A0A093H5Y9_STRCA Loading...

Transmembrane protein 168

AlphaFold DB , UniProt , Accession A0A093H5Y9, Species STRCA (Struthio camelus australis), Gene n/a, Length 700 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	30.5	Very low	38	Very low	194 Å²	194	120.7 Å²	120.7	96%	0.956	61%	0.606	S	S	*	*				0	-54.3	0	-87.4	164.2	69.1	0	0	113.7	R3 S4 L5	M1-R3 VanDerWaalsContact C-N 3.3Å; M1-R3 PolarHBondContact O-N 3.05Å; M1-S4 PolarHBondContact O-N 2.94Å; M1-L5 PolarHBondContact O-N 3.09Å
2	C	32.6	Very low	38.7	Very low	109 Å²	109	117.8 Å²	117.8	74%	0.736	60%	0.603	S	S	*	*	H	α-helix	trans	-60.5	-28.6	-176.4	-56.5	0	0	0	0	115.6	R6	C2-R6 WeakPolarHBondContact O-CB 3.45Å; C2-R6 PolarHBondContact O-N 3.33Å
3	R	31.9	Very low	39.5	Very low	192 Å²	192	113 Å²	113	73%	0.725	58%	0.58	S	S	*	*	H	α-helix	trans	-70.6	-32.1	174.1	-79.7	-175.4	178	-179.5	-1.8	113.8	M1 Y7	M1-R3 VanDerWaalsContact C-N 3.3Å; M1-R3 PolarHBondContact O-N 3.05Å; R3-Y7 VanDerWaalsContact O-CB 3.31Å; R3-Y7 WeakPolarHBondContact O-CB 3.45Å; R3-Y7 PolarHBondContact O-N 2.85Å
4	S	31.9	Very low	40.3	Very low	88 Å²	88	115.9 Å²	115.9	62%	0.615	58%	0.581	S	S	*	*	H	α-helix	trans	-75.9	-37.7	179.3	-169.4	0	0	0	0	111.6	M1 Y7 C8	M1-S4 PolarHBondContact O-N 2.94Å; S4-Y7 PolarHBondContact O-N 3.13Å; S4-C8 WeakPolarHBondContact O-CB 3.21Å; S4-C8 PolarHBondContact O-N 3.27Å
5	L	35.7	Very low	41	Very low	116 Å²	116	111.1 Å²	111.1	61%	0.607	57%	0.567	S	S	*	*	H	α-helix	trans	-65.1	-44.2	170.6	-99.3	148.9	0	0	0	111	M1 Y7 C8 V9	M1-L5 PolarHBondContact O-N 3.09Å; L5-Y7 VanDerWaalsContact C-N 3.31Å; L5-Y7 PolarHBondContact O-N 2.71Å; L5-C8 PolarHBondContact O-N 3.25Å; L5-V9 VanDerWaalsContact O-CB 3.23Å; L5-V9 WeakPolarHBondContact O-CB 3.38Å; L5-V9 WeakPolarHBondContact O-CG2 3.3Å; L5-V9 PolarHBondContact O-N 3.32Å
6	R	39.3	Very low	41.5	Very low	170 Å²	170	107.5 Å²	107.5	64%	0.642	56%	0.559	S	S	*	*	H	α-helix	trans	-57.9	-42.7	172	-113.8	-178.1	-178.7	173.5	1.6	112.3	C2 S10	C2-R6 WeakPolarHBondContact O-CB 3.45Å; C2-R6 PolarHBondContact O-N 3.33Å; R6-S10 WeakPolarHBondContact O-CB 2.86Å; R6-S10 PolarHBondContact O-N 3.19Å; R6-S10 PolarHBondContact O-OG 2.87Å
7	Y	39.7	Very low	41.9	Very low	160 Å²	160	105.5 Å²	105.5	63%	0.627	55%	0.547	S	S	*	.	H	α-helix	trans	-70.3	-42.2	-178.7	-159.1	-97.7	0	0	0	112	R3 S4 L5 S10 H11	R3-Y7 VanDerWaalsContact O-CB 3.31Å; R3-Y7 WeakPolarHBondContact O-CB 3.45Å; R3-Y7 PolarHBondContact O-N 2.85Å; S4-Y7 PolarHBondContact O-N 3.13Å; L5-Y7 VanDerWaalsContact C-N 3.31Å; L5-Y7 PolarHBondContact O-N 2.71Å; Y7-S10 PolarHBondContact O-OG 2.87Å; Y7-S10 VanDerWaalsContact O-OG 3.13Å; Y7-H11 WeakPolarHBondContact O-CB 3.19Å; Y7-H11 PolarHBondContact O-N 3.15Å
8	C	37.2	Very low	42.4	Very low	78 Å²	78	102 Å²	102	53%	0.527	53%	0.531	S	S	.	.	H	α-helix	trans	-69.8	-43.6	178.6	-161	0	0	0	0	111.5	S4 L5 H11 C12	S4-C8 WeakPolarHBondContact O-CB 3.21Å; S4-C8 PolarHBondContact O-N 3.27Å; L5-C8 PolarHBondContact O-N 3.25Å; C8-H11 PolarHBondContact O-N 3.16Å; C8-C12 WeakPolarHBondContact O-CB 3.46Å; C8-C12 PolarHBondContact O-N 2.86Å; C8-C12 PolarHBondContact O-SG 3.38Å; C8-C12 VanDerWaalsContact O-SG 3.4Å
9	V	47.1	Very low	43.1	Very low	65 Å²	65	106.9 Å²	106.9	39%	0.394	54%	0.542	S	S	.	.	H	α-helix	trans	-65.1	-41.3	174.5	174.7	0	0	0	0	110.9	L5 H11 L13	L5-V9 VanDerWaalsContact O-CB 3.23Å; L5-V9 WeakPolarHBondContact O-CB 3.38Å; L5-V9 WeakPolarHBondContact O-CG2 3.3Å; L5-V9 PolarHBondContact O-N 3.32Å; V9-H11 PolarHBondContact O-N 3.34Å; V9-L13 HydrophobicContact CG1-CD1 3.76Å; V9-L13 VanDerWaalsContact O-CB 3.24Å; V9-L13 WeakPolarHBondContact O-CB 3.41Å; V9-L13 PolarHBondContact O-N 3.08Å
10	S	43.5	Very low	43.4	Very low	49 Å²	49	104.4 Å²	104.4	34%	0.343	53%	0.53	S	S	.	.	H	α-helix	trans	-67.4	-35.6	176.1	79	0	0	0	0	112.1	R6 Y7 Y14	R6-S10 WeakPolarHBondContact O-CB 2.86Å; R6-S10 PolarHBondContact O-N 3.19Å; R6-S10 PolarHBondContact O-OG 2.87Å; Y7-S10 PolarHBondContact O-OG 2.87Å; Y7-S10 VanDerWaalsContact O-OG 3.13Å; S10-Y14 WeakPolarHBondContact O-CB 3.29Å; S10-Y14 PolarHBondContact O-N 3.29Å
11	H	48.9	Very low	43.7	Very low	107 Å²	107	105.6 Å²	105.6	50%	0.495	53%	0.533	S	S	.	.	H	α-helix	trans	-77.1	-35.9	-179.3	-145.7	-64.3	0	0	0	112.2	Y7 C8 V9 A15	Y7-H11 WeakPolarHBondContact O-CB 3.19Å; Y7-H11 PolarHBondContact O-N 3.15Å; C8-H11 PolarHBondContact O-N 3.16Å; V9-H11 PolarHBondContact O-N 3.34Å; H11-A15 WeakPolarHBondContact O-CB 3.39Å; H11-A15 PolarHBondContact O-N 3.14Å
12	C	45.6	Very low	44.8	Very low	85 Å²	85	104 Å²	104	57%	0.574	52%	0.524	S	S	*	.	H	α-helix	trans	-68	-41.5	170.8	-73.3	0	0	0	0	111.6	C8 A16	C8-C12 WeakPolarHBondContact O-CB 3.46Å; C8-C12 PolarHBondContact O-N 2.86Å; C8-C12 PolarHBondContact O-SG 3.38Å; C8-C12 VanDerWaalsContact O-SG 3.4Å; C12-A16 WeakPolarHBondContact O-CB 3.34Å; C12-A16 PolarHBondContact O-N 3.12Å
13	L	49.4	Very low	45.6	Very low	56 Å²	56	102 Å²	102	29%	0.293	52%	0.515	S	S	.	.	H	α-helix	trans	-67.1	-42.2	173.7	-86.1	160.7	0	0	0	111.6	V9 A15 A16 M17 Y245	V9-L13 HydrophobicContact CG1-CD1 3.76Å; V9-L13 VanDerWaalsContact O-CB 3.24Å; V9-L13 WeakPolarHBondContact O-CB 3.41Å; V9-L13 PolarHBondContact O-N 3.08Å; L13-A15 PolarHBondContact O-N 3.32Å; L13-A16 CarbonylContact O-C 3.57Å; L13-A16 PolarHBondContact O-N 3.02Å; L13-M17 WeakPolarHBondContact O-CB 3.3Å; L13-M17 PolarHBondContact O-N 3.24Å; L13-Y245 HydrophobicContact CD1-CE1 3.8Å; L13-Y245 WeakPolarHBondContact CD1-OH 3.49Å
14	Y	50.5	Low	46.4	Very low	154 Å²	154	96 Å²	96	60%	0.604	50%	0.497	S	S	*	.	H	α-helix	trans	-65.6	-37.9	177	-171.6	-98.6	0	0	0	111.8	S10 M17 T18	S10-Y14 WeakPolarHBondContact O-CB 3.29Å; S10-Y14 PolarHBondContact O-N 3.29Å; Y14-M17 PolarHBondContact O-N 3.33Å; Y14-T18 HydrophobicContact CD1-CG2 4.11Å; Y14-T18 HydrophobicContact CE1-CG2 3.79Å; Y14-T18 WeakPolarHBondContact O-CB 3.29Å; Y14-T18 WeakPolarHBondContact O-CG2 3.24Å; Y14-T18 PolarHBondContact O-N 2.96Å; Y14-T18 PolarHBondContact O-OG1 3Å
15	A	51.9	Low	47.3	Very low	44 Å²	44	103.5 Å²	103.5	36%	0.364	51%	0.512	S	S	.	.	H	α-helix	trans	-66.7	-36.2	172.2	0	0	0	0	0	112.5	H11 L13 T18 R19	H11-A15 WeakPolarHBondContact O-CB 3.39Å; H11-A15 PolarHBondContact O-N 3.14Å; L13-A15 PolarHBondContact O-N 3.32Å; A15-T18 WeakPolarHBondContact CA-OG1 3.5Å; A15-T18 PolarHBondContact O-OG1 2.83Å; A15-T18 VanDerWaalsContact O-OG1 3.12Å; A15-R19 WeakPolarHBondContact O-CB 3.3Å; A15-R19 WeakPolarHBondContact O-CG 3.45Å; A15-R19 PolarHBondContact O-N 3.41Å
16	A	49	Very low	47.8	Very low	53 Å²	53	104.3 Å²	104.3	44%	0.438	51%	0.513	S	S	.	.	H	α-helix	trans	-70.6	-39	172.7	0	0	0	0	0	111.7	C12 L13 R19 L20	C12-A16 WeakPolarHBondContact O-CB 3.34Å; C12-A16 PolarHBondContact O-N 3.12Å; L13-A16 CarbonylContact O-C 3.57Å; L13-A16 PolarHBondContact O-N 3.02Å; A16-R19 PolarHBondContact O-N 3.48Å; A16-L20 WeakPolarHBondContact O-CB 3.37Å; A16-L20 PolarHBondContact O-N 3.17Å
17	M	48.4	Very low	48.5	Very low	74 Å²	74	102.7 Å²	102.7	37%	0.365	52%	0.521	S	S	.	.	H	α-helix	trans	-69.1	-42.8	-179.2	-154.3	174	170	0	0	110.7	L13 Y14 L20 E21	L13-M17 WeakPolarHBondContact O-CB 3.3Å; L13-M17 PolarHBondContact O-N 3.24Å; Y14-M17 PolarHBondContact O-N 3.33Å; M17-L20 CarbonylContact O-C 3.58Å; M17-L20 PolarHBondContact O-N 3.46Å; M17-E21 VanDerWaalsContact O-CB 3.23Å; M17-E21 WeakPolarHBondContact O-CB 3.25Å; M17-E21 PolarHBondContact O-N 3.25Å
18	T	51	Low	49.5	Very low	42 Å²	42	99.8 Å²	99.8	26%	0.258	52%	0.517	S	S	.	.	H	α-helix	trans	-65.6	-40.2	173.7	45	0	0	0	0	112.3	Y14 A15 L20 E21 E22	Y14-T18 HydrophobicContact CD1-CG2 4.11Å; Y14-T18 HydrophobicContact CE1-CG2 3.79Å; Y14-T18 WeakPolarHBondContact O-CB 3.29Å; Y14-T18 WeakPolarHBondContact O-CG2 3.24Å; Y14-T18 PolarHBondContact O-N 2.96Å; Y14-T18 PolarHBondContact O-OG1 3Å; A15-T18 WeakPolarHBondContact CA-OG1 3.5Å; A15-T18 PolarHBondContact O-OG1 2.83Å; A15-T18 VanDerWaalsContact O-OG1 3.12Å; T18-L20 VanDerWaalsContact C-N 3.31Å; T18-L20 PolarHBondContact O-N 2.84Å; T18-E21 PolarHBondContact O-N 2.84Å; T18-E22 WeakPolarHBondContact O-CG 3.43Å; T18-E22 PolarHBondContact O-N 3.32Å
19	R	54.4	Low	50.6	Low	195 Å²	195	99.1 Å²	99.1	74%	0.736	51%	0.507	S	S	*	.	H	α-helix	trans	-66	-31.1	171.4	-77.7	-169.6	175.7	-162	-0	113.4	A15 A16 A23	A15-R19 WeakPolarHBondContact O-CB 3.3Å; A15-R19 WeakPolarHBondContact O-CG 3.45Å; A15-R19 PolarHBondContact O-N 3.41Å; A16-R19 PolarHBondContact O-N 3.48Å; R19-A23 PolarHBondContact O-N 3.28Å
20	L	49.5	Very low	51.6	Low	56 Å²	56	101.6 Å²	101.6	29%	0.293	51%	0.514	S	S	.	.	H	α-helix	trans	-77.1	-33.1	174.8	-150.5	86.5	0	0	0	111.5	A16 M17 T18 A23 N24 M29 I143	A16-L20 WeakPolarHBondContact O-CB 3.37Å; A16-L20 PolarHBondContact O-N 3.17Å; M17-L20 CarbonylContact O-C 3.58Å; M17-L20 PolarHBondContact O-N 3.46Å; T18-L20 VanDerWaalsContact C-N 3.31Å; T18-L20 PolarHBondContact O-N 2.84Å; L20-A23 CarbonylContact O-C 3.58Å; L20-A23 WeakPolarHBondContact O-CA 3.44Å; L20-A23 WeakPolarHBondContact O-CB 3.25Å; L20-A23 PolarHBondContact O-N 3.21Å; L20-N24 WeakPolarHBondContact O-CB 3.35Å; L20-N24 PolarHBondContact O-N 3.17Å; L20-M29 HydrophobicContact CD2-CE 4.33Å; L20-M29 HydrophobicContact CG-CE 4.24Å; L20-I143 HydrophobicContact CD2-CG2 4.14Å
21	E	49.4	Very low	52.8	Low	130 Å²	130	101.4 Å²	101.4	61%	0.607	51%	0.512	S	S	*	.	H	α-helix	trans	-68.9	-36.3	175.8	-159	165	-159.8	0	0	111.2	M17 T18 A23 N24	M17-E21 VanDerWaalsContact O-CB 3.23Å; M17-E21 WeakPolarHBondContact O-CB 3.25Å; M17-E21 PolarHBondContact O-N 3.25Å; T18-E21 PolarHBondContact O-N 2.84Å; E21-A23 VanDerWaalsContact C-N 3.32Å; E21-N24 WeakPolarHBondContact O-CB 3.44Å; E21-N24 PolarHBondContact O-N 3.5Å
22	E	53.7	Low	54	Low	162 Å²	162	99.6 Å²	99.6	76%	0.757	51%	0.512	S	S	*	.	H	α-helix	trans	-67.9	-29.4	168.3	-75.2	174.7	173.1	0	0	112.7	T18 N24	T18-E22 WeakPolarHBondContact O-CG 3.43Å; T18-E22 PolarHBondContact O-N 3.32Å; E22-N24 VanDerWaalsContact C-N 3.3Å
23	A	49.8	Very low	55.6	Low	67 Å²	67	96.1 Å²	96.1	55%	0.554	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.8	171.8	0	0	0	0	0	113.6	R19 L20 E21 R25	R19-A23 PolarHBondContact O-N 3.28Å; L20-A23 CarbonylContact O-C 3.58Å; L20-A23 WeakPolarHBondContact O-CA 3.44Å; L20-A23 WeakPolarHBondContact O-CB 3.25Å; L20-A23 PolarHBondContact O-N 3.21Å; E21-A23 VanDerWaalsContact C-N 3.32Å; A23-R25 VanDerWaalsContact C-N 3.28Å; A23-R25 PolarHBondContact O-N 3.46Å
24	N	48.2	Very low	56.9	Low	65 Å²	65	100.5 Å²	100.5	35%	0.348	50%	0.501	S	S	.	.			trans	-86.5	19.9	-164.6	-134.7	5.8	0	0	0	114.4	L20 E21 E22 E26	L20-N24 WeakPolarHBondContact O-CB 3.35Å; L20-N24 PolarHBondContact O-N 3.17Å; E21-N24 WeakPolarHBondContact O-CB 3.44Å; E21-N24 PolarHBondContact O-N 3.5Å; E22-N24 VanDerWaalsContact C-N 3.3Å; N24-E26 VanDerWaalsContact C-N 3.25Å; N24-E26 PolarHBondContact O-N 3.25Å
25	R	51	Low	58.4	Low	245 Å²	245	101.1 Å²	101.1	93%	0.925	50%	0.503	S	S	*	.			trans	-82.7	7.9	-178	-114.3	-177.2	-178.4	-176.9	1.1	114.7	A23	A23-R25 VanDerWaalsContact C-N 3.28Å; A23-R25 PolarHBondContact O-N 3.46Å
26	E	46.7	Very low	59.8	Low	133 Å²	133	101.2 Å²	101.2	62%	0.621	50%	0.497	S	S	*	.			trans	-122.7	129.9	-179.6	-69.3	-168.4	179.8	0	0	113.8	N24 N28 M29	N24-E26 VanDerWaalsContact C-N 3.25Å; N24-E26 PolarHBondContact O-N 3.25Å; E26-N28 HydrophobicContact CB-CB 4.4Å; E26-N28 PolarHBondContact O-N 3.15Å; E26-N28 PolarHBondContact OE2-ND2 3.12Å; E26-M29 PolarHBondContact O-N 3.45Å
27	V	53.2	Low	61.4	Low	136 Å²	136	99.8 Å²	99.8	82%	0.824	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-9.7	172.4	177.7	0	0	0	0	113.7	S31	V27-S31 PolarHBondContact O-OG 2.94Å
28	N	60.5	Low	63	Low	99 Å²	99	101.6 Å²	101.6	53%	0.529	49%	0.491	S	S	.	.	H	α-helix	trans	-74.2	-26.8	-177.3	-76.6	-30.3	0	0	0	115.4	E26 S31 S32	E26-N28 HydrophobicContact CB-CB 4.4Å; E26-N28 PolarHBondContact O-N 3.15Å; E26-N28 PolarHBondContact OE2-ND2 3.12Å; N28-S31 PolarHBondContact O-OG 3.27Å; N28-S32 WeakPolarHBondContact O-CB 3.39Å; N28-S32 PolarHBondContact O-N 3.01Å; N28-S32 PolarHBondContact O-OG 3.37Å
29	M	61.6	Low	64.8	Low	65 Å²	65	104 Å²	104	32%	0.32	50%	0.502	S	S	.	.	H	α-helix	trans	-76	-44.6	-174.9	-161.7	102.6	80.1	0	0	111.8	L20 E26 S31 S32 V33	L20-M29 HydrophobicContact CD2-CE 4.33Å; L20-M29 HydrophobicContact CG-CE 4.24Å; E26-M29 PolarHBondContact O-N 3.45Å; M29-S31 VanDerWaalsContact C-N 3.32Å; M29-S31 PolarHBondContact O-N 3.03Å; M29-S32 PolarHBondContact O-N 2.87Å; M29-V33 WeakPolarHBondContact O-CG2 3.46Å; M29-V33 PolarHBondContact O-N 2.87Å
30	H	66.8	Low	66.3	Low	117 Å²	117	95.2 Å²	95.2	54%	0.542	47%	0.47	S	S	.	.	H	α-helix	trans	-66	-34.3	-179.4	-167.5	-77.7	0	0	0	112.2	R34	H30-R34 WeakPolarHBondContact O-CB 3.33Å; H30-R34 PolarHBondContact O-N 3.39Å
31	S	69.1	Low	68	Low	45 Å²	45	97 Å²	97	32%	0.315	47%	0.473	S	S	.	.	H	α-helix	trans	-68	-44.8	172.6	57.2	0	0	0	0	111.2	V27 N28 M29 V33 R34 Y35	V27-S31 PolarHBondContact O-OG 2.94Å; N28-S31 PolarHBondContact O-OG 3.27Å; M29-S31 VanDerWaalsContact C-N 3.32Å; M29-S31 PolarHBondContact O-N 3.03Å; S31-V33 PolarHBondContact O-N 2.89Å; S31-R34 WeakPolarHBondContact O-CB 3.43Å; S31-R34 PolarHBondContact O-N 3.23Å; S31-Y35 WeakPolarHBondContact O-CD2 3.41Å; S31-Y35 PolarHBondContact O-N 2.92Å
32	S	75.1	Confident	69.9	Low	69 Å²	69	95.7 Å²	95.7	48%	0.483	47%	0.469	S	S	.	.	H	α-helix	trans	-60.8	-43.2	178.3	-61.1	0	0	0	0	113	N28 M29 R34 Y35 L36	N28-S32 WeakPolarHBondContact O-CB 3.39Å; N28-S32 PolarHBondContact O-N 3.01Å; N28-S32 PolarHBondContact O-OG 3.37Å; M29-S32 PolarHBondContact O-N 2.87Å; S32-R34 VanDerWaalsContact C-N 3.33Å; S32-R34 PolarHBondContact O-N 3.16Å; S32-Y35 PolarHBondContact O-N 2.96Å; S32-L36 PolarHBondContact O-N 2.8Å
33	V	78.1	Confident	71.7	Confident	12 Å²	12	89.1 Å²	89.1	7%	0.073	44%	0.44	C	S	.	.	H	α-helix	trans	-63.2	-40.6	175.7	174.5	0	0	0	0	111.1	M29 S31 Y35 L36 G37 V140 E141	M29-V33 WeakPolarHBondContact O-CG2 3.46Å; M29-V33 PolarHBondContact O-N 2.87Å; S31-V33 PolarHBondContact O-N 2.89Å; V33-Y35 PolarHBondContact O-N 3.47Å; V33-L36 WeakPolarHBondContact O-CB 3.41Å; V33-L36 PolarHBondContact O-N 2.95Å; V33-G37 PolarHBondContact O-N 2.85Å; V33-G37 VanDerWaalsContact O-N 3.08Å; V33-V140 HydrophobicContact CG2-CG1 3.65Å; V33-E141 HydrophobicContact CG1-CB 4.4Å; V33-E141 HydrophobicContact CG1-CG 3.3Å
34	R	77.9	Confident	73.6	Confident	148 Å²	148	87.2 Å²	87.2	56%	0.558	42%	0.42	S	S	*	.	H	α-helix	trans	-63.2	-40.7	175.7	-160.1	-177.7	-175.1	160.3	4.9	112.2	H30 S31 S32 L36 G37 Y38	H30-R34 WeakPolarHBondContact O-CB 3.33Å; H30-R34 PolarHBondContact O-N 3.39Å; S31-R34 WeakPolarHBondContact O-CB 3.43Å; S31-R34 PolarHBondContact O-N 3.23Å; S32-R34 VanDerWaalsContact C-N 3.33Å; S32-R34 PolarHBondContact O-N 3.16Å; R34-L36 VanDerWaalsContact C-N 3.35Å; R34-G37 PolarHBondContact O-N 2.89Å; R34-Y38 HydrophobicContact CG-CD2 4.3Å; R34-Y38 HydrophobicContact CG-CE2 3.63Å; R34-Y38 PolarHBondContact NE-OH 3.37Å; R34-Y38 WeakPolarHBondContact O-CD2 3.45Å; R34-Y38 PolarHBondContact O-N 2.95Å
35	Y	80.4	Confident	75.6	Confident	167 Å²	167	86.8 Å²	86.8	66%	0.655	42%	0.417	S	S	*	.	H	α-helix	trans	-64.2	-37.6	174.5	-75.6	-65.9	0	0	0	112.6	S31 S32 V33 G37 Y38 L39	S31-Y35 WeakPolarHBondContact O-CD2 3.41Å; S31-Y35 PolarHBondContact O-N 2.92Å; S32-Y35 PolarHBondContact O-N 2.96Å; V33-Y35 PolarHBondContact O-N 3.47Å; Y35-G37 VanDerWaalsContact C-N 3.34Å; Y35-G37 PolarHBondContact O-N 3.29Å; Y35-Y38 PolarHBondContact O-N 2.93Å; Y35-L39 WeakPolarHBondContact O-CB 3.42Å; Y35-L39 PolarHBondContact O-N 3.1Å
36	L	81.9	Confident	77.5	Confident	46 Å²	46	78.6 Å²	78.6	24%	0.241	39%	0.394	C	S	.	.	H	α-helix	trans	-62.4	-41.6	174.7	-173.6	64.8	0	0	0	111.6	S32 V33 R34 L39 A40 L133 C137	S32-L36 PolarHBondContact O-N 2.8Å; V33-L36 WeakPolarHBondContact O-CB 3.41Å; V33-L36 PolarHBondContact O-N 2.95Å; R34-L36 VanDerWaalsContact C-N 3.35Å; L36-L39 PolarHBondContact O-N 3.32Å; L36-A40 PolarHBondContact O-N 3Å; L36-L133 HydrophobicContact CD1-CD2 4.01Å; L36-C137 HydrophobicContact CD2-CB 3.94Å; L36-C137 HydrophobicContact CG-CB 4.05Å
37	G	82	Confident	79.7	Confident	22 Å²	22	72.3 Å²	72.3	23%	0.227	37%	0.365	C	S	.	.	H	α-helix	trans	-62.3	-41.9	173.7	0	0	0	0	0	113.2	V33 R34 Y35 A40 R41	V33-G37 PolarHBondContact O-N 2.85Å; V33-G37 VanDerWaalsContact O-N 3.08Å; R34-G37 PolarHBondContact O-N 2.89Å; Y35-G37 VanDerWaalsContact C-N 3.34Å; Y35-G37 PolarHBondContact O-N 3.29Å; G37-A40 PolarHBondContact O-N 3.42Å; G37-R41 PolarHBondContact O-N 3.38Å
38	Y	83.8	Confident	81.5	Confident	113 Å²	113	65.9 Å²	65.9	44%	0.443	33%	0.326	S	S	.	.	H	α-helix	trans	-65	-42.4	174	-68.5	-47.8	0	0	0	112.4	R34 Y35 A40 R41 I42	R34-Y38 HydrophobicContact CG-CD2 4.3Å; R34-Y38 HydrophobicContact CG-CE2 3.63Å; R34-Y38 PolarHBondContact NE-OH 3.37Å; R34-Y38 WeakPolarHBondContact O-CD2 3.45Å; R34-Y38 PolarHBondContact O-N 2.95Å; Y35-Y38 PolarHBondContact O-N 2.93Å; Y38-A40 VanDerWaalsContact C-N 3.31Å; Y38-A40 PolarHBondContact O-N 3.43Å; Y38-R41 PolarHBondContact O-N 3.02Å; Y38-I42 WeakPolarHBondContact O-CG1 3.44Å; Y38-I42 PolarHBondContact O-N 3.37Å
39	L	87.1	Confident	82.8	Confident	93 Å²	93	63.3 Å²	63.3	49%	0.487	32%	0.315	S	S	.	.	H	α-helix	trans	-59.2	-43.5	176.8	-177.6	66.8	0	0	0	111.2	Y35 L36 R41 I42 N43 L133	Y35-L39 WeakPolarHBondContact O-CB 3.42Å; Y35-L39 PolarHBondContact O-N 3.1Å; L36-L39 PolarHBondContact O-N 3.32Å; L39-R41 VanDerWaalsContact C-N 3.35Å; L39-R41 PolarHBondContact O-N 3.49Å; L39-I42 PolarHBondContact O-N 3.45Å; L39-N43 VanDerWaalsContact O-CB 3.24Å; L39-N43 WeakPolarHBondContact O-CB 3.39Å; L39-N43 PolarHBondContact O-N 3.31Å; L39-L133 HydrophobicContact CD2-CD2 4.49Å; L39-L133 HydrophobicContact CG-CD1 4.43Å
40	A	86.1	Confident	84.2	Confident	9 Å²	9	63 Å²	63	7%	0.074	31%	0.314	C	S	.	.	H	α-helix	trans	-59.6	-43.8	176.7	0	0	0	0	0	112	L36 G37 Y38 L44 L133	L36-A40 PolarHBondContact O-N 3Å; G37-A40 PolarHBondContact O-N 3.42Å; Y38-A40 VanDerWaalsContact C-N 3.31Å; Y38-A40 PolarHBondContact O-N 3.43Å; A40-L44 WeakPolarHBondContact O-CB 3.43Å; A40-L44 PolarHBondContact O-N 3.41Å; A40-L133 HydrophobicContact CB-CB 4Å
41	R	85.9	Confident	85.3	Confident	93 Å²	93	57.4 Å²	57.4	35%	0.351	29%	0.288	S	S	.	.	H	α-helix	trans	-68.1	-40.6	177.5	-75.9	-171	173.2	-117	-4.2	113	G37 Y38 L39 L44 L45 N96	G37-R41 PolarHBondContact O-N 3.38Å; Y38-R41 PolarHBondContact O-N 3.02Å; L39-R41 VanDerWaalsContact C-N 3.35Å; L39-R41 PolarHBondContact O-N 3.49Å; R41-L44 PolarHBondContact O-N 2.92Å; R41-L45 PolarHBondContact O-N 3.39Å; R41-N96 PolarHBondContact NH1-OD1 2.88Å; R41-N96 PolarHBondContact NH2-OD1 3.45Å; R41-N96 VanDerWaalsContact NH2-OD1 3.16Å
42	I	88.3	Confident	86.2	Confident	103 Å²	103	55.7 Å²	55.7	53%	0.528	28%	0.275	S	S	.	.	H	α-helix	trans	-65	-46.1	176.5	-68.9	168.6	0	0	0	110.1	Y38 L39 L44 L45 V46	Y38-I42 WeakPolarHBondContact O-CG1 3.44Å; Y38-I42 PolarHBondContact O-N 3.37Å; L39-I42 PolarHBondContact O-N 3.45Å; I42-L44 VanDerWaalsContact C-N 3.3Å; I42-L44 PolarHBondContact O-N 3.13Å; I42-L45 WeakPolarHBondContact O-CB 3.45Å; I42-L45 PolarHBondContact O-N 2.97Å; I42-L45 VanDerWaalsContact O-N 3.13Å; I42-V46 HydrophobicContact CG2-CG2 4.41Å; I42-V46 WeakPolarHBondContact O-CG2 3.4Å; I42-V46 PolarHBondContact O-N 3.47Å
43	N	91.9	Very high	86.8	Confident	25 Å²	25	56.9 Å²	56.9	13%	0.134	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-42.4	177.5	-177	67.9	0	0	0	111.6	L39 V46 A47 L126 S129 A130 L133	L39-N43 VanDerWaalsContact O-CB 3.24Å; L39-N43 WeakPolarHBondContact O-CB 3.39Å; L39-N43 PolarHBondContact O-N 3.31Å; N43-V46 PolarHBondContact O-N 2.93Å; N43-A47 WeakPolarHBondContact O-CB 3.38Å; N43-A47 PolarHBondContact O-N 3.44Å; N43-L126 PolarHBondContact ND2-O 3.46Å; N43-L126 VanDerWaalsContact OD1-CD2 3.3Å; N43-L126 WeakPolarHBondContact OD1-CD2 3.43Å; N43-S129 PolarHBondContact ND2-OG 3.43Å; N43-A130 WeakPolarHBondContact ND2-CA 3.01Å; N43-A130 PolarHBondContact ND2-N 3.43Å; N43-A130 VanDerWaalsContact ND2-N 3.16Å; N43-L133 HydrophobicContact CB-CD1 4.37Å
