Å; G324-G329 WeakPolarHBondContact O-CA 3.39Å; G324-G329 PolarHBondContact O-N 2.97Å; G329-S335 WeakPolarHBondContact CA-OG 3.47Å; G329-S335 CarbonylContact O-C 3.6Å; G329-S335 WeakPolarHBondContact O-CB 3.49Å; G329-S335 PolarHBondContact O-OG 3.34Å
330	S	88.1	Confident	89.8	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.014	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-122.6	11.6	-178.3	58.3	0	0	0	0	114	F326 V327 H328 M423 P424	F326-S330 PolarHBondContact O-OG 3.06Å; V327-S330 PolarHBondContact O-N 2.97Å; V327-S330 PolarHBondContact O-OG 2.96Å; V327-S330 VanDerWaalsContact O-OG 3.13Å; H328-S330 PolarHBondContact O-N 3.4Å; H328-S330 VanDerWaalsContact O-N 3.15Å; S330-M423 WeakPolarHBondContact CB-SD 3.45Å; S330-P424 WeakPolarHBondContact O-CA 3.41Å
331	E	86.4	Confident	90	Very high	75 Å²	75	26.1 Å²	26.1	35%	0.35	14%	0.137	S	C	.	.	S	Bend	trans	-72.2	-32.7	-172.3	-177.5	-174.2	-159.1	0	0	114.5	K265 H328 P424	K265-E331 IonicContact NZ-OE2 3.56Å; K265-E331 PolarHBondContact NZ-OE2 3.32Å; H328-E331 PolarHBondContact O-N 3.38Å; E331-P424 WeakPolarHBondContact O-CB 3.34Å
332	T	89.7	Confident	90.2	Very high	64 Å²	64	25.4 Å²	25.4	39%	0.393	13%	0.131	S	C	.	.	S	Bend	trans	-129.1	155.3	-179.4	65.8	0	0	0	0	110.2	L334 S335 V336	T332-L334 PolarHBondContact O-N 3.42Å; T332-S335 CarbonylContact O-C 3.6Å; T332-S335 WeakPolarHBondContact O-CA 3.22Å; T332-S335 VanDerWaalsContact O-CB 3.32Å; T332-S335 WeakPolarHBondContact O-CB 3.38Å; T332-S335 PolarHBondContact O-N 3.21Å; T332-S335 WeakPolarHBondContact OG1-CB 3.46Å; T332-S335 PolarHBondContact OG1-N 3.32Å; T332-V336 WeakPolarHBondContact O-CG2 3.24Å; T332-V336 PolarHBondContact O-N 3.15Å
333	W	90.7	Very high	90.5	Very high	85 Å²	85	25.3 Å²	25.3	32%	0.322	13%	0.131	S	C	.	.	H	α-helix	trans	-57.6	-34.3	174.9	-74.7	109.8	0	0	0	112.9	S335 V336 C337 A418 F419 D422 P424	W333-S335 VanDerWaalsContact C-N 3.33Å; W333-S335 PolarHBondContact O-N 3.18Å; W333-V336 HydrophobicContact CE3-CB 4.33Å; W333-V336 HydrophobicContact CE3-CG1 4.21Å; W333-V336 HydrophobicContact CZ3-CG1 4.21Å; W333-V336 PolarHBondContact O-N 3.31Å; W333-C337 WeakPolarHBondContact O-CB 3.4Å; W333-C337 PolarHBondContact O-N 2.77Å; W333-C337 PolarHBondContact O-SG 3.46Å; W333-A418 HydrophobicContact CZ3-CB 4.4Å; W333-F419 HydrophobicContact CD2-CE1 4.46Å; W333-F419 HydrophobicContact CE3-CD1 4.37Å; W333-F419 AromaticContact CE3-CE1 3.9Å; W333-F419 HydrophobicContact CE3-CE1 3.9Å; W333-F419 HydrophobicContact CE3-CZ 4.27Å; W333-F419 AromaticContact CH2-CD1 3.41Å; W333-F419 HydrophobicContact CH2-CD1 3.41Å; W333-F419 VanDerWaalsContact CH2-CD1 3.41Å; W333-F419 AromaticContact CH2-CE1 3.74Å; W333-F419 HydrophobicContact CH2-CE1 3.74Å; W333-F419 HydrophobicContact CH2-CG 4.13Å; W333-F419 HydrophobicContact CZ2-CD1 4.13Å; W333-F419 HydrophobicContact CZ2-CE1 4.27Å; W333-F419 AromaticContact CZ3-CD1 3.53Å; W333-F419 HydrophobicContact CZ3-CD1 3.53Å; W333-F419 AromaticContact CZ3-CE1 3.5Å; W333-F419 HydrophobicContact CZ3-CE1 3.5Å; W333-F419 HydrophobicContact CZ3-CG 4.08Å; W333-F419 HydrophobicContact CZ3-CZ 4.05Å; W333-D422 WeakPolarHBondContact CZ2-OD1 3.3Å; W333-P424 HydrophobicContact CD2-CG 3.73Å; W333-P424 HydrophobicContact CE3-CG 4.2Å; W333-P424 HydrophobicContact CG-CG 3.99Å; W333-P424 HydrophobicContact CH2-CG 4.42Å; W333-P424 HydrophobicContact CZ2-CG 4.04Å
334	L	90.4	Very high	90.9	Very high	104 Å²	104	25.5 Å²	25.5	55%	0.545	13%	0.133	S	C	.	.	H	α-helix	trans	-61.1	-43.8	173.1	-172.7	71.5	0	0	0	111.4	L258 T332 C337 G338	L258-L334 HydrophobicContact CD2-CD1 3.35Å; L258-L334 HydrophobicContact CD2-CG 4.29Å; T332-L334 PolarHBondContact O-N 3.42Å; L334-C337 PolarHBondContact O-N 3.44Å; L334-G338 PolarHBondContact O-N 3.5Å
335	S	90.7	Very high	91.1	Very high	7 Å²	7	27.3 Å²	27.3	5%	0.049	15%	0.147	C	C	.	.	H	α-helix	trans	-65.9	-41.1	176	-163.9	0	0	0	0	111.7	H328 G329 T332 W333 G338 A339	H328-S335 PolarHBondContact O-OG 3.15Å; G329-S335 WeakPolarHBondContact CA-OG 3.47Å; G329-S335 CarbonylContact O-C 3.6Å; G329-S335 WeakPolarHBondContact O-CB 3.49Å; G329-S335 PolarHBondContact O-OG 3.34Å; T332-S335 CarbonylContact O-C 3.6Å; T332-S335 WeakPolarHBondContact O-CA 3.22Å; T332-S335 VanDerWaalsContact O-CB 3.32Å; T332-S335 WeakPolarHBondContact O-CB 3.38Å; T332-S335 PolarHBondContact O-N 3.21Å; T332-S335 WeakPolarHBondContact OG1-CB 3.46Å; T332-S335 PolarHBondContact OG1-N 3.32Å; W333-S335 VanDerWaalsContact C-N 3.33Å; W333-S335 PolarHBondContact O-N 3.18Å; S335-G338 PolarHBondContact O-N 3.13Å; S335-A339 WeakPolarHBondContact O-CB 3.35Å; S335-A339 PolarHBondContact O-N 2.89Å
336	V	92	Very high	91.3	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-43.3	176.5	171.2	0	0	0	0	111.5	T332 W333 A339 A340 F414 L415 A418 M423 P424	T332-V336 WeakPolarHBondContact O-CG2 3.24Å; T332-V336 PolarHBondContact O-N 3.15Å; W333-V336 HydrophobicContact CE3-CB 4.33Å; W333-V336 HydrophobicContact CE3-CG1 4.21Å; W333-V336 HydrophobicContact CZ3-CG1 4.21Å; W333-V336 PolarHBondContact O-N 3.31Å; V336-A339 WeakPolarHBondContact O-CB 3.13Å; V336-A339 PolarHBondContact O-N 3.41Å; V336-A340 WeakPolarHBondContact O-CB 3.38Å; V336-A340 PolarHBondContact O-N 3.34Å; V336-F414 HydrophobicContact CG1-CE1 4.41Å; V336-L415 HydrophobicContact CG1-CD2 4.14Å; V336-A418 HydrophobicContact CG1-CB 3.46Å; V336-A418 VanDerWaalsContact CG1-CB 3.46Å; V336-M423 HydrophobicContact CG2-CB 4.45Å; V336-M423 HydrophobicContact CG2-SD 4.31Å; V336-P424 HydrophobicContact CG2-CG 3.99Å
337	C	93.3	Very high	91.7	Very high	38 Å²	38	29.1 Å²	29.1	26%	0.257	16%	0.159	S	C	.	.	H	α-helix	trans	-65.5	-39.7	175.5	-67.8	0	0	0	0	112.1	L258 W333 L334 A340 A341	L258-C337 HydrophobicContact CD1-CB 4.04Å; W333-C337 WeakPolarHBondContact O-CB 3.4Å; W333-C337 PolarHBondContact O-N 2.77Å; W333-C337 PolarHBondContact O-SG 3.46Å; L334-C337 PolarHBondContact O-N 3.44Å; C337-A340 PolarHBondContact O-N 2.9Å; C337-A341 PolarHBondContact O-N 3.43Å
338	G	93.5	Very high	92.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.1	-39.3	172.9	0	0	0	0	0	113.1	L258 L334 S335 A341 F342	L258-G338 WeakPolarHBondContact O-CA 3.35Å; L334-G338 PolarHBondContact O-N 3.5Å; S335-G338 PolarHBondContact O-N 3.13Å; G338-A341 PolarHBondContact O-N 3.04Å; G338-F342 WeakPolarHBondContact O-CB 3.37Å; G338-F342 PolarHBondContact O-N 3.5Å
339	A	93.8	Very high	92.5	Very high	3 Å²	3	35.9 Å²	35.9	3%	0.025	20%	0.196	C	C	.	.	H	α-helix	trans	-61.6	-44.2	172.6	0	0	0	0	0	111.2	W262 S335 V336 A341 F342 F343 F414	W262-A339 HydrophobicContact CZ2-CB 4.27Å; S335-A339 WeakPolarHBondContact O-CB 3.35Å; S335-A339 PolarHBondContact O-N 2.89Å; V336-A339 WeakPolarHBondContact O-CB 3.13Å; V336-A339 PolarHBondContact O-N 3.41Å; A339-A341 PolarHBondContact O-N 3.05Å; A339-F342 PolarHBondContact O-N 3.42Å; A339-F343 HydrophobicContact CB-CD2 4.25Å; A339-F343 HydrophobicContact CB-CE2 4.17Å; A339-F343 WeakPolarHBondContact O-CB 3.45Å; A339-F343 WeakPolarHBondContact O-CD2 3.46Å; A339-F343 PolarHBondContact O-N 3.31Å; A339-F414 HydrophobicContact CB-CE1 3.88Å; A339-F414 HydrophobicContact CB-CZ 4.23Å
340	A	94.8	Very high	92.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-60.3	-45.3	177.5	0	0	0	0	0	112.1	V336 C337 G344 A411 F414 L415	V336-A340 WeakPolarHBondContact O-CB 3.38Å; V336-A340 PolarHBondContact O-N 3.34Å; C337-A340 PolarHBondContact O-N 2.9Å; A340-G344 PolarHBondContact O-N 3.3Å; A340-A411 HydrophobicContact CB-CB 4.46Å; A340-A411 WeakPolarHBondContact O-CB 3.47Å; A340-F414 HydrophobicContact CB-CB 4.38Å; A340-F414 HydrophobicContact CB-CD1 3.82Å; A340-L415 HydrophobicContact CB-CD1 4.27Å; A340-L415 HydrophobicContact CB-CD2 3.87Å; A340-L415 HydrophobicContact CB-CG 3.63Å
341	A	93.7	Very high	93.2	Very high	18 Å²	18	39.9 Å²	39.9	15%	0.149	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-44.1	175.9	0	0	0	0	0	111.7	P255 M259 C337 G338 A339 G344 A345	P255-A341 HydrophobicContact CB-CB 4.27Å; P255-A341 WeakPolarHBondContact O-CB 3.18Å; M259-A341 HydrophobicContact CB-CB 4.26Å; C337-A341 PolarHBondContact O-N 3.43Å; G338-A341 PolarHBondContact O-N 3.04Å; A339-A341 PolarHBondContact O-N 3.05Å; A341-G344 PolarHBondContact O-N 3.07Å; A341-A345 PolarHBondContact O-N 2.98Å
342	F	94.9	Very high	93.6	Very high	55 Å²	55	39.2 Å²	39.2	24%	0.241	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-51.4	177.3	-179.5	-93.5	0	0	0	112.3	M259 W262 G338 A339 G344 A345 L346	M259-F342 HydrophobicContact CG-CB 4Å; M259-F342 HydrophobicContact CG-CD2 3.92Å; M259-F342 HydrophobicContact CG-CG 4.47Å; M259-F342 HydrophobicContact SD-CD2 4.4Å; W262-F342 HydrophobicContact CD2-CB 4.42Å; W262-F342 HydrophobicContact CE3-CB 3.76Å; W262-F342 HydrophobicContact CE3-CD1 4.08Å; W262-F342 AromaticContact CE3-CD2 3.87Å; W262-F342 HydrophobicContact CE3-CD2 3.87Å; W262-F342 HydrophobicContact CE3-CE2 4.49Å; W262-F342 AromaticContact CE3-CG 3.63Å; W262-F342 HydrophobicContact CE3-CG 3.63Å; W262-F342 HydrophobicContact CH2-CB 4.44Å; W262-F342 AromaticContact CH2-CD1 3.46Å; W262-F342 HydrophobicContact CH2-CD1 3.46Å; W262-F342 VanDerWaalsContact CH2-CD1 3.46Å; W262-F342 AromaticContact CH2-CE1 3.75Å; W262-F342 HydrophobicContact CH2-CE1 3.75Å; W262-F342 AromaticContact CH2-CG 3.91Å; W262-F342 HydrophobicContact CH2-CG 3.91Å; W262-F342 HydrophobicContact CH2-CZ 4.41Å; W262-F342 HydrophobicContact CZ3-CB 3.8Å; W262-F342 AromaticContact CZ3-CD1 3.22Å; W262-F342 HydrophobicContact CZ3-CD1 3.22Å; W262-F342 AromaticContact CZ3-CD2 3.53Å; W262-F342 HydrophobicContact CZ3-CD2 3.53Å; W262-F342 AromaticContact CZ3-CE1 3.55Å; W262-F342 HydrophobicContact CZ3-CE1 3.55Å; W262-F342 AromaticContact CZ3-CE2 3.83Å; W262-F342 HydrophobicContact CZ3-CE2 3.83Å; W262-F342 AromaticContact CZ3-CG 3.2Å; W262-F342 HydrophobicContact CZ3-CG 3.2Å; W262-F342 AromaticContact CZ3-CZ 3.84Å; W262-F342 HydrophobicContact CZ3-CZ 3.84Å; G338-F342 WeakPolarHBondContact O-CB 3.37Å; G338-F342 PolarHBondContact O-N 3.5Å; A339-F342 PolarHBondContact O-N 3.42Å; F342-G344 VanDerWaalsContact C-N 3.31Å; F342-G344 PolarHBondContact O-N 3.45Å; F342-A345 PolarHBondContact O-N 3.37Å; F342-L346 HydrophobicContact CE1-CD2 4.39Å; F342-L346 WeakPolarHBondContact O-CB 3.27Å; F342-L346 PolarHBondContact O-N 3.09Å
343	F	94.2	Very high	93.8	Very high	16 Å²	16	40.4 Å²	40.4	7%	0.07	22%	0.22	C	C	.	.	H	α-helix	trans	-68.5	-30.8	179.3	-70.1	-57.8	0	0	0	112.4	W262 A339 L346 A347 F414 I439 L442	W262-F343 HydrophobicContact CH2-CZ 4.33Å; W262-F343 HydrophobicContact CZ2-CE2 4.33Å; W262-F343 HydrophobicContact CZ2-CZ 4.35Å; A339-F343 HydrophobicContact CB-CD2 4.25Å; A339-F343 HydrophobicContact CB-CE2 4.17Å; A339-F343 WeakPolarHBondContact O-CB 3.45Å; A339-F343 WeakPolarHBondContact O-CD2 3.46Å; A339-F343 PolarHBondContact O-N 3.31Å; F343-L346 HydrophobicContact CD1-CD2 4.26Å; F343-L346 PolarHBondContact O-N 3.36Å; F343-A347 VanDerWaalsContact O-CB 3.27Å; F343-A347 WeakPolarHBondContact O-CB 3.41Å; F343-A347 PolarHBondContact O-N 3.15Å; F343-F414 HydrophobicContact CD2-CD2 4.35Å; F343-F414 AromaticContact CD2-CE2 3.98Å; F343-F414 HydrophobicContact CD2-CE2 3.98Å; F343-F414 HydrophobicContact CD2-CZ 4.12Å; F343-F414 HydrophobicContact CE2-CE2 4.21Å; F343-F414 HydrophobicContact CE2-CZ 4.19Å; F343-I439 HydrophobicContact CD1-CD1 4.36Å; F343-I439 HydrophobicContact CE1-CD1 3.55Å; F343-I439 HydrophobicContact CE1-CG1 4.23Å; F343-I439 HydrophobicContact CE2-CD1 4.31Å; F343-I439 HydrophobicContact CZ-CD1 3.54Å; F343-I439 HydrophobicContact CZ-CG1 4.17Å; F343-L442 HydrophobicContact CB-CD1 3.68Å; F343-L442 HydrophobicContact CG-CD1 4.22Å
344	G	94.4	Very high	94	Very high	4 Å²	4	37.7 Å²	37.7	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-45.8	170.1	0	0	0	0	0	112.3	A340 A341 F342 A347 T348 G407	A340-G344 PolarHBondContact O-N 3.3Å; A341-G344 PolarHBondContact O-N 3.07Å; F342-G344 VanDerWaalsContact C-N 3.31Å; F342-G344 PolarHBondContact O-N 3.45Å; G344-A347 WeakPolarHBondContact O-CB 3.4Å; G344-A347 PolarHBondContact O-N 3.31Å; G344-T348 PolarHBondContact O-N 3.13Å; G344-G407 WeakPolarHBondContact CA-O 3.32Å; G344-G407 WeakPolarHBondContact O-CA 3.24Å
345	A	93.8	Very high	94.2	Very high	38 Å²	38	33.6 Å²	33.6	31%	0.314	19%	0.191	S	C	.	.	H	α-helix	trans	-67.3	-38	174.9	0	0	0	0	0	112.4	M259 A341 F342 A347 T348 I349	M259-A345 HydrophobicContact SD-CB 4.19Å; A341-A345 PolarHBondContact O-N 2.98Å; F342-A345 PolarHBondContact O-N 3.37Å; A345-A347 VanDerWaalsContact C-N 3.3Å; A345-A347 PolarHBondContact O-N 2.98Å; A345-T348 PolarHBondContact O-N 3.46Å; A345-T348 PolarHBondContact O-OG1 3.27Å; A345-I349 WeakPolarHBondContact O-CG1 2.95Å; A345-I349 PolarHBondContact O-N 3.23Å
346	L	94.4	Very high	94.3	Very high	84 Å²	84	38.2 Å²	38.2	44%	0.44	21%	0.21	S	C	.	.	H	α-helix	trans	-64.2	-37.6	174.7	-172.1	65.5	0	0	0	111.5	F342 F343 I349 F350	F342-L346 HydrophobicContact CE1-CD2 4.39Å; F342-L346 WeakPolarHBondContact O-CB 3.27Å; F342-L346 PolarHBondContact O-N 3.09Å; F343-L346 HydrophobicContact CD1-CD2 4.26Å; F343-L346 PolarHBondContact O-N 3.36Å; L346-I349 PolarHBondContact O-N 3.19Å; L346-F350 WeakPolarHBondContact O-CB 3.42Å; L346-F350 PolarHBondContact O-N 2.92Å
347	A	95.5	Very high	94.3	Very high	7 Å²	7	42.7 Å²	42.7	6%	0.058	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-41.3	176.3	0	0	0	0	0	112.5	F343 G344 A345 I349 F350 V351 C410 C446	F343-A347 VanDerWaalsContact O-CB 3.27Å; F343-A347 WeakPolarHBondContact O-CB 3.41Å; F343-A347 PolarHBondContact O-N 3.15Å; G344-A347 WeakPolarHBondContact O-CB 3.4Å; G344-A347 PolarHBondContact O-N 3.31Å; A345-A347 VanDerWaalsContact C-N 3.3Å; A345-A347 PolarHBondContact O-N 2.98Å; A347-I349 VanDerWaalsContact C-N 3.34Å; A347-I349 PolarHBondContact O-N 3.1Å; A347-F350 PolarHBondContact O-N 3.27Å; A347-V351 WeakPolarHBondContact O-CB 3.07Å; A347-V351 VanDerWaalsContact O-CG2 3.32Å; A347-V351 WeakPolarHBondContact O-CG2 3.35Å; A347-V351 PolarHBondContact O-N 2.81Å; A347-C410 HydrophobicContact CB-CB 3.88Å; A347-C446 WeakPolarHBondContact CB-SG 3.44Å
348	T	94.9	Very high	94.2	Very high	49 Å²	49	40.9 Å²	40.9	30%	0.301	22%	0.221	S	C	.	.	H	α-helix	trans	-64.1	-39.8	177	61.3	0	0	0	0	111.8	G344 A345 S352	G344-T348 PolarHBondContact O-N 3.13Å; A345-T348 PolarHBondContact O-N 3.46Å; A345-T348 PolarHBondContact O-OG1 3.27Å; T348-S352 VanDerWaalsContact O-CB 3.27Å; T348-S352 WeakPolarHBondContact O-CB 3.17Å; T348-S352 PolarHBondContact O-N 3.47Å; T348-S352 PolarHBondContact O-OG 2.86Å
349	I	95.5	Very high	94.1	Very high	100 Å²	100	41 Å²	41	51%	0.513	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-47.9	174.7	-63.8	168.9	0	0	0	109.9	A345 L346 A347 V351 S352 I353	A345-I349 WeakPolarHBondContact O-CG1 2.95Å; A345-I349 PolarHBondContact O-N 3.23Å; L346-I349 PolarHBondContact O-N 3.19Å; A347-I349 VanDerWaalsContact C-N 3.34Å; A347-I349 PolarHBondContact O-N 3.1Å; I349-V351 PolarHBondContact O-N 3.37Å; I349-S352 WeakPolarHBondContact O-CB 3.38Å; I349-S352 PolarHBondContact O-N 3.28Å; I349-I353 HydrophobicContact CG2-CD1 4.06Å; I349-I353 WeakPolarHBondContact O-CG1 3.4Å; I349-I353 PolarHBondContact O-N 2.91Å
350	F	95.2	Very high	94	Very high	85 Å²	85	43.9 Å²	43.9	37%	0.373	24%	0.24	S	C	.	.	H	α-helix	trans	-60.5	-47.3	179.7	179.3	-108.8	0	0	0	112.4	L346 A347 S352 I353 L354 C446	L346-F350 WeakPolarHBondContact O-CB 3.42Å; L346-F350 PolarHBondContact O-N 2.92Å; A347-F350 PolarHBondContact O-N 3.27Å; F350-S352 VanDerWaalsContact C-N 3.32Å; F350-S352 PolarHBondContact O-N 3.16Å; F350-I353 WeakPolarHBondContact O-CB 3.34Å; F350-I353 PolarHBondContact O-N 3.02Å; F350-L354 HydrophobicContact CD1-CD1 4.05Å; F350-L354 HydrophobicContact CE1-CD1 3.5Å; F350-L354 HydrophobicContact CE1-CG 4.33Å; F350-L354 HydrophobicContact CE2-CD1 4.5Å; F350-L354 HydrophobicContact CZ-CD1 3.76Å; F350-L354 HydrophobicContact CZ-CG 4.27Å; F350-L354 PolarHBondContact O-N 2.99Å; F350-C446 HydrophobicContact CD1-CB 3.74Å; F350-C446 HydrophobicContact CE1-CB 3.94Å
351	V	95.9	Very high	93.6	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.024	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-39.6	175.9	171.8	0	0	0	0	110.5	A347 I349 I353 L354 V355 L403 T406 C446 I450	A347-V351 WeakPolarHBondContact O-CB 3.07Å; A347-V351 VanDerWaalsContact O-CG2 3.32Å; A347-V351 WeakPolarHBondContact O-CG2 3.35Å; A347-V351 PolarHBondContact O-N 2.81Å; I349-V351 PolarHBondContact O-N 3.37Å; V351-I353 VanDerWaalsContact C-N 3.31Å; V351-I353 PolarHBondContact O-N 2.77Å; V351-L354 PolarHBondContact O-N 3.49Å; V351-L354 VanDerWaalsContact O-N 3.16Å; V351-V355 HydrophobicContact CG1-CG2 4.25Å; V351-V355 VanDerWaalsContact O-CG2 3.31Å; V351-V355 WeakPolarHBondContact O-CG2 3.18Å; V351-V355 PolarHBondContact O-N 3.26Å; V351-L403 HydrophobicContact CG1-CD2 3.66Å; V351-T406 HydrophobicContact CB-CG2 4.42Å; V351-T406 HydrophobicContact CG1-CG2 4Å; V351-T406 HydrophobicContact CG2-CG2 4.18Å; V351-C446 HydrophobicContact CG2-CB 3.78Å; V351-I450 HydrophobicContact CG1-CD1 4.06Å
352	S	94.2	Very high	93.4	Very high	61 Å²	61	53.1 Å²	53.1	43%	0.427	28%	0.282	S	S	.	.	H	α-helix	trans	-61.7	-37.2	175.6	-62.5	0	0	0	0	112.9	T348 I349 F350 F356	T348-S352 VanDerWaalsContact O-CB 3.27Å; T348-S352 WeakPolarHBondContact O-CB 3.17Å; T348-S352 PolarHBondContact O-N 3.47Å; T348-S352 PolarHBondContact O-OG 2.86Å; I349-S352 WeakPolarHBondContact O-CB 3.38Å; I349-S352 PolarHBondContact O-N 3.28Å; F350-S352 VanDerWaalsContact C-N 3.32Å; F350-S352 PolarHBondContact O-N 3.16Å; S352-F356 WeakPolarHBondContact O-CB 3.47Å; S352-F356 PolarHBondContact O-N 2.82Å
353	I	94.9	Very high	93	Very high	88 Å²	88	55 Å²	55	45%	0.451	30%	0.298	S	S	.	.	H	α-helix	trans	-65.3	-46.7	173.2	-67.4	165	0	0	0	110	I349 F350 V351 V355 F356 L357	I349-I353 HydrophobicContact CG2-CD1 4.06Å; I349-I353 WeakPolarHBondContact O-CG1 3.4Å; I349-I353 PolarHBondContact O-N 2.91Å; F350-I353 WeakPolarHBondContact O-CB 3.34Å; F350-I353 PolarHBondContact O-N 3.02Å; V351-I353 VanDerWaalsContact C-N 3.31Å; V351-I353 PolarHBondContact O-N 2.77Å; I353-V355 PolarHBondContact O-N 3.1Å; I353-F356 WeakPolarHBondContact O-CB 3.46Å; I353-F356 PolarHBondContact O-N 3.18Å; I353-L357 HydrophobicContact CG2-CD1 4.17Å; I353-L357 HydrophobicContact CG2-CG 4.44Å; I353-L357 WeakPolarHBondContact O-CG 3.43Å; I353-L357 PolarHBondContact O-N 3.46Å
354	L	94	Very high	92.7	Very high	29 Å²	29	55.3 Å²	55.3	15%	0.152	31%	0.306	C	S	.	.	H	α-helix	trans	-62.3	-41.2	177.9	-70.1	178.6	0	0	0	112.5	F350 V351 F356 L357 L358 I450	F350-L354 HydrophobicContact CD1-CD1 4.05Å; F350-L354 HydrophobicContact CE1-CD1 3.5Å; F350-L354 HydrophobicContact CE1-CG 4.33Å; F350-L354 HydrophobicContact CE2-CD1 4.5Å; F350-L354 HydrophobicContact CZ-CD1 3.76Å; F350-L354 HydrophobicContact CZ-CG 4.27Å; F350-L354 PolarHBondContact O-N 2.99Å; V351-L354 PolarHBondContact O-N 3.49Å; V351-L354 VanDerWaalsContact O-N 3.16Å; L354-F356 VanDerWaalsContact C-N 3.34Å; L354-L357 PolarHBondContact O-N 3.46Å; L354-L358 WeakPolarHBondContact O-CB 3.43Å; L354-L358 PolarHBondContact O-N 3.32Å; L354-I450 HydrophobicContact CB-CD1 3.63Å; L354-I450 HydrophobicContact CB-CG1 3.87Å; L354-I450 HydrophobicContact CD1-CG1 3.9Å
355	V	94.3	Very high	92.4	Very high	17 Å²	17	56.1 Å²	56.1	10%	0.103	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-43.4	173.6	171.4	0	0	0	0	110.6	V351 I353 L357 L358 D359 T365 L403 I450 L453	V351-V355 HydrophobicContact CG1-CG2 4.25Å; V351-V355 VanDerWaalsContact O-CG2 3.31Å; V351-V355 WeakPolarHBondContact O-CG2 3.18Å; V351-V355 PolarHBondContact O-N 3.26Å; I353-V355 PolarHBondContact O-N 3.1Å; V355-L357 VanDerWaalsContact C-N 3.33Å; V355-L357 PolarHBondContact O-N 3.17Å; V355-L358 PolarHBondContact O-N 3.4Å; V355-D359 PolarHBondContact O-N 2.85Å; V355-T365 HydrophobicContact CG1-CG2 3.83Å; V355-L403 HydrophobicContact CG2-CD2 3.66Å; V355-I450 HydrophobicContact CG2-CD1 3.64Å; V355-L453 HydrophobicContact CG1-CD2 4.37Å; V355-L453 HydrophobicContact CG2-CD2 4.07Å
356	F	93.5	Very high	92.2	Very high	104 Å²	104	56.9 Å²	56.9	46%	0.456	32%	0.316	S	S	.	.	H	α-helix	trans	-63.5	-37.8	176.1	175.9	-102.3	0	0	0	112.6	S352 I353 L354 D359 P360	S352-F356 WeakPolarHBondContact O-CB 3.47Å; S352-F356 PolarHBondContact O-N 2.82Å; I353-F356 WeakPolarHBondContact O-CB 3.46Å; I353-F356 PolarHBondContact O-N 3.18Å; L354-F356 VanDerWaalsContact C-N 3.34Å; F356-D359 CarbonylContact O-C 3.58Å; F356-P360 HydrophobicContact CE2-CB 4.3Å; F356-P360 WeakPolarHBondContact O-CA 3.24Å; F356-P360 WeakPolarHBondContact O-CD 3.38Å
357	L	91.7	Very high	91.9	Very high	95 Å²	95	59.7 Å²	59.7	50%	0.497	32%	0.321	S	S	.	.	H	α-helix	trans	-70.6	-34.7	176.1	-63	171.2	0	0	0	112	I353 L354 V355 F479	I353-L357 HydrophobicContact CG2-CD1 4.17Å; I353-L357 HydrophobicContact CG2-CG 4.44Å; I353-L357 WeakPolarHBondContact O-CG 3.43Å; I353-L357 PolarHBondContact O-N 3.46Å; L354-L357 PolarHBondContact O-N 3.46Å; V355-L357 VanDerWaalsContact C-N 3.33Å; V355-L357 PolarHBondContact O-N 3.17Å; L357-F479 VanDerWaalsContact C-CZ 3.47Å; L357-F479 HydrophobicContact CB-CE1 4.33Å; L357-F479 HydrophobicContact CB-CE2 4.44Å; L357-F479 HydrophobicContact CB-CZ 3.55Å; L357-F479 WeakPolarHBondContact O-CE2 3.38Å
358	L	91.8	Very high	91.5	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-75.3	-37.5	176.4	178.5	65.2	0	0	0	112.8	L354 V355 L453 I454 F457 R475 P476 F479	L354-L358 WeakPolarHBondContact O-CB 3.43Å; L354-L358 PolarHBondContact O-N 3.32Å; V355-L358 PolarHBondContact O-N 3.4Å; L358-L453 HydrophobicContact CD2-CB 4.46Å; L358-L453 HydrophobicContact CD2-CD2 3.78Å; L358-L453 HydrophobicContact CD2-CG 3.99Å; L358-I454 HydrophobicContact CD1-CG1 4.08Å; L358-I454 HydrophobicContact CD2-CG1 3.73Å; L358-F457 HydrophobicContact CD2-CD2 4.12Å; L358-F457 HydrophobicContact CD2-CE2 4.11Å; L358-F457 HydrophobicContact CG-CD2 4.38Å; L358-F457 HydrophobicContact CG-CE2 4.33Å; L358-R475 VanDerWaalsContact O-CD 3.3Å; L358-R475 WeakPolarHBondContact O-CD 3.46Å; L358-R475 PolarHBondContact O-NE 2.83Å; L358-R475 PolarHBondContact O-NH2 3.29Å; L358-P476 HydrophobicContact CD1-CB 4.21Å; L358-F479 HydrophobicContact CB-CD1 4.46Å; L358-F479 HydrophobicContact CB-CD2 4.42Å; L358-F479 HydrophobicContact CB-CE1 4.33Å; L358-F479 HydrophobicContact CB-CE2 4.29Å; L358-F479 HydrophobicContact CB-CZ 4.25Å; L358-F479 HydrophobicContact CD1-CB 3.88Å; L358-F479 HydrophobicContact CD1-CD1 4.31Å; L358-F479 HydrophobicContact CD1-CD2 3.67Å; L358-F479 HydrophobicContact CD1-CE2 4.33Å; L358-F479 HydrophobicContact CD1-CG 3.67Å
359	D	90.9	Very high	91.2	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.016	32%	0.323	C	S	.	.			trans	-138.5	78.5	179.4	-170.4	27	0	0	0	111.8	V355 F356 S361 R362 T363 G364 T365 F457 R475	V355-D359 PolarHBondContact O-N 2.85Å; F356-D359 CarbonylContact O-C 3.58Å; D359-S361 VanDerWaalsContact C-N 3.28Å; D359-S361 PolarHBondContact O-N 2.81Å; D359-S361 PolarHBondContact OD1-OG 2.72Å; D359-R362 PolarHBondContact O-N 3.27Å; D359-R362 VanDerWaalsContact OD2-CA 3.24Å; D359-R362 WeakPolarHBondContact OD2-CA 3.35Å; D359-T363 PolarHBondContact OD2-N 3.47Å; D359-G364 WeakPolarHBondContact OD2-CA 3.35Å; D359-G364 PolarHBondContact OD2-N 3.03Å; D359-T365 HydrophobicContact CB-CG2 4.31Å; D359-T365 PolarHBondContact OD2-N 2.7Å; D359-F457 HydrophobicContact CB-CE2 4.23Å; D359-F457 HydrophobicContact CB-CZ 4.49Å; D359-R475 IonicContact OD1-NH2 3.63Å; D359-R475 PolarHBondContact OD1-NH2 2.91Å
360	P	90.6	Very high	90.8	Very high	63 Å²	63	58.6 Å²	58.6	41%	0.409	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-31.2	-177.1	20.3	-33.6	0	0	0	113.8	F356 R362	F356-P360 HydrophobicContact CE2-CB 4.3Å; F356-P360 WeakPolarHBondContact O-CA 3.24Å; F356-P360 WeakPolarHBondContact O-CD 3.38Å; P360-R362 VanDerWaalsContact C-N 3.27Å; P360-R362 PolarHBondContact O-N 3.28Å
361	S	88.1	Confident	90.2	Very high	70 Å²	70	56.2 Å²	56.2	49%	0.49	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.3	176	48.9	0	0	0	0	113	D359 T363	D359-S361 VanDerWaalsContact C-N 3.28Å; D359-S361 PolarHBondContact O-N 2.81Å; D359-S361 PolarHBondContact OD1-OG 2.72Å; S361-T363 PolarHBondContact O-N 3.26Å; S361-T363 PolarHBondContact OG-OG1 2.91Å
362	R	88.7	Confident	89.5	Confident	143 Å²	143	57.8 Å²	57.8	54%	0.54	32%	0.324	S	S	.	.			trans	53.1	4.4	-171.2	-64.8	-174	178.4	-162.2	-0.8	115.3	D359 P360 G364 T365 A366	D359-R362 PolarHBondContact O-N 3.27Å; D359-R362 VanDerWaalsContact OD2-CA 3.24Å; D359-R362 WeakPolarHBondContact OD2-CA 3.35Å; P360-R362 VanDerWaalsContact C-N 3.27Å; P360-R362 PolarHBondContact O-N 3.28Å; R362-G364 VanDerWaalsContact C-N 3.34Å; R362-G364 PolarHBondContact O-N 3.23Å; R362-T365 WeakPolarHBondContact CA-OG1 3.13Å; R362-T365 PolarHBondContact O-N 3.49Å; R362-T365 PolarHBondContact O-OG1 2.95Å; R362-A366 VanDerWaalsContact O-CB 3.29Å; R362-A366 WeakPolarHBondContact O-CB 3.34Å; R362-A366 PolarHBondContact O-N 3.21Å
363	T	87.5	Confident	89	Confident	93 Å²	93	59 Å²	59	57%	0.571	34%	0.337	S	S	*	.	H	α-helix	trans	-65.7	-38.1	-177.3	46.9	0	0	0	0	111.7	D359 S361 R367	D359-T363 PolarHBondContact OD2-N 3.47Å; S361-T363 PolarHBondContact O-N 3.26Å; S361-T363 PolarHBondContact OG-OG1 2.91Å; T363-R367 WeakPolarHBondContact O-CB 3.13Å; T363-R367 PolarHBondContact O-N 3.22Å
364	G	86.1	Confident	88.2	Confident	23 Å²	23	62 Å²	62	24%	0.237	35%	0.35	C	S	.	.	H	α-helix	trans	-66	-48.6	175.9	0	0	0	0	0	110.9	D359 R362 A366 R367 L368	D359-G364 WeakPolarHBondContact OD2-CA 3.35Å; D359-G364 PolarHBondContact OD2-N 3.03Å; R362-G364 VanDerWaalsContact C-N 3.34Å; R362-G364 PolarHBondContact O-N 3.23Å; G364-A366 PolarHBondContact O-N 2.83Å; G364-R367 PolarHBondContact O-N 2.99Å; G364-L368 PolarHBondContact O-N 3.2Å
365	T	88.6	Confident	87	Confident	21 Å²	21	62.3 Å²	62.3	13%	0.129	36%	0.356	C	S	.	.	H	α-helix	trans	-63.4	-38.2	177.3	58.8	0	0	0	0	113.1	V355 D359 R362 L368 A369 L453 F457	V355-T365 HydrophobicContact CG1-CG2 3.83Å; D359-T365 HydrophobicContact CB-CG2 4.31Å; D359-T365 PolarHBondContact OD2-N 2.7Å; R362-T365 WeakPolarHBondContact CA-OG1 3.13Å; R362-T365 PolarHBondContact O-N 3.49Å; R362-T365 PolarHBondContact O-OG1 2.95Å; T365-L368 WeakPolarHBondContact O-CB 3.22Å; T365-L368 PolarHBondContact O-N 2.82Å; T365-A369 PolarHBondContact O-N 3.21Å; T365-L453 HydrophobicContact CG2-CD1 4.41Å; T365-L453 HydrophobicContact CG2-CD2 4.14Å; T365-F457 HydrophobicContact CG2-CE2 4.49Å; T365-F457 HydrophobicContact CG2-CZ 3.84Å
366	A	90.1	Very high	85.3	Confident	55 Å²	55	66.8 Å²	66.8	46%	0.455	39%	0.386	S	S	.	.	H	α-helix	trans	-67.8	-42	177.5	0	0	0	0	0	111.8	R362 G364 L368 A369 V370	R362-A366 VanDerWaalsContact O-CB 3.29Å; R362-A366 WeakPolarHBondContact O-CB 3.34Å; R362-A366 PolarHBondContact O-N 3.21Å; G364-A366 PolarHBondContact O-N 2.83Å; A366-L368 VanDerWaalsContact C-N 3.29Å; A366-L368 PolarHBondContact O-N 3.18Å; A366-A369 PolarHBondContact O-N 3.44Å; A366-V370 WeakPolarHBondContact O-CG2 3.35Å; A366-V370 PolarHBondContact O-N 2.91Å; A366-V370 VanDerWaalsContact O-N 3.1Å
367	R	88.3	Confident	83.6	Confident	142 Å²	142	64.8 Å²	64.8	54%	0.536	39%	0.388	S	S	.	.	H	α-helix	trans	-60.4	-41.9	173.7	-176.5	179.2	178.4	-177.8	-0.5	111.2	T363 G364 V370 V371	T363-R367 WeakPolarHBondContact O-CB 3.13Å; T363-R367 PolarHBondContact O-N 3.22Å; G364-R367 PolarHBondContact O-N 2.99Å; R367-V370 PolarHBondContact O-N 3.46Å; R367-V371 WeakPolarHBondContact O-CG2 3.36Å; R367-V371 PolarHBondContact O-N 3.02Å; R367-V371 VanDerWaalsContact O-N 3.09Å
368	L	87.7	Confident	81.9	Confident	10 Å²	10	63.2 Å²	63.2	5%	0.052	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-45.1	176.8	-161	67.4	0	0	0	111.7	G364 T365 A366 V370 V371 V372 D396 A399 M400 L453	G364-L368 PolarHBondContact O-N 3.2Å; T365-L368 WeakPolarHBondContact O-CB 3.22Å; T365-L368 PolarHBondContact O-N 2.82Å; A366-L368 VanDerWaalsContact C-N 3.29Å; A366-L368 PolarHBondContact O-N 3.18Å; L368-V370 VanDerWaalsContact C-N 3.29Å; L368-V370 PolarHBondContact O-N 3.12Å; L368-V371 PolarHBondContact O-N 2.84Å; L368-V372 VanDerWaalsContact O-CG2 3.32Å; L368-V372 WeakPolarHBondContact O-CG2 3.47Å; L368-V372 PolarHBondContact O-N 3.33Å; L368-D396 HydrophobicContact CD1-CB 3.29Å; L368-D396 WeakPolarHBondContact CD1-OD1 3.37Å; L368-D396 HydrophobicContact CG-CB 4.13Å; L368-A399 HydrophobicContact CD2-CB 4.29Å; L368-M400 HydrophobicContact CB-CG 4.35Å; L368-M400 HydrophobicContact CB-SD 4.15Å; L368-M400 HydrophobicContact CD2-CG 3.75Å; L368-M400 HydrophobicContact CD2-SD 3.78Å; L368-M400 HydrophobicContact CG-CG 3.78Å; L368-M400 HydrophobicContact CG-SD 4.08Å; L368-L453 HydrophobicContact CD2-CD1 3.76Å
369	A	87.5	Confident	79.9	Confident	42 Å²	42	68.4 Å²	68.4	35%	0.347	41%	0.414	S	S	.	.	H	α-helix	trans	-60.1	-38	177.8	0	0	0	0	0	112.7	T365 A366 A373 M400	T365-A369 PolarHBondContact O-N 3.21Å; A366-A369 PolarHBondContact O-N 3.44Å; A369-A373 WeakPolarHBondContact O-CB 3.28Å; A369-A373 PolarHBondContact O-N 2.68Å; A369-A373 VanDerWaalsContact O-N 3.07Å; A369-M400 HydrophobicContact CB-CE 3.77Å
370	V	87.1	Confident	78	Confident	82 Å²	82	74.5 Å²	74.5	50%	0.497	44%	0.442	S	S	.	.	H	α-helix	trans	-67	-46.2	175.6	174.5	0	0	0	0	111.2	A366 R367 L368 V372 A373 E374	A366-V370 WeakPolarHBondContact O-CG2 3.35Å; A366-V370 PolarHBondContact O-N 2.91Å; A366-V370 VanDerWaalsContact O-N 3.1Å; R367-V370 PolarHBondContact O-N 3.46Å; L368-V370 VanDerWaalsContact C-N 3.29Å; L368-V370 PolarHBondContact O-N 3.12Å; V370-V372 VanDerWaalsContact C-N 3.3Å; V370-V372 PolarHBondContact O-N 2.89Å; V370-A373 WeakPolarHBondContact O-CB 3.41Å; V370-A373 PolarHBondContact O-N 2.98Å; V370-A373 VanDerWaalsContact O-N 3.13Å; V370-E374 PolarHBondContact O-N 3.02Å; V370-E374 VanDerWaalsContact O-N 3.15Å
371	V	82.1	Confident	76.4	Confident	34 Å²	34	74.9 Å²	74.9	21%	0.206	44%	0.444	C	S	.	.	H	α-helix	trans	-59.3	-42.9	177.9	172.2	0	0	0	0	111.2	R367 L368 A373 E374 A375	R367-V371 WeakPolarHBondContact O-CG2 3.36Å; R367-V371 PolarHBondContact O-N 3.02Å; R367-V371 VanDerWaalsContact O-N 3.09Å; L368-V371 PolarHBondContact O-N 2.84Å; V371-A373 VanDerWaalsContact C-N 3.32Å; V371-A373 PolarHBondContact O-N 3.41Å; V371-E374 PolarHBondContact O-N 3.26Å; V371-A375 PolarHBondContact O-N 3.42Å
372	V	82.5	Confident	75	Confident	37 Å²	37	73.8 Å²	73.8	22%	0.224	43%	0.429	C	S	.	.	H	α-helix	trans	-67.6	-31.5	178.3	171.8	0	0	0	0	112.3	L368 V370 E374 D396 V397 M400	L368-V372 VanDerWaalsContact O-CG2 3.32Å; L368-V372 WeakPolarHBondContact O-CG2 3.47Å; L368-V372 PolarHBondContact O-N 3.33Å; V370-V372 VanDerWaalsContact C-N 3.3Å; V370-V372 PolarHBondContact O-N 2.89Å; V372-E374 VanDerWaalsContact C-N 3.3Å; V372-D396 HydrophobicContact CG2-CB 4.33Å; V372-V397 HydrophobicContact CB-CG2 4.45Å; V372-V397 HydrophobicContact CG1-CG2 4.15Å; V372-V397 HydrophobicContact CG2-CB 4.37Å; V372-V397 HydrophobicContact CG2-CG2 3.94Å; V372-M400 HydrophobicContact CB-CG 4.49Å; V372-M400 HydrophobicContact CG1-CB 4.4Å; V372-M400 HydrophobicContact CG2-CB 4.17Å; V372-M400 HydrophobicContact CG2-CG 3.88Å
373	A	82.5	Confident	73.5	Confident	86 Å²	86	68 Å²	68	71%	0.711	41%	0.408	S	S	*	.	H	α-helix	trans	-69.5	-29.4	174.3	0	0	0	0	0	112.6	A369 V370 V371	A369-A373 WeakPolarHBondContact O-CB 3.28Å; A369-A373 PolarHBondContact O-N 2.68Å; A369-A373 VanDerWaalsContact O-N 3.07Å; V370-A373 WeakPolarHBondContact O-CB 3.41Å; V370-A373 PolarHBondContact O-N 2.98Å; V370-A373 VanDerWaalsContact O-N 3.13Å; V371-A373 VanDerWaalsContact C-N 3.32Å; V371-A373 PolarHBondContact O-N 3.41Å
374	E	78.7	Confident	72.1	Confident	153 Å²	153	64.8 Å²	64.8	72%	0.715	39%	0.388	S	S	*	.	H	α-helix	trans	-86.6	-32.9	-179.6	-69.3	175.1	-178.1	0	0	113.2	V370 V371 V372 P376	V370-E374 PolarHBondContact O-N 3.02Å; V370-E374 VanDerWaalsContact O-N 3.15Å; V371-E374 PolarHBondContact O-N 3.26Å; V372-E374 VanDerWaalsContact C-N 3.3Å; E374-P376 WeakPolarHBondContact O-CD 3.48Å