44	L	90.1	Very high	87.3	Confident	27 Å²	27	56.3 Å²	56.3	14%	0.141	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-43.7	173.8	-178.9	62.2	0	0	0	112.2	A40 R41 I42 A47 I48 F99 L127 A130	A40-L44 WeakPolarHBondContact O-CB 3.43Å; A40-L44 PolarHBondContact O-N 3.41Å; R41-L44 PolarHBondContact O-N 2.92Å; I42-L44 VanDerWaalsContact C-N 3.3Å; I42-L44 PolarHBondContact O-N 3.13Å; L44-A47 WeakPolarHBondContact O-CB 3.38Å; L44-A47 PolarHBondContact O-N 2.9Å; L44-I48 HydrophobicContact CD1-CD1 4.04Å; L44-I48 HydrophobicContact CD1-CG1 4.33Å; L44-I48 HydrophobicContact CG-CD1 3.88Å; L44-I48 VanDerWaalsContact O-CG1 3.28Å; L44-I48 WeakPolarHBondContact O-CG1 3.24Å; L44-I48 PolarHBondContact O-N 3.26Å; L44-F99 HydrophobicContact CD2-CD1 4.48Å; L44-L127 HydrophobicContact CD1-CD2 4.12Å; L44-A130 HydrophobicContact CB-CB 4.25Å; L44-A130 HydrophobicContact CD1-CB 4.35Å
45	L	90	Very high	87.7	Confident	55 Å²	55	49.3 Å²	49.3	29%	0.288	24%	0.24	S	C	.	.	H	α-helix	trans	-60.5	-46.3	177.1	-178.2	66.5	0	0	0	111.5	R41 I42 A47 I48 C49 F99	R41-L45 PolarHBondContact O-N 3.39Å; I42-L45 WeakPolarHBondContact O-CB 3.45Å; I42-L45 PolarHBondContact O-N 2.97Å; I42-L45 VanDerWaalsContact O-N 3.13Å; L45-A47 VanDerWaalsContact C-N 3.33Å; L45-A47 PolarHBondContact O-N 2.96Å; L45-I48 PolarHBondContact O-N 2.96Å; L45-C49 WeakPolarHBondContact O-CB 3.45Å; L45-C49 PolarHBondContact O-N 2.98Å; L45-C49 PolarHBondContact O-SG 3.35Å; L45-C49 VanDerWaalsContact O-SG 3.36Å; L45-F99 HydrophobicContact CB-CE1 4.03Å; L45-F99 HydrophobicContact CB-CZ 4.32Å; L45-F99 HydrophobicContact CD1-CE1 3.86Å; L45-F99 HydrophobicContact CD1-CZ 4.14Å
46	V	91.6	Very high	88.1	Confident	74 Å²	74	45.7 Å²	45.7	45%	0.448	23%	0.225	S	C	.	.	H	α-helix	trans	-61.1	-43.6	177.4	175	0	0	0	0	110.7	I42 N43 I48 C49 M50 L126	I42-V46 HydrophobicContact CG2-CG2 4.41Å; I42-V46 WeakPolarHBondContact O-CG2 3.4Å; I42-V46 PolarHBondContact O-N 3.47Å; N43-V46 PolarHBondContact O-N 2.93Å; V46-I48 VanDerWaalsContact C-N 3.35Å; V46-I48 PolarHBondContact O-N 3.36Å; V46-C49 PolarHBondContact O-N 3.17Å; V46-M50 VanDerWaalsContact O-CB 3.29Å; V46-M50 WeakPolarHBondContact O-CB 3.35Å; V46-M50 PolarHBondContact O-N 3.21Å; V46-L126 HydrophobicContact CG1-CD1 4.14Å
47	A	92.1	Very high	88.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.3	-47	176.1	0	0	0	0	0	111.8	N43 L44 L45 G51 T123 L126 L127	N43-A47 WeakPolarHBondContact O-CB 3.38Å; N43-A47 PolarHBondContact O-N 3.44Å; L44-A47 WeakPolarHBondContact O-CB 3.38Å; L44-A47 PolarHBondContact O-N 2.9Å; L45-A47 VanDerWaalsContact C-N 3.33Å; L45-A47 PolarHBondContact O-N 2.96Å; A47-G51 PolarHBondContact O-N 3.45Å; A47-T123 WeakPolarHBondContact O-CG2 3.48Å; A47-L126 HydrophobicContact CB-CB 3.6Å; A47-L127 HydrophobicContact CB-CD2 3.9Å; A47-L127 HydrophobicContact CB-CG 4.07Å
48	I	90.4	Very high	88.5	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-64.6	-48.2	-179.9	-71	168.8	0	0	0	111.1	L44 L45 V46 M50 G51 L52 F99 L102 L103	L44-I48 HydrophobicContact CD1-CD1 4.04Å; L44-I48 HydrophobicContact CD1-CG1 4.33Å; L44-I48 HydrophobicContact CG-CD1 3.88Å; L44-I48 VanDerWaalsContact O-CG1 3.28Å; L44-I48 WeakPolarHBondContact O-CG1 3.24Å; L44-I48 PolarHBondContact O-N 3.26Å; L45-I48 PolarHBondContact O-N 2.96Å; V46-I48 VanDerWaalsContact C-N 3.35Å; V46-I48 PolarHBondContact O-N 3.36Å; I48-M50 PolarHBondContact O-N 3.31Å; I48-G51 PolarHBondContact O-N 2.71Å; I48-L52 HydrophobicContact CG2-CD1 3.92Å; I48-L52 WeakPolarHBondContact O-CB 3.49Å; I48-L52 WeakPolarHBondContact O-CG 3.47Å; I48-L52 PolarHBondContact O-N 2.94Å; I48-F99 HydrophobicContact CD1-CD1 4.03Å; I48-L102 HydrophobicContact CG2-CB 3.55Å; I48-L102 HydrophobicContact CG2-CD1 3.78Å; I48-L102 HydrophobicContact CG2-CG 4.26Å; I48-L103 HydrophobicContact CD1-CB 4.42Å; I48-L103 HydrophobicContact CD1-CD1 4.42Å; I48-L103 HydrophobicContact CG1-CD1 4.31Å
49	C	89.5	Confident	88.4	Confident	46 Å²	46	49.3 Å²	49.3	31%	0.311	24%	0.241	S	C	.	.	H	α-helix	trans	-60.5	-45	178.8	-71.8	0	0	0	0	111.6	L45 V46 Y53 F68	L45-C49 WeakPolarHBondContact O-CB 3.45Å; L45-C49 PolarHBondContact O-N 2.98Å; L45-C49 PolarHBondContact O-SG 3.35Å; L45-C49 VanDerWaalsContact O-SG 3.36Å; V46-C49 PolarHBondContact O-N 3.17Å; C49-Y53 VanDerWaalsContact O-CB 3.24Å; C49-Y53 WeakPolarHBondContact O-CB 3.36Å; C49-Y53 PolarHBondContact O-N 2.86Å; C49-F68 HydrophobicContact CB-CE2 4.48Å
50	M	90.4	Very high	88.2	Confident	58 Å²	58	48.8 Å²	48.8	29%	0.286	25%	0.251	S	S	.	.	H	α-helix	trans	-63.5	-45.5	178	-169.1	59.2	161.4	0	0	111.3	V46 I48 L52 Y53 V54 K119	V46-M50 VanDerWaalsContact O-CB 3.29Å; V46-M50 WeakPolarHBondContact O-CB 3.35Å; V46-M50 PolarHBondContact O-N 3.21Å; I48-M50 PolarHBondContact O-N 3.31Å; M50-L52 PolarHBondContact O-N 3.18Å; M50-Y53 PolarHBondContact O-N 2.92Å; M50-Y53 HydrophobicContact SD-CD1 4.49Å; M50-V54 WeakPolarHBondContact O-CG2 3.5Å; M50-V54 PolarHBondContact O-N 3.02Å; M50-K119 HydrophobicContact CE-CB 3.54Å; M50-K119 HydrophobicContact CE-CD 3.92Å; M50-K119 HydrophobicContact CE-CG 3.55Å
51	G	89.1	Confident	88	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.2	-41	179.2	0	0	0	0	0	113.8	A47 I48 R55 T123	A47-G51 PolarHBondContact O-N 3.45Å; I48-G51 PolarHBondContact O-N 2.71Å; G51-R55 WeakPolarHBondContact O-CD 3.48Å; G51-R55 WeakPolarHBondContact O-CG 3.01Å; G51-R55 PolarHBondContact O-N 3.17Å; G51-R55 PolarHBondContact O-NH1 3.05Å; G51-T123 PolarHBondContact N-OG1 2.91Å
52	L	87.9	Confident	87.8	Confident	8 Å²	8	49.9 Å²	49.9	4%	0.042	27%	0.272	C	S	.	.	H	α-helix	trans	-70.2	-37.6	175.5	-69.2	174	0	0	0	111.9	I48 M50 R55 W56 L102 L105	I48-L52 HydrophobicContact CG2-CD1 3.92Å; I48-L52 WeakPolarHBondContact O-CB 3.49Å; I48-L52 WeakPolarHBondContact O-CG 3.47Å; I48-L52 PolarHBondContact O-N 2.94Å; M50-L52 PolarHBondContact O-N 3.18Å; L52-R55 PolarHBondContact O-N 2.85Å; L52-W56 PolarHBondContact O-N 2.9Å; L52-L102 HydrophobicContact CD1-CB 4.47Å; L52-L102 HydrophobicContact CD1-CD2 3.76Å; L52-L105 HydrophobicContact CD2-CB 4.38Å
53	Y	88.4	Confident	87.6	Confident	95 Å²	95	50.5 Å²	50.5	37%	0.373	28%	0.275	S	S	.	.	H	α-helix	trans	-61.2	-44.7	175.8	174.3	-101.3	0	0	0	112.1	C49 M50 R55 W56 E57 K119	C49-Y53 VanDerWaalsContact O-CB 3.24Å; C49-Y53 WeakPolarHBondContact O-CB 3.36Å; C49-Y53 PolarHBondContact O-N 2.86Å; M50-Y53 PolarHBondContact O-N 2.92Å; M50-Y53 HydrophobicContact SD-CD1 4.49Å; Y53-R55 VanDerWaalsContact C-N 3.3Å; Y53-R55 PolarHBondContact O-N 3.28Å; Y53-W56 AromaticContact CD2-CE3 3.98Å; Y53-W56 HydrophobicContact CD2-CE3 3.98Å; Y53-W56 HydrophobicContact CD2-CZ3 4.28Å; Y53-W56 AromaticContact CE2-CE3 3.96Å; Y53-W56 HydrophobicContact CE2-CE3 3.96Å; Y53-W56 AromaticContact CE2-CZ3 3.84Å; Y53-W56 HydrophobicContact CE2-CZ3 3.84Å; Y53-W56 PolarHBondContact O-N 3.21Å; Y53-E57 WeakPolarHBondContact O-CB 3.37Å; Y53-E57 PolarHBondContact O-N 3.12Å; Y53-K119 HydrophobicContact CE1-CD 4.36Å
54	V	88.3	Confident	87.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.9	-41.6	176.4	173.9	0	0	0	0	111.7	M50 E57 K58 K119 E120	M50-V54 WeakPolarHBondContact O-CG2 3.5Å; M50-V54 PolarHBondContact O-N 3.02Å; V54-E57 PolarHBondContact O-N 3.28Å; V54-K58 WeakPolarHBondContact O-CB 3.43Å; V54-K58 VanDerWaalsContact O-CG 3.3Å; V54-K58 WeakPolarHBondContact O-CG 3.35Å; V54-K58 PolarHBondContact O-N 3.48Å; V54-K58 VanDerWaalsContact O-N 3.17Å; V54-K119 HydrophobicContact CG2-CB 3.24Å; V54-K119 HydrophobicContact CG2-CD 4.07Å; V54-K119 HydrophobicContact CG2-CG 4.3Å; V54-E120 HydrophobicContact CG1-CB 4.3Å
55	R	87.6	Confident	86.9	Confident	1 Å²	1	52.1 Å²	52.1	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-48.9	177.4	-71.6	159.6	176.6	67.2	-3.2	110.3	G51 L52 Y53 K58 T59 I64 L106 L109 F114 E120 N225	G51-R55 WeakPolarHBondContact O-CD 3.48Å; G51-R55 WeakPolarHBondContact O-CG 3.01Å; G51-R55 PolarHBondContact O-N 3.17Å; G51-R55 PolarHBondContact O-NH1 3.05Å; L52-R55 PolarHBondContact O-N 2.85Å; Y53-R55 VanDerWaalsContact C-N 3.3Å; Y53-R55 PolarHBondContact O-N 3.28Å; R55-K58 PolarHBondContact O-N 3.18Å; R55-T59 WeakPolarHBondContact O-CB 3.21Å; R55-T59 WeakPolarHBondContact O-CG2 3.36Å; R55-T59 PolarHBondContact O-N 2.91Å; R55-T59 PolarHBondContact O-OG1 3.5Å; R55-I64 HydrophobicContact CB-CD1 3.84Å; R55-L106 VanDerWaalsContact NH1-CD1 3.31Å; R55-L106 PolarHBondContact NH2-O 3.35Å; R55-L109 WeakPolarHBondContact CD-O 3.34Å; R55-L109 PolarHBondContact NE-O 3.38Å; R55-F114 HydrophobicContact CB-CZ 4.46Å; R55-F114 HydrophobicContact CG-CD2 4.48Å; R55-F114 HydrophobicContact CG-CE2 3.88Å; R55-F114 HydrophobicContact CG-CZ 4.06Å; R55-E120 IonicContact CZ-OE2 2.66Å; R55-E120 IonicContact NH1-OE1 3.88Å; R55-E120 IonicContact NH1-OE2 2.96Å; R55-E120 PolarHBondContact NH1-OE2 2.95Å; R55-E120 IonicContact NH2-OE1 3.26Å; R55-N225 PolarHBondContact NH2-ND2 2.97Å
56	W	87.8	Confident	86.7	Confident	91 Å²	91	53.9 Å²	53.9	35%	0.345	30%	0.296	S	S	.	.	H	α-helix	trans	-59.7	-46.3	176.8	175.1	68.9	0	0	0	112.9	L52 Y53 K58 T59 A60 I64 L65	L52-W56 PolarHBondContact O-N 2.9Å; Y53-W56 AromaticContact CD2-CE3 3.98Å; Y53-W56 HydrophobicContact CD2-CE3 3.98Å; Y53-W56 HydrophobicContact CD2-CZ3 4.28Å; Y53-W56 AromaticContact CE2-CE3 3.96Å; Y53-W56 HydrophobicContact CE2-CE3 3.96Å; Y53-W56 AromaticContact CE2-CZ3 3.84Å; Y53-W56 HydrophobicContact CE2-CZ3 3.84Å; Y53-W56 PolarHBondContact O-N 3.21Å; W56-K58 PolarHBondContact O-N 2.9Å; W56-T59 PolarHBondContact O-N 3.46Å; W56-A60 VanDerWaalsContact O-CA 3.3Å; W56-A60 WeakPolarHBondContact O-CA 3.33Å; W56-A60 PolarHBondContact O-N 2.89Å; W56-I64 HydrophobicContact CB-CB 4.2Å; W56-I64 HydrophobicContact CB-CG2 3.82Å; W56-L65 HydrophobicContact CZ2-CD1 4.25Å
57	E	87.1	Confident	86.4	Confident	81 Å²	81	51.8 Å²	51.8	38%	0.379	28%	0.282	S	S	.	.	H	α-helix	trans	-58.4	-35.5	180	-177.7	-179.8	-158.4	0	0	112.1	Y53 V54 K119	Y53-E57 WeakPolarHBondContact O-CB 3.37Å; Y53-E57 PolarHBondContact O-N 3.12Å; V54-E57 PolarHBondContact O-N 3.28Å; E57-K119 IonicContact OE1-NZ 2.71Å; E57-K119 PolarHBondContact OE1-NZ 2.9Å; E57-K119 IonicContact OE2-NZ 2.85Å; E57-K119 PolarHBondContact OE2-NZ 3.4Å
58	K	84.7	Confident	86	Confident	111 Å²	111	55.8 Å²	55.8	48%	0.483	30%	0.3	S	S	.	.	H	α-helix	trans	-92.3	-32.7	-176.5	-65	-65	-177	-177.4	0	114.1	V54 R55 W56 F114 D117	V54-K58 WeakPolarHBondContact O-CB 3.43Å; V54-K58 VanDerWaalsContact O-CG 3.3Å; V54-K58 WeakPolarHBondContact O-CG 3.35Å; V54-K58 PolarHBondContact O-N 3.48Å; V54-K58 VanDerWaalsContact O-N 3.17Å; R55-K58 PolarHBondContact O-N 3.18Å; W56-K58 PolarHBondContact O-N 2.9Å; K58-F114 HydrophobicContact CB-CD1 4.11Å; K58-F114 HydrophobicContact CB-CE1 3.61Å; K58-F114 HydrophobicContact CG-CD1 4.12Å; K58-F114 HydrophobicContact CG-CE1 4.13Å; K58-D117 WeakPolarHBondContact CE-OD2 3.17Å; K58-D117 IonicContact NZ-OD2 3.67Å; K58-D117 PolarHBondContact NZ-OD2 3.1Å
59	T	82.3	Confident	85.7	Confident	64 Å²	64	60.8 Å²	60.8	39%	0.393	33%	0.325	S	S	.	.	H	α-helix	trans	-94.7	-19.1	-178.6	64.7	0	0	0	0	113.1	R55 W56 D61 F114	R55-T59 WeakPolarHBondContact O-CB 3.21Å; R55-T59 WeakPolarHBondContact O-CG2 3.36Å; R55-T59 PolarHBondContact O-N 2.91Å; R55-T59 PolarHBondContact O-OG1 3.5Å; W56-T59 PolarHBondContact O-N 3.46Å; T59-D61 PolarHBondContact O-N 2.88Å; T59-D61 VanDerWaalsContact O-N 3.1Å; T59-D61 WeakPolarHBondContact OG1-CB 3.31Å; T59-D61 PolarHBondContact OG1-N 3.36Å; T59-F114 HydrophobicContact CG2-CE1 4.33Å; T59-F114 HydrophobicContact CG2-CZ 3.94Å
60	A	82.1	Confident	85.6	Confident	82 Å²	82	62.6 Å²	62.6	68%	0.678	33%	0.332	S	S	*	.			trans	51	25.7	-170.2	0	0	0	0	0	113.4	W56 A62	W56-A60 VanDerWaalsContact O-CA 3.3Å; W56-A60 WeakPolarHBondContact O-CA 3.33Å; W56-A60 PolarHBondContact O-N 2.89Å; A60-A62 PolarHBondContact O-N 3.35Å
61	D	81.7	Confident	85.3	Confident	60 Å²	60	60.1 Å²	60.1	32%	0.321	32%	0.321	S	S	.	.			trans	-74.5	117.1	-176	-172.3	-9.4	0	0	0	110.6	T59 L63 I64	T59-D61 PolarHBondContact O-N 2.88Å; T59-D61 VanDerWaalsContact O-N 3.1Å; T59-D61 WeakPolarHBondContact OG1-CB 3.31Å; T59-D61 PolarHBondContact OG1-N 3.36Å; D61-L63 PolarHBondContact O-N 3.39Å; D61-L63 WeakPolarHBondContact OD1-CB 3.37Å; D61-L63 PolarHBondContact OD1-N 3.32Å; D61-I64 HydrophobicContact CB-CD1 4.16Å; D61-I64 HydrophobicContact CB-CG1 4.2Å; D61-I64 PolarHBondContact O-N 2.91Å
62	A	83.8	Confident	85.1	Confident	66 Å²	66	65.2 Å²	65.2	55%	0.545	35%	0.347	S	S	.	.	H	α-helix	trans	-59.7	-27.3	178.6	0	0	0	0	0	112.5	A60 I64 L65 V66	A60-A62 PolarHBondContact O-N 3.35Å; A62-I64 VanDerWaalsContact C-N 3.33Å; A62-I64 PolarHBondContact O-N 2.96Å; A62-L65 WeakPolarHBondContact O-CB 3.37Å; A62-L65 PolarHBondContact O-N 3.27Å; A62-V66 WeakPolarHBondContact O-CG2 3.43Å; A62-V66 PolarHBondContact O-N 3.3Å
63	L	83.4	Confident	85.1	Confident	116 Å²	116	71.2 Å²	71.2	61%	0.607	37%	0.373	S	S	*	.	H	α-helix	trans	-63.2	-39	177.8	-67.4	173.3	0	0	0	112	D61 L65 V66 I67	D61-L63 PolarHBondContact O-N 3.39Å; D61-L63 WeakPolarHBondContact OD1-CB 3.37Å; D61-L63 PolarHBondContact OD1-N 3.32Å; L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 PolarHBondContact O-N 2.89Å; L63-V66 PolarHBondContact O-N 3.49Å; L63-I67 WeakPolarHBondContact O-CD1 3.31Å; L63-I67 VanDerWaalsContact O-CG1 3.25Å; L63-I67 WeakPolarHBondContact O-CG1 3.27Å; L63-I67 PolarHBondContact O-N 3.36Å
64	I	83.5	Confident	85	Confident	10 Å²	10	67.6 Å²	67.6	5%	0.051	36%	0.361	C	S	.	.	H	α-helix	trans	-66.7	-38.5	178.9	-56.7	176.6	0	0	0	110.3	R55 W56 D61 A62 I67 F68 L109	R55-I64 HydrophobicContact CB-CD1 3.84Å; W56-I64 HydrophobicContact CB-CB 4.2Å; W56-I64 HydrophobicContact CB-CG2 3.82Å; D61-I64 HydrophobicContact CB-CD1 4.16Å; D61-I64 HydrophobicContact CB-CG1 4.2Å; D61-I64 PolarHBondContact O-N 2.91Å; A62-I64 VanDerWaalsContact C-N 3.33Å; A62-I64 PolarHBondContact O-N 2.96Å; I64-I67 PolarHBondContact O-N 3.43Å; I64-F68 PolarHBondContact O-N 2.87Å; I64-L109 HydrophobicContact CD1-CD1 4.33Å; I64-L109 HydrophobicContact CG1-CD1 4.3Å
65	L	83.6	Confident	84.8	Confident	76 Å²	76	70.1 Å²	70.1	40%	0.398	37%	0.374	S	S	.	.	H	α-helix	trans	-64.6	-44.3	175.6	-173.5	68	0	0	0	111.7	W56 A62 L63 I67 F68 I69	W56-L65 HydrophobicContact CZ2-CD1 4.25Å; A62-L65 WeakPolarHBondContact O-CB 3.37Å; A62-L65 PolarHBondContact O-N 3.27Å; L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 PolarHBondContact O-N 2.89Å; L65-I67 VanDerWaalsContact C-N 3.32Å; L65-I67 PolarHBondContact O-N 3.18Å; L65-F68 WeakPolarHBondContact O-CB 3.39Å; L65-F68 PolarHBondContact O-N 2.97Å; L65-F68 VanDerWaalsContact O-N 3.16Å; L65-I69 HydrophobicContact CG-CD1 4.35Å; L65-I69 WeakPolarHBondContact O-CG1 3.27Å; L65-I69 PolarHBondContact O-N 3.4Å
66	V	85.8	Confident	84.8	Confident	91 Å²	91	71.5 Å²	71.5	55%	0.552	39%	0.389	S	S	*	.	H	α-helix	trans	-60.2	-43.2	175.6	171.4	0	0	0	0	111	A62 L63 F68 I69 L70	A62-V66 WeakPolarHBondContact O-CG2 3.43Å; A62-V66 PolarHBondContact O-N 3.3Å; L63-V66 PolarHBondContact O-N 3.49Å; V66-F68 VanDerWaalsContact C-N 3.3Å; V66-F68 PolarHBondContact O-N 3.27Å; V66-I69 PolarHBondContact O-N 3.3Å; V66-L70 WeakPolarHBondContact O-CB 3.44Å; V66-L70 PolarHBondContact O-N 3.26Å
67	I	85.9	Confident	84.8	Confident	30 Å²	30	70 Å²	70	15%	0.154	39%	0.387	C	S	.	.	H	α-helix	trans	-61.7	-39.5	175.9	-70.2	160.9	0	0	0	111.1	L63 I64 L65 L70 G71 W98 F101 L102 L105	L63-I67 WeakPolarHBondContact O-CD1 3.31Å; L63-I67 VanDerWaalsContact O-CG1 3.25Å; L63-I67 WeakPolarHBondContact O-CG1 3.27Å; L63-I67 PolarHBondContact O-N 3.36Å; I64-I67 PolarHBondContact O-N 3.43Å; L65-I67 VanDerWaalsContact C-N 3.32Å; L65-I67 PolarHBondContact O-N 3.18Å; I67-L70 PolarHBondContact O-N 2.9Å; I67-G71 PolarHBondContact O-N 3.17Å; I67-W98 HydrophobicContact CG2-CH2 4.39Å; I67-W98 HydrophobicContact CG2-CZ2 4.38Å; I67-F101 HydrophobicContact CG2-CE1 4.09Å; I67-L102 HydrophobicContact CG2-CD2 4.06Å; I67-L105 HydrophobicContact CD1-CD1 3.87Å; I67-L105 HydrophobicContact CD1-CD2 4.33Å; I67-L105 HydrophobicContact CG1-CD1 4.48Å; I67-L105 HydrophobicContact CG2-CD1 3.69Å
68	F	82.4	Confident	84.9	Confident	84 Å²	84	66.4 Å²	66.4	37%	0.368	37%	0.371	S	S	.	.	H	α-helix	trans	-64.6	-44.6	177.8	-158.5	-93.8	0	0	0	111.9	C49 I64 L65 V66 G71 L72	C49-F68 HydrophobicContact CB-CE2 4.48Å; I64-F68 PolarHBondContact O-N 2.87Å; L65-F68 WeakPolarHBondContact O-CB 3.39Å; L65-F68 PolarHBondContact O-N 2.97Å; L65-F68 VanDerWaalsContact O-N 3.16Å; V66-F68 VanDerWaalsContact C-N 3.3Å; V66-F68 PolarHBondContact O-N 3.27Å; F68-G71 PolarHBondContact O-N 2.76Å; F68-L72 HydrophobicContact CD1-CD1 4.18Å; F68-L72 HydrophobicContact CE1-CD1 4.16Å; F68-L72 HydrophobicContact CE1-CG 4.49Å; F68-L72 PolarHBondContact O-N 2.93Å
69	I	85.1	Confident	84.9	Confident	106 Å²	106	64 Å²	64	54%	0.544	37%	0.368	S	S	.	.	H	α-helix	trans	-62.1	-45.9	175.3	-65.6	167.3	0	0	0	110.6	L65 V66 G71 L72 F73	L65-I69 HydrophobicContact CG-CD1 4.35Å; L65-I69 WeakPolarHBondContact O-CG1 3.27Å; L65-I69 PolarHBondContact O-N 3.4Å; V66-I69 PolarHBondContact O-N 3.3Å; I69-G71 PolarHBondContact O-N 3.2Å; I69-L72 PolarHBondContact O-N 2.92Å; I69-F73 PolarHBondContact O-N 3.46Å
70	L	87.1	Confident	85.2	Confident	85 Å²	85	64.8 Å²	64.8	45%	0.445	37%	0.369	S	S	.	.	H	α-helix	trans	-60.1	-38.4	176.4	-174.1	66	0	0	0	111.1	V66 I67 F73 V74 W98	V66-L70 WeakPolarHBondContact O-CB 3.44Å; V66-L70 PolarHBondContact O-N 3.26Å; I67-L70 PolarHBondContact O-N 2.9Å; L70-F73 WeakPolarHBondContact O-CB 3.42Å; L70-F73 PolarHBondContact O-N 2.89Å; L70-V74 HydrophobicContact CG-CG2 4.41Å; L70-V74 WeakPolarHBondContact O-CB 3.13Å; L70-V74 VanDerWaalsContact O-CG2 3.25Å; L70-V74 WeakPolarHBondContact O-CG2 3.23Å; L70-V74 PolarHBondContact O-N 3.09Å; L70-W98 HydrophobicContact CB-CH2 4.24Å; L70-W98 HydrophobicContact CD2-CH2 3.99Å; L70-W98 HydrophobicContact CD2-CZ3 4.17Å; L70-W98 HydrophobicContact CG-CH2 4.02Å; L70-W98 HydrophobicContact CG-CZ3 4.35Å
71	G	83.6	Confident	85.4	Confident	5 Å²	5	62.7 Å²	62.7	5%	0.052	35%	0.346	C	S	.	.	H	α-helix	trans	-65.3	-41.1	177.2	0	0	0	0	0	114.2	I67 F68 I69 F73 V74 L75 W98	I67-G71 PolarHBondContact O-N 3.17Å; F68-G71 PolarHBondContact O-N 2.76Å; I69-G71 PolarHBondContact O-N 3.2Å; G71-F73 VanDerWaalsContact C-N 3.29Å; G71-F73 PolarHBondContact O-N 3.43Å; G71-V74 PolarHBondContact O-N 2.88Å; G71-L75 WeakPolarHBondContact O-CB 3.25Å; G71-L75 WeakPolarHBondContact O-CG 3.23Å; G71-L75 PolarHBondContact O-N 3.27Å; G71-W98 VanDerWaalsContact CA-NE1 3.34Å; G71-W98 VanDerWaalsContact N-CZ2 3.35Å
72	L	84.8	Confident	85.6	Confident	108 Å²	108	64.1 Å²	64.1	57%	0.565	35%	0.348	S	S	*	.	H	α-helix	trans	-62.1	-40	172.4	-68.5	173.5	0	0	0	111.3	F68 I69 G76	F68-L72 HydrophobicContact CD1-CD1 4.18Å; F68-L72 HydrophobicContact CE1-CD1 4.16Å; F68-L72 HydrophobicContact CE1-CG 4.49Å; F68-L72 PolarHBondContact O-N 2.93Å; I69-L72 PolarHBondContact O-N 2.92Å; L72-G76 PolarHBondContact O-N 3.3Å
73	F	87.6	Confident	85.7	Confident	134 Å²	134	69.6 Å²	69.6	59%	0.588	36%	0.355	S	S	*	.	H	α-helix	trans	-64.4	-45.6	176.2	-176.3	-107.2	0	0	0	112.2	I69 L70 G71 G76 I77	I69-F73 PolarHBondContact O-N 3.46Å; L70-F73 WeakPolarHBondContact O-CB 3.42Å; L70-F73 PolarHBondContact O-N 2.89Å; G71-F73 VanDerWaalsContact C-N 3.29Å; G71-F73 PolarHBondContact O-N 3.43Å; F73-G76 PolarHBondContact O-N 3.42Å; F73-I77 HydrophobicContact CD1-CD1 3.73Å; F73-I77 HydrophobicContact CE1-CD1 3.23Å; F73-I77 HydrophobicContact CE1-CG1 4.28Å; F73-I77 HydrophobicContact CE2-CD1 4.25Å; F73-I77 HydrophobicContact CG-CD1 4.43Å; F73-I77 HydrophobicContact CZ-CD1 3.53Å; F73-I77 HydrophobicContact CZ-CG1 4.29Å; F73-I77 WeakPolarHBondContact O-CG1 3.33Å; F73-I77 PolarHBondContact O-N 3.05Å