375	A	68	Low	70.9	Confident	34 Å²	34	65.4 Å²	65.4	28%	0.281	39%	0.386	S	S	.	.	S	Bend	trans	-112.2	89.8	-178.9	0	0	0	0	0	111.3	V371	V371-A375 PolarHBondContact O-N 3.42Å
376	P	60	Low	69.8	Low	112 Å²	112	64.8 Å²	64.8	73%	0.727	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-64.5	147.7	172.4	27.6	-33.4	0	0	0	110.3	E374 D378	E374-P376 WeakPolarHBondContact O-CD 3.48Å; P376-D378 PolarHBondContact O-N 3.47Å; P376-D378 VanDerWaalsContact O-N 3.08Å
377	A	58.3	Low	69.1	Low	61 Å²	61	64.3 Å²	64.3	50%	0.504	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-49.4	117.1	179.1	0	0	0	0	0	111.3	P379	A377-P379 WeakPolarHBondContact O-CD 3.44Å
378	D	55.8	Low	68.6	Low	62 Å²	62	58.6 Å²	58.6	33%	0.332	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-63.6	124.2	177.7	-175.7	-5.9	0	0	0	109.3	P376 H380	P376-D378 PolarHBondContact O-N 3.47Å; P376-D378 VanDerWaalsContact O-N 3.08Å; D378-H380 PolarHBondContact O-N 3.22Å; D378-H380 PolarHBondContact OD1-N 3.07Å
379	P	48.6	Very low	68.2	Low	111 Å²	111	60.8 Å²	60.8	72%	0.721	37%	0.373	S	S	*	.	S	Bend	trans	-60.2	-22.1	175.5	22.3	-33	0	0	0	113.4	A377 T381	A377-P379 WeakPolarHBondContact O-CD 3.44Å; P379-T381 VanDerWaalsContact C-N 3.29Å; P379-T381 PolarHBondContact O-N 3.43Å
380	H	51.9	Low	67.7	Low	131 Å²	131	60.6 Å²	60.6	61%	0.606	37%	0.366	S	S	*	.			trans	-85.8	68.7	175.4	-70.2	-61	0	0	0	112.4	D378 W382 N383	D378-H380 PolarHBondContact O-N 3.22Å; D378-H380 PolarHBondContact OD1-N 3.07Å; H380-W382 PolarHBondContact O-N 3.39Å; H380-N383 PolarHBondContact O-N 3.23Å
381	T	56.3	Low	67.4	Low	71 Å²	71	56.8 Å²	56.8	44%	0.436	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.5	-16.3	-179.9	54	0	0	0	0	118.7	P379 V384	P379-T381 VanDerWaalsContact C-N 3.29Å; P379-T381 PolarHBondContact O-N 3.43Å; T381-V384 WeakPolarHBondContact O-CG2 3.38Å
382	W	58.3	Low	67.5	Low	47 Å²	47	55.7 Å²	55.7	18%	0.178	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-29.5	-171.4	-59.7	115.5	0	0	0	115.2	H380 V384 I385 R628 L631 W632	H380-W382 PolarHBondContact O-N 3.39Å; W382-V384 PolarHBondContact O-N 2.96Å; W382-I385 HydrophobicContact CE3-CD1 4.21Å; W382-I385 HydrophobicContact CZ3-CD1 4.33Å; W382-I385 PolarHBondContact O-N 2.97Å; W382-I385 VanDerWaalsContact O-N 3.11Å; W382-R628 HydrophobicContact CH2-CB 3.57Å; W382-R628 HydrophobicContact CH2-CG 3.89Å; W382-R628 WeakPolarHBondContact CH2-O 3.31Å; W382-R628 HydrophobicContact CZ2-CB 4.32Å; W382-R628 HydrophobicContact CZ2-CG 4.38Å; W382-R628 WeakPolarHBondContact CZ2-O 3.26Å; W382-R628 HydrophobicContact CZ3-CB 4.49Å; W382-L631 HydrophobicContact CZ2-CB 3.8Å; W382-W632 HydrophobicContact CD2-CB 4.01Å; W382-W632 HydrophobicContact CD2-CG 4.45Å; W382-W632 HydrophobicContact CE3-CB 3.46Å; W382-W632 VanDerWaalsContact CE3-CB 3.46Å; W382-W632 AromaticContact CE3-CD1 3.42Å; W382-W632 VanDerWaalsContact CE3-CD1 3.42Å; W382-W632 AromaticContact CE3-CG 3.72Å; W382-W632 HydrophobicContact CE3-CG 3.72Å; W382-W632 HydrophobicContact CH2-CB 3.91Å; W382-W632 HydrophobicContact CZ2-CB 4.33Å; W382-W632 HydrophobicContact CZ3-CB 3.43Å; W382-W632 VanDerWaalsContact CZ3-CB 3.43Å; W382-W632 AromaticContact CZ3-CG 3.98Å; W382-W632 HydrophobicContact CZ3-CG 3.98Å
383	N	57	Low	67.6	Low	21 Å²	21	56.2 Å²	56.2	11%	0.112	34%	0.337	C	S	.	.	H	α-helix	trans	-60.8	-24.3	-177.9	-67.3	-7.8	0	0	0	111.3	H380 I385 D386 D387 L390 K692	H380-N383 PolarHBondContact O-N 3.23Å; N383-I385 VanDerWaalsContact C-N 3.31Å; N383-I385 PolarHBondContact O-N 3.19Å; N383-D386 PolarHBondContact O-N 2.89Å; N383-D387 WeakPolarHBondContact O-CB 3.44Å; N383-D387 PolarHBondContact O-N 3.47Å; N383-L390 HydrophobicContact CB-CD2 3.45Å; N383-L390 VanDerWaalsContact CB-CD2 3.45Å; N383-K692 PolarHBondContact OD1-O 3.39Å
384	V	59.3	Low	67.6	Low	25 Å²	25	54.4 Å²	54.4	15%	0.152	31%	0.314	C	S	.	.	H	α-helix	trans	-57.5	-34.1	176.2	-172.4	0	0	0	0	113.5	T381 W382 L390 A391 Q394 K579	T381-V384 WeakPolarHBondContact O-CG2 3.38Å; W382-V384 PolarHBondContact O-N 2.96Å; V384-L390 HydrophobicContact CG2-CD2 4.18Å; V384-L390 HydrophobicContact CG2-CG 4.22Å; V384-A391 HydrophobicContact CG1-CB 4.17Å; V384-A391 VanDerWaalsContact O-CB 3.27Å; V384-A391 WeakPolarHBondContact O-CB 3.36Å; V384-Q394 HydrophobicContact CG1-CB 3.84Å; V384-Q394 HydrophobicContact CG1-CG 3.98Å; V384-Q394 HydrophobicContact CG2-CB 4.35Å; V384-Q394 HydrophobicContact CG2-CG 4.32Å; V384-K579 PolarHBondContact O-NZ 3.49Å
385	I	60.3	Low	68.1	Low	36 Å²	36	48.6 Å²	48.6	19%	0.185	29%	0.288	C	S	.	.	H	α-helix	trans	-74.7	-38.4	-180	-64.5	173.1	0	0	0	109.9	W382 N383 F576 W632	W382-I385 HydrophobicContact CE3-CD1 4.21Å; W382-I385 HydrophobicContact CZ3-CD1 4.33Å; W382-I385 PolarHBondContact O-N 2.97Å; W382-I385 VanDerWaalsContact O-N 3.11Å; N383-I385 VanDerWaalsContact C-N 3.31Å; N383-I385 PolarHBondContact O-N 3.19Å; I385-F576 HydrophobicContact CG2-CD2 3.94Å; I385-F576 HydrophobicContact CG2-CE2 4.09Å; I385-W632 HydrophobicContact CD1-CD2 4.33Å; I385-W632 HydrophobicContact CD1-CG 4.14Å; I385-W632 HydrophobicContact CG2-CZ2 4.39Å
386	D	66.5	Low	69.1	Low	9 Å²	9	47 Å²	47	5%	0.048	28%	0.275	C	S	.	.	H	α-helix	trans	-92.3	-21.4	-169.8	-88.8	-53	0	0	0	114.5	N383 W635 R636 K692	N383-D386 PolarHBondContact O-N 2.89Å; D386-W635 VanDerWaalsContact OD2-CH2 3.31Å; D386-W635 WeakPolarHBondContact OD2-CH2 3.39Å; D386-W635 WeakPolarHBondContact OD2-CZ3 3.49Å; D386-R636 IonicContact OD1-NH1 3.06Å; D386-R636 PolarHBondContact OD1-NH1 2.81Å; D386-R636 IonicContact OD2-NH1 3.59Å; D386-K692 HydrophobicContact CB-CD 3.74Å; D386-K692 HydrophobicContact CB-CG 4.34Å; D386-K692 VanDerWaalsContact CG-CE 3.49Å; D386-K692 PolarHBondContact O-NZ 3.1Å; D386-K692 VanDerWaalsContact O-NZ 3.16Å; D386-K692 WeakPolarHBondContact OD1-CE 3.2Å; D386-K692 IonicContact OD1-NZ 3.35Å; D386-K692 PolarHBondContact OD1-NZ 3.42Å
387	D	75.3	Confident	70.5	Confident	45 Å²	45	42.5 Å²	42.5	24%	0.241	25%	0.245	C	C	.	.			trans	-114.5	114.9	176.4	-176.4	-4.4	0	0	0	110.5	N383 A389 L390 A391 H693	N383-D387 WeakPolarHBondContact O-CB 3.44Å; N383-D387 PolarHBondContact O-N 3.47Å; D387-A389 VanDerWaalsContact C-N 3.3Å; D387-A389 PolarHBondContact O-N 3.28Å; D387-A389 WeakPolarHBondContact OD1-CB 3.44Å; D387-A389 PolarHBondContact OD1-N 3.24Å; D387-L390 HydrophobicContact CB-CB 4.15Å; D387-A391 WeakPolarHBondContact O-CB 3.32Å; D387-A391 PolarHBondContact O-N 3.11Å; D387-H693 IonicContact OD2-NE2 3.98Å
388	P	78	Confident	72	Confident	22 Å²	22	42.8 Å²	42.8	14%	0.143	24%	0.237	C	C	.	.	H	α-helix	trans	-66.9	-25.7	179.2	30.9	-39	0	0	0	113.9	A391 L392 F571 Q572	P388-A391 WeakPolarHBondContact O-CB 3.42Å; P388-L392 PolarHBondContact O-N 2.96Å; P388-L392 VanDerWaalsContact O-N 3.16Å; P388-F571 HydrophobicContact CB-CE1 4.34Å; P388-F571 HydrophobicContact CG-CE1 4.27Å; P388-Q572 VanDerWaalsContact CD-NE2 3.35Å; P388-Q572 VanDerWaalsContact CG-NE2 3.31Å
389	A	77.7	Confident	73.7	Confident	56 Å²	56	39.8 Å²	39.8	46%	0.463	22%	0.221	S	C	.	.	H	α-helix	trans	-72.5	-51.3	179.5	0	0	0	0	0	110.2	D387 A391 L392 D393	D387-A389 VanDerWaalsContact C-N 3.3Å; D387-A389 PolarHBondContact O-N 3.28Å; D387-A389 WeakPolarHBondContact OD1-CB 3.44Å; D387-A389 PolarHBondContact OD1-N 3.24Å; A389-A391 PolarHBondContact O-N 3Å; A389-L392 VanDerWaalsContact O-CB 3.32Å; A389-L392 WeakPolarHBondContact O-CB 3.44Å; A389-L392 PolarHBondContact O-N 3.43Å; A389-D393 PolarHBondContact O-N 3.46Å
390	L	77.3	Confident	75.8	Confident	38 Å²	38	36.5 Å²	36.5	20%	0.199	20%	0.197	C	C	.	.	H	α-helix	trans	-60.8	-32.7	173.7	-173	63.9	0	0	0	112.2	N383 V384 D387 L392 Q394	N383-L390 HydrophobicContact CB-CD2 3.45Å; N383-L390 VanDerWaalsContact CB-CD2 3.45Å; V384-L390 HydrophobicContact CG2-CD2 4.18Å; V384-L390 HydrophobicContact CG2-CG 4.22Å; D387-L390 HydrophobicContact CB-CB 4.15Å; L390-L392 VanDerWaalsContact C-N 3.31Å; L390-L392 PolarHBondContact O-N 2.97Å; L390-Q394 WeakPolarHBondContact O-CB 3.42Å; L390-Q394 PolarHBondContact O-N 3.12Å
391	A	80.5	Confident	77.6	Confident	2 Å²	2	36.4 Å²	36.4	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-37.7	173.2	0	0	0	0	0	113.7	V384 D387 P388 A389 N395	V384-A391 HydrophobicContact CG1-CB 4.17Å; V384-A391 VanDerWaalsContact O-CB 3.27Å; V384-A391 WeakPolarHBondContact O-CB 3.36Å; D387-A391 WeakPolarHBondContact O-CB 3.32Å; D387-A391 PolarHBondContact O-N 3.11Å; P388-A391 WeakPolarHBondContact O-CB 3.42Å; A389-A391 PolarHBondContact O-N 3Å; A391-N395 VanDerWaalsContact O-CG 3.24Å; A391-N395 PolarHBondContact O-N 3.48Å; A391-N395 VanDerWaalsContact O-N 3.12Å; A391-N395 PolarHBondContact O-ND2 2.93Å
392	L	84.9	Confident	79.3	Confident	10 Å²	10	35.7 Å²	35.7	5%	0.052	19%	0.19	C	C	.	.	H	α-helix	trans	-67.3	-49.6	179	-174.4	57.4	0	0	0	110	P388 A389 L390 Q394 N395 D396 L459 R460 A463	P388-L392 PolarHBondContact O-N 2.96Å; P388-L392 VanDerWaalsContact O-N 3.16Å; A389-L392 VanDerWaalsContact O-CB 3.32Å; A389-L392 WeakPolarHBondContact O-CB 3.44Å; A389-L392 PolarHBondContact O-N 3.43Å; L390-L392 VanDerWaalsContact C-N 3.31Å; L390-L392 PolarHBondContact O-N 2.97Å; L392-Q394 VanDerWaalsContact C-N 3.29Å; L392-Q394 PolarHBondContact O-N 3.2Å; L392-N395 WeakPolarHBondContact O-CB 3.33Å; L392-N395 PolarHBondContact O-N 2.89Å; L392-N395 VanDerWaalsContact O-N 3.12Å; L392-D396 VanDerWaalsContact O-CG 3.25Å; L392-D396 PolarHBondContact O-N 3.29Å; L392-L459 HydrophobicContact CD1-CB 3.66Å; L392-R460 HydrophobicContact CD1-CB 4.3Å; L392-A463 HydrophobicContact CD2-CB 4.41Å
393	D	83.9	Confident	81	Confident	49 Å²	49	34.8 Å²	34.8	26%	0.262	19%	0.188	S	C	.	.	H	α-helix	trans	-62.5	-36.2	178.6	-60.3	-22.7	0	0	0	111.6	A389 D396 V397 R460	A389-D393 PolarHBondContact O-N 3.46Å; D393-D396 WeakPolarHBondContact O-CB 3.47Å; D393-D396 PolarHBondContact O-N 2.86Å; D393-V397 WeakPolarHBondContact O-CG2 3.43Å; D393-V397 PolarHBondContact O-N 2.71Å; D393-R460 IonicContact OD1-NH1 2.97Å; D393-R460 PolarHBondContact OD1-NH1 2.98Å
394	Q	83.7	Confident	82.7	Confident	47 Å²	47	38 Å²	38	22%	0.22	22%	0.218	C	C	.	.	H	α-helix	trans	-66.5	-38.9	174.6	-173.7	64.7	19	0	0	112.9	V384 L390 L392 D396 V397 I398	V384-Q394 HydrophobicContact CG1-CB 3.84Å; V384-Q394 HydrophobicContact CG1-CG 3.98Å; V384-Q394 HydrophobicContact CG2-CB 4.35Å; V384-Q394 HydrophobicContact CG2-CG 4.32Å; L390-Q394 WeakPolarHBondContact O-CB 3.42Å; L390-Q394 PolarHBondContact O-N 3.12Å; L392-Q394 VanDerWaalsContact C-N 3.29Å; L392-Q394 PolarHBondContact O-N 3.2Å; Q394-D396 VanDerWaalsContact C-N 3.26Å; Q394-D396 PolarHBondContact O-N 3.22Å; Q394-V397 PolarHBondContact O-N 2.96Å; Q394-I398 HydrophobicContact CG-CD1 3.97Å; Q394-I398 WeakPolarHBondContact O-CD1 3.27Å; Q394-I398 VanDerWaalsContact O-CG1 3.24Å; Q394-I398 WeakPolarHBondContact O-CG1 3.44Å; Q394-I398 PolarHBondContact O-N 3.46Å
395	N	88.7	Confident	84.3	Confident	32 Å²	32	38.3 Å²	38.3	17%	0.171	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-36.7	174.8	-69.7	-39.1	0	0	0	111.1	A391 L392 I398 A399	A391-N395 VanDerWaalsContact O-CG 3.24Å; A391-N395 PolarHBondContact O-N 3.48Å; A391-N395 VanDerWaalsContact O-N 3.12Å; A391-N395 PolarHBondContact O-ND2 2.93Å; L392-N395 WeakPolarHBondContact O-CB 3.33Å; L392-N395 PolarHBondContact O-N 2.89Å; L392-N395 VanDerWaalsContact O-N 3.12Å; N395-I398 PolarHBondContact O-N 3.3Å; N395-A399 WeakPolarHBondContact O-CB 3.41Å; N395-A399 PolarHBondContact O-N 2.73Å
396	D	89.6	Confident	85.9	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-62.3	-47.6	177.1	-68	-7.1	0	0	0	110.9	L368 V372 L392 D393 Q394 A399 M400 S456 R460	L368-D396 HydrophobicContact CD1-CB 3.29Å; L368-D396 WeakPolarHBondContact CD1-OD1 3.37Å; L368-D396 HydrophobicContact CG-CB 4.13Å; V372-D396 HydrophobicContact CG2-CB 4.33Å; L392-D396 VanDerWaalsContact O-CG 3.25Å; L392-D396 PolarHBondContact O-N 3.29Å; D393-D396 WeakPolarHBondContact O-CB 3.47Å; D393-D396 PolarHBondContact O-N 2.86Å; Q394-D396 VanDerWaalsContact C-N 3.26Å; Q394-D396 PolarHBondContact O-N 3.22Å; D396-A399 PolarHBondContact O-N 3.19Å; D396-M400 PolarHBondContact O-N 2.95Å; D396-M400 VanDerWaalsContact O-N 3.13Å; D396-S456 WeakPolarHBondContact OD1-CB 3.41Å; D396-R460 IonicContact OD2-NH1 2.92Å; D396-R460 PolarHBondContact OD2-NH1 3.19Å
397	V	88.6	Confident	87.1	Confident	16 Å²	16	37.3 Å²	37.3	10%	0.097	22%	0.22	C	C	.	.	H	α-helix	trans	-60	-49.4	175	175.3	0	0	0	0	111.3	V372 D393 Q394 A399 M400 E401	V372-V397 HydrophobicContact CB-CG2 4.45Å; V372-V397 HydrophobicContact CG1-CG2 4.15Å; V372-V397 HydrophobicContact CG2-CB 4.37Å; V372-V397 HydrophobicContact CG2-CG2 3.94Å; D393-V397 WeakPolarHBondContact O-CG2 3.43Å; D393-V397 PolarHBondContact O-N 2.71Å; Q394-V397 PolarHBondContact O-N 2.96Å; V397-A399 VanDerWaalsContact C-N 3.32Å; V397-A399 PolarHBondContact O-N 3.21Å; V397-M400 PolarHBondContact O-N 2.91Å; V397-E401 WeakPolarHBondContact O-CB 3.33Å; V397-E401 PolarHBondContact O-N 3.5Å
398	I	89.2	Confident	87.9	Confident	67 Å²	67	43.5 Å²	43.5	34%	0.344	24%	0.24	S	C	.	.	H	α-helix	trans	-60.3	-42.5	-179.3	-69.5	166	0	0	0	111.1	Q394 N395 L402	Q394-I398 HydrophobicContact CG-CD1 3.97Å; Q394-I398 WeakPolarHBondContact O-CD1 3.27Å; Q394-I398 VanDerWaalsContact O-CG1 3.24Å; Q394-I398 WeakPolarHBondContact O-CG1 3.44Å; Q394-I398 PolarHBondContact O-N 3.46Å; N395-I398 PolarHBondContact O-N 3.3Å; I398-L402 HydrophobicContact CG2-CD1 3.85Å; I398-L402 HydrophobicContact CG2-CG 4.38Å; I398-L402 WeakPolarHBondContact O-CB 3.33Å; I398-L402 VanDerWaalsContact O-CG 3.27Å; I398-L402 WeakPolarHBondContact O-CG 3.3Å; I398-L402 PolarHBondContact O-N 3.33Å
399	A	92.4	Very high	88.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-46	178.6	0	0	0	0	0	111.6	L368 N395 D396 V397 L403 A452	L368-A399 HydrophobicContact CD2-CB 4.29Å; N395-A399 WeakPolarHBondContact O-CB 3.41Å; N395-A399 PolarHBondContact O-N 2.73Å; D396-A399 PolarHBondContact O-N 3.19Å; V397-A399 VanDerWaalsContact C-N 3.32Å; V397-A399 PolarHBondContact O-N 3.21Å; A399-L403 VanDerWaalsContact O-CG 3.24Å; A399-L403 WeakPolarHBondContact O-CG 3.36Å; A399-L403 PolarHBondContact O-N 3.13Å; A399-A452 HydrophobicContact CB-CB 4.12Å
400	M	92	Very high	89.4	Confident	42 Å²	42	43.3 Å²	43.3	21%	0.207	23%	0.23	C	C	.	.	H	α-helix	trans	-68	-41.1	179.9	-71.5	-56.1	-57.6	0	0	112.9	L368 A369 V372 D396 V397 L403 A404	L368-M400 HydrophobicContact CB-CG 4.35Å; L368-M400 HydrophobicContact CB-SD 4.15Å; L368-M400 HydrophobicContact CD2-CG 3.75Å; L368-M400 HydrophobicContact CD2-SD 3.78Å; L368-M400 HydrophobicContact CG-CG 3.78Å; L368-M400 HydrophobicContact CG-SD 4.08Å; A369-M400 HydrophobicContact CB-CE 3.77Å; V372-M400 HydrophobicContact CB-CG 4.49Å; V372-M400 HydrophobicContact CG1-CB 4.4Å; V372-M400 HydrophobicContact CG2-CB 4.17Å; V372-M400 HydrophobicContact CG2-CG 3.88Å; D396-M400 PolarHBondContact O-N 2.95Å; D396-M400 VanDerWaalsContact O-N 3.13Å; V397-M400 PolarHBondContact O-N 2.91Å; M400-L403 PolarHBondContact O-N 2.96Å; M400-L403 HydrophobicContact SD-CD1 4.22Å; M400-A404 WeakPolarHBondContact O-CB 3.45Å; M400-A404 PolarHBondContact O-N 3.21Å
401	E	90.6	Very high	90.2	Very high	129 Å²	129	42.2 Å²	42.2	60%	0.603	23%	0.227	S	C	*	.	H	α-helix	trans	-64.1	-42.5	177.5	-172.8	176.5	-174.8	0	0	111.5	V397 L403 A404 S405	V397-E401 WeakPolarHBondContact O-CB 3.33Å; V397-E401 PolarHBondContact O-N 3.5Å; E401-L403 PolarHBondContact O-N 3.31Å; E401-A404 PolarHBondContact O-N 2.95Å; E401-S405 WeakPolarHBondContact O-CB 3.44Å; E401-S405 PolarHBondContact O-N 3.43Å; E401-S405 PolarHBondContact O-OG 3.46Å
402	L	92.3	Very high	90.7	Very high	55 Å²	55	46.1 Å²	46.1	29%	0.288	25%	0.25	S	C	.	.	H	α-helix	trans	-63.2	-41	175.1	-75.5	173.6	0	0	0	111.9	I398 T406 P449 A452	I398-L402 HydrophobicContact CG2-CD1 3.85Å; I398-L402 HydrophobicContact CG2-CG 4.38Å; I398-L402 WeakPolarHBondContact O-CB 3.33Å; I398-L402 VanDerWaalsContact O-CG 3.27Å; I398-L402 WeakPolarHBondContact O-CG 3.3Å; I398-L402 PolarHBondContact O-N 3.33Å; L402-T406 WeakPolarHBondContact O-CG2 3.05Å; L402-T406 PolarHBondContact O-N 2.99Å; L402-T406 VanDerWaalsContact O-N 3.12Å; L402-P449 HydrophobicContact CB-CB 4.16Å; L402-P449 HydrophobicContact CB-CG 4.34Å; L402-A452 HydrophobicContact CD1-CB 3.91Å
403	L	93.5	Very high	90.9	Very high	28 Å²	28	48 Å²	48	15%	0.147	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-46.5	176.7	-74.7	169.8	0	0	0	112	V351 V355 A399 M400 E401 S405 T406 P449 L453	V351-L403 HydrophobicContact CG1-CD2 3.66Å; V355-L403 HydrophobicContact CG2-CD2 3.66Å; A399-L403 VanDerWaalsContact O-CG 3.24Å; A399-L403 WeakPolarHBondContact O-CG 3.36Å; A399-L403 PolarHBondContact O-N 3.13Å; M400-L403 PolarHBondContact O-N 2.96Å; M400-L403 HydrophobicContact SD-CD1 4.22Å; E401-L403 PolarHBondContact O-N 3.31Å; L403-S405 VanDerWaalsContact C-N 3.35Å; L403-S405 PolarHBondContact O-N 3.23Å; L403-T406 WeakPolarHBondContact O-CG2 3.48Å; L403-T406 PolarHBondContact O-OG1 2.85Å; L403-P449 HydrophobicContact CD2-CB 3.88Å; L403-P449 HydrophobicContact CG-CB 4.34Å; L403-L453 HydrophobicContact CD1-CD1 4.2Å; L403-L453 HydrophobicContact CD1-CD2 4.1Å
404	A	91.8	Very high	91.3	Very high	89 Å²	89	45.8 Å²	45.8	74%	0.736	25%	0.25	S	C	*	.	H	α-helix	trans	-66.4	-35.5	-179.9	0	0	0	0	0	112.7	M400 E401	M400-A404 WeakPolarHBondContact O-CB 3.45Å; M400-A404 PolarHBondContact O-N 3.21Å; E401-A404 PolarHBondContact O-N 2.95Å
405	S	93	Very high	91.6	Very high	32 Å²	32	45.7 Å²	45.7	22%	0.224	25%	0.25	C	S	.	.	H	α-helix	trans	-92.5	-0.2	-176.6	60.7	0	0	0	0	114.9	E401 L403 G407 W408 N409	E401-S405 WeakPolarHBondContact O-CB 3.44Å; E401-S405 PolarHBondContact O-N 3.43Å; E401-S405 PolarHBondContact O-OG 3.46Å; L403-S405 VanDerWaalsContact C-N 3.35Å; L403-S405 PolarHBondContact O-N 3.23Å; S405-G407 PolarHBondContact O-N 2.97Å; S405-W408 PolarHBondContact O-N 3.46Å; S405-N409 WeakPolarHBondContact O-CB 3.46Å; S405-N409 VanDerWaalsContact O-CG 3.23Å; S405-N409 PolarHBondContact O-N 2.78Å; S405-N409 PolarHBondContact O-ND2 3.17Å; S405-N409 PolarHBondContact OG-ND2 3.42Å
406	T	93.7	Very high	91.4	Very high	10 Å²	10	46.6 Å²	46.6	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-48	-50	-174.5	46.9	0	0	0	0	114.8	V351 L402 L403 N409 C410 P449	V351-T406 HydrophobicContact CB-CG2 4.42Å; V351-T406 HydrophobicContact CG1-CG2 4Å; V351-T406 HydrophobicContact CG2-CG2 4.18Å; L402-T406 WeakPolarHBondContact O-CG2 3.05Å; L402-T406 PolarHBondContact O-N 2.99Å; L402-T406 VanDerWaalsContact O-N 3.12Å; L403-T406 WeakPolarHBondContact O-CG2 3.48Å; L403-T406 PolarHBondContact O-OG1 2.85Å; T406-N409 PolarHBondContact O-N 3.34Å; T406-C410 WeakPolarHBondContact O-CB 3.45Å; T406-C410 PolarHBondContact O-N 3.34Å; T406-C410 PolarHBondContact O-SG 3.32Å; T406-P449 HydrophobicContact CG2-CB 3.96Å; T406-P449 HydrophobicContact CG2-CG 3.47Å; T406-P449 VanDerWaalsContact CG2-CG 3.47Å
407	G	93	Very high	91.1	Very high	13 Å²	13	47.1 Å²	47.1	13%	0.134	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-46.4	-176.3	0	0	0	0	0	112.8	G344 S405 C410 A411	G344-G407 WeakPolarHBondContact CA-O 3.32Å; G344-G407 WeakPolarHBondContact O-CA 3.24Å; S405-G407 PolarHBondContact O-N 2.97Å; G407-C410 PolarHBondContact O-N 3.21Å; G407-A411 WeakPolarHBondContact O-CB 3.48Å; G407-A411 PolarHBondContact O-N 3.19Å
408	W	92.1	Very high	91	Very high	176 Å²	176	46.4 Å²	46.4	67%	0.667	25%	0.251	S	S	*	.	H	α-helix	trans	-64.8	-44	176.4	-77.7	101.4	0	0	0	111.7	P255 S405 C410 A411 V412	P255-W408 HydrophobicContact CG-CH2 4.34Å; S405-W408 PolarHBondContact O-N 3.46Å; W408-C410 VanDerWaalsContact C-N 3.33Å; W408-C410 PolarHBondContact O-N 3.35Å; W408-A411 PolarHBondContact O-N 3.24Å; W408-V412 WeakPolarHBondContact O-CB 3.31Å; W408-V412 VanDerWaalsContact O-CG2 3.27Å; W408-V412 WeakPolarHBondContact O-CG2 3.49Å; W408-V412 PolarHBondContact O-N 3.38Å
409	N	92.2	Very high	90.6	Very high	71 Å²	71	47.8 Å²	47.8	38%	0.38	26%	0.255	S	S	.	.	H	α-helix	trans	-59.6	-44.5	177.7	-68.9	-20.7	0	0	0	111.3	S405 T406 V412 V413	S405-N409 WeakPolarHBondContact O-CB 3.46Å; S405-N409 VanDerWaalsContact O-CG 3.23Å; S405-N409 PolarHBondContact O-N 2.78Å; S405-N409 PolarHBondContact O-ND2 3.17Å; S405-N409 PolarHBondContact OG-ND2 3.42Å; T406-N409 PolarHBondContact O-N 3.34Å; N409-V412 PolarHBondContact O-N 2.81Å; N409-V413 WeakPolarHBondContact O-CB 3.29Å; N409-V413 WeakPolarHBondContact O-CG2 3.34Å; N409-V413 PolarHBondContact O-N 3.18Å
410	C	94.2	Very high	90	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.02	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-45.2	177.4	-70	0	0	0	0	112.1	A347 T406 G407 W408 V412 V413 F414 L442	A347-C410 HydrophobicContact CB-CB 3.88Å; T406-C410 WeakPolarHBondContact O-CB 3.45Å; T406-C410 PolarHBondContact O-N 3.34Å; T406-C410 PolarHBondContact O-SG 3.32Å; G407-C410 PolarHBondContact O-N 3.21Å; W408-C410 VanDerWaalsContact C-N 3.33Å; W408-C410 PolarHBondContact O-N 3.35Å; C410-V412 PolarHBondContact O-N 3.36Å; C410-V413 PolarHBondContact O-N 2.96Å; C410-F414 WeakPolarHBondContact O-CB 3.47Å; C410-F414 PolarHBondContact O-N 3.46Å; C410-L442 HydrophobicContact CB-CD2 3.89Å; C410-L442 WeakPolarHBondContact O-CD2 3.42Å
411	A	93.8	Very high	89.2	Confident	15 Å²	15	47.1 Å²	47.1	12%	0.124	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-44.7	177.4	0	0	0	0	0	111.9	A340 G407 W408 F414 L415	A340-A411 HydrophobicContact CB-CB 4.46Å; A340-A411 WeakPolarHBondContact O-CB 3.47Å; G407-A411 WeakPolarHBondContact O-CB 3.48Å; G407-A411 PolarHBondContact O-N 3.19Å; W408-A411 PolarHBondContact O-N 3.24Å; A411-F414 PolarHBondContact O-N 3.28Å; A411-L415 WeakPolarHBondContact O-CG 3.44Å; A411-L415 PolarHBondContact O-N 3.33Å
412	V	91.6	Very high	88.6	Confident	84 Å²	84	43.5 Å²	43.5	51%	0.509	24%	0.237	S	C	.	.	H	α-helix	trans	-65.8	-43.4	178	171.8	0	0	0	0	111.3	W408 N409 C410 F414 L415 F416	W408-V412 WeakPolarHBondContact O-CB 3.31Å; W408-V412 VanDerWaalsContact O-CG2 3.27Å; W408-V412 WeakPolarHBondContact O-CG2 3.49Å; W408-V412 PolarHBondContact O-N 3.38Å; N409-V412 PolarHBondContact O-N 2.81Å; C410-V412 PolarHBondContact O-N 3.36Å; V412-F414 VanDerWaalsContact C-N 3.33Å; V412-F414 PolarHBondContact O-N 3.05Å; V412-L415 PolarHBondContact O-N 3.47Å; V412-F416 VanDerWaalsContact O-CB 3.28Å; V412-F416 WeakPolarHBondContact O-CB 3.43Å; V412-F416 PolarHBondContact O-N 3.29Å
413	V	89.8	Confident	88	Confident	50 Å²	50	41 Å²	41	30%	0.303	22%	0.224	S	C	.	.	H	α-helix	trans	-61.1	-43.2	176.3	168.3	0	0	0	0	110.7	N409 C410 F416 L417 V441 L442	N409-V413 WeakPolarHBondContact O-CB 3.29Å; N409-V413 WeakPolarHBondContact O-CG2 3.34Å; N409-V413 PolarHBondContact O-N 3.18Å; C410-V413 PolarHBondContact O-N 2.96Å; V413-F416 PolarHBondContact O-N 3.45Å; V413-L417 HydrophobicContact CG1-CD1 4.27Å; V413-L417 WeakPolarHBondContact O-CG 3.38Å; V413-L417 PolarHBondContact O-N 2.97Å; V413-V441 HydrophobicContact CG1-CG1 3.9Å; V413-L442 HydrophobicContact CB-CD2 4.35Å; V413-L442 HydrophobicContact CG1-CD2 4.24Å
414	F	91.5	Very high	87.5	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.009	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-48	176.9	-170.1	-93.1	0	0	0	111.8	V336 A339 A340 F343 C410 A411 V412 F416 L417 A418 M423 L442	V336-F414 HydrophobicContact CG1-CE1 4.41Å; A339-F414 HydrophobicContact CB-CE1 3.88Å; A339-F414 HydrophobicContact CB-CZ 4.23Å; A340-F414 HydrophobicContact CB-CB 4.38Å; A340-F414 HydrophobicContact CB-CD1 3.82Å; F343-F414 HydrophobicContact CD2-CD2 4.35Å; F343-F414 AromaticContact CD2-CE2 3.98Å; F343-F414 HydrophobicContact CD2-CE2 3.98Å; F343-F414 HydrophobicContact CD2-CZ 4.12Å; F343-F414 HydrophobicContact CE2-CE2 4.21Å; F343-F414 HydrophobicContact CE2-CZ 4.19Å; C410-F414 WeakPolarHBondContact O-CB 3.47Å; C410-F414 PolarHBondContact O-N 3.46Å; A411-F414 PolarHBondContact O-N 3.28Å; V412-F414 VanDerWaalsContact C-N 3.33Å; V412-F414 PolarHBondContact O-N 3.05Å; F414-F416 VanDerWaalsContact C-N 3.33Å; F414-F416 PolarHBondContact O-N 2.73Å; F414-L417 PolarHBondContact O-N 3.26Å; F414-A418 WeakPolarHBondContact O-CB 3.24Å; F414-A418 PolarHBondContact O-N 3.12Å; F414-M423 HydrophobicContact CZ-CE 4.38Å; F414-L442 HydrophobicContact CB-CD1 4.23Å; F414-L442 HydrophobicContact CB-CD2 4.21Å; F414-L442 HydrophobicContact CD2-CD1 3.72Å; F414-L442 HydrophobicContact CD2-CG 4.36Å; F414-L442 HydrophobicContact CG-CD1 4.35Å
415	L	90.3	Very high	86.9	Confident	44 Å²	44	41.8 Å²	41.8	23%	0.23	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-44.6	176.4	-77.8	175.6	0	0	0	111.8	V336 A340 A411 V412 L417 A418 F419	V336-L415 HydrophobicContact CG1-CD2 4.14Å; A340-L415 HydrophobicContact CB-CD1 4.27Å; A340-L415 HydrophobicContact CB-CD2 3.87Å; A340-L415 HydrophobicContact CB-CG 3.63Å; A411-L415 WeakPolarHBondContact O-CG 3.44Å; A411-L415 PolarHBondContact O-N 3.33Å; V412-L415 PolarHBondContact O-N 3.47Å; L415-L417 VanDerWaalsContact C-N 3.32Å; L415-L417 PolarHBondContact O-N 3.17Å; L415-A418 PolarHBondContact O-N 3.27Å; L415-A418 VanDerWaalsContact O-N 3.16Å; L415-F419 HydrophobicContact CB-CD2 4.38Å; L415-F419 HydrophobicContact CB-CE2 4.32Å; L415-F419 WeakPolarHBondContact O-CB 3.23Å; L415-F419 WeakPolarHBondContact O-CD2 3.2Å; L415-F419 PolarHBondContact O-N 3.15Å
416	F	85.3	Confident	86	Confident	52 Å²	52	41 Å²	41	23%	0.228	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-41.4	179	-174	-91.7	0	0	0	112	V412 V413 F414 Q420 I613	V412-F416 VanDerWaalsContact O-CB 3.28Å; V412-F416 WeakPolarHBondContact O-CB 3.43Å; V412-F416 PolarHBondContact O-N 3.29Å; V413-F416 PolarHBondContact O-N 3.45Å; F414-F416 VanDerWaalsContact C-N 3.33Å; F414-F416 PolarHBondContact O-N 2.73Å; F416-Q420 WeakPolarHBondContact O-CB 3.5Å; F416-Q420 PolarHBondContact O-N 2.91Å; F416-I613 HydrophobicContact CD2-CG1 4.21Å; F416-I613 HydrophobicContact CE1-CG2 3.99Å; F416-I613 HydrophobicContact CE2-CB 4.06Å; F416-I613 HydrophobicContact CE2-CD1 4.36Å; F416-I613 HydrophobicContact CE2-CG1 3.69Å; F416-I613 HydrophobicContact CE2-CG2 3.63Å; F416-I613 HydrophobicContact CZ-CB 4.17Å; F416-I613 HydrophobicContact CZ-CG1 4.18Å; F416-I613 HydrophobicContact CZ-CG2 3.23Å
417	L	82.8	Confident	85	Confident	12 Å²	12	42.8 Å²	42.8	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-64.8	-42	173.7	-70.5	176.9	0	0	0	111.8	V413 F414 L415 Q420 S421 Y437 V441	V413-L417 HydrophobicContact CG1-CD1 4.27Å; V413-L417 WeakPolarHBondContact O-CG 3.38Å; V413-L417 PolarHBondContact O-N 2.97Å; F414-L417 PolarHBondContact O-N 3.26Å; L415-L417 VanDerWaalsContact C-N 3.32Å; L415-L417 PolarHBondContact O-N 3.17Å; L417-Q420 PolarHBondContact O-N 3.27Å; L417-S421 PolarHBondContact O-N 3Å; L417-S421 PolarHBondContact O-OG 2.94Å; L417-S421 VanDerWaalsContact O-OG 3.12Å; L417-Y437 HydrophobicContact CD1-CD1 4.36Å; L417-Y437 HydrophobicContact CD1-CE1 4.02Å; L417-Y437 HydrophobicContact CD2-CE1 3.87Å; L417-V441 HydrophobicContact CD1-CB 3.9Å; L417-V441 HydrophobicContact CD1-CG1 3.98Å; L417-V441 HydrophobicContact CD1-CG2 4.13Å
418	A	85.9	Confident	84.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.4	-39.2	177.9	0	0	0	0	0	112.6	W333 V336 F414 L415 S421 D422 M423	W333-A418 HydrophobicContact CZ3-CB 4.4Å; V336-A418 HydrophobicContact CG1-CB 3.46Å; V336-A418 VanDerWaalsContact CG1-CB 3.46Å; F414-A418 WeakPolarHBondContact O-CB 3.24Å; F414-A418 PolarHBondContact O-N 3.12Å; L415-A418 PolarHBondContact O-N 3.27Å; L415-A418 VanDerWaalsContact O-N 3.16Å; A418-S421 PolarHBondContact O-OG 3.48Å; A418-D422 WeakPolarHBondContact O-CA 3.21Å; A418-D422 PolarHBondContact O-N 3.44Å; A418-M423 HydrophobicContact CB-CB 4.03Å; A418-M423 HydrophobicContact CB-CE 3.91Å; A418-M423 HydrophobicContact CB-SD 4.35Å; A418-M423 PolarHBondContact O-N 2.85Å
419	F	81.7	Confident	83.1	Confident	97 Å²	97	36.5 Å²	36.5	43%	0.425	20%	0.201	S	C	.	.	H	α-helix	trans	-65.1	-40.2	171.6	-79.2	-60.2	0	0	0	112.3	W333 L415 D422 I613	W333-F419 HydrophobicContact CD2-CE1 4.46Å; W333-F419 HydrophobicContact CE3-CD1 4.37Å; W333-F419 AromaticContact CE3-CE1 3.9Å; W333-F419 HydrophobicContact CE3-CE1 3.9Å; W333-F419 HydrophobicContact CE3-CZ 4.27Å; W333-F419 AromaticContact CH2-CD1 3.41Å; W333-F419 HydrophobicContact CH2-CD1 3.41Å; W333-F419 VanDerWaalsContact CH2-CD1 3.41Å; W333-F419 AromaticContact CH2-CE1 3.74Å; W333-F419 HydrophobicContact CH2-CE1 3.74Å; W333-F419 HydrophobicContact CH2-CG 4.13Å; W333-F419 HydrophobicContact CZ2-CD1 4.13Å; W333-F419 HydrophobicContact CZ2-CE1 4.27Å; W333-F419 AromaticContact CZ3-CD1 3.53Å; W333-F419 HydrophobicContact CZ3-CD1 3.53Å; W333-F419 AromaticContact CZ3-CE1 3.5Å; W333-F419 HydrophobicContact CZ3-CE1 3.5Å; W333-F419 HydrophobicContact CZ3-CG 4.08Å; W333-F419 HydrophobicContact CZ3-CZ 4.05Å; L415-F419 HydrophobicContact CB-CD2 4.38Å; L415-F419 HydrophobicContact CB-CE2 4.32Å; L415-F419 WeakPolarHBondContact O-CB 3.23Å; L415-F419 WeakPolarHBondContact O-CD2 3.2Å; L415-F419 PolarHBondContact O-N 3.15Å; F419-D422 PolarHBondContact O-N 3.39Å; F419-I613 HydrophobicContact CB-CD1 4.32Å
420	Q	78.1	Confident	82.2	Confident	16 Å²	16	34.5 Å²	34.5	8%	0.075	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-42.4	178.5	-175.2	173.2	9.6	0	0	111.9	F416 L417 R610 I613	F416-Q420 WeakPolarHBondContact O-CB 3.5Å; F416-Q420 PolarHBondContact O-N 2.91Å; L417-Q420 PolarHBondContact O-N 3.27Å; Q420-R610 PolarHBondContact O-NE 3.25Å; Q420-R610 VanDerWaalsContact O-NE 3.17Å; Q420-R610 PolarHBondContact O-NH2 3.38Å; Q420-I613 HydrophobicContact CB-CD1 4.47Å
421	S	75.2	Confident	81.5	Confident	11 Å²	11	35.7 Å²	35.7	8%	0.077	19%	0.192	C	C	.	.	H	α-helix	trans	-82	-11.7	178.6	63.7	0	0	0	0	114.1	L417 A418 M423 L426	L417-S421 PolarHBondContact O-N 3Å; L417-S421 PolarHBondContact O-OG 2.94Å; L417-S421 VanDerWaalsContact O-OG 3.12Å; A418-S421 PolarHBondContact O-OG 3.48Å; S421-M423 VanDerWaalsContact C-N 3.34Å; S421-L426 WeakPolarHBondContact O-CD1 3.39Å
422	D	78.5	Confident	80.8	Confident	53 Å²	53	35.2 Å²	35.2	28%	0.283	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	53.6	-168.2	-162.9	13.1	0	0	0	111.6	W333 A418 F419 P424 N425	W333-D422 WeakPolarHBondContact CZ2-OD1 3.3Å; A418-D422 WeakPolarHBondContact O-CA 3.21Å; A418-D422 PolarHBondContact O-N 3.44Å; F419-D422 PolarHBondContact O-N 3.39Å; D422-P424 VanDerWaalsContact C-CD 3.47Å; D422-N425 PolarHBondContact O-N 2.86Å; D422-N425 PolarHBondContact OD1-ND2 3.46Å; D422-N425 VanDerWaalsContact OD1-ND2 3.09Å; D422-N425 PolarHBondContact OD2-ND2 3.36Å
423	M	80.1	Confident	79.9	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.01	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-48.7	-45.1	-166.4	-162.6	-179.2	-75.7	0	0	114.8	S330 V336 F414 A418 S421 N425 L426 R431 C434	S330-M423 WeakPolarHBondContact CB-SD 3.45Å; V336-M423 HydrophobicContact CG2-CB 4.45Å; V336-M423 HydrophobicContact CG2-SD 4.31Å; F414-M423 HydrophobicContact CZ-CE 4.38Å; A418-M423 HydrophobicContact CB-CB 4.03Å; A418-M423 HydrophobicContact CB-CE 3.91Å; A418-M423 HydrophobicContact CB-SD 4.35Å; A418-M423 PolarHBondContact O-N 2.85Å; S421-M423 VanDerWaalsContact C-N 3.34Å; M423-N425 VanDerWaalsContact C-N 3.31Å; M423-N425 PolarHBondContact O-N 2.97Å; M423-L426 PolarHBondContact O-N 3.38Å; M423-R431 VanDerWaalsContact O-CD 3.24Å; M423-R431 WeakPolarHBondContact O-CD 3.45Å; M423-R431 VanDerWaalsContact O-CG 3.22Å; M423-R431 WeakPolarHBondContact O-CG 3.43Å; M423-C434 HydrophobicContact CE-CB 4.49Å
424	P	83.5	Confident	79.4	Confident	14 Å²	14	32 Å²	32	9%	0.091	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-63.5	-32.6	-179.1	-28.1	40.8	0	0	0	114.7	S330 E331 W333 V336 D422 L426	S330-P424 WeakPolarHBondContact O-CA 3.41Å; E331-P424 WeakPolarHBondContact O-CB 3.34Å; W333-P424 HydrophobicContact CD2-CG 3.73Å; W333-P424 HydrophobicContact CE3-CG 4.2Å; W333-P424 HydrophobicContact CG-CG 3.99Å; W333-P424 HydrophobicContact CH2-CG 4.42Å; W333-P424 HydrophobicContact CZ2-CG 4.04Å; V336-P424 HydrophobicContact CG2-CG 3.99Å; D422-P424 VanDerWaalsContact C-CD 3.47Å; P424-L426 VanDerWaalsContact C-N 3.29Å; P424-L426 PolarHBondContact O-N 2.92Å
425	N	79.3	Confident	79	Confident	120 Å²	120	32 Å²	32	64%	0.642	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-83.1	-7.2	-174.5	-68.6	-21.1	0	0	0	113.1	D422 M423	D422-N425 PolarHBondContact O-N 2.86Å; D422-N425 PolarHBondContact OD1-ND2 3.46Å; D422-N425 VanDerWaalsContact OD1-ND2 3.09Å; D422-N425 PolarHBondContact OD2-ND2 3.36Å; M423-N425 VanDerWaalsContact C-N 3.31Å; M423-N425 PolarHBondContact O-N 2.97Å
426	L	73.9	Confident	78.6	Confident	17 Å²	17	33 Å²	33	9%	0.089	18%	0.176	C	C	.	.	S	Bend	trans	-78.2	148	179.1	-76.1	159.2	0	0	0	111.9	S421 M423 P424 R431 G525	S421-L426 WeakPolarHBondContact O-CD1 3.39Å; M423-L426 PolarHBondContact O-N 3.38Å; P424-L426 VanDerWaalsContact C-N 3.29Å; P424-L426 PolarHBondContact O-N 2.92Å; L426-R431 HydrophobicContact CB-CG 3.6Å; L426-R431 VanDerWaalsContact O-CD 3.26Å; L426-R431 WeakPolarHBondContact O-CD 3.49Å; L426-R431 VanDerWaalsContact O-CG 3.28Å; L426-R431 WeakPolarHBondContact O-CG 3.3Å; L426-G525 WeakPolarHBondContact CD2-O 3.1Å
427	P	72.5	Confident	78.2	Confident	46 Å²	46	31.5 Å²	31.5	30%	0.299	17%	0.169	S	C	.	.			trans	-62.2	156.1	169	-17.3	28	0	0	0	112.1	V429 Y430 R431	P427-V429 PolarHBondContact O-N 2.91Å; P427-Y430 HydrophobicContact CB-CD2 3.91Å; P427-Y430 HydrophobicContact CG-CD2 3.8Å; P427-Y430 HydrophobicContact CG-CE2 4.28Å; P427-Y430 PolarHBondContact O-N 3.49Å; P427-R431 PolarHBondContact O-N 3.41Å
428	P	74.3	Confident	78.2	Confident	21 Å²	21	31 Å²	31	14%	0.136	17%	0.166	C	C	.	.	H	α-helix	trans	-57.4	-37.5	-167.9	15.7	-28.1	0	0	0	115.8	I279 F295 V327 R431 A432	I279-P428 HydrophobicContact CG2-CB 3.67Å; I279-P428 HydrophobicContact CG2-CG 3.7Å; F295-P428 HydrophobicContact CE1-CB 4.47Å; F295-P428 HydrophobicContact CE1-CG 3.82Å; F295-P428 HydrophobicContact CZ-CG 3.79Å; V327-P428 HydrophobicContact CG1-CB 3.54Å; P428-R431 PolarHBondContact O-N 2.92Å; P428-A432 PolarHBondContact O-N 3.4Å
429	V	71.8	Confident	78.2	Confident	37 Å²	37	32.6 Å²	32.6	22%	0.224	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-47.2	174.5	165.2	0	0	0	0	111.7	F295 L300 P427 R431 A432 S433	F295-V429 HydrophobicContact CD1-CB 4.3Å; F295-V429 HydrophobicContact CD1-CG2 2.98Å; F295-V429 HydrophobicContact CE1-CB 4.09Å; F295-V429 HydrophobicContact CE1-CG2 3.14Å; F295-V429 HydrophobicContact CG-CG2 4.13Å; F295-V429 HydrophobicContact CZ-CG2 4.41Å; L300-V429 HydrophobicContact CD2-CG2 3.85Å; P427-V429 PolarHBondContact O-N 2.91Å; V429-R431 VanDerWaalsContact C-N 3.29Å; V429-R431 PolarHBondContact O-N 3.36Å; V429-A432 PolarHBondContact O-N 3.49Å; V429-S433 PolarHBondContact O-N 2.69Å
430	Y	72.4	Confident	78.3	Confident	29 Å²	29	30.8 Å²	30.8	11%	0.114	17%	0.168	C	C	.	.	H	α-helix	trans	-68.6	-33.9	-178.2	-61.1	-73	0	0	0	110.8	P427 S433 C434	P427-Y430 HydrophobicContact CB-CD2 3.91Å; P427-Y430 HydrophobicContact CG-CD2 3.8Å; P427-Y430 HydrophobicContact CG-CE2 4.28Å; P427-Y430 PolarHBondContact O-N 3.49Å; Y430-S433 PolarHBondContact O-N 2.91Å; Y430-C434 VanDerWaalsContact O-CB 3.28Å; Y430-C434 WeakPolarHBondContact O-CB 3.33Å; Y430-C434 PolarHBondContact O-N 3.45Å; Y430-C434 PolarHBondContact O-SG 3.3Å
431	R	79.5	Confident	78.6	Confident	27 Å²	27	31.1 Å²	31.1	10%	0.102	17%	0.171	C	C	.	.	H	α-helix	trans	-59.6	-49.1	169.5	-70.8	-167.4	-56	-158	5.3	112.1	M423 L426 P427 P428 V429 S433 C434 S435	M423-R431 VanDerWaalsContact O-CD 3.24Å; M423-R431 WeakPolarHBondContact O-CD 3.45Å; M423-R431 VanDerWaalsContact O-CG 3.22Å; M423-R431 WeakPolarHBondContact O-CG 3.43Å; L426-R431 HydrophobicContact CB-CG 3.6Å; L426-R431 VanDerWaalsContact O-CD 3.26Å; L426-R431 WeakPolarHBondContact O-CD 3.49Å; L426-R431 VanDerWaalsContact O-CG 3.28Å; L426-R431 WeakPolarHBondContact O-CG 3.3Å; P427-R431 PolarHBondContact O-N 3.41Å; P428-R431 PolarHBondContact O-N 2.92Å; V429-R431 VanDerWaalsContact C-N 3.29Å; V429-R431 PolarHBondContact O-N 3.36Å; R431-S433 VanDerWaalsContact C-N 3.34Å; R431-S433 PolarHBondContact O-N 2.84Å; R431-C434 PolarHBondContact O-N 2.95Å; R431-S435 WeakPolarHBondContact O-CB 3.46Å; R431-S435 PolarHBondContact O-N 3.44Å
432	A	78.3	Confident	79.3	Confident	5 Å²	5	31 Å²	31	4%	0.041	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-46.4	179.2	0	0	0	0	0	111.5	F322 F326 V327 P428 V429 C434 S435 M436	F322-A432 HydrophobicContact CE1-CB 4.32Å; F322-A432 HydrophobicContact CZ-CB 4.4Å; F326-A432 HydrophobicContact CB-CB 4.07Å; V327-A432 HydrophobicContact CG2-CB 3.99Å; P428-A432 PolarHBondContact O-N 3.4Å; V429-A432 PolarHBondContact O-N 3.49Å; A432-C434 PolarHBondContact O-N 2.95Å; A432-S435 PolarHBondContact O-N 3.24Å; A432-M436 WeakPolarHBondContact O-CB 3.36Å; A432-M436 WeakPolarHBondContact O-CG 3.16Å; A432-M436 PolarHBondContact O-N 3Å
433	S	74.3	Confident	79.8	Confident	52 Å²	52	31 Å²	31	36%	0.364	17%	0.172	S	C	.	.	H	α-helix	trans	-60.9	-45.3	176.6	-172	0	0	0	0	112.5	V429 Y430 R431 M436 Y437	V429-S433 PolarHBondContact O-N 2.69Å; Y430-S433 PolarHBondContact O-N 2.91Å; R431-S433 VanDerWaalsContact C-N 3.34Å; R431-S433 PolarHBondContact O-N 2.84Å; S433-M436 PolarHBondContact O-N 3.44Å; S433-Y437 WeakPolarHBondContact O-CB 3.32Å; S433-Y437 PolarHBondContact O-N 3.34Å
434	C	77.9	Confident	80.2	Confident	15 Å²	15	31.3 Å²	31.3	10%	0.101	17%	0.173	C	C	.	.	H	α-helix	trans	-66.6	-38.3	177.8	-71	0	0	0	0	112.4	M423 Y430 R431 A432 Y437 G438	M423-C434 HydrophobicContact CE-CB 4.49Å; Y430-C434 VanDerWaalsContact O-CB 3.28Å; Y430-C434 WeakPolarHBondContact O-CB 3.33Å; Y430-C434 PolarHBondContact O-N 3.45Å; Y430-C434 PolarHBondContact O-SG 3.3Å; R431-C434 PolarHBondContact O-N 2.95Å; A432-C434 PolarHBondContact O-N 2.95Å; C434-Y437 WeakPolarHBondContact O-CB 3.47Å; C434-Y437 PolarHBondContact O-N 2.82Å; C434-G438 PolarHBondContact O-N 3.5Å
435	S	83.5	Confident	80.5	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.007	18%	0.179	C	C	.	.	H	α-helix	trans	-71.1	-38.1	178	-170.1	0	0	0	0	111.7	F326 R431 A432 G438 I439	F326-S435 WeakPolarHBondContact CD1-OG 3.36Å; R431-S435 WeakPolarHBondContact O-CB 3.46Å; R431-S435 PolarHBondContact O-N 3.44Å; A432-S435 PolarHBondContact O-N 3.24Å; S435-G438 WeakPolarHBondContact O-CA 3.4Å; S435-G438 PolarHBondContact O-N 3.29Å; S435-I439 PolarHBondContact O-N 3.44Å
436	M	81.2	Confident	81.1	Confident	65 Å²	65	26.4 Å²	26.4	32%	0.32	15%	0.15	S	C	.	.	H	α-helix	trans	-61.4	-44.1	171	-77.5	-175.3	67.2	0	0	111.6	F322 F326 A432 S433 G438 I439 M440	F322-M436 HydrophobicContact CE2-SD 3.81Å; F322-M436 HydrophobicContact CZ-SD 3.97Å; F326-M436 HydrophobicContact CD1-CG 4.15Å; F326-M436 HydrophobicContact CD2-CG 4.44Å; F326-M436 HydrophobicContact CE1-CG 3.95Å; F326-M436 HydrophobicContact CE2-CG 4.29Å; F326-M436 HydrophobicContact CG-CG 4.37Å; F326-M436 HydrophobicContact CZ-CG 4.05Å; A432-M436 WeakPolarHBondContact O-CB 3.36Å; A432-M436 WeakPolarHBondContact O-CG 3.16Å; A432-M436 PolarHBondContact O-N 3Å; S433-M436 PolarHBondContact O-N 3.44Å; M436-G438 VanDerWaalsContact C-N 3.28Å; M436-G438 PolarHBondContact O-N 3.03Å; M436-I439 PolarHBondContact O-N 3.46Å; M436-M440 WeakPolarHBondContact O-CG 3.04Å; M436-M440 PolarHBondContact O-N 2.91Å
437	Y	77.9	Confident	82	Confident	21 Å²	21	26.3 Å²	26.3	8%	0.082	15%	0.15	C	C	.	.	H	α-helix	trans	-55.7	-45.9	171.8	171.9	-80.7	0	0	0	111.2	L417 S433 C434 I439 M440 V441 R534 I538	L417-Y437 HydrophobicContact CD1-CD1 4.36Å; L417-Y437 HydrophobicContact CD1-CE1 4.02Å; L417-Y437 HydrophobicContact CD2-CE1 3.87Å; S433-Y437 WeakPolarHBondContact O-CB 3.32Å; S433-Y437 PolarHBondContact O-N 3.34Å; C434-Y437 WeakPolarHBondContact O-CB 3.47Å; C434-Y437 PolarHBondContact O-N 2.82Å; Y437-I439 PolarHBondContact O-N 3.23Å; Y437-M440 PolarHBondContact O-N 2.73Å; Y437-V441 HydrophobicContact CD1-CG2 4.21Å; Y437-V441 HydrophobicContact CE1-CG2 3.63Å; Y437-V441 WeakPolarHBondContact O-CG2 3.44Å; Y437-V441 PolarHBondContact O-N 3.34Å; Y437-R534 HydrophobicContact CD2-CB 4.09Å; Y437-R534 HydrophobicContact CE2-CB 3.56Å; Y437-R534 HydrophobicContact CE2-CG 4.3Å; Y437-R534 WeakPolarHBondContact CE2-O 3.43Å; Y437-R534 PolarHBondContact OH-O 3Å; Y437-I538 HydrophobicContact CD2-CD1 3.24Å; Y437-I538 HydrophobicContact CD2-CG1 4.02Å; Y437-I538 HydrophobicContact CE2-CD1 3.03Å; Y437-I538 HydrophobicContact CE2-CG1 3.29Å; Y437-I538 HydrophobicContact CG-CD1 4.25Å
438	G	83.4	Confident	82.9	Confident	1 Å²	1	26 Å²	26	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-54.8	-50.8	175.8	0	0	0	0	0	112.2	C434 S435 M436 M440 V441 L442	C434-G438 PolarHBondContact O-N 3.5Å; S435-G438 WeakPolarHBondContact O-CA 3.4Å; S435-G438 PolarHBondContact O-N 3.29Å; M436-G438 VanDerWaalsContact C-N 3.28Å; M436-G438 PolarHBondContact O-N 3.03Å; G438-M440 VanDerWaalsContact C-N 3.34Å; G438-M440 PolarHBondContact O-N 3.18Å; G438-V441 PolarHBondContact O-N 2.88Å; G438-L442 WeakPolarHBondContact O-CG 3.4Å; G438-L442 PolarHBondContact O-N 2.99Å
439	I	85.6	Confident	83.9	Confident	34 Å²	34	25.3 Å²	25.3	17%	0.174	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-41.5	177.8	-66	-166.4	0	0	0	111.9	F326 F343 S435 M436 Y437 V441 L442 V443	F326-I439 HydrophobicContact CD1-CD1 4.43Å; F326-I439 HydrophobicContact CE1-CD1 3.28Å; F326-I439 HydrophobicContact CE1-CG1 4.03Å; F326-I439 HydrophobicContact CZ-CD1 3.64Å; F343-I439 HydrophobicContact CD1-CD1 4.36Å; F343-I439 HydrophobicContact CE1-CD1 3.55Å; F343-I439 HydrophobicContact CE1-CG1 4.23Å; F343-I439 HydrophobicContact CE2-CD1 4.31Å; F343-I439 HydrophobicContact CZ-CD1 3.54Å; F343-I439 HydrophobicContact CZ-CG1 4.17Å; S435-I439 PolarHBondContact O-N 3.44Å; M436-I439 PolarHBondContact O-N 3.46Å; Y437-I439 PolarHBondContact O-N 3.23Å; I439-V441 VanDerWaalsContact C-N 3.33Å; I439-V441 PolarHBondContact O-N 3.45Å; I439-L442 WeakPolarHBondContact O-CB 3.4Å; I439-L442 PolarHBondContact O-N 3.44Å; I439-L442 VanDerWaalsContact O-N 3.11Å; I439-V443 HydrophobicContact CG2-CG2 4.39Å; I439-V443 WeakPolarHBondContact O-CG2 3.36Å; I439-V443 PolarHBondContact O-N 3.22Å
440	M	83	Confident	85	Confident	59 Å²	59	23.6 Å²	23.6	29%	0.291	13%	0.129	S	C	.	.	H	α-helix	trans	-62	-41.9	178.3	-67.5	-63.6	136.9	0	0	111.8	M436 Y437 G438 L442 V443 I444 L494	M436-M440 WeakPolarHBondContact O-CG 3.04Å; M436-M440 PolarHBondContact O-N 2.91Å; Y437-M440 PolarHBondContact O-N 2.73Å; G438-M440 VanDerWaalsContact C-N 3.34Å; G438-M440 PolarHBondContact O-N 3.18Å; M440-L442 VanDerWaalsContact C-N 3.3Å; M440-L442 PolarHBondContact O-N 3.24Å; M440-V443 PolarHBondContact O-N 2.66Å; M440-I444 WeakPolarHBondContact O-CG1 3.5Å; M440-I444 PolarHBondContact O-N 2.85Å; M440-I444 VanDerWaalsContact O-N 3.13Å; M440-L494 HydrophobicContact CB-CD1 4.5Å; M440-L494 HydrophobicContact CG-CD1 3.99Å; M440-L494 HydrophobicContact SD-CD1 4.2Å
441	V	85.5	Confident	86	Confident	23 Å²	23	23.1 Å²	23.1	14%	0.139	13%	0.128	C	C	.	.	H	α-helix	trans	-64	-37.3	174	176.9	0	0	0	0	111.3	V413 L417 Y437 G438 I439 I444 A445 I538	V413-V441 HydrophobicContact CG1-CG1 3.9Å; L417-V441 HydrophobicContact CD1-CB 3.9Å; L417-V441 HydrophobicContact CD1-CG1 3.98Å; L417-V441 HydrophobicContact CD1-CG2 4.13Å; Y437-V441 HydrophobicContact CD1-CG2 4.21Å; Y437-V441 HydrophobicContact CE1-CG2 3.63Å; Y437-V441 WeakPolarHBondContact O-CG2 3.44Å; Y437-V441 PolarHBondContact O-N 3.34Å; G438-V441 PolarHBondContact O-N 2.88Å; I439-V441 VanDerWaalsContact C-N 3.33Å; I439-V441 PolarHBondContact O-N 3.45Å; V441-I444 PolarHBondContact O-N 2.97Å; V441-A445 WeakPolarHBondContact O-CB 3.18Å; V441-A445 PolarHBondContact O-N 3.42Å; V441-I538 HydrophobicContact CG2-CG1 3.96Å
442	L	90	Very high	86.6	Confident	10 Å²	10	22.3 Å²	22.3	5%	0.052	13%	0.127	C	C	.	.	H	α-helix	trans	-64.3	-41.7	174.8	-66.9	-176.5	0	0	0	112.7	F343 C410 V413 F414 G438 I439 M440 I444 A445 C446	F343-L442 HydrophobicContact CB-CD1 3.68Å; F343-L442 HydrophobicContact CG-CD1 4.22Å; C410-L442 HydrophobicContact CB-CD2 3.89Å; C410-L442 WeakPolarHBondContact O-CD2 3.42Å; V413-L442 HydrophobicContact CB-CD2 4.35Å; V413-L442 HydrophobicContact CG1-CD2 4.24Å; F414-L442 HydrophobicContact CB-CD1 4.23Å; F414-L442 HydrophobicContact CB-CD2 4.21Å; F414-L442 HydrophobicContact CD2-CD1 3.72Å; F414-L442 HydrophobicContact CD2-CG 4.36Å; F414-L442 HydrophobicContact CG-CD1 4.35Å; G438-L442 WeakPolarHBondContact O-CG 3.4Å; G438-L442 PolarHBondContact O-N 2.99Å; I439-L442 WeakPolarHBondContact O-CB 3.4Å; I439-L442 PolarHBondContact O-N 3.44Å; I439-L442 VanDerWaalsContact O-N 3.11Å; M440-L442 VanDerWaalsContact C-N 3.3Å; M440-L442 PolarHBondContact O-N 3.24Å; L442-I444 VanDerWaalsContact C-N 3.29Å; L442-I444 PolarHBondContact O-N 3.2Å; L442-A445 WeakPolarHBondContact O-CB 3.01Å; L442-A445 PolarHBondContact O-N 2.81Å; L442-A445 VanDerWaalsContact O-N 3.15Å; L442-C446 PolarHBondContact O-N 2.87Å; L442-C446 PolarHBondContact O-SG 2.86Å
443	V	88.5	Confident	87.4	Confident	53 Å²	53	22.1 Å²	22.1	32%	0.321	13%	0.125	S	C	.	.	H	α-helix	trans	-59.7	-43.2	175.5	172.3	0	0	0	0	110.4	I439 M440 C446 I447	I439-V443 HydrophobicContact CG2-CG2 4.39Å; I439-V443 WeakPolarHBondContact O-CG2 3.36Å; I439-V443 PolarHBondContact O-N 3.22Å; M440-V443 PolarHBondContact O-N 2.66Å; V443-C446 WeakPolarHBondContact O-CB 3.43Å; V443-C446 PolarHBondContact O-N 2.81Å; V443-I447 HydrophobicContact CG1-CD1 4.39Å; V443-I447 WeakPolarHBondContact O-CG1 3.32Å; V443-I447 PolarHBondContact O-N 3.25Å
444	I	88.1	Confident	88.3	Confident	8 Å²	8	19.6 Å²	19.6	4%	0.041	11%	0.108	C	C	.	.	H	α-helix	trans	-63	-43.8	174.9	-64.3	168.4	0	0	0	110.7	M440 V441 L442 C446 I447 H448 I538	M440-I444 WeakPolarHBondContact O-CG1 3.5Å; M440-I444 PolarHBondContact O-N 2.85Å; M440-I444 VanDerWaalsContact O-N 3.13Å; V441-I444 PolarHBondContact O-N 2.97Å; L442-I444 VanDerWaalsContact C-N 3.29Å; L442-I444 PolarHBondContact O-N 3.2Å; I444-C446 VanDerWaalsContact C-N 3.28Å; I444-C446 PolarHBondContact O-N 3.1Å; I444-I447 PolarHBondContact O-N 3.45Å; I444-H448 PolarHBondContact O-CD2 2.97Å; I444-H448 PolarHBondContact O-N 3.34Å; I444-I538 HydrophobicContact CD1-CG2 3.64Å
445	A	90.5	Very high	89.1	Confident	26 Å²	26	20.6 Å²	20.6	22%	0.215	11%	0.11	C	C	.	.	H	α-helix	trans	-59.7	-36.5	177	0	0	0	0	0	112.5	V441 L442 I447 H448 P449	V441-A445 WeakPolarHBondContact O-CB 3.18Å; V441-A445 PolarHBondContact O-N 3.42Å; L442-A445 WeakPolarHBondContact O-CB 3.01Å; L442-A445 PolarHBondContact O-N 2.81Å; L442-A445 VanDerWaalsContact O-N 3.15Å; A445-I447 VanDerWaalsContact C-N 3.29Å; A445-I447 PolarHBondContact O-N 3.37Å; A445-H448 PolarHBondContact O-N 3.5Å; A445-P449 WeakPolarHBondContact O-CD 3.46Å
446	C	92	Very high	89.5	Confident	5 Å²	5	20.6 Å²	20.6	3%	0.034	11%	0.11	C	C	.	.	H	α-helix	trans	-67.5	-25.8	174.6	-69.2	0	0	0	0	113.7	A347 F350 V351 L442 V443 I444 P449	A347-C446 WeakPolarHBondContact CB-SG 3.44Å; F350-C446 HydrophobicContact CD1-CB 3.74Å; F350-C446 HydrophobicContact CE1-CB 3.94Å; V351-C446 HydrophobicContact CG2-CB 3.78Å; L442-C446 PolarHBondContact O-N 2.87Å; L442-C446 PolarHBondContact O-SG 2.86Å; V443-C446 WeakPolarHBondContact O-CB 3.43Å; V443-C446 PolarHBondContact O-N 2.81Å; I444-C446 VanDerWaalsContact C-N 3.28Å; I444-C446 PolarHBondContact O-N 3.1Å; C446-P449 WeakPolarHBondContact O-CD 3.45Å
447	I	92.1	Very high	90.1	Very high	15 Å²	15	18.9 Å²	18.9	8%	0.077	10%	0.101	C	C	.	.	H	α-helix	trans	-78.5	-30.8	-179.5	-64.6	165.4	0	0	0	111.4	V443 I444 A445 I450 Q451 L483 L545	V443-I447 HydrophobicContact CG1-CD1 4.39Å; V443-I447 WeakPolarHBondContact O-CG1 3.32Å; V443-I447 PolarHBondContact O-N 3.25Å; I444-I447 PolarHBondContact O-N 3.45Å; A445-I447 VanDerWaalsContact C-N 3.29Å; A445-I447 PolarHBondContact O-N 3.37Å; I447-I450 WeakPolarHBondContact O-CB 3.49Å; I447-I450 PolarHBondContact O-N 3.38Å; I447-I450 VanDerWaalsContact O-N 3.11Å; I447-Q451 PolarHBondContact O-N 3.3Å; I447-L483 HydrophobicContact CG2-CD1 4.13Å; I447-L483 HydrophobicContact CG2-CD2 3.71Å; I447-L483 HydrophobicContact CG2-CG 4.46Å; I447-L545 HydrophobicContact CB-CD2 4.21Å; I447-L545 HydrophobicContact CD1-CD2 4.48Å; I447-L545 HydrophobicContact CG2-CD1 3.81Å; I447-L545 HydrophobicContact CG2-CD2 3.63Å; I447-L545 HydrophobicContact CG2-CG 4.33Å
448	H	92	Very high	90.7	Very high	40 Å²	40	17.9 Å²	17.9	19%	0.185	10%	0.097	C	C	.	.	H	α-helix	trans	-56.2	-48	180	-82.8	-71.3	0	0	0	114.7	I444 A445 I450 Q451 A452	I444-H448 PolarHBondContact O-CD2 2.97Å; I444-H448 PolarHBondContact O-N 3.34Å; A445-H448 PolarHBondContact O-N 3.5Å; H448-I450 VanDerWaalsContact C-N 3.26Å; H448-I450 PolarHBondContact O-N 3.37Å; H448-Q451 PolarHBondContact O-N 3.27Å; H448-A452 PolarHBondContact O-N 3.3Å
449	P	94.2	Very high	91.1	Very high	5 Å²	5	18 Å²	18	3%	0.032	10%	0.098	C	C	.	.	H	α-helix	trans	-56.8	-39	174	-22.6	27.9	0	0	0	113	L402 L403 T406 A445 C446 A452 L453	L402-P449 HydrophobicContact CB-CB 4.16Å; L402-P449 HydrophobicContact CB-CG 4.34Å; L403-P449 HydrophobicContact CD2-CB 3.88Å; L403-P449 HydrophobicContact CG-CB 4.34Å; T406-P449 HydrophobicContact CG2-CB 3.96Å; T406-P449 HydrophobicContact CG2-CG 3.47Å; T406-P449 VanDerWaalsContact CG2-CG 3.47Å; A445-P449 WeakPolarHBondContact O-CD 3.46Å; C446-P449 WeakPolarHBondContact O-CD 3.45Å; P449-A452 PolarHBondContact O-N 2.96Å; P449-L453 WeakPolarHBondContact O-CB 3.46Å; P449-L453 PolarHBondContact O-N 3.03Å
450	I	94.2	Very high	91.2	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-68.8	-41.1	178	-56.8	-59.5	0	0	0	110.7	V351 L354 V355 I447 H448 A452 L453 I454 L483	V351-I450 HydrophobicContact CG1-CD1 4.06Å; L354-I450 HydrophobicContact CB-CD1 3.63Å; L354-I450 HydrophobicContact CB-CG1 3.87Å; L354-I450 HydrophobicContact CD1-CG1 3.9Å; V355-I450 HydrophobicContact CG2-CD1 3.64Å; I447-I450 WeakPolarHBondContact O-CB 3.49Å; I447-I450 PolarHBondContact O-N 3.38Å; I447-I450 VanDerWaalsContact O-N 3.11Å; H448-I450 VanDerWaalsContact C-N 3.26Å; H448-I450 PolarHBondContact O-N 3.37Å; I450-A452 VanDerWaalsContact C-N 3.34Å; I450-A452 PolarHBondContact O-N 3.29Å; I450-L453 PolarHBondContact O-N 3.05Å; I450-I454 HydrophobicContact CG2-CD1 3.91Å; I450-I454 HydrophobicContact CG2-CG1 4.42Å; I450-I454 VanDerWaalsContact O-CG1 3.26Å; I450-I454 WeakPolarHBondContact O-CG1 3.27Å; I450-I454 PolarHBondContact O-N 3.07Å; I450-L483 HydrophobicContact CG2-CD1 4.12Å
451	Q	94	Very high	91.4	Very high	20 Å²	20	18.5 Å²	18.5	9%	0.093	10%	0.096	C	C	.	.	H	α-helix	trans	-62.2	-41.1	174.5	173.5	-88.6	-48.3	0	0	111.9	I447 H448 I454 K455 L545 L549	I447-Q451 PolarHBondContact O-N 3.3Å; H448-Q451 PolarHBondContact O-N 3.27Å; Q451-I454 PolarHBondContact O-N 2.98Å; Q451-K455 PolarHBondContact O-N 3.35Å; Q451-L545 HydrophobicContact CB-CD1 3.97Å; Q451-L545 HydrophobicContact CG-CD1 4.12Å; Q451-L549 HydrophobicContact CB-CD2 4.21Å; Q451-L549 HydrophobicContact CG-CD2 3.66Å; Q451-L549 HydrophobicContact CG-CG 4.08Å
452	A	93.4	Very high	91.3	Very high	10 Å²	10	17.5 Å²	17.5	8%	0.083	9%	0.09	C	C	.	.	H	α-helix	trans	-64	-40.9	174.3	0	0	0	0	0	111.9	A399 L402 H448 P449 I450 K455 S456	A399-A452 HydrophobicContact CB-CB 4.12Å; L402-A452 HydrophobicContact CD1-CB 3.91Å; H448-A452 PolarHBondContact O-N 3.3Å; P449-A452 PolarHBondContact O-N 2.96Å; I450-A452 VanDerWaalsContact C-N 3.34Å; I450-A452 PolarHBondContact O-N 3.29Å; A452-K455 VanDerWaalsContact O-CB 3.31Å; A452-K455 WeakPolarHBondContact O-CB 3.49Å; A452-K455 PolarHBondContact O-N 2.93Å; A452-S456 PolarHBondContact O-N 3.42Å; A452-S456 PolarHBondContact O-OG 2.76Å
453	L	94.4	Very high	90.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.2	-38.5	176.1	-174.9	63.7	0	0	0	112.9	V355 L358 T365 L368 L403 P449 I450 K455 S456 F457	V355-L453 HydrophobicContact CG1-CD2 4.37Å; V355-L453 HydrophobicContact CG2-CD2 4.07Å; L358-L453 HydrophobicContact CD2-CB 4.46Å; L358-L453 HydrophobicContact CD2-CD2 3.78Å; L358-L453 HydrophobicContact CD2-CG 3.99Å; T365-L453 HydrophobicContact CG2-CD1 4.41Å; T365-L453 HydrophobicContact CG2-CD2 4.14Å; L368-L453 HydrophobicContact CD2-CD1 3.76Å; L403-L453 HydrophobicContact CD1-CD1 4.2Å; L403-L453 HydrophobicContact CD1-CD2 4.1Å; P449-L453 WeakPolarHBondContact O-CB 3.46Å; P449-L453 PolarHBondContact O-N 3.03Å; I450-L453 PolarHBondContact O-N 3.05Å; L453-K455 VanDerWaalsContact C-N 3.29Å; L453-K455 PolarHBondContact O-N 2.81Å; L453-S456 WeakPolarHBondContact CA-OG 3.39Å; L453-S456 PolarHBondContact O-N 3.46Å; L453-S456 PolarHBondContact O-OG 3.39Å; L453-F457 HydrophobicContact CD1-CD2 4.36Å; L453-F457 HydrophobicContact CD1-CE1 4.01Å; L453-F457 HydrophobicContact CD1-CE2 3.81Å; L453-F457 HydrophobicContact CD1-CZ 3.62Å; L453-F457 HydrophobicContact CD2-CE2 4.01Å; L453-F457 HydrophobicContact CD2-CZ 4.39Å; L453-F457 HydrophobicContact CG-CD2 4.09Å; L453-F457 HydrophobicContact CG-CE2 3.68Å; L453-F457 HydrophobicContact CG-CZ 4.04Å; L453-F457 WeakPolarHBondContact O-CG 3.27Å; L453-F457 PolarHBondContact O-N 3.35Å
454	I	94.1	Very high	90.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.3	-40.3	172.9	-70.2	163.6	0	0	0	109.9	L358 I450 Q451 F457 L458 P476 F479 C480 L483	L358-I454 HydrophobicContact CD1-CG1 4.08Å; L358-I454 HydrophobicContact CD2-CG1 3.73Å; I450-I454 HydrophobicContact CG2-CD1 3.91Å; I450-I454 HydrophobicContact CG2-CG1 4.42Å; I450-I454 VanDerWaalsContact O-CG1 3.26Å; I450-I454 WeakPolarHBondContact O-CG1 3.27Å; I450-I454 PolarHBondContact O-N 3.07Å; Q451-I454 PolarHBondContact O-N 2.98Å; I454-F457 PolarHBondContact O-N 3.38Å; I454-L458 HydrophobicContact CG2-CD1 3.66Å; I454-L458 HydrophobicContact CG2-CG 4.13Å; I454-L458 WeakPolarHBondContact O-CB 3.36Å; I454-L458 WeakPolarHBondContact O-CG 3.39Å; I454-L458 PolarHBondContact O-N 2.75Å; I454-P476 HydrophobicContact CG2-CB 4.49Å; I454-F479 HydrophobicContact CD1-CB 3.87Å; I454-F479 HydrophobicContact CG1-CB 4.46Å; I454-C480 HydrophobicContact CG2-CB 4.29Å; I454-L483 HydrophobicContact CD1-CD1 3.48Å; I454-L483 VanDerWaalsContact CD1-CD1 3.48Å
455	K	93.9	Very high	89.4	Confident	36 Å²	36	22.2 Å²	22.2	16%	0.157	14%	0.138	C	C	.	.	H	α-helix	trans	-58.3	-52.9	175.9	-169.9	174.5	-177	161.7	0	111	Q451 A452 L453 F457 L458 L459 T552 E555	Q451-K455 PolarHBondContact O-N 3.35Å; A452-K455 VanDerWaalsContact O-CB 3.31Å; A452-K455 WeakPolarHBondContact O-CB 3.49Å; A452-K455 PolarHBondContact O-N 2.93Å; L453-K455 VanDerWaalsContact C-N 3.29Å; L453-K455 PolarHBondContact O-N 2.81Å; K455-F457 PolarHBondContact O-N 2.99Å; K455-L458 PolarHBondContact O-N 3.28Å; K455-L459 HydrophobicContact CD-CD1 4.44Å; K455-L459 HydrophobicContact CG-CD1 3.81Å; K455-L459 HydrophobicContact CG-CG 4.32Å; K455-L459 WeakPolarHBondContact O-CB 3.47Å; K455-L459 VanDerWaalsContact O-CG 3.24Å; K455-L459 WeakPolarHBondContact O-CG 3.5Å; K455-L459 PolarHBondContact O-N 3.16Å; K455-T552 HydrophobicContact CB-CG2 3.69Å; K455-T552 HydrophobicContact CD-CG2 3.71Å; K455-T552 HydrophobicContact CG-CG2 3.56Å; K455-E555 WeakPolarHBondContact CE-OE2 3.26Å; K455-E555 IonicContact NZ-OE1 3.82Å; K455-E555 IonicContact NZ-OE2 2.94Å; K455-E555 PolarHBondContact NZ-OE2 3.09Å
456	S	92.4	Very high	88.6	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.007	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-47.3	179.7	52	0	0	0	0	111.8	D396 A452 L453 L459 R460	D396-S456 WeakPolarHBondContact OD1-CB 3.41Å; A452-S456 PolarHBondContact O-N 3.42Å; A452-S456 PolarHBondContact O-OG 2.76Å; L453-S456 WeakPolarHBondContact CA-OG 3.39Å; L453-S456 PolarHBondContact O-N 3.46Å; L453-S456 PolarHBondContact O-OG 3.39Å; S456-L459 PolarHBondContact O-N 3.39Å; S456-R460 VanDerWaalsContact O-CB 3.3Å; S456-R460 WeakPolarHBondContact O-CB 3.47Å; S456-R460 PolarHBondContact O-N 2.77Å
457	F	92.3	Very high	87.7	Confident	29 Å²	29	32.4 Å²	32.4	13%	0.127	18%	0.181	C	C	.	.	H	α-helix	trans	-62.1	-48.7	178.8	-70.6	-22.4	0	0	0	113.5	L358 D359 T365 L453 I454 K455 L459 R460 L461	L358-F457 HydrophobicContact CD2-CD2 4.12Å; L358-F457 HydrophobicContact CD2-CE2 4.11Å; L358-F457 HydrophobicContact CG-CD2 4.38Å; L358-F457 HydrophobicContact CG-CE2 4.33Å; D359-F457 HydrophobicContact CB-CE2 4.23Å; D359-F457 HydrophobicContact CB-CZ 4.49Å; T365-F457 HydrophobicContact CG2-CE2 4.49Å; T365-F457 HydrophobicContact CG2-CZ 3.84Å; L453-F457 HydrophobicContact CD1-CD2 4.36Å; L453-F457 HydrophobicContact CD1-CE1 4.01Å; L453-F457 HydrophobicContact CD1-CE2 3.81Å; L453-F457 HydrophobicContact CD1-CZ 3.62Å; L453-F457 HydrophobicContact CD2-CE2 4.01Å; L453-F457 HydrophobicContact CD2-CZ 4.39Å; L453-F457 HydrophobicContact CG-CD2 4.09Å; L453-F457 HydrophobicContact CG-CE2 3.68Å; L453-F457 HydrophobicContact CG-CZ 4.04Å; L453-F457 WeakPolarHBondContact O-CG 3.27Å; L453-F457 PolarHBondContact O-N 3.35Å; I454-F457 PolarHBondContact O-N 3.38Å; K455-F457 PolarHBondContact O-N 2.99Å; F457-L459 PolarHBondContact O-N 3.44Å; F457-R460 PolarHBondContact O-N 3.33Å; F457-L461 WeakPolarHBondContact O-CB 3.44Å; F457-L461 WeakPolarHBondContact O-CG 3.44Å; F457-L461 PolarHBondContact O-N 3.44Å
458	L	92.3	Very high	87.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.9	-42.2	-179.4	-74	177.6	0	0	0	112.1	I454 K455 G462 P476 L477 Y556	I454-L458 HydrophobicContact CG2-CD1 3.66Å; I454-L458 HydrophobicContact CG2-CG 4.13Å; I454-L458 WeakPolarHBondContact O-CB 3.36Å; I454-L458 WeakPolarHBondContact O-CG 3.39Å; I454-L458 PolarHBondContact O-N 2.75Å; K455-L458 PolarHBondContact O-N 3.28Å; L458-G462 PolarHBondContact O-N 2.94Å; L458-P476 HydrophobicContact CD2-CB 3.8Å; L458-P476 HydrophobicContact CD2-CG 3.72Å; L458-P476 HydrophobicContact CG-CB 4.05Å; L458-P476 HydrophobicContact CG-CG 4.42Å; L458-L477 HydrophobicContact CD1-CD2 4.28Å; L458-L477 HydrophobicContact CD2-CD2 3.95Å; L458-L477 HydrophobicContact CD2-CG 3.91Å; L458-Y556 HydrophobicContact CB-CD2 3.9Å; L458-Y556 HydrophobicContact CB-CG 4.45Å; L458-Y556 HydrophobicContact CD2-CD2 4.06Å; L458-Y556 HydrophobicContact CD2-CE2 4.05Å; L458-Y556 HydrophobicContact CG-CD2 4.46Å
459	L	89.9	Confident	86.7	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-72.2	-35.9	-179.4	-61.9	-176.7	0	0	0	112	L392 K455 S456 F457 G462 A463 E555 Y559	L392-L459 HydrophobicContact CD1-CB 3.66Å; K455-L459 HydrophobicContact CD-CD1 4.44Å; K455-L459 HydrophobicContact CG-CD1 3.81Å; K455-L459 HydrophobicContact CG-CG 4.32Å; K455-L459 WeakPolarHBondContact O-CB 3.47Å; K455-L459 VanDerWaalsContact O-CG 3.24Å; K455-L459 WeakPolarHBondContact O-CG 3.5Å; K455-L459 PolarHBondContact O-N 3.16Å; S456-L459 PolarHBondContact O-N 3.39Å; F457-L459 PolarHBondContact O-N 3.44Å; L459-G462 CarbonylContact O-C 3.31Å; L459-G462 PolarHBondContact O-N 3.42Å; L459-A463 PolarHBondContact O-N 3.04Å; L459-A463 VanDerWaalsContact O-N 3.13Å; L459-E555 HydrophobicContact CD2-CB 3.82Å; L459-Y559 HydrophobicContact CD2-CD2 3.63Å; L459-Y559 HydrophobicContact CD2-CE2 3.73Å
460	R	88.2	Confident	86.2	Confident	76 Å²	76	45.2 Å²	45.2	29%	0.287	24%	0.238	S	C	.	.	H	α-helix	trans	-67.4	-41.2	175.3	-160.4	94.6	-149.2	-178.8	3	111.5	L392 D393 D396 S456 F457 G462 A463	L392-R460 HydrophobicContact CD1-CB 4.3Å; D393-R460 IonicContact OD1-NH1 2.97Å; D393-R460 PolarHBondContact OD1-NH1 2.98Å; D396-R460 IonicContact OD2-NH1 2.92Å; D396-R460 PolarHBondContact OD2-NH1 3.19Å; S456-R460 VanDerWaalsContact O-CB 3.3Å; S456-R460 WeakPolarHBondContact O-CB 3.47Å; S456-R460 PolarHBondContact O-N 2.77Å; F457-R460 PolarHBondContact O-N 3.33Å; R460-G462 VanDerWaalsContact C-N 3.27Å; R460-G462 PolarHBondContact O-N 3.13Å; R460-A463 WeakPolarHBondContact O-CB 3.33Å; R460-A463 PolarHBondContact O-N 2.89Å
461	L	87.7	Confident	85.7	Confident	28 Å²	28	49 Å²	49	15%	0.147	27%	0.265	C	S	.	.	H	α-helix	trans	-68.1	-27.3	175.3	-70.2	172.6	0	0	0	112.3	F457 T468 E472 H473 P476	F457-L461 WeakPolarHBondContact O-CB 3.44Å; F457-L461 WeakPolarHBondContact O-CG 3.44Å; F457-L461 PolarHBondContact O-N 3.44Å; L461-T468 HydrophobicContact CD2-CG2 3.98Å; L461-E472 HydrophobicContact CD1-CB 4.33Å; L461-E472 HydrophobicContact CD2-CB 4.12Å; L461-H473 VanDerWaalsContact CB-CE1 3.46Å; L461-H473 WeakPolarHBondContact CB-CE1 3.34Å; L461-H473 PolarHBondContact O-CE1 2.94Å; L461-P476 HydrophobicContact CD1-CG 4.32Å
462	G	82.7	Confident	85.2	Confident	2 Å²	2	52.6 Å²	52.6	2%	0.021	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-2.3	175.9	0	0	0	0	0	115.1	L458 L459 R460 Y559	L458-G462 PolarHBondContact O-N 2.94Å; L459-G462 CarbonylContact O-C 3.31Å; L459-G462 PolarHBondContact O-N 3.42Å; R460-G462 VanDerWaalsContact C-N 3.27Å; R460-G462 PolarHBondContact O-N 3.13Å; G462-Y559 WeakPolarHBondContact O-CD1 3.39Å
463	A	82.4	Confident	85	Confident	17 Å²	17	52.4 Å²	52.4	14%	0.14	28%	0.279	C	S	.	.			trans	-62.1	134.1	-175.5	0	0	0	0	0	111.6	L392 L459 R460 G465	L392-A463 HydrophobicContact CD2-CB 4.41Å; L459-A463 PolarHBondContact O-N 3.04Å; L459-A463 VanDerWaalsContact O-N 3.13Å; R460-A463 WeakPolarHBondContact O-CB 3.33Å; R460-A463 PolarHBondContact O-N 2.89Å; A463-G465 PolarHBondContact O-N 3.36Å
464	P	72.2	Confident	84.8	Confident	78 Å²	78	57 Å²	57	51%	0.506	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	133	-178.9	25.7	-33.3	0	0	0	111.1
465	G	72	Confident	84.6	Confident	75 Å²	75	61.5 Å²	61.5	77%	0.773	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.6	-12.7	176.7	0	0	0	0	0	115.8	A463	A463-G465 PolarHBondContact O-N 3.36Å
466	Q	73.9	Confident	84.5	Confident	65 Å²	65	60 Å²	60	30%	0.304	31%	0.313	S	S	.	.			trans	-95.4	121.8	175.9	-163.6	173.5	-33.4	0	0	110.7	T468	Q466-T468 HydrophobicContact CG-CG2 4Å; Q466-T468 PolarHBondContact O-N 3.34Å
467	Q	73.7	Confident	84.5	Confident	180 Å²	180	61.8 Å²	61.8	84%	0.841	32%	0.323	S	S	*	.			trans	-82.6	114.3	171.8	-69.8	-177.6	-3.6	0	0	109.2
468	T	78.7	Confident	84.5	Confident	32 Å²	32	63.5 Å²	63.5	20%	0.196	34%	0.338	C	S	.	.			trans	-124	148.6	178.8	60.7	0	0	0	0	110.7	L461 Q466 H473	L461-T468 HydrophobicContact CD2-CG2 3.98Å; Q466-T468 HydrophobicContact CG-CG2 4Å; Q466-T468 PolarHBondContact O-N 3.34Å; T468-H473 PolarHBondContact OG1-NE2 2.97Å
469	N	84.1	Confident	84.5	Confident	112 Å²	112	65.5 Å²	65.5	60%	0.599	35%	0.347	S	S	*	.			trans	-75	139.7	176	-67.5	-29.7	0	0	0	110.9	S471 E472 H473	N469-S471 PolarHBondContact O-N 3.48Å; N469-S471 VanDerWaalsContact O-N 3.08Å; N469-E472 WeakPolarHBondContact O-CB 3.37Å; N469-E472 PolarHBondContact O-N 2.89Å; N469-H473 PolarHBondContact O-CD2 2.92Å
470	W	83.4	Confident	84.6	Confident	184 Å²	184	65.4 Å²	65.4	70%	0.697	35%	0.346	S	S	*	.	H	α-helix	trans	-56.7	-26.4	177.6	-88.7	89.6	0	0	0	113.7	E472 H473 I474	W470-E472 PolarHBondContact O-N 3.06Å; W470-H473 PolarHBondContact O-N 2.84Å; W470-H473 VanDerWaalsContact O-N 3.15Å; W470-I474 WeakPolarHBondContact O-CG1 3.28Å; W470-I474 PolarHBondContact O-N 3.4Å
471	S	83.2	Confident	84.8	Confident	82 Å²	82	67 Å²	67	57%	0.573	36%	0.359	S	S	*	.	H	α-helix	trans	-59.6	-31.1	176	52.3	0	0	0	0	113.4	N469 H473	N469-S471 PolarHBondContact O-N 3.48Å; N469-S471 VanDerWaalsContact O-N 3.08Å; S471-H473 VanDerWaalsContact C-N 3.34Å
472	E	84.1	Confident	85	Confident	95 Å²	95	69.7 Å²	69.7	44%	0.444	38%	0.376	S	S	.	.	H	α-helix	trans	-73.5	-27.8	179.3	-63.6	177	180	0	0	111.9	L461 N469 W470 P476	L461-E472 HydrophobicContact CD1-CB 4.33Å; L461-E472 HydrophobicContact CD2-CB 4.12Å; N469-E472 WeakPolarHBondContact O-CB 3.37Å; N469-E472 PolarHBondContact O-N 2.89Å; W470-E472 PolarHBondContact O-N 3.06Å; E472-P476 WeakPolarHBondContact O-CD 2.86Å; E472-P476 WeakPolarHBondContact O-CG 3.41Å