74	V	87.4	Confident	85.9	Confident	19 Å²	19	73 Å²	73	12%	0.115	36%	0.362	C	S	.	.	H	α-helix	trans	-62.4	-44.1	177.3	170.9	0	0	0	0	111.3	L70 G71 G76 I77 A78 L94 W98	L70-V74 HydrophobicContact CG-CG2 4.41Å; L70-V74 WeakPolarHBondContact O-CB 3.13Å; L70-V74 VanDerWaalsContact O-CG2 3.25Å; L70-V74 WeakPolarHBondContact O-CG2 3.23Å; L70-V74 PolarHBondContact O-N 3.09Å; G71-V74 PolarHBondContact O-N 2.88Å; V74-G76 VanDerWaalsContact C-N 3.35Å; V74-I77 PolarHBondContact O-N 3.1Å; V74-A78 WeakPolarHBondContact O-CB 3.07Å; V74-A78 PolarHBondContact O-N 3.41Å; V74-L94 HydrophobicContact CG1-CD1 4.19Å; V74-L94 HydrophobicContact CG1-CD2 3.86Å; V74-L94 HydrophobicContact CG1-CG 3.68Å; V74-L94 WeakPolarHBondContact O-CD2 3.49Å; V74-W98 HydrophobicContact CB-CD2 4.3Å; V74-W98 HydrophobicContact CB-CE3 4.41Å; V74-W98 HydrophobicContact CG1-CB 4.07Å; V74-W98 HydrophobicContact CG1-CD2 4.07Å; V74-W98 HydrophobicContact CG1-CE3 4.2Å; V74-W98 HydrophobicContact CG1-CG 3.99Å; V74-W98 HydrophobicContact CG2-CE3 4.15Å; V74-W98 HydrophobicContact CG2-CZ3 4.28Å
75	L	84.1	Confident	86.1	Confident	52 Å²	52	78.9 Å²	78.9	27%	0.272	39%	0.387	S	S	.	.	H	α-helix	trans	-66.2	-36.4	174.8	-70.8	171.4	0	0	0	112.1	G71 A78 S79	G71-L75 WeakPolarHBondContact O-CB 3.25Å; G71-L75 WeakPolarHBondContact O-CG 3.23Å; G71-L75 PolarHBondContact O-N 3.27Å; L75-A78 PolarHBondContact O-N 3Å; L75-S79 WeakPolarHBondContact O-CB 3.32Å; L75-S79 PolarHBondContact O-N 3.32Å; L75-S79 PolarHBondContact O-OG 3.23Å
76	G	86.9	Confident	86.2	Confident	30 Å²	30	79.9 Å²	79.9	31%	0.309	40%	0.401	S	S	.	.	H	α-helix	trans	-60.8	-49	172.8	0	0	0	0	0	112	L72 F73 V74 A78 S79 I80	L72-G76 PolarHBondContact O-N 3.3Å; F73-G76 PolarHBondContact O-N 3.42Å; V74-G76 VanDerWaalsContact C-N 3.35Å; G76-A78 PolarHBondContact O-N 3.47Å; G76-S79 WeakPolarHBondContact O-CB 3.44Å; G76-S79 PolarHBondContact O-N 3.5Å; G76-I80 WeakPolarHBondContact O-CG1 3.42Å; G76-I80 PolarHBondContact O-N 3.18Å
77	I	89.1	Confident	86.3	Confident	61 Å²	61	80.3 Å²	80.3	31%	0.313	40%	0.398	S	S	.	.	H	α-helix	trans	-60.8	-46.1	174.6	-69.8	172.3	0	0	0	110.9	F73 V74 S79 I80 L81 L94	F73-I77 HydrophobicContact CD1-CD1 3.73Å; F73-I77 HydrophobicContact CE1-CD1 3.23Å; F73-I77 HydrophobicContact CE1-CG1 4.28Å; F73-I77 HydrophobicContact CE2-CD1 4.25Å; F73-I77 HydrophobicContact CG-CD1 4.43Å; F73-I77 HydrophobicContact CZ-CD1 3.53Å; F73-I77 HydrophobicContact CZ-CG1 4.29Å; F73-I77 WeakPolarHBondContact O-CG1 3.33Å; F73-I77 PolarHBondContact O-N 3.05Å; V74-I77 PolarHBondContact O-N 3.1Å; I77-S79 PolarHBondContact O-N 3.47Å; I77-I80 PolarHBondContact O-N 3.19Å; I77-I80 VanDerWaalsContact O-N 3.17Å; I77-L81 HydrophobicContact CG2-CD1 3.83Å; I77-L81 HydrophobicContact CG2-CG 4.15Å; I77-L81 WeakPolarHBondContact O-CB 3.36Å; I77-L81 WeakPolarHBondContact O-CG 3.48Å; I77-L81 PolarHBondContact O-N 3.18Å; I77-L94 HydrophobicContact CB-CD2 4.2Å; I77-L94 HydrophobicContact CG2-CD2 3.88Å
78	A	87.6	Confident	86.2	Confident	5 Å²	5	84.2 Å²	84.2	4%	0.041	42%	0.415	C	S	.	.	H	α-helix	trans	-57.4	-41.5	177.4	0	0	0	0	0	111.2	V74 L75 G76 L81 Y82 S91 L94	V74-A78 WeakPolarHBondContact O-CB 3.07Å; V74-A78 PolarHBondContact O-N 3.41Å; L75-A78 PolarHBondContact O-N 3Å; G76-A78 PolarHBondContact O-N 3.47Å; A78-L81 PolarHBondContact O-N 3.08Å; A78-Y82 WeakPolarHBondContact O-CB 3.41Å; A78-Y82 PolarHBondContact O-N 3.35Å; A78-S91 VanDerWaalsContact O-CB 3.23Å; A78-S91 WeakPolarHBondContact O-CB 3.46Å; A78-S91 PolarHBondContact O-OG 3.16Å; A78-L94 HydrophobicContact CB-CD2 4.17Å
79	S	85.5	Confident	86.3	Confident	59 Å²	59	83.8 Å²	83.8	41%	0.413	43%	0.427	S	S	.	.	H	α-helix	trans	-66.5	-42.3	177.5	-56.5	0	0	0	0	111.6	L75 G76 I77 Y82 Y83	L75-S79 WeakPolarHBondContact O-CB 3.32Å; L75-S79 PolarHBondContact O-N 3.32Å; L75-S79 PolarHBondContact O-OG 3.23Å; G76-S79 WeakPolarHBondContact O-CB 3.44Å; G76-S79 PolarHBondContact O-N 3.5Å; I77-S79 PolarHBondContact O-N 3.47Å; S79-Y82 PolarHBondContact O-N 2.96Å; S79-Y83 WeakPolarHBondContact O-CD2 3.19Å; S79-Y83 PolarHBondContact O-N 2.93Å
80	I	88.1	Confident	86.3	Confident	81 Å²	81	80.3 Å²	80.3	42%	0.415	41%	0.414	S	S	.	.	H	α-helix	trans	-62.8	-46.8	176.3	-68.2	165.1	0	0	0	110.8	G76 I77 Y82 Y84 F85	G76-I80 WeakPolarHBondContact O-CG1 3.42Å; G76-I80 PolarHBondContact O-N 3.18Å; I77-I80 PolarHBondContact O-N 3.19Å; I77-I80 VanDerWaalsContact O-N 3.17Å; I80-Y82 PolarHBondContact O-N 3.2Å; I80-Y84 HydrophobicContact CB-CD2 4.48Å; I80-Y84 HydrophobicContact CG2-CD2 4.21Å; I80-Y84 WeakPolarHBondContact O-CA 3.28Å; I80-Y84 WeakPolarHBondContact O-CB 3.35Å; I80-Y84 PolarHBondContact O-N 3.45Å; I80-F85 HydrophobicContact CG2-CD2 4Å; I80-F85 HydrophobicContact CG2-CE2 3.75Å; I80-F85 PolarHBondContact O-N 3.24Å
81	L	86.4	Confident	86.2	Confident	39 Å²	39	76.9 Å²	76.9	20%	0.204	40%	0.397	C	S	.	.	H	α-helix	trans	-59.7	-37.6	177.2	-71.6	174.4	0	0	0	112	I77 A78 F85 S86 M87 A90	I77-L81 HydrophobicContact CG2-CD1 3.83Å; I77-L81 HydrophobicContact CG2-CG 4.15Å; I77-L81 WeakPolarHBondContact O-CB 3.36Å; I77-L81 WeakPolarHBondContact O-CG 3.48Å; I77-L81 PolarHBondContact O-N 3.18Å; A78-L81 PolarHBondContact O-N 3.08Å; L81-F85 HydrophobicContact CD2-CD2 4.19Å; L81-F85 CarbonylContact O-C 3.58Å; L81-S86 PolarHBondContact O-N 3.34Å; L81-M87 HydrophobicContact CD2-SD 4.3Å; L81-M87 PolarHBondContact O-N 3.46Å; L81-A90 HydrophobicContact CD1-CB 4.38Å
82	Y	86.1	Confident	86.3	Confident	89 Å²	89	80.8 Å²	80.8	35%	0.349	42%	0.416	S	S	.	.	H	α-helix	trans	-70.4	-56.5	178	-169	-90.5	0	0	0	112	A78 S79 I80 S86 E88	A78-Y82 WeakPolarHBondContact O-CB 3.41Å; A78-Y82 PolarHBondContact O-N 3.35Å; S79-Y82 PolarHBondContact O-N 2.96Å; I80-Y82 PolarHBondContact O-N 3.2Å; Y82-S86 WeakPolarHBondContact O-CA 3.44Å; Y82-S86 PolarHBondContact O-N 3.44Å; Y82-E88 HydrophobicContact CD2-CB 4.36Å; Y82-E88 HydrophobicContact CD2-CG 4.12Å; Y82-E88 HydrophobicContact CE2-CB 4.21Å; Y82-E88 HydrophobicContact CE2-CG 3.8Å
83	Y	86.3	Confident	86.5	Confident	181 Å²	181	77.4 Å²	77.4	71%	0.71	40%	0.402	S	S	*	.	H	α-helix	trans	-82.5	-37.3	-170.3	-74.6	-71.6	0	0	0	114.2	S79	S79-Y83 WeakPolarHBondContact O-CD2 3.19Å; S79-Y83 PolarHBondContact O-N 2.93Å
84	Y	88.1	Confident	86.5	Confident	189 Å²	189	73.4 Å²	73.4	74%	0.741	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-38.9	-175.1	-72.9	-90.1	0	0	0	113	I80	I80-Y84 HydrophobicContact CB-CD2 4.48Å; I80-Y84 HydrophobicContact CG2-CD2 4.21Å; I80-Y84 WeakPolarHBondContact O-CA 3.28Å; I80-Y84 WeakPolarHBondContact O-CB 3.35Å; I80-Y84 PolarHBondContact O-N 3.45Å
85	F	87.3	Confident	86.5	Confident	133 Å²	133	73.4 Å²	73.4	58%	0.583	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-4.2	-176.2	-65.5	-78.8	0	0	0	113.7	I80 L81 M87	I80-F85 HydrophobicContact CG2-CD2 4Å; I80-F85 HydrophobicContact CG2-CE2 3.75Å; I80-F85 PolarHBondContact O-N 3.24Å; L81-F85 HydrophobicContact CD2-CD2 4.19Å; L81-F85 CarbonylContact O-C 3.58Å; F85-M87 HydrophobicContact CB-CB 4.41Å; F85-M87 HydrophobicContact CB-CG 3.93Å; F85-M87 HydrophobicContact CB-SD 4.22Å; F85-M87 PolarHBondContact O-N 2.94Å
86	S	85.2	Confident	86.8	Confident	97 Å²	97	71.2 Å²	71.2	68%	0.678	38%	0.376	S	S	*	.			trans	52.3	26.1	-174.5	-55.9	0	0	0	0	113.3	L81 Y82 E88	L81-S86 PolarHBondContact O-N 3.34Å; Y82-S86 WeakPolarHBondContact O-CA 3.44Å; Y82-S86 PolarHBondContact O-N 3.44Å; S86-E88 VanDerWaalsContact C-N 3.33Å; S86-E88 PolarHBondContact O-N 3.21Å
87	M	87.1	Confident	87.1	Confident	99 Å²	99	72.2 Å²	72.2	49%	0.488	37%	0.374	S	S	.	.			trans	-91.8	66	-179.4	-68.8	-174.6	73.2	0	0	110.2	L81 F85 A89 A90 S91	L81-M87 HydrophobicContact CD2-SD 4.3Å; L81-M87 PolarHBondContact O-N 3.46Å; F85-M87 HydrophobicContact CB-CB 4.41Å; F85-M87 HydrophobicContact CB-CG 3.93Å; F85-M87 HydrophobicContact CB-SD 4.22Å; F85-M87 PolarHBondContact O-N 2.94Å; M87-A89 VanDerWaalsContact C-N 3.32Å; M87-A89 PolarHBondContact O-N 2.96Å; M87-A90 HydrophobicContact CB-CB 4.15Å; M87-A90 HydrophobicContact CE-CB 4.09Å; M87-A90 PolarHBondContact O-N 3.18Å; M87-S91 PolarHBondContact O-N 3.4Å; M87-S91 VanDerWaalsContact O-N 3.08Å
88	E	85	Confident	87.2	Confident	113 Å²	113	70.6 Å²	70.6	53%	0.528	36%	0.364	S	S	.	.	H	α-helix	trans	-56.3	-44	-175	-60.8	-176	175.3	0	0	112.7	Y82 S86 A90 S91 L92	Y82-E88 HydrophobicContact CD2-CB 4.36Å; Y82-E88 HydrophobicContact CD2-CG 4.12Å; Y82-E88 HydrophobicContact CE2-CB 4.21Å; Y82-E88 HydrophobicContact CE2-CG 3.8Å; S86-E88 VanDerWaalsContact C-N 3.33Å; S86-E88 PolarHBondContact O-N 3.21Å; E88-A90 PolarHBondContact O-N 3.05Å; E88-S91 PolarHBondContact O-N 2.86Å; E88-L92 WeakPolarHBondContact O-CB 3.41Å; E88-L92 WeakPolarHBondContact O-CG 3.25Å; E88-L92 PolarHBondContact O-N 2.98Å
89	A	83.9	Confident	87.3	Confident	74 Å²	74	71.3 Å²	71.3	61%	0.612	37%	0.366	S	S	*	.	H	α-helix	trans	-63.9	-39.9	-178.8	0	0	0	0	0	112.6	M87 S93	M87-A89 VanDerWaalsContact C-N 3.32Å; M87-A89 PolarHBondContact O-N 2.96Å; A89-S93 WeakPolarHBondContact O-CB 3.44Å; A89-S93 PolarHBondContact O-N 3.45Å; A89-S93 PolarHBondContact O-OG 3.41Å
90	A	84.9	Confident	87.6	Confident	34 Å²	34	68.6 Å²	68.6	28%	0.281	35%	0.347	S	S	.	.	H	α-helix	trans	-70.5	-41.9	179.2	0	0	0	0	0	111.2	L81 M87 E88 S93 L94	L81-A90 HydrophobicContact CD1-CB 4.38Å; M87-A90 HydrophobicContact CB-CB 4.15Å; M87-A90 HydrophobicContact CE-CB 4.09Å; M87-A90 PolarHBondContact O-N 3.18Å; E88-A90 PolarHBondContact O-N 3.05Å; A90-S93 PolarHBondContact O-N 3.37Å; A90-L94 WeakPolarHBondContact O-CB 3.44Å; A90-L94 PolarHBondContact O-N 2.99Å
91	S	86.2	Confident	87.9	Confident	12 Å²	12	66.1 Å²	66.1	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-59.9	-51.8	175	176.6	0	0	0	0	112.1	A78 M87 E88 S93 L94 S95	A78-S91 VanDerWaalsContact O-CB 3.23Å; A78-S91 WeakPolarHBondContact O-CB 3.46Å; A78-S91 PolarHBondContact O-OG 3.16Å; M87-S91 PolarHBondContact O-N 3.4Å; M87-S91 VanDerWaalsContact O-N 3.08Å; E88-S91 PolarHBondContact O-N 2.86Å; S91-S93 VanDerWaalsContact C-N 3.28Å; S91-S93 PolarHBondContact O-N 2.96Å; S91-L94 PolarHBondContact O-N 3Å; S91-S95 WeakPolarHBondContact O-CB 3.39Å; S91-S95 PolarHBondContact O-N 3.48Å
92	L	85.3	Confident	88.1	Confident	87 Å²	87	64.8 Å²	64.8	46%	0.455	33%	0.327	S	S	.	.	H	α-helix	trans	-61.4	-39.1	177.7	-73	168.4	0	0	0	111.5	E88 S95 N96	E88-L92 WeakPolarHBondContact O-CB 3.41Å; E88-L92 WeakPolarHBondContact O-CG 3.25Å; E88-L92 PolarHBondContact O-N 2.98Å; L92-S95 PolarHBondContact O-N 3.43Å; L92-N96 WeakPolarHBondContact O-CB 3.48Å; L92-N96 PolarHBondContact O-N 3.38Å; L92-N96 PolarHBondContact O-ND2 3.35Å
93	S	88.3	Confident	88.4	Confident	37 Å²	37	61 Å²	61	26%	0.259	31%	0.312	S	S	.	.	H	α-helix	trans	-62.1	-48.6	177.4	-64.6	0	0	0	0	111.7	A89 A90 S91 S95 N96 L97 L160	A89-S93 WeakPolarHBondContact O-CB 3.44Å; A89-S93 PolarHBondContact O-N 3.45Å; A89-S93 PolarHBondContact O-OG 3.41Å; A90-S93 PolarHBondContact O-N 3.37Å; S91-S93 VanDerWaalsContact C-N 3.28Å; S91-S93 PolarHBondContact O-N 2.96Å; S93-S95 VanDerWaalsContact C-N 3.31Å; S93-S95 PolarHBondContact O-N 3.33Å; S93-N96 PolarHBondContact O-N 3.47Å; S93-L97 WeakPolarHBondContact O-CB 3.36Å; S93-L97 PolarHBondContact O-N 3.04Å; S93-L160 WeakPolarHBondContact O-CD1 3.33Å
94	L	88.6	Confident	88.7	Confident	51 Å²	51	52.4 Å²	52.4	27%	0.267	28%	0.278	S	S	.	.	H	α-helix	trans	-61.6	-41.1	178.3	-168.5	70.7	0	0	0	111.4	V74 I77 A78 A90 S91 W98	V74-L94 HydrophobicContact CG1-CD1 4.19Å; V74-L94 HydrophobicContact CG1-CD2 3.86Å; V74-L94 HydrophobicContact CG1-CG 3.68Å; V74-L94 WeakPolarHBondContact O-CD2 3.49Å; I77-L94 HydrophobicContact CB-CD2 4.2Å; I77-L94 HydrophobicContact CG2-CD2 3.88Å; A78-L94 HydrophobicContact CB-CD2 4.17Å; A90-L94 WeakPolarHBondContact O-CB 3.44Å; A90-L94 PolarHBondContact O-N 2.99Å; S91-L94 PolarHBondContact O-N 3Å; L94-W98 WeakPolarHBondContact O-CB 3.35Å; L94-W98 PolarHBondContact O-N 3.21Å; L94-W98 VanDerWaalsContact O-N 3.09Å
95	S	86.8	Confident	88.7	Confident	19 Å²	19	43.4 Å²	43.4	13%	0.133	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-48.7	177.5	-178.4	0	0	0	0	112.6	S91 L92 S93 L97 W98 F99	S91-S95 WeakPolarHBondContact O-CB 3.39Å; S91-S95 PolarHBondContact O-N 3.48Å; L92-S95 PolarHBondContact O-N 3.43Å; S93-S95 VanDerWaalsContact C-N 3.31Å; S93-S95 PolarHBondContact O-N 3.33Å; S95-L97 PolarHBondContact O-N 3.28Å; S95-W98 WeakPolarHBondContact O-CB 3.4Å; S95-W98 PolarHBondContact O-N 3.06Å; S95-W98 VanDerWaalsContact O-N 3.16Å; S95-F99 WeakPolarHBondContact O-CD2 3.36Å; S95-F99 PolarHBondContact O-N 2.92Å; S95-F99 VanDerWaalsContact OG-CE2 3.31Å; S95-F99 WeakPolarHBondContact OG-CE2 3.38Å
96	N	90.8	Very high	88.9	Confident	6 Å²	6	37.1 Å²	37.1	3%	0.032	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-39.5	-179.4	-65.6	-38.5	0	0	0	112	R41 L92 S93 W98 F99 G100 V157 L160 E161	R41-N96 PolarHBondContact NH1-OD1 2.88Å; R41-N96 PolarHBondContact NH2-OD1 3.45Å; R41-N96 VanDerWaalsContact NH2-OD1 3.16Å; L92-N96 WeakPolarHBondContact O-CB 3.48Å; L92-N96 PolarHBondContact O-N 3.38Å; L92-N96 PolarHBondContact O-ND2 3.35Å; S93-N96 PolarHBondContact O-N 3.47Å; N96-W98 VanDerWaalsContact C-N 3.29Å; N96-W98 PolarHBondContact O-N 3.27Å; N96-F99 PolarHBondContact O-N 3.06Å; N96-G100 PolarHBondContact O-N 2.76Å; N96-G100 VanDerWaalsContact O-N 3.09Å; N96-V157 HydrophobicContact CB-CG1 4.45Å; N96-L160 HydrophobicContact CB-CB 4.21Å; N96-E161 HydrophobicContact CB-CG 4.24Å; N96-E161 WeakPolarHBondContact O-CG 3.37Å
97	L	92.6	Very high	89.1	Confident	51 Å²	51	32.5 Å²	32.5	27%	0.267	18%	0.184	S	C	.	.	H	α-helix	trans	-56.9	-45.8	172.5	-178.7	71.4	0	0	0	111.1	S93 S95 G100 F101 L160 V163 G164 I167	S93-L97 WeakPolarHBondContact O-CB 3.36Å; S93-L97 PolarHBondContact O-N 3.04Å; S95-L97 PolarHBondContact O-N 3.28Å; L97-G100 PolarHBondContact O-N 2.86Å; L97-F101 PolarHBondContact O-N 3.32Å; L97-L160 HydrophobicContact CB-CB 4.32Å; L97-L160 HydrophobicContact CD1-CD2 4.44Å; L97-L160 WeakPolarHBondContact CD1-O 3.21Å; L97-V163 HydrophobicContact CD1-CB 4.11Å; L97-V163 HydrophobicContact CD1-CG1 3.77Å; L97-G164 WeakPolarHBondContact O-CA 3.22Å; L97-I167 HydrophobicContact CD1-CD1 4.34Å
98	W	91.5	Very high	89.1	Confident	26 Å²	26	28.4 Å²	28.4	10%	0.098	16%	0.163	C	C	.	.	H	α-helix	trans	-66.7	-40.9	-179.5	-166.8	-112	0	0	0	112.8	I67 L70 G71 V74 L94 S95 N96 G100 F101 L102	I67-W98 HydrophobicContact CG2-CH2 4.39Å; I67-W98 HydrophobicContact CG2-CZ2 4.38Å; L70-W98 HydrophobicContact CB-CH2 4.24Å; L70-W98 HydrophobicContact CD2-CH2 3.99Å; L70-W98 HydrophobicContact CD2-CZ3 4.17Å; L70-W98 HydrophobicContact CG-CH2 4.02Å; L70-W98 HydrophobicContact CG-CZ3 4.35Å; G71-W98 VanDerWaalsContact CA-NE1 3.34Å; G71-W98 VanDerWaalsContact N-CZ2 3.35Å; V74-W98 HydrophobicContact CB-CD2 4.3Å; V74-W98 HydrophobicContact CB-CE3 4.41Å; V74-W98 HydrophobicContact CG1-CB 4.07Å; V74-W98 HydrophobicContact CG1-CD2 4.07Å; V74-W98 HydrophobicContact CG1-CE3 4.2Å; V74-W98 HydrophobicContact CG1-CG 3.99Å; V74-W98 HydrophobicContact CG2-CE3 4.15Å; V74-W98 HydrophobicContact CG2-CZ3 4.28Å; L94-W98 WeakPolarHBondContact O-CB 3.35Å; L94-W98 PolarHBondContact O-N 3.21Å; L94-W98 VanDerWaalsContact O-N 3.09Å; S95-W98 WeakPolarHBondContact O-CB 3.4Å; S95-W98 PolarHBondContact O-N 3.06Å; S95-W98 VanDerWaalsContact O-N 3.16Å; N96-W98 VanDerWaalsContact C-N 3.29Å; N96-W98 PolarHBondContact O-N 3.27Å; W98-G100 PolarHBondContact O-N 3.4Å; W98-F101 HydrophobicContact CD2-CD1 4.5Å; W98-F101 AromaticContact CE3-CD1 3.95Å; W98-F101 HydrophobicContact CE3-CD1 3.95Å; W98-F101 AromaticContact CH2-CD1 3.8Å; W98-F101 HydrophobicContact CH2-CD1 3.8Å; W98-F101 AromaticContact CH2-CE1 3.74Å; W98-F101 HydrophobicContact CH2-CE1 3.74Å; W98-F101 HydrophobicContact CZ2-CD1 4.33Å; W98-F101 HydrophobicContact CZ2-CE1 4.48Å; W98-F101 AromaticContact CZ3-CD1 3.59Å; W98-F101 HydrophobicContact CZ3-CD1 3.59Å; W98-F101 AromaticContact CZ3-CE1 3.82Å; W98-F101 HydrophobicContact CZ3-CE1 3.82Å; W98-F101 PolarHBondContact O-N 2.89Å; W98-L102 HydrophobicContact CD2-CG 4.41Å; W98-L102 HydrophobicContact CG-CD1 4.46Å; W98-L102 HydrophobicContact CG-CG 4.46Å; W98-L102 HydrophobicContact CZ2-CD2 3.68Å; W98-L102 HydrophobicContact CZ2-CG 4.22Å; W98-L102 WeakPolarHBondContact O-CG 3.23Å; W98-L102 PolarHBondContact O-N 2.89Å
99	F	89.8	Confident	89	Confident	21 Å²	21	25.7 Å²	25.7	9%	0.092	15%	0.152	C	C	.	.	H	α-helix	trans	-59.7	-45.8	174.6	-84.4	-67.1	0	0	0	112.2	L44 L45 I48 S95 N96 F101 L102 L103	L44-F99 HydrophobicContact CD2-CD1 4.48Å; L45-F99 HydrophobicContact CB-CE1 4.03Å; L45-F99 HydrophobicContact CB-CZ 4.32Å; L45-F99 HydrophobicContact CD1-CE1 3.86Å; L45-F99 HydrophobicContact CD1-CZ 4.14Å; I48-F99 HydrophobicContact CD1-CD1 4.03Å; S95-F99 WeakPolarHBondContact O-CD2 3.36Å; S95-F99 PolarHBondContact O-N 2.92Å; S95-F99 VanDerWaalsContact OG-CE2 3.31Å; S95-F99 WeakPolarHBondContact OG-CE2 3.38Å; N96-F99 PolarHBondContact O-N 3.06Å; F99-F101 VanDerWaalsContact C-N 3.32Å; F99-F101 PolarHBondContact O-N 3.33Å; F99-L102 PolarHBondContact O-N 2.68Å; F99-L103 WeakPolarHBondContact O-CB 3.31Å; F99-L103 PolarHBondContact O-N 2.89Å
100	G	92.1	Very high	88.8	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-43.3	174.8	0	0	0	0	0	112.5	N96 L97 W98 G104 E161 F165	N96-G100 PolarHBondContact O-N 2.76Å; N96-G100 VanDerWaalsContact O-N 3.09Å; L97-G100 PolarHBondContact O-N 2.86Å; W98-G100 PolarHBondContact O-N 3.4Å; G100-G104 PolarHBondContact O-N 2.93Å; G100-E161 WeakPolarHBondContact CA-O 3.05Å; G100-F165 WeakPolarHBondContact O-CA 3.21Å; G100-F165 PolarHBondContact O-N 2.88Å
101	F	93.3	Very high	88.3	Confident	30 Å²	30	26.2 Å²	26.2	13%	0.132	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-50.4	178.3	176.5	-104.8	0	0	0	112.9	I67 L97 W98 F99 L103 G104 L105 G164 I167 A168	I67-F101 HydrophobicContact CG2-CE1 4.09Å; L97-F101 PolarHBondContact O-N 3.32Å; W98-F101 HydrophobicContact CD2-CD1 4.5Å; W98-F101 AromaticContact CE3-CD1 3.95Å; W98-F101 HydrophobicContact CE3-CD1 3.95Å; W98-F101 AromaticContact CH2-CD1 3.8Å; W98-F101 HydrophobicContact CH2-CD1 3.8Å; W98-F101 AromaticContact CH2-CE1 3.74Å; W98-F101 HydrophobicContact CH2-CE1 3.74Å; W98-F101 HydrophobicContact CZ2-CD1 4.33Å; W98-F101 HydrophobicContact CZ2-CE1 4.48Å; W98-F101 AromaticContact CZ3-CD1 3.59Å; W98-F101 HydrophobicContact CZ3-CD1 3.59Å; W98-F101 AromaticContact CZ3-CE1 3.82Å; W98-F101 HydrophobicContact CZ3-CE1 3.82Å; W98-F101 PolarHBondContact O-N 2.89Å; F99-F101 VanDerWaalsContact C-N 3.32Å; F99-F101 PolarHBondContact O-N 3.33Å; F101-L103 VanDerWaalsContact C-N 3.35Å; F101-L103 PolarHBondContact O-N 2.9Å; F101-G104 PolarHBondContact O-N 3.5Å; F101-L105 HydrophobicContact CD1-CD1 3.91Å; F101-L105 HydrophobicContact CE1-CD1 3.35Å; F101-L105 HydrophobicContact CE1-CG 4.26Å; F101-L105 HydrophobicContact CE2-CD1 4.3Å; F101-L105 HydrophobicContact CE2-CG 4.41Å; F101-L105 HydrophobicContact CZ-CD1 3.58Å; F101-L105 HydrophobicContact CZ-CD2 4.4Å; F101-L105 HydrophobicContact CZ-CG 4.14Å; F101-L105 PolarHBondContact O-N 2.94Å; F101-G164 VanDerWaalsContact CA-O 3.29Å; F101-G164 WeakPolarHBondContact CA-O 3.18Å; F101-I167 HydrophobicContact CD2-CB 4.27Å; F101-I167 HydrophobicContact CD2-CG2 3.9Å; F101-I167 HydrophobicContact CE2-CG2 3.96Å; F101-A168 HydrophobicContact CD2-CB 3.82Å; F101-A168 HydrophobicContact CE2-CB 4.19Å; F101-A168 WeakPolarHBondContact O-CB 3.46Å
102	L	91.9	Very high	87.6	Confident	11 Å²	11	29.9 Å²	29.9	6%	0.058	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-39.2	-179.6	-66.9	179.5	0	0	0	112.3	I48 L52 I67 W98 F99 G104 L105 L106	I48-L102 HydrophobicContact CG2-CB 3.55Å; I48-L102 HydrophobicContact CG2-CD1 3.78Å; I48-L102 HydrophobicContact CG2-CG 4.26Å; L52-L102 HydrophobicContact CD1-CB 4.47Å; L52-L102 HydrophobicContact CD1-CD2 3.76Å; I67-L102 HydrophobicContact CG2-CD2 4.06Å; W98-L102 HydrophobicContact CD2-CG 4.41Å; W98-L102 HydrophobicContact CG-CD1 4.46Å; W98-L102 HydrophobicContact CG-CG 4.46Å; W98-L102 HydrophobicContact CZ2-CD2 3.68Å; W98-L102 HydrophobicContact CZ2-CG 4.22Å; W98-L102 WeakPolarHBondContact O-CG 3.23Å; W98-L102 PolarHBondContact O-N 2.89Å; F99-L102 PolarHBondContact O-N 2.68Å; L102-G104 VanDerWaalsContact C-N 3.32Å; L102-L105 HydrophobicContact CD2-CD1 4.47Å; L102-L105 PolarHBondContact O-N 3.22Å; L102-L106 PolarHBondContact O-N 2.71Å
103	L	91.4	Very high	86.9	Confident	9 Å²	9	29 Å²	29	5%	0.047	17%	0.17	C	C	.	.	H	α-helix	trans	-67.5	-36	177.5	-166.9	60.1	0	0	0	111.4	I48 F99 F101 L106 C107 L127 A228 F232	I48-L103 HydrophobicContact CD1-CB 4.42Å; I48-L103 HydrophobicContact CD1-CD1 4.42Å; I48-L103 HydrophobicContact CG1-CD1 4.31Å; F99-L103 WeakPolarHBondContact O-CB 3.31Å; F99-L103 PolarHBondContact O-N 2.89Å; F101-L103 VanDerWaalsContact C-N 3.35Å; F101-L103 PolarHBondContact O-N 2.9Å; L103-L106 HydrophobicContact CD1-CD2 4.33Å; L103-L106 PolarHBondContact O-N 3.5Å; L103-C107 PolarHBondContact O-N 3.36Å; L103-C107 VanDerWaalsContact O-N 3.1Å; L103-C107 PolarHBondContact O-SG 2.59Å; L103-L127 HydrophobicContact CD1-CD2 4.15Å; L103-A228 HydrophobicContact CD1-CB 4.21Å; L103-F232 HydrophobicContact CD2-CB 3.58Å; L103-F232 HydrophobicContact CD2-CD2 4Å; L103-F232 HydrophobicContact CD2-CG 4.28Å; L103-F232 HydrophobicContact CG-CB 4.16Å
104	G	91.8	Very high	86.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62	-45.6	170.7	0	0	0	0	0	112.9	G100 F101 L102 L106 C107 F108 F165	G100-G104 PolarHBondContact O-N 2.93Å; F101-G104 PolarHBondContact O-N 3.5Å; L102-G104 VanDerWaalsContact C-N 3.32Å; G104-L106 VanDerWaalsContact C-N 3.32Å; G104-L106 PolarHBondContact O-N 2.83Å; G104-C107 VanDerWaalsContact O-CB 3.29Å; G104-C107 WeakPolarHBondContact O-CB 3.44Å; G104-C107 PolarHBondContact O-N 2.72Å; G104-C107 VanDerWaalsContact O-N 3.09Å; G104-F108 WeakPolarHBondContact O-CD2 3.31Å; G104-F108 WeakPolarHBondContact O-CE2 3.2Å; G104-F108 PolarHBondContact O-N 2.98Å; G104-F108 VanDerWaalsContact O-N 3.1Å; G104-F165 VanDerWaalsContact CA-CD2 3.47Å
105	L	90.1	Very high	85.4	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-59.9	-43.1	175.2	-74	171.1	0	0	0	112.2	L52 I67 F101 L102 C107 F108 L109 A168 T171	L52-L105 HydrophobicContact CD2-CB 4.38Å; I67-L105 HydrophobicContact CD1-CD1 3.87Å; I67-L105 HydrophobicContact CD1-CD2 4.33Å; I67-L105 HydrophobicContact CG1-CD1 4.48Å; I67-L105 HydrophobicContact CG2-CD1 3.69Å; F101-L105 HydrophobicContact CD1-CD1 3.91Å; F101-L105 HydrophobicContact CE1-CD1 3.35Å; F101-L105 HydrophobicContact CE1-CG 4.26Å; F101-L105 HydrophobicContact CE2-CD1 4.3Å; F101-L105 HydrophobicContact CE2-CG 4.41Å; F101-L105 HydrophobicContact CZ-CD1 3.58Å; F101-L105 HydrophobicContact CZ-CD2 4.4Å; F101-L105 HydrophobicContact CZ-CG 4.14Å; F101-L105 PolarHBondContact O-N 2.94Å; L102-L105 HydrophobicContact CD2-CD1 4.47Å; L102-L105 PolarHBondContact O-N 3.22Å; L105-C107 PolarHBondContact O-N 3.21Å; L105-F108 PolarHBondContact O-N 2.7Å; L105-L109 HydrophobicContact CB-CD1 4.39Å; L105-L109 HydrophobicContact CD2-CD1 4.35Å; L105-L109 WeakPolarHBondContact O-CB 3.37Å; L105-L109 WeakPolarHBondContact O-CG 3.24Å; L105-L109 PolarHBondContact O-N 3.37Å; L105-A168 HydrophobicContact CG-CB 4.23Å; L105-T171 HydrophobicContact CD2-CG2 3.67Å
106	L	89.8	Confident	84.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.6	-33.1	176.8	-167.3	72.5	0	0	0	112.1	R55 L102 L103 G104 L127 A228	R55-L106 VanDerWaalsContact NH1-CD1 3.31Å; R55-L106 PolarHBondContact NH2-O 3.35Å; L102-L106 PolarHBondContact O-N 2.71Å; L103-L106 HydrophobicContact CD1-CD2 4.33Å; L103-L106 PolarHBondContact O-N 3.5Å; G104-L106 VanDerWaalsContact C-N 3.32Å; G104-L106 PolarHBondContact O-N 2.83Å; L106-L127 HydrophobicContact CD2-CD1 3.96Å; L106-L127 HydrophobicContact CD2-CD2 4.28Å; L106-A228 HydrophobicContact CB-CB 4.34Å; L106-A228 HydrophobicContact CD2-CB 3.93Å; L106-A228 HydrophobicContact CG-CB 4.1Å
107	C	89.8	Confident	84.6	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-68.4	-46.6	174.8	-67.7	0	0	0	0	112.6	L103 G104 L105 F165 T224 N225 A228 L229	L103-C107 PolarHBondContact O-N 3.36Å; L103-C107 VanDerWaalsContact O-N 3.1Å; L103-C107 PolarHBondContact O-SG 2.59Å; G104-C107 VanDerWaalsContact O-CB 3.29Å; G104-C107 WeakPolarHBondContact O-CB 3.44Å; G104-C107 PolarHBondContact O-N 2.72Å; G104-C107 VanDerWaalsContact O-N 3.09Å; L105-C107 PolarHBondContact O-N 3.21Å; C107-F165 HydrophobicContact CB-CE2 4.42Å; C107-F165 HydrophobicContact CB-CZ 4.48Å; C107-T224 CarbonylContact O-C 3.53Å; C107-T224 VanDerWaalsContact O-CA 3.31Å; C107-T224 WeakPolarHBondContact O-CA 3.5Å; C107-N225 PolarHBondContact O-N 2.9Å; C107-A228 WeakPolarHBondContact SG-CB 3.47Å; C107-L229 PolarHBondContact SG-N 3.27Å; C107-L229 VanDerWaalsContact SG-N 3.35Å
108	F	87.4	Confident	84.4	Confident	13 Å²	13	43.3 Å²	43.3	6%	0.057	24%	0.239	C	C	.	.	H	α-helix	trans	-88.4	-24.4	-169.9	-56.1	-50.5	0	0	0	114.4	G104 L105 N110 F165 A168 M172 I180 I222	G104-F108 WeakPolarHBondContact O-CD2 3.31Å; G104-F108 WeakPolarHBondContact O-CE2 3.2Å; G104-F108 PolarHBondContact O-N 2.98Å; G104-F108 VanDerWaalsContact O-N 3.1Å; L105-F108 PolarHBondContact O-N 2.7Å; F108-N110 VanDerWaalsContact C-N 3.26Å; F108-N110 PolarHBondContact O-N 2.97Å; F108-F165 HydrophobicContact CE2-CE1 4.24Å; F108-F165 HydrophobicContact CE2-CZ 4.31Å; F108-F165 AromaticContact CZ-CE1 3.67Å; F108-F165 HydrophobicContact CZ-CE1 3.67Å; F108-F165 AromaticContact CZ-CZ 3.77Å; F108-F165 HydrophobicContact CZ-CZ 3.77Å; F108-A168 HydrophobicContact CE2-CB 4.46Å; F108-M172 HydrophobicContact CB-CG 4.42Å; F108-M172 HydrophobicContact CB-SD 3.99Å; F108-M172 HydrophobicContact CD1-SD 3.64Å; F108-M172 HydrophobicContact CD2-SD 4.42Å; F108-M172 HydrophobicContact CE1-SD 4.28Å; F108-M172 HydrophobicContact CG-CG 4.48Å; F108-M172 HydrophobicContact CG-SD 3.75Å; F108-I180 HydrophobicContact CE1-CD1 4.18Å; F108-I180 HydrophobicContact CE1-CG1 4.22Å; F108-I180 HydrophobicContact CE1-CG2 4.42Å; F108-I180 HydrophobicContact CE2-CG2 4.49Å; F108-I180 HydrophobicContact CZ-CG1 4.29Å; F108-I180 HydrophobicContact CZ-CG2 3.72Å; F108-I222 HydrophobicContact CD1-CG2 4.46Å
109	L	82.4	Confident	84.3	Confident	56 Å²	56	44.9 Å²	44.9	29%	0.293	25%	0.247	S	C	.	.	S	Bend	trans	-87.9	49.9	177.5	-62.8	173.8	0	0	0	111.9	R55 I64 L105	R55-L109 WeakPolarHBondContact CD-O 3.34Å; R55-L109 PolarHBondContact NE-O 3.38Å; I64-L109 HydrophobicContact CD1-CD1 4.33Å; I64-L109 HydrophobicContact CG1-CD1 4.3Å; L105-L109 HydrophobicContact CB-CD1 4.39Å; L105-L109 HydrophobicContact CD2-CD1 4.35Å; L105-L109 WeakPolarHBondContact O-CB 3.37Å; L105-L109 WeakPolarHBondContact O-CG 3.24Å; L105-L109 PolarHBondContact O-N 3.37Å
110	N	80.1	Confident	84.2	Confident	41 Å²	41	44 Å²	44	22%	0.219	24%	0.243	C	C	.	.			trans	-96.4	143.4	177	-164.3	20.3	0	0	0	111.4	F108 P223 T224 N225	F108-N110 VanDerWaalsContact C-N 3.26Å; F108-N110 PolarHBondContact O-N 2.97Å; N110-P223 HydrophobicContact CB-CB 4.44Å; N110-P223 VanDerWaalsContact CB-O 3.31Å; N110-P223 WeakPolarHBondContact CB-O 3.34Å; N110-P223 WeakPolarHBondContact O-CB 3.41Å; N110-P223 WeakPolarHBondContact O-CG 3.44Å; N110-T224 PolarHBondContact ND2-O 3.46Å; N110-N225 HydrophobicContact CB-CB 4.25Å
111	N	75.6	Confident	84	Confident	78 Å²	78	48.4 Å²	48.4	42%	0.417	26%	0.263	S	S	.	.			trans	-142.4	147	177.2	-163.8	-18.6	0	0	0	110.2	A113 F114	N111-A113 PolarHBondContact O-N 3.49Å; N111-A113 PolarHBondContact OD1-N 2.95Å; N111-F114 HydrophobicContact CB-CD2 3.8Å; N111-F114 HydrophobicContact CB-CE1 4.35Å; N111-F114 HydrophobicContact CB-CE2 3.36Å; N111-F114 HydrophobicContact CB-CG 4.48Å; N111-F114 HydrophobicContact CB-CZ 3.67Å; N111-F114 VanDerWaalsContact N-CD2 3.34Å; N111-F114 VanDerWaalsContact N-CE2 3.32Å; N111-F114 WeakPolarHBondContact O-CD2 3.39Å; N111-F114 PolarHBondContact O-N 3.48Å; N111-F114 VanDerWaalsContact O-N 3.17Å
112	S	71.6	Confident	83.9	Confident	89 Å²	89	48.9 Å²	48.9	62%	0.622	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-60.8	-25.1	176	57.4	0	0	0	0	112.6	F114 K115	S112-F114 PolarHBondContact O-N 2.89Å; S112-F114 VanDerWaalsContact O-N 3.16Å; S112-K115 PolarHBondContact O-N 3.27Å
113	A	68.6	Low	83.9	Confident	67 Å²	67	48.4 Å²	48.4	55%	0.554	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-59.1	-21.6	175.5	0	0	0	0	0	114.1	N111	N111-A113 PolarHBondContact O-N 3.49Å; N111-A113 PolarHBondContact OD1-N 2.95Å
114	F	75.8	Confident	84	Confident	6 Å²	6	50.1 Å²	50.1	3%	0.026	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-89.5	-9.1	-177.2	-47.2	-41.1	0	0	0	113.7	R55 K58 T59 N111 S112 N116 D117 E120	R55-F114 HydrophobicContact CB-CZ 4.46Å; R55-F114 HydrophobicContact CG-CD2 4.48Å; R55-F114 HydrophobicContact CG-CE2 3.88Å; R55-F114 HydrophobicContact CG-CZ 4.06Å; K58-F114 HydrophobicContact CB-CD1 4.11Å; K58-F114 HydrophobicContact CB-CE1 3.61Å; K58-F114 HydrophobicContact CG-CD1 4.12Å; K58-F114 HydrophobicContact CG-CE1 4.13Å; T59-F114 HydrophobicContact CG2-CE1 4.33Å; T59-F114 HydrophobicContact CG2-CZ 3.94Å; N111-F114 HydrophobicContact CB-CD2 3.8Å; N111-F114 HydrophobicContact CB-CE1 4.35Å; N111-F114 HydrophobicContact CB-CE2 3.36Å; N111-F114 HydrophobicContact CB-CG 4.48Å; N111-F114 HydrophobicContact CB-CZ 3.67Å; N111-F114 VanDerWaalsContact N-CD2 3.34Å; N111-F114 VanDerWaalsContact N-CE2 3.32Å; N111-F114 WeakPolarHBondContact O-CD2 3.39Å; N111-F114 PolarHBondContact O-N 3.48Å; N111-F114 VanDerWaalsContact O-N 3.17Å; S112-F114 PolarHBondContact O-N 2.89Å; S112-F114 VanDerWaalsContact O-N 3.16Å; F114-N116 PolarHBondContact O-N 3.31Å; F114-N116 VanDerWaalsContact O-N 3.15Å; F114-D117 PolarHBondContact O-N 2.94Å; F114-E120 HydrophobicContact CB-CB 4.46Å; F114-E120 HydrophobicContact CB-CG 4.07Å
115	K	70.9	Confident	84	Confident	157 Å²	157	57.2 Å²	57.2	68%	0.683	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.1	-170.8	-77.2	-174.7	176.6	-177.1	0	114.3	S112	S112-K115 PolarHBondContact O-N 3.27Å
116	N	74.9	Confident	84.2	Confident	163 Å²	163	59.4 Å²	59.4	87%	0.872	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	5.7	-175.4	-62	-11.2	0	0	0	113.2	F114	F114-N116 PolarHBondContact O-N 3.31Å; F114-N116 VanDerWaalsContact O-N 3.15Å
117	D	85.1	Confident	84.4	Confident	25 Å²	25	59.4 Å²	59.4	13%	0.134	32%	0.316	C	S	.	.			trans	-88.1	126.3	-178.1	-160	-69.4	0	0	0	111.5	K58 F114 K119 E120 E121	K58-D117 WeakPolarHBondContact CE-OD2 3.17Å; K58-D117 IonicContact NZ-OD2 3.67Å; K58-D117 PolarHBondContact NZ-OD2 3.1Å; F114-D117 PolarHBondContact O-N 2.94Å; D117-K119 PolarHBondContact O-N 3.24Å; D117-K119 WeakPolarHBondContact OD1-CB 3.35Å; D117-K119 PolarHBondContact OD1-N 3.48Å; D117-E120 HydrophobicContact CB-CB 4.24Å; D117-E120 PolarHBondContact O-N 3.35Å; D117-E120 VanDerWaalsContact O-N 3.13Å; D117-E121 PolarHBondContact O-N 3.16Å; D117-E121 VanDerWaalsContact O-N 3.09Å
118	V	88.3	Confident	84.5	Confident	114 Å²	114	63.6 Å²	63.6	69%	0.691	34%	0.338	S	S	*	.	H	α-helix	trans	-59.6	-34.3	-179.8	-177.2	0	0	0	0	111.4	E121 A122	V118-E121 PolarHBondContact O-N 3.23Å; V118-A122 PolarHBondContact O-N 2.92Å
119	K	89	Confident	84.8	Confident	60 Å²	60	65 Å²	65	26%	0.261	35%	0.35	S	S	.	.	H	α-helix	trans	-71.4	-33.1	179.6	-58.7	-179.6	-168.2	170.1	0	111.9	M50 Y53 V54 E57 D117 T123	M50-K119 HydrophobicContact CE-CB 3.54Å; M50-K119 HydrophobicContact CE-CD 3.92Å; M50-K119 HydrophobicContact CE-CG 3.55Å; Y53-K119 HydrophobicContact CE1-CD 4.36Å; V54-K119 HydrophobicContact CG2-CB 3.24Å; V54-K119 HydrophobicContact CG2-CD 4.07Å; V54-K119 HydrophobicContact CG2-CG 4.3Å; E57-K119 IonicContact OE1-NZ 2.71Å; E57-K119 PolarHBondContact OE1-NZ 2.9Å; E57-K119 IonicContact OE2-NZ 2.85Å; E57-K119 PolarHBondContact OE2-NZ 3.4Å; D117-K119 PolarHBondContact O-N 3.24Å; D117-K119 WeakPolarHBondContact OD1-CB 3.35Å; D117-K119 PolarHBondContact OD1-N 3.48Å; K119-T123 PolarHBondContact O-N 3.5Å; K119-T123 PolarHBondContact O-OG1 3.33Å
120	E	87.9	Confident	85.3	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.009	34%	0.337	C	S	.	.	H	α-helix	trans	-71.5	-36.5	173	-178.3	64.8	-163.1	0	0	110.5	V54 R55 F114 D117 T123 K124 N225	V54-E120 HydrophobicContact CG1-CB 4.3Å; R55-E120 IonicContact CZ-OE2 2.66Å; R55-E120 IonicContact NH1-OE1 3.88Å; R55-E120 IonicContact NH1-OE2 2.96Å; R55-E120 PolarHBondContact NH1-OE2 2.95Å; R55-E120 IonicContact NH2-OE1 3.26Å; F114-E120 HydrophobicContact CB-CB 4.46Å; F114-E120 HydrophobicContact CB-CG 4.07Å; D117-E120 HydrophobicContact CB-CB 4.24Å; D117-E120 PolarHBondContact O-N 3.35Å; D117-E120 VanDerWaalsContact O-N 3.13Å; E120-T123 WeakPolarHBondContact O-CB 3.2Å; E120-T123 PolarHBondContact O-N 3.21Å; E120-K124 WeakPolarHBondContact O-CG 3.35Å; E120-K124 PolarHBondContact O-N 3.28Å; E120-K124 VanDerWaalsContact O-N 3.08Å; E120-N225 PolarHBondContact OE1-ND2 2.93Å
121	E	89.3	Confident	85.9	Confident	94 Å²	94	61.4 Å²	61.4	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-64.8	-44.4	173.7	-153.2	-176.5	161.6	0	0	112	D117 V118 T123 K124 Y125	D117-E121 PolarHBondContact O-N 3.16Å; D117-E121 VanDerWaalsContact O-N 3.09Å; V118-E121 PolarHBondContact O-N 3.23Å; E121-T123 VanDerWaalsContact C-N 3.3Å; E121-T123 PolarHBondContact O-N 3.2Å; E121-K124 WeakPolarHBondContact O-CB 3.17Å; E121-K124 PolarHBondContact O-N 3.21Å; E121-K124 VanDerWaalsContact O-N 3.12Å; E121-Y125 HydrophobicContact CG-CD2 4.28Å; E121-Y125 HydrophobicContact CG-CE2 3.65Å; E121-Y125 WeakPolarHBondContact O-CD2 3.29Å; E121-Y125 PolarHBondContact O-N 2.64Å; E121-Y125 VanDerWaalsContact O-N 3.14Å; E121-Y125 WeakPolarHBondContact OE1-CE2 3.37Å; E121-Y125 PolarHBondContact OE1-OH 3.33Å; E121-Y125 VanDerWaalsContact OE1-OH 3.05Å
122	A	91.4	Very high	86.7	Confident	40 Å²	40	61.3 Å²	61.3	33%	0.331	33%	0.333	S	S	.	.	H	α-helix	trans	-57.4	-43.1	172.6	0	0	0	0	0	111.9	V118 K124 Y125 L126	V118-A122 PolarHBondContact O-N 2.92Å; A122-K124 VanDerWaalsContact C-N 3.32Å; A122-K124 PolarHBondContact O-N 3.3Å; A122-Y125 PolarHBondContact O-N 3.45Å; A122-L126 VanDerWaalsContact O-CG 3.29Å; A122-L126 WeakPolarHBondContact O-CG 3.3Å; A122-L126 PolarHBondContact O-N 2.98Å
123	T	92	Very high	87.7	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56.8	-44	174.9	-59.7	0	0	0	0	111.9	A47 G51 K119 E120 E121 L126 L127	A47-T123 WeakPolarHBondContact O-CG2 3.48Å; G51-T123 PolarHBondContact N-OG1 2.91Å; K119-T123 PolarHBondContact O-N 3.5Å; K119-T123 PolarHBondContact O-OG1 3.33Å; E120-T123 WeakPolarHBondContact O-CB 3.2Å; E120-T123 PolarHBondContact O-N 3.21Å; E121-T123 VanDerWaalsContact C-N 3.3Å; E121-T123 PolarHBondContact O-N 3.2Å; T123-L126 PolarHBondContact O-N 2.74Å; T123-L127 HydrophobicContact CG2-CD1 4.14Å; T123-L127 HydrophobicContact CG2-CG 4.46Å; T123-L127 WeakPolarHBondContact O-CG 3.26Å; T123-L127 PolarHBondContact O-N 3.23Å
124	K	91.8	Very high	88.7	Confident	46 Å²	46	58.7 Å²	58.7	20%	0.2	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-44.4	178.7	-67.1	166.4	-173.4	158.7	0	112.2	E120 E121 A122 L126 L127 L128 F227	E120-K124 WeakPolarHBondContact O-CG 3.35Å; E120-K124 PolarHBondContact O-N 3.28Å; E120-K124 VanDerWaalsContact O-N 3.08Å; E121-K124 WeakPolarHBondContact O-CB 3.17Å; E121-K124 PolarHBondContact O-N 3.21Å; E121-K124 VanDerWaalsContact O-N 3.12Å; A122-K124 VanDerWaalsContact C-N 3.32Å; A122-K124 PolarHBondContact O-N 3.3Å; K124-L126 VanDerWaalsContact C-N 3.35Å; K124-L127 PolarHBondContact O-N 2.83Å; K124-L128 PolarHBondContact O-N 3.02Å; K124-F227 HydrophobicContact CB-CD1 4.25Å; K124-F227 HydrophobicContact CB-CD2 4.2Å; K124-F227 HydrophobicContact CB-CE1 4.49Å; K124-F227 HydrophobicContact CB-CE2 4.45Å; K124-F227 HydrophobicContact CB-CG 4.1Å; K124-F227 HydrophobicContact CD-CD2 3.84Å; K124-F227 HydrophobicContact CD-CE2 3.69Å; K124-F227 HydrophobicContact CD-CZ 4.28Å; K124-F227 HydrophobicContact CG-CB 4.41Å; K124-F227 HydrophobicContact CG-CD2 3.63Å; K124-F227 HydrophobicContact CG-CE2 3.98Å; K124-F227 HydrophobicContact CG-CG 3.95Å
125	Y	92.8	Very high	89.4	Confident	148 Å²	148	61.8 Å²	61.8	58%	0.58	31%	0.314	S	S	*	.	H	α-helix	trans	-65.3	-38.4	176.9	-69.1	-61.6	0	0	0	112.2	E121 A122 L128 S129	E121-Y125 HydrophobicContact CG-CD2 4.28Å; E121-Y125 HydrophobicContact CG-CE2 3.65Å; E121-Y125 WeakPolarHBondContact O-CD2 3.29Å; E121-Y125 PolarHBondContact O-N 2.64Å; E121-Y125 VanDerWaalsContact O-N 3.14Å; E121-Y125 WeakPolarHBondContact OE1-CE2 3.37Å; E121-Y125 PolarHBondContact OE1-OH 3.33Å; E121-Y125 VanDerWaalsContact OE1-OH 3.05Å; A122-Y125 PolarHBondContact O-N 3.45Å; Y125-L128 PolarHBondContact O-N 3.41Å; Y125-S129 WeakPolarHBondContact O-CB 3.26Å; Y125-S129 PolarHBondContact O-N 3.02Å; Y125-S129 PolarHBondContact O-OG 3.25Å
126	L	93.6	Very high	90.3	Very high	48 Å²	48	58.3 Å²	58.3	25%	0.251	30%	0.302	S	S	.	.	H	α-helix	trans	-66.2	-37.9	176.1	-69.2	169.7	0	0	0	112.4	N43 V46 A47 A122 T123 K124 S129 A130	N43-L126 PolarHBondContact ND2-O 3.46Å; N43-L126 VanDerWaalsContact OD1-CD2 3.3Å; N43-L126 WeakPolarHBondContact OD1-CD2 3.43Å; V46-L126 HydrophobicContact CG1-CD1 4.14Å; A47-L126 HydrophobicContact CB-CB 3.6Å; A122-L126 VanDerWaalsContact O-CG 3.29Å; A122-L126 WeakPolarHBondContact O-CG 3.3Å; A122-L126 PolarHBondContact O-N 2.98Å; T123-L126 PolarHBondContact O-N 2.74Å; K124-L126 VanDerWaalsContact C-N 3.35Å; L126-S129 WeakPolarHBondContact CA-OG 3.32Å; L126-S129 PolarHBondContact O-N 3.43Å; L126-S129 PolarHBondContact O-OG 3.09Å; L126-A130 WeakPolarHBondContact O-CB 3.23Å; L126-A130 PolarHBondContact O-N 3.24Å
127	L	93.6	Very high	90.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65	-43.6	173.2	-71	169.9	0	0	0	111.4	L44 A47 L103 L106 T123 K124 A130 I131 F227 A228 C231	L44-L127 HydrophobicContact CD1-CD2 4.12Å; A47-L127 HydrophobicContact CB-CD2 3.9Å; A47-L127 HydrophobicContact CB-CG 4.07Å; L103-L127 HydrophobicContact CD1-CD2 4.15Å; L106-L127 HydrophobicContact CD2-CD1 3.96Å; L106-L127 HydrophobicContact CD2-CD2 4.28Å; T123-L127 HydrophobicContact CG2-CD1 4.14Å; T123-L127 HydrophobicContact CG2-CG 4.46Å; T123-L127 WeakPolarHBondContact O-CG 3.26Å; T123-L127 PolarHBondContact O-N 3.23Å; K124-L127 PolarHBondContact O-N 2.83Å; L127-A130 WeakPolarHBondContact O-CB 3.34Å; L127-A130 PolarHBondContact O-N 2.91Å; L127-I131 WeakPolarHBondContact O-CG1 3.44Å; L127-I131 PolarHBondContact O-N 3.39Å; L127-I131 VanDerWaalsContact O-N 3.15Å; L127-F227 HydrophobicContact CD1-CB 4.13Å; L127-A228 HydrophobicContact CD1-CB 4.12Å; L127-C231 HydrophobicContact CB-CB 4.41Å; L127-C231 HydrophobicContact CD2-CB 4.2Å
128	L	93.6	Very high	91	Very high	89 Å²	89	49.5 Å²	49.5	47%	0.466	26%	0.255	S	S	.	.	H	α-helix	trans	-64.4	-41.9	177.4	-170.6	71.1	0	0	0	111.6	K124 Y125 A130 I131 V132	K124-L128 PolarHBondContact O-N 3.02Å; Y125-L128 PolarHBondContact O-N 3.41Å; L128-A130 VanDerWaalsContact C-N 3.3Å; L128-A130 PolarHBondContact O-N 3.44Å; L128-I131 WeakPolarHBondContact O-CB 3.42Å; L128-I131 PolarHBondContact O-N 3.48Å; L128-V132 WeakPolarHBondContact O-CG2 3.41Å; L128-V132 PolarHBondContact O-N 2.91Å; L128-V132 VanDerWaalsContact O-N 3.12Å
129	S	92.8	Very high	91	Very high	42 Å²	42	46.8 Å²	46.8	29%	0.294	24%	0.236	S	C	.	.	H	α-helix	trans	-65.5	-34.6	176.2	68.6	0	0	0	0	111.7	N43 Y125 L126 I131 V132 L133	N43-S129 PolarHBondContact ND2-OG 3.43Å; Y125-S129 WeakPolarHBondContact O-CB 3.26Å; Y125-S129 PolarHBondContact O-N 3.02Å; Y125-S129 PolarHBondContact O-OG 3.25Å; L126-S129 WeakPolarHBondContact CA-OG 3.32Å; L126-S129 PolarHBondContact O-N 3.43Å; L126-S129 PolarHBondContact O-OG 3.09Å; S129-I131 VanDerWaalsContact C-N 3.34Å; S129-I131 PolarHBondContact O-N 3.49Å; S129-V132 PolarHBondContact O-N 3.47Å; S129-L133 WeakPolarHBondContact O-CB 3.41Å; S129-L133 VanDerWaalsContact O-CG 3.25Å; S129-L133 WeakPolarHBondContact O-CG 3.31Å; S129-L133 PolarHBondContact O-N 3.4Å
130	A	92.9	Very high	90.9	Very high	3 Å²	3	46.3 Å²	46.3	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-61.5	-41.7	173.8	0	0	0	0	0	111.8	N43 L44 L126 L127 L128 R134	N43-A130 WeakPolarHBondContact ND2-CA 3.01Å; N43-A130 PolarHBondContact ND2-N 3.43Å; N43-A130 VanDerWaalsContact ND2-N 3.16Å; L44-A130 HydrophobicContact CB-CB 4.25Å; L44-A130 HydrophobicContact CD1-CB 4.35Å; L126-A130 WeakPolarHBondContact O-CB 3.23Å; L126-A130 PolarHBondContact O-N 3.24Å; L127-A130 WeakPolarHBondContact O-CB 3.34Å; L127-A130 PolarHBondContact O-N 2.91Å; L128-A130 VanDerWaalsContact C-N 3.3Å; L128-A130 PolarHBondContact O-N 3.44Å; A130-R134 VanDerWaalsContact O-CB 3.23Å; A130-R134 WeakPolarHBondContact O-CB 3.18Å; A130-R134 PolarHBondContact O-N 2.85Å