473	H	89	Confident	85.3	Confident	6 Å²	6	70.2 Å²	70.2	3%	0.028	38%	0.379	C	S	.	.	H	α-helix	trans	-77.7	-35.1	177.7	-66.3	-98.8	0	0	0	112.6	L461 T468 N469 W470 S471 R475 P476 L477 Y556 Q560	L461-H473 VanDerWaalsContact CB-CE1 3.46Å; L461-H473 WeakPolarHBondContact CB-CE1 3.34Å; L461-H473 PolarHBondContact O-CE1 2.94Å; T468-H473 PolarHBondContact OG1-NE2 2.97Å; N469-H473 PolarHBondContact O-CD2 2.92Å; W470-H473 PolarHBondContact O-N 2.84Å; W470-H473 VanDerWaalsContact O-N 3.15Å; S471-H473 VanDerWaalsContact C-N 3.34Å; H473-R475 VanDerWaalsContact C-N 3.32Å; H473-R475 PolarHBondContact O-N 3Å; H473-P476 VanDerWaalsContact O-CD 3.29Å; H473-P476 WeakPolarHBondContact O-CD 3.28Å; H473-P476 WeakPolarHBondContact O-CG 3.33Å; H473-L477 HydrophobicContact CB-CD1 4.27Å; H473-L477 WeakPolarHBondContact O-CB 3.46Å; H473-L477 VanDerWaalsContact O-CG 3.25Å; H473-L477 WeakPolarHBondContact O-CG 3.27Å; H473-L477 PolarHBondContact O-N 2.85Å; H473-L477 VanDerWaalsContact O-N 3.15Å; H473-Y556 AromaticContact ND1-CE2 3.43Å; H473-Y556 WeakPolarHBondContact ND1-CE2 3.26Å; H473-Y556 AromaticContact ND1-CZ 3.6Å; H473-Y556 PolarHBondContact ND1-OH 3.02Å; H473-Q560 PolarHBondContact CE1-NE2 3.3Å; H473-Q560 VanDerWaalsContact CE1-NE2 3.32Å
474	I	90.5	Very high	85.6	Confident	95 Å²	95	71.5 Å²	71.5	49%	0.487	38%	0.383	S	S	.	.	H	α-helix	trans	-58.7	-43.4	-173.6	-71.2	169.8	0	0	0	111.5	W470 L477 C478	W470-I474 WeakPolarHBondContact O-CG1 3.28Å; W470-I474 PolarHBondContact O-N 3.4Å; I474-L477 PolarHBondContact O-N 3Å; I474-C478 WeakPolarHBondContact O-CB 3.43Å; I474-C478 PolarHBondContact O-N 2.99Å; I474-C478 PolarHBondContact O-SG 2.94Å
475	R	90.1	Very high	86.4	Confident	96 Å²	96	74.1 Å²	74.1	36%	0.362	39%	0.386	S	S	.	.	H	α-helix	trans	-62.9	-57.3	-176.1	-172.2	173.2	68.7	-167.5	12.3	113	L358 D359 H473 L477 C478 F479	L358-R475 VanDerWaalsContact O-CD 3.3Å; L358-R475 WeakPolarHBondContact O-CD 3.46Å; L358-R475 PolarHBondContact O-NE 2.83Å; L358-R475 PolarHBondContact O-NH2 3.29Å; D359-R475 IonicContact OD1-NH2 3.63Å; D359-R475 PolarHBondContact OD1-NH2 2.91Å; H473-R475 VanDerWaalsContact C-N 3.32Å; H473-R475 PolarHBondContact O-N 3Å; R475-L477 VanDerWaalsContact C-N 3.29Å; R475-L477 PolarHBondContact O-N 3.29Å; R475-C478 PolarHBondContact O-N 3.22Å; R475-F479 HydrophobicContact CG-CD2 4.38Å; R475-F479 WeakPolarHBondContact O-CD2 3.28Å; R475-F479 PolarHBondContact O-N 3.34Å
476	P	91.5	Very high	87.1	Confident	4 Å²	4	73 Å²	73	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-63.2	-32.1	176.9	23.6	-32.4	0	0	0	113	L358 I454 L458 L461 E472 H473 F479 C480	L358-P476 HydrophobicContact CD1-CB 4.21Å; I454-P476 HydrophobicContact CG2-CB 4.49Å; L458-P476 HydrophobicContact CD2-CB 3.8Å; L458-P476 HydrophobicContact CD2-CG 3.72Å; L458-P476 HydrophobicContact CG-CB 4.05Å; L458-P476 HydrophobicContact CG-CG 4.42Å; L461-P476 HydrophobicContact CD1-CG 4.32Å; E472-P476 WeakPolarHBondContact O-CD 2.86Å; E472-P476 WeakPolarHBondContact O-CG 3.41Å; H473-P476 VanDerWaalsContact O-CD 3.29Å; H473-P476 WeakPolarHBondContact O-CD 3.28Å; H473-P476 WeakPolarHBondContact O-CG 3.33Å; P476-F479 PolarHBondContact O-N 3.38Å; P476-C480 WeakPolarHBondContact O-CB 3.31Å; P476-C480 PolarHBondContact O-N 2.89Å
477	L	93	Very high	87.6	Confident	38 Å²	38	70 Å²	70	20%	0.199	35%	0.351	C	S	.	.	H	α-helix	trans	-65.6	-45.6	173.5	-74.2	172.7	0	0	0	112.3	L458 H473 I474 R475 F479 C480 I481 L553 Y556	L458-L477 HydrophobicContact CD1-CD2 4.28Å; L458-L477 HydrophobicContact CD2-CD2 3.95Å; L458-L477 HydrophobicContact CD2-CG 3.91Å; H473-L477 HydrophobicContact CB-CD1 4.27Å; H473-L477 WeakPolarHBondContact O-CB 3.46Å; H473-L477 VanDerWaalsContact O-CG 3.25Å; H473-L477 WeakPolarHBondContact O-CG 3.27Å; H473-L477 PolarHBondContact O-N 2.85Å; H473-L477 VanDerWaalsContact O-N 3.15Å; I474-L477 PolarHBondContact O-N 3Å; R475-L477 VanDerWaalsContact C-N 3.29Å; R475-L477 PolarHBondContact O-N 3.29Å; L477-F479 VanDerWaalsContact C-N 3.3Å; L477-F479 PolarHBondContact O-N 3.1Å; L477-C480 WeakPolarHBondContact O-CB 3.41Å; L477-C480 PolarHBondContact O-N 3.27Å; L477-C480 VanDerWaalsContact O-N 3.14Å; L477-I481 WeakPolarHBondContact O-CG1 3.33Å; L477-I481 PolarHBondContact O-N 2.86Å; L477-L553 HydrophobicContact CD2-CD2 3.91Å; L477-Y556 HydrophobicContact CD1-CE1 4.01Å; L477-Y556 HydrophobicContact CD2-CD1 4.02Å; L477-Y556 HydrophobicContact CD2-CE1 3.85Å; L477-Y556 HydrophobicContact CG-CE1 4.41Å
478	C	92.3	Very high	88.1	Confident	66 Å²	66	67 Å²	67	45%	0.446	34%	0.335	S	S	.	.	H	α-helix	trans	-58.7	-43.5	174.1	-75.3	0	0	0	0	111.1	I474 R475 C480 I481 V482	I474-C478 WeakPolarHBondContact O-CB 3.43Å; I474-C478 PolarHBondContact O-N 2.99Å; I474-C478 PolarHBondContact O-SG 2.94Å; R475-C478 PolarHBondContact O-N 3.22Å; C478-C480 VanDerWaalsContact C-N 3.34Å; C478-C480 PolarHBondContact O-N 3.27Å; C478-I481 PolarHBondContact O-N 2.87Å; C478-V482 VanDerWaalsContact O-CG2 3.31Å; C478-V482 WeakPolarHBondContact O-CG2 3.48Å; C478-V482 PolarHBondContact O-N 3.05Å
479	F	92.9	Very high	88.2	Confident	42 Å²	42	67.9 Å²	67.9	18%	0.184	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-42.7	173.8	-97	-89.7	0	0	0	112.6	L357 L358 I454 R475 P476 L477 I481 V482 L483	L357-F479 VanDerWaalsContact C-CZ 3.47Å; L357-F479 HydrophobicContact CB-CE1 4.33Å; L357-F479 HydrophobicContact CB-CE2 4.44Å; L357-F479 HydrophobicContact CB-CZ 3.55Å; L357-F479 WeakPolarHBondContact O-CE2 3.38Å; L358-F479 HydrophobicContact CB-CD1 4.46Å; L358-F479 HydrophobicContact CB-CD2 4.42Å; L358-F479 HydrophobicContact CB-CE1 4.33Å; L358-F479 HydrophobicContact CB-CE2 4.29Å; L358-F479 HydrophobicContact CB-CZ 4.25Å; L358-F479 HydrophobicContact CD1-CB 3.88Å; L358-F479 HydrophobicContact CD1-CD1 4.31Å; L358-F479 HydrophobicContact CD1-CD2 3.67Å; L358-F479 HydrophobicContact CD1-CE2 4.33Å; L358-F479 HydrophobicContact CD1-CG 3.67Å; I454-F479 HydrophobicContact CD1-CB 3.87Å; I454-F479 HydrophobicContact CG1-CB 4.46Å; R475-F479 HydrophobicContact CG-CD2 4.38Å; R475-F479 WeakPolarHBondContact O-CD2 3.28Å; R475-F479 PolarHBondContact O-N 3.34Å; P476-F479 PolarHBondContact O-N 3.38Å; L477-F479 VanDerWaalsContact C-N 3.3Å; L477-F479 PolarHBondContact O-N 3.1Å; F479-I481 PolarHBondContact O-N 3.45Å; F479-V482 PolarHBondContact O-N 3.19Å; F479-L483 WeakPolarHBondContact O-CB 3.46Å; F479-L483 WeakPolarHBondContact O-CG 3.48Å; F479-L483 PolarHBondContact O-N 2.89Å
480	C	91.6	Very high	87.8	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-44.8	175.9	-167.2	0	0	0	0	111.5	I454 P476 L477 C478 V482 L483 I484 L553	I454-C480 HydrophobicContact CG2-CB 4.29Å; P476-C480 WeakPolarHBondContact O-CB 3.31Å; P476-C480 PolarHBondContact O-N 2.89Å; L477-C480 WeakPolarHBondContact O-CB 3.41Å; L477-C480 PolarHBondContact O-N 3.27Å; L477-C480 VanDerWaalsContact O-N 3.14Å; C478-C480 VanDerWaalsContact C-N 3.34Å; C478-C480 PolarHBondContact O-N 3.27Å; C480-V482 PolarHBondContact O-N 3.48Å; C480-L483 PolarHBondContact O-N 3.42Å; C480-I484 VanDerWaalsContact O-CG1 3.29Å; C480-I484 WeakPolarHBondContact O-CG1 3.4Å; C480-I484 PolarHBondContact O-N 3.22Å; C480-L553 HydrophobicContact CB-CD2 4.33Å
481	I	91.2	Very high	87.4	Confident	111 Å²	111	57.9 Å²	57.9	57%	0.569	30%	0.297	S	S	*	.	H	α-helix	trans	-62.7	-44.2	176.8	-65.5	165.7	0	0	0	111	L477 C478 F479 L483 I484 F485	L477-I481 WeakPolarHBondContact O-CG1 3.33Å; L477-I481 PolarHBondContact O-N 2.86Å; C478-I481 PolarHBondContact O-N 2.87Å; F479-I481 PolarHBondContact O-N 3.45Å; I481-L483 VanDerWaalsContact C-N 3.34Å; I481-L483 PolarHBondContact O-N 3.07Å; I481-I484 PolarHBondContact O-N 2.9Å; I481-F485 WeakPolarHBondContact O-CB 3.43Å; I481-F485 PolarHBondContact O-N 3.45Å
482	V	91.6	Very high	87.1	Confident	83 Å²	83	57.1 Å²	57.1	50%	0.503	29%	0.289	S	S	.	.	H	α-helix	trans	-60.9	-44.1	175.5	171.4	0	0	0	0	110.5	C478 F479 C480 F485 T486	C478-V482 VanDerWaalsContact O-CG2 3.31Å; C478-V482 WeakPolarHBondContact O-CG2 3.48Å; C478-V482 PolarHBondContact O-N 3.05Å; F479-V482 PolarHBondContact O-N 3.19Å; C480-V482 PolarHBondContact O-N 3.48Å; V482-F485 CarbonylContact O-C 3.46Å; V482-F485 PolarHBondContact O-N 2.91Å; V482-T486 HydrophobicContact CG1-CG2 4.31Å; V482-T486 WeakPolarHBondContact O-CG2 3.4Å; V482-T486 PolarHBondContact O-N 3.04Å; V482-T486 PolarHBondContact O-OG1 3.06Å
483	L	90.3	Very high	86.4	Confident	14 Å²	14	55.3 Å²	55.3	7%	0.073	29%	0.285	C	S	.	.	H	α-helix	trans	-67.6	-34.1	178.3	-71.6	-176.4	0	0	0	113.4	I447 I450 I454 F479 C480 I481 F485 T486 A487 L549	I447-L483 HydrophobicContact CG2-CD1 4.13Å; I447-L483 HydrophobicContact CG2-CD2 3.71Å; I447-L483 HydrophobicContact CG2-CG 4.46Å; I450-L483 HydrophobicContact CG2-CD1 4.12Å; I454-L483 HydrophobicContact CD1-CD1 3.48Å; I454-L483 VanDerWaalsContact CD1-CD1 3.48Å; F479-L483 WeakPolarHBondContact O-CB 3.46Å; F479-L483 WeakPolarHBondContact O-CG 3.48Å; F479-L483 PolarHBondContact O-N 2.89Å; C480-L483 PolarHBondContact O-N 3.42Å; I481-L483 VanDerWaalsContact C-N 3.34Å; I481-L483 PolarHBondContact O-N 3.07Å; L483-F485 VanDerWaalsContact C-N 3.34Å; L483-T486 VanDerWaalsContact CA-OG1 3.31Å; L483-T486 WeakPolarHBondContact CA-OG1 3.46Å; L483-T486 PolarHBondContact O-OG1 3.48Å; L483-A487 VanDerWaalsContact O-CB 3.22Å; L483-A487 WeakPolarHBondContact O-CB 3.39Å; L483-A487 PolarHBondContact O-N 3.15Å; L483-L549 HydrophobicContact CB-CD1 3.74Å; L483-L549 HydrophobicContact CB-CD2 4.25Å; L483-L549 HydrophobicContact CD1-CD2 4.3Å
484	I	89.2	Confident	85.4	Confident	44 Å²	44	55.7 Å²	55.7	23%	0.226	29%	0.288	C	S	.	.	H	α-helix	trans	-65.3	-43.1	171.7	-71.1	167.3	0	0	0	109.7	C480 I481 A487 F488 L546 L549 L553	C480-I484 VanDerWaalsContact O-CG1 3.29Å; C480-I484 WeakPolarHBondContact O-CG1 3.4Å; C480-I484 PolarHBondContact O-N 3.22Å; I481-I484 PolarHBondContact O-N 2.9Å; I484-A487 PolarHBondContact O-N 3.41Å; I484-F488 WeakPolarHBondContact O-CB 3.1Å; I484-F488 PolarHBondContact O-N 3.09Å; I484-L546 HydrophobicContact CG2-CD1 4.02Å; I484-L549 HydrophobicContact CD1-CB 4.29Å; I484-L549 HydrophobicContact CG1-CB 3.83Å; I484-L549 HydrophobicContact CG1-CD1 3.92Å; I484-L549 HydrophobicContact CG1-CG 4.45Å; I484-L553 HydrophobicContact CD1-CD1 3.5Å; I484-L553 VanDerWaalsContact CD1-CD1 3.5Å
485	F	88.4	Confident	84.2	Confident	133 Å²	133	54.1 Å²	54.1	58%	0.583	28%	0.284	S	S	*	.	H	α-helix	trans	-65.5	-42.9	176.8	-173.9	-107.1	0	0	0	111.6	I481 V482 L483 F488 N489	I481-F485 WeakPolarHBondContact O-CB 3.43Å; I481-F485 PolarHBondContact O-N 3.45Å; V482-F485 CarbonylContact O-C 3.46Å; V482-F485 PolarHBondContact O-N 2.91Å; L483-F485 VanDerWaalsContact C-N 3.34Å; F485-F488 PolarHBondContact O-N 3.31Å; F485-N489 WeakPolarHBondContact CD1-ND2 3.46Å; F485-N489 WeakPolarHBondContact CE1-ND2 3.15Å; F485-N489 WeakPolarHBondContact CZ-ND2 3.32Å; F485-N489 PolarHBondContact O-N 3.29Å; F485-N489 PolarHBondContact O-ND2 3.44Å
486	T	85.4	Confident	82.7	Confident	50 Å²	50	57.9 Å²	57.9	31%	0.307	30%	0.298	S	S	.	.	H	α-helix	trans	-65.3	-41.1	175.9	59.2	0	0	0	0	111.4	V482 L483 F488 N489 M490	V482-T486 HydrophobicContact CG1-CG2 4.31Å; V482-T486 WeakPolarHBondContact O-CG2 3.4Å; V482-T486 PolarHBondContact O-N 3.04Å; V482-T486 PolarHBondContact O-OG1 3.06Å; L483-T486 VanDerWaalsContact CA-OG1 3.31Å; L483-T486 WeakPolarHBondContact CA-OG1 3.46Å; L483-T486 PolarHBondContact O-OG1 3.48Å; T486-F488 PolarHBondContact O-N 3.49Å; T486-N489 PolarHBondContact O-N 3.25Å; T486-M490 WeakPolarHBondContact O-CG 3.47Å; T486-M490 PolarHBondContact O-N 2.98Å
487	A	84.4	Confident	81.2	Confident	4 Å²	4	62.4 Å²	62.4	3%	0.033	32%	0.321	C	S	.	.	H	α-helix	trans	-59.9	-45.3	172.8	0	0	0	0	0	111.1	L483 I484 N489 M490 F491 L545 L546	L483-A487 VanDerWaalsContact O-CB 3.22Å; L483-A487 WeakPolarHBondContact O-CB 3.39Å; L483-A487 PolarHBondContact O-N 3.15Å; I484-A487 PolarHBondContact O-N 3.41Å; A487-N489 PolarHBondContact O-N 2.87Å; A487-M490 WeakPolarHBondContact O-CA 3.34Å; A487-M490 WeakPolarHBondContact O-CB 3.36Å; A487-M490 PolarHBondContact O-N 3.28Å; A487-M490 VanDerWaalsContact O-N 3.1Å; A487-F491 WeakPolarHBondContact O-CD2 3.25Å; A487-F491 PolarHBondContact O-N 2.98Å; A487-L545 HydrophobicContact CB-CD2 4.34Å; A487-L546 HydrophobicContact CB-CD1 4.49Å
488	F	84.8	Confident	79.4	Confident	115 Å²	115	62.7 Å²	62.7	50%	0.504	32%	0.322	S	S	.	.	H	α-helix	trans	-60.1	-45.5	175.4	-169.6	-98.8	0	0	0	112.8	I484 F485 T486 M490 F491 T492	I484-F488 WeakPolarHBondContact O-CB 3.1Å; I484-F488 PolarHBondContact O-N 3.09Å; F485-F488 PolarHBondContact O-N 3.31Å; T486-F488 PolarHBondContact O-N 3.49Å; F488-M490 VanDerWaalsContact C-N 3.25Å; F488-M490 PolarHBondContact O-N 2.89Å; F488-F491 WeakPolarHBondContact O-CB 3.36Å; F488-F491 PolarHBondContact O-N 2.8Å; F488-T492 HydrophobicContact CD1-CG2 4.19Å; F488-T492 HydrophobicContact CE1-CG2 3.71Å; F488-T492 HydrophobicContact CZ-CG2 3.98Å; F488-T492 PolarHBondContact O-N 3.5Å; F488-T492 VanDerWaalsContact O-N 3.08Å; F488-T492 PolarHBondContact O-OG1 3.37Å
489	N	82.2	Confident	77.5	Confident	51 Å²	51	61.9 Å²	61.9	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-63.9	-32.3	174.2	-75.1	-69.7	0	0	0	112.1	F485 T486 A487 F491 T492 C493	F485-N489 WeakPolarHBondContact CD1-ND2 3.46Å; F485-N489 WeakPolarHBondContact CE1-ND2 3.15Å; F485-N489 WeakPolarHBondContact CZ-ND2 3.32Å; F485-N489 PolarHBondContact O-N 3.29Å; F485-N489 PolarHBondContact O-ND2 3.44Å; T486-N489 PolarHBondContact O-N 3.25Å; A487-N489 PolarHBondContact O-N 2.87Å; N489-F491 VanDerWaalsContact C-N 3.28Å; N489-F491 PolarHBondContact O-N 3.24Å; N489-T492 WeakPolarHBondContact CA-OG1 3.49Å; N489-T492 PolarHBondContact O-N 2.94Å; N489-T492 PolarHBondContact O-OG1 3.5Å; N489-C493 WeakPolarHBondContact O-CB 3.39Å; N489-C493 PolarHBondContact O-N 3.15Å
490	M	75.5	Confident	75.4	Confident	47 Å²	47	64 Å²	64	23%	0.232	33%	0.328	C	S	.	.	H	α-helix	trans	-65.3	-33.7	172.7	-68	-92.2	49.7	0	0	111.5	T486 A487 F488 L494	T486-M490 WeakPolarHBondContact O-CG 3.47Å; T486-M490 PolarHBondContact O-N 2.98Å; A487-M490 WeakPolarHBondContact O-CA 3.34Å; A487-M490 WeakPolarHBondContact O-CB 3.36Å; A487-M490 PolarHBondContact O-N 3.28Å; A487-M490 VanDerWaalsContact O-N 3.1Å; F488-M490 VanDerWaalsContact C-N 3.25Å; F488-M490 PolarHBondContact O-N 2.89Å; M490-L494 HydrophobicContact CE-CB 3.85Å; M490-L494 HydrophobicContact CE-CD1 3.94Å; M490-L494 HydrophobicContact CE-CD2 4.16Å; M490-L494 HydrophobicContact CE-CG 4.22Å; M490-L494 WeakPolarHBondContact O-CB 3.5Å; M490-L494 PolarHBondContact O-N 2.85Å
491	F	74	Confident	73.4	Confident	40 Å²	40	69.4 Å²	69.4	18%	0.175	36%	0.357	C	S	.	.	H	α-helix	trans	-70	-37.5	172.7	-69.4	-71.7	0	0	0	113.9	A487 F488 N489 P495 F539 G542 C543 L546	A487-F491 WeakPolarHBondContact O-CD2 3.25Å; A487-F491 PolarHBondContact O-N 2.98Å; F488-F491 WeakPolarHBondContact O-CB 3.36Å; F488-F491 PolarHBondContact O-N 2.8Å; N489-F491 VanDerWaalsContact C-N 3.28Å; N489-F491 PolarHBondContact O-N 3.24Å; F491-P495 WeakPolarHBondContact O-CD 3.34Å; F491-P495 VanDerWaalsContact O-CG 3.27Å; F491-P495 WeakPolarHBondContact O-CG 3.4Å; F491-F539 AromaticContact CD1-CD2 3.59Å; F491-F539 HydrophobicContact CD1-CD2 3.59Å; F491-F539 AromaticContact CD1-CE2 3.56Å; F491-F539 HydrophobicContact CD1-CE2 3.56Å; F491-F539 AromaticContact CE1-CD2 3.71Å; F491-F539 HydrophobicContact CE1-CD2 3.71Å; F491-F539 AromaticContact CE1-CE2 3.67Å; F491-F539 HydrophobicContact CE1-CE2 3.67Å; F491-F539 HydrophobicContact CE1-CG 4.38Å; F491-F539 HydrophobicContact CE1-CZ 4.33Å; F491-G542 WeakPolarHBondContact CZ-O 3.43Å; F491-C543 VanDerWaalsContact CE1-SG 3.55Å; F491-C543 HydrophobicContact CZ-CB 4.35Å; F491-C543 VanDerWaalsContact CZ-N 3.27Å; F491-L546 HydrophobicContact CE2-CB 4.06Å; F491-L546 HydrophobicContact CE2-CD2 3.78Å; F491-L546 HydrophobicContact CE2-CG 4.48Å; F491-L546 HydrophobicContact CZ-CB 4.43Å; F491-L546 HydrophobicContact CZ-CD2 4.34Å
492	T	76.5	Confident	71.5	Confident	66 Å²	66	67.5 Å²	67.5	41%	0.405	35%	0.345	S	S	.	.	H	α-helix	trans	-86.5	-45.5	-175.5	56.8	0	0	0	0	112.8	F488 N489	F488-T492 HydrophobicContact CD1-CG2 4.19Å; F488-T492 HydrophobicContact CE1-CG2 3.71Å; F488-T492 HydrophobicContact CZ-CG2 3.98Å; F488-T492 PolarHBondContact O-N 3.5Å; F488-T492 VanDerWaalsContact O-N 3.08Å; F488-T492 PolarHBondContact O-OG1 3.37Å; N489-T492 WeakPolarHBondContact CA-OG1 3.49Å; N489-T492 PolarHBondContact O-N 2.94Å; N489-T492 PolarHBondContact O-OG1 3.5Å
493	C	70.4	Confident	69.3	Low	56 Å²	56	68.4 Å²	68.4	38%	0.378	35%	0.347	S	S	.	.	H	α-helix	trans	-81.5	-34.7	-174.3	-65.6	0	0	0	0	112.7	N489 R496 I497	N489-C493 WeakPolarHBondContact O-CB 3.39Å; N489-C493 PolarHBondContact O-N 3.15Å; C493-R496 WeakPolarHBondContact O-CB 3.28Å; C493-R496 PolarHBondContact O-N 3.23Å; C493-R496 VanDerWaalsContact O-N 3.16Å; C493-I497 HydrophobicContact CB-CD1 4.41Å; C493-I497 WeakPolarHBondContact O-CG1 3.14Å; C493-I497 PolarHBondContact O-N 3.49Å
494	L	68.4	Low	67.2	Low	14 Å²	14	73.3 Å²	73.3	7%	0.073	37%	0.369	C	S	.	.	H	α-helix	trans	-67.9	-45	-172.4	-168.9	65.1	0	0	0	113.7	M440 M490 R496 L498 I538	M440-L494 HydrophobicContact CB-CD1 4.5Å; M440-L494 HydrophobicContact CG-CD1 3.99Å; M440-L494 HydrophobicContact SD-CD1 4.2Å; M490-L494 HydrophobicContact CE-CB 3.85Å; M490-L494 HydrophobicContact CE-CD1 3.94Å; M490-L494 HydrophobicContact CE-CD2 4.16Å; M490-L494 HydrophobicContact CE-CG 4.22Å; M490-L494 WeakPolarHBondContact O-CB 3.5Å; M490-L494 PolarHBondContact O-N 2.85Å; L494-R496 PolarHBondContact O-N 2.66Å; L494-L498 HydrophobicContact CD1-CD1 4.25Å; L494-L498 HydrophobicContact CG-CD1 4.02Å; L494-L498 WeakPolarHBondContact O-CB 3.09Å; L494-L498 WeakPolarHBondContact O-CD1 3.26Å; L494-L498 VanDerWaalsContact O-CG 3.27Å; L494-L498 WeakPolarHBondContact O-CG 3.35Å; L494-L498 PolarHBondContact O-N 3.49Å; L494-L498 VanDerWaalsContact O-N 3.15Å; L494-I538 HydrophobicContact CD2-CB 4.19Å; L494-I538 HydrophobicContact CD2-CD1 4.04Å; L494-I538 HydrophobicContact CD2-CG2 3.31Å
495	P	63.6	Low	65.4	Low	62 Å²	62	73.2 Å²	73.2	40%	0.403	37%	0.366	S	S	.	.	H	α-helix	trans	-58.2	-40.5	171.5	-22.8	35	0	0	0	110.7	F491 L498 T499	F491-P495 WeakPolarHBondContact O-CD 3.34Å; F491-P495 VanDerWaalsContact O-CG 3.27Å; F491-P495 WeakPolarHBondContact O-CG 3.4Å; P495-L498 CarbonylContact O-C 3.54Å; P495-L498 PolarHBondContact O-N 2.79Å; P495-T499 WeakPolarHBondContact O-CB 3.24Å; P495-T499 WeakPolarHBondContact O-CG2 3.22Å; P495-T499 PolarHBondContact O-N 3.31Å; P495-T499 PolarHBondContact O-OG1 3.21Å
496	R	59	Low	63.5	Low	175 Å²	175	69.6 Å²	69.6	66%	0.66	35%	0.352	S	S	*	.	H	α-helix	trans	-64.4	-46.9	-177.3	-166.7	175.1	-175	165.4	0.5	113.2	C493 L494 L498 T499 N500	C493-R496 WeakPolarHBondContact O-CB 3.28Å; C493-R496 PolarHBondContact O-N 3.23Å; C493-R496 VanDerWaalsContact O-N 3.16Å; L494-R496 PolarHBondContact O-N 2.66Å; R496-L498 PolarHBondContact O-N 3.24Å; R496-T499 WeakPolarHBondContact CA-OG1 3.26Å; R496-T499 PolarHBondContact O-N 2.86Å; R496-T499 PolarHBondContact O-OG1 2.88Å; R496-T499 VanDerWaalsContact O-OG1 3.13Å; R496-N500 PolarHBondContact O-N 2.99Å; R496-N500 VanDerWaalsContact O-N 3.13Å
497	I	59.9	Low	61.7	Low	99 Å²	99	74.6 Å²	74.6	51%	0.508	37%	0.366	S	S	.	.	H	α-helix	trans	-59.8	-38.7	175.2	-67.3	164.3	0	0	0	110	C493	C493-I497 HydrophobicContact CB-CD1 4.41Å; C493-I497 WeakPolarHBondContact O-CG1 3.14Å; C493-I497 PolarHBondContact O-N 3.49Å
498	L	55	Low	60.1	Low	44 Å²	44	79.5 Å²	79.5	23%	0.23	39%	0.391	C	S	.	.	H	α-helix	trans	-80.5	-25.8	-179.3	-66.2	169	0	0	0	113.7	L494 P495 R496 R535	L494-L498 HydrophobicContact CD1-CD1 4.25Å; L494-L498 HydrophobicContact CG-CD1 4.02Å; L494-L498 WeakPolarHBondContact O-CB 3.09Å; L494-L498 WeakPolarHBondContact O-CD1 3.26Å; L494-L498 VanDerWaalsContact O-CG 3.27Å; L494-L498 WeakPolarHBondContact O-CG 3.35Å; L494-L498 PolarHBondContact O-N 3.49Å; L494-L498 VanDerWaalsContact O-N 3.15Å; P495-L498 CarbonylContact O-C 3.54Å; P495-L498 PolarHBondContact O-N 2.79Å; R496-L498 PolarHBondContact O-N 3.24Å; L498-R535 VanDerWaalsContact C-NH2 3.31Å; L498-R535 HydrophobicContact CD1-CG 4.17Å; L498-R535 PolarHBondContact O-NH2 2.99Å
499	T	53.3	Low	58.4	Low	49 Å²	49	76.5 Å²	76.5	30%	0.301	38%	0.38	S	S	.	.	H	α-helix	trans	-85.6	-36	-177.3	50.8	0	0	0	0	113.7	P495 R496 D501 K502 L503	P495-T499 WeakPolarHBondContact O-CB 3.24Å; P495-T499 WeakPolarHBondContact O-CG2 3.22Å; P495-T499 PolarHBondContact O-N 3.31Å; P495-T499 PolarHBondContact O-OG1 3.21Å; R496-T499 WeakPolarHBondContact CA-OG1 3.26Å; R496-T499 PolarHBondContact O-N 2.86Å; R496-T499 PolarHBondContact O-OG1 2.88Å; R496-T499 VanDerWaalsContact O-OG1 3.13Å; T499-D501 PolarHBondContact O-N 2.77Å; T499-K502 PolarHBondContact O-N 3.42Å; T499-K502 VanDerWaalsContact O-N 3.15Å; T499-L503 PolarHBondContact O-N 3.47Å
500	N	49	Very low	56.9	Low	86 Å²	86	80 Å²	80	46%	0.46	40%	0.398	S	S	.	.	H	α-helix	trans	-55.6	-37.5	-172.2	-88.6	11.1	0	0	0	112	R496	R496-N500 PolarHBondContact O-N 2.99Å; R496-N500 VanDerWaalsContact O-N 3.13Å
501	D	50.1	Low	55.7	Low	114 Å²	114	86.4 Å²	86.4	61%	0.61	43%	0.427	S	S	*	.	H	α-helix	trans	-81.3	-22.1	-176	-60.5	-14.5	0	0	0	114	T499 Y505	T499-D501 PolarHBondContact O-N 2.77Å; D501-Y505 VanDerWaalsContact O-CB 3.32Å; D501-Y505 WeakPolarHBondContact O-CB 3.44Å
502	K	51.4	Low	54.6	Low	71 Å²	71	86.8 Å²	86.8	31%	0.309	44%	0.435	S	S	.	.	H	α-helix	trans	-100.7	-47.6	-172.7	-88.1	-171.2	175.2	-175.9	0	115.2	T499 Y505 I506	T499-K502 PolarHBondContact O-N 3.42Å; T499-K502 VanDerWaalsContact O-N 3.15Å; K502-Y505 PolarHBondContact O-N 2.97Å; K502-I506 WeakPolarHBondContact O-CG1 3.2Å; K502-I506 PolarHBondContact O-N 2.96Å
503	L	44.4	Very low	53.6	Low	103 Å²	103	93 Å²	93	54%	0.539	46%	0.459	S	S	.	.	H	α-helix	trans	-73.8	-35.4	-172.4	-158.7	85	0	0	0	111.4	T499 R507	T499-L503 PolarHBondContact O-N 3.47Å; L503-R507 WeakPolarHBondContact O-CB 3.26Å; L503-R507 PolarHBondContact O-N 3.49Å
504	E	47.3	Very low	52.7	Low	116 Å²	116	94.8 Å²	94.8	54%	0.542	47%	0.465	S	S	.	.	H	α-helix	trans	-68.7	-37.4	175.3	-164	157.2	-170.9	0	0	110.9	N508	E504-N508 VanDerWaalsContact O-CB 3.3Å; E504-N508 WeakPolarHBondContact O-CB 3.01Å; E504-N508 PolarHBondContact O-N 3.12Å; E504-N508 PolarHBondContact O-ND2 2.72Å; E504-N508 PolarHBondContact O-OD1 2.85Å
505	Y	49.6	Very low	52	Low	42 Å²	42	96.9 Å²	96.9	17%	0.165	48%	0.484	C	S	.	.	H	α-helix	trans	-68.2	-50.7	175.9	-175.3	-96.3	0	0	0	113.7	K293 L294 D501 K502 R507 N508 M509	K293-Y505 WeakPolarHBondContact O-CE2 2.8Å; K293-Y505 PolarHBondContact O-OH 3.41Å; L294-Y505 PolarHBondContact N-OH 3.5Å; D501-Y505 VanDerWaalsContact O-CB 3.32Å; D501-Y505 WeakPolarHBondContact O-CB 3.44Å; K502-Y505 PolarHBondContact O-N 2.97Å; Y505-R507 VanDerWaalsContact C-N 3.29Å; Y505-R507 PolarHBondContact O-N 3.21Å; Y505-N508 PolarHBondContact O-N 3.34Å; Y505-M509 HydrophobicContact CD1-CG 4.47Å; Y505-M509 HydrophobicContact CE1-CG 4.03Å; Y505-M509 HydrophobicContact CE2-CE 4.35Å; Y505-M509 HydrophobicContact CE2-CG 4.24Å; Y505-M509 WeakPolarHBondContact O-CB 3.24Å; Y505-M509 PolarHBondContact O-N 3.2Å
506	I	48.6	Very low	51.3	Low	57 Å²	57	97.6 Å²	97.6	29%	0.292	49%	0.491	S	S	.	.	H	α-helix	trans	-61.4	-40.9	177.6	-66	165.8	0	0	0	110.3	K502 N508 M509 N510 E528	K502-I506 WeakPolarHBondContact O-CG1 3.2Å; K502-I506 PolarHBondContact O-N 2.96Å; I506-N508 PolarHBondContact O-N 3.44Å; I506-M509 PolarHBondContact O-N 3.28Å; I506-N510 PolarHBondContact O-N 3.4Å; I506-E528 WeakPolarHBondContact CD1-OE1 3.34Å
507	R	49.3	Very low	50.7	Low	156 Å²	156	97.3 Å²	97.3	59%	0.589	49%	0.491	S	S	*	.	H	α-helix	trans	-63.2	-40.3	176.1	-173.9	-178.2	-66.7	140	-1.4	112.1	L503 Y505 M509	L503-R507 WeakPolarHBondContact O-CB 3.26Å; L503-R507 PolarHBondContact O-N 3.49Å; Y505-R507 VanDerWaalsContact C-N 3.29Å; Y505-R507 PolarHBondContact O-N 3.21Å; R507-M509 VanDerWaalsContact C-N 3.31Å; R507-M509 PolarHBondContact O-N 2.99Å
508	N	49.9	Very low	50.1	Low	106 Å²	106	94.9 Å²	94.9	57%	0.567	48%	0.479	S	S	*	.	H	α-helix	trans	-70.9	-25.9	177.3	-70.2	-8.9	0	0	0	112.5	E504 Y505 I506	E504-N508 VanDerWaalsContact O-CB 3.3Å; E504-N508 WeakPolarHBondContact O-CB 3.01Å; E504-N508 PolarHBondContact O-N 3.12Å; E504-N508 PolarHBondContact O-ND2 2.72Å; E504-N508 PolarHBondContact O-OD1 2.85Å; Y505-N508 PolarHBondContact O-N 3.34Å; I506-N508 PolarHBondContact O-N 3.44Å
509	M	48.6	Very low	49.7	Very low	53 Å²	53	94.9 Å²	94.9	26%	0.261	49%	0.485	S	S	.	.	H	α-helix	trans	-96.2	-18.3	-176	-77.7	-68.7	159.2	0	0	115.7	Y505 I506 R507 H511 S512	Y505-M509 HydrophobicContact CD1-CG 4.47Å; Y505-M509 HydrophobicContact CE1-CG 4.03Å; Y505-M509 HydrophobicContact CE2-CE 4.35Å; Y505-M509 HydrophobicContact CE2-CG 4.24Å; Y505-M509 WeakPolarHBondContact O-CB 3.24Å; Y505-M509 PolarHBondContact O-N 3.2Å; I506-M509 PolarHBondContact O-N 3.28Å; R507-M509 VanDerWaalsContact C-N 3.31Å; R507-M509 PolarHBondContact O-N 2.99Å; M509-H511 PolarHBondContact O-N 2.93Å; M509-S512 PolarHBondContact O-N 3.4Å; M509-S512 PolarHBondContact O-OG 3.43Å
510	N	51.7	Low	49.2	Very low	125 Å²	125	96.9 Å²	96.9	67%	0.668	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-9.4	170.2	-83	-8.9	0	0	0	113.3	I506	I506-N510 PolarHBondContact O-N 3.4Å
511	H	48.9	Very low	48.9	Very low	180 Å²	180	96.2 Å²	96.2	83%	0.833	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	1	170.1	-75.7	-67.4	0	0	0	114.8	M509	M509-H511 PolarHBondContact O-N 2.93Å
512	S	52	Low	48.8	Very low	49 Å²	49	92.5 Å²	92.5	34%	0.343	48%	0.476	S	S	.	.	S	Bend	trans	-114	144.5	-178.1	73.7	0	0	0	0	113.2	M509 N514	M509-S512 PolarHBondContact O-N 3.4Å; M509-S512 PolarHBondContact O-OG 3.43Å; S512-N514 PolarHBondContact O-N 3.45Å
513	E	56	Low	48.4	Very low	196 Å²	196	95.9 Å²	95.9	92%	0.916	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-2.1	-176.4	-71	-179.1	151.5	0	0	115.1
514	N	50	Low	48.3	Very low	94 Å²	94	96.5 Å²	96.5	50%	0.503	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	17	-175.2	-72.9	-19.2	0	0	0	115	S512 S516 Y517 L518	S512-N514 PolarHBondContact O-N 3.45Å; N514-S516 VanDerWaalsContact C-N 3.28Å; N514-S516 PolarHBondContact O-N 2.86Å; N514-Y517 PolarHBondContact O-N 3.38Å; N514-L518 PolarHBondContact O-N 3.31Å
515	A	54	Low	48.4	Very low	57 Å²	57	91.2 Å²	91.2	47%	0.471	47%	0.472	S	S	.	.	H	α-helix	trans	-57.3	-34.1	-176.9	0	0	0	0	0	114.3	A519	A515-A519 WeakPolarHBondContact O-CB 3.35Å; A515-A519 PolarHBondContact O-N 3.34Å
516	S	50.4	Low	48.9	Very low	78 Å²	78	89.5 Å²	89.5	55%	0.545	47%	0.466	S	S	.	.	H	α-helix	trans	-72.2	-43.3	-177.6	57.6	0	0	0	0	113.5	N514 A519 V520	N514-S516 VanDerWaalsContact C-N 3.28Å; N514-S516 PolarHBondContact O-N 2.86Å; S516-A519 PolarHBondContact O-N 3.41Å; S516-V520 WeakPolarHBondContact O-CG2 3.48Å; S516-V520 PolarHBondContact O-N 3.49Å
517	Y	45	Very low	49.7	Very low	168 Å²	168	87.1 Å²	87.1	66%	0.659	45%	0.454	S	S	*	.	H	α-helix	trans	-68.5	-36.5	175.4	-79.3	-85.6	0	0	0	111.6	N514 V520 L521	N514-Y517 PolarHBondContact O-N 3.38Å; Y517-V520 PolarHBondContact O-N 2.84Å; Y517-L521 PolarHBondContact O-N 2.85Å
518	L	46.9	Very low	50.6	Low	49 Å²	49	85.4 Å²	85.4	26%	0.257	45%	0.453	S	S	.	.	H	α-helix	trans	-66	-37.6	174.5	-154.1	89.3	0	0	0	111.8	L294 N514 L521 S522	L294-L518 HydrophobicContact CD1-CD1 3.8Å; N514-L518 PolarHBondContact O-N 3.31Å; L518-L521 PolarHBondContact O-N 2.92Å; L518-S522 WeakPolarHBondContact O-CB 3.41Å; L518-S522 PolarHBondContact O-N 2.92Å; L518-S522 PolarHBondContact O-OG 2.76Å
519	A	47.3	Very low	51.8	Low	44 Å²	44	84 Å²	84	36%	0.364	44%	0.443	S	S	.	.	H	α-helix	trans	-61.4	-44	173.4	0	0	0	0	0	111.4	A515 S516 S522 H523	A515-A519 WeakPolarHBondContact O-CB 3.35Å; A515-A519 PolarHBondContact O-N 3.34Å; S516-A519 PolarHBondContact O-N 3.41Å; A519-S522 PolarHBondContact O-N 3.1Å; A519-S522 PolarHBondContact O-OG 3.38Å; A519-H523 PolarHBondContact O-CD2 3.24Å; A519-H523 VanDerWaalsContact O-CD2 3.24Å; A519-H523 PolarHBondContact O-N 3.5Å
520	V	42.5	Very low	53	Low	90 Å²	90	81.5 Å²	81.5	55%	0.545	43%	0.431	S	S	.	.	H	α-helix	trans	-63.7	-42.9	175.4	176.4	0	0	0	0	111.8	S516 Y517 H523 I524	S516-V520 WeakPolarHBondContact O-CG2 3.48Å; S516-V520 PolarHBondContact O-N 3.49Å; Y517-V520 PolarHBondContact O-N 2.84Å; V520-H523 WeakPolarHBondContact O-CB 3.41Å; V520-H523 PolarHBondContact O-N 3.37Å; V520-I524 HydrophobicContact CG1-CD1 4.34Å; V520-I524 WeakPolarHBondContact O-CG1 3.46Å; V520-I524 PolarHBondContact O-N 2.91Å
521	L	43.2	Very low	54	Low	72 Å²	72	77 Å²	77	38%	0.377	41%	0.406	S	S	.	.	H	α-helix	trans	-66	-36.6	175.3	-96.1	136.1	0	0	0	112.9	Y517 L518 H523 I524 G525	Y517-L521 PolarHBondContact O-N 2.85Å; L518-L521 PolarHBondContact O-N 2.92Å; L521-H523 VanDerWaalsContact C-N 3.29Å; L521-H523 PolarHBondContact O-N 3.31Å; L521-I524 PolarHBondContact O-N 2.99Å; L521-G525 PolarHBondContact O-N 3.34Å
522	S	48.3	Very low	55.4	Low	37 Å²	37	73.3 Å²	73.3	26%	0.259	39%	0.392	S	S	.	.	H	α-helix	trans	-63.9	-35.8	174.1	77.8	0	0	0	0	112	L518 A519 I524 S526	L518-S522 WeakPolarHBondContact O-CB 3.41Å; L518-S522 PolarHBondContact O-N 2.92Å; L518-S522 PolarHBondContact O-OG 2.76Å; A519-S522 PolarHBondContact O-N 3.1Å; A519-S522 PolarHBondContact O-OG 3.38Å; S522-I524 VanDerWaalsContact C-N 3.32Å; S522-I524 PolarHBondContact O-N 2.72Å; S522-S526 CarbonylContact O-C 3.47Å; S522-S526 PolarHBondContact O-N 2.98Å
523	H	42.2	Very low	56.8	Low	142 Å²	142	71.1 Å²	71.1	66%	0.657	38%	0.377	S	S	*	.	H	α-helix	trans	-67.5	-27.1	173.6	-87.1	-64.4	0	0	0	113.8	A519 V520 L521	A519-H523 PolarHBondContact O-CD2 3.24Å; A519-H523 VanDerWaalsContact O-CD2 3.24Å; A519-H523 PolarHBondContact O-N 3.5Å; V520-H523 WeakPolarHBondContact O-CB 3.41Å; V520-H523 PolarHBondContact O-N 3.37Å; L521-H523 VanDerWaalsContact C-N 3.29Å; L521-H523 PolarHBondContact O-N 3.31Å
524	I	42.7	Very low	57.8	Low	116 Å²	116	63 Å²	63	60%	0.595	34%	0.339	S	S	*	.	H	α-helix	trans	-76.9	-29.9	-179.1	-67.2	164.4	0	0	0	111.9	V520 L521 S522	V520-I524 HydrophobicContact CG1-CD1 4.34Å; V520-I524 WeakPolarHBondContact O-CG1 3.46Å; V520-I524 PolarHBondContact O-N 2.91Å; L521-I524 PolarHBondContact O-N 2.99Å; S522-I524 VanDerWaalsContact C-N 3.32Å; S522-I524 PolarHBondContact O-N 2.72Å
525	G	50.4	Low	59.2	Low	4 Å²	4	61.7 Å²	61.7	4%	0.041	33%	0.326	C	S	.	.	H	α-helix	trans	-98.2	-47.3	-173.5	0	0	0	0	0	115.1	L426 L521	L426-G525 WeakPolarHBondContact CD2-O 3.1Å; L521-G525 PolarHBondContact O-N 3.34Å
526	S	58.5	Low	60.6	Low	7 Å²	7	62.2 Å²	62.2	5%	0.049	32%	0.321	C	S	.	.			trans	179	131.2	170	-167	0	0	0	0	108	S522 A530 R534 D604	S522-S526 CarbonylContact O-C 3.47Å; S522-S526 PolarHBondContact O-N 2.98Å; S526-A530 VanDerWaalsContact OG-CB 3.3Å; S526-A530 WeakPolarHBondContact OG-CB 3.39Å; S526-R534 PolarHBondContact OG-NH1 3.16Å; S526-R534 PolarHBondContact OG-NH2 3.26Å; S526-D604 WeakPolarHBondContact CA-OD1 3.32Å; S526-D604 PolarHBondContact OG-OD1 3.32Å; S526-D604 VanDerWaalsContact OG-OD1 3.12Å; S526-D604 PolarHBondContact OG-OD2 3.23Å
527	S	65.8	Low	62.2	Low	6 Å²	6	60.7 Å²	60.7	4%	0.042	30%	0.303	C	S	.	.			trans	-57.2	148.1	177	57.7	0	0	0	0	112.1	E529 A530 I531 Y603 D604	S527-E529 WeakPolarHBondContact CB-OE2 3.19Å; S527-E529 PolarHBondContact O-N 3.43Å; S527-A530 WeakPolarHBondContact O-CB 3.44Å; S527-A530 PolarHBondContact O-N 3.17Å; S527-A530 WeakPolarHBondContact OG-CB 3.47Å; S527-A530 PolarHBondContact OG-N 2.86Å; S527-I531 WeakPolarHBondContact O-CD1 3.36Å; S527-I531 PolarHBondContact O-N 3.43Å; S527-Y603 WeakPolarHBondContact OG-CB 3.38Å; S527-D604 PolarHBondContact N-OD1 2.79Å
528	E	68.6	Low	64	Low	121 Å²	121	53 Å²	53	57%	0.565	27%	0.273	S	S	*	.	H	α-helix	trans	-54.2	-37.2	175.7	-68.1	-164.5	159.1	0	0	111.2	I506 A530 I531 L532	I506-E528 WeakPolarHBondContact CD1-OE1 3.34Å; E528-A530 PolarHBondContact O-N 3.2Å; E528-I531 PolarHBondContact O-N 3.2Å; E528-L532 PolarHBondContact O-N 2.95Å
529	E	75.7	Confident	65.8	Low	76 Å²	76	55.7 Å²	55.7	36%	0.355	28%	0.283	S	S	.	.	H	α-helix	trans	-63.6	-37.5	175.9	-60.8	85.4	173.4	0	0	112.2	S527 L532 A533 W599 Y603	S527-E529 WeakPolarHBondContact CB-OE2 3.19Å; S527-E529 PolarHBondContact O-N 3.43Å; E529-L532 PolarHBondContact O-N 2.95Å; E529-A533 WeakPolarHBondContact O-CB 3.24Å; E529-A533 PolarHBondContact O-N 3.49Å; E529-W599 HydrophobicContact CB-CZ2 4.49Å; E529-Y603 HydrophobicContact CB-CD1 3.88Å; E529-Y603 HydrophobicContact CB-CD2 4.34Å; E529-Y603 HydrophobicContact CB-CE1 4.08Å; E529-Y603 HydrophobicContact CB-CE2 4.5Å; E529-Y603 HydrophobicContact CB-CG 4.02Å; E529-Y603 HydrophobicContact CG-CD1 4.05Å; E529-Y603 HydrophobicContact CG-CE1 3.81Å