131	I	92.8	Very high	90.7	Very high	19 Å²	19	48.4 Å²	48.4	10%	0.097	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-50.8	175.1	-63.7	167.8	0	0	0	110.5	L127 L128 S129 R134 I135 A230 C231	L127-I131 WeakPolarHBondContact O-CG1 3.44Å; L127-I131 PolarHBondContact O-N 3.39Å; L127-I131 VanDerWaalsContact O-N 3.15Å; L128-I131 WeakPolarHBondContact O-CB 3.42Å; L128-I131 PolarHBondContact O-N 3.48Å; S129-I131 VanDerWaalsContact C-N 3.34Å; S129-I131 PolarHBondContact O-N 3.49Å; I131-R134 PolarHBondContact O-N 3.16Å; I131-I135 HydrophobicContact CG2-CD1 3.72Å; I131-I135 HydrophobicContact CG2-CG1 4.48Å; I131-I135 WeakPolarHBondContact O-CG1 3.49Å; I131-I135 PolarHBondContact O-N 2.86Å; I131-A230 HydrophobicContact CD1-CB 4.49Å; I131-C231 HydrophobicContact CD1-CB 4.03Å; I131-C231 HydrophobicContact CG1-CB 4.02Å
132	V	92.9	Very high	90.5	Very high	75 Å²	75	44.4 Å²	44.4	46%	0.455	23%	0.229	S	C	.	.	H	α-helix	trans	-62.2	-47.7	-178.1	173.9	0	0	0	0	110.8	L128 S129 R134 I135 L136	L128-V132 WeakPolarHBondContact O-CG2 3.41Å; L128-V132 PolarHBondContact O-N 2.91Å; L128-V132 VanDerWaalsContact O-N 3.12Å; S129-V132 PolarHBondContact O-N 3.47Å; V132-R134 VanDerWaalsContact C-N 3.3Å; V132-R134 PolarHBondContact O-N 3.16Å; V132-I135 PolarHBondContact O-N 2.92Å; V132-L136 HydrophobicContact CG1-CD1 3.72Å; V132-L136 HydrophobicContact CG1-CG 4.27Å; V132-L136 WeakPolarHBondContact O-CB 3.49Å; V132-L136 VanDerWaalsContact O-CG 3.25Å; V132-L136 WeakPolarHBondContact O-CG 3.48Å; V132-L136 PolarHBondContact O-N 2.89Å
133	L	91	Very high	89.9	Confident	36 Å²	36	44.9 Å²	44.9	19%	0.188	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-40.3	177.3	-72.4	171.8	0	0	0	111.7	L36 L39 A40 N43 S129 C137	L36-L133 HydrophobicContact CD1-CD2 4.01Å; L39-L133 HydrophobicContact CD2-CD2 4.49Å; L39-L133 HydrophobicContact CG-CD1 4.43Å; A40-L133 HydrophobicContact CB-CB 4Å; N43-L133 HydrophobicContact CB-CD1 4.37Å; S129-L133 WeakPolarHBondContact O-CB 3.41Å; S129-L133 VanDerWaalsContact O-CG 3.25Å; S129-L133 WeakPolarHBondContact O-CG 3.31Å; S129-L133 PolarHBondContact O-N 3.4Å; L133-C137 VanDerWaalsContact O-CB 3.23Å; L133-C137 WeakPolarHBondContact O-CB 3.49Å; L133-C137 PolarHBondContact O-N 3.21Å
134	R	90.7	Very high	89.1	Confident	66 Å²	66	45.7 Å²	45.7	25%	0.249	23%	0.231	C	C	.	.	H	α-helix	trans	-65.2	-46.4	178.2	-179.9	56.8	170.9	121.4	2.3	112.2	A130 I131 V132 C137 A138 C235 D239	A130-R134 VanDerWaalsContact O-CB 3.23Å; A130-R134 WeakPolarHBondContact O-CB 3.18Å; A130-R134 PolarHBondContact O-N 2.85Å; I131-R134 PolarHBondContact O-N 3.16Å; V132-R134 VanDerWaalsContact C-N 3.3Å; V132-R134 PolarHBondContact O-N 3.16Å; R134-C137 PolarHBondContact O-N 3.49Å; R134-A138 VanDerWaalsContact O-CB 3.25Å; R134-A138 WeakPolarHBondContact O-CB 3.48Å; R134-A138 PolarHBondContact O-N 3.23Å; R134-C235 HydrophobicContact CG-CB 4.47Å; R134-D239 IonicContact CZ-OD1 3.88Å; R134-D239 IonicContact CZ-OD2 2.87Å; R134-D239 IonicContact NH1-OD1 3.44Å; R134-D239 PolarHBondContact NH1-OD1 3.33Å; R134-D239 IonicContact NH1-OD2 3.86Å; R134-D239 PolarHBondContact NH1-OD2 3.29Å; R134-D239 IonicContact NH2-OD1 3.75Å; R134-D239 IonicContact NH2-OD2 2.92Å; R134-D239 PolarHBondContact NH2-OD2 3.02Å
135	I	90.3	Very high	88.2	Confident	71 Å²	71	45.9 Å²	45.9	36%	0.364	25%	0.246	S	C	.	.	H	α-helix	trans	-63.6	-45.2	177.7	-68.2	167.6	0	0	0	110.4	I131 V132 A138 L139 S238	I131-I135 HydrophobicContact CG2-CD1 3.72Å; I131-I135 HydrophobicContact CG2-CG1 4.48Å; I131-I135 WeakPolarHBondContact O-CG1 3.49Å; I131-I135 PolarHBondContact O-N 2.86Å; V132-I135 PolarHBondContact O-N 2.92Å; I135-A138 PolarHBondContact O-N 2.65Å; I135-L139 VanDerWaalsContact O-CB 3.31Å; I135-L139 WeakPolarHBondContact O-CB 3.42Å; I135-L139 PolarHBondContact O-N 3.32Å; I135-S238 VanDerWaalsContact CG1-OG 3.27Å; I135-S238 WeakPolarHBondContact CG1-OG 3.42Å
136	L	88.9	Confident	87	Confident	84 Å²	84	40.9 Å²	40.9	44%	0.44	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-46	177.5	-72.9	172.6	0	0	0	111.4	V132 L139 V140	V132-L136 HydrophobicContact CG1-CD1 3.72Å; V132-L136 HydrophobicContact CG1-CG 4.27Å; V132-L136 WeakPolarHBondContact O-CB 3.49Å; V132-L136 VanDerWaalsContact O-CG 3.25Å; V132-L136 WeakPolarHBondContact O-CG 3.48Å; V132-L136 PolarHBondContact O-N 2.89Å; L136-L139 PolarHBondContact O-N 2.9Å; L136-V140 WeakPolarHBondContact O-CB 3.47Å; L136-V140 WeakPolarHBondContact O-CG2 3.32Å; L136-V140 PolarHBondContact O-N 3.5Å
137	C	88.4	Confident	86.2	Confident	2 Å²	2	41 Å²	41	1%	0.014	23%	0.232	C	C	.	.	H	α-helix	trans	-58.3	-50.6	175.9	-167.4	0	0	0	0	111.1	L36 L133 R134 L139 V140 E141	L36-C137 HydrophobicContact CD2-CB 3.94Å; L36-C137 HydrophobicContact CG-CB 4.05Å; L133-C137 VanDerWaalsContact O-CB 3.23Å; L133-C137 WeakPolarHBondContact O-CB 3.49Å; L133-C137 PolarHBondContact O-N 3.21Å; R134-C137 PolarHBondContact O-N 3.49Å; C137-L139 VanDerWaalsContact C-N 3.27Å; C137-L139 PolarHBondContact O-N 3.41Å; C137-V140 PolarHBondContact O-N 2.87Å; C137-E141 WeakPolarHBondContact O-CB 3.25Å; C137-E141 VanDerWaalsContact O-CG 3.26Å; C137-E141 WeakPolarHBondContact O-CG 3.42Å; C137-E141 PolarHBondContact O-N 3.22Å; C137-E141 PolarHBondContact SG-OE1 2.85Å
138	A	87.9	Confident	85.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-35.7	179	0	0	0	0	0	112.7	R134 I135 R142 D239 L242	R134-A138 VanDerWaalsContact O-CB 3.25Å; R134-A138 WeakPolarHBondContact O-CB 3.48Å; R134-A138 PolarHBondContact O-N 3.23Å; I135-A138 PolarHBondContact O-N 2.65Å; A138-R142 WeakPolarHBondContact O-CD 3.33Å; A138-R142 WeakPolarHBondContact O-CG 3.23Å; A138-R142 PolarHBondContact O-N 2.87Å; A138-R142 PolarHBondContact O-NH1 3.17Å; A138-D239 WeakPolarHBondContact CB-OD1 3.4Å; A138-L242 HydrophobicContact CB-CD1 3.74Å
139	L	87.6	Confident	84.5	Confident	57 Å²	57	46.5 Å²	46.5	30%	0.298	26%	0.255	S	S	.	.	H	α-helix	trans	-72.1	-47.2	176.9	-174.8	71.4	0	0	0	111.4	I135 L136 C137 R142 I143 L242 F246	I135-L139 VanDerWaalsContact O-CB 3.31Å; I135-L139 WeakPolarHBondContact O-CB 3.42Å; I135-L139 PolarHBondContact O-N 3.32Å; L136-L139 PolarHBondContact O-N 2.9Å; C137-L139 VanDerWaalsContact C-N 3.27Å; C137-L139 PolarHBondContact O-N 3.41Å; L139-R142 PolarHBondContact O-N 2.9Å; L139-I143 HydrophobicContact CD1-CD1 4.12Å; L139-I143 HydrophobicContact CD2-CD1 4.25Å; L139-I143 HydrophobicContact CG-CD1 3.75Å; L139-I143 HydrophobicContact CG-CG1 4.45Å; L139-I143 WeakPolarHBondContact O-CG1 3.45Å; L139-I143 PolarHBondContact O-N 2.89Å; L139-L242 HydrophobicContact CB-CD1 4.5Å; L139-L242 HydrophobicContact CD1-CD2 4.2Å; L139-F246 HydrophobicContact CD1-CE2 4Å; L139-F246 HydrophobicContact CD1-CZ 4.08Å
140	V	86.1	Confident	83.7	Confident	50 Å²	50	53.4 Å²	53.4	30%	0.303	28%	0.275	S	S	.	.	H	α-helix	trans	-63	-44.1	179.9	177.3	0	0	0	0	110.5	V33 L136 C137 R142 I143 C144	V33-V140 HydrophobicContact CG2-CG1 3.65Å; L136-V140 WeakPolarHBondContact O-CB 3.47Å; L136-V140 WeakPolarHBondContact O-CG2 3.32Å; L136-V140 PolarHBondContact O-N 3.5Å; C137-V140 PolarHBondContact O-N 2.87Å; V140-R142 PolarHBondContact O-N 3.43Å; V140-I143 PolarHBondContact O-N 3.38Å; V140-C144 VanDerWaalsContact O-CB 3.3Å; V140-C144 WeakPolarHBondContact O-CB 3.46Å; V140-C144 PolarHBondContact O-N 3.06Å; V140-C144 PolarHBondContact O-SG 2.91Å; V140-C144 VanDerWaalsContact O-SG 3.33Å
141	E	84.6	Confident	83.2	Confident	46 Å²	46	55.5 Å²	55.5	22%	0.215	29%	0.288	C	S	.	.	H	α-helix	trans	-53.8	-38.4	175.7	-76.3	172.5	174.9	0	0	112.5	V33 C137 G145 C146 I147	V33-E141 HydrophobicContact CG1-CB 4.4Å; V33-E141 HydrophobicContact CG1-CG 3.3Å; C137-E141 WeakPolarHBondContact O-CB 3.25Å; C137-E141 VanDerWaalsContact O-CG 3.26Å; C137-E141 WeakPolarHBondContact O-CG 3.42Å; C137-E141 PolarHBondContact O-N 3.22Å; C137-E141 PolarHBondContact SG-OE1 2.85Å; E141-G145 PolarHBondContact O-N 2.9Å; E141-C146 PolarHBondContact O-N 3.42Å; E141-I147 HydrophobicContact CB-CD1 3.72Å; E141-I147 HydrophobicContact CB-CG1 3.7Å
142	R	84.1	Confident	82.9	Confident	11 Å²	11	57 Å²	57	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-78.9	-42.8	-179.8	-71.5	171.2	175.9	80	1.9	112.8	A138 L139 V140 C144 G145 I147 D239 D243 F246	A138-R142 WeakPolarHBondContact O-CD 3.33Å; A138-R142 WeakPolarHBondContact O-CG 3.23Å; A138-R142 PolarHBondContact O-N 2.87Å; A138-R142 PolarHBondContact O-NH1 3.17Å; L139-R142 PolarHBondContact O-N 2.9Å; V140-R142 PolarHBondContact O-N 3.43Å; R142-C144 VanDerWaalsContact C-N 3.3Å; R142-C144 PolarHBondContact O-N 3.12Å; R142-G145 PolarHBondContact O-N 3.43Å; R142-I147 HydrophobicContact CG-CD1 3.51Å; R142-I147 HydrophobicContact CG-CG1 4.39Å; R142-D239 IonicContact CZ-OD1 3.17Å; R142-D239 IonicContact NH1-OD1 3.03Å; R142-D239 PolarHBondContact NH1-OD1 3.46Å; R142-D239 VanDerWaalsContact NH2-CA 3.3Å; R142-D239 PolarHBondContact NH2-O 3.41Å; R142-D239 VanDerWaalsContact NH2-O 3.11Å; R142-D239 IonicContact NH2-OD1 3.99Å; R142-D239 PolarHBondContact NH2-OD1 3.42Å; R142-D239 VanDerWaalsContact NH2-OD1 3.1Å; R142-D243 IonicContact CZ-OD1 2.69Å; R142-D243 IonicContact NE-OD1 3.66Å; R142-D243 PolarHBondContact NE-OD1 2.68Å; R142-D243 VanDerWaalsContact NH2-CG 3.3Å; R142-D243 IonicContact NH2-OD1 3.59Å; R142-D243 PolarHBondContact NH2-OD1 3.04Å; R142-D243 IonicContact NH2-OD2 3.93Å; R142-D243 PolarHBondContact NH2-OD2 3.31Å; R142-F246 HydrophobicContact CB-CB 4.15Å; R142-F246 HydrophobicContact CB-CD1 3.98Å; R142-F246 HydrophobicContact CB-CD2 4.06Å; R142-F246 HydrophobicContact CB-CE1 4.39Å; R142-F246 HydrophobicContact CB-CE2 4.46Å; R142-F246 HydrophobicContact CB-CG 3.8Å; R142-F246 HydrophobicContact CG-CB 4.21Å; R142-F246 HydrophobicContact CG-CD2 4.41Å; R142-F246 HydrophobicContact CG-CG 4.27Å
143	I	79.9	Confident	82.5	Confident	50 Å²	50	55.6 Å²	55.6	26%	0.256	29%	0.288	S	S	.	.	H	α-helix	trans	-64.5	-38.6	177.8	-67.1	172.4	0	0	0	110.5	L20 L139 V140 G145 F246	L20-I143 HydrophobicContact CD2-CG2 4.14Å; L139-I143 HydrophobicContact CD1-CD1 4.12Å; L139-I143 HydrophobicContact CD2-CD1 4.25Å; L139-I143 HydrophobicContact CG-CD1 3.75Å; L139-I143 HydrophobicContact CG-CG1 4.45Å; L139-I143 WeakPolarHBondContact O-CG1 3.45Å; L139-I143 PolarHBondContact O-N 2.89Å; V140-I143 PolarHBondContact O-N 3.38Å; I143-G145 VanDerWaalsContact C-N 3.26Å; I143-G145 PolarHBondContact O-N 3.17Å; I143-F246 HydrophobicContact CG1-CE1 4.27Å; I143-F246 HydrophobicContact CG1-CZ 4.28Å
144	C	75.4	Confident	82.5	Confident	16 Å²	16	55.9 Å²	55.9	11%	0.108	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-0.7	178.1	-63.4	0	0	0	0	114	V140 R142 C146	V140-C144 VanDerWaalsContact O-CB 3.3Å; V140-C144 WeakPolarHBondContact O-CB 3.46Å; V140-C144 PolarHBondContact O-N 3.06Å; V140-C144 PolarHBondContact O-SG 2.91Å; V140-C144 VanDerWaalsContact O-SG 3.33Å; R142-C144 VanDerWaalsContact C-N 3.3Å; R142-C144 PolarHBondContact O-N 3.12Å; C144-C146 VanDerWaalsContact CB-SG 3.55Å; C144-C146 PolarHBondContact O-N 2.88Å
145	G	71.8	Confident	82.4	Confident	50 Å²	50	54.8 Å²	54.8	52%	0.515	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	21	-178.8	0	0	0	0	0	114.3	E141 R142 I143 I147	E141-G145 PolarHBondContact O-N 2.9Å; R142-G145 PolarHBondContact O-N 3.43Å; I143-G145 VanDerWaalsContact C-N 3.26Å; I143-G145 PolarHBondContact O-N 3.17Å; G145-I147 PolarHBondContact O-N 3.32Å
146	C	68.4	Low	82.4	Confident	44 Å²	44	55.8 Å²	55.8	30%	0.297	30%	0.3	S	S	.	.			trans	-77.3	-6.8	-177.6	-58.4	0	0	0	0	113.2	E141 C144	E141-C146 PolarHBondContact O-N 3.42Å; C144-C146 VanDerWaalsContact CB-SG 3.55Å; C144-C146 PolarHBondContact O-N 2.88Å
147	I	75.6	Confident	82.4	Confident	49 Å²	49	54.3 Å²	54.3	25%	0.251	29%	0.294	S	S	.	.			trans	-95.8	127.7	-177.8	-57.5	-169.8	0	0	0	111.1	E141 R142 G145	E141-I147 HydrophobicContact CB-CD1 3.72Å; E141-I147 HydrophobicContact CB-CG1 3.7Å; R142-I147 HydrophobicContact CG-CD1 3.51Å; R142-I147 HydrophobicContact CG-CG1 4.39Å; G145-I147 PolarHBondContact O-N 3.32Å
148	H	73.6	Confident	82.6	Confident	158 Å²	158	54.7 Å²	54.7	73%	0.731	30%	0.296	S	S	*	.			trans	-92.7	105.8	164.8	-162.3	76.5	0	0	0	110.1	R150	H148-R150 PolarHBondContact O-N 3.13Å
149	H	78.6	Confident	82.9	Confident	47 Å²	47	60 Å²	60	22%	0.218	32%	0.319	C	S	.	.			trans	-69.6	118.1	-179.9	-64.1	-69.5	0	0	0	110.9	D243 L249	H149-D243 IonicContact CE1-OD1 3.4Å; H149-D243 PolarHBondContact CE1-OD1 3.47Å; H149-D243 IonicContact ND1-OD1 3.61Å; H149-L249 HydrophobicContact CB-CD1 3.91Å; H149-L249 HydrophobicContact CB-CD2 4.27Å; H149-L249 HydrophobicContact CB-CG 3.93Å
150	R	77.1	Confident	83.2	Confident	188 Å²	188	58.5 Å²	58.5	71%	0.709	31%	0.311	S	S	*	.			trans	-106.5	141.5	175.5	-68.3	-173.4	178.3	-176.4	0.9	111	H148 T152	H148-R150 PolarHBondContact O-N 3.13Å; R150-T152 PolarHBondContact O-N 2.94Å; R150-T152 VanDerWaalsContact O-N 3.13Å
151	P	81.3	Confident	83.6	Confident	47 Å²	47	57.6 Å²	57.6	31%	0.305	30%	0.304	S	S	.	.			trans	-77.3	100.9	175.5	32.2	-34.1	0	0	0	109.9	E253 K256 P257	P151-E253 WeakPolarHBondContact CB-O 3.34Å; P151-K256 HydrophobicContact CB-CB 4.36Å; P151-K256 HydrophobicContact CG-CD 4.21Å; P151-P257 HydrophobicContact CB-CG 4.33Å; P151-P257 VanDerWaalsContact O-CG 3.25Å; P151-P257 WeakPolarHBondContact O-CG 3.34Å
152	T	85.6	Confident	84.2	Confident	50 Å²	50	55.7 Å²	55.7	31%	0.307	30%	0.295	S	S	.	.			trans	-133.3	155.4	174.6	56.1	0	0	0	0	109.3	R150 R195	R150-T152 PolarHBondContact O-N 2.94Å; R150-T152 VanDerWaalsContact O-N 3.13Å; T152-R195 WeakPolarHBondContact O-CD 3.46Å
153	L	86.2	Confident	84.8	Confident	45 Å²	45	57.4 Å²	57.4	24%	0.236	31%	0.307	C	S	.	.	S	Bend	trans	-80.5	-54.5	172.1	-65.2	172	0	0	0	109.7	I192 R195 M196 P257	L153-I192 HydrophobicContact CB-CG1 4.38Å; L153-I192 HydrophobicContact CB-CG2 4.21Å; L153-I192 HydrophobicContact CD2-CG2 3.9Å; L153-R195 WeakPolarHBondContact O-CD 3.42Å; L153-M196 HydrophobicContact CD2-CE 3.82Å; L153-M196 HydrophobicContact CD2-SD 4.16Å; L153-P257 HydrophobicContact CD1-CB 4.5Å; L153-P257 HydrophobicContact CG-CB 4.07Å
154	L	89.4	Confident	85.5	Confident	42 Å²	42	55 Å²	55	22%	0.22	30%	0.295	C	S	.	.	S	Bend	trans	-133.2	139	176	-164.9	67.9	0	0	0	108.2	E158 F159 L162 I191	L154-E158 HydrophobicContact CD1-CB 3.66Å; L154-E158 HydrophobicContact CD1-CG 4.44Å; L154-E158 HydrophobicContact CG-CB 3.99Å; L154-F159 HydrophobicContact CD2-CB 3.72Å; L154-F159 HydrophobicContact CD2-CD2 3.99Å; L154-F159 HydrophobicContact CD2-CG 4.36Å; L154-F159 HydrophobicContact CG-CB 4.3Å; L154-L162 HydrophobicContact CD1-CD1 4.33Å; L154-L162 HydrophobicContact CD2-CD1 4.12Å; L154-I191 HydrophobicContact CD1-CB 4.21Å; L154-I191 HydrophobicContact CD1-CG2 3.65Å
155	T	90.3	Very high	86.4	Confident	43 Å²	43	54.6 Å²	54.6	26%	0.264	29%	0.291	S	S	.	.			trans	-77	154.2	173.8	66.2	0	0	0	0	110.4	V157 E158 F159	T155-V157 PolarHBondContact O-N 3.19Å; T155-E158 WeakPolarHBondContact CB-OE2 3.11Å; T155-E158 WeakPolarHBondContact CG2-OE2 3.05Å; T155-E158 PolarHBondContact N-OE2 2.85Å; T155-E158 PolarHBondContact O-N 3.49Å; T155-E158 WeakPolarHBondContact OG1-CB 3.2Å; T155-E158 WeakPolarHBondContact OG1-CG 3.31Å; T155-E158 PolarHBondContact OG1-N 2.96Å; T155-E158 PolarHBondContact OG1-OE2 3.44Å; T155-F159 WeakPolarHBondContact O-CB 3.49Å; T155-F159 PolarHBondContact O-N 3.4Å
156	T	88.9	Confident	87.5	Confident	93 Å²	93	53 Å²	53	57%	0.571	27%	0.273	S	S	*	.	H	α-helix	trans	-59.2	-32.5	176.3	-48.2	0	0	0	0	111.9	L160	T156-L160 HydrophobicContact CG2-CD1 3.77Å; T156-L160 HydrophobicContact CG2-CG 4.43Å; T156-L160 WeakPolarHBondContact O-CB 3.33Å; T156-L160 WeakPolarHBondContact O-CD1 3.22Å; T156-L160 WeakPolarHBondContact O-CG 3.33Å; T156-L160 PolarHBondContact O-N 3.12Å; T156-L160 VanDerWaalsContact O-N 3.09Å
157	V	89.5	Confident	88.7	Confident	53 Å²	53	54.6 Å²	54.6	32%	0.321	28%	0.278	S	S	.	.	H	α-helix	trans	-65.2	-55.3	176.6	-177.7	0	0	0	0	110.5	N96 T155 F159 L160 E161	N96-V157 HydrophobicContact CB-CG1 4.45Å; T155-V157 PolarHBondContact O-N 3.19Å; V157-F159 VanDerWaalsContact C-N 3.32Å; V157-F159 PolarHBondContact O-N 2.82Å; V157-L160 PolarHBondContact O-N 2.95Å; V157-E161 PolarHBondContact O-N 3.43Å
158	E	93.3	Very high	89.5	Confident	9 Å²	9	52.3 Å²	52.3	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-57.8	-45.6	179	-68.2	157.4	154.5	0	0	110.9	L154 T155 L160 E161 L162 R195 L236	L154-E158 HydrophobicContact CD1-CB 3.66Å; L154-E158 HydrophobicContact CD1-CG 4.44Å; L154-E158 HydrophobicContact CG-CB 3.99Å; T155-E158 WeakPolarHBondContact CB-OE2 3.11Å; T155-E158 WeakPolarHBondContact CG2-OE2 3.05Å; T155-E158 PolarHBondContact N-OE2 2.85Å; T155-E158 PolarHBondContact O-N 3.49Å; T155-E158 WeakPolarHBondContact OG1-CB 3.2Å; T155-E158 WeakPolarHBondContact OG1-CG 3.31Å; T155-E158 PolarHBondContact OG1-N 2.96Å; T155-E158 PolarHBondContact OG1-OE2 3.44Å; E158-L160 PolarHBondContact O-N 3.49Å; E158-E161 PolarHBondContact O-N 2.91Å; E158-L162 WeakPolarHBondContact O-CB 3.1Å; E158-L162 WeakPolarHBondContact O-CD1 3.39Å; E158-L162 WeakPolarHBondContact O-CG 3.36Å; E158-L162 PolarHBondContact O-N 3.35Å; E158-R195 IonicContact OE1-CZ 2.64Å; E158-R195 IonicContact OE1-NH2 3.8Å; E158-R195 PolarHBondContact OE1-NH2 3.04Å; E158-R195 IonicContact OE2-NH2 3.45Å; E158-R195 PolarHBondContact OE2-NH2 3.46Å; E158-L236 HydrophobicContact CB-CD2 4.16Å; E158-L236 HydrophobicContact CG-CD2 4.02Å
159	F	93.9	Very high	90.4	Very high	111 Å²	111	44.8 Å²	44.8	49%	0.487	23%	0.231	S	C	.	.	H	α-helix	trans	-57.5	-48.4	178.5	178.1	-107.1	0	0	0	112.1	L154 T155 V157 L162 V163	L154-F159 HydrophobicContact CD2-CB 3.72Å; L154-F159 HydrophobicContact CD2-CD2 3.99Å; L154-F159 HydrophobicContact CD2-CG 4.36Å; L154-F159 HydrophobicContact CG-CB 4.3Å; T155-F159 WeakPolarHBondContact O-CB 3.49Å; T155-F159 PolarHBondContact O-N 3.4Å; V157-F159 VanDerWaalsContact C-N 3.32Å; V157-F159 PolarHBondContact O-N 2.82Å; F159-L162 PolarHBondContact O-N 2.99Å; F159-V163 HydrophobicContact CD1-CG2 4.4Å; F159-V163 HydrophobicContact CD2-CG2 4.29Å; F159-V163 HydrophobicContact CE1-CG2 4Å; F159-V163 HydrophobicContact CE2-CG2 3.88Å; F159-V163 HydrophobicContact CZ-CG2 3.73Å; F159-V163 WeakPolarHBondContact O-CB 3.08Å; F159-V163 VanDerWaalsContact O-CG2 3.24Å; F159-V163 WeakPolarHBondContact O-CG2 3.48Å; F159-V163 PolarHBondContact O-N 3.35Å
160	L	94.6	Very high	90.9	Very high	26 Å²	26	46.7 Å²	46.7	14%	0.136	25%	0.246	C	C	.	.	H	α-helix	trans	-72	-37.2	-176.6	-69.1	169	0	0	0	112.3	S93 N96 L97 T156 V157 E158 V163 G164	S93-L160 WeakPolarHBondContact O-CD1 3.33Å; N96-L160 HydrophobicContact CB-CB 4.21Å; L97-L160 HydrophobicContact CB-CB 4.32Å; L97-L160 HydrophobicContact CD1-CD2 4.44Å; L97-L160 WeakPolarHBondContact CD1-O 3.21Å; T156-L160 HydrophobicContact CG2-CD1 3.77Å; T156-L160 HydrophobicContact CG2-CG 4.43Å; T156-L160 WeakPolarHBondContact O-CB 3.33Å; T156-L160 WeakPolarHBondContact O-CD1 3.22Å; T156-L160 WeakPolarHBondContact O-CG 3.33Å; T156-L160 PolarHBondContact O-N 3.12Å; T156-L160 VanDerWaalsContact O-N 3.09Å; V157-L160 PolarHBondContact O-N 2.95Å; E158-L160 PolarHBondContact O-N 3.49Å; L160-V163 PolarHBondContact O-N 2.87Å; L160-G164 PolarHBondContact O-N 3.19Å
161	E	94.2	Very high	91.4	Very high	31 Å²	31	41.4 Å²	41.4	15%	0.145	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-41.8	173.6	-74.8	-178.7	-168.1	0	0	111.7	N96 G100 V157 E158 G164 F165 L236	N96-E161 HydrophobicContact CB-CG 4.24Å; N96-E161 WeakPolarHBondContact O-CG 3.37Å; G100-E161 WeakPolarHBondContact CA-O 3.05Å; V157-E161 PolarHBondContact O-N 3.43Å; E158-E161 PolarHBondContact O-N 2.91Å; E161-G164 PolarHBondContact O-N 3.48Å; E161-F165 WeakPolarHBondContact O-CB 3.33Å; E161-F165 PolarHBondContact O-N 3.22Å; E161-L236 HydrophobicContact CB-CD2 4.23Å; E161-L236 WeakPolarHBondContact OE2-CD2 3.49Å