530	A	72.7	Confident	67.7	Low	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.8	-34.6	176.7	0	0	0	0	0	112.1	S526 S527 E528 A533 R534 L600 D604	S526-A530 VanDerWaalsContact OG-CB 3.3Å; S526-A530 WeakPolarHBondContact OG-CB 3.39Å; S527-A530 WeakPolarHBondContact O-CB 3.44Å; S527-A530 PolarHBondContact O-N 3.17Å; S527-A530 WeakPolarHBondContact OG-CB 3.47Å; S527-A530 PolarHBondContact OG-N 2.86Å; E528-A530 PolarHBondContact O-N 3.2Å; A530-A533 PolarHBondContact O-N 3.12Å; A530-R534 VanDerWaalsContact C-NH1 3.29Å; A530-R534 WeakPolarHBondContact O-CG 3.19Å; A530-R534 PolarHBondContact O-N 3.48Å; A530-R534 PolarHBondContact O-NH1 2.82Å; A530-L600 HydrophobicContact CB-CD2 3.73Å; A530-L600 WeakPolarHBondContact O-CD2 3.46Å; A530-D604 HydrophobicContact CB-CB 4.47Å
531	I	72.2	Confident	69.7	Low	30 Å²	30	51 Å²	51	15%	0.154	25%	0.251	C	S	.	.	H	α-helix	trans	-65.8	-42.1	171.9	-64.9	134.3	0	0	0	110.5	S527 E528 R534 R535	S527-I531 WeakPolarHBondContact O-CD1 3.36Å; S527-I531 PolarHBondContact O-N 3.43Å; E528-I531 PolarHBondContact O-N 3.2Å; I531-R534 PolarHBondContact O-N 3.13Å; I531-R535 WeakPolarHBondContact O-CG 3.43Å; I531-R535 PolarHBondContact O-N 3.45Å
532	L	78.1	Confident	71.8	Confident	103 Å²	103	48 Å²	48	54%	0.539	24%	0.237	S	C	.	.	H	α-helix	trans	-61.3	-44.8	175.8	-171.6	74	0	0	0	111.5	E528 E529 R534 R535 L536	E528-L532 PolarHBondContact O-N 2.95Å; E529-L532 PolarHBondContact O-N 2.95Å; L532-R534 PolarHBondContact O-N 3.15Å; L532-R535 WeakPolarHBondContact O-CB 3.48Å; L532-R535 PolarHBondContact O-N 2.9Å; L532-L536 PolarHBondContact O-N 3.03Å
533	A	81.5	Confident	73.7	Confident	4 Å²	4	47.4 Å²	47.4	3%	0.033	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-40.3	178	0	0	0	0	0	112.3	E529 A530 L536 R537 W599 L600	E529-A533 WeakPolarHBondContact O-CB 3.24Å; E529-A533 PolarHBondContact O-N 3.49Å; A530-A533 PolarHBondContact O-N 3.12Å; A533-L536 PolarHBondContact O-N 2.91Å; A533-R537 PolarHBondContact O-N 3.33Å; A533-W599 HydrophobicContact CB-CG 4.2Å; A533-L600 HydrophobicContact CB-CD1 4.35Å; A533-L600 HydrophobicContact CB-CD2 3.81Å; A533-L600 HydrophobicContact CB-CG 3.74Å
534	R	77.9	Confident	76	Confident	26 Å²	26	43.7 Å²	43.7	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-47.5	171.6	-75	-179.1	-166.3	94.7	-3.7	111.5	Y437 S526 A530 I531 L532 L536 R537 I538 L600 D604	Y437-R534 HydrophobicContact CD2-CB 4.09Å; Y437-R534 HydrophobicContact CE2-CB 3.56Å; Y437-R534 HydrophobicContact CE2-CG 4.3Å; Y437-R534 WeakPolarHBondContact CE2-O 3.43Å; Y437-R534 PolarHBondContact OH-O 3Å; S526-R534 PolarHBondContact OG-NH1 3.16Å; S526-R534 PolarHBondContact OG-NH2 3.26Å; A530-R534 VanDerWaalsContact C-NH1 3.29Å; A530-R534 WeakPolarHBondContact O-CG 3.19Å; A530-R534 PolarHBondContact O-N 3.48Å; A530-R534 PolarHBondContact O-NH1 2.82Å; I531-R534 PolarHBondContact O-N 3.13Å; L532-R534 PolarHBondContact O-N 3.15Å; R534-L536 VanDerWaalsContact C-N 3.35Å; R534-L536 PolarHBondContact O-N 2.94Å; R534-R537 WeakPolarHBondContact O-CB 3.46Å; R534-R537 PolarHBondContact O-N 3.47Å; R534-R537 VanDerWaalsContact O-N 3.13Å; R534-I538 PolarHBondContact O-N 3.49Å; R534-I538 VanDerWaalsContact O-N 3.11Å; R534-L600 HydrophobicContact CG-CD1 4.36Å; R534-L600 HydrophobicContact CG-CD2 4.2Å; R534-D604 IonicContact CZ-OD2 3.4Å; R534-D604 IonicContact NH1-OD2 3.03Å; R534-D604 IonicContact NH2-OD2 3.19Å; R534-D604 PolarHBondContact NH2-OD2 2.84Å
535	R	79	Confident	78.2	Confident	66 Å²	66	38.4 Å²	38.4	25%	0.249	19%	0.188	C	C	.	.	H	α-helix	trans	-59	-45	177	-73	175.3	179.8	-177.1	2.3	112.1	L498 I531 L532 R537 I538 F539	L498-R535 VanDerWaalsContact C-NH2 3.31Å; L498-R535 HydrophobicContact CD1-CG 4.17Å; L498-R535 PolarHBondContact O-NH2 2.99Å; I531-R535 WeakPolarHBondContact O-CG 3.43Å; I531-R535 PolarHBondContact O-N 3.45Å; L532-R535 WeakPolarHBondContact O-CB 3.48Å; L532-R535 PolarHBondContact O-N 2.9Å; R535-R537 VanDerWaalsContact C-N 3.28Å; R535-R537 PolarHBondContact O-N 3.12Å; R535-I538 PolarHBondContact O-N 2.91Å; R535-F539 WeakPolarHBondContact O-CB 3.49Å; R535-F539 PolarHBondContact O-N 2.85Å
536	L	84.1	Confident	80.1	Confident	68 Å²	68	40.1 Å²	40.1	36%	0.356	20%	0.197	S	C	.	.	H	α-helix	trans	-60.5	-39.2	176.3	-179	59.5	0	0	0	111.2	L532 A533 R534 F539 L540 T596	L532-L536 PolarHBondContact O-N 3.03Å; A533-L536 PolarHBondContact O-N 2.91Å; R534-L536 VanDerWaalsContact C-N 3.35Å; R534-L536 PolarHBondContact O-N 2.94Å; L536-F539 HydrophobicContact CD1-CD1 4.3Å; L536-F539 WeakPolarHBondContact O-CB 3.46Å; L536-F539 PolarHBondContact O-N 3.38Å; L536-L540 HydrophobicContact CD1-CG 4.46Å; L536-L540 HydrophobicContact CG-CD1 4.22Å; L536-L540 VanDerWaalsContact O-CG 3.22Å; L536-L540 WeakPolarHBondContact O-CG 3.32Å; L536-L540 PolarHBondContact O-N 3.37Å; L536-T596 HydrophobicContact CB-CG2 4.29Å; L536-T596 HydrophobicContact CD2-CG2 3.56Å; L536-T596 HydrophobicContact CG-CG2 3.82Å
537	R	83.5	Confident	81.7	Confident	45 Å²	45	42 Å²	42	17%	0.17	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-43	176.1	-172.5	177.9	177.5	-171.7	2.2	113	A533 R534 R535 F539 L540 S541	A533-R537 PolarHBondContact O-N 3.33Å; R534-R537 WeakPolarHBondContact O-CB 3.46Å; R534-R537 PolarHBondContact O-N 3.47Å; R534-R537 VanDerWaalsContact O-N 3.13Å; R535-R537 VanDerWaalsContact C-N 3.28Å; R535-R537 PolarHBondContact O-N 3.12Å; R537-F539 VanDerWaalsContact C-N 3.32Å; R537-L540 PolarHBondContact O-N 3.32Å; R537-S541 PolarHBondContact O-N 2.95Å
538	I	82.4	Confident	82.9	Confident	7 Å²	7	42.5 Å²	42.5	4%	0.036	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-43.9	174.2	-62.7	165.1	0	0	0	110.3	Y437 V441 I444 L494 R534 R535 L540 S541 G542	Y437-I538 HydrophobicContact CD2-CD1 3.24Å; Y437-I538 HydrophobicContact CD2-CG1 4.02Å; Y437-I538 HydrophobicContact CE2-CD1 3.03Å; Y437-I538 HydrophobicContact CE2-CG1 3.29Å; Y437-I538 HydrophobicContact CG-CD1 4.25Å; V441-I538 HydrophobicContact CG2-CG1 3.96Å; I444-I538 HydrophobicContact CD1-CG2 3.64Å; L494-I538 HydrophobicContact CD2-CB 4.19Å; L494-I538 HydrophobicContact CD2-CD1 4.04Å; L494-I538 HydrophobicContact CD2-CG2 3.31Å; R534-I538 PolarHBondContact O-N 3.49Å; R534-I538 VanDerWaalsContact O-N 3.11Å; R535-I538 PolarHBondContact O-N 2.91Å; I538-L540 VanDerWaalsContact C-N 3.28Å; I538-L540 PolarHBondContact O-N 3.16Å; I538-S541 WeakPolarHBondContact CA-OG 3.43Å; I538-S541 PolarHBondContact O-N 3.04Å; I538-S541 VanDerWaalsContact O-N 3.1Å; I538-S541 PolarHBondContact O-OG 2.93Å; I538-G542 PolarHBondContact O-N 2.89Å
539	F	85	Confident	84.1	Confident	105 Å²	105	36.8 Å²	36.8	46%	0.461	18%	0.182	S	C	.	.	H	α-helix	trans	-54.8	-45.8	176.7	178.9	-93.7	0	0	0	111.5	F491 R535 L536 R537 S541 G542 C543	F491-F539 AromaticContact CD1-CD2 3.59Å; F491-F539 HydrophobicContact CD1-CD2 3.59Å; F491-F539 AromaticContact CD1-CE2 3.56Å; F491-F539 HydrophobicContact CD1-CE2 3.56Å; F491-F539 AromaticContact CE1-CD2 3.71Å; F491-F539 HydrophobicContact CE1-CD2 3.71Å; F491-F539 AromaticContact CE1-CE2 3.67Å; F491-F539 HydrophobicContact CE1-CE2 3.67Å; F491-F539 HydrophobicContact CE1-CG 4.38Å; F491-F539 HydrophobicContact CE1-CZ 4.33Å; R535-F539 WeakPolarHBondContact O-CB 3.49Å; R535-F539 PolarHBondContact O-N 2.85Å; L536-F539 HydrophobicContact CD1-CD1 4.3Å; L536-F539 WeakPolarHBondContact O-CB 3.46Å; L536-F539 PolarHBondContact O-N 3.38Å; R537-F539 VanDerWaalsContact C-N 3.32Å; F539-S541 PolarHBondContact O-N 2.59Å; F539-G542 PolarHBondContact O-N 2.86Å; F539-C543 WeakPolarHBondContact CE1-SG 3.41Å; F539-C543 PolarHBondContact O-N 3.2Å; F539-C543 PolarHBondContact O-SG 3.41Å; F539-C543 VanDerWaalsContact O-SG 3.33Å
540	L	87.9	Confident	84.9	Confident	12 Å²	12	36.8 Å²	36.8	6%	0.063	18%	0.184	C	C	.	.	H	α-helix	trans	-61.5	-42.8	176.3	-67.6	165.5	0	0	0	112.6	L536 R537 I538 C543 Q544 I589 L592 T596	L536-L540 HydrophobicContact CD1-CG 4.46Å; L536-L540 HydrophobicContact CG-CD1 4.22Å; L536-L540 VanDerWaalsContact O-CG 3.22Å; L536-L540 WeakPolarHBondContact O-CG 3.32Å; L536-L540 PolarHBondContact O-N 3.37Å; R537-L540 PolarHBondContact O-N 3.32Å; I538-L540 VanDerWaalsContact C-N 3.28Å; I538-L540 PolarHBondContact O-N 3.16Å; L540-C543 WeakPolarHBondContact O-CB 3.49Å; L540-C543 PolarHBondContact O-N 3.42Å; L540-Q544 PolarHBondContact O-N 3.17Å; L540-I589 HydrophobicContact CB-CG2 4.4Å; L540-L592 HydrophobicContact CD1-CB 4.14Å; L540-L592 HydrophobicContact CD1-CD2 4.32Å; L540-L592 HydrophobicContact CD1-CG 3.76Å; L540-L592 HydrophobicContact CD2-CB 4.11Å; L540-L592 HydrophobicContact CD2-CD2 3.38Å; L540-L592 HydrophobicContact CD2-CG 3.75Å; L540-L592 HydrophobicContact CG-CD2 4.43Å; L540-L592 HydrophobicContact CG-CG 4.39Å; L540-T596 HydrophobicContact CD1-CG2 4Å
541	S	84.9	Confident	85.9	Confident	25 Å²	25	37.5 Å²	37.5	18%	0.175	19%	0.189	C	C	.	.	H	α-helix	trans	-65.5	-38.4	176.4	67.1	0	0	0	0	112.6	R537 I538 F539 Q544 L545	R537-S541 PolarHBondContact O-N 2.95Å; I538-S541 WeakPolarHBondContact CA-OG 3.43Å; I538-S541 PolarHBondContact O-N 3.04Å; I538-S541 VanDerWaalsContact O-N 3.1Å; I538-S541 PolarHBondContact O-OG 2.93Å; F539-S541 PolarHBondContact O-N 2.59Å; S541-Q544 WeakPolarHBondContact O-CB 3.42Å; S541-Q544 PolarHBondContact O-N 3.33Å; S541-L545 PolarHBondContact O-N 3.23Å; S541-L545 VanDerWaalsContact O-N 3.1Å
542	G	86	Confident	86.9	Confident	8 Å²	8	36.2 Å²	36.2	8%	0.082	18%	0.182	C	C	.	.	H	α-helix	trans	-63.8	-41.1	172.5	0	0	0	0	0	111.7	F491 I538 F539 Q544 L545 L546	F491-G542 WeakPolarHBondContact CZ-O 3.43Å; I538-G542 PolarHBondContact O-N 2.89Å; F539-G542 PolarHBondContact O-N 2.86Å; G542-Q544 VanDerWaalsContact C-N 3.35Å; G542-L545 PolarHBondContact O-N 3.44Å; G542-L546 WeakPolarHBondContact O-CB 3.48Å; G542-L546 PolarHBondContact O-N 3.13Å
543	C	88.4	Confident	87.6	Confident	25 Å²	25	33.4 Å²	33.4	17%	0.169	17%	0.167	C	C	.	.	H	α-helix	trans	-63	-43.8	176.9	-74.7	0	0	0	0	111	F491 F539 L540 L545 L546 I547	F491-C543 VanDerWaalsContact CE1-SG 3.55Å; F491-C543 HydrophobicContact CZ-CB 4.35Å; F491-C543 VanDerWaalsContact CZ-N 3.27Å; F539-C543 WeakPolarHBondContact CE1-SG 3.41Å; F539-C543 PolarHBondContact O-N 3.2Å; F539-C543 PolarHBondContact O-SG 3.41Å; F539-C543 VanDerWaalsContact O-SG 3.33Å; L540-C543 WeakPolarHBondContact O-CB 3.49Å; L540-C543 PolarHBondContact O-N 3.42Å; C543-L545 VanDerWaalsContact C-N 3.31Å; C543-L545 PolarHBondContact O-N 3.36Å; C543-L546 PolarHBondContact O-N 3.3Å; C543-I547 HydrophobicContact CB-CD1 4.36Å; C543-I547 VanDerWaalsContact O-CB 3.3Å; C543-I547 WeakPolarHBondContact O-CB 3.36Å; C543-I547 WeakPolarHBondContact O-CD1 3.35Å; C543-I547 WeakPolarHBondContact O-CG1 3.36Å; C543-I547 PolarHBondContact O-N 3.27Å
544	Q	90.5	Very high	88.2	Confident	64 Å²	64	37 Å²	37	30%	0.299	19%	0.185	S	C	.	.	H	α-helix	trans	-56.6	-47.2	175.9	-168.7	-178.3	-20.4	0	0	111.3	L540 S541 G542 S548 I589	L540-Q544 PolarHBondContact O-N 3.17Å; S541-Q544 WeakPolarHBondContact O-CB 3.42Å; S541-Q544 PolarHBondContact O-N 3.33Å; G542-Q544 VanDerWaalsContact C-N 3.35Å; Q544-S548 VanDerWaalsContact O-CB 3.29Å; Q544-S548 WeakPolarHBondContact O-CB 3.35Å; Q544-S548 PolarHBondContact O-N 3.17Å; Q544-S548 PolarHBondContact O-OG 2.94Å; Q544-I589 HydrophobicContact CB-CD1 4.09Å; Q544-I589 HydrophobicContact CB-CG2 4.19Å; Q544-I589 HydrophobicContact CG-CD1 4.42Å
545	L	89.7	Confident	88.9	Confident	4 Å²	4	36 Å²	36	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-47.3	178.8	179.9	68.6	0	0	0	111.8	I447 Q451 A487 S541 G542 C543 S548 L549	I447-L545 HydrophobicContact CB-CD2 4.21Å; I447-L545 HydrophobicContact CD1-CD2 4.48Å; I447-L545 HydrophobicContact CG2-CD1 3.81Å; I447-L545 HydrophobicContact CG2-CD2 3.63Å; I447-L545 HydrophobicContact CG2-CG 4.33Å; Q451-L545 HydrophobicContact CB-CD1 3.97Å; Q451-L545 HydrophobicContact CG-CD1 4.12Å; A487-L545 HydrophobicContact CB-CD2 4.34Å; S541-L545 PolarHBondContact O-N 3.23Å; S541-L545 VanDerWaalsContact O-N 3.1Å; G542-L545 PolarHBondContact O-N 3.44Å; C543-L545 VanDerWaalsContact C-N 3.31Å; C543-L545 PolarHBondContact O-N 3.36Å; L545-S548 WeakPolarHBondContact O-CB 3.49Å; L545-S548 PolarHBondContact O-N 3.07Å; L545-L549 HydrophobicContact CD1-CD1 4.47Å; L545-L549 HydrophobicContact CG-CD1 4.2Å; L545-L549 WeakPolarHBondContact O-CG 3.28Å; L545-L549 PolarHBondContact O-N 2.97Å
546	L	90.3	Very high	89.5	Confident	41 Å²	41	33.5 Å²	33.5	22%	0.215	17%	0.172	C	C	.	.	H	α-helix	trans	-61.7	-46.8	179.9	179.6	66.1	0	0	0	111.7	I484 A487 F491 G542 C543 S548 L549 I550	I484-L546 HydrophobicContact CG2-CD1 4.02Å; A487-L546 HydrophobicContact CB-CD1 4.49Å; F491-L546 HydrophobicContact CE2-CB 4.06Å; F491-L546 HydrophobicContact CE2-CD2 3.78Å; F491-L546 HydrophobicContact CE2-CG 4.48Å; F491-L546 HydrophobicContact CZ-CB 4.43Å; F491-L546 HydrophobicContact CZ-CD2 4.34Å; G542-L546 WeakPolarHBondContact O-CB 3.48Å; G542-L546 PolarHBondContact O-N 3.13Å; C543-L546 PolarHBondContact O-N 3.3Å; L546-S548 VanDerWaalsContact C-N 3.32Å; L546-S548 PolarHBondContact O-N 3.5Å; L546-L549 PolarHBondContact O-N 3.38Å; L546-I550 HydrophobicContact CD1-CD1 4.3Å; L546-I550 HydrophobicContact CG-CD1 4.02Å; L546-I550 WeakPolarHBondContact O-CG1 3.38Å; L546-I550 PolarHBondContact O-N 3.37Å
547	I	91.7	Very high	89.9	Confident	45 Å²	45	34.7 Å²	34.7	23%	0.231	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-43.4	178.2	-69.4	161.6	0	0	0	109.9	C543 L549 I550 V551 I585 I589	C543-I547 HydrophobicContact CB-CD1 4.36Å; C543-I547 VanDerWaalsContact O-CB 3.3Å; C543-I547 WeakPolarHBondContact O-CB 3.36Å; C543-I547 WeakPolarHBondContact O-CD1 3.35Å; C543-I547 WeakPolarHBondContact O-CG1 3.36Å; C543-I547 PolarHBondContact O-N 3.27Å; I547-L549 VanDerWaalsContact C-N 3.33Å; I547-L549 PolarHBondContact O-N 3.42Å; I547-I550 PolarHBondContact O-N 2.9Å; I547-V551 HydrophobicContact CG2-CG2 4.3Å; I547-V551 WeakPolarHBondContact O-CG2 3.42Å; I547-V551 PolarHBondContact O-N 3.24Å; I547-I585 HydrophobicContact CD1-CG2 3.87Å; I547-I585 HydrophobicContact CG2-CD1 4.5Å; I547-I585 HydrophobicContact CG2-CG2 4.04Å; I547-I589 HydrophobicContact CD1-CD1 3.94Å
548	S	91.6	Very high	90.4	Very high	18 Å²	18	33.4 Å²	33.4	13%	0.126	18%	0.178	C	C	.	.	H	α-helix	trans	-57.1	-46	175.7	-61.4	0	0	0	0	111.4	Q544 L545 L546 I550 V551 T552	Q544-S548 VanDerWaalsContact O-CB 3.29Å; Q544-S548 WeakPolarHBondContact O-CB 3.35Å; Q544-S548 PolarHBondContact O-N 3.17Å; Q544-S548 PolarHBondContact O-OG 2.94Å; L545-S548 WeakPolarHBondContact O-CB 3.49Å; L545-S548 PolarHBondContact O-N 3.07Å; L546-S548 VanDerWaalsContact C-N 3.32Å; L546-S548 PolarHBondContact O-N 3.5Å; S548-I550 PolarHBondContact O-N 3.06Å; S548-V551 PolarHBondContact O-N 2.94Å; S548-T552 VanDerWaalsContact O-CG2 3.3Å; S548-T552 WeakPolarHBondContact O-CG2 3.43Å; S548-T552 PolarHBondContact O-N 2.74Å
549	L	92.6	Very high	90.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.9	-36.5	177.3	-69	166.8	0	0	0	112.9	Q451 L483 I484 L545 L546 I547 T552 L553	Q451-L549 HydrophobicContact CB-CD2 4.21Å; Q451-L549 HydrophobicContact CG-CD2 3.66Å; Q451-L549 HydrophobicContact CG-CG 4.08Å; L483-L549 HydrophobicContact CB-CD1 3.74Å; L483-L549 HydrophobicContact CB-CD2 4.25Å; L483-L549 HydrophobicContact CD1-CD2 4.3Å; I484-L549 HydrophobicContact CD1-CB 4.29Å; I484-L549 HydrophobicContact CG1-CB 3.83Å; I484-L549 HydrophobicContact CG1-CD1 3.92Å; I484-L549 HydrophobicContact CG1-CG 4.45Å; L545-L549 HydrophobicContact CD1-CD1 4.47Å; L545-L549 HydrophobicContact CG-CD1 4.2Å; L545-L549 WeakPolarHBondContact O-CG 3.28Å; L545-L549 PolarHBondContact O-N 2.97Å; L546-L549 PolarHBondContact O-N 3.38Å; I547-L549 VanDerWaalsContact C-N 3.33Å; I547-L549 PolarHBondContact O-N 3.42Å; L549-T552 WeakPolarHBondContact CA-OG1 3.37Å; L549-T552 PolarHBondContact O-OG1 3.19Å; L549-L553 WeakPolarHBondContact O-CG 3.42Å; L549-L553 PolarHBondContact O-N 2.7Å; L549-L553 VanDerWaalsContact O-N 3.14Å
550	I	92.4	Very high	90.9	Very high	77 Å²	77	30.4 Å²	30.4	40%	0.395	17%	0.165	S	C	.	.	H	α-helix	trans	-67.1	-44	174.9	-68.4	166.5	0	0	0	110.2	L546 I547 S548 T552 L553 I554	L546-I550 HydrophobicContact CD1-CD1 4.3Å; L546-I550 HydrophobicContact CG-CD1 4.02Å; L546-I550 WeakPolarHBondContact O-CG1 3.38Å; L546-I550 PolarHBondContact O-N 3.37Å; I547-I550 PolarHBondContact O-N 2.9Å; S548-I550 PolarHBondContact O-N 3.06Å; I550-T552 PolarHBondContact O-N 3.21Å; I550-L553 PolarHBondContact O-N 3.3Å; I550-I554 HydrophobicContact CG2-CD1 3.8Å; I550-I554 HydrophobicContact CG2-CG1 4.4Å; I550-I554 VanDerWaalsContact O-CG1 3.31Å; I550-I554 WeakPolarHBondContact O-CG1 3.28Å; I550-I554 PolarHBondContact O-N 3.48Å
551	V	93.3	Very high	91.1	Very high	15 Å²	15	35.2 Å²	35.2	9%	0.091	18%	0.184	C	C	.	.	H	α-helix	trans	-62.4	-42.3	177.3	171.7	0	0	0	0	110.9	I547 S548 L553 I554 E555	I547-V551 HydrophobicContact CG2-CG2 4.3Å; I547-V551 WeakPolarHBondContact O-CG2 3.42Å; I547-V551 PolarHBondContact O-N 3.24Å; S548-V551 PolarHBondContact O-N 2.94Å; V551-L553 VanDerWaalsContact C-N 3.31Å; V551-L553 PolarHBondContact O-N 3.45Å; V551-I554 PolarHBondContact O-N 3.21Å; V551-E555 HydrophobicContact CG1-CG 4.31Å; V551-E555 WeakPolarHBondContact O-CB 3.45Å; V551-E555 WeakPolarHBondContact O-CG 3.49Å; V551-E555 PolarHBondContact O-N 3.3Å
552	T	93.1	Very high	91.3	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-62.3	-38.5	176.5	59.8	0	0	0	0	112.3	K455 S548 L549 I550 Y556	K455-T552 HydrophobicContact CB-CG2 3.69Å; K455-T552 HydrophobicContact CD-CG2 3.71Å; K455-T552 HydrophobicContact CG-CG2 3.56Å; S548-T552 VanDerWaalsContact O-CG2 3.3Å; S548-T552 WeakPolarHBondContact O-CG2 3.43Å; S548-T552 PolarHBondContact O-N 2.74Å; L549-T552 WeakPolarHBondContact CA-OG1 3.37Å; L549-T552 PolarHBondContact O-OG1 3.19Å; I550-T552 PolarHBondContact O-N 3.21Å; T552-Y556 VanDerWaalsContact O-CB 3.29Å; T552-Y556 WeakPolarHBondContact O-CB 3.43Å; T552-Y556 PolarHBondContact O-N 3.08Å
553	L	93.6	Very high	91.3	Very high	45 Å²	45	39.3 Å²	39.3	24%	0.236	20%	0.195	C	C	.	.	H	α-helix	trans	-67.2	-42.2	175	-72.4	177.1	0	0	0	112.2	L477 C480 I484 L549 I550 V551 Y556 V557	L477-L553 HydrophobicContact CD2-CD2 3.91Å; C480-L553 HydrophobicContact CB-CD2 4.33Å; I484-L553 HydrophobicContact CD1-CD1 3.5Å; I484-L553 VanDerWaalsContact CD1-CD1 3.5Å; L549-L553 WeakPolarHBondContact O-CG 3.42Å; L549-L553 PolarHBondContact O-N 2.7Å; L549-L553 VanDerWaalsContact O-N 3.14Å; I550-L553 PolarHBondContact O-N 3.3Å; V551-L553 VanDerWaalsContact C-N 3.31Å; V551-L553 PolarHBondContact O-N 3.45Å; L553-Y556 PolarHBondContact O-N 3.08Å; L553-V557 VanDerWaalsContact O-CG2 3.3Å; L553-V557 WeakPolarHBondContact O-CG2 3.47Å; L553-V557 PolarHBondContact O-N 3.15Å
554	I	94.2	Very high	91.2	Very high	80 Å²	80	45.9 Å²	45.9	41%	0.41	22%	0.217	S	C	.	.	H	α-helix	trans	-61.4	-48.4	176.1	-69	167.6	0	0	0	110	I550 V551 Y556 V557 I558 T578	I550-I554 HydrophobicContact CG2-CD1 3.8Å; I550-I554 HydrophobicContact CG2-CG1 4.4Å; I550-I554 VanDerWaalsContact O-CG1 3.31Å; I550-I554 WeakPolarHBondContact O-CG1 3.28Å; I550-I554 PolarHBondContact O-N 3.48Å; V551-I554 PolarHBondContact O-N 3.21Å; I554-Y556 PolarHBondContact O-N 3.41Å; I554-V557 PolarHBondContact O-N 3.49Å; I554-I558 HydrophobicContact CG2-CD1 3.8Å; I554-I558 WeakPolarHBondContact O-CD1 3.5Å; I554-I558 VanDerWaalsContact O-CG1 3.27Å; I554-I558 WeakPolarHBondContact O-CG1 3.07Å; I554-I558 PolarHBondContact O-N 2.92Å; I554-T578 HydrophobicContact CG2-CG2 3.79Å
555	E	92.5	Very high	91.1	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.019	22%	0.224	C	C	.	.	H	α-helix	trans	-58.3	-49	176.4	-72.2	178.5	163.4	0	0	110.2	K455 L459 V551 V557 I558 Y559	K455-E555 WeakPolarHBondContact CE-OE2 3.26Å; K455-E555 IonicContact NZ-OE1 3.82Å; K455-E555 IonicContact NZ-OE2 2.94Å; K455-E555 PolarHBondContact NZ-OE2 3.09Å; L459-E555 HydrophobicContact CD2-CB 3.82Å; V551-E555 HydrophobicContact CG1-CG 4.31Å; V551-E555 WeakPolarHBondContact O-CB 3.45Å; V551-E555 WeakPolarHBondContact O-CG 3.49Å; V551-E555 PolarHBondContact O-N 3.3Å; E555-V557 VanDerWaalsContact C-N 3.34Å; E555-V557 PolarHBondContact O-N 2.93Å; E555-I558 WeakPolarHBondContact O-CB 3.42Å; E555-I558 PolarHBondContact O-N 2.94Å; E555-I558 VanDerWaalsContact O-N 3.07Å; E555-Y559 VanDerWaalsContact O-CD2 3.26Å; E555-Y559 WeakPolarHBondContact O-CD2 3.18Å; E555-Y559 PolarHBondContact O-N 3.21Å
556	Y	92.6	Very high	90.7	Very high	14 Å²	14	53 Å²	53	6%	0.055	26%	0.255	C	S	.	.	H	α-helix	trans	-54.6	-46.7	176.1	172.9	-102.8	0	0	0	112.8	L458 H473 L477 T552 L553 I554 I558 Y559 Q560	L458-Y556 HydrophobicContact CB-CD2 3.9Å; L458-Y556 HydrophobicContact CB-CG 4.45Å; L458-Y556 HydrophobicContact CD2-CD2 4.06Å; L458-Y556 HydrophobicContact CD2-CE2 4.05Å; L458-Y556 HydrophobicContact CG-CD2 4.46Å; H473-Y556 AromaticContact ND1-CE2 3.43Å; H473-Y556 WeakPolarHBondContact ND1-CE2 3.26Å; H473-Y556 AromaticContact ND1-CZ 3.6Å; H473-Y556 PolarHBondContact ND1-OH 3.02Å; L477-Y556 HydrophobicContact CD1-CE1 4.01Å; L477-Y556 HydrophobicContact CD2-CD1 4.02Å; L477-Y556 HydrophobicContact CD2-CE1 3.85Å; L477-Y556 HydrophobicContact CG-CE1 4.41Å; T552-Y556 VanDerWaalsContact O-CB 3.29Å; T552-Y556 WeakPolarHBondContact O-CB 3.43Å; T552-Y556 PolarHBondContact O-N 3.08Å; L553-Y556 PolarHBondContact O-N 3.08Å; I554-Y556 PolarHBondContact O-N 3.41Å; Y556-I558 VanDerWaalsContact C-N 3.3Å; Y556-I558 PolarHBondContact O-N 3.08Å; Y556-Y559 PolarHBondContact O-N 3.23Å; Y556-Q560 HydrophobicContact CD1-CG 4.22Å; Y556-Q560 HydrophobicContact CD2-CG 4.22Å; Y556-Q560 HydrophobicContact CE1-CG 3.73Å; Y556-Q560 HydrophobicContact CE2-CG 3.76Å; Y556-Q560 HydrophobicContact CG-CG 4.45Å; Y556-Q560 VanDerWaalsContact CZ-CG 3.48Å; Y556-Q560 WeakPolarHBondContact O-CG 3.3Å; Y556-Q560 PolarHBondContact O-N 3.39Å
557	V	92.2	Very high	90.5	Very high	93 Å²	93	58.5 Å²	58.5	56%	0.564	28%	0.284	S	S	*	.	H	α-helix	trans	-61.4	-39.6	177.5	170.4	0	0	0	0	111.3	L553 I554 E555 Q560 Y561	L553-V557 VanDerWaalsContact O-CG2 3.3Å; L553-V557 WeakPolarHBondContact O-CG2 3.47Å; L553-V557 PolarHBondContact O-N 3.15Å; I554-V557 PolarHBondContact O-N 3.49Å; E555-V557 VanDerWaalsContact C-N 3.34Å; E555-V557 PolarHBondContact O-N 2.93Å; V557-Q560 PolarHBondContact O-N 3.07Å; V557-Y561 WeakPolarHBondContact O-CB 3.34Å; V557-Y561 PolarHBondContact O-N 3.25Å
558	I	92.9	Very high	90	Very high	17 Å²	17	59.8 Å²	59.8	9%	0.087	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-43.5	175.8	-66.4	160.4	0	0	0	110.9	I554 E555 Y556 Y561 S562 W568 F571 T574 I575 T578	I554-I558 HydrophobicContact CG2-CD1 3.8Å; I554-I558 WeakPolarHBondContact O-CD1 3.5Å; I554-I558 VanDerWaalsContact O-CG1 3.27Å; I554-I558 WeakPolarHBondContact O-CG1 3.07Å; I554-I558 PolarHBondContact O-N 2.92Å; E555-I558 WeakPolarHBondContact O-CB 3.42Å; E555-I558 PolarHBondContact O-N 2.94Å; E555-I558 VanDerWaalsContact O-N 3.07Å; Y556-I558 VanDerWaalsContact C-N 3.3Å; Y556-I558 PolarHBondContact O-N 3.08Å; I558-Y561 PolarHBondContact O-N 3.04Å; I558-S562 WeakPolarHBondContact O-CB 3.24Å; I558-S562 PolarHBondContact O-N 3.27Å; I558-W568 HydrophobicContact CG2-CH2 4Å; I558-W568 HydrophobicContact CG2-CZ3 3.9Å; I558-F571 HydrophobicContact CG2-CD2 4.01Å; I558-F571 HydrophobicContact CG2-CE2 4.27Å; I558-T574 HydrophobicContact CD1-CG2 3.58Å; I558-T574 HydrophobicContact CG1-CG2 3.98Å; I558-T574 HydrophobicContact CG2-CG2 4.48Å; I558-I575 HydrophobicContact CG2-CD1 4.16Å; I558-I575 HydrophobicContact CG2-CG1 3.67Å; I558-T578 HydrophobicContact CD1-CG2 3.67Å
559	Y	89.6	Confident	89.5	Confident	11 Å²	11	65.3 Å²	65.3	4%	0.043	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-45.9	175.4	-87.5	-87.3	0	0	0	111.8	L459 G462 E555 Y556 Y561 S562 Y563 F571 I575	L459-Y559 HydrophobicContact CD2-CD2 3.63Å; L459-Y559 HydrophobicContact CD2-CE2 3.73Å; G462-Y559 WeakPolarHBondContact O-CD1 3.39Å; E555-Y559 VanDerWaalsContact O-CD2 3.26Å; E555-Y559 WeakPolarHBondContact O-CD2 3.18Å; E555-Y559 PolarHBondContact O-N 3.21Å; Y556-Y559 PolarHBondContact O-N 3.23Å; Y559-Y561 VanDerWaalsContact C-N 3.33Å; Y559-Y561 PolarHBondContact O-N 3.42Å; Y559-S562 PolarHBondContact O-N 2.96Å; Y559-Y563 PolarHBondContact O-N 3.49Å; Y559-F571 HydrophobicContact CD1-CE2 4.15Å; Y559-F571 HydrophobicContact CD1-CZ 4.03Å; Y559-F571 HydrophobicContact CE1-CE2 4.31Å; Y559-F571 AromaticContact CE1-CZ 3.77Å; Y559-F571 HydrophobicContact CE1-CZ 3.77Å; Y559-F571 HydrophobicContact CG-CE2 4.36Å; Y559-I575 HydrophobicContact CD2-CD1 4.13Å; Y559-I575 HydrophobicContact CE2-CD1 3.58Å
560	Q	89.6	Confident	89.2	Confident	39 Å²	39	66.1 Å²	66.1	18%	0.182	33%	0.328	C	S	.	.	H	α-helix	trans	-62.4	-39.3	176.4	-68.6	-55.3	-37.4	0	0	112.4	H473 Y556 V557 Y563 R564	H473-Q560 PolarHBondContact CE1-NE2 3.3Å; H473-Q560 VanDerWaalsContact CE1-NE2 3.32Å; Y556-Q560 HydrophobicContact CD1-CG 4.22Å; Y556-Q560 HydrophobicContact CD2-CG 4.22Å; Y556-Q560 HydrophobicContact CE1-CG 3.73Å; Y556-Q560 HydrophobicContact CE2-CG 3.76Å; Y556-Q560 HydrophobicContact CG-CG 4.45Å; Y556-Q560 VanDerWaalsContact CZ-CG 3.48Å; Y556-Q560 WeakPolarHBondContact O-CG 3.3Å; Y556-Q560 PolarHBondContact O-N 3.39Å; V557-Q560 PolarHBondContact O-N 3.07Å; Q560-Y563 PolarHBondContact O-N 3.21Å; Q560-R564 PolarHBondContact O-N 3.31Å
561	Y	91	Very high	89	Confident	113 Å²	113	63.4 Å²	63.4	44%	0.443	31%	0.313	S	S	.	.	H	α-helix	trans	-64.7	-42.9	175.7	-172.1	-97.5	0	0	0	111.7	V557 I558 Y559 Y563 R564 Y565 W568	V557-Y561 WeakPolarHBondContact O-CB 3.34Å; V557-Y561 PolarHBondContact O-N 3.25Å; I558-Y561 PolarHBondContact O-N 3.04Å; Y559-Y561 VanDerWaalsContact C-N 3.33Å; Y559-Y561 PolarHBondContact O-N 3.42Å; Y561-Y563 VanDerWaalsContact C-N 3.34Å; Y561-Y563 PolarHBondContact O-N 3.31Å; Y561-R564 PolarHBondContact O-N 2.82Å; Y561-Y565 HydrophobicContact CD2-CD2 4.01Å; Y561-Y565 HydrophobicContact CD2-CE2 4.25Å; Y561-Y565 HydrophobicContact CE1-CD2 4.2Å; Y561-Y565 AromaticContact CE2-CD2 3.61Å; Y561-Y565 HydrophobicContact CE2-CD2 3.61Å; Y561-Y565 AromaticContact CE2-CE2 3.71Å; Y561-Y565 HydrophobicContact CE2-CE2 3.71Å; Y561-Y565 HydrophobicContact CG-CD2 4.46Å; Y561-Y565 AromaticContact CZ-CD2 3.72Å; Y561-Y565 PolarHBondContact O-N 3.4Å; Y561-W568 AromaticContact CD1-CD2 3.92Å; Y561-W568 HydrophobicContact CD1-CD2 3.92Å; Y561-W568 AromaticContact CD1-CE3 3.71Å; Y561-W568 HydrophobicContact CD1-CE3 3.71Å; Y561-W568 HydrophobicContact CD1-CG 4.46Å; Y561-W568 HydrophobicContact CD1-CH2 4.4Å; Y561-W568 AromaticContact CD1-CZ3 3.94Å; Y561-W568 HydrophobicContact CD1-CZ3 3.94Å; Y561-W568 AromaticContact CE1-CD2 3.84Å; Y561-W568 HydrophobicContact CE1-CD2 3.84Å; Y561-W568 HydrophobicContact CE1-CE3 4.13Å; Y561-W568 HydrophobicContact CE1-CG 4.01Å
562	S	88.5	Confident	88.5	Confident	13 Å²	13	66.6 Å²	66.6	9%	0.091	33%	0.327	C	S	.	.	H	α-helix	trans	-64.7	-36.4	175.7	-169.5	0	0	0	0	112.8	I558 Y559 R564 Y565 F571	I558-S562 WeakPolarHBondContact O-CB 3.24Å; I558-S562 PolarHBondContact O-N 3.27Å; Y559-S562 PolarHBondContact O-N 2.96Å; S562-R564 VanDerWaalsContact C-N 3.33Å; S562-Y565 CarbonylContact O-C 3.47Å; S562-Y565 VanDerWaalsContact O-C 3.31Å; S562-F571 WeakPolarHBondContact OG-CD2 3.41Å
563	Y	86.1	Confident	88.2	Confident	106 Å²	106	69.7 Å²	69.7	42%	0.416	35%	0.347	S	S	.	.	H	α-helix	trans	-63.8	-40.6	173.9	178.1	-99	0	0	0	111.2	Y559 Q560 Y561	Y559-Y563 PolarHBondContact O-N 3.49Å; Q560-Y563 PolarHBondContact O-N 3.21Å; Y561-Y563 VanDerWaalsContact C-N 3.34Å; Y561-Y563 PolarHBondContact O-N 3.31Å
564	R	88	Confident	88.1	Confident	163 Å²	163	70 Å²	70	62%	0.615	35%	0.351	S	S	*	.	H	α-helix	trans	-72.1	-33.1	179.4	-176.5	60.8	-177.5	88.4	-3.5	113.6	Q560 Y561 S562	Q560-R564 PolarHBondContact O-N 3.31Å; Y561-R564 PolarHBondContact O-N 2.82Å; S562-R564 VanDerWaalsContact C-N 3.33Å
565	Y	88	Confident	87.8	Confident	113 Å²	113	66.3 Å²	66.3	44%	0.443	33%	0.332	S	S	.	.			trans	-128.1	81.1	-177.9	-62.8	-75	0	0	0	110.9	Y561 S562 N567 W568	Y561-Y565 HydrophobicContact CD2-CD2 4.01Å; Y561-Y565 HydrophobicContact CD2-CE2 4.25Å; Y561-Y565 HydrophobicContact CE1-CD2 4.2Å; Y561-Y565 AromaticContact CE2-CD2 3.61Å; Y561-Y565 HydrophobicContact CE2-CD2 3.61Å; Y561-Y565 AromaticContact CE2-CE2 3.71Å; Y561-Y565 HydrophobicContact CE2-CE2 3.71Å; Y561-Y565 HydrophobicContact CG-CD2 4.46Å; Y561-Y565 AromaticContact CZ-CD2 3.72Å; Y561-Y565 PolarHBondContact O-N 3.4Å; S562-Y565 CarbonylContact O-C 3.47Å; S562-Y565 VanDerWaalsContact O-C 3.31Å; Y565-N567 PolarHBondContact O-N 2.89Å; Y565-N567 VanDerWaalsContact O-N 3.16Å; Y565-W568 VanDerWaalsContact O-CB 3.29Å; Y565-W568 WeakPolarHBondContact O-CB 3.39Å; Y565-W568 PolarHBondContact O-N 3.09Å; Y565-W568 VanDerWaalsContact O-N 3.11Å
566	P	81.6	Confident	87.5	Confident	105 Å²	105	67.8 Å²	67.8	68%	0.682	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.7	-175.4	25.6	-35.2	0	0	0	113.9	W568	P566-W568 PolarHBondContact O-N 3.3Å
567	N	84.4	Confident	87.4	Confident	155 Å²	155	74.6 Å²	74.6	83%	0.829	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	0.2	178.3	-64	-9.5	0	0	0	113.4	Y565 T569	Y565-N567 PolarHBondContact O-N 2.89Å; Y565-N567 VanDerWaalsContact O-N 3.16Å; N567-T569 PolarHBondContact O-N 3.28Å; N567-T569 VanDerWaalsContact O-N 3.15Å
568	W	82.5	Confident	87.3	Confident	72 Å²	72	71.3 Å²	71.3	27%	0.273	34%	0.344	S	S	.	.			trans	-73.6	106.1	-177.8	177.9	53.9	0	0	0	111.5	I558 Y561 Y565 P566 G570 F571 T574	I558-W568 HydrophobicContact CG2-CH2 4Å; I558-W568 HydrophobicContact CG2-CZ3 3.9Å; Y561-W568 AromaticContact CD1-CD2 3.92Å; Y561-W568 HydrophobicContact CD1-CD2 3.92Å; Y561-W568 AromaticContact CD1-CE3 3.71Å; Y561-W568 HydrophobicContact CD1-CE3 3.71Å; Y561-W568 HydrophobicContact CD1-CG 4.46Å; Y561-W568 HydrophobicContact CD1-CH2 4.4Å; Y561-W568 AromaticContact CD1-CZ3 3.94Å; Y561-W568 HydrophobicContact CD1-CZ3 3.94Å; Y561-W568 AromaticContact CE1-CD2 3.84Å; Y561-W568 HydrophobicContact CE1-CD2 3.84Å; Y561-W568 HydrophobicContact CE1-CE3 4.13Å; Y561-W568 HydrophobicContact CE1-CG 4.01Å; Y565-W568 VanDerWaalsContact O-CB 3.29Å; Y565-W568 WeakPolarHBondContact O-CB 3.39Å; Y565-W568 PolarHBondContact O-N 3.09Å; Y565-W568 VanDerWaalsContact O-N 3.11Å; P566-W568 PolarHBondContact O-N 3.3Å; W568-G570 VanDerWaalsContact CE2-C 3.46Å; W568-G570 VanDerWaalsContact CE2-CA 3.48Å; W568-G570 WeakPolarHBondContact CZ2-O 3.02Å; W568-G570 PolarHBondContact O-N 3.13Å; W568-F571 HydrophobicContact CE3-CB 3.72Å; W568-F571 HydrophobicContact CE3-CD2 4.42Å; W568-F571 HydrophobicContact CZ3-CB 3.78Å; W568-F571 AromaticContact CZ3-CD2 3.98Å; W568-F571 HydrophobicContact CZ3-CD2 3.98Å; W568-F571 HydrophobicContact CZ3-CG 4.4Å; W568-T574 HydrophobicContact CH2-CG2 4.34Å; W568-T574 WeakPolarHBondContact CH2-OG1 3.39Å; W568-T574 WeakPolarHBondContact CZ2-OG1 3.42Å
569	T	81.6	Confident	87.1	Confident	135 Å²	135	72.2 Å²	72.2	83%	0.828	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.9	179	57.6	0	0	0	0	113.8	N567 F571	N567-T569 PolarHBondContact O-N 3.28Å; N567-T569 VanDerWaalsContact O-N 3.15Å; T569-F571 VanDerWaalsContact C-N 3.32Å; T569-F571 PolarHBondContact O-N 3.24Å
570	G	85.9	Confident	86.9	Confident	16 Å²	16	73 Å²	73	17%	0.165	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-0.2	-176.9	0	0	0	0	0	115.5	W568 P573 T574	W568-G570 VanDerWaalsContact CE2-C 3.46Å; W568-G570 VanDerWaalsContact CE2-CA 3.48Å; W568-G570 WeakPolarHBondContact CZ2-O 3.02Å; W568-G570 PolarHBondContact O-N 3.13Å; G570-P573 WeakPolarHBondContact O-CD 3.25Å; G570-T574 WeakPolarHBondContact O-CB 3.15Å; G570-T574 PolarHBondContact O-N 3.02Å; G570-T574 VanDerWaalsContact O-N 3.12Å; G570-T574 PolarHBondContact O-OG1 3.1Å
571	F	87.1	Confident	87	Confident	20 Å²	20	75.5 Å²	75.5	9%	0.088	37%	0.367	C	S	.	.	H	α-helix	trans	-58.2	-56.5	-178.3	176.4	-108.5	0	0	0	113.2	P388 I558 Y559 S562 W568 T569 T574 I575	P388-F571 HydrophobicContact CB-CE1 4.34Å; P388-F571 HydrophobicContact CG-CE1 4.27Å; I558-F571 HydrophobicContact CG2-CD2 4.01Å; I558-F571 HydrophobicContact CG2-CE2 4.27Å; Y559-F571 HydrophobicContact CD1-CE2 4.15Å; Y559-F571 HydrophobicContact CD1-CZ 4.03Å; Y559-F571 HydrophobicContact CE1-CE2 4.31Å; Y559-F571 AromaticContact CE1-CZ 3.77Å; Y559-F571 HydrophobicContact CE1-CZ 3.77Å; Y559-F571 HydrophobicContact CG-CE2 4.36Å; S562-F571 WeakPolarHBondContact OG-CD2 3.41Å; W568-F571 HydrophobicContact CE3-CB 3.72Å; W568-F571 HydrophobicContact CE3-CD2 4.42Å; W568-F571 HydrophobicContact CZ3-CB 3.78Å; W568-F571 AromaticContact CZ3-CD2 3.98Å; W568-F571 HydrophobicContact CZ3-CD2 3.98Å; W568-F571 HydrophobicContact CZ3-CG 4.4Å; T569-F571 VanDerWaalsContact C-N 3.32Å; T569-F571 PolarHBondContact O-N 3.24Å; F571-T574 PolarHBondContact O-N 3.45Å; F571-I575 HydrophobicContact CD1-CD1 4.39Å; F571-I575 HydrophobicContact CD2-CD1 3.82Å; F571-I575 HydrophobicContact CD2-CG1 4.43Å; F571-I575 HydrophobicContact CE1-CD1 3.82Å; F571-I575 HydrophobicContact CE2-CD1 3.21Å; F571-I575 HydrophobicContact CE2-CG1 4.22Å; F571-I575 HydrophobicContact CG-CD1 4.4Å; F571-I575 HydrophobicContact CZ-CD1 3.2Å; F571-I575 HydrophobicContact CZ-CG1 4.5Å; F571-I575 PolarHBondContact O-N 3.27Å; F571-I575 VanDerWaalsContact O-N 3.1Å
572	Q	83.5	Confident	86.9	Confident	82 Å²	82	70.9 Å²	70.9	38%	0.383	35%	0.351	S	S	.	.	H	α-helix	trans	-60.9	-49.6	-177.4	-68.6	-69.9	-12.5	0	0	112.4	P388 T574 F576	P388-Q572 VanDerWaalsContact CD-NE2 3.35Å; P388-Q572 VanDerWaalsContact CG-NE2 3.31Å; Q572-T574 VanDerWaalsContact C-N 3.31Å; Q572-T574 PolarHBondContact O-N 3.38Å; Q572-F576 WeakPolarHBondContact O-CB 3.25Å; Q572-F576 PolarHBondContact O-N 3.43Å
573	P	86.9	Confident	86.9	Confident	68 Å²	68	73 Å²	73	44%	0.442	37%	0.366	S	S	.	.	H	α-helix	trans	-58.7	-39.1	175.5	-24.9	33.6	0	0	0	113.7	G570 F576 W577	G570-P573 WeakPolarHBondContact O-CD 3.25Å; P573-F576 WeakPolarHBondContact O-CB 3.45Å; P573-F576 PolarHBondContact O-N 3.39Å; P573-W577 PolarHBondContact O-N 3.2Å
574	T	91	Very high	87.1	Confident	50 Å²	50	71.3 Å²	71.3	31%	0.307	37%	0.367	S	S	.	.	H	α-helix	trans	-69.7	-48.5	-175.6	-51.4	0	0	0	0	111.3	I558 W568 G570 F571 Q572 F576 W577 T578	I558-T574 HydrophobicContact CD1-CG2 3.58Å; I558-T574 HydrophobicContact CG1-CG2 3.98Å; I558-T574 HydrophobicContact CG2-CG2 4.48Å; W568-T574 HydrophobicContact CH2-CG2 4.34Å; W568-T574 WeakPolarHBondContact CH2-OG1 3.39Å; W568-T574 WeakPolarHBondContact CZ2-OG1 3.42Å; G570-T574 WeakPolarHBondContact O-CB 3.15Å; G570-T574 PolarHBondContact O-N 3.02Å; G570-T574 VanDerWaalsContact O-N 3.12Å; G570-T574 PolarHBondContact O-OG1 3.1Å; F571-T574 PolarHBondContact O-N 3.45Å; Q572-T574 VanDerWaalsContact C-N 3.31Å; Q572-T574 PolarHBondContact O-N 3.38Å; T574-F576 VanDerWaalsContact C-N 3.25Å; T574-F576 PolarHBondContact O-N 3.27Å; T574-W577 PolarHBondContact O-N 3.38Å; T574-T578 WeakPolarHBondContact O-CG2 3.13Å; T574-T578 PolarHBondContact O-N 2.89Å
575	I	88.7	Confident	87.2	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.015	35%	0.351	C	S	.	.	H	α-helix	trans	-61.5	-38.6	175.5	-68.4	-176.1	0	0	0	111.2	I558 Y559 F571 T578 K579	I558-I575 HydrophobicContact CG2-CD1 4.16Å; I558-I575 HydrophobicContact CG2-CG1 3.67Å; Y559-I575 HydrophobicContact CD2-CD1 4.13Å; Y559-I575 HydrophobicContact CE2-CD1 3.58Å; F571-I575 HydrophobicContact CD1-CD1 4.39Å; F571-I575 HydrophobicContact CD2-CD1 3.82Å; F571-I575 HydrophobicContact CD2-CG1 4.43Å; F571-I575 HydrophobicContact CE1-CD1 3.82Å; F571-I575 HydrophobicContact CE2-CD1 3.21Å; F571-I575 HydrophobicContact CE2-CG1 4.22Å; F571-I575 HydrophobicContact CG-CD1 4.4Å; F571-I575 HydrophobicContact CZ-CD1 3.2Å; F571-I575 HydrophobicContact CZ-CG1 4.5Å; F571-I575 PolarHBondContact O-N 3.27Å; F571-I575 VanDerWaalsContact O-N 3.1Å; I575-T578 WeakPolarHBondContact CA-OG1 3.3Å; I575-T578 PolarHBondContact O-N 3.11Å; I575-T578 PolarHBondContact O-OG1 3.27Å; I575-K579 HydrophobicContact CG2-CD 4.18Å; I575-K579 HydrophobicContact CG2-CG 4.44Å; I575-K579 WeakPolarHBondContact O-CG 3.25Å; I575-K579 PolarHBondContact O-N 2.87Å
576	F	85.7	Confident	87.2	Confident	36 Å²	36	62.9 Å²	62.9	16%	0.158	34%	0.341	C	S	.	.	H	α-helix	trans	-57.6	-50.6	175.4	172.5	-90.2	0	0	0	111.2	I385 Q572 P573 T574 T578 K579 V580 W632	I385-F576 HydrophobicContact CG2-CD2 3.94Å; I385-F576 HydrophobicContact CG2-CE2 4.09Å; Q572-F576 WeakPolarHBondContact O-CB 3.25Å; Q572-F576 PolarHBondContact O-N 3.43Å; P573-F576 WeakPolarHBondContact O-CB 3.45Å; P573-F576 PolarHBondContact O-N 3.39Å; T574-F576 VanDerWaalsContact C-N 3.25Å; T574-F576 PolarHBondContact O-N 3.27Å; F576-T578 PolarHBondContact O-N 2.81Å; F576-K579 PolarHBondContact O-N 3.28Å; F576-V580 HydrophobicContact CD1-CG2 4.38Å; F576-V580 HydrophobicContact CE1-CG2 4.01Å; F576-V580 HydrophobicContact CE2-CG2 4.37Å; F576-V580 HydrophobicContact CZ-CG2 4Å; F576-V580 WeakPolarHBondContact O-CG2 3.42Å; F576-V580 PolarHBondContact O-N 3.22Å; F576-W632 HydrophobicContact CE2-CH2 4.23Å; F576-W632 AromaticContact CE2-CZ2 3.6Å; F576-W632 HydrophobicContact CE2-CZ2 3.6Å; F576-W632 AromaticContact CZ-CH2 3.75Å; F576-W632 HydrophobicContact CZ-CH2 3.75Å; F576-W632 AromaticContact CZ-CZ2 3.59Å; F576-W632 HydrophobicContact CZ-CZ2 3.59Å
577	W	90.2	Very high	87.6	Confident	157 Å²	157	61.4 Å²	61.4	60%	0.595	32%	0.322	S	S	*	.	H	α-helix	trans	-64.9	-38.6	179.8	-80.4	113.6	0	0	0	112.8	P573 T574 K579 V580 I581	P573-W577 PolarHBondContact O-N 3.2Å; T574-W577 PolarHBondContact O-N 3.38Å; W577-K579 PolarHBondContact O-N 3.24Å; W577-V580 PolarHBondContact O-N 3.24Å; W577-I581 WeakPolarHBondContact O-CB 3.23Å; W577-I581 WeakPolarHBondContact O-CD1 3.32Å; W577-I581 VanDerWaalsContact O-CG1 3.24Å; W577-I581 WeakPolarHBondContact O-CG1 3.46Å; W577-I581 PolarHBondContact O-N 2.92Å
578	T	90.8	Very high	88	Confident	24 Å²	24	59.8 Å²	59.8	15%	0.147	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-44	176.6	56.8	0	0	0	0	111.7	I554 I558 T574 I575 F576 I581 S582	I554-T578 HydrophobicContact CG2-CG2 3.79Å; I558-T578 HydrophobicContact CD1-CG2 3.67Å; T574-T578 WeakPolarHBondContact O-CG2 3.13Å; T574-T578 PolarHBondContact O-N 2.89Å; I575-T578 WeakPolarHBondContact CA-OG1 3.3Å; I575-T578 PolarHBondContact O-N 3.11Å; I575-T578 PolarHBondContact O-OG1 3.27Å; F576-T578 PolarHBondContact O-N 2.81Å; T578-I581 PolarHBondContact O-N 3.4Å; T578-S582 WeakPolarHBondContact O-CB 3.17Å; T578-S582 PolarHBondContact O-N 3.28Å
579	K	88	Confident	88.5	Confident	36 Å²	36	57 Å²	57	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-43.6	176.8	-73.5	179.3	-179.7	173.1	0	112.4	V384 I575 F576 W577 S582 S583	V384-K579 PolarHBondContact O-NZ 3.49Å; I575-K579 HydrophobicContact CG2-CD 4.18Å; I575-K579 HydrophobicContact CG2-CG 4.44Å; I575-K579 WeakPolarHBondContact O-CG 3.25Å; I575-K579 PolarHBondContact O-N 2.87Å; F576-K579 PolarHBondContact O-N 3.28Å; W577-K579 PolarHBondContact O-N 3.24Å; K579-S582 PolarHBondContact O-N 2.88Å; K579-S583 WeakPolarHBondContact O-CB 3.39Å; K579-S583 PolarHBondContact O-N 3.14Å
580	V	86.3	Confident	88.8	Confident	26 Å²	26	51.4 Å²	51.4	16%	0.158	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-46.8	178.7	171	0	0	0	0	110.7	F576 W577 S582 S583 V584 W632	F576-V580 HydrophobicContact CD1-CG2 4.38Å; F576-V580 HydrophobicContact CE1-CG2 4.01Å; F576-V580 HydrophobicContact CE2-CG2 4.37Å; F576-V580 HydrophobicContact CZ-CG2 4Å; F576-V580 WeakPolarHBondContact O-CG2 3.42Å; F576-V580 PolarHBondContact O-N 3.22Å; W577-V580 PolarHBondContact O-N 3.24Å; V580-S582 PolarHBondContact O-N 3.06Å; V580-S583 PolarHBondContact O-N 3.44Å; V580-V584 WeakPolarHBondContact O-CG2 3.33Å; V580-V584 PolarHBondContact O-N 2.85Å; V580-W632 HydrophobicContact CG2-CH2 3.7Å; V580-W632 HydrophobicContact CG2-CZ2 4.09Å; V580-W632 HydrophobicContact CG2-CZ3 4.4Å
581	I	90.8	Very high	89.1	Confident	93 Å²	93	53 Å²	53	48%	0.477	27%	0.27	S	S	.	.	H	α-helix	trans	-61.6	-46.4	178.2	-69.1	166.2	0	0	0	110.5	W577 T578 S583 V584 I585	W577-I581 WeakPolarHBondContact O-CB 3.23Å; W577-I581 WeakPolarHBondContact O-CD1 3.32Å; W577-I581 VanDerWaalsContact O-CG1 3.24Å; W577-I581 WeakPolarHBondContact O-CG1 3.46Å; W577-I581 PolarHBondContact O-N 2.92Å; T578-I581 PolarHBondContact O-N 3.4Å; I581-S583 PolarHBondContact O-N 2.79Å; I581-V584 PolarHBondContact O-N 3.42Å; I581-I585 HydrophobicContact CG2-CD1 3.71Å; I581-I585 HydrophobicContact CG2-CG1 4.43Å; I581-I585 WeakPolarHBondContact O-CG1 3.25Å; I581-I585 PolarHBondContact O-N 3.27Å
582	S	90.1	Very high	89.4	Confident	16 Å²	16	55.6 Å²	55.6	11%	0.112	28%	0.284	C	S	.	.	H	α-helix	trans	-56.4	-49.2	175.8	-169.6	0	0	0	0	111.3	T578 K579 V580 V584 I585 D586	T578-S582 WeakPolarHBondContact O-CB 3.17Å; T578-S582 PolarHBondContact O-N 3.28Å; K579-S582 PolarHBondContact O-N 2.88Å; V580-S582 PolarHBondContact O-N 3.06Å; S582-V584 VanDerWaalsContact C-N 3.29Å; S582-V584 PolarHBondContact O-N 3.3Å; S582-I585 PolarHBondContact O-N 2.81Å; S582-D586 WeakPolarHBondContact O-CB 3.5Å; S582-D586 VanDerWaalsContact O-CG 3.28Å; S582-D586 PolarHBondContact O-N 3.47Å
583	S	86.8	Confident	89.6	Confident	58 Å²	58	52.4 Å²	52.4	41%	0.406	27%	0.27	S	S	.	.	H	α-helix	trans	-61.8	-34.9	179.9	-179.5	0	0	0	0	113.2	K579 V580 I581 Y587	K579-S583 WeakPolarHBondContact O-CB 3.39Å; K579-S583 PolarHBondContact O-N 3.14Å; V580-S583 PolarHBondContact O-N 3.44Å; I581-S583 PolarHBondContact O-N 2.79Å; S583-Y587 PolarHBondContact O-N 2.95Å; S583-Y587 VanDerWaalsContact O-N 3.17Å
584	V	90.3	Very high	89.7	Confident	70 Å²	70	50.6 Å²	50.6	42%	0.424	26%	0.256	S	S	.	.	H	α-helix	trans	-69.7	-44.8	176.6	169.4	0	0	0	0	110.4	V580 I581 S582 Y587 F588	V580-V584 WeakPolarHBondContact O-CG2 3.33Å; V580-V584 PolarHBondContact O-N 2.85Å; I581-V584 PolarHBondContact O-N 3.42Å; S582-V584 VanDerWaalsContact C-N 3.29Å; S582-V584 PolarHBondContact O-N 3.3Å; V584-Y587 WeakPolarHBondContact O-CB 3.08Å; V584-Y587 PolarHBondContact O-N 3.43Å; V584-F588 HydrophobicContact CG1-CD2 3.76Å; V584-F588 HydrophobicContact CG1-CE2 3.51Å; V584-F588 WeakPolarHBondContact O-CD2 3.46Å; V584-F588 PolarHBondContact O-N 2.98Å
585	I	91.4	Very high	89.7	Confident	55 Å²	55	52.6 Å²	52.6	28%	0.282	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-45.6	177.8	-66.3	167.8	0	0	0	110.8	I547 I581 S582 Y587 F588 I589	I547-I585 HydrophobicContact CD1-CG2 3.87Å; I547-I585 HydrophobicContact CG2-CD1 4.5Å; I547-I585 HydrophobicContact CG2-CG2 4.04Å; I581-I585 HydrophobicContact CG2-CD1 3.71Å; I581-I585 HydrophobicContact CG2-CG1 4.43Å; I581-I585 WeakPolarHBondContact O-CG1 3.25Å; I581-I585 PolarHBondContact O-N 3.27Å; S582-I585 PolarHBondContact O-N 2.81Å; I585-Y587 VanDerWaalsContact C-N 3.26Å; I585-Y587 PolarHBondContact O-N 3.39Å; I585-F588 PolarHBondContact O-N 3.42Å; I585-F588 VanDerWaalsContact O-N 3.1Å; I585-I589 HydrophobicContact CG2-CD1 3.87Å; I585-I589 HydrophobicContact CG2-CG1 4.34Å; I585-I589 WeakPolarHBondContact O-CG1 3.3Å; I585-I589 PolarHBondContact O-N 2.95Å
586	D	88	Confident	89.5	Confident	44 Å²	44	52.7 Å²	52.7	24%	0.235	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-37.2	177.5	-70.9	-33.9	0	0	0	112.1	S582 S590	S582-D586 WeakPolarHBondContact O-CB 3.5Å; S582-D586 VanDerWaalsContact O-CG 3.28Å; S582-D586 PolarHBondContact O-N 3.47Å; D586-S590 WeakPolarHBondContact O-CB 3.11Å; D586-S590 PolarHBondContact O-N 3.08Å; D586-S590 PolarHBondContact O-OG 3.47Å
587	Y	90.5	Very high	89.5	Confident	73 Å²	73	51 Å²	51	29%	0.286	26%	0.257	S	S	.	.	H	α-helix	trans	-64.1	-46.3	173	175.5	-101.1	0	0	0	112	S583 V584 I585 I589 S590 L591 L622 A626	S583-Y587 PolarHBondContact O-N 2.95Å; S583-Y587 VanDerWaalsContact O-N 3.17Å; V584-Y587 WeakPolarHBondContact O-CB 3.08Å; V584-Y587 PolarHBondContact O-N 3.43Å; I585-Y587 VanDerWaalsContact C-N 3.26Å; I585-Y587 PolarHBondContact O-N 3.39Å; Y587-I589 PolarHBondContact O-N 3.24Å; Y587-S590 PolarHBondContact O-N 3.47Å; Y587-L591 WeakPolarHBondContact O-CB 3.32Å; Y587-L591 PolarHBondContact O-N 2.95Å; Y587-L622 HydrophobicContact CD2-CD1 4.41Å; Y587-L622 HydrophobicContact CE2-CD1 3.77Å; Y587-A626 HydrophobicContact CE2-CB 3.82Å
588	F	92.5	Very high	89.2	Confident	121 Å²	121	44.8 Å²	44.8	53%	0.531	24%	0.237	S	C	.	.	H	α-helix	trans	-63.7	-39.9	177.5	-80.4	-67.4	0	0	0	112.7	V584 I585 L591 L592	V584-F588 HydrophobicContact CG1-CD2 3.76Å; V584-F588 HydrophobicContact CG1-CE2 3.51Å; V584-F588 WeakPolarHBondContact O-CD2 3.46Å; V584-F588 PolarHBondContact O-N 2.98Å; I585-F588 PolarHBondContact O-N 3.42Å; I585-F588 VanDerWaalsContact O-N 3.1Å; F588-L591 PolarHBondContact O-N 3.37Å; F588-L592 WeakPolarHBondContact O-CB 3.46Å; F588-L592 PolarHBondContact O-N 3.21Å
589	I	91.8	Very high	89	Confident	14 Å²	14	48.9 Å²	48.9	7%	0.072	25%	0.25	C	S	.	.	H	α-helix	trans	-62	-47.6	174	-66.9	171.8	0	0	0	109.9	L540 Q544 I547 I585 Y587 L591 L592 S593	L540-I589 HydrophobicContact CB-CG2 4.4Å; Q544-I589 HydrophobicContact CB-CD1 4.09Å; Q544-I589 HydrophobicContact CB-CG2 4.19Å; Q544-I589 HydrophobicContact CG-CD1 4.42Å; I547-I589 HydrophobicContact CD1-CD1 3.94Å; I585-I589 HydrophobicContact CG2-CD1 3.87Å; I585-I589 HydrophobicContact CG2-CG1 4.34Å; I585-I589 WeakPolarHBondContact O-CG1 3.3Å; I585-I589 PolarHBondContact O-N 2.95Å; Y587-I589 PolarHBondContact O-N 3.24Å; I589-L591 VanDerWaalsContact C-N 3.3Å; I589-L591 PolarHBondContact O-N 3.28Å; I589-L592 PolarHBondContact O-N 3.4Å; I589-L592 VanDerWaalsContact O-N 3.15Å; I589-S593 PolarHBondContact O-N 2.81Å; I589-S593 PolarHBondContact O-OG 3.45Å
590	S	89.7	Confident	88.5	Confident	18 Å²	18	47.5 Å²	47.5	13%	0.126	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-39.7	178.2	-59.5	0	0	0	0	112.4	D586 Y587 S593 F594 Y617	D586-S590 WeakPolarHBondContact O-CB 3.11Å; D586-S590 PolarHBondContact O-N 3.08Å; D586-S590 PolarHBondContact O-OG 3.47Å; Y587-S590 PolarHBondContact O-N 3.47Å; S590-S593 VanDerWaalsContact CA-OG 3.27Å; S590-S593 WeakPolarHBondContact CA-OG 3.46Å; S590-S593 PolarHBondContact O-OG 3.46Å; S590-F594 PolarHBondContact O-N 3.5Å; S590-Y617 PolarHBondContact O-OH 2.98Å
591	L	92.3	Very high	88.1	Confident	50 Å²	50	47 Å²	47	26%	0.262	24%	0.241	S	C	.	.	H	α-helix	trans	-65.2	-45.4	174.5	179.7	67.3	0	0	0	111	Y587 F588 I589 S593 F594 L595 L622	Y587-L591 WeakPolarHBondContact O-CB 3.32Å; Y587-L591 PolarHBondContact O-N 2.95Å; F588-L591 PolarHBondContact O-N 3.37Å; I589-L591 VanDerWaalsContact C-N 3.3Å; I589-L591 PolarHBondContact O-N 3.28Å; L591-S593 PolarHBondContact O-N 3.37Å; L591-F594 WeakPolarHBondContact O-CB 3.21Å; L591-F594 PolarHBondContact O-N 3.42Å; L591-L595 HydrophobicContact CG-CD1 4.46Å; L591-L595 WeakPolarHBondContact O-CG 3.24Å; L591-L595 PolarHBondContact O-N 2.96Å; L591-L622 HydrophobicContact CB-CD1 4.27Å; L591-L622 HydrophobicContact CD1-CD1 4.23Å; L591-L622 HydrophobicContact CD1-CD2 4.16Å
592	L	91.9	Very high	87.5	Confident	74 Å²	74	51 Å²	51	39%	0.387	26%	0.256	S	S	.	.	H	α-helix	trans	-67.4	-37.3	179.9	-169.5	51.7	0	0	0	111.4	L540 F588 I589 L595 T596	L540-L592 HydrophobicContact CD1-CB 4.14Å; L540-L592 HydrophobicContact CD1-CD2 4.32Å; L540-L592 HydrophobicContact CD1-CG 3.76Å; L540-L592 HydrophobicContact CD2-CB 4.11Å; L540-L592 HydrophobicContact CD2-CD2 3.38Å; L540-L592 HydrophobicContact CD2-CG 3.75Å; L540-L592 HydrophobicContact CG-CD2 4.43Å; L540-L592 HydrophobicContact CG-CG 4.39Å; F588-L592 WeakPolarHBondContact O-CB 3.46Å; F588-L592 PolarHBondContact O-N 3.21Å; I589-L592 PolarHBondContact O-N 3.4Å; I589-L592 VanDerWaalsContact O-N 3.15Å; L592-L595 HydrophobicContact CD1-CD1 4.42Å; L592-L595 PolarHBondContact O-N 3.25Å; L592-T596 WeakPolarHBondContact O-CG2 3.28Å; L592-T596 PolarHBondContact O-N 3.26Å
593	S	87.9	Confident	86.5	Confident	14 Å²	14	55.9 Å²	55.9	10%	0.098	27%	0.272	C	S	.	.	H	α-helix	trans	-68.1	-31.5	171.9	50.1	0	0	0	0	113.2	I589 S590 L591 T596 V597 Y617	I589-S593 PolarHBondContact O-N 2.81Å; I589-S593 PolarHBondContact O-OG 3.45Å; S590-S593 VanDerWaalsContact CA-OG 3.27Å; S590-S593 WeakPolarHBondContact CA-OG 3.46Å; S590-S593 PolarHBondContact O-OG 3.46Å; L591-S593 PolarHBondContact O-N 3.37Å; S593-T596 PolarHBondContact O-OG1 2.95Å; S593-V597 WeakPolarHBondContact O-CG2 3.48Å; S593-V597 PolarHBondContact O-N 3.23Å; S593-Y617 PolarHBondContact OG-OH 3.49Å
594	F	90.1	Very high	85.7	Confident	31 Å²	31	54.6 Å²	54.6	14%	0.136	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-46.7	168.7	177.2	-111.1	0	0	0	111.2	S590 L591 T596 V597 C598 I614 Y617 F618 L622	S590-F594 PolarHBondContact O-N 3.5Å; L591-F594 WeakPolarHBondContact O-CB 3.21Å; L591-F594 PolarHBondContact O-N 3.42Å; F594-T596 VanDerWaalsContact C-N 3.3Å; F594-T596 PolarHBondContact O-N 2.9Å; F594-V597 WeakPolarHBondContact O-CB 3.46Å; F594-V597 PolarHBondContact O-N 3.31Å; F594-C598 PolarHBondContact O-N 3.24Å; F594-I614 HydrophobicContact CE2-CG2 3.8Å; F594-I614 HydrophobicContact CZ-CG2 4.05Å; F594-Y617 HydrophobicContact CB-CD1 3.93Å; F594-Y617 HydrophobicContact CB-CE1 3.57Å; F594-Y617 AromaticContact CD2-CD1 3.43Å; F594-Y617 HydrophobicContact CD2-CD1 3.43Å; F594-Y617 VanDerWaalsContact CD2-CD1 3.43Å; F594-Y617 HydrophobicContact CD2-CE1 4.02Å; F594-Y617 HydrophobicContact CD2-CG 4.25Å; F594-Y617 HydrophobicContact CE2-CD1 4.37Å; F594-Y617 HydrophobicContact CG-CD1 4.13Å; F594-Y617 HydrophobicContact CG-CE1 4.27Å; F594-F618 HydrophobicContact CE2-CB 4.12Å; F594-F618 HydrophobicContact CZ-CD2 4.31Å; F594-L622 HydrophobicContact CB-CD2 4.34Å; F594-L622 HydrophobicContact CD1-CD2 3.93Å; F594-L622 HydrophobicContact CE1-CD2 4.36Å; F594-L622 HydrophobicContact CG-CD2 4.05Å
595	L	89.8	Confident	84.4	Confident	91 Å²	91	55 Å²	55	48%	0.476	27%	0.267	S	S	.	.	H	α-helix	trans	-61.3	-36.8	179.2	-68.2	173.2	0	0	0	112.1	L591 L592 V597 C598 W599	L591-L595 HydrophobicContact CG-CD1 4.46Å; L591-L595 WeakPolarHBondContact O-CG 3.24Å; L591-L595 PolarHBondContact O-N 2.96Å; L592-L595 HydrophobicContact CD1-CD1 4.42Å; L592-L595 PolarHBondContact O-N 3.25Å; L595-V597 VanDerWaalsContact C-N 3.35Å; L595-C598 PolarHBondContact O-N 3.39Å; L595-W599 WeakPolarHBondContact O-CB 3.27Å; L595-W599 PolarHBondContact O-N 2.9Å
596	T	85.5	Confident	83.4	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-67.7	-33.3	173.8	62.5	0	0	0	0	112.9	L536 L540 L592 S593 F594 W599 L600	L536-T596 HydrophobicContact CB-CG2 4.29Å; L536-T596 HydrophobicContact CD2-CG2 3.56Å; L536-T596 HydrophobicContact CG-CG2 3.82Å; L540-T596 HydrophobicContact CD1-CG2 4Å; L592-T596 WeakPolarHBondContact O-CG2 3.28Å; L592-T596 PolarHBondContact O-N 3.26Å; S593-T596 PolarHBondContact O-OG1 2.95Å; F594-T596 VanDerWaalsContact C-N 3.3Å; F594-T596 PolarHBondContact O-N 2.9Å; T596-W599 WeakPolarHBondContact O-CB 3.39Å; T596-W599 PolarHBondContact O-N 2.82Å; T596-L600 WeakPolarHBondContact O-CG 3.35Å; T596-L600 PolarHBondContact O-N 3.48Å
597	V	84.1	Confident	82.6	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-67.1	-44.4	172.7	174.9	0	0	0	0	110.5	S593 F594 L595 W599 L600 V601 I613 I614	S593-V597 WeakPolarHBondContact O-CG2 3.48Å; S593-V597 PolarHBondContact O-N 3.23Å; F594-V597 WeakPolarHBondContact O-CB 3.46Å; F594-V597 PolarHBondContact O-N 3.31Å; L595-V597 VanDerWaalsContact C-N 3.35Å; V597-W599 VanDerWaalsContact C-N 3.34Å; V597-W599 PolarHBondContact O-N 3.43Å; V597-L600 PolarHBondContact O-N 3Å; V597-V601 PolarHBondContact O-N 3.47Å; V597-I613 HydrophobicContact CG1-CG2 4.27Å; V597-I614 HydrophobicContact CG1-CG1 4.04Å
598	C	85.3	Confident	82.1	Confident	26 Å²	26	61.1 Å²	61.1	18%	0.176	31%	0.308	C	S	.	.	H	α-helix	trans	-59.1	-45.2	173.8	-67.3	0	0	0	0	111.7	F594 L595 L600 V601 F602	F594-C598 PolarHBondContact O-N 3.24Å; L595-C598 PolarHBondContact O-N 3.39Å; C598-L600 VanDerWaalsContact C-N 3.33Å; C598-L600 PolarHBondContact O-N 3.16Å; C598-V601 PolarHBondContact O-N 2.6Å; C598-V601 VanDerWaalsContact O-N 3.17Å; C598-F602 VanDerWaalsContact O-CD2 3.24Å; C598-F602 WeakPolarHBondContact O-CD2 3.4Å; C598-F602 PolarHBondContact O-N 3.5Å
599	W	85.5	Confident	81.3	Confident	110 Å²	110	59.5 Å²	59.5	42%	0.417	31%	0.311	S	S	.	.	H	α-helix	trans	-53.7	-49.3	174.3	-177.1	-52.6	0	0	0	111.1	E529 A533 L595 T596 V597 V601 F602 Y603	E529-W599 HydrophobicContact CB-CZ2 4.49Å; A533-W599 HydrophobicContact CB-CG 4.2Å; L595-W599 WeakPolarHBondContact O-CB 3.27Å; L595-W599 PolarHBondContact O-N 2.9Å; T596-W599 WeakPolarHBondContact O-CB 3.39Å; T596-W599 PolarHBondContact O-N 2.82Å; V597-W599 VanDerWaalsContact C-N 3.34Å; V597-W599 PolarHBondContact O-N 3.43Å; W599-V601 PolarHBondContact O-N 2.92Å; W599-F602 PolarHBondContact O-N 3.28Å; W599-F602 VanDerWaalsContact O-N 3.1Å; W599-Y603 AromaticContact CD1-CD2 3.38Å; W599-Y603 AromaticContact CD1-CE2 3.79Å; W599-Y603 HydrophobicContact CD2-CE2 4.34Å; W599-Y603 AromaticContact CE2-CE2 3.71Å; W599-Y603 HydrophobicContact CG-CD2 4.23Å; W599-Y603 HydrophobicContact CG-CE2 4.36Å; W599-Y603 HydrophobicContact CZ2-CE2 4.2Å; W599-Y603 AromaticContact NE1-CD2 3.23Å; W599-Y603 AromaticContact NE1-CE2 3.31Å; W599-Y603 VanDerWaalsContact NE1-CE2 3.31Å; W599-Y603 WeakPolarHBondContact O-CD2 3.36Å; W599-Y603 PolarHBondContact O-N 3.39Å
600	L	79	Confident	80.6	Confident	8 Å²	8	60.5 Å²	60.5	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-58.2	-36.3	-179.6	-78.6	163.8	0	0	0	112.8	A530 A533 R534 T596 V597 C598 Y603 D604	A530-L600 HydrophobicContact CB-CD2 3.73Å; A530-L600 WeakPolarHBondContact O-CD2 3.46Å; A533-L600 HydrophobicContact CB-CD1 4.35Å; A533-L600 HydrophobicContact CB-CD2 3.81Å; A533-L600 HydrophobicContact CB-CG 3.74Å; R534-L600 HydrophobicContact CG-CD1 4.36Å; R534-L600 HydrophobicContact CG-CD2 4.2Å; T596-L600 WeakPolarHBondContact O-CG 3.35Å; T596-L600 PolarHBondContact O-N 3.48Å; V597-L600 PolarHBondContact O-N 3Å; C598-L600 VanDerWaalsContact C-N 3.33Å; C598-L600 PolarHBondContact O-N 3.16Å; L600-Y603 PolarHBondContact O-N 3.5Å; L600-D604 PolarHBondContact O-N 3.29Å
601	V	77.4	Confident	80.3	Confident	14 Å²	14	63.5 Å²	63.5	9%	0.085	33%	0.328	C	S	.	.	H	α-helix	trans	-69	-34.8	177.9	176.9	0	0	0	0	112.5	V597 C598 W599 Y603 F606 R610 I614	V597-V601 PolarHBondContact O-N 3.47Å; C598-V601 PolarHBondContact O-N 2.6Å; C598-V601 VanDerWaalsContact O-N 3.17Å; W599-V601 PolarHBondContact O-N 2.92Å; V601-Y603 VanDerWaalsContact C-N 3.35Å; V601-F606 HydrophobicContact CG1-CD2 4.28Å; V601-R610 HydrophobicContact CG1-CB 4.42Å; V601-R610 HydrophobicContact CG2-CB 3.75Å; V601-I614 HydrophobicContact CB-CD1 4.02Å; V601-I614 HydrophobicContact CG1-CD1 4.25Å; V601-I614 HydrophobicContact CG2-CD1 3.53Å; V601-I614 HydrophobicContact CG2-CG1 4.21Å
602	F	77.2	Confident	79.9	Confident	179 Å²	179	67.9 Å²	67.9	79%	0.785	35%	0.345	S	S	*	.	H	α-helix	trans	-67.6	-34	177.4	-81.5	-72.5	0	0	0	112.9	C598 W599	C598-F602 VanDerWaalsContact O-CD2 3.24Å; C598-F602 WeakPolarHBondContact O-CD2 3.4Å; C598-F602 PolarHBondContact O-N 3.5Å; W599-F602 PolarHBondContact O-N 3.28Å; W599-F602 VanDerWaalsContact O-N 3.1Å
603	Y	70.8	Confident	79.5	Confident	117 Å²	117	65 Å²	65	46%	0.459	33%	0.33	S	S	.	.	H	α-helix	trans	-100.9	-30.6	-172.1	-76.5	-85.7	0	0	0	115.7	S527 E529 W599 L600 V601	S527-Y603 WeakPolarHBondContact OG-CB 3.38Å; E529-Y603 HydrophobicContact CB-CD1 3.88Å; E529-Y603 HydrophobicContact CB-CD2 4.34Å; E529-Y603 HydrophobicContact CB-CE1 4.08Å; E529-Y603 HydrophobicContact CB-CE2 4.5Å; E529-Y603 HydrophobicContact CB-CG 4.02Å; E529-Y603 HydrophobicContact CG-CD1 4.05Å; E529-Y603 HydrophobicContact CG-CE1 3.81Å; W599-Y603 AromaticContact CD1-CD2 3.38Å; W599-Y603 AromaticContact CD1-CE2 3.79Å; W599-Y603 HydrophobicContact CD2-CE2 4.34Å; W599-Y603 AromaticContact CE2-CE2 3.71Å; W599-Y603 HydrophobicContact CG-CD2 4.23Å; W599-Y603 HydrophobicContact CG-CE2 4.36Å; W599-Y603 HydrophobicContact CZ2-CE2 4.2Å; W599-Y603 AromaticContact NE1-CD2 3.23Å; W599-Y603 AromaticContact NE1-CE2 3.31Å; W599-Y603 VanDerWaalsContact NE1-CE2 3.31Å; W599-Y603 WeakPolarHBondContact O-CD2 3.36Å; W599-Y603 PolarHBondContact O-N 3.39Å; L600-Y603 PolarHBondContact O-N 3.5Å; V601-Y603 VanDerWaalsContact C-N 3.35Å
604	D	68	Low	79.4	Confident	31 Å²	31	65.9 Å²	65.9	17%	0.166	33%	0.334	C	S	.	.	S	Bend	trans	-97.2	18.8	-176.5	-112.5	9.8	0	0	0	113.2	S526 S527 A530 R534 L600 R610	S526-D604 WeakPolarHBondContact CA-OD1 3.32Å; S526-D604 PolarHBondContact OG-OD1 3.32Å; S526-D604 VanDerWaalsContact OG-OD1 3.12Å; S526-D604 PolarHBondContact OG-OD2 3.23Å; S527-D604 PolarHBondContact N-OD1 2.79Å; A530-D604 HydrophobicContact CB-CB 4.47Å; R534-D604 IonicContact CZ-OD2 3.4Å; R534-D604 IonicContact NH1-OD2 3.03Å; R534-D604 IonicContact NH2-OD2 3.19Å; R534-D604 PolarHBondContact NH2-OD2 2.84Å; L600-D604 PolarHBondContact O-N 3.29Å; D604-R610 PolarHBondContact O-NH1 2.82Å
605	S	64.5	Low	79.4	Confident	80 Å²	80	67.4 Å²	67.4	56%	0.559	35%	0.347	S	S	*	.			trans	88.2	144.8	-175.5	-173.1	0	0	0	0	116.6	G607 R610	S605-G607 PolarHBondContact O-N 3.39Å; S605-R610 PolarHBondContact O-NH1 3.48Å
606	F	69.1	Low	79.3	Confident	153 Å²	153	64.6 Å²	64.6	67%	0.671	34%	0.335	S	S	*	.			trans	-81.2	102.4	179.2	-169.6	-94.5	0	0	0	110.7	V601 L611	V601-F606 HydrophobicContact CG1-CD2 4.28Å; F606-L611 HydrophobicContact CE2-CD1 4.21Å; F606-L611 HydrophobicContact CZ-CD1 3.76Å
607	G	72	Confident	79.2	Confident	24 Å²	24	65.6 Å²	65.6	25%	0.247	34%	0.338	C	S	.	.			trans	-114.4	141.7	176.3	0	0	0	0	0	112.4	S605 C609 R610 L611	S605-G607 PolarHBondContact O-N 3.39Å; G607-C609 VanDerWaalsContact C-N 3.26Å; G607-C609 PolarHBondContact O-N 2.96Å; G607-R610 WeakPolarHBondContact O-CB 3.14Å; G607-R610 PolarHBondContact O-N 3.28Å; G607-L611 PolarHBondContact O-N 3.07Å; G607-L611 VanDerWaalsContact O-N 3.13Å
608	V	79.1	Confident	79.5	Confident	123 Å²	123	70.1 Å²	70.1	75%	0.745	36%	0.358	S	S	*	.	H	α-helix	trans	-55.7	-41.3	177.4	178.3	0	0	0	0	111.6	R610 L611 F612	V608-R610 VanDerWaalsContact C-N 3.25Å; V608-R610 PolarHBondContact O-N 3.11Å; V608-L611 PolarHBondContact O-N 3.46Å; V608-F612 PolarHBondContact O-N 3.33Å
609	C	76.4	Confident	79.8	Confident	87 Å²	87	72 Å²	72	59%	0.588	37%	0.371	S	S	*	.	H	α-helix	trans	-58.6	-36.2	175.5	-57.8	0	0	0	0	112.5	G607 F612 I613	G607-C609 VanDerWaalsContact C-N 3.26Å; G607-C609 PolarHBondContact O-N 2.96Å; C609-F612 WeakPolarHBondContact O-CB 3.39Å; C609-F612 PolarHBondContact O-N 2.87Å; C609-I613 WeakPolarHBondContact O-CG1 3.34Å; C609-I613 PolarHBondContact O-N 3.45Å
610	R	76.5	Confident	79.8	Confident	34 Å²	34	73 Å²	73	13%	0.128	38%	0.384	C	S	.	.	H	α-helix	trans	-74.2	-34.9	178.7	-64.3	-175	-179	126.5	0.1	112.1	Q420 V601 D604 S605 G607 V608 I613 I614	Q420-R610 PolarHBondContact O-NE 3.25Å; Q420-R610 VanDerWaalsContact O-NE 3.17Å; Q420-R610 PolarHBondContact O-NH2 3.38Å; V601-R610 HydrophobicContact CG1-CB 4.42Å; V601-R610 HydrophobicContact CG2-CB 3.75Å; D604-R610 PolarHBondContact O-NH1 2.82Å; S605-R610 PolarHBondContact O-NH1 3.48Å; G607-R610 WeakPolarHBondContact O-CB 3.14Å; G607-R610 PolarHBondContact O-N 3.28Å; V608-R610 VanDerWaalsContact C-N 3.25Å; V608-R610 PolarHBondContact O-N 3.11Å; R610-I613 WeakPolarHBondContact O-CB 3.45Å; R610-I613 PolarHBondContact O-N 3.48Å; R610-I614 WeakPolarHBondContact O-CG1 3.46Å; R610-I614 PolarHBondContact O-N 3.49Å
611	L	83.2	Confident	80.1	Confident	81 Å²	81	75.4 Å²	75.4	42%	0.424	40%	0.399	S	S	.	.	H	α-helix	trans	-65.5	-41.3	172.1	-170.3	134.3	0	0	0	111.1	F606 G607 V608 I613 I614 C615	F606-L611 HydrophobicContact CE2-CD1 4.21Å; F606-L611 HydrophobicContact CZ-CD1 3.76Å; G607-L611 PolarHBondContact O-N 3.07Å; G607-L611 VanDerWaalsContact O-N 3.13Å; V608-L611 PolarHBondContact O-N 3.46Å; L611-I613 VanDerWaalsContact C-N 3.33Å; L611-I613 PolarHBondContact O-N 2.95Å; L611-I614 PolarHBondContact O-N 3.5Å; L611-C615 PolarHBondContact O-N 3.3Å; L611-C615 PolarHBondContact O-SG 3.28Å
612	F	85.1	Confident	80.6	Confident	143 Å²	143	75.2 Å²	75.2	63%	0.627	40%	0.398	S	S	*	.	H	α-helix	trans	-58.3	-45.2	171.6	-178.7	-101.4	0	0	0	111.7	V608 C609 I614 C615 C616	V608-F612 PolarHBondContact O-N 3.33Å; C609-F612 WeakPolarHBondContact O-CB 3.39Å; C609-F612 PolarHBondContact O-N 2.87Å; F612-I614 PolarHBondContact O-N 3.26Å; F612-C615 WeakPolarHBondContact O-CB 3.42Å; F612-C615 PolarHBondContact O-N 2.86Å; F612-C616 VanDerWaalsContact CE1-SG 3.5Å; F612-C616 VanDerWaalsContact CZ-SG 3.56Å; F612-C616 WeakPolarHBondContact O-CB 3.5Å; F612-C616 PolarHBondContact O-N 3.49Å; F612-C616 PolarHBondContact O-SG 2.97Å; F612-C616 VanDerWaalsContact O-SG 3.34Å
613	I	82.4	Confident	81.3	Confident	12 Å²	12	72.4 Å²	72.4	6%	0.062	38%	0.383	C	S	.	.	H	α-helix	trans	-56.5	-46.4	174	-77.9	167.9	0	0	0	112	F416 F419 Q420 V597 C609 R610 L611 C616 Y617	F416-I613 HydrophobicContact CD2-CG1 4.21Å; F416-I613 HydrophobicContact CE1-CG2 3.99Å; F416-I613 HydrophobicContact CE2-CB 4.06Å; F416-I613 HydrophobicContact CE2-CD1 4.36Å; F416-I613 HydrophobicContact CE2-CG1 3.69Å; F416-I613 HydrophobicContact CE2-CG2 3.63Å; F416-I613 HydrophobicContact CZ-CB 4.17Å; F416-I613 HydrophobicContact CZ-CG1 4.18Å; F416-I613 HydrophobicContact CZ-CG2 3.23Å; F419-I613 HydrophobicContact CB-CD1 4.32Å; Q420-I613 HydrophobicContact CB-CD1 4.47Å; V597-I613 HydrophobicContact CG1-CG2 4.27Å; C609-I613 WeakPolarHBondContact O-CG1 3.34Å; C609-I613 PolarHBondContact O-N 3.45Å; R610-I613 WeakPolarHBondContact O-CB 3.45Å; R610-I613 PolarHBondContact O-N 3.48Å; L611-I613 VanDerWaalsContact C-N 3.33Å; L611-I613 PolarHBondContact O-N 2.95Å; I613-C616 PolarHBondContact O-N 2.85Å; I613-Y617 WeakPolarHBondContact O-CB 3.04Å; I613-Y617 PolarHBondContact O-N 3.32Å
614	I	85.7	Confident	82	Confident	34 Å²	34	68.9 Å²	68.9	17%	0.174	37%	0.374	C	S	.	.	H	α-helix	trans	-60.8	-46.3	176.8	-71.8	172.1	0	0	0	110.5	F594 V597 V601 R610 L611 F612 C616 Y617 F618	F594-I614 HydrophobicContact CE2-CG2 3.8Å; F594-I614 HydrophobicContact CZ-CG2 4.05Å; V597-I614 HydrophobicContact CG1-CG1 4.04Å; V601-I614 HydrophobicContact CB-CD1 4.02Å; V601-I614 HydrophobicContact CG1-CD1 4.25Å; V601-I614 HydrophobicContact CG2-CD1 3.53Å; V601-I614 HydrophobicContact CG2-CG1 4.21Å; R610-I614 WeakPolarHBondContact O-CG1 3.46Å; R610-I614 PolarHBondContact O-N 3.49Å; L611-I614 PolarHBondContact O-N 3.5Å; F612-I614 PolarHBondContact O-N 3.26Å; I614-C616 PolarHBondContact O-N 2.88Å; I614-Y617 PolarHBondContact O-N 3.04Å; I614-F618 WeakPolarHBondContact O-CB 3.39Å; I614-F618 PolarHBondContact O-N 3.44Å
615	C	90	Very high	82.8	Confident	62 Å²	62	68.1 Å²	68.1	42%	0.419	37%	0.371	S	S	.	.	H	α-helix	trans	-60.5	-44.1	177.8	-69.6	0	0	0	0	111.7	L611 F612 S619	L611-C615 PolarHBondContact O-N 3.3Å; L611-C615 PolarHBondContact O-SG 3.28Å; F612-C615 WeakPolarHBondContact O-CB 3.42Å; F612-C615 PolarHBondContact O-N 2.86Å; C615-S619 VanDerWaalsContact O-CB 3.23Å; C615-S619 WeakPolarHBondContact O-CB 3.34Å; C615-S619 PolarHBondContact O-N 3.4Å; C615-S619 PolarHBondContact O-OG 3.26Å
616	C	87.8	Confident	83.9	Confident	33 Å²	33	65.8 Å²	65.8	22%	0.223	36%	0.356	C	S	.	.	H	α-helix	trans	-62.7	-46.6	174.8	-71.1	0	0	0	0	111.3	F612 I613 I614 F618 S619 L620	F612-C616 VanDerWaalsContact CE1-SG 3.5Å; F612-C616 VanDerWaalsContact CZ-SG 3.56Å; F612-C616 WeakPolarHBondContact O-CB 3.5Å; F612-C616 PolarHBondContact O-N 3.49Å; F612-C616 PolarHBondContact O-SG 2.97Å; F612-C616 VanDerWaalsContact O-SG 3.34Å; I613-C616 PolarHBondContact O-N 2.85Å; I614-C616 PolarHBondContact O-N 2.88Å; C616-F618 PolarHBondContact O-N 2.87Å; C616-S619 PolarHBondContact O-N 3.32Å; C616-L620 HydrophobicContact CB-CD1 4.38Å; C616-L620 WeakPolarHBondContact O-CB 3.15Å; C616-L620 VanDerWaalsContact O-CG 3.3Å; C616-L620 WeakPolarHBondContact O-CG 3.42Å; C616-L620 PolarHBondContact O-N 3.3Å