162	L	96.1	Very high	91.6	Very high	6 Å²	6	41 Å²	41	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-47.1	174	-71.3	163.9	0	0	0	111.5	L154 E158 F159 G164 F165 A166 V184 L187 A188 I191 F232 L236	L154-L162 HydrophobicContact CD1-CD1 4.33Å; L154-L162 HydrophobicContact CD2-CD1 4.12Å; E158-L162 WeakPolarHBondContact O-CB 3.1Å; E158-L162 WeakPolarHBondContact O-CD1 3.39Å; E158-L162 WeakPolarHBondContact O-CG 3.36Å; E158-L162 PolarHBondContact O-N 3.35Å; F159-L162 PolarHBondContact O-N 2.99Å; L162-G164 VanDerWaalsContact C-N 3.35Å; L162-G164 PolarHBondContact O-N 2.82Å; L162-F165 PolarHBondContact O-N 3.28Å; L162-A166 WeakPolarHBondContact O-CB 3.44Å; L162-A166 PolarHBondContact O-N 3.31Å; L162-V184 HydrophobicContact CB-CG1 3.78Å; L162-V184 HydrophobicContact CD2-CG1 3.67Å; L162-V184 HydrophobicContact CG-CG1 4.32Å; L162-V184 WeakPolarHBondContact O-CG1 3.33Å; L162-L187 HydrophobicContact CD2-CB 4.33Å; L162-L187 HydrophobicContact CD2-CD2 3.8Å; L162-L187 HydrophobicContact CD2-CG 4.07Å; L162-A188 HydrophobicContact CD1-CB 3.83Å; L162-I191 HydrophobicContact CD1-CD1 4.27Å; L162-F232 HydrophobicContact CD2-CE1 4.48Å; L162-F232 HydrophobicContact CD2-CZ 4.04Å; L162-L236 HydrophobicContact CD2-CD1 3.87Å; L162-L236 HydrophobicContact CG-CD1 4.21Å
163	V	96.3	Very high	91.7	Very high	48 Å²	48	45 Å²	45	29%	0.291	25%	0.248	S	C	.	.	H	α-helix	trans	-61.7	-43.3	177.2	171	0	0	0	0	111	L97 F159 L160 F165 A166 I167	L97-V163 HydrophobicContact CD1-CB 4.11Å; L97-V163 HydrophobicContact CD1-CG1 3.77Å; F159-V163 HydrophobicContact CD1-CG2 4.4Å; F159-V163 HydrophobicContact CD2-CG2 4.29Å; F159-V163 HydrophobicContact CE1-CG2 4Å; F159-V163 HydrophobicContact CE2-CG2 3.88Å; F159-V163 HydrophobicContact CZ-CG2 3.73Å; F159-V163 WeakPolarHBondContact O-CB 3.08Å; F159-V163 VanDerWaalsContact O-CG2 3.24Å; F159-V163 WeakPolarHBondContact O-CG2 3.48Å; F159-V163 PolarHBondContact O-N 3.35Å; L160-V163 PolarHBondContact O-N 2.87Å; V163-F165 PolarHBondContact O-N 3.48Å; V163-A166 WeakPolarHBondContact O-CB 3.47Å; V163-A166 PolarHBondContact O-N 2.91Å; V163-I167 HydrophobicContact CG1-CD1 3.85Å; V163-I167 HydrophobicContact CG1-CG1 4.43Å; V163-I167 VanDerWaalsContact O-CG1 3.28Å; V163-I167 WeakPolarHBondContact O-CG1 3.4Å; V163-I167 PolarHBondContact O-N 3.22Å
164	G	94.9	Very high	91.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.7	-47.2	176.1	0	0	0	0	0	111.9	L97 F101 L160 E161 L162 A166 I167 A168	L97-G164 WeakPolarHBondContact O-CA 3.22Å; F101-G164 VanDerWaalsContact CA-O 3.29Å; F101-G164 WeakPolarHBondContact CA-O 3.18Å; L160-G164 PolarHBondContact O-N 3.19Å; E161-G164 PolarHBondContact O-N 3.48Å; L162-G164 VanDerWaalsContact C-N 3.35Å; L162-G164 PolarHBondContact O-N 2.82Å; G164-A166 VanDerWaalsContact C-N 3.35Å; G164-A166 PolarHBondContact O-N 2.97Å; G164-I167 PolarHBondContact O-N 3.3Å; G164-A168 PolarHBondContact O-N 3.43Å
165	F	95.1	Very high	91.7	Very high	7 Å²	7	53.2 Å²	53.2	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-63.5	-39.8	177.7	-168.2	-83.4	0	0	0	112.2	G100 G104 C107 F108 E161 L162 V163 A168 S169 I180 V184 L229 F232	G100-F165 WeakPolarHBondContact O-CA 3.21Å; G100-F165 PolarHBondContact O-N 2.88Å; G104-F165 VanDerWaalsContact CA-CD2 3.47Å; C107-F165 HydrophobicContact CB-CE2 4.42Å; C107-F165 HydrophobicContact CB-CZ 4.48Å; F108-F165 HydrophobicContact CE2-CE1 4.24Å; F108-F165 HydrophobicContact CE2-CZ 4.31Å; F108-F165 AromaticContact CZ-CE1 3.67Å; F108-F165 HydrophobicContact CZ-CE1 3.67Å; F108-F165 AromaticContact CZ-CZ 3.77Å; F108-F165 HydrophobicContact CZ-CZ 3.77Å; E161-F165 WeakPolarHBondContact O-CB 3.33Å; E161-F165 PolarHBondContact O-N 3.22Å; L162-F165 PolarHBondContact O-N 3.28Å; V163-F165 PolarHBondContact O-N 3.48Å; F165-A168 WeakPolarHBondContact O-CB 3.32Å; F165-A168 PolarHBondContact O-N 2.77Å; F165-S169 PolarHBondContact O-N 3.26Å; F165-I180 HydrophobicContact CD1-CG2 4.5Å; F165-I180 HydrophobicContact CE1-CG2 4.08Å; F165-V184 HydrophobicContact CD1-CG2 3.58Å; F165-V184 HydrophobicContact CE1-CG2 4.14Å; F165-L229 HydrophobicContact CZ-CD1 4.13Å; F165-F232 HydrophobicContact CB-CE1 4.17Å; F165-F232 HydrophobicContact CB-CE2 3.7Å; F165-F232 HydrophobicContact CB-CZ 3.46Å; F165-F232 VanDerWaalsContact CB-CZ 3.46Å; F165-F232 HydrophobicContact CD1-CE1 4.02Å; F165-F232 HydrophobicContact CD1-CZ 4.18Å; F165-F232 AromaticContact CD2-CD1 3.78Å; F165-F232 HydrophobicContact CD2-CD1 3.78Å; F165-F232 AromaticContact CD2-CD2 3.77Å; F165-F232 HydrophobicContact CD2-CD2 3.77Å; F165-F232 AromaticContact CD2-CE1 3.77Å; F165-F232 HydrophobicContact CD2-CE1 3.77Å; F165-F232 AromaticContact CD2-CE2 3.74Å; F165-F232 HydrophobicContact CD2-CE2 3.74Å; F165-F232 AromaticContact CD2-CG 3.76Å; F165-F232 HydrophobicContact CD2-CG 3.76Å; F165-F232 AromaticContact CD2-CZ 3.74Å; F165-F232 HydrophobicContact CD2-CZ 3.74Å; F165-F232 HydrophobicContact CE1-CE1 4.34Å; F165-F232 HydrophobicContact CE2-CB 4.3Å; F165-F232 AromaticContact CE2-CD1 3.77Å; F165-F232 HydrophobicContact CE2-CD1 3.77Å; F165-F232 HydrophobicContact CE2-CD2 4.35Å; F165-F232 HydrophobicContact CE2-CE1 4.11Å; F165-F232 AromaticContact CE2-CG 3.88Å; F165-F232 HydrophobicContact CE2-CG 3.88Å; F165-F232 HydrophobicContact CG-CD1 4.21Å; F165-F232 HydrophobicContact CG-CD2 4.39Å; F165-F232 AromaticContact CG-CE1 3.72Å; F165-F232 HydrophobicContact CG-CE1 3.72Å; F165-F232 AromaticContact CG-CE2 3.91Å; F165-F232 HydrophobicContact CG-CE2 3.91Å; F165-F232 AromaticContact CG-CZ 3.53Å; F165-F232 HydrophobicContact CG-CZ 3.53Å; F165-F232 HydrophobicContact CZ-CD1 4.2Å; F165-F232 HydrophobicContact CZ-CE1 4.39Å
166	A	95.2	Very high	91.6	Very high	17 Å²	17	53.9 Å²	53.9	14%	0.14	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-43.1	174	0	0	0	0	0	111.9	L162 V163 G164 A168 S169 I181 V184	L162-A166 WeakPolarHBondContact O-CB 3.44Å; L162-A166 PolarHBondContact O-N 3.31Å; V163-A166 WeakPolarHBondContact O-CB 3.47Å; V163-A166 PolarHBondContact O-N 2.91Å; G164-A166 VanDerWaalsContact C-N 3.35Å; G164-A166 PolarHBondContact O-N 2.97Å; A166-A168 VanDerWaalsContact C-N 3.32Å; A166-A168 PolarHBondContact O-N 3.23Å; A166-S169 WeakPolarHBondContact O-CB 3.45Å; A166-S169 PolarHBondContact O-N 3.09Å; A166-S169 PolarHBondContact O-OG 3.28Å; A166-I181 HydrophobicContact CB-CG1 4.23Å; A166-V184 HydrophobicContact CB-CG1 4.32Å
167	I	94.2	Very high	91.8	Very high	77 Å²	77	49.9 Å²	49.9	40%	0.395	27%	0.267	S	S	.	.	H	α-helix	trans	-62.5	-40.8	176	-66.8	164.5	0	0	0	110.5	L97 F101 V163 G164 S169 T170	L97-I167 HydrophobicContact CD1-CD1 4.34Å; F101-I167 HydrophobicContact CD2-CB 4.27Å; F101-I167 HydrophobicContact CD2-CG2 3.9Å; F101-I167 HydrophobicContact CE2-CG2 3.96Å; V163-I167 HydrophobicContact CG1-CD1 3.85Å; V163-I167 HydrophobicContact CG1-CG1 4.43Å; V163-I167 VanDerWaalsContact O-CG1 3.28Å; V163-I167 WeakPolarHBondContact O-CG1 3.4Å; V163-I167 PolarHBondContact O-N 3.22Å; G164-I167 PolarHBondContact O-N 3.3Å; I167-S169 PolarHBondContact O-N 3.11Å; I167-T170 WeakPolarHBondContact O-CB 3.42Å; I167-T170 WeakPolarHBondContact O-CG2 3.41Å; I167-T170 PolarHBondContact O-N 2.93Å; I167-T170 PolarHBondContact O-OG1 2.89Å
168	A	92.2	Very high	92	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.1	-32	178.3	0	0	0	0	0	113	F101 L105 F108 G164 F165 A166 T170 T171	F101-A168 HydrophobicContact CD2-CB 3.82Å; F101-A168 HydrophobicContact CE2-CB 4.19Å; F101-A168 WeakPolarHBondContact O-CB 3.46Å; L105-A168 HydrophobicContact CG-CB 4.23Å; F108-A168 HydrophobicContact CE2-CB 4.46Å; G164-A168 PolarHBondContact O-N 3.43Å; F165-A168 WeakPolarHBondContact O-CB 3.32Å; F165-A168 PolarHBondContact O-N 2.77Å; A166-A168 VanDerWaalsContact C-N 3.32Å; A166-A168 PolarHBondContact O-N 3.23Å; A168-T170 PolarHBondContact O-N 3.24Å; A168-T171 WeakPolarHBondContact O-CG2 3.4Å; A168-T171 PolarHBondContact O-N 3.05Å; A168-T171 PolarHBondContact O-OG1 2.82Å
169	S	92.1	Very high	92	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-65.1	-19.6	177.7	80.2	0	0	0	0	113.7	F165 A166 I167 T171 M172 S177	F165-S169 PolarHBondContact O-N 3.26Å; A166-S169 WeakPolarHBondContact O-CB 3.45Å; A166-S169 PolarHBondContact O-N 3.09Å; A166-S169 PolarHBondContact O-OG 3.28Å; I167-S169 PolarHBondContact O-N 3.11Å; S169-T171 PolarHBondContact O-N 3.42Å; S169-M172 VanDerWaalsContact O-CB 3.32Å; S169-M172 WeakPolarHBondContact O-CB 3.47Å; S169-M172 WeakPolarHBondContact O-CG 3.33Å; S169-M172 PolarHBondContact O-N 2.76Å; S169-S177 WeakPolarHBondContact O-CB 3.43Å
170	T	89.8	Confident	92.1	Very high	88 Å²	88	46.1 Å²	46.1	54%	0.54	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-67.8	-12.9	178.5	65.9	0	0	0	0	113.5	I167 A168 M172	I167-T170 WeakPolarHBondContact O-CB 3.42Å; I167-T170 WeakPolarHBondContact O-CG2 3.41Å; I167-T170 PolarHBondContact O-N 2.93Å; I167-T170 PolarHBondContact O-OG1 2.89Å; A168-T170 PolarHBondContact O-N 3.24Å; T170-M172 PolarHBondContact O-N 3.36Å
171	T	85.9	Confident	92.1	Very high	76 Å²	76	47.3 Å²	47.3	47%	0.466	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-65.6	-15.3	168.8	58.1	0	0	0	0	113.1	L105 A168 S169	L105-T171 HydrophobicContact CD2-CG2 3.67Å; A168-T171 WeakPolarHBondContact O-CG2 3.4Å; A168-T171 PolarHBondContact O-N 3.05Å; A168-T171 PolarHBondContact O-OG1 2.82Å; S169-T171 PolarHBondContact O-N 3.42Å
172	M	86.4	Confident	92.2	Very high	38 Å²	38	48 Å²	48	19%	0.187	26%	0.259	C	S	.	.	S	Bend	trans	-96.3	167.5	178.7	-50.5	-167.2	65.8	0	0	112	F108 S169 T170 K176 I222	F108-M172 HydrophobicContact CB-CG 4.42Å; F108-M172 HydrophobicContact CB-SD 3.99Å; F108-M172 HydrophobicContact CD1-SD 3.64Å; F108-M172 HydrophobicContact CD2-SD 4.42Å; F108-M172 HydrophobicContact CE1-SD 4.28Å; F108-M172 HydrophobicContact CG-CG 4.48Å; F108-M172 HydrophobicContact CG-SD 3.75Å; S169-M172 VanDerWaalsContact O-CB 3.32Å; S169-M172 WeakPolarHBondContact O-CB 3.47Å; S169-M172 WeakPolarHBondContact O-CG 3.33Å; S169-M172 PolarHBondContact O-N 2.76Å; T170-M172 PolarHBondContact O-N 3.36Å; M172-K176 HydrophobicContact CB-CB 4.46Å; M172-K176 HydrophobicContact CE-CB 4.44Å; M172-K176 HydrophobicContact CE-CD 4.2Å; M172-I222 HydrophobicContact CE-CB 4.13Å; M172-I222 HydrophobicContact CE-CD1 3.43Å; M172-I222 VanDerWaalsContact CE-CD1 3.43Å; M172-I222 HydrophobicContact CE-CG1 3.48Å; M172-I222 VanDerWaalsContact CE-CG1 3.48Å; M172-I222 HydrophobicContact CE-CG2 3.56Å; M172-I222 HydrophobicContact SD-CD1 3.94Å; M172-I222 HydrophobicContact SD-CG2 4.26Å
173	L	87	Confident	92.2	Very high	134 Å²	134	48.4 Å²	48.4	70%	0.702	26%	0.261	S	S	*	.			trans	-51.2	142	170.9	-73.5	165.1	0	0	0	111.5	E175 K176 S177	L173-E175 VanDerWaalsContact C-N 3.28Å; L173-E175 PolarHBondContact O-N 2.92Å; L173-E175 VanDerWaalsContact O-N 3.15Å; L173-K176 PolarHBondContact O-N 3.33Å; L173-S177 PolarHBondContact O-N 3.2Å
174	V	88.3	Confident	92.2	Very high	114 Å²	114	46.6 Å²	46.6	69%	0.691	25%	0.25	S	S	*	.	H	α-helix	trans	-51.6	-42.6	-172.6	179.9	0	0	0	0	113	K176 S177 M178	V174-K176 PolarHBondContact O-N 3.22Å; V174-S177 WeakPolarHBondContact CA-OG 3.08Å; V174-S177 PolarHBondContact O-N 3.3Å; V174-S177 PolarHBondContact O-OG 3.1Å; V174-M178 HydrophobicContact CG1-CG 4.35Å; V174-M178 WeakPolarHBondContact O-CB 3.46Å; V174-M178 WeakPolarHBondContact O-CG 3.42Å; V174-M178 PolarHBondContact O-N 3.01Å
175	E	87.1	Confident	92.3	Very high	146 Å²	146	51 Å²	51	68%	0.682	27%	0.272	S	S	*	.	H	α-helix	trans	-63.4	-42.5	179.2	-173.5	-174.4	174.4	0	0	112.6	L173 S179	L173-E175 VanDerWaalsContact C-N 3.28Å; L173-E175 PolarHBondContact O-N 2.92Å; L173-E175 VanDerWaalsContact O-N 3.15Å; E175-S179 PolarHBondContact O-N 3.4Å; E175-S179 PolarHBondContact O-OG 3.03Å; E175-S179 VanDerWaalsContact O-OG 3.08Å
176	K	89.8	Confident	92.4	Very high	58 Å²	58	50.6 Å²	50.6	25%	0.252	27%	0.27	S	S	.	.	H	α-helix	trans	-71.3	-42	179.2	-63	-168.7	-178.1	-160.3	0	110.8	M172 L173 V174 S179 I180 L220 I222	M172-K176 HydrophobicContact CB-CB 4.46Å; M172-K176 HydrophobicContact CE-CB 4.44Å; M172-K176 HydrophobicContact CE-CD 4.2Å; L173-K176 PolarHBondContact O-N 3.33Å; V174-K176 PolarHBondContact O-N 3.22Å; K176-S179 WeakPolarHBondContact O-CB 3.46Å; K176-S179 PolarHBondContact O-N 3.27Å; K176-I180 WeakPolarHBondContact O-CG1 3.29Å; K176-I180 PolarHBondContact O-N 3.34Å; K176-I180 VanDerWaalsContact O-N 3.1Å; K176-L220 WeakPolarHBondContact CE-O 3.34Å; K176-L220 HydrophobicContact CG-CD2 4.35Å; K176-L220 PolarHBondContact NZ-O 3.17Å; K176-I222 HydrophobicContact CB-CD1 4.27Å; K176-I222 HydrophobicContact CD-CD1 4.17Å; K176-I222 HydrophobicContact CD-CG1 3.93Å
177	S	92.5	Very high	92.5	Very high	9 Å²	9	50.1 Å²	50.1	6%	0.063	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-42.5	178	69	0	0	0	0	111.4	S169 L173 V174 S179 I180 I181	S169-S177 WeakPolarHBondContact O-CB 3.43Å; L173-S177 PolarHBondContact O-N 3.2Å; V174-S177 WeakPolarHBondContact CA-OG 3.08Å; V174-S177 PolarHBondContact O-N 3.3Å; V174-S177 PolarHBondContact O-OG 3.1Å; S177-S179 VanDerWaalsContact C-N 3.32Å; S177-S179 PolarHBondContact O-N 3.18Å; S177-I180 PolarHBondContact O-N 3.25Å; S177-I181 VanDerWaalsContact O-CG1 3.29Å; S177-I181 WeakPolarHBondContact O-CG1 3.49Å; S177-I181 PolarHBondContact O-N 3.45Å
178	M	93.3	Very high	92.6	Very high	89 Å²	89	47 Å²	47	44%	0.438	25%	0.251	S	S	.	.	H	α-helix	trans	-59.4	-41.3	174.5	-73	-58	-62.8	0	0	112.6	V174 I180 I181 L182	V174-M178 HydrophobicContact CG1-CG 4.35Å; V174-M178 WeakPolarHBondContact O-CB 3.46Å; V174-M178 WeakPolarHBondContact O-CG 3.42Å; V174-M178 PolarHBondContact O-N 3.01Å; M178-I180 PolarHBondContact O-N 3.38Å; M178-I181 PolarHBondContact O-N 2.86Å; M178-I181 HydrophobicContact SD-CD1 4.33Å; M178-L182 WeakPolarHBondContact O-CG 3.35Å; M178-L182 PolarHBondContact O-N 3.41Å
179	S	94.1	Very high	92.7	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-42.3	176.3	-60.3	0	0	0	0	112.1	E175 K176 S177 L182 L183 F216 I384 S387	E175-S179 PolarHBondContact O-N 3.4Å; E175-S179 PolarHBondContact O-OG 3.03Å; E175-S179 VanDerWaalsContact O-OG 3.08Å; K176-S179 WeakPolarHBondContact O-CB 3.46Å; K176-S179 PolarHBondContact O-N 3.27Å; S177-S179 VanDerWaalsContact C-N 3.32Å; S177-S179 PolarHBondContact O-N 3.18Å; S179-L182 PolarHBondContact O-N 3.29Å; S179-L183 PolarHBondContact O-N 3.22Å; S179-F216 WeakPolarHBondContact O-CZ 3.14Å; S179-I384 WeakPolarHBondContact OG-CG1 3.42Å; S179-S387 PolarHBondContact O-OG 2.6Å
180	I	94.8	Very high	92.9	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-66.6	-44.8	176.2	-62.4	-56.7	0	0	0	111.4	F108 F165 K176 S177 M178 L182 L183 V184 F216 F217 L220 I222	F108-I180 HydrophobicContact CE1-CD1 4.18Å; F108-I180 HydrophobicContact CE1-CG1 4.22Å; F108-I180 HydrophobicContact CE1-CG2 4.42Å; F108-I180 HydrophobicContact CE2-CG2 4.49Å; F108-I180 HydrophobicContact CZ-CG1 4.29Å; F108-I180 HydrophobicContact CZ-CG2 3.72Å; F165-I180 HydrophobicContact CD1-CG2 4.5Å; F165-I180 HydrophobicContact CE1-CG2 4.08Å; K176-I180 WeakPolarHBondContact O-CG1 3.29Å; K176-I180 PolarHBondContact O-N 3.34Å; K176-I180 VanDerWaalsContact O-N 3.1Å; S177-I180 PolarHBondContact O-N 3.25Å; M178-I180 PolarHBondContact O-N 3.38Å; I180-L182 VanDerWaalsContact C-N 3.26Å; I180-L182 PolarHBondContact O-N 2.96Å; I180-L183 WeakPolarHBondContact O-CA 3.49Å; I180-L183 WeakPolarHBondContact O-CB 3.46Å; I180-L183 PolarHBondContact O-N 3.42Å; I180-V184 HydrophobicContact CG2-CG2 4.35Å; I180-V184 WeakPolarHBondContact O-CG2 3.4Å; I180-V184 PolarHBondContact O-N 3.4Å; I180-F216 HydrophobicContact CD1-CE1 3.68Å; I180-F216 HydrophobicContact CD1-CZ 4.03Å; I180-F217 HydrophobicContact CD1-CE1 4.06Å; I180-L220 HydrophobicContact CD1-CD1 3.95Å; I180-I222 HydrophobicContact CD1-CD1 4.44Å
181	I	95.9	Very high	93.2	Very high	51 Å²	51	44.5 Å²	44.5	26%	0.262	23%	0.233	S	C	.	.	H	α-helix	trans	-57.2	-43.9	177.8	-68.2	166.2	0	0	0	110.1	A166 S177 M178 L183 V184 M185	A166-I181 HydrophobicContact CB-CG1 4.23Å; S177-I181 VanDerWaalsContact O-CG1 3.29Å; S177-I181 WeakPolarHBondContact O-CG1 3.49Å; S177-I181 PolarHBondContact O-N 3.45Å; M178-I181 PolarHBondContact O-N 2.86Å; M178-I181 HydrophobicContact SD-CD1 4.33Å; I181-L183 PolarHBondContact O-N 3.36Å; I181-V184 WeakPolarHBondContact O-CB 3.44Å; I181-V184 PolarHBondContact O-N 3.07Å; I181-M185 WeakPolarHBondContact O-CG 3.32Å; I181-M185 PolarHBondContact O-N 3.01Å
182	L	96.3	Very high	93.6	Very high	46 Å²	46	42.1 Å²	42.1	24%	0.241	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-35.6	175.6	-68.3	171.4	0	0	0	112.5	M178 S179 I180 V184 M185 A186 I384 S387 I391	M178-L182 WeakPolarHBondContact O-CG 3.35Å; M178-L182 PolarHBondContact O-N 3.41Å; S179-L182 PolarHBondContact O-N 3.29Å; I180-L182 VanDerWaalsContact C-N 3.26Å; I180-L182 PolarHBondContact O-N 2.96Å; L182-V184 VanDerWaalsContact C-N 3.35Å; L182-M185 WeakPolarHBondContact O-CB 3.47Å; L182-M185 PolarHBondContact O-N 2.62Å; L182-A186 PolarHBondContact O-N 3.24Å; L182-I384 HydrophobicContact CD1-CB 4.35Å; L182-I384 HydrophobicContact CD1-CG1 4.5Å; L182-I384 HydrophobicContact CD1-CG2 3.69Å; L182-S387 VanDerWaalsContact CB-CB 3.41Å; L182-I391 HydrophobicContact CB-CD1 4.34Å; L182-I391 HydrophobicContact CD2-CD1 4.02Å
183	L	95.9	Very high	94	Very high	15 Å²	15	40.3 Å²	40.3	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-38.8	174.1	-173.8	75.4	0	0	0	111.6	S179 I180 I181 M185 A186 L187 F208 F216 F217 S387 L390	S179-L183 PolarHBondContact O-N 3.22Å; I180-L183 WeakPolarHBondContact O-CA 3.49Å; I180-L183 WeakPolarHBondContact O-CB 3.46Å; I180-L183 PolarHBondContact O-N 3.42Å; I181-L183 PolarHBondContact O-N 3.36Å; L183-M185 VanDerWaalsContact C-N 3.31Å; L183-M185 PolarHBondContact O-N 2.97Å; L183-A186 WeakPolarHBondContact O-CB 3.32Å; L183-A186 PolarHBondContact O-N 3.47Å; L183-L187 PolarHBondContact O-N 2.94Å; L183-F208 HydrophobicContact CD1-CE2 3.88Å; L183-F208 HydrophobicContact CD1-CZ 3.85Å; L183-F208 HydrophobicContact CG-CE2 4.48Å; L183-F208 HydrophobicContact CG-CZ 4.1Å; L183-F216 HydrophobicContact CB-CE1 4.15Å; L183-F216 HydrophobicContact CB-CE2 4.38Å; L183-F216 HydrophobicContact CB-CZ 3.82Å; L183-F216 HydrophobicContact CD1-CD1 4.44Å; L183-F216 HydrophobicContact CD1-CE1 4.44Å; L183-F216 HydrophobicContact CD1-CG 4.46Å; L183-F216 HydrophobicContact CD1-CZ 4.45Å; L183-F216 HydrophobicContact CD2-CD1 3.77Å; L183-F216 HydrophobicContact CD2-CE1 3.47Å; L183-F216 VanDerWaalsContact CD2-CE1 3.47Å; L183-F216 HydrophobicContact CD2-CZ 4.04Å; L183-F216 HydrophobicContact CG-CE1 4.21Å; L183-F216 HydrophobicContact CG-CZ 4.3Å; L183-F217 HydrophobicContact CD2-CE2 4.22Å; L183-F217 HydrophobicContact CD2-CZ 3.82Å; L183-S387 PolarHBondContact N-OG 3.07Å; L183-L390 HydrophobicContact CD1-CD1 3.77Å
184	V	96.4	Very high	94.2	Very high	10 Å²	10	33.9 Å²	33.9	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-39.9	174.5	174.1	0	0	0	0	110.5	L162 F165 A166 I180 I181 L182 A186 L187 A188	L162-V184 HydrophobicContact CB-CG1 3.78Å; L162-V184 HydrophobicContact CD2-CG1 3.67Å; L162-V184 HydrophobicContact CG-CG1 4.32Å; L162-V184 WeakPolarHBondContact O-CG1 3.33Å; F165-V184 HydrophobicContact CD1-CG2 3.58Å; F165-V184 HydrophobicContact CE1-CG2 4.14Å; A166-V184 HydrophobicContact CB-CG1 4.32Å; I180-V184 HydrophobicContact CG2-CG2 4.35Å; I180-V184 WeakPolarHBondContact O-CG2 3.4Å; I180-V184 PolarHBondContact O-N 3.4Å; I181-V184 WeakPolarHBondContact O-CB 3.44Å; I181-V184 PolarHBondContact O-N 3.07Å; L182-V184 VanDerWaalsContact C-N 3.35Å; V184-A186 VanDerWaalsContact C-N 3.34Å; V184-L187 WeakPolarHBondContact O-CB 3.16Å; V184-L187 PolarHBondContact O-N 3.06Å; V184-A188 PolarHBondContact O-N 2.95Å
185	M	96.1	Very high	94.3	Very high	91 Å²	91	30.1 Å²	30.1	45%	0.448	15%	0.148	S	C	.	.	H	α-helix	trans	-62.9	-39.8	172.5	-70.1	-60.5	-61.7	0	0	112	I181 L182 L183 A188 M189 I391	I181-M185 WeakPolarHBondContact O-CG 3.32Å; I181-M185 PolarHBondContact O-N 3.01Å; L182-M185 WeakPolarHBondContact O-CB 3.47Å; L182-M185 PolarHBondContact O-N 2.62Å; L183-M185 VanDerWaalsContact C-N 3.31Å; L183-M185 PolarHBondContact O-N 2.97Å; M185-A188 WeakPolarHBondContact O-CB 3.45Å; M185-A188 PolarHBondContact O-N 3.41Å; M185-M189 WeakPolarHBondContact O-CG 2.98Å; M185-M189 PolarHBondContact O-N 3.09Å; M185-I391 HydrophobicContact CB-CD1 4.04Å; M185-I391 HydrophobicContact CB-CG1 4.43Å
186	A	97	Very high	94.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.6	-43	173.4	0	0	0	0	0	111.9	L182 L183 V184 A188 M189 L190 F208 L390 I391	L182-A186 PolarHBondContact O-N 3.24Å; L183-A186 WeakPolarHBondContact O-CB 3.32Å; L183-A186 PolarHBondContact O-N 3.47Å; V184-A186 VanDerWaalsContact C-N 3.34Å; A186-A188 VanDerWaalsContact C-N 3.32Å; A186-A188 PolarHBondContact O-N 3.4Å; A186-M189 PolarHBondContact O-N 2.93Å; A186-L190 PolarHBondContact O-N 3.44Å; A186-F208 HydrophobicContact CB-CD2 4.38Å; A186-F208 HydrophobicContact CB-CE2 3.74Å; A186-L390 HydrophobicContact CB-CB 3.77Å; A186-L390 WeakPolarHBondContact CB-O 3.46Å; A186-I391 HydrophobicContact CB-CG1 3.7Å
187	L	96.8	Very high	94.4	Very high	7 Å²	7	22.1 Å²	22.1	4%	0.037	11%	0.111	C	C	.	.	H	α-helix	trans	-61.9	-39.9	175.2	-178.4	59.6	0	0	0	111.7	L162 L183 V184 L190 I191 F208 F232 F233 L236 I237	L162-L187 HydrophobicContact CD2-CB 4.33Å; L162-L187 HydrophobicContact CD2-CD2 3.8Å; L162-L187 HydrophobicContact CD2-CG 4.07Å; L183-L187 PolarHBondContact O-N 2.94Å; V184-L187 WeakPolarHBondContact O-CB 3.16Å; V184-L187 PolarHBondContact O-N 3.06Å; L187-L190 HydrophobicContact CD1-CD2 4.35Å; L187-L190 PolarHBondContact O-N 3.41Å; L187-I191 HydrophobicContact CG-CD1 4.2Å; L187-I191 WeakPolarHBondContact O-CG1 3.26Å; L187-I191 PolarHBondContact O-N 2.96Å; L187-F208 HydrophobicContact CB-CE2 4.33Å; L187-F208 HydrophobicContact CB-CZ 3.87Å; L187-F208 HydrophobicContact CD1-CE1 4.11Å; L187-F208 HydrophobicContact CD1-CZ 4.2Å; L187-F232 HydrophobicContact CD2-CD1 4.42Å; L187-F232 HydrophobicContact CD2-CE1 3.79Å; L187-F233 HydrophobicContact CD1-CD2 3.89Å; L187-F233 HydrophobicContact CD1-CE2 3.92Å; L187-L236 HydrophobicContact CD2-CD1 4.03Å; L187-I237 HydrophobicContact CD1-CD1 3.82Å; L187-I237 HydrophobicContact CD1-CG1 4.31Å
188	A	96.4	Very high	94.1	Very high	11 Å²	11	22 Å²	22	9%	0.091	11%	0.111	C	C	.	.	H	α-helix	trans	-60.2	-45.6	174.6	0	0	0	0	0	111.6	L162 V184 M185 A186 L190 I191 I192	L162-A188 HydrophobicContact CD1-CB 3.83Å; V184-A188 PolarHBondContact O-N 2.95Å; M185-A188 WeakPolarHBondContact O-CB 3.45Å; M185-A188 PolarHBondContact O-N 3.41Å; A186-A188 VanDerWaalsContact C-N 3.32Å; A186-A188 PolarHBondContact O-N 3.4Å; A188-L190 VanDerWaalsContact C-N 3.33Å; A188-L190 PolarHBondContact O-N 3.39Å; A188-I191 PolarHBondContact O-N 3.37Å; A188-I192 VanDerWaalsContact O-CG1 3.31Å; A188-I192 WeakPolarHBondContact O-CG1 3.22Å; A188-I192 PolarHBondContact O-N 3.36Å; A188-I192 VanDerWaalsContact O-N 3.11Å
189	M	95.9	Very high	93.6	Very high	36 Å²	36	24.3 Å²	24.3	18%	0.177	12%	0.118	C	C	.	.	H	α-helix	trans	-63.4	-39.5	176.8	-65.1	-58.1	172.5	0	0	111.9	M185 A186 I192 D193 I391 P394 M398	M185-M189 WeakPolarHBondContact O-CG 2.98Å; M185-M189 PolarHBondContact O-N 3.09Å; A186-M189 PolarHBondContact O-N 2.93Å; M189-I192 PolarHBondContact O-N 2.96Å; M189-I192 HydrophobicContact SD-CD1 4.3Å; M189-D193 WeakPolarHBondContact O-CB 3.5Å; M189-D193 PolarHBondContact O-N 3.2Å; M189-I391 HydrophobicContact CG-CG2 4.29Å; M189-P394 HydrophobicContact CB-CB 4.03Å; M189-M398 HydrophobicContact SD-CE 4.11Å
190	L	95.9	Very high	93.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.3	-40.6	175.6	179.2	65.7	0	0	0	112.8	A186 L187 A188 I192 D193 L194 N204 L205 F208 I237 P394	A186-L190 PolarHBondContact O-N 3.44Å; L187-L190 HydrophobicContact CD1-CD2 4.35Å; L187-L190 PolarHBondContact O-N 3.41Å; A188-L190 VanDerWaalsContact C-N 3.33Å; A188-L190 PolarHBondContact O-N 3.39Å; L190-I192 VanDerWaalsContact C-N 3.33Å; L190-D193 WeakPolarHBondContact O-CB 3.24Å; L190-D193 PolarHBondContact O-N 2.97Å; L190-L194 HydrophobicContact CG-CD1 4.36Å; L190-L194 WeakPolarHBondContact O-CG 3.47Å; L190-L194 PolarHBondContact O-N 3.28Å; L190-N204 HydrophobicContact CD1-CB 3.86Å; L190-L205 HydrophobicContact CD1-CB 4.15Å; L190-L205 HydrophobicContact CD2-CD1 3.81Å; L190-F208 HydrophobicContact CD2-CB 3.77Å; L190-F208 HydrophobicContact CD2-CD1 3.99Å; L190-F208 HydrophobicContact CD2-CD2 4.21Å; L190-F208 HydrophobicContact CD2-CG 3.72Å; L190-I237 HydrophobicContact CD2-CD1 4.48Å; L190-P394 HydrophobicContact CB-CG 4.46Å
191	I	95.6	Very high	93	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-44	175.6	-70.7	164.4	0	0	0	110.4	L154 L162 L187 A188 D193 L194 R195 L236 P240	L154-I191 HydrophobicContact CD1-CB 4.21Å; L154-I191 HydrophobicContact CD1-CG2 3.65Å; L162-I191 HydrophobicContact CD1-CD1 4.27Å; L187-I191 HydrophobicContact CG-CD1 4.2Å; L187-I191 WeakPolarHBondContact O-CG1 3.26Å; L187-I191 PolarHBondContact O-N 2.96Å; A188-I191 PolarHBondContact O-N 3.37Å; I191-D193 VanDerWaalsContact C-N 3.34Å; I191-L194 PolarHBondContact O-N 3.08Å; I191-R195 WeakPolarHBondContact O-CB 3.33Å; I191-R195 PolarHBondContact O-N 2.9Å; I191-L236 HydrophobicContact CD1-CB 4.16Å; I191-P240 HydrophobicContact CG2-CB 4.48Å; I191-P240 HydrophobicContact CG2-CG 4.2Å
192	I	94.8	Very high	92.8	Very high	25 Å²	25	27.1 Å²	27.1	13%	0.128	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-44	176.6	-59.7	165.3	0	0	0	109.9	L153 A188 M189 L190 L194 R195 M196 M398	L153-I192 HydrophobicContact CB-CG1 4.38Å; L153-I192 HydrophobicContact CB-CG2 4.21Å; L153-I192 HydrophobicContact CD2-CG2 3.9Å; A188-I192 VanDerWaalsContact O-CG1 3.31Å; A188-I192 WeakPolarHBondContact O-CG1 3.22Å; A188-I192 PolarHBondContact O-N 3.36Å; A188-I192 VanDerWaalsContact O-N 3.11Å; M189-I192 PolarHBondContact O-N 2.96Å; M189-I192 HydrophobicContact SD-CD1 4.3Å; L190-I192 VanDerWaalsContact C-N 3.33Å; I192-L194 PolarHBondContact O-N 3.06Å; I192-R195 PolarHBondContact O-N 3.3Å; I192-R195 VanDerWaalsContact O-N 3.16Å; I192-M196 HydrophobicContact CG2-CG 4.33Å; I192-M196 WeakPolarHBondContact O-CG 3.47Å; I192-M196 PolarHBondContact O-N 3.22Å; I192-M398 HydrophobicContact CB-SD 3.87Å; I192-M398 HydrophobicContact CG2-SD 3.42Å; I192-M398 WeakPolarHBondContact CG2-SD 3.24Å
193	D	93.8	Very high	92.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.9	-45.5	179.1	-162.8	32	0	0	0	112	M189 L190 I191 M196 K197 S198 A201 N204 P394 S397 M398	M189-D193 WeakPolarHBondContact O-CB 3.5Å; M189-D193 PolarHBondContact O-N 3.2Å; L190-D193 WeakPolarHBondContact O-CB 3.24Å; L190-D193 PolarHBondContact O-N 2.97Å; I191-D193 VanDerWaalsContact C-N 3.34Å; D193-M196 PolarHBondContact O-N 3.21Å; D193-K197 PolarHBondContact O-N 3.31Å; D193-K197 VanDerWaalsContact O-N 3.15Å; D193-S198 PolarHBondContact O-N 3.36Å; D193-S198 WeakPolarHBondContact OD1-CB 3.37Å; D193-S198 PolarHBondContact OD1-OG 3.38Å; D193-S198 PolarHBondContact OD2-OG 3.41Å; D193-A201 WeakPolarHBondContact OD2-CA 3.46Å; D193-N204 PolarHBondContact OD2-ND2 3.5Å; D193-P394 HydrophobicContact CB-CB 4.21Å; D193-S397 PolarHBondContact OD1-OG 2.82Å; D193-S397 PolarHBondContact OD2-OG 3.25Å; D193-M398 HydrophobicContact CB-CG 3.81Å; D193-M398 HydrophobicContact CB-SD 4.35Å; D193-M398 WeakPolarHBondContact OD1-CG 3.39Å
194	L	91.8	Very high	92.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-41.9	174.2	-74.2	166.9	0	0	0	112.4	L190 I191 I192 K197 A201 I202 L205 I237 P240 L241 V244	L190-L194 HydrophobicContact CG-CD1 4.36Å; L190-L194 WeakPolarHBondContact O-CG 3.47Å; L190-L194 PolarHBondContact O-N 3.28Å; I191-L194 PolarHBondContact O-N 3.08Å; I192-L194 PolarHBondContact O-N 3.06Å; L194-K197 VanDerWaalsContact O-CA 3.32Å; L194-K197 WeakPolarHBondContact O-CA 3.42Å; L194-K197 PolarHBondContact O-N 3.24Å; L194-A201 HydrophobicContact CD2-CB 3.96Å; L194-A201 HydrophobicContact CG-CB 4.38Å; L194-I202 HydrophobicContact CD2-CD1 3.92Å; L194-L205 HydrophobicContact CD1-CD2 4.38Å; L194-L205 HydrophobicContact CD2-CD2 4.39Å; L194-I237 HydrophobicContact CD1-CG2 4.18Å; L194-P240 HydrophobicContact CB-CB 4Å; L194-L241 HydrophobicContact CD2-CD1 4.48Å; L194-V244 HydrophobicContact CD2-CG2 4.26Å
195	R	90.8	Very high	92.4	Very high	34 Å²	34	28.3 Å²	28.3	13%	0.128	14%	0.142	C	C	.	.	H	α-helix	trans	-69.7	-36	-178.4	-168.6	175.5	-66.6	-73.4	1.6	112.5	T152 L153 E158 I191 I192 K197 D243	T152-R195 WeakPolarHBondContact O-CD 3.46Å; L153-R195 WeakPolarHBondContact O-CD 3.42Å; E158-R195 IonicContact OE1-CZ 2.64Å; E158-R195 IonicContact OE1-NH2 3.8Å; E158-R195 PolarHBondContact OE1-NH2 3.04Å; E158-R195 IonicContact OE2-NH2 3.45Å; E158-R195 PolarHBondContact OE2-NH2 3.46Å; I191-R195 WeakPolarHBondContact O-CB 3.33Å; I191-R195 PolarHBondContact O-N 2.9Å; I192-R195 PolarHBondContact O-N 3.3Å; I192-R195 VanDerWaalsContact O-N 3.16Å; R195-K197 PolarHBondContact O-N 3.42Å; R195-D243 IonicContact NH1-OD2 3.57Å
196	M	88.9	Confident	92.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-69.9	-14.8	169.9	-63.4	-55.7	106.6	0	0	112	L153 I192 D193 S198 R254 W255	L153-M196 HydrophobicContact CD2-CE 3.82Å; L153-M196 HydrophobicContact CD2-SD 4.16Å; I192-M196 HydrophobicContact CG2-CG 4.33Å; I192-M196 WeakPolarHBondContact O-CG 3.47Å; I192-M196 PolarHBondContact O-N 3.22Å; D193-M196 PolarHBondContact O-N 3.21Å; M196-S198 VanDerWaalsContact C-N 3.26Å; M196-S198 PolarHBondContact O-N 2.94Å; M196-R254 PolarHBondContact O-NH1 3.44Å; M196-R254 PolarHBondContact O-NH2 3.08Å; M196-W255 HydrophobicContact CB-CH2 4Å; M196-W255 HydrophobicContact CB-CZ2 3.63Å; M196-W255 HydrophobicContact CG-CD2 4.3Å; M196-W255 HydrophobicContact CG-CE3 4.21Å; M196-W255 HydrophobicContact CG-CH2 3.78Å; M196-W255 HydrophobicContact CG-CZ2 3.86Å; M196-W255 HydrophobicContact CG-CZ3 3.96Å; M196-W255 HydrophobicContact SD-CD2 3.73Å; M196-W255 HydrophobicContact SD-CE3 3.74Å; M196-W255 HydrophobicContact SD-CG 4.25Å; M196-W255 HydrophobicContact SD-CH2 4.39Å; M196-W255 HydrophobicContact SD-CZ2 4.38Å; M196-W255 HydrophobicContact SD-CZ3 4.09Å
197	K	88.6	Confident	92.1	Very high	35 Å²	35	30.3 Å²	30.3	15%	0.152	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	42.2	-173	-33.1	-175.7	-172.7	-173.4	0	112.6	D193 L194 R195 D243 V244 S247 E405	D193-K197 PolarHBondContact O-N 3.31Å; D193-K197 VanDerWaalsContact O-N 3.15Å; L194-K197 VanDerWaalsContact O-CA 3.32Å; L194-K197 WeakPolarHBondContact O-CA 3.42Å; L194-K197 PolarHBondContact O-N 3.24Å; R195-K197 PolarHBondContact O-N 3.42Å; K197-D243 WeakPolarHBondContact CE-O 3.44Å; K197-D243 PolarHBondContact NZ-O 3.22Å; K197-V244 HydrophobicContact CB-CG1 4.5Å; K197-V244 HydrophobicContact CD-CG1 4.41Å; K197-V244 WeakPolarHBondContact CD-O 3.15Å; K197-V244 WeakPolarHBondContact CE-O 3.11Å; K197-V244 HydrophobicContact CG-CG2 4.43Å; K197-V244 PolarHBondContact NZ-O 2.8Å; K197-S247 PolarHBondContact NZ-O 2.84Å; K197-E405 VanDerWaalsContact O-OE1 3.08Å
198	S	86.4	Confident	92.1	Very high	7 Å²	7	30.4 Å²	30.4	5%	0.049	16%	0.164	C	C	.	.			trans	-54.2	153.1	176.2	79.2	0	0	0	0	110.7	D193 M196 L200 A201 S397	D193-S198 PolarHBondContact O-N 3.36Å; D193-S198 WeakPolarHBondContact OD1-CB 3.37Å; D193-S198 PolarHBondContact OD1-OG 3.38Å; D193-S198 PolarHBondContact OD2-OG 3.41Å; M196-S198 VanDerWaalsContact C-N 3.26Å; M196-S198 PolarHBondContact O-N 2.94Å; S198-L200 PolarHBondContact O-N 2.9Å; S198-L200 VanDerWaalsContact O-N 3.11Å; S198-A201 WeakPolarHBondContact O-CB 3.49Å; S198-A201 PolarHBondContact O-N 3.4Å; S198-A201 VanDerWaalsContact O-N 3.16Å; S198-A201 WeakPolarHBondContact OG-CB 3.46Å; S198-A201 PolarHBondContact OG-N 2.81Å; S198-S397 PolarHBondContact OG-OG 2.91Å
199	F	83.1	Confident	92	Very high	137 Å²	137	31.1 Å²	31.1	60%	0.601	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-31.3	-176.9	-178.5	-104.2	0	0	0	113.3
200	L	87.6	Confident	91.9	Very high	27 Å²	27	31.5 Å²	31.5	14%	0.141	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	7.3	-176.4	-60.7	173.2	0	0	0	113.8	S198 I202 P203 N204 L367 S397	S198-L200 PolarHBondContact O-N 2.9Å; S198-L200 VanDerWaalsContact O-N 3.11Å; L200-I202 PolarHBondContact O-N 3.19Å; L200-P203 HydrophobicContact CD2-CG 4.47Å; L200-P203 VanDerWaalsContact O-CD 3.26Å; L200-P203 WeakPolarHBondContact O-CD 3.13Å; L200-N204 WeakPolarHBondContact O-CB 3.49Å; L200-N204 VanDerWaalsContact O-CG 3.29Å; L200-N204 PolarHBondContact O-N 3.22Å; L200-N204 PolarHBondContact O-ND2 3.18Å; L200-L367 HydrophobicContact CD1-CD1 3.48Å; L200-L367 VanDerWaalsContact CD1-CD1 3.48Å; L200-L367 HydrophobicContact CD1-CD2 4.22Å; L200-S397 WeakPolarHBondContact CB-OG 3.08Å
201	A	89.8	Confident	91.7	Very high	2 Å²	2	33.1 Å²	33.1	2%	0.017	19%	0.19	C	C	.	.	H	α-helix	trans	-60.3	-41.1	-177.6	0	0	0	0	0	114.2	D193 L194 S198 N204 L205	D193-A201 WeakPolarHBondContact OD2-CA 3.46Å; L194-A201 HydrophobicContact CD2-CB 3.96Å; L194-A201 HydrophobicContact CG-CB 4.38Å; S198-A201 WeakPolarHBondContact O-CB 3.49Å; S198-A201 PolarHBondContact O-N 3.4Å; S198-A201 VanDerWaalsContact O-N 3.16Å; S198-A201 WeakPolarHBondContact OG-CB 3.46Å; S198-A201 PolarHBondContact OG-N 2.81Å; A201-N204 PolarHBondContact O-N 2.94Å; A201-L205 WeakPolarHBondContact O-CB 3.47Å; A201-L205 PolarHBondContact O-N 3.48Å
202	I	90.1	Very high	91.6	Very high	85 Å²	85	33.5 Å²	33.5	44%	0.436	19%	0.193	S	C	.	.	H	α-helix	trans	-69.4	-46.4	178.8	-57.8	-62.5	0	0	0	111.7	L194 L200 N204 L205 A206 L241	L194-I202 HydrophobicContact CD2-CD1 3.92Å; L200-I202 PolarHBondContact O-N 3.19Å; I202-N204 VanDerWaalsContact C-N 3.31Å; I202-N204 PolarHBondContact O-N 3Å; I202-L205 WeakPolarHBondContact O-CB 3.03Å; I202-L205 PolarHBondContact O-N 2.92Å; I202-A206 PolarHBondContact O-N 2.94Å; I202-A206 VanDerWaalsContact O-N 3.08Å; I202-L241 HydrophobicContact CD1-CD1 3.7Å
203	P	92	Very high	91.4	Very high	62 Å²	62	35.6 Å²	35.6	40%	0.403	21%	0.21	S	C	.	.	H	α-helix	trans	-52.2	-45.8	167.4	-28.9	33.4	0	0	0	113.6	L200 L205 A206 I207	L200-P203 HydrophobicContact CD2-CG 4.47Å; L200-P203 VanDerWaalsContact O-CD 3.26Å; L200-P203 WeakPolarHBondContact O-CD 3.13Å; P203-L205 VanDerWaalsContact C-N 3.32Å; P203-L205 PolarHBondContact O-N 3.08Å; P203-A206 PolarHBondContact O-N 3Å; P203-I207 VanDerWaalsContact O-CG1 3.32Å; P203-I207 WeakPolarHBondContact O-CG1 3.37Å; P203-I207 PolarHBondContact O-N 3.2Å
204	N	93.8	Very high	91.2	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.053	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-38.5	178.4	-72.8	-22.4	0	0	0	112.5	L190 D193 L200 A201 I202 I207 F208 S397	L190-N204 HydrophobicContact CD1-CB 3.86Å; D193-N204 PolarHBondContact OD2-ND2 3.5Å; L200-N204 WeakPolarHBondContact O-CB 3.49Å; L200-N204 VanDerWaalsContact O-CG 3.29Å; L200-N204 PolarHBondContact O-N 3.22Å; L200-N204 PolarHBondContact O-ND2 3.18Å; A201-N204 PolarHBondContact O-N 2.94Å; I202-N204 VanDerWaalsContact C-N 3.31Å; I202-N204 PolarHBondContact O-N 3Å; N204-I207 PolarHBondContact O-N 3.31Å; N204-F208 VanDerWaalsContact O-CB 3.24Å; N204-F208 WeakPolarHBondContact O-CB 3.48Å; N204-F208 PolarHBondContact O-N 3.33Å; N204-S397 WeakPolarHBondContact ND2-CB 3.33Å; N204-S397 PolarHBondContact ND2-OG 3.04Å
205	L	94.8	Very high	91.2	Very high	24 Å²	24	44.9 Å²	44.9	13%	0.126	26%	0.259	C	S	.	.	H	α-helix	trans	-61.5	-44.5	174.6	174.1	61.7	0	0	0	111.6	L190 L194 A201 I202 P203 F208 G209 F233 I237 L241	L190-L205 HydrophobicContact CD1-CB 4.15Å; L190-L205 HydrophobicContact CD2-CD1 3.81Å; L194-L205 HydrophobicContact CD1-CD2 4.38Å; L194-L205 HydrophobicContact CD2-CD2 4.39Å; A201-L205 WeakPolarHBondContact O-CB 3.47Å; A201-L205 PolarHBondContact O-N 3.48Å; I202-L205 WeakPolarHBondContact O-CB 3.03Å; I202-L205 PolarHBondContact O-N 2.92Å; P203-L205 VanDerWaalsContact C-N 3.32Å; P203-L205 PolarHBondContact O-N 3.08Å; L205-F208 PolarHBondContact O-N 3.22Å; L205-G209 PolarHBondContact O-N 2.68Å; L205-F233 HydrophobicContact CD1-CE1 4.4Å; L205-F233 HydrophobicContact CD1-CE2 4.49Å; L205-F233 HydrophobicContact CD1-CZ 3.68Å; L205-I237 HydrophobicContact CD1-CD1 3.74Å; L205-I237 HydrophobicContact CD1-CG2 4.1Å; L205-I237 HydrophobicContact CD2-CG2 4.19Å; L205-L241 HydrophobicContact CD2-CD1 3.84Å; L205-L241 HydrophobicContact CD2-CD2 4.46Å
206	A	94.4	Very high	91.3	Very high	67 Å²	67	43.3 Å²	43.3	55%	0.554	25%	0.253	S	S	*	.	H	α-helix	trans	-64.8	-44.4	177.5	0	0	0	0	0	111.8	I202 P203 G209 A210	I202-A206 PolarHBondContact O-N 2.94Å; I202-A206 VanDerWaalsContact O-N 3.08Å; P203-A206 PolarHBondContact O-N 3Å; A206-G209 PolarHBondContact O-N 3.26Å; A206-A210 WeakPolarHBondContact O-CB 3.29Å; A206-A210 PolarHBondContact O-N 2.96Å
207	I	93.8	Very high	91.4	Very high	67 Å²	67	44.2 Å²	44.2	34%	0.344	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-46.8	176.7	-68.9	167.2	0	0	0	110.4	P203 N204 G209 A210 L211 L390 L393	P203-I207 VanDerWaalsContact O-CG1 3.32Å; P203-I207 WeakPolarHBondContact O-CG1 3.37Å; P203-I207 PolarHBondContact O-N 3.2Å; N204-I207 PolarHBondContact O-N 3.31Å; I207-G209 PolarHBondContact O-N 2.95Å; I207-A210 PolarHBondContact O-N 2.94Å; I207-L211 HydrophobicContact CG2-CD1 3.58Å; I207-L211 HydrophobicContact CG2-CG 4.08Å; I207-L211 WeakPolarHBondContact O-CB 3.49Å; I207-L211 WeakPolarHBondContact O-CG 3.21Å; I207-L211 PolarHBondContact O-N 3.27Å; I207-L390 HydrophobicContact CG2-CD2 4.41Å; I207-L393 HydrophobicContact CG2-CD1 4.18Å
208	F	96.1	Very high	91.4	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.035	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-50.1	177.5	-176.8	-81.7	0	0	0	111	L183 A186 L187 L190 N204 L205 A210 A212 F233 L390	L183-F208 HydrophobicContact CD1-CE2 3.88Å; L183-F208 HydrophobicContact CD1-CZ 3.85Å; L183-F208 HydrophobicContact CG-CE2 4.48Å; L183-F208 HydrophobicContact CG-CZ 4.1Å; A186-F208 HydrophobicContact CB-CD2 4.38Å; A186-F208 HydrophobicContact CB-CE2 3.74Å; L187-F208 HydrophobicContact CB-CE2 4.33Å; L187-F208 HydrophobicContact CB-CZ 3.87Å; L187-F208 HydrophobicContact CD1-CE1 4.11Å; L187-F208 HydrophobicContact CD1-CZ 4.2Å; L190-F208 HydrophobicContact CD2-CB 3.77Å; L190-F208 HydrophobicContact CD2-CD1 3.99Å; L190-F208 HydrophobicContact CD2-CD2 4.21Å; L190-F208 HydrophobicContact CD2-CG 3.72Å; N204-F208 VanDerWaalsContact O-CB 3.24Å; N204-F208 WeakPolarHBondContact O-CB 3.48Å; N204-F208 PolarHBondContact O-N 3.33Å; L205-F208 PolarHBondContact O-N 3.22Å; F208-A210 PolarHBondContact O-N 3.45Å; F208-A212 HydrophobicContact CD1-CB 4.45Å; F208-A212 HydrophobicContact CE1-CB 4.27Å; F208-A212 WeakPolarHBondContact O-CB 3.5Å; F208-A212 PolarHBondContact O-N 2.95Å; F208-F233 HydrophobicContact CD1-CD2 4.48Å; F208-F233 AromaticContact CD1-CE2 3.57Å; F208-F233 HydrophobicContact CD1-CE2 3.57Å; F208-F233 HydrophobicContact CD1-CZ 4.25Å; F208-F233 HydrophobicContact CE1-CD2 4.04Å; F208-F233 AromaticContact CE1-CE2 3.55Å; F208-F233 HydrophobicContact CE1-CE2 3.55Å; F208-L390 HydrophobicContact CB-CD2 4.35Å; F208-L390 HydrophobicContact CD2-CB 4.25Å; F208-L390 HydrophobicContact CD2-CD1 4.1Å; F208-L390 HydrophobicContact CD2-CD2 4.11Å; F208-L390 HydrophobicContact CD2-CG 4.4Å; F208-L390 HydrophobicContact CE2-CD1 4.28Å
209	G	93.6	Very high	91.4	Very high	26 Å²	26	46.9 Å²	46.9	27%	0.268	28%	0.278	S	S	.	.	H	α-helix	trans	-59.9	-44.1	178.6	0	0	0	0	0	112.8	L205 A206 I207 S213	L205-G209 PolarHBondContact O-N 2.68Å; A206-G209 PolarHBondContact O-N 3.26Å; I207-G209 PolarHBondContact O-N 2.95Å; G209-S213 VanDerWaalsContact O-CB 3.31Å; G209-S213 WeakPolarHBondContact O-CB 3.39Å; G209-S213 PolarHBondContact O-N 3.29Å; G209-S213 VanDerWaalsContact O-N 3.12Å; G209-S213 PolarHBondContact O-OG 2.88Å
210	A	93.5	Very high	91.6	Very high	44 Å²	44	41.1 Å²	41.1	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-67.2	-50.6	179.2	0	0	0	0	0	112.3	A206 I207 F208 S213 L214	A206-A210 WeakPolarHBondContact O-CB 3.29Å; A206-A210 PolarHBondContact O-N 2.96Å; I207-A210 PolarHBondContact O-N 2.94Å; F208-A210 PolarHBondContact O-N 3.45Å; A210-S213 PolarHBondContact O-OG 3.27Å; A210-L214 WeakPolarHBondContact O-CB 3.34Å; A210-L214 WeakPolarHBondContact O-CG 3.16Å; A210-L214 PolarHBondContact O-N 3.29Å