617	Y	85.2	Confident	84.8	Confident	26 Å²	26	64.8 Å²	64.8	10%	0.102	35%	0.348	C	S	.	.	H	α-helix	trans	-61.3	-45.9	179.3	-168.4	-76.6	0	0	0	111.4	S590 S593 F594 I613 I614 V621 L622	S590-Y617 PolarHBondContact O-OH 2.98Å; S593-Y617 PolarHBondContact OG-OH 3.49Å; F594-Y617 HydrophobicContact CB-CD1 3.93Å; F594-Y617 HydrophobicContact CB-CE1 3.57Å; F594-Y617 AromaticContact CD2-CD1 3.43Å; F594-Y617 HydrophobicContact CD2-CD1 3.43Å; F594-Y617 VanDerWaalsContact CD2-CD1 3.43Å; F594-Y617 HydrophobicContact CD2-CE1 4.02Å; F594-Y617 HydrophobicContact CD2-CG 4.25Å; F594-Y617 HydrophobicContact CE2-CD1 4.37Å; F594-Y617 HydrophobicContact CG-CD1 4.13Å; F594-Y617 HydrophobicContact CG-CE1 4.27Å; I613-Y617 WeakPolarHBondContact O-CB 3.04Å; I613-Y617 PolarHBondContact O-N 3.32Å; I614-Y617 PolarHBondContact O-N 3.04Å; Y617-V621 HydrophobicContact CD1-CB 4.18Å; Y617-V621 HydrophobicContact CD2-CG2 4.22Å; Y617-V621 HydrophobicContact CE1-CB 3.96Å; Y617-V621 HydrophobicContact CE1-CG1 4.02Å; Y617-V621 HydrophobicContact CE2-CB 4.32Å; Y617-V621 HydrophobicContact CE2-CG1 4.34Å; Y617-V621 HydrophobicContact CE2-CG2 4.19Å; Y617-V621 HydrophobicContact CG-CB 4.46Å; Y617-V621 HydrophobicContact CG-CG2 4.48Å; Y617-V621 WeakPolarHBondContact O-CA 3.29Å; Y617-V621 WeakPolarHBondContact O-CB 3.33Å; Y617-V621 PolarHBondContact O-N 3.47Å; Y617-L622 PolarHBondContact O-N 3.32Å
618	F	90.3	Very high	85.2	Confident	96 Å²	96	70.1 Å²	70.1	42%	0.421	36%	0.361	S	S	.	.	I	π-helix	trans	-59.8	-48.9	176.1	-178.7	-94.9	0	0	0	110.9	F594 I614 C616 L622 Y623	F594-F618 HydrophobicContact CE2-CB 4.12Å; F594-F618 HydrophobicContact CZ-CD2 4.31Å; I614-F618 WeakPolarHBondContact O-CB 3.39Å; I614-F618 PolarHBondContact O-N 3.44Å; C616-F618 PolarHBondContact O-N 2.87Å; F618-L622 HydrophobicContact CD2-CD2 3.94Å; F618-L622 HydrophobicContact CE2-CD2 4.18Å; F618-Y623 WeakPolarHBondContact O-CB 3.44Å; F618-Y623 PolarHBondContact O-N 2.99Å
619	S	89.8	Confident	85.4	Confident	65 Å²	65	65.9 Å²	65.9	46%	0.455	34%	0.339	S	S	.	.	I	π-helix	trans	-72.7	-33.6	-174.1	-54.8	0	0	0	0	113.7	C615 C616 P624	C615-S619 VanDerWaalsContact O-CB 3.23Å; C615-S619 WeakPolarHBondContact O-CB 3.34Å; C615-S619 PolarHBondContact O-N 3.4Å; C615-S619 PolarHBondContact O-OG 3.26Å; C616-S619 PolarHBondContact O-N 3.32Å; S619-P624 VanDerWaalsContact O-CD 3.22Å; S619-P624 WeakPolarHBondContact O-CD 3.13Å; S619-P624 VanDerWaalsContact O-CG 3.28Å; S619-P624 WeakPolarHBondContact O-CG 3.45Å
620	L	86.5	Confident	85.8	Confident	132 Å²	132	68.8 Å²	68.8	69%	0.691	34%	0.339	S	S	*	.	I	π-helix	trans	-100.7	-29.3	-173.2	-60.2	176.8	0	0	0	113.7	C616 P624	C616-L620 HydrophobicContact CB-CD1 4.38Å; C616-L620 WeakPolarHBondContact O-CB 3.15Å; C616-L620 VanDerWaalsContact O-CG 3.3Å; C616-L620 WeakPolarHBondContact O-CG 3.42Å; C616-L620 PolarHBondContact O-N 3.3Å; L620-P624 WeakPolarHBondContact O-CG 3.49Å
621	V	84.2	Confident	86.1	Confident	57 Å²	57	69.8 Å²	69.8	35%	0.345	35%	0.346	S	S	.	.	I	π-helix	trans	-110.2	-60.7	-175.2	-174.7	0	0	0	0	111	Y617 S625	Y617-V621 HydrophobicContact CD1-CB 4.18Å; Y617-V621 HydrophobicContact CD2-CG2 4.22Å; Y617-V621 HydrophobicContact CE1-CB 3.96Å; Y617-V621 HydrophobicContact CE1-CG1 4.02Å; Y617-V621 HydrophobicContact CE2-CB 4.32Å; Y617-V621 HydrophobicContact CE2-CG1 4.34Å; Y617-V621 HydrophobicContact CE2-CG2 4.19Å; Y617-V621 HydrophobicContact CG-CB 4.46Å; Y617-V621 HydrophobicContact CG-CG2 4.48Å; Y617-V621 WeakPolarHBondContact O-CA 3.29Å; Y617-V621 WeakPolarHBondContact O-CB 3.33Å; Y617-V621 PolarHBondContact O-N 3.47Å; V621-S625 WeakPolarHBondContact O-CB 3.43Å; V621-S625 PolarHBondContact O-N 2.64Å
622	L	89.6	Confident	86	Confident	11 Å²	11	67.5 Å²	67.5	6%	0.058	33%	0.332	C	S	.	.	I	π-helix	trans	-73.7	-49.4	-170.8	-175.3	61.8	0	0	0	112.7	Y587 L591 F594 Y617 F618 S625 A626	Y587-L622 HydrophobicContact CD2-CD1 4.41Å; Y587-L622 HydrophobicContact CE2-CD1 3.77Å; L591-L622 HydrophobicContact CB-CD1 4.27Å; L591-L622 HydrophobicContact CD1-CD1 4.23Å; L591-L622 HydrophobicContact CD1-CD2 4.16Å; F594-L622 HydrophobicContact CB-CD2 4.34Å; F594-L622 HydrophobicContact CD1-CD2 3.93Å; F594-L622 HydrophobicContact CE1-CD2 4.36Å; F594-L622 HydrophobicContact CG-CD2 4.05Å; Y617-L622 PolarHBondContact O-N 3.32Å; F618-L622 HydrophobicContact CD2-CD2 3.94Å; F618-L622 HydrophobicContact CE2-CD2 4.18Å; L622-S625 WeakPolarHBondContact O-CB 3.49Å; L622-S625 PolarHBondContact O-N 3.24Å; L622-A626 WeakPolarHBondContact O-CB 3.29Å; L622-A626 PolarHBondContact O-N 2.95Å
623	Y	90.1	Very high	85.9	Confident	120 Å²	120	64.7 Å²	64.7	47%	0.471	32%	0.322	S	S	.	.	H	α-helix	trans	-64	-45.1	-177.8	173.7	-103.3	0	0	0	112.4	F618 S625 A626 R627	F618-Y623 WeakPolarHBondContact O-CB 3.44Å; F618-Y623 PolarHBondContact O-N 2.99Å; Y623-S625 VanDerWaalsContact C-N 3.3Å; Y623-S625 PolarHBondContact O-N 3Å; Y623-A626 PolarHBondContact O-N 3.35Å; Y623-R627 HydrophobicContact CE1-CB 4.44Å; Y623-R627 HydrophobicContact CE2-CB 4.4Å; Y623-R627 WeakPolarHBondContact O-CB 3.38Å; Y623-R627 PolarHBondContact O-N 2.88Å
624	P	86.5	Confident	86	Confident	43 Å²	43	69 Å²	69	28%	0.279	34%	0.34	S	S	.	.	H	α-helix	trans	-63.8	-35.4	175.7	-26.4	39.4	0	0	0	112.3	S619 L620 R628	S619-P624 VanDerWaalsContact O-CD 3.22Å; S619-P624 WeakPolarHBondContact O-CD 3.13Å; S619-P624 VanDerWaalsContact O-CG 3.28Å; S619-P624 WeakPolarHBondContact O-CG 3.45Å; L620-P624 WeakPolarHBondContact O-CG 3.49Å; P624-R628 WeakPolarHBondContact O-CB 3.48Å; P624-R628 WeakPolarHBondContact O-CG 3.45Å; P624-R628 PolarHBondContact O-N 3.25Å; P624-R628 PolarHBondContact O-NE 2.89Å
625	S	84.9	Confident	85.7	Confident	14 Å²	14	69.8 Å²	69.8	10%	0.098	34%	0.341	C	S	.	.	H	α-helix	trans	-62.8	-48.1	173	-167.4	0	0	0	0	112	V621 L622 Y623 R628 A629	V621-S625 WeakPolarHBondContact O-CB 3.43Å; V621-S625 PolarHBondContact O-N 2.64Å; L622-S625 WeakPolarHBondContact O-CB 3.49Å; L622-S625 PolarHBondContact O-N 3.24Å; Y623-S625 VanDerWaalsContact C-N 3.3Å; Y623-S625 PolarHBondContact O-N 3Å; S625-R628 WeakPolarHBondContact O-CB 3.41Å; S625-R628 PolarHBondContact O-N 3.34Å; S625-A629 PolarHBondContact O-N 3.28Å; S625-A629 VanDerWaalsContact O-N 3.12Å
626	A	88.5	Confident	85.2	Confident	31 Å²	31	70.7 Å²	70.7	26%	0.256	34%	0.336	S	S	.	.	H	α-helix	trans	-66.2	-48.1	178.4	0	0	0	0	0	113	Y587 L622 Y623 R628 A629 Y630	Y587-A626 HydrophobicContact CE2-CB 3.82Å; L622-A626 WeakPolarHBondContact O-CB 3.29Å; L622-A626 PolarHBondContact O-N 2.95Å; Y623-A626 PolarHBondContact O-N 3.35Å; A626-R628 PolarHBondContact O-N 3.02Å; A626-A629 PolarHBondContact O-N 2.97Å; A626-Y630 WeakPolarHBondContact O-CB 3.41Å; A626-Y630 PolarHBondContact O-N 3.16Å
627	R	87	Confident	85	Confident	133 Å²	133	74.6 Å²	74.6	50%	0.502	35%	0.354	S	S	.	.	H	α-helix	trans	-59.3	-40.2	179	178.9	177.4	179.7	-93.9	1.6	110.4	Y623 L631	Y623-R627 HydrophobicContact CE1-CB 4.44Å; Y623-R627 HydrophobicContact CE2-CB 4.4Å; Y623-R627 WeakPolarHBondContact O-CB 3.38Å; Y623-R627 PolarHBondContact O-N 2.88Å; R627-L631 HydrophobicContact CG-CD1 3.82Å; R627-L631 HydrophobicContact CG-CG 4.3Å; R627-L631 WeakPolarHBondContact O-CB 3.27Å; R627-L631 VanDerWaalsContact O-CG 3.29Å; R627-L631 WeakPolarHBondContact O-CG 3.18Å; R627-L631 PolarHBondContact O-N 3.32Å
628	R	81.2	Confident	84.8	Confident	136 Å²	136	76.2 Å²	76.2	51%	0.513	36%	0.364	S	S	.	.	H	α-helix	trans	-56.6	-62.1	172.4	-84	-173.4	-58.9	171.1	4.3	110.2	W382 P624 S625 A626 Y630 L631 W632	W382-R628 HydrophobicContact CH2-CB 3.57Å; W382-R628 HydrophobicContact CH2-CG 3.89Å; W382-R628 WeakPolarHBondContact CH2-O 3.31Å; W382-R628 HydrophobicContact CZ2-CB 4.32Å; W382-R628 HydrophobicContact CZ2-CG 4.38Å; W382-R628 WeakPolarHBondContact CZ2-O 3.26Å; W382-R628 HydrophobicContact CZ3-CB 4.49Å; P624-R628 WeakPolarHBondContact O-CB 3.48Å; P624-R628 WeakPolarHBondContact O-CG 3.45Å; P624-R628 PolarHBondContact O-N 3.25Å; P624-R628 PolarHBondContact O-NE 2.89Å; S625-R628 WeakPolarHBondContact O-CB 3.41Å; S625-R628 PolarHBondContact O-N 3.34Å; A626-R628 PolarHBondContact O-N 3.02Å; R628-Y630 VanDerWaalsContact C-N 3.3Å; R628-Y630 PolarHBondContact O-N 3.42Å; R628-L631 PolarHBondContact O-N 2.95Å; R628-W632 PolarHBondContact O-N 3.4Å; R628-W632 VanDerWaalsContact O-N 3.14Å
629	A	82.4	Confident	84.1	Confident	34 Å²	34	72.5 Å²	72.5	28%	0.281	35%	0.35	S	S	.	.	H	α-helix	trans	-53.7	-44.5	-179.4	0	0	0	0	0	113.2	S625 A626 W632 I633	S625-A629 PolarHBondContact O-N 3.28Å; S625-A629 VanDerWaalsContact O-N 3.12Å; A626-A629 PolarHBondContact O-N 2.97Å; A629-W632 PolarHBondContact O-N 3.48Å; A629-I633 VanDerWaalsContact O-CG1 3.28Å; A629-I633 WeakPolarHBondContact O-CG1 3.34Å; A629-I633 PolarHBondContact O-N 2.86Å
630	Y	84.8	Confident	83.6	Confident	148 Å²	148	72.6 Å²	72.6	58%	0.58	35%	0.348	S	S	*	.	H	α-helix	trans	-63.6	-48.4	-179.6	173.5	-105.1	0	0	0	113.4	A626 R628 W632 I633 K634	A626-Y630 WeakPolarHBondContact O-CB 3.41Å; A626-Y630 PolarHBondContact O-N 3.16Å; R628-Y630 VanDerWaalsContact C-N 3.3Å; R628-Y630 PolarHBondContact O-N 3.42Å; Y630-W632 VanDerWaalsContact C-N 3.26Å; Y630-W632 PolarHBondContact O-N 2.91Å; Y630-I633 PolarHBondContact O-N 2.94Å; Y630-K634 HydrophobicContact CE1-CD 4.27Å; Y630-K634 VanDerWaalsContact O-CB 3.27Å; Y630-K634 WeakPolarHBondContact O-CB 3.48Å; Y630-K634 PolarHBondContact O-N 3.5Å
631	L	83.6	Confident	83.4	Confident	54 Å²	54	72.9 Å²	72.9	28%	0.283	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-38	-179.8	-74.3	174.1	0	0	0	111.3	W382 R627 R628 W635	W382-L631 HydrophobicContact CZ2-CB 3.8Å; R627-L631 HydrophobicContact CG-CD1 3.82Å; R627-L631 HydrophobicContact CG-CG 4.3Å; R627-L631 WeakPolarHBondContact O-CB 3.27Å; R627-L631 VanDerWaalsContact O-CG 3.29Å; R627-L631 WeakPolarHBondContact O-CG 3.18Å; R627-L631 PolarHBondContact O-N 3.32Å; R628-L631 PolarHBondContact O-N 2.95Å; L631-W635 VanDerWaalsContact O-CB 3.32Å; L631-W635 WeakPolarHBondContact O-CB 3.44Å; L631-W635 PolarHBondContact O-N 3.47Å
632	W	79.6	Confident	82.9	Confident	34 Å²	34	74.2 Å²	74.2	13%	0.129	34%	0.343	C	S	.	.	H	α-helix	trans	-63.8	-51.7	174.9	-178.2	72.1	0	0	0	112.9	W382 I385 F576 V580 R628 A629 Y630 K634 W635 R636	W382-W632 HydrophobicContact CD2-CB 4.01Å; W382-W632 HydrophobicContact CD2-CG 4.45Å; W382-W632 HydrophobicContact CE3-CB 3.46Å; W382-W632 VanDerWaalsContact CE3-CB 3.46Å; W382-W632 AromaticContact CE3-CD1 3.42Å; W382-W632 VanDerWaalsContact CE3-CD1 3.42Å; W382-W632 AromaticContact CE3-CG 3.72Å; W382-W632 HydrophobicContact CE3-CG 3.72Å; W382-W632 HydrophobicContact CH2-CB 3.91Å; W382-W632 HydrophobicContact CZ2-CB 4.33Å; W382-W632 HydrophobicContact CZ3-CB 3.43Å; W382-W632 VanDerWaalsContact CZ3-CB 3.43Å; W382-W632 AromaticContact CZ3-CG 3.98Å; W382-W632 HydrophobicContact CZ3-CG 3.98Å; I385-W632 HydrophobicContact CD1-CD2 4.33Å; I385-W632 HydrophobicContact CD1-CG 4.14Å; I385-W632 HydrophobicContact CG2-CZ2 4.39Å; F576-W632 HydrophobicContact CE2-CH2 4.23Å; F576-W632 AromaticContact CE2-CZ2 3.6Å; F576-W632 HydrophobicContact CE2-CZ2 3.6Å; F576-W632 AromaticContact CZ-CH2 3.75Å; F576-W632 HydrophobicContact CZ-CH2 3.75Å; F576-W632 AromaticContact CZ-CZ2 3.59Å; F576-W632 HydrophobicContact CZ-CZ2 3.59Å; V580-W632 HydrophobicContact CG2-CH2 3.7Å; V580-W632 HydrophobicContact CG2-CZ2 4.09Å; V580-W632 HydrophobicContact CG2-CZ3 4.4Å; R628-W632 PolarHBondContact O-N 3.4Å; R628-W632 VanDerWaalsContact O-N 3.14Å; A629-W632 PolarHBondContact O-N 3.48Å; Y630-W632 VanDerWaalsContact C-N 3.26Å; Y630-W632 PolarHBondContact O-N 2.91Å; W632-K634 VanDerWaalsContact C-N 3.26Å; W632-K634 PolarHBondContact O-N 3.14Å; W632-W635 PolarHBondContact O-N 2.82Å; W632-W635 VanDerWaalsContact O-N 3.16Å; W632-R636 WeakPolarHBondContact O-CB 3.44Å; W632-R636 PolarHBondContact O-N 3.26Å
633	I	83.2	Confident	82.4	Confident	84 Å²	84	74.3 Å²	74.3	43%	0.431	34%	0.343	S	S	.	.	H	α-helix	trans	-56.8	-46.8	177.9	-68.4	168.8	0	0	0	109.4	A629 Y630 W635 R636 L637	A629-I633 VanDerWaalsContact O-CG1 3.28Å; A629-I633 WeakPolarHBondContact O-CG1 3.34Å; A629-I633 PolarHBondContact O-N 2.86Å; Y630-I633 PolarHBondContact O-N 2.94Å; I633-W635 PolarHBondContact O-N 3.41Å; I633-R636 PolarHBondContact O-N 3.48Å; I633-L637 HydrophobicContact CG2-CD1 3.78Å; I633-L637 HydrophobicContact CG2-CG 4.27Å; I633-L637 WeakPolarHBondContact O-CB 3Å; I633-L637 VanDerWaalsContact O-CG 3.26Å; I633-L637 WeakPolarHBondContact O-CG 3.42Å; I633-L637 PolarHBondContact O-N 2.87Å
634	K	84.8	Confident	81.9	Confident	101 Å²	101	74.1 Å²	74.1	44%	0.439	35%	0.35	S	S	.	.	H	α-helix	trans	-58.7	-48.4	177.5	-179.2	179.4	176.3	-178.8	0	111.5	Y630 W632 L638	Y630-K634 HydrophobicContact CE1-CD 4.27Å; Y630-K634 VanDerWaalsContact O-CB 3.27Å; Y630-K634 WeakPolarHBondContact O-CB 3.48Å; Y630-K634 PolarHBondContact O-N 3.5Å; W632-K634 VanDerWaalsContact C-N 3.26Å; W632-K634 PolarHBondContact O-N 3.14Å; K634-L638 HydrophobicContact CG-CD1 3.79Å; K634-L638 VanDerWaalsContact O-CB 3.3Å; K634-L638 WeakPolarHBondContact O-CB 3.47Å; K634-L638 WeakPolarHBondContact O-CD1 3.32Å; K634-L638 WeakPolarHBondContact O-CG 3.23Å; K634-L638 PolarHBondContact O-N 3.47Å
635	W	79.4	Confident	81.8	Confident	51 Å²	51	76.3 Å²	76.3	19%	0.193	36%	0.359	C	S	.	.	H	α-helix	trans	-61.3	-44.5	177.6	174.1	87.3	0	0	0	111.4	D386 L631 W632 I633 L638 C639 K692	D386-W635 VanDerWaalsContact OD2-CH2 3.31Å; D386-W635 WeakPolarHBondContact OD2-CH2 3.39Å; D386-W635 WeakPolarHBondContact OD2-CZ3 3.49Å; L631-W635 VanDerWaalsContact O-CB 3.32Å; L631-W635 WeakPolarHBondContact O-CB 3.44Å; L631-W635 PolarHBondContact O-N 3.47Å; W632-W635 PolarHBondContact O-N 2.82Å; W632-W635 VanDerWaalsContact O-N 3.16Å; I633-W635 PolarHBondContact O-N 3.41Å; W635-L638 WeakPolarHBondContact O-CB 3.17Å; W635-L638 PolarHBondContact O-N 3.35Å; W635-C639 PolarHBondContact NE1-SG 3.37Å; W635-C639 WeakPolarHBondContact O-CB 3.28Å; W635-C639 PolarHBondContact O-N 3.49Å; W635-C639 PolarHBondContact O-SG 2.86Å; W635-K692 HydrophobicContact CH2-CG 4.22Å
636	R	79.1	Confident	81.6	Confident	81 Å²	81	75.9 Å²	75.9	31%	0.306	36%	0.356	S	S	.	.	H	α-helix	trans	-62.6	-48.3	179.7	-172	64.6	179.4	-159.7	0.1	111.6	D386 W632 I633 L638 C639 T640	D386-R636 IonicContact OD1-NH1 3.06Å; D386-R636 PolarHBondContact OD1-NH1 2.81Å; D386-R636 IonicContact OD2-NH1 3.59Å; W632-R636 WeakPolarHBondContact O-CB 3.44Å; W632-R636 PolarHBondContact O-N 3.26Å; I633-R636 PolarHBondContact O-N 3.48Å; R636-L638 VanDerWaalsContact C-N 3.3Å; R636-L638 PolarHBondContact O-N 2.87Å; R636-C639 PolarHBondContact O-N 3.43Å; R636-T640 PolarHBondContact O-N 3.31Å; R636-T640 PolarHBondContact O-OG1 2.91Å; R636-T640 VanDerWaalsContact O-OG1 3.09Å
637	L	84.4	Confident	81.3	Confident	115 Å²	115	79.2 Å²	79.2	60%	0.602	37%	0.373	S	S	*	.	H	α-helix	trans	-60.5	-41	175.9	-69.6	174.1	0	0	0	111.6	I633 K641	I633-L637 HydrophobicContact CG2-CD1 3.78Å; I633-L637 HydrophobicContact CG2-CG 4.27Å; I633-L637 WeakPolarHBondContact O-CB 3Å; I633-L637 VanDerWaalsContact O-CG 3.26Å; I633-L637 WeakPolarHBondContact O-CG 3.42Å; I633-L637 PolarHBondContact O-N 2.87Å; L637-K641 VanDerWaalsContact O-CB 3.26Å; L637-K641 WeakPolarHBondContact O-CB 3.29Å; L637-K641 PolarHBondContact O-N 2.89Å
638	L	81.1	Confident	81.1	Confident	60 Å²	60	76.4 Å²	76.4	31%	0.314	37%	0.368	S	S	.	.	H	α-helix	trans	-62.7	-48.2	175.1	-77.8	163.7	0	0	0	111.4	K634 W635 R636 K641 R642	K634-L638 HydrophobicContact CG-CD1 3.79Å; K634-L638 VanDerWaalsContact O-CB 3.3Å; K634-L638 WeakPolarHBondContact O-CB 3.47Å; K634-L638 WeakPolarHBondContact O-CD1 3.32Å; K634-L638 WeakPolarHBondContact O-CG 3.23Å; K634-L638 PolarHBondContact O-N 3.47Å; W635-L638 WeakPolarHBondContact O-CB 3.17Å; W635-L638 PolarHBondContact O-N 3.35Å; R636-L638 VanDerWaalsContact C-N 3.3Å; R636-L638 PolarHBondContact O-N 2.87Å; L638-K641 PolarHBondContact O-N 3.26Å; L638-R642 WeakPolarHBondContact O-CB 3.14Å; L638-R642 WeakPolarHBondContact O-CG 3.31Å; L638-R642 PolarHBondContact O-N 2.98Å
639	C	75.7	Confident	81	Confident	19 Å²	19	70 Å²	70	13%	0.128	34%	0.344	C	S	.	.	H	α-helix	trans	-62.2	-43.9	178.1	-70.3	0	0	0	0	111.8	W635 R636 R642 M643	W635-C639 PolarHBondContact NE1-SG 3.37Å; W635-C639 WeakPolarHBondContact O-CB 3.28Å; W635-C639 PolarHBondContact O-N 3.49Å; W635-C639 PolarHBondContact O-SG 2.86Å; R636-C639 PolarHBondContact O-N 3.43Å; C639-R642 PolarHBondContact O-N 3.43Å; C639-M643 WeakPolarHBondContact O-CB 3.42Å; C639-M643 PolarHBondContact O-N 3.22Å
640	T	78.9	Confident	81	Confident	66 Å²	66	73.8 Å²	73.8	41%	0.405	36%	0.359	S	S	.	.	H	α-helix	trans	-63.8	-46.3	176.4	-59.8	0	0	0	0	111.8	R636 M643 N644	R636-T640 PolarHBondContact O-N 3.31Å; R636-T640 PolarHBondContact O-OG1 2.91Å; R636-T640 VanDerWaalsContact O-OG1 3.09Å; T640-M643 PolarHBondContact O-N 2.92Å; T640-N644 VanDerWaalsContact O-CG 3.31Å; T640-N644 PolarHBondContact O-N 3.32Å; T640-N644 PolarHBondContact O-ND2 3.35Å
641	K	82.3	Confident	80.7	Confident	139 Å²	139	73.1 Å²	73.1	60%	0.604	36%	0.359	S	S	*	.	H	α-helix	trans	-59.7	-50.4	176.2	-176.7	177.9	-179.9	178.1	0	111	L637 L638 M643 N644 D645	L637-K641 VanDerWaalsContact O-CB 3.26Å; L637-K641 WeakPolarHBondContact O-CB 3.29Å; L637-K641 PolarHBondContact O-N 2.89Å; L638-K641 PolarHBondContact O-N 3.26Å; K641-M643 VanDerWaalsContact C-N 3.28Å; K641-M643 PolarHBondContact O-N 3.28Å; K641-N644 WeakPolarHBondContact O-CB 3.45Å; K641-N644 PolarHBondContact O-N 2.85Å; K641-N644 VanDerWaalsContact O-N 3.13Å; K641-D645 VanDerWaalsContact O-CG 3.26Å; K641-D645 PolarHBondContact O-N 3.25Å
642	R	75	Confident	80.3	Confident	85 Å²	85	75.7 Å²	75.7	32%	0.321	37%	0.373	S	S	.	.	H	α-helix	trans	-64.3	-31	-179.5	-73.2	179.5	-169.9	179.6	-5.5	113.2	L638 C639 L705	L638-R642 WeakPolarHBondContact O-CB 3.14Å; L638-R642 WeakPolarHBondContact O-CG 3.31Å; L638-R642 PolarHBondContact O-N 2.98Å; C639-R642 PolarHBondContact O-N 3.43Å; R642-L705 HydrophobicContact CB-CD1 3.96Å; R642-L705 HydrophobicContact CB-CD2 3.73Å; R642-L705 HydrophobicContact CB-CG 4.39Å; R642-L705 HydrophobicContact CG-CD1 4.2Å; R642-L705 HydrophobicContact CG-CD2 4.34Å
643	M	77.9	Confident	80.1	Confident	12 Å²	12	76.3 Å²	76.3	6%	0.059	38%	0.377	C	S	.	.	H	α-helix	trans	-70.8	-39.6	172.9	-176.8	60.8	-179.5	0	0	112	C639 T640 K641 D645 L646 K674 S684 L687 I688 M691	C639-M643 WeakPolarHBondContact O-CB 3.42Å; C639-M643 PolarHBondContact O-N 3.22Å; T640-M643 PolarHBondContact O-N 2.92Å; K641-M643 VanDerWaalsContact C-N 3.28Å; K641-M643 PolarHBondContact O-N 3.28Å; M643-D645 VanDerWaalsContact C-N 3.26Å; M643-D645 PolarHBondContact O-N 3.11Å; M643-L646 WeakPolarHBondContact O-CB 3.43Å; M643-L646 PolarHBondContact O-N 2.84Å; M643-L646 HydrophobicContact SD-CD1 4.01Å; M643-K674 HydrophobicContact CE-CB 4.48Å; M643-K674 HydrophobicContact CE-CD 4.49Å; M643-K674 HydrophobicContact CE-CG 3.57Å; M643-K674 HydrophobicContact SD-CG 4.5Å; M643-S684 VanDerWaalsContact CE-CA 3.47Å; M643-S684 VanDerWaalsContact CE-CB 3.5Å; M643-S684 WeakPolarHBondContact CE-O 3.35Å; M643-L687 HydrophobicContact SD-CD2 4.43Å; M643-I688 HydrophobicContact CE-CD1 3.87Å; M643-I688 HydrophobicContact CE-CG1 3.74Å; M643-I688 HydrophobicContact CG-CD1 4.13Å; M643-I688 HydrophobicContact CG-CG1 3.97Å; M643-I688 HydrophobicContact SD-CD1 4.44Å; M643-I688 HydrophobicContact SD-CG1 3.88Å; M643-M691 HydrophobicContact CB-CE 4.18Å; M643-M691 HydrophobicContact CG-CE 4.42Å; M643-M691 HydrophobicContact SD-CE 3.65Å
644	N	80.6	Confident	80	Confident	116 Å²	116	72.9 Å²	72.9	62%	0.62	36%	0.359	S	S	*	.	H	α-helix	trans	-67.5	-27.7	175.3	-70.9	-19.4	0	0	0	112.4	T640 K641 L646	T640-N644 VanDerWaalsContact O-CG 3.31Å; T640-N644 PolarHBondContact O-N 3.32Å; T640-N644 PolarHBondContact O-ND2 3.35Å; K641-N644 WeakPolarHBondContact O-CB 3.45Å; K641-N644 PolarHBondContact O-N 2.85Å; K641-N644 VanDerWaalsContact O-N 3.13Å; N644-L646 PolarHBondContact O-N 2.86Å
645	D	82.9	Confident	79.6	Confident	89 Å²	89	73.2 Å²	73.2	48%	0.476	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.6	175.1	-64.1	-23	0	0	0	113.2	K641 M643	K641-D645 VanDerWaalsContact O-CG 3.26Å; K641-D645 PolarHBondContact O-N 3.25Å; M643-D645 VanDerWaalsContact C-N 3.26Å; M643-D645 PolarHBondContact O-N 3.11Å
646	L	82	Confident	79.3	Confident	6 Å²	6	80 Å²	80	3%	0.031	39%	0.388	C	S	.	.	S	Bend	trans	-81.4	133.2	176.2	-62.8	175.7	0	0	0	111.2	M643 N644 K674 L687	M643-L646 WeakPolarHBondContact O-CB 3.43Å; M643-L646 PolarHBondContact O-N 2.84Å; M643-L646 HydrophobicContact SD-CD1 4.01Å; N644-L646 PolarHBondContact O-N 2.86Å; L646-K674 HydrophobicContact CB-CB 4.42Å; L646-K674 HydrophobicContact CB-CD 4.12Å; L646-K674 PolarHBondContact O-NZ 2.91Å; L646-L687 HydrophobicContact CD1-CD2 3.55Å
647	V	82	Confident	78.9	Confident	100 Å²	100	79 Å²	79	61%	0.606	39%	0.385	S	S	*	.	B	Isolated β-bridge	trans	-77.6	149	-176.7	-177	0	0	0	0	110.6	I675	V647-I675 HydrophobicContact CB-CG2 3.99Å; V647-I675 WeakPolarHBondContact O-CG2 3.41Å; V647-I675 PolarHBondContact O-N 2.9Å
648	N	82.4	Confident	78.4	Confident	75 Å²	75	75.1 Å²	75.1	40%	0.401	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-82.7	133.5	169.5	-63.9	-4.8	0	0	0	108.9	K674	N648-K674 WeakPolarHBondContact OD1-CD 3.47Å; N648-K674 WeakPolarHBondContact OD1-CE 3.38Å; N648-K674 PolarHBondContact OD1-NZ 3.25Å
649	P	79.9	Confident	78.3	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.006	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-67.2	145.3	178.9	29.7	-34.7	0	0	0	111.6	Q653 A673 L681	P649-Q653 HydrophobicContact CB-CB 4.24Å; P649-A673 WeakPolarHBondContact CD-O 3.47Å; P649-A673 HydrophobicContact CG-CB 3.57Å; P649-L681 HydrophobicContact CB-CD2 3.78Å; P649-L681 HydrophobicContact CG-CD2 3.92Å
650	N	81.6	Confident	78.8	Confident	113 Å²	113	79.3 Å²	79.3	60%	0.604	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-72.4	157.5	167.5	-74.3	-16.2	0	0	0	110.7	L652 Q653 L654	N650-L652 VanDerWaalsContact C-N 3.26Å; N650-L652 PolarHBondContact O-N 2.91Å; N650-Q653 HydrophobicContact CB-CG 4.39Å; N650-Q653 WeakPolarHBondContact O-CA 3.27Å; N650-Q653 WeakPolarHBondContact O-CB 3.35Å; N650-Q653 PolarHBondContact O-N 2.85Å; N650-L654 PolarHBondContact O-N 3.04Å; N650-L654 VanDerWaalsContact O-N 3.07Å
651	K	78	Confident	79.3	Confident	134 Å²	134	76.2 Å²	76.2	58%	0.583	37%	0.374	S	S	*	.	H	α-helix	trans	-50	-44.4	178.1	-168.2	-179	-179.4	-166	0	112.9	Q653 L654 E655 I670	K651-Q653 VanDerWaalsContact C-N 3.32Å; K651-Q653 PolarHBondContact O-N 3.48Å; K651-L654 WeakPolarHBondContact O-CB 3.46Å; K651-L654 PolarHBondContact O-N 3.31Å; K651-E655 VanDerWaalsContact CE-OE1 3.25Å; K651-E655 WeakPolarHBondContact CE-OE1 3.25Å; K651-E655 IonicContact NZ-OE1 3.98Å; K651-E655 WeakPolarHBondContact O-CG 3.46Å; K651-E655 PolarHBondContact O-N 3.38Å; K651-E655 VanDerWaalsContact O-N 3.12Å; K651-I670 HydrophobicContact CB-CD1 3.83Å; K651-I670 HydrophobicContact CG-CD1 4.07Å
652	L	76.7	Confident	79.6	Confident	108 Å²	108	72 Å²	72	57%	0.565	36%	0.361	S	S	*	.	H	α-helix	trans	-64.1	-31.7	176.6	-66.2	174	0	0	0	113.7	N650 R656	N650-L652 VanDerWaalsContact C-N 3.26Å; N650-L652 PolarHBondContact O-N 2.91Å; L652-R656 VanDerWaalsContact O-CB 3.27Å; L652-R656 WeakPolarHBondContact O-CB 3.02Å; L652-R656 WeakPolarHBondContact O-CD 3.37Å; L652-R656 WeakPolarHBondContact O-CG 3.19Å; L652-R656 PolarHBondContact O-N 3.32Å
653	Q	75	Confident	80.2	Confident	48 Å²	48	70.6 Å²	70.6	22%	0.224	36%	0.36	C	S	.	.	H	α-helix	trans	-75.9	-34.8	178.2	-68.8	179.3	-57.2	0	0	111.2	P649 N650 K651 R656 Y657	P649-Q653 HydrophobicContact CB-CB 4.24Å; N650-Q653 HydrophobicContact CB-CG 4.39Å; N650-Q653 WeakPolarHBondContact O-CA 3.27Å; N650-Q653 WeakPolarHBondContact O-CB 3.35Å; N650-Q653 PolarHBondContact O-N 2.85Å; K651-Q653 VanDerWaalsContact C-N 3.32Å; K651-Q653 PolarHBondContact O-N 3.48Å; Q653-R656 PolarHBondContact O-N 3Å; Q653-Y657 HydrophobicContact CB-CD2 4.16Å; Q653-Y657 HydrophobicContact CB-CE2 4.28Å; Q653-Y657 HydrophobicContact CG-CE2 4.42Å; Q653-Y657 WeakPolarHBondContact O-CB 3.44Å; Q653-Y657 WeakPolarHBondContact O-CD2 3.48Å; Q653-Y657 PolarHBondContact O-N 3.31Å
654	L	80.2	Confident	80.8	Confident	11 Å²	11	72.1 Å²	72.1	6%	0.058	37%	0.371	C	S	.	.	H	α-helix	trans	-61.1	-57.2	174.8	-164.2	57.5	0	0	0	109.3	N650 K651 R656 Y657 G658 D659 M668 I670 A673 L681	N650-L654 PolarHBondContact O-N 3.04Å; N650-L654 VanDerWaalsContact O-N 3.07Å; K651-L654 WeakPolarHBondContact O-CB 3.46Å; K651-L654 PolarHBondContact O-N 3.31Å; L654-R656 PolarHBondContact O-N 3.2Å; L654-R656 VanDerWaalsContact O-N 3.11Å; L654-Y657 PolarHBondContact O-N 3.14Å; L654-G658 CarbonylContact O-C 3.56Å; L654-G658 PolarHBondContact O-N 2.94Å; L654-D659 WeakPolarHBondContact CG-OD1 3.45Å; L654-M668 HydrophobicContact CD1-CB 4.1Å; L654-M668 HydrophobicContact CD1-CE 4.14Å; L654-I670 HydrophobicContact CD2-CG1 4.03Å; L654-A673 HydrophobicContact CD1-CB 4.4Å; L654-L681 HydrophobicContact CD1-CD1 4.16Å
655	E	75.9	Confident	81.1	Confident	108 Å²	108	74.2 Å²	74.2	51%	0.505	38%	0.375	S	S	.	.	H	α-helix	trans	-56.5	-33.8	179	-69.7	170.8	-175.6	0	0	112.8	K651 D659	K651-E655 VanDerWaalsContact CE-OE1 3.25Å; K651-E655 WeakPolarHBondContact CE-OE1 3.25Å; K651-E655 IonicContact NZ-OE1 3.98Å; K651-E655 WeakPolarHBondContact O-CG 3.46Å; K651-E655 PolarHBondContact O-N 3.38Å; K651-E655 VanDerWaalsContact O-N 3.12Å; E655-D659 WeakPolarHBondContact CA-OD1 3.2Å; E655-D659 PolarHBondContact N-OD1 2.84Å
656	R	73	Confident	81.4	Confident	195 Å²	195	75.2 Å²	75.2	74%	0.736	38%	0.379	S	S	*	.	H	α-helix	trans	-80	-37.1	-179	-77.9	175.2	-174.1	-166.2	1.2	114.8	L652 Q653 L654	L652-R656 VanDerWaalsContact O-CB 3.27Å; L652-R656 WeakPolarHBondContact O-CB 3.02Å; L652-R656 WeakPolarHBondContact O-CD 3.37Å; L652-R656 WeakPolarHBondContact O-CG 3.19Å; L652-R656 PolarHBondContact O-N 3.32Å; Q653-R656 PolarHBondContact O-N 3Å; L654-R656 PolarHBondContact O-N 3.2Å; L654-R656 VanDerWaalsContact O-N 3.11Å
657	Y	71.8	Confident	81.6	Confident	58 Å²	58	82.1 Å²	82.1	23%	0.227	41%	0.411	C	S	.	.	H	α-helix	trans	-100.3	-4.2	-172.9	-67.2	-58.1	0	0	0	113.5	Q653 L654 R713	Q653-Y657 HydrophobicContact CB-CD2 4.16Å; Q653-Y657 HydrophobicContact CB-CE2 4.28Å; Q653-Y657 HydrophobicContact CG-CE2 4.42Å; Q653-Y657 WeakPolarHBondContact O-CB 3.44Å; Q653-Y657 WeakPolarHBondContact O-CD2 3.48Å; Q653-Y657 PolarHBondContact O-N 3.31Å; L654-Y657 PolarHBondContact O-N 3.14Å; Y657-R713 HydrophobicContact CE1-CB 4.45Å; Y657-R713 HydrophobicContact CE1-CG 4.1Å
658	G	74.2	Confident	81.8	Confident	35 Å²	35	77.8 Å²	77.8	36%	0.361	38%	0.384	S	S	.	.			trans	103.7	128	178.1	0	0	0	0	0	111.8	L654 I660 M668	L654-G658 CarbonylContact O-C 3.56Å; L654-G658 PolarHBondContact O-N 2.94Å; G658-I660 VanDerWaalsContact C-N 3.27Å; G658-I660 PolarHBondContact O-N 3.38Å; G658-M668 VanDerWaalsContact O-CE 3.31Å; G658-M668 WeakPolarHBondContact O-CE 3.31Å
659	D	78.5	Confident	81.9	Confident	64 Å²	64	77.6 Å²	77.6	34%	0.342	39%	0.386	S	S	.	.	S	Bend	trans	-81.5	-5.9	-175.8	-60.5	-9.8	0	0	0	112.6	L654 E655 E667 M668	L654-D659 WeakPolarHBondContact CG-OD1 3.45Å; E655-D659 WeakPolarHBondContact CA-OD1 3.2Å; E655-D659 PolarHBondContact N-OD1 2.84Å; D659-E667 CarbonylContact O-C 3.49Å; D659-E667 WeakPolarHBondContact O-CA 3.44Å; D659-M668 WeakPolarHBondContact O-CB 3.45Å; D659-M668 PolarHBondContact O-N 3.18Å
660	I	85.9	Confident	81.9	Confident	103 Å²	103	81.2 Å²	81.2	53%	0.528	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-97.6	124.7	-174.1	-57.7	169.1	0	0	0	109.8	G658	G658-I660 VanDerWaalsContact C-N 3.27Å; G658-I660 PolarHBondContact O-N 3.38Å
661	C	90.3	Very high	81.9	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	41%	0.41	C	S	.	.			trans	-69	126.2	174.7	-179.2	0	0	0	0	110	I663 F665 I666 M668 H683	C661-I663 PolarHBondContact O-N 3.33Å; C661-I663 VanDerWaalsContact O-N 3.15Å; C661-F665 WeakPolarHBondContact O-CA 3.36Å; C661-F665 PolarHBondContact O-N 3.46Å; C661-I666 PolarHBondContact N-O 3.22Å; C661-M668 HydrophobicContact CB-CG 3.77Å; C661-M668 HydrophobicContact CB-SD 3.82Å; C661-H683 WeakPolarHBondContact CB-ND1 3.46Å
662	P	88.2	Confident	82.2	Confident	50 Å²	50	77.2 Å²	77.2	33%	0.325	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-8.2	-178.9	32	-40.7	0	0	0	113.9	L681 Y682 I699	P662-L681 WeakPolarHBondContact CD-O 3.48Å; P662-Y682 HydrophobicContact CG-CD1 3.62Å; P662-Y682 HydrophobicContact CG-CE1 3.29Å; P662-I699 HydrophobicContact CB-CD1 4.29Å; P662-I699 HydrophobicContact CG-CD1 3.98Å
663	I	87.6	Confident	82.7	Confident	57 Å²	57	72.1 Å²	72.1	29%	0.292	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-50	178.5	-62.5	170.1	0	0	0	110.5	C661 Y682 C686 W690 P698	C661-I663 PolarHBondContact O-N 3.33Å; C661-I663 VanDerWaalsContact O-N 3.15Å; I663-Y682 HydrophobicContact CD1-CD1 3.4Å; I663-Y682 HydrophobicContact CD1-CE1 3.89Å; I663-Y682 HydrophobicContact CD1-CG 4.21Å; I663-Y682 HydrophobicContact CG1-CD1 3.72Å; I663-Y682 HydrophobicContact CG1-CE1 3.96Å; I663-C686 HydrophobicContact CB-CB 3.99Å; I663-C686 HydrophobicContact CD1-CB 3.88Å; I663-C686 HydrophobicContact CG2-CB 4Å; I663-W690 HydrophobicContact CD1-CB 4.16Å; I663-P698 HydrophobicContact CD1-CG 4.21Å; I663-P698 HydrophobicContact CG1-CG 4.44Å
664	C	89.4	Confident	83.3	Confident	43 Å²	43	71.2 Å²	71.2	29%	0.291	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-7.2	-176.4	71.5	0	0	0	0	114.2	I666 H683	C664-I666 HydrophobicContact CB-CD1 4.36Å; C664-I666 PolarHBondContact O-N 2.82Å; C664-H683 PolarHBondContact SG-CE1 3.13Å; C664-H683 PolarHBondContact SG-ND1 3.1Å
665	F	88.1	Confident	83.6	Confident	161 Å²	161	71.6 Å²	71.6	71%	0.706	37%	0.366	S	S	*	.			trans	57.5	27.1	-176.9	-55.6	-85	0	0	0	114.5	C661	C661-F665 WeakPolarHBondContact O-CA 3.36Å; C661-F665 PolarHBondContact O-N 3.46Å
666	I	88.4	Confident	84.1	Confident	109 Å²	109	66.7 Å²	66.7	56%	0.559	34%	0.343	S	S	*	.			trans	-109.1	151	176.6	-60.1	164.6	0	0	0	109.1	C661 C664 H683	C661-I666 PolarHBondContact N-O 3.22Å; C664-I666 HydrophobicContact CB-CD1 4.36Å; C664-I666 PolarHBondContact O-N 2.82Å; I666-H683 PolarHBondContact O-CE1 3.45Å; I666-H683 VanDerWaalsContact O-CE1 3.28Å
667	E	86.6	Confident	84.5	Confident	151 Å²	151	61.2 Å²	61.2	71%	0.706	32%	0.323	S	S	*	.	B	Isolated β-bridge	trans	-59.7	139	174.2	-68.4	177.6	-174.8	0	0	112.4	D659 H683	D659-E667 CarbonylContact O-C 3.49Å; D659-E667 WeakPolarHBondContact O-CA 3.44Å; E667-H683 PolarHBondContact O-CE1 2.63Å; E667-H683 PolarHBondContact O-NE2 3.49Å
668	M	85.2	Confident	85.2	Confident	9 Å²	9	59 Å²	59	4%	0.044	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-98.8	140.6	-180	-66.8	-178.5	-68.7	0	0	109.8	L654 G658 D659 C661 A673 L681 Y682 H683	L654-M668 HydrophobicContact CD1-CB 4.1Å; L654-M668 HydrophobicContact CD1-CE 4.14Å; G658-M668 VanDerWaalsContact O-CE 3.31Å; G658-M668 WeakPolarHBondContact O-CE 3.31Å; D659-M668 WeakPolarHBondContact O-CB 3.45Å; D659-M668 PolarHBondContact O-N 3.18Å; C661-M668 HydrophobicContact CB-CG 3.77Å; C661-M668 HydrophobicContact CB-SD 3.82Å; M668-A673 HydrophobicContact CB-CB 4.16Å; M668-A673 HydrophobicContact SD-CB 4.33Å; M668-L681 HydrophobicContact CE-CB 3.7Å; M668-L681 HydrophobicContact CE-CD1 4.45Å; M668-L681 HydrophobicContact SD-CB 4.18Å; M668-Y682 VanDerWaalsContact SD-CA 3.59Å; M668-H683 WeakPolarHBondContact CA-NE2 3.4Å
669	T	84.8	Confident	85.6	Confident	72 Å²	72	57.3 Å²	57.3	44%	0.442	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-103	156.2	168.6	67.4	0	0	0	0	110.3	T671 T672 A673	T669-T671 PolarHBondContact O-N 2.96Å; T669-T671 VanDerWaalsContact O-N 3.13Å; T669-T671 PolarHBondContact OG1-OG1 3.48Å; T669-T672 PolarHBondContact N-OG1 2.93Å; T669-T672 PolarHBondContact O-N 3.2Å; T669-T672 PolarHBondContact O-OG1 2.87Å; T669-T672 WeakPolarHBondContact OG1-CB 3.23Å; T669-T672 VanDerWaalsContact OG1-CG2 3.26Å; T669-T672 WeakPolarHBondContact OG1-CG2 3.28Å; T669-T672 PolarHBondContact OG1-N 2.85Å; T669-T672 PolarHBondContact OG1-OG1 3.36Å; T669-A673 WeakPolarHBondContact O-CB 3.4Å; T669-A673 PolarHBondContact O-N 3.4Å
670	I	80.4	Confident	86.1	Confident	76 Å²	76	55 Å²	55	39%	0.39	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-37.6	-179.8	-60.8	167.6	0	0	0	112.2	K651 L654	K651-I670 HydrophobicContact CB-CD1 3.83Å; K651-I670 HydrophobicContact CG-CD1 4.07Å; L654-I670 HydrophobicContact CD2-CG1 4.03Å
671	T	81.7	Confident	86.2	Confident	118 Å²	118	50.7 Å²	50.7	72%	0.724	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-29.1	-179.9	49.3	0	0	0	0	112.9	T669	T669-T671 PolarHBondContact O-N 2.96Å; T669-T671 VanDerWaalsContact O-N 3.13Å; T669-T671 PolarHBondContact OG1-OG1 3.48Å
672	T	84.5	Confident	86.2	Confident	46 Å²	46	50.7 Å²	50.7	28%	0.282	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-20.7	-178.6	59.8	0	0	0	0	113.1	T669 H683 S684	T669-T672 PolarHBondContact N-OG1 2.93Å; T669-T672 PolarHBondContact O-N 3.2Å; T669-T672 PolarHBondContact O-OG1 2.87Å; T669-T672 WeakPolarHBondContact OG1-CB 3.23Å; T669-T672 VanDerWaalsContact OG1-CG2 3.26Å; T669-T672 WeakPolarHBondContact OG1-CG2 3.28Å; T669-T672 PolarHBondContact OG1-N 2.85Å; T669-T672 PolarHBondContact OG1-OG1 3.36Å; T672-H683 CarbonylContact O-C 3.54Å; T672-H683 WeakPolarHBondContact O-CA 3.46Å; T672-S684 WeakPolarHBondContact O-CB 3.39Å; T672-S684 PolarHBondContact O-N 2.83Å; T672-S684 PolarHBondContact O-OG 3.26Å
673	A	87.3	Confident	86.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	145.5	-173.5	0	0	0	0	0	112.9	P649 L654 M668 T669 Y682	P649-A673 WeakPolarHBondContact CD-O 3.47Å; P649-A673 HydrophobicContact CG-CB 3.57Å; L654-A673 HydrophobicContact CD1-CB 4.4Å; M668-A673 HydrophobicContact CB-CB 4.16Å; M668-A673 HydrophobicContact SD-CB 4.33Å; T669-A673 WeakPolarHBondContact O-CB 3.4Å; T669-A673 PolarHBondContact O-N 3.4Å; A673-Y682 CarbonylContact C-O 3.37Å; A673-Y682 WeakPolarHBondContact CA-O 3.37Å
674	K	87.3	Confident	86.2	Confident	29 Å²	29	48.4 Å²	48.4	13%	0.126	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.5	168.4	-72.4	-61.8	-165.8	174.1	0	110.3	M643 L646 N648 Y682 L687	M643-K674 HydrophobicContact CE-CB 4.48Å; M643-K674 HydrophobicContact CE-CD 4.49Å; M643-K674 HydrophobicContact CE-CG 3.57Å; M643-K674 HydrophobicContact SD-CG 4.5Å; L646-K674 HydrophobicContact CB-CB 4.42Å; L646-K674 HydrophobicContact CB-CD 4.12Å; L646-K674 PolarHBondContact O-NZ 2.91Å; N648-K674 WeakPolarHBondContact OD1-CD 3.47Å; N648-K674 WeakPolarHBondContact OD1-CE 3.38Å; N648-K674 PolarHBondContact OD1-NZ 3.25Å; K674-Y682 PolarHBondContact N-O 2.79Å; K674-Y682 PolarHBondContact O-N 3.44Å; K674-L687 HydrophobicContact CB-CD2 4.16Å
675	I	86.7	Confident	85.9	Confident	20 Å²	20	51.1 Å²	51.1	10%	0.103	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.2	170	-164.2	170.3	0	0	0	109.9	V647 L681	V647-I675 HydrophobicContact CB-CG2 3.99Å; V647-I675 WeakPolarHBondContact O-CG2 3.41Å; V647-I675 PolarHBondContact O-N 2.9Å; I675-L681 HydrophobicContact CB-CD2 3.72Å; I675-L681 HydrophobicContact CD1-CD2 4.28Å; I675-L681 HydrophobicContact CG1-CD2 3.86Å
676	T	87.2	Confident	85.9	Confident	4 Å²	4	44.1 Å²	44.1	3%	0.025	23%	0.23	C	C	.	.			trans	-77.1	161.5	174.2	66.5	0	0	0	0	110.4	C678 G679 H680 Y682 L687 L704	T676-C678 PolarHBondContact O-N 3.34Å; T676-C678 PolarHBondContact OG1-SG 3.1Å; T676-G679 PolarHBondContact O-N 3.02Å; T676-H680 PolarHBondContact N-O 2.94Å; T676-H680 PolarHBondContact OG1-N 3.45Å; T676-H680 PolarHBondContact OG1-O 3.08Å; T676-H680 VanDerWaalsContact OG1-O 3.11Å; T676-Y682 HydrophobicContact CG2-CD2 3.73Å; T676-Y682 HydrophobicContact CG2-CE2 3.66Å; T676-L687 HydrophobicContact CG2-CD1 4.38Å; T676-L687 HydrophobicContact CG2-CD2 4.08Å; T676-L704 HydrophobicContact CG2-CD2 3.39Å
677	R	81.4	Confident	85.8	Confident	80 Å²	80	39 Å²	39	30%	0.302	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.7	178.2	-66.8	-175	178.8	165.4	3.9	113.6	G679 L705 S706 T707 N711	R677-G679 PolarHBondContact O-N 2.96Å; R677-L705 PolarHBondContact NH1-O 3.33Å; R677-S706 WeakPolarHBondContact CD-O 3.36Å; R677-S706 VanDerWaalsContact NH1-C 3.29Å; R677-S706 PolarHBondContact NH1-O 2.8Å; R677-T707 VanDerWaalsContact NH1-CA 3.33Å; R677-N711 WeakPolarHBondContact O-CA 3.18Å; R677-N711 WeakPolarHBondContact O-CB 3.27Å; R677-N711 PolarHBondContact O-N 3.21Å
678	C	85	Confident	85.5	Confident	12 Å²	12	34.1 Å²	34.1	8%	0.081	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-2.9	171.7	56.5	0	0	0	0	114.1	T676 H680 C700 S702 V709 N711	T676-C678 PolarHBondContact O-N 3.34Å; T676-C678 PolarHBondContact OG1-SG 3.1Å; C678-H680 PolarHBondContact SG-ND1 3.4Å; C678-C700 PolarHBondContact SG-SG 2.99Å; C678-S702 WeakPolarHBondContact CB-OG 3.3Å; C678-S702 PolarHBondContact SG-OG 3.03Å; C678-V709 HydrophobicContact CB-CG1 3.93Å; C678-N711 PolarHBondContact O-OD1 3.01Å
679	G	83.6	Confident	85.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	88.4	14.5	175.8	0	0	0	0	0	115.5	T676 R677 N711	T676-G679 PolarHBondContact O-N 3.02Å; R677-G679 PolarHBondContact O-N 2.96Å; G679-N711 WeakPolarHBondContact CA-ND2 3.17Å
680	H	88.1	Confident	85	Confident	16 Å²	16	38.6 Å²	38.6	7%	0.074	20%	0.195	C	C	.	.			trans	-90.7	146.9	174.9	-66.5	110.3	0	0	0	111.3	T676 C678 Y682 C697 I699 C700 R713	T676-H680 PolarHBondContact N-O 2.94Å; T676-H680 PolarHBondContact OG1-N 3.45Å; T676-H680 PolarHBondContact OG1-O 3.08Å; T676-H680 VanDerWaalsContact OG1-O 3.11Å; C678-H680 PolarHBondContact SG-ND1 3.4Å; H680-Y682 HydrophobicContact CB-CD2 4.47Å; H680-Y682 HydrophobicContact CB-CE2 3.49Å; H680-Y682 VanDerWaalsContact CB-CE2 3.49Å; H680-C697 PolarHBondContact ND1-SG 3Å; H680-I699 HydrophobicContact CB-CD1 4.3Å; H680-I699 WeakPolarHBondContact CD2-CD1 3.41Å; H680-I699 VanDerWaalsContact NE2-CG2 3.33Å; H680-I699 WeakPolarHBondContact NE2-CG2 3.5Å; H680-C700 PolarHBondContact CE1-SG 2.82Å; H680-C700 PolarHBondContact ND1-SG 2.94Å; H680-R713 PolarHBondContact CD2-NH2 3.32Å; H680-R713 PolarHBondContact NE2-NH2 3.26Å
681	L	88.3	Confident	84.9	Confident	11 Å²	11	35.3 Å²	35.3	6%	0.058	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.7	-177.9	-66.1	173.1	0	0	0	111	P649 L654 P662 M668 I675	P649-L681 HydrophobicContact CB-CD2 3.78Å; P649-L681 HydrophobicContact CG-CD2 3.92Å; L654-L681 HydrophobicContact CD1-CD1 4.16Å; P662-L681 WeakPolarHBondContact CD-O 3.48Å; M668-L681 HydrophobicContact CE-CB 3.7Å; M668-L681 HydrophobicContact CE-CD1 4.45Å; M668-L681 HydrophobicContact SD-CB 4.18Å; I675-L681 HydrophobicContact CB-CD2 3.72Å; I675-L681 HydrophobicContact CD1-CD2 4.28Å; I675-L681 HydrophobicContact CG1-CD2 3.86Å
682	Y	89.6	Confident	84.4	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	155.6	177.4	-55.6	-85.6	0	0	0	110.3	P662 I663 M668 A673 K674 T676 H680 L687 C697 P698 I699	P662-Y682 HydrophobicContact CG-CD1 3.62Å; P662-Y682 HydrophobicContact CG-CE1 3.29Å; I663-Y682 HydrophobicContact CD1-CD1 3.4Å; I663-Y682 HydrophobicContact CD1-CE1 3.89Å; I663-Y682 HydrophobicContact CD1-CG 4.21Å; I663-Y682 HydrophobicContact CG1-CD1 3.72Å; I663-Y682 HydrophobicContact CG1-CE1 3.96Å; M668-Y682 VanDerWaalsContact SD-CA 3.59Å; A673-Y682 CarbonylContact C-O 3.37Å; A673-Y682 WeakPolarHBondContact CA-O 3.37Å; K674-Y682 PolarHBondContact N-O 2.79Å; K674-Y682 PolarHBondContact O-N 3.44Å; T676-Y682 HydrophobicContact CG2-CD2 3.73Å; T676-Y682 HydrophobicContact CG2-CE2 3.66Å; H680-Y682 HydrophobicContact CB-CD2 4.47Å; H680-Y682 HydrophobicContact CB-CE2 3.49Å; H680-Y682 VanDerWaalsContact CB-CE2 3.49Å; Y682-L687 HydrophobicContact CD2-CD1 3.8Å; Y682-L687 HydrophobicContact CD2-CD2 4.42Å; Y682-L687 HydrophobicContact CE2-CD1 4.3Å; Y682-L687 HydrophobicContact CG-CD1 4.13Å; Y682-C697 PolarHBondContact OH-SG 3.39Å; Y682-P698 HydrophobicContact CE1-CB 4.27Å; Y682-P698 HydrophobicContact CE1-CG 3.68Å; Y682-P698 WeakPolarHBondContact OH-CD 3.48Å; Y682-I699 WeakPolarHBondContact OH-CD1 3.04Å; Y682-I699 WeakPolarHBondContact OH-CG1 3.04Å
683	H	90	Very high	83.7	Confident	25 Å²	25	34.1 Å²	34.1	12%	0.116	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	143.6	160	-61.8	101.8	0	0	0	109.3	C661 C664 I666 E667 M668 T672 E685 C686 L687	C661-H683 WeakPolarHBondContact CB-ND1 3.46Å; C664-H683 PolarHBondContact SG-CE1 3.13Å; C664-H683 PolarHBondContact SG-ND1 3.1Å; I666-H683 PolarHBondContact O-CE1 3.45Å; I666-H683 VanDerWaalsContact O-CE1 3.28Å; E667-H683 PolarHBondContact O-CE1 2.63Å; E667-H683 PolarHBondContact O-NE2 3.49Å; M668-H683 WeakPolarHBondContact CA-NE2 3.4Å; T672-H683 CarbonylContact O-C 3.54Å; T672-H683 WeakPolarHBondContact O-CA 3.46Å; H683-E685 VanDerWaalsContact C-N 3.28Å; H683-E685 PolarHBondContact O-N 2.98Å; H683-C686 HydrophobicContact CB-CB 4.07Å; H683-C686 PolarHBondContact O-N 3.45Å; H683-L687 WeakPolarHBondContact O-CB 3.48Å; H683-L687 PolarHBondContact O-N 3.24Å
684	S	85.8	Confident	83.2	Confident	35 Å²	35	40.5 Å²	40.5	25%	0.245	19%	0.188	C	C	.	.	H	α-helix	trans	-55.9	-45.2	177.6	45.1	0	0	0	0	111.2	M643 T672 L687 I688	M643-S684 VanDerWaalsContact CE-CA 3.47Å; M643-S684 VanDerWaalsContact CE-CB 3.5Å; M643-S684 WeakPolarHBondContact CE-O 3.35Å; T672-S684 WeakPolarHBondContact O-CB 3.39Å; T672-S684 PolarHBondContact O-N 2.83Å; T672-S684 PolarHBondContact O-OG 3.26Å; S684-L687 PolarHBondContact O-N 3.27Å; S684-I688 WeakPolarHBondContact O-CB 3.17Å; S684-I688 WeakPolarHBondContact O-CD1 3.43Å; S684-I688 WeakPolarHBondContact O-CG1 3.41Å; S684-I688 PolarHBondContact O-N 2.88Å
685	E	83	Confident	82.8	Confident	99 Å²	99	41.8 Å²	41.8	46%	0.463	20%	0.196	S	C	.	.	H	α-helix	trans	-64	-48	176.3	-174	56.5	-146.3	0	0	112	H683 L687 I688 Q689	H683-E685 VanDerWaalsContact C-N 3.28Å; H683-E685 PolarHBondContact O-N 2.98Å; E685-L687 VanDerWaalsContact C-N 3.31Å; E685-L687 PolarHBondContact O-N 3.49Å; E685-I688 PolarHBondContact O-N 3.12Å; E685-Q689 WeakPolarHBondContact O-CB 3.39Å; E685-Q689 WeakPolarHBondContact O-CG 3.33Å; E685-Q689 PolarHBondContact O-N 3.34Å; E685-Q689 PolarHBondContact OE1-NE2 3.43Å
686	C	88.2	Confident	82.7	Confident	15 Å²	15	43.1 Å²	43.1	10%	0.101	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-39.8	178.2	-62.7	0	0	0	0	112.2	I663 H683 Q689 W690	I663-C686 HydrophobicContact CB-CB 3.99Å; I663-C686 HydrophobicContact CD1-CB 3.88Å; I663-C686 HydrophobicContact CG2-CB 4Å; H683-C686 HydrophobicContact CB-CB 4.07Å; H683-C686 PolarHBondContact O-N 3.45Å; C686-Q689 PolarHBondContact O-N 2.64Å; C686-W690 WeakPolarHBondContact O-CB 3.16Å; C686-W690 PolarHBondContact O-N 3.05Å
687	L	86.5	Confident	82.7	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.2	-40.7	177.1	-171.4	60.5	0	0	0	111.8	M643 L646 K674 T676 Y682 H683 S684 E685 Q689 W690 M691 L704	M643-L687 HydrophobicContact SD-CD2 4.43Å; L646-L687 HydrophobicContact CD1-CD2 3.55Å; K674-L687 HydrophobicContact CB-CD2 4.16Å; T676-L687 HydrophobicContact CG2-CD1 4.38Å; T676-L687 HydrophobicContact CG2-CD2 4.08Å; Y682-L687 HydrophobicContact CD2-CD1 3.8Å; Y682-L687 HydrophobicContact CD2-CD2 4.42Å; Y682-L687 HydrophobicContact CE2-CD1 4.3Å; Y682-L687 HydrophobicContact CG-CD1 4.13Å; H683-L687 WeakPolarHBondContact O-CB 3.48Å; H683-L687 PolarHBondContact O-N 3.24Å; S684-L687 PolarHBondContact O-N 3.27Å; E685-L687 VanDerWaalsContact C-N 3.31Å; E685-L687 PolarHBondContact O-N 3.49Å; L687-Q689 VanDerWaalsContact C-N 3.32Å; L687-W690 PolarHBondContact O-N 3.32Å; L687-M691 HydrophobicContact CG-CG 4.47Å; L687-M691 WeakPolarHBondContact O-CB 3.4Å; L687-M691 VanDerWaalsContact O-CG 3.3Å; L687-M691 WeakPolarHBondContact O-CG 3.49Å; L687-M691 PolarHBondContact O-N 3.28Å; L687-L704 HydrophobicContact CD1-CD1 3.92Å; L687-L704 HydrophobicContact CD1-CD2 4.47Å
688	I	81.5	Confident	82.9	Confident	50 Å²	50	41 Å²	41	26%	0.256	20%	0.202	S	C	.	.	H	α-helix	trans	-58.9	-47.5	172.9	-73	162.5	0	0	0	109.6	M643 S684 E685 W690 M691 K692	M643-I688 HydrophobicContact CE-CD1 3.87Å; M643-I688 HydrophobicContact CE-CG1 3.74Å; M643-I688 HydrophobicContact CG-CD1 4.13Å; M643-I688 HydrophobicContact CG-CG1 3.97Å; M643-I688 HydrophobicContact SD-CD1 4.44Å; M643-I688 HydrophobicContact SD-CG1 3.88Å; S684-I688 WeakPolarHBondContact O-CB 3.17Å; S684-I688 WeakPolarHBondContact O-CD1 3.43Å; S684-I688 WeakPolarHBondContact O-CG1 3.41Å; S684-I688 PolarHBondContact O-N 2.88Å; E685-I688 PolarHBondContact O-N 3.12Å; I688-W690 VanDerWaalsContact C-N 3.32Å; I688-W690 PolarHBondContact O-N 3.34Å; I688-M691 HydrophobicContact CG1-CE 4.48Å; I688-M691 PolarHBondContact O-N 3.46Å; I688-K692 WeakPolarHBondContact O-CG 3.45Å; I688-K692 PolarHBondContact O-N 3.35Å
689	Q	77.2	Confident	82.9	Confident	92 Å²	92	44.8 Å²	44.8	43%	0.43	22%	0.22	S	C	.	.	H	α-helix	trans	-60.9	-39.4	178.7	-73	177.9	5.5	0	0	112.9	E685 C686 L687 K692 H693	E685-Q689 WeakPolarHBondContact O-CB 3.39Å; E685-Q689 WeakPolarHBondContact O-CG 3.33Å; E685-Q689 PolarHBondContact O-N 3.34Å; E685-Q689 PolarHBondContact OE1-NE2 3.43Å; C686-Q689 PolarHBondContact O-N 2.64Å; L687-Q689 VanDerWaalsContact C-N 3.32Å; Q689-K692 WeakPolarHBondContact O-CB 3.27Å; Q689-H693 PolarHBondContact O-ND1 3.21Å
690	W	82.3	Confident	83.1	Confident	83 Å²	83	47.6 Å²	47.6	31%	0.314	24%	0.239	S	C	.	.	H	α-helix	trans	-67.1	-46.5	173.4	-179.1	-92.1	0	0	0	112.3	I663 C686 L687 I688 K692 H693 K694 T696 P698	I663-W690 HydrophobicContact CD1-CB 4.16Å; C686-W690 WeakPolarHBondContact O-CB 3.16Å; C686-W690 PolarHBondContact O-N 3.05Å; L687-W690 PolarHBondContact O-N 3.32Å; I688-W690 VanDerWaalsContact C-N 3.32Å; I688-W690 PolarHBondContact O-N 3.34Å; W690-K692 PolarHBondContact O-N 3.44Å; W690-H693 PolarHBondContact O-N 2.87Å; W690-K694 PolarHBondContact NE1-O 3.43Å; W690-K694 PolarHBondContact O-N 3.35Å; W690-T696 PolarHBondContact NE1-O 2.82Å; W690-P698 HydrophobicContact CD2-CB 4.28Å; W690-P698 HydrophobicContact CD2-CG 3.64Å; W690-P698 HydrophobicContact CE3-CG 4.22Å; W690-P698 HydrophobicContact CG-CG 3.8Å; W690-P698 HydrophobicContact CH2-CB 4.19Å; W690-P698 HydrophobicContact CZ2-CB 3.93Å; W690-P698 HydrophobicContact CZ2-CG 4.05Å; W690-P698 HydrophobicContact CZ3-CB 4.48Å
691	M	78.2	Confident	83	Confident	7 Å²	7	54.1 Å²	54.1	3%	0.034	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-24	179	-76.1	-164.2	-54.5	0	0	113.5	M643 L687 I688 H693 K694 L695 L704 L705	M643-M691 HydrophobicContact CB-CE 4.18Å; M643-M691 HydrophobicContact CG-CE 4.42Å; M643-M691 HydrophobicContact SD-CE 3.65Å; L687-M691 HydrophobicContact CG-CG 4.47Å; L687-M691 WeakPolarHBondContact O-CB 3.4Å; L687-M691 VanDerWaalsContact O-CG 3.3Å; L687-M691 WeakPolarHBondContact O-CG 3.49Å; L687-M691 PolarHBondContact O-N 3.28Å; I688-M691 HydrophobicContact CG1-CE 4.48Å; I688-M691 PolarHBondContact O-N 3.46Å; M691-H693 PolarHBondContact O-N 3.16Å; M691-K694 WeakPolarHBondContact CA-O 3.36Å; M691-L695 HydrophobicContact CB-CD2 4.22Å; M691-L695 HydrophobicContact CG-CD2 4.45Å; M691-L704 HydrophobicContact CG-CD1 3.77Å; M691-L704 HydrophobicContact SD-CD1 4.28Å; M691-L705 HydrophobicContact SD-CD1 4.34Å
692	K	70.3	Confident	82.8	Confident	35 Å²	35	54.8 Å²	54.8	15%	0.152	28%	0.275	C	S	.	.	H	α-helix	trans	-55.6	-41.8	169	-71.4	172.1	170.8	-169	0	111	N383 D386 W635 I688 Q689 W690	N383-K692 PolarHBondContact OD1-O 3.39Å; D386-K692 HydrophobicContact CB-CD 3.74Å; D386-K692 HydrophobicContact CB-CG 4.34Å; D386-K692 VanDerWaalsContact CG-CE 3.49Å; D386-K692 PolarHBondContact O-NZ 3.1Å; D386-K692 VanDerWaalsContact O-NZ 3.16Å; D386-K692 WeakPolarHBondContact OD1-CE 3.2Å; D386-K692 IonicContact OD1-NZ 3.35Å; D386-K692 PolarHBondContact OD1-NZ 3.42Å; W635-K692 HydrophobicContact CH2-CG 4.22Å; I688-K692 WeakPolarHBondContact O-CG 3.45Å; I688-K692 PolarHBondContact O-N 3.35Å; Q689-K692 WeakPolarHBondContact O-CB 3.27Å; W690-K692 PolarHBondContact O-N 3.44Å
693	H	70.9	Confident	82.3	Confident	104 Å²	104	58.2 Å²	58.2	48%	0.481	29%	0.294	S	S	.	.	H	α-helix	trans	-88.9	-49	-176.8	-62.6	85.8	0	0	0	112.7	D387 Q689 W690 M691	D387-H693 IonicContact OD2-NE2 3.98Å; Q689-H693 PolarHBondContact O-ND1 3.21Å; W690-H693 PolarHBondContact O-N 2.87Å; M691-H693 PolarHBondContact O-N 3.16Å
694	K	75.9	Confident	81.5	Confident	133 Å²	133	57 Å²	57	58%	0.578	29%	0.288	S	S	*	.			trans	-142.8	132.7	-176.9	-66.5	-174.1	-179.5	179.5	0	111.2	W690 M691 T696	W690-K694 PolarHBondContact NE1-O 3.43Å; W690-K694 PolarHBondContact O-N 3.35Å; M691-K694 WeakPolarHBondContact CA-O 3.36Å; K694-T696 PolarHBondContact O-N 3.04Å; K694-T696 VanDerWaalsContact O-N 3.16Å
695	L	78.4	Confident	80.6	Confident	57 Å²	57	56.6 Å²	56.6	30%	0.298	28%	0.283	S	S	.	.	S	Bend	trans	-80.8	18.3	175.1	-59.7	177.7	0	0	0	113.5	M691 L704 L705	M691-L695 HydrophobicContact CB-CD2 4.22Å; M691-L695 HydrophobicContact CG-CD2 4.45Å; L695-L704 PolarHBondContact O-N 2.77Å; L695-L705 HydrophobicContact CD2-CD1 3.99Å
696	T	84.6	Confident	80.2	Confident	48 Å²	48	53.3 Å²	53.3	29%	0.294	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-105	154.6	179.4	54.7	0	0	0	0	110.7	W690 K694 Q701 S702 L704	W690-T696 PolarHBondContact NE1-O 2.82Å; K694-T696 PolarHBondContact O-N 3.04Å; K694-T696 VanDerWaalsContact O-N 3.16Å; T696-Q701 WeakPolarHBondContact CB-O 3.26Å; T696-Q701 WeakPolarHBondContact CG2-O 3.22Å; T696-S702 CarbonylContact C-O 3.47Å; T696-S702 WeakPolarHBondContact CA-O 3.32Å; T696-L704 WeakPolarHBondContact O-CD1 3.41Å
697	C	87.6	Confident	79.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.301	C	S	.	.			trans	-69.7	131.8	177.2	178.1	0	0	0	0	110.1	H680 Y682 I699 C700 Q701 S702 L704	H680-C697 PolarHBondContact ND1-SG 3Å; Y682-C697 PolarHBondContact OH-SG 3.39Å; C697-I699 PolarHBondContact O-N 3.36Å; C697-I699 VanDerWaalsContact O-N 3.11Å; C697-C700 WeakPolarHBondContact CB-SG 3.44Å; C697-Q701 WeakPolarHBondContact O-CA 3.21Å; C697-Q701 PolarHBondContact O-N 2.92Å; C697-S702 PolarHBondContact N-O 2.94Å; C697-L704 HydrophobicContact CB-CD2 3.65Å; C697-L704 HydrophobicContact CB-CG 4.22Å
698	P	86.3	Confident	78.2	Confident	40 Å²	40	69.1 Å²	69.1	26%	0.26	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.3	176.8	-21.9	24.2	0	0	0	114.1	I663 Y682 W690	I663-P698 HydrophobicContact CD1-CG 4.21Å; I663-P698 HydrophobicContact CG1-CG 4.44Å; Y682-P698 HydrophobicContact CE1-CB 4.27Å; Y682-P698 HydrophobicContact CE1-CG 3.68Å; Y682-P698 WeakPolarHBondContact OH-CD 3.48Å; W690-P698 HydrophobicContact CD2-CB 4.28Å; W690-P698 HydrophobicContact CD2-CG 3.64Å; W690-P698 HydrophobicContact CE3-CG 4.22Å; W690-P698 HydrophobicContact CG-CG 3.8Å; W690-P698 HydrophobicContact CH2-CB 4.19Å; W690-P698 HydrophobicContact CZ2-CB 3.93Å; W690-P698 HydrophobicContact CZ2-CG 4.05Å; W690-P698 HydrophobicContact CZ3-CB 4.48Å
699	I	85.8	Confident	77.3	Confident	91 Å²	91	68.4 Å²	68.4	47%	0.467	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-55.4	-174.4	-63.8	169	0	0	0	111.3	P662 H680 Y682 C697	P662-I699 HydrophobicContact CB-CD1 4.29Å; P662-I699 HydrophobicContact CG-CD1 3.98Å; H680-I699 HydrophobicContact CB-CD1 4.3Å; H680-I699 WeakPolarHBondContact CD2-CD1 3.41Å; H680-I699 VanDerWaalsContact NE2-CG2 3.33Å; H680-I699 WeakPolarHBondContact NE2-CG2 3.5Å; Y682-I699 WeakPolarHBondContact OH-CD1 3.04Å; Y682-I699 WeakPolarHBondContact OH-CG1 3.04Å; C697-I699 PolarHBondContact O-N 3.36Å; C697-I699 VanDerWaalsContact O-N 3.11Å
700	C	87.7	Confident	76.5	Confident	59 Å²	59	68 Å²	68	40%	0.399	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-0.2	-172.5	58.7	0	0	0	0	114.6	C678 H680 C697 S702	C678-C700 PolarHBondContact SG-SG 2.99Å; H680-C700 PolarHBondContact CE1-SG 2.82Å; H680-C700 PolarHBondContact ND1-SG 2.94Å; C697-C700 WeakPolarHBondContact CB-SG 3.44Å; C700-S702 PolarHBondContact O-N 3.06Å; C700-S702 PolarHBondContact SG-OG 3.34Å
701	Q	85.5	Confident	75.6	Confident	153 Å²	153	65 Å²	65	72%	0.715	33%	0.334	S	S	*	.			trans	56.7	2.6	-176.5	-55.7	-179.2	8.2	0	0	115.5	T696 C697	T696-Q701 WeakPolarHBondContact CB-O 3.26Å; T696-Q701 WeakPolarHBondContact CG2-O 3.22Å; C697-Q701 WeakPolarHBondContact O-CA 3.21Å; C697-Q701 PolarHBondContact O-N 2.92Å
702	S	82.9	Confident	74.6	Confident	25 Å²	25	71.7 Å²	71.7	18%	0.175	37%	0.365	C	S	.	.			trans	-59.9	142.1	173.1	66.1	0	0	0	0	109.7	C678 T696 C697 C700 L704	C678-S702 WeakPolarHBondContact CB-OG 3.3Å; C678-S702 PolarHBondContact SG-OG 3.03Å; T696-S702 CarbonylContact C-O 3.47Å; T696-S702 WeakPolarHBondContact CA-O 3.32Å; C697-S702 PolarHBondContact N-O 2.94Å; C700-S702 PolarHBondContact O-N 3.06Å; C700-S702 PolarHBondContact SG-OG 3.34Å; S702-L704 PolarHBondContact O-N 3.42Å
703	D	79.6	Confident	73.8	Confident	72 Å²	72	74 Å²	74	39%	0.385	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-54.5	118.6	170.1	-177.9	-9.7	0	0	0	109.2	L705 S706	D703-L705 PolarHBondContact O-N 3.13Å; D703-L705 PolarHBondContact OD1-N 3Å; D703-S706 PolarHBondContact OD1-N 2.97Å; D703-S706 WeakPolarHBondContact OD2-CB 3.33Å
704	L	73.5	Confident	72.9	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	38%	0.379	C	S	.	.	S	Bend	trans	-60.2	-20.1	-178.2	-74.5	168.6	0	0	0	112	T676 L687 M691 L695 T696 C697 S702	T676-L704 HydrophobicContact CG2-CD2 3.39Å; L687-L704 HydrophobicContact CD1-CD1 3.92Å; L687-L704 HydrophobicContact CD1-CD2 4.47Å; M691-L704 HydrophobicContact CG-CD1 3.77Å; M691-L704 HydrophobicContact SD-CD1 4.28Å; L695-L704 PolarHBondContact O-N 2.77Å; T696-L704 WeakPolarHBondContact O-CD1 3.41Å; C697-L704 HydrophobicContact CB-CD2 3.65Å; C697-L704 HydrophobicContact CB-CG 4.22Å; S702-L704 PolarHBondContact O-N 3.42Å
705	L	66.9	Low	71.7	Confident	25 Å²	25	75.7 Å²	75.7	13%	0.131	38%	0.376	C	S	.	.	S	Bend	trans	-125.1	-8.1	-162.4	-58.2	166.6	0	0	0	112.9	R642 R677 M691 L695 D703 T707	R642-L705 HydrophobicContact CB-CD1 3.96Å; R642-L705 HydrophobicContact CB-CD2 3.73Å; R642-L705 HydrophobicContact CB-CG 4.39Å; R642-L705 HydrophobicContact CG-CD1 4.2Å; R642-L705 HydrophobicContact CG-CD2 4.34Å; R677-L705 PolarHBondContact NH1-O 3.33Å; M691-L705 HydrophobicContact SD-CD1 4.34Å; L695-L705 HydrophobicContact CD2-CD1 3.99Å; D703-L705 PolarHBondContact O-N 3.13Å; D703-L705 PolarHBondContact OD1-N 3Å; L705-T707 PolarHBondContact O-N 3.06Å
706	S	74.3	Confident	70.5	Confident	31 Å²	31	77.2 Å²	77.2	22%	0.217	39%	0.387	C	S	.	.			trans	-63.8	131.7	170.2	174.9	0	0	0	0	110.1	R677 D703 R708	R677-S706 WeakPolarHBondContact CD-O 3.36Å; R677-S706 VanDerWaalsContact NH1-C 3.29Å; R677-S706 PolarHBondContact NH1-O 2.8Å; D703-S706 PolarHBondContact OD1-N 2.97Å; D703-S706 WeakPolarHBondContact OD2-CB 3.33Å; S706-R708 PolarHBondContact O-N 3.5Å; S706-R708 WeakPolarHBondContact OG-CB 3.35Å; S706-R708 PolarHBondContact OG-N 3.19Å; S706-R708 VanDerWaalsContact OG-N 3.14Å
707	T	66.6	Low	68.8	Low	119 Å²	119	77.1 Å²	77.1	73%	0.73	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-13.4	171.9	45.6	0	0	0	0	112.2	R677 L705 V709	R677-T707 VanDerWaalsContact NH1-CA 3.33Å; L705-T707 PolarHBondContact O-N 3.06Å; T707-V709 VanDerWaalsContact C-N 3.33Å
708	R	66	Low	67	Low	227 Å²	227	82 Å²	82	86%	0.857	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-12.5	-179.5	-56.9	-176.9	-177.4	-177.8	-0.2	113.2	S706 T710	S706-R708 PolarHBondContact O-N 3.5Å; S706-R708 WeakPolarHBondContact OG-CB 3.35Å; S706-R708 PolarHBondContact OG-N 3.19Å; S706-R708 VanDerWaalsContact OG-N 3.14Å; R708-T710 PolarHBondContact O-N 3.01Å
709	V	63.2	Low	65.2	Low	35 Å²	35	81.6 Å²	81.6	21%	0.212	42%	0.417	C	S	.	.			trans	-82.6	101.5	177.5	178.4	0	0	0	0	107.6	C678 T707	C678-V709 HydrophobicContact CB-CG1 3.93Å; T707-V709 VanDerWaalsContact C-N 3.33Å
710	T	60.2	Low	63.4	Low	85 Å²	85	82.5 Å²	82.5	52%	0.521	42%	0.419	S	S	.	.			trans	-76.4	147.8	168.7	56	0	0	0	0	109.7	R708 Q712 E715	R708-T710 PolarHBondContact O-N 3.01Å; T710-Q712 PolarHBondContact O-N 3.21Å; T710-E715 PolarHBondContact OG1-OE1 3.33Å; T710-E715 VanDerWaalsContact OG1-OE1 3.06Å
711	N	62.8	Low	61.5	Low	20 Å²	20	84.2 Å²	84.2	11%	0.107	42%	0.423	C	S	.	.			trans	-71	96.7	173.7	-175.8	-10.3	0	0	0	108.5	R677 C678 G679 R713 R714 E715	R677-N711 WeakPolarHBondContact O-CA 3.18Å; R677-N711 WeakPolarHBondContact O-CB 3.27Å; R677-N711 PolarHBondContact O-N 3.21Å; C678-N711 PolarHBondContact O-OD1 3.01Å; G679-N711 WeakPolarHBondContact CA-ND2 3.17Å; N711-R713 PolarHBondContact O-N 3.47Å; N711-R713 VanDerWaalsContact O-N 3.14Å; N711-R713 VanDerWaalsContact OD1-CA 3.29Å; N711-R713 WeakPolarHBondContact OD1-CA 3.38Å; N711-R713 WeakPolarHBondContact OD1-CB 3.26Å; N711-R713 PolarHBondContact OD1-N 3.16Å; N711-R714 HydrophobicContact CB-CB 4.07Å; N711-R714 HydrophobicContact CB-CG 4.26Å; N711-R714 WeakPolarHBondContact O-CB 3.47Å; N711-R714 PolarHBondContact O-N 3.39Å; N711-R714 PolarHBondContact OD1-N 3.34Å; N711-E715 PolarHBondContact O-N 2.86Å
712	Q	57.7	Low	59.4	Low	147 Å²	147	82.6 Å²	82.6	69%	0.687	42%	0.416	S	S	*	.	H	α-helix	trans	-56.4	-28.6	174.3	-71.2	-178.5	-13.8	0	0	111.9	T710 R714 E715 V716	T710-Q712 PolarHBondContact O-N 3.21Å; Q712-R714 VanDerWaalsContact C-N 3.3Å; Q712-R714 PolarHBondContact O-N 3Å; Q712-E715 PolarHBondContact O-N 3.24Å; Q712-E715 VanDerWaalsContact O-N 3.16Å; Q712-V716 WeakPolarHBondContact O-CG2 3.46Å; Q712-V716 PolarHBondContact O-N 3.19Å
713	R	53.5	Low	57.7	Low	83 Å²	83	88.2 Å²	88.2	31%	0.313	44%	0.439	S	S	.	.	H	α-helix	trans	-67.1	-27.8	174.9	-121.9	-174	-93.5	-159.3	-15.5	112.8	Y657 H680 N711 T717	Y657-R713 HydrophobicContact CE1-CB 4.45Å; Y657-R713 HydrophobicContact CE1-CG 4.1Å; H680-R713 PolarHBondContact CD2-NH2 3.32Å; H680-R713 PolarHBondContact NE2-NH2 3.26Å; N711-R713 PolarHBondContact O-N 3.47Å; N711-R713 VanDerWaalsContact O-N 3.14Å; N711-R713 VanDerWaalsContact OD1-CA 3.29Å; N711-R713 WeakPolarHBondContact OD1-CA 3.38Å; N711-R713 WeakPolarHBondContact OD1-CB 3.26Å; N711-R713 PolarHBondContact OD1-N 3.16Å; R713-T717 PolarHBondContact O-N 3.43Å; R713-T717 PolarHBondContact O-OG1 3.17Å
714	R	50.9	Low	56.4	Low	160 Å²	160	90 Å²	90	60%	0.604	45%	0.453	S	S	*	.	H	α-helix	trans	-72.5	-36.9	169.2	-93.6	-176.8	177.3	171	-1.5	112	N711 Q712 T717 N718	N711-R714 HydrophobicContact CB-CB 4.07Å; N711-R714 HydrophobicContact CB-CG 4.26Å; N711-R714 WeakPolarHBondContact O-CB 3.47Å; N711-R714 PolarHBondContact O-N 3.39Å; N711-R714 PolarHBondContact OD1-N 3.34Å; Q712-R714 VanDerWaalsContact C-N 3.3Å; Q712-R714 PolarHBondContact O-N 3Å; R714-T717 WeakPolarHBondContact CA-OG1 3.43Å; R714-T717 PolarHBondContact O-OG1 3.42Å; R714-N718 WeakPolarHBondContact O-CB 3.43Å; R714-N718 PolarHBondContact O-N 3.04Å
715	E	51.9	Low	55.3	Low	113 Å²	113	96.7 Å²	96.7	53%	0.528	49%	0.487	S	S	.	.	H	α-helix	trans	-68.7	-43	178.6	-70.2	169.2	-163.1	0	0	111	T710 N711 Q712 N718 G719	T710-E715 PolarHBondContact OG1-OE1 3.33Å; T710-E715 VanDerWaalsContact OG1-OE1 3.06Å; N711-E715 PolarHBondContact O-N 2.86Å; Q712-E715 PolarHBondContact O-N 3.24Å; Q712-E715 VanDerWaalsContact O-N 3.16Å; E715-N718 PolarHBondContact O-N 3.07Å; E715-G719 PolarHBondContact O-N 3.44Å
716	V	52.7	Low	54	Low	88 Å²	88	104.9 Å²	104.9	53%	0.533	53%	0.525	S	S	.	.	H	α-helix	trans	-65.8	-39.1	174.7	178.3	0	0	0	0	112	Q712 G719 Q720	Q712-V716 WeakPolarHBondContact O-CG2 3.46Å; Q712-V716 PolarHBondContact O-N 3.19Å; V716-G719 PolarHBondContact O-N 2.97Å; V716-Q720 HydrophobicContact CG1-CG 4.47Å; V716-Q720 WeakPolarHBondContact O-CB 3.3Å; V716-Q720 WeakPolarHBondContact O-CG 3.12Å; V716-Q720 PolarHBondContact O-N 3.28Å
717	T	49.4	Very low	53	Low	47 Å²	47	108.6 Å²	108.6	29%	0.288	54%	0.54	S	S	.	.	H	α-helix	trans	-74.2	-34.8	177.8	37.8	0	0	0	0	113.3	R713 R714 G719 Q720 L721	R713-T717 PolarHBondContact O-N 3.43Å; R713-T717 PolarHBondContact O-OG1 3.17Å; R714-T717 WeakPolarHBondContact CA-OG1 3.43Å; R714-T717 PolarHBondContact O-OG1 3.42Å; T717-G719 VanDerWaalsContact C-N 3.32Å; T717-Q720 PolarHBondContact O-N 3.4Å; T717-L721 WeakPolarHBondContact O-CB 3.44Å; T717-L721 WeakPolarHBondContact O-CG 3.41Å; T717-L721 PolarHBondContact O-N 3.03Å
718	N	49.9	Very low	52.3	Low	101 Å²	101	108.1 Å²	108.1	54%	0.54	53%	0.53	S	S	.	.	H	α-helix	trans	-66.4	-37	169.5	-78.5	0.1	0	0	0	110.9	R714 E715 L721 Q722	R714-N718 WeakPolarHBondContact O-CB 3.43Å; R714-N718 PolarHBondContact O-N 3.04Å; E715-N718 PolarHBondContact O-N 3.07Å; N718-L721 PolarHBondContact O-N 3.3Å; N718-Q722 WeakPolarHBondContact O-CB 3.3Å; N718-Q722 PolarHBondContact O-N 3.48Å
719	G	48.3	Very low	51.5	Low	33 Å²	33	101.4 Å²	101.4	34%	0.34	51%	0.512	S	S	.	.	H	α-helix	trans	-62.8	-45.8	172.3	0	0	0	0	0	113.1	E715 V716 T717 Q722 E723	E715-G719 PolarHBondContact O-N 3.44Å; V716-G719 PolarHBondContact O-N 2.97Å; T717-G719 VanDerWaalsContact C-N 3.32Å; G719-Q722 WeakPolarHBondContact O-CB 3.15Å; G719-Q722 PolarHBondContact O-N 2.98Å; G719-Q722 VanDerWaalsContact O-N 3.16Å; G719-E723 PolarHBondContact O-N 3.28Å
720	Q	47.8	Very low	50.8	Low	110 Å²	110	105.4 Å²	105.4	51%	0.514	53%	0.53	S	S	.	.	H	α-helix	trans	-68.5	-32.3	176.3	-75.1	179.1	-24.2	0	0	113.1	V716 T717 T724	V716-Q720 HydrophobicContact CG1-CG 4.47Å; V716-Q720 WeakPolarHBondContact O-CB 3.3Å; V716-Q720 WeakPolarHBondContact O-CG 3.12Å; V716-Q720 PolarHBondContact O-N 3.28Å; T717-Q720 PolarHBondContact O-N 3.4Å; Q720-T724 WeakPolarHBondContact O-CB 3.43Å; Q720-T724 WeakPolarHBondContact O-CG2 3.36Å; Q720-T724 PolarHBondContact O-N 2.93Å; Q720-T724 PolarHBondContact O-OG1 3.37Å
721	L	46.8	Very low	50.2	Low	94 Å²	94	106.6 Å²	106.6	49%	0.492	53%	0.531	S	S	.	.	H	α-helix	trans	-68.4	-37.8	169.8	-84.8	160.2	0	0	0	110.9	T717 N718 T724 I725	T717-L721 WeakPolarHBondContact O-CB 3.44Å; T717-L721 WeakPolarHBondContact O-CG 3.41Å; T717-L721 PolarHBondContact O-N 3.03Å; N718-L721 PolarHBondContact O-N 3.3Å; L721-T724 WeakPolarHBondContact CA-OG1 3.37Å; L721-T724 PolarHBondContact O-N 3.07Å; L721-T724 PolarHBondContact O-OG1 3.2Å; L721-I725 VanDerWaalsContact O-CB 3.29Å; L721-I725 WeakPolarHBondContact O-CB 3.43Å; L721-I725 VanDerWaalsContact O-CD1 3.27Å; L721-I725 WeakPolarHBondContact O-CD1 3.4Å; L721-I725 WeakPolarHBondContact O-CG1 3.31Å; L721-I725 PolarHBondContact O-N 2.78Å
722	Q	42.5	Very low	49.4	Very low	119 Å²	119	112.4 Å²	112.4	56%	0.556	56%	0.559	S	S	*	*	H	α-helix	trans	-64.3	-44.9	173.6	-145.3	110.5	-5	0	0	110.9	N718 G719 T724 I725 E726	N718-Q722 WeakPolarHBondContact O-CB 3.3Å; N718-Q722 PolarHBondContact O-N 3.48Å; G719-Q722 WeakPolarHBondContact O-CB 3.15Å; G719-Q722 PolarHBondContact O-N 2.98Å; G719-Q722 VanDerWaalsContact O-N 3.16Å; Q722-T724 VanDerWaalsContact C-N 3.29Å; Q722-T724 PolarHBondContact O-N 3.03Å; Q722-I725 PolarHBondContact O-N 2.81Å; Q722-E726 WeakPolarHBondContact O-CB 3.31Å; Q722-E726 WeakPolarHBondContact O-CG 3.47Å; Q722-E726 PolarHBondContact O-N 3.1Å
723	E	48.1	Very low	48.8	Very low	144 Å²	144	109.9 Å²	109.9	67%	0.673	55%	0.55	S	S	*	.	H	α-helix	trans	-69.8	-16.5	176.5	-76.2	-179.6	169	0	0	114.8	G719	G719-E723 PolarHBondContact O-N 3.28Å
724	T	50.3	Low	48.4	Very low	109 Å²	109	112 Å²	112	67%	0.669	57%	0.568	S	S	*	*	H	α-helix	trans	-97.4	-12.5	172.8	45.6	0	0	0	0	112.8	Q720 L721 Q722	Q720-T724 WeakPolarHBondContact O-CB 3.43Å; Q720-T724 WeakPolarHBondContact O-CG2 3.36Å; Q720-T724 PolarHBondContact O-N 2.93Å; Q720-T724 PolarHBondContact O-OG1 3.37Å; L721-T724 WeakPolarHBondContact CA-OG1 3.37Å; L721-T724 PolarHBondContact O-N 3.07Å; L721-T724 PolarHBondContact O-OG1 3.2Å; Q722-T724 VanDerWaalsContact C-N 3.29Å; Q722-T724 PolarHBondContact O-N 3.03Å
725	I	51.2	Low	48.2	Very low	141 Å²	141	108 Å²	108	72%	0.723	57%	0.565	S	S	*	*	H	α-helix	trans	-94.7	-35.7	173.9	-69.1	166.9	0	0	0	110.7	L721 Q722	L721-I725 VanDerWaalsContact O-CB 3.29Å; L721-I725 WeakPolarHBondContact O-CB 3.43Å; L721-I725 VanDerWaalsContact O-CD1 3.27Å; L721-I725 WeakPolarHBondContact O-CD1 3.4Å; L721-I725 WeakPolarHBondContact O-CG1 3.31Å; L721-I725 PolarHBondContact O-N 2.78Å; Q722-I725 PolarHBondContact O-N 2.81Å
726	E	39.9	Very low	47.9	Very low	197 Å²	197	107.5 Å²	107.5	92%	0.921	57%	0.568	S	S	*	*			trans	-71.8	0	163.4	-68.8	-179.7	-172.4	0	0	110.9	Q722	Q722-E726 WeakPolarHBondContact O-CB 3.31Å; Q722-E726 WeakPolarHBondContact O-CG 3.47Å; Q722-E726 PolarHBondContact O-N 3.1Å

Retrieved 726 of 726 residues in 510.1 ms (Link to these results)

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