211	L	93.4	Very high	91.5	Very high	34 Å²	34	48.4 Å²	48.4	18%	0.178	28%	0.284	C	S	.	.	H	α-helix	trans	-67.9	-40.3	-178.9	-64.6	-178.4	0	0	0	111.8	I207 L215 F216 W378 F389 L390	I207-L211 HydrophobicContact CG2-CD1 3.58Å; I207-L211 HydrophobicContact CG2-CG 4.08Å; I207-L211 WeakPolarHBondContact O-CB 3.49Å; I207-L211 WeakPolarHBondContact O-CG 3.21Å; I207-L211 PolarHBondContact O-N 3.27Å; L211-L215 HydrophobicContact CD2-CD1 3.54Å; L211-L215 PolarHBondContact O-N 3.19Å; L211-L215 VanDerWaalsContact O-N 3.12Å; L211-F216 PolarHBondContact O-N 2.9Å; L211-W378 HydrophobicContact CD1-CH2 4.26Å; L211-W378 HydrophobicContact CD2-CH2 3.94Å; L211-W378 HydrophobicContact CD2-CZ2 4.44Å; L211-F389 HydrophobicContact CD1-CD1 4.08Å; L211-F389 HydrophobicContact CD1-CE1 3.9Å; L211-L390 HydrophobicContact CB-CD1 4.37Å; L211-L390 HydrophobicContact CB-CD2 4.29Å; L211-L390 HydrophobicContact CD1-CD2 3.84Å; L211-L390 HydrophobicContact CD1-CG 4.5Å
212	A	92.6	Very high	91.1	Very high	8 Å²	8	48.9 Å²	48.9	7%	0.066	29%	0.286	C	S	.	.	I	π-helix	trans	-61	-49.9	177.2	0	0	0	0	0	111.1	F208 F216 F217	F208-A212 HydrophobicContact CD1-CB 4.45Å; F208-A212 HydrophobicContact CE1-CB 4.27Å; F208-A212 WeakPolarHBondContact O-CB 3.5Å; F208-A212 PolarHBondContact O-N 2.95Å; A212-F216 WeakPolarHBondContact O-CB 3.41Å; A212-F217 HydrophobicContact CB-CE2 4.41Å; A212-F217 WeakPolarHBondContact O-CD2 3.37Å; A212-F217 PolarHBondContact O-N 3.27Å
213	S	90.1	Very high	90.7	Very high	70 Å²	70	48.5 Å²	48.5	49%	0.49	29%	0.289	S	S	.	.	I	π-helix	trans	-75.1	-44.5	-175.8	60.8	0	0	0	0	114.1	G209 A210	G209-S213 VanDerWaalsContact O-CB 3.31Å; G209-S213 WeakPolarHBondContact O-CB 3.39Å; G209-S213 PolarHBondContact O-N 3.29Å; G209-S213 VanDerWaalsContact O-N 3.12Å; G209-S213 PolarHBondContact O-OG 2.88Å; A210-S213 PolarHBondContact O-OG 3.27Å
214	L	90.9	Very high	90.4	Very high	126 Å²	126	47 Å²	47	66%	0.66	28%	0.279	S	S	*	.	I	π-helix	trans	-87.9	-27.3	-171	-59.9	176.7	0	0	0	113.6	A210	A210-L214 WeakPolarHBondContact O-CB 3.34Å; A210-L214 WeakPolarHBondContact O-CG 3.16Å; A210-L214 PolarHBondContact O-N 3.29Å
215	L	91	Very high	90.1	Very high	69 Å²	69	46.6 Å²	46.6	36%	0.361	28%	0.276	S	S	.	.	I	π-helix	trans	-122.4	-47.8	-171.1	-57.9	178.8	0	0	0	112.6	L211 S219 W378 M386	L211-L215 HydrophobicContact CD2-CD1 3.54Å; L211-L215 PolarHBondContact O-N 3.19Å; L211-L215 VanDerWaalsContact O-N 3.12Å; L215-S219 WeakPolarHBondContact O-CB 3.45Å; L215-S219 PolarHBondContact O-N 3.38Å; L215-S219 PolarHBondContact O-OG 3.5Å; L215-W378 HydrophobicContact CB-CZ2 4.23Å; L215-W378 HydrophobicContact CD1-CH2 4.11Å; L215-W378 HydrophobicContact CD1-CZ2 3.37Å; L215-W378 HydrophobicContact CG-CZ2 4.4Å; L215-M386 HydrophobicContact CB-CE 4.4Å; L215-M386 HydrophobicContact CB-SD 4.3Å
216	F	93	Very high	89.9	Confident	1 Å²	1	49.1 Å²	49.1	0%	0.004	29%	0.294	C	S	.	.	I	π-helix	trans	-70.4	-52.8	-172	179.1	-91.1	0	0	0	114.2	S179 I180 L183 L211 A212 S219 L220 G383 M386 S387	S179-F216 WeakPolarHBondContact O-CZ 3.14Å; I180-F216 HydrophobicContact CD1-CE1 3.68Å; I180-F216 HydrophobicContact CD1-CZ 4.03Å; L183-F216 HydrophobicContact CB-CE1 4.15Å; L183-F216 HydrophobicContact CB-CE2 4.38Å; L183-F216 HydrophobicContact CB-CZ 3.82Å; L183-F216 HydrophobicContact CD1-CD1 4.44Å; L183-F216 HydrophobicContact CD1-CE1 4.44Å; L183-F216 HydrophobicContact CD1-CG 4.46Å; L183-F216 HydrophobicContact CD1-CZ 4.45Å; L183-F216 HydrophobicContact CD2-CD1 3.77Å; L183-F216 HydrophobicContact CD2-CE1 3.47Å; L183-F216 VanDerWaalsContact CD2-CE1 3.47Å; L183-F216 HydrophobicContact CD2-CZ 4.04Å; L183-F216 HydrophobicContact CG-CE1 4.21Å; L183-F216 HydrophobicContact CG-CZ 4.3Å; L211-F216 PolarHBondContact O-N 2.9Å; A212-F216 WeakPolarHBondContact O-CB 3.41Å; F216-S219 PolarHBondContact O-N 2.87Å; F216-S219 PolarHBondContact O-OG 3.49Å; F216-L220 HydrophobicContact CD1-CD1 3.94Å; F216-L220 HydrophobicContact CD2-CD1 4.49Å; F216-L220 HydrophobicContact CE1-CD1 3.33Å; F216-L220 HydrophobicContact CE2-CD1 3.96Å; F216-L220 HydrophobicContact CG-CD1 4.49Å; F216-L220 HydrophobicContact CZ-CD1 3.37Å; F216-L220 PolarHBondContact O-N 3.03Å; F216-G383 WeakPolarHBondContact CE2-O 3.32Å; F216-M386 HydrophobicContact CB-SD 4.25Å; F216-M386 HydrophobicContact CD2-CB 4.02Å; F216-M386 HydrophobicContact CD2-SD 4.41Å; F216-S387 WeakPolarHBondContact CE2-OG 3.47Å
217	F	89.9	Confident	89.7	Confident	19 Å²	19	50 Å²	50	8%	0.083	29%	0.286	C	S	.	.	H	α-helix	trans	-66.3	-40.4	178.5	-71	-68.4	0	0	0	112.9	I180 L183 A212 S219 T224 L229	I180-F217 HydrophobicContact CD1-CE1 4.06Å; L183-F217 HydrophobicContact CD2-CE2 4.22Å; L183-F217 HydrophobicContact CD2-CZ 3.82Å; A212-F217 HydrophobicContact CB-CE2 4.41Å; A212-F217 WeakPolarHBondContact O-CD2 3.37Å; A212-F217 PolarHBondContact O-N 3.27Å; F217-S219 VanDerWaalsContact C-N 3.35Å; F217-S219 PolarHBondContact O-N 3.34Å; F217-T224 HydrophobicContact CD1-CG2 3.63Å; F217-T224 HydrophobicContact CE1-CG2 4.05Å; F217-T224 HydrophobicContact CG-CG2 4.46Å; F217-L229 HydrophobicContact CD2-CD2 3.77Å; F217-L229 HydrophobicContact CE1-CD1 4.27Å; F217-L229 HydrophobicContact CE1-CD2 4.36Å; F217-L229 HydrophobicContact CE2-CD1 4.06Å; F217-L229 HydrophobicContact CE2-CD2 3.23Å; F217-L229 HydrophobicContact CE2-CG 4.25Å; F217-L229 HydrophobicContact CZ-CD1 3.53Å; F217-L229 HydrophobicContact CZ-CD2 3.57Å; F217-L229 HydrophobicContact CZ-CG 4.19Å
218	P	88.5	Confident	89.6	Confident	76 Å²	76	46.8 Å²	46.8	49%	0.494	27%	0.269	S	S	.	.	H	α-helix	trans	-60.5	-38.9	172.1	-28.6	38.9	0	0	0	113.8	L220 K221	P218-L220 PolarHBondContact O-N 3.48Å; P218-K221 PolarHBondContact O-N 3.1Å
219	S	88.1	Confident	89.4	Confident	23 Å²	23	48.1 Å²	48.1	16%	0.161	28%	0.277	C	S	.	.	H	α-helix	trans	-66.1	-38	-178.7	68.8	0	0	0	0	113	L215 F216 F217 K221 P380	L215-S219 WeakPolarHBondContact O-CB 3.45Å; L215-S219 PolarHBondContact O-N 3.38Å; L215-S219 PolarHBondContact O-OG 3.5Å; F216-S219 PolarHBondContact O-N 2.87Å; F216-S219 PolarHBondContact O-OG 3.49Å; F217-S219 VanDerWaalsContact C-N 3.35Å; F217-S219 PolarHBondContact O-N 3.34Å; S219-K221 PolarHBondContact O-N 3.37Å; S219-P380 WeakPolarHBondContact CB-O 3.47Å
220	L	86.7	Confident	89.3	Confident	15 Å²	15	48.9 Å²	48.9	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-72.6	-12.7	178	-72.7	166.8	0	0	0	113.7	K176 I180 F216 P218 I222	K176-L220 WeakPolarHBondContact CE-O 3.34Å; K176-L220 HydrophobicContact CG-CD2 4.35Å; K176-L220 PolarHBondContact NZ-O 3.17Å; I180-L220 HydrophobicContact CD1-CD1 3.95Å; F216-L220 HydrophobicContact CD1-CD1 3.94Å; F216-L220 HydrophobicContact CD2-CD1 4.49Å; F216-L220 HydrophobicContact CE1-CD1 3.33Å; F216-L220 HydrophobicContact CE2-CD1 3.96Å; F216-L220 HydrophobicContact CG-CD1 4.49Å; F216-L220 HydrophobicContact CZ-CD1 3.37Å; F216-L220 PolarHBondContact O-N 3.03Å; P218-L220 PolarHBondContact O-N 3.48Å; L220-I222 HydrophobicContact CB-CD1 3.61Å; L220-I222 HydrophobicContact CB-CG1 3.78Å; L220-I222 HydrophobicContact CD1-CD1 3.94Å; L220-I222 HydrophobicContact CG-CD1 4.28Å; L220-I222 PolarHBondContact O-N 3.25Å
221	K	85.1	Confident	89.3	Confident	180 Å²	180	46.8 Å²	46.8	78%	0.783	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	45.2	-176.5	-59.6	179.3	-177.1	176.7	0	111.6	P218 S219	P218-K221 PolarHBondContact O-N 3.1Å; S219-K221 PolarHBondContact O-N 3.37Å
222	I	82.2	Confident	89.3	Confident	13 Å²	13	45.6 Å²	45.6	7%	0.067	26%	0.257	C	S	.	.			trans	-96.6	133.7	178.5	-64.1	169.7	0	0	0	108.2	F108 M172 K176 I180 L220 T224	F108-I222 HydrophobicContact CD1-CG2 4.46Å; M172-I222 HydrophobicContact CE-CB 4.13Å; M172-I222 HydrophobicContact CE-CD1 3.43Å; M172-I222 VanDerWaalsContact CE-CD1 3.43Å; M172-I222 HydrophobicContact CE-CG1 3.48Å; M172-I222 VanDerWaalsContact CE-CG1 3.48Å; M172-I222 HydrophobicContact CE-CG2 3.56Å; M172-I222 HydrophobicContact SD-CD1 3.94Å; M172-I222 HydrophobicContact SD-CG2 4.26Å; K176-I222 HydrophobicContact CB-CD1 4.27Å; K176-I222 HydrophobicContact CD-CD1 4.17Å; K176-I222 HydrophobicContact CD-CG1 3.93Å; I180-I222 HydrophobicContact CD1-CD1 4.44Å; L220-I222 HydrophobicContact CB-CD1 3.61Å; L220-I222 HydrophobicContact CB-CG1 3.78Å; L220-I222 HydrophobicContact CD1-CD1 3.94Å; L220-I222 HydrophobicContact CG-CD1 4.28Å; L220-I222 PolarHBondContact O-N 3.25Å; I222-T224 VanDerWaalsContact C-N 3.32Å; I222-T224 HydrophobicContact CB-CG2 4.06Å; I222-T224 HydrophobicContact CG2-CG2 3.59Å; I222-T224 PolarHBondContact O-N 2.96Å
223	P	81.1	Confident	89.4	Confident	77 Å²	77	47.7 Å²	47.7	50%	0.5	26%	0.264	S	S	.	.			trans	-70.8	93.1	166.9	31.5	-33.9	0	0	0	108.6	N110	N110-P223 HydrophobicContact CB-CB 4.44Å; N110-P223 VanDerWaalsContact CB-O 3.31Å; N110-P223 WeakPolarHBondContact CB-O 3.34Å; N110-P223 WeakPolarHBondContact O-CB 3.41Å; N110-P223 WeakPolarHBondContact O-CG 3.44Å
224	T	85.4	Confident	89.5	Confident	30 Å²	30	45.9 Å²	45.9	18%	0.184	25%	0.252	C	S	.	.			trans	-94.3	146.7	176.6	52.8	0	0	0	0	111.4	C107 N110 F217 I222 P226	C107-T224 CarbonylContact O-C 3.53Å; C107-T224 VanDerWaalsContact O-CA 3.31Å; C107-T224 WeakPolarHBondContact O-CA 3.5Å; N110-T224 PolarHBondContact ND2-O 3.46Å; F217-T224 HydrophobicContact CD1-CG2 3.63Å; F217-T224 HydrophobicContact CE1-CG2 4.05Å; F217-T224 HydrophobicContact CG-CG2 4.46Å; I222-T224 VanDerWaalsContact C-N 3.32Å; I222-T224 HydrophobicContact CB-CG2 4.06Å; I222-T224 HydrophobicContact CG2-CG2 3.59Å; I222-T224 PolarHBondContact O-N 2.96Å; T224-P226 WeakPolarHBondContact O-CD 3.4Å
225	N	89	Confident	89.5	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	23%	0.227	C	C	.	.			trans	-86	109.7	166.4	-172.2	-38.1	0	0	0	109.5	R55 C107 N110 E120 F227 A228 L229	R55-N225 PolarHBondContact NH2-ND2 2.97Å; C107-N225 PolarHBondContact O-N 2.9Å; N110-N225 HydrophobicContact CB-CB 4.25Å; E120-N225 PolarHBondContact OE1-ND2 2.93Å; N225-F227 VanDerWaalsContact C-N 3.3Å; N225-F227 PolarHBondContact O-N 2.72Å; N225-F227 PolarHBondContact OD1-N 3.33Å; N225-A228 HydrophobicContact CB-CB 4.18Å; N225-A228 PolarHBondContact O-N 2.78Å; N225-A228 PolarHBondContact OD1-N 2.91Å; N225-L229 PolarHBondContact O-N 3.47Å
226	P	88.8	Confident	89.6	Confident	78 Å²	78	37.8 Å²	37.8	51%	0.506	21%	0.211	S	C	.	.	H	α-helix	trans	-67.8	-28.4	-174.5	27.3	-34.7	0	0	0	113	T224 A230	T224-P226 WeakPolarHBondContact O-CD 3.4Å; P226-A230 WeakPolarHBondContact O-CB 3.24Å; P226-A230 PolarHBondContact O-N 3.15Å
227	F	90.8	Very high	89.6	Confident	84 Å²	84	38.1 Å²	38.1	37%	0.368	21%	0.213	S	C	.	.	H	α-helix	trans	-72.3	-41.6	179.7	-64.8	-87.3	0	0	0	111.6	K124 L127 N225 A230 C231	K124-F227 HydrophobicContact CB-CD1 4.25Å; K124-F227 HydrophobicContact CB-CD2 4.2Å; K124-F227 HydrophobicContact CB-CE1 4.49Å; K124-F227 HydrophobicContact CB-CE2 4.45Å; K124-F227 HydrophobicContact CB-CG 4.1Å; K124-F227 HydrophobicContact CD-CD2 3.84Å; K124-F227 HydrophobicContact CD-CE2 3.69Å; K124-F227 HydrophobicContact CD-CZ 4.28Å; K124-F227 HydrophobicContact CG-CB 4.41Å; K124-F227 HydrophobicContact CG-CD2 3.63Å; K124-F227 HydrophobicContact CG-CE2 3.98Å; K124-F227 HydrophobicContact CG-CG 3.95Å; L127-F227 HydrophobicContact CD1-CB 4.13Å; N225-F227 VanDerWaalsContact C-N 3.3Å; N225-F227 PolarHBondContact O-N 2.72Å; N225-F227 PolarHBondContact OD1-N 3.33Å; F227-A230 PolarHBondContact O-N 2.72Å; F227-C231 VanDerWaalsContact O-CB 3.27Å; F227-C231 WeakPolarHBondContact O-CB 3.49Å; F227-C231 PolarHBondContact O-N 3.47Å
228	A	91.5	Very high	89.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.1	-40.7	176.2	0	0	0	0	0	111.2	L103 L106 C107 L127 N225 C231 F232	L103-A228 HydrophobicContact CD1-CB 4.21Å; L106-A228 HydrophobicContact CB-CB 4.34Å; L106-A228 HydrophobicContact CD2-CB 3.93Å; L106-A228 HydrophobicContact CG-CB 4.1Å; C107-A228 WeakPolarHBondContact SG-CB 3.47Å; L127-A228 HydrophobicContact CD1-CB 4.12Å; N225-A228 HydrophobicContact CB-CB 4.18Å; N225-A228 PolarHBondContact O-N 2.78Å; N225-A228 PolarHBondContact OD1-N 2.91Å; A228-C231 WeakPolarHBondContact O-CB 3.28Å; A228-C231 PolarHBondContact O-N 3.48Å; A228-F232 PolarHBondContact O-N 3.45Å
229	L	91.7	Very high	89.7	Confident	36 Å²	36	35.6 Å²	35.6	19%	0.188	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-46.5	176.2	-174.8	79	0	0	0	111.7	C107 F165 F217 N225 C231 F232 F233	C107-L229 PolarHBondContact SG-N 3.27Å; C107-L229 VanDerWaalsContact SG-N 3.35Å; F165-L229 HydrophobicContact CZ-CD1 4.13Å; F217-L229 HydrophobicContact CD2-CD2 3.77Å; F217-L229 HydrophobicContact CE1-CD1 4.27Å; F217-L229 HydrophobicContact CE1-CD2 4.36Å; F217-L229 HydrophobicContact CE2-CD1 4.06Å; F217-L229 HydrophobicContact CE2-CD2 3.23Å; F217-L229 HydrophobicContact CE2-CG 4.25Å; F217-L229 HydrophobicContact CZ-CD1 3.53Å; F217-L229 HydrophobicContact CZ-CD2 3.57Å; F217-L229 HydrophobicContact CZ-CG 4.19Å; N225-L229 PolarHBondContact O-N 3.47Å; L229-C231 VanDerWaalsContact C-N 3.26Å; L229-C231 PolarHBondContact O-N 3.31Å; L229-F232 PolarHBondContact O-N 3.26Å; L229-F233 WeakPolarHBondContact O-CB 3.39Å; L229-F233 PolarHBondContact O-N 3.3Å
230	A	92.3	Very high	89.9	Confident	43 Å²	43	34.5 Å²	34.5	36%	0.355	19%	0.189	S	C	.	.	H	α-helix	trans	-61.4	-37.2	175.6	0	0	0	0	0	111.4	I131 P226 F227 S234	I131-A230 HydrophobicContact CD1-CB 4.49Å; P226-A230 WeakPolarHBondContact O-CB 3.24Å; P226-A230 PolarHBondContact O-N 3.15Å; F227-A230 PolarHBondContact O-N 2.72Å; A230-S234 WeakPolarHBondContact O-CB 3.21Å; A230-S234 PolarHBondContact O-N 3.44Å; A230-S234 PolarHBondContact O-OG 2.92Å
231	C	93.6	Very high	90	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-50.7	174.8	-171.5	0	0	0	0	111.7	L127 I131 F227 A228 L229 F233 S234 C235	L127-C231 HydrophobicContact CB-CB 4.41Å; L127-C231 HydrophobicContact CD2-CB 4.2Å; I131-C231 HydrophobicContact CD1-CB 4.03Å; I131-C231 HydrophobicContact CG1-CB 4.02Å; F227-C231 VanDerWaalsContact O-CB 3.27Å; F227-C231 WeakPolarHBondContact O-CB 3.49Å; F227-C231 PolarHBondContact O-N 3.47Å; A228-C231 WeakPolarHBondContact O-CB 3.28Å; A228-C231 PolarHBondContact O-N 3.48Å; L229-C231 VanDerWaalsContact C-N 3.26Å; L229-C231 PolarHBondContact O-N 3.31Å; C231-F233 PolarHBondContact O-N 3.25Å; C231-S234 PolarHBondContact O-N 2.95Å; C231-C235 VanDerWaalsContact O-CB 3.26Å; C231-C235 WeakPolarHBondContact O-CB 3.38Å; C231-C235 PolarHBondContact O-N 2.65Å; C231-C235 PolarHBondContact O-SG 2.63Å
232	F	93.6	Very high	90.1	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.035	17%	0.174	C	C	.	.	H	α-helix	trans	-57.3	-51.5	177.6	177.2	-110.6	0	0	0	111.7	L103 L162 F165 L187 A228 L229 L236	L103-F232 HydrophobicContact CD2-CB 3.58Å; L103-F232 HydrophobicContact CD2-CD2 4Å; L103-F232 HydrophobicContact CD2-CG 4.28Å; L103-F232 HydrophobicContact CG-CB 4.16Å; L162-F232 HydrophobicContact CD2-CE1 4.48Å; L162-F232 HydrophobicContact CD2-CZ 4.04Å; F165-F232 HydrophobicContact CB-CE1 4.17Å; F165-F232 HydrophobicContact CB-CE2 3.7Å; F165-F232 HydrophobicContact CB-CZ 3.46Å; F165-F232 VanDerWaalsContact CB-CZ 3.46Å; F165-F232 HydrophobicContact CD1-CE1 4.02Å; F165-F232 HydrophobicContact CD1-CZ 4.18Å; F165-F232 AromaticContact CD2-CD1 3.78Å; F165-F232 HydrophobicContact CD2-CD1 3.78Å; F165-F232 AromaticContact CD2-CD2 3.77Å; F165-F232 HydrophobicContact CD2-CD2 3.77Å; F165-F232 AromaticContact CD2-CE1 3.77Å; F165-F232 HydrophobicContact CD2-CE1 3.77Å; F165-F232 AromaticContact CD2-CE2 3.74Å; F165-F232 HydrophobicContact CD2-CE2 3.74Å; F165-F232 AromaticContact CD2-CG 3.76Å; F165-F232 HydrophobicContact CD2-CG 3.76Å; F165-F232 AromaticContact CD2-CZ 3.74Å; F165-F232 HydrophobicContact CD2-CZ 3.74Å; F165-F232 HydrophobicContact CE1-CE1 4.34Å; F165-F232 HydrophobicContact CE2-CB 4.3Å; F165-F232 AromaticContact CE2-CD1 3.77Å; F165-F232 HydrophobicContact CE2-CD1 3.77Å; F165-F232 HydrophobicContact CE2-CD2 4.35Å; F165-F232 HydrophobicContact CE2-CE1 4.11Å; F165-F232 AromaticContact CE2-CG 3.88Å; F165-F232 HydrophobicContact CE2-CG 3.88Å; F165-F232 HydrophobicContact CG-CD1 4.21Å; F165-F232 HydrophobicContact CG-CD2 4.39Å; F165-F232 AromaticContact CG-CE1 3.72Å; F165-F232 HydrophobicContact CG-CE1 3.72Å; F165-F232 AromaticContact CG-CE2 3.91Å; F165-F232 HydrophobicContact CG-CE2 3.91Å; F165-F232 AromaticContact CG-CZ 3.53Å; F165-F232 HydrophobicContact CG-CZ 3.53Å; F165-F232 HydrophobicContact CZ-CD1 4.2Å; F165-F232 HydrophobicContact CZ-CE1 4.39Å; L187-F232 HydrophobicContact CD2-CD1 4.42Å; L187-F232 HydrophobicContact CD2-CE1 3.79Å; A228-F232 PolarHBondContact O-N 3.45Å; L229-F232 PolarHBondContact O-N 3.26Å; F232-L236 HydrophobicContact CD1-CD1 4.28Å; F232-L236 HydrophobicContact CD2-CD1 4.02Å; F232-L236 HydrophobicContact CE1-CD1 3.81Å; F232-L236 HydrophobicContact CE2-CD1 3.54Å; F232-L236 HydrophobicContact CE2-CG 4.47Å; F232-L236 HydrophobicContact CG-CD1 4.39Å; F232-L236 HydrophobicContact CZ-CD1 3.42Å; F232-L236 VanDerWaalsContact CZ-CD1 3.42Å; F232-L236 WeakPolarHBondContact O-CG 3.2Å; F232-L236 PolarHBondContact O-N 3.21Å
233	F	94	Very high	90.2	Very high	52 Å²	52	30.3 Å²	30.3	23%	0.228	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-48.5	-179.3	179.3	-97.6	0	0	0	112.3	L187 L205 F208 L229 C231 L236 I237	L187-F233 HydrophobicContact CD1-CD2 3.89Å; L187-F233 HydrophobicContact CD1-CE2 3.92Å; L205-F233 HydrophobicContact CD1-CE1 4.4Å; L205-F233 HydrophobicContact CD1-CE2 4.49Å; L205-F233 HydrophobicContact CD1-CZ 3.68Å; F208-F233 HydrophobicContact CD1-CD2 4.48Å; F208-F233 AromaticContact CD1-CE2 3.57Å; F208-F233 HydrophobicContact CD1-CE2 3.57Å; F208-F233 HydrophobicContact CD1-CZ 4.25Å; F208-F233 HydrophobicContact CE1-CD2 4.04Å; F208-F233 AromaticContact CE1-CE2 3.55Å; F208-F233 HydrophobicContact CE1-CE2 3.55Å; L229-F233 WeakPolarHBondContact O-CB 3.39Å; L229-F233 PolarHBondContact O-N 3.3Å; C231-F233 PolarHBondContact O-N 3.25Å; F233-L236 PolarHBondContact O-N 2.96Å; F233-I237 HydrophobicContact CD1-CD1 3.89Å; F233-I237 HydrophobicContact CD2-CD1 3.42Å; F233-I237 VanDerWaalsContact CD2-CD1 3.42Å; F233-I237 HydrophobicContact CE1-CD1 3.52Å; F233-I237 HydrophobicContact CE2-CD1 3Å; F233-I237 HydrophobicContact CE2-CG1 4.46Å; F233-I237 HydrophobicContact CG-CD1 3.86Å; F233-I237 HydrophobicContact CZ-CD1 3.08Å; F233-I237 WeakPolarHBondContact O-CB 3.42Å; F233-I237 PolarHBondContact O-N 3.45Å
234	S	92.7	Very high	90.4	Very high	32 Å²	32	28.4 Å²	28.4	22%	0.224	16%	0.162	C	C	.	.	H	α-helix	trans	-67.7	-41.6	-176.5	-55.2	0	0	0	0	111.6	A230 C231 L236 I237 S238	A230-S234 WeakPolarHBondContact O-CB 3.21Å; A230-S234 PolarHBondContact O-N 3.44Å; A230-S234 PolarHBondContact O-OG 2.92Å; C231-S234 PolarHBondContact O-N 2.95Å; S234-L236 VanDerWaalsContact C-N 3.3Å; S234-L236 PolarHBondContact O-N 3.43Å; S234-I237 PolarHBondContact O-N 3.09Å; S234-S238 WeakPolarHBondContact O-CB 3.47Å; S234-S238 PolarHBondContact O-N 2.93Å; S234-S238 PolarHBondContact O-OG 3.27Å
235	C	91	Very high	90.2	Very high	21 Å²	21	31.6 Å²	31.6	14%	0.142	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-36.7	179	-74.4	0	0	0	0	112.7	R134 C231	R134-C235 HydrophobicContact CG-CB 4.47Å; C231-C235 VanDerWaalsContact O-CB 3.26Å; C231-C235 WeakPolarHBondContact O-CB 3.38Å; C231-C235 PolarHBondContact O-N 2.65Å; C231-C235 PolarHBondContact O-SG 2.63Å
236	L	92.2	Very high	89.6	Confident	5 Å²	5	34.1 Å²	34.1	3%	0.026	18%	0.182	C	C	.	.	H	α-helix	trans	-75.7	-38.5	177.5	-73.9	173.8	0	0	0	113	E158 E161 L162 L187 I191 F232 F233 S234 P240	E158-L236 HydrophobicContact CB-CD2 4.16Å; E158-L236 HydrophobicContact CG-CD2 4.02Å; E161-L236 HydrophobicContact CB-CD2 4.23Å; E161-L236 WeakPolarHBondContact OE2-CD2 3.49Å; L162-L236 HydrophobicContact CD2-CD1 3.87Å; L162-L236 HydrophobicContact CG-CD1 4.21Å; L187-L236 HydrophobicContact CD2-CD1 4.03Å; I191-L236 HydrophobicContact CD1-CB 4.16Å; F232-L236 HydrophobicContact CD1-CD1 4.28Å; F232-L236 HydrophobicContact CD2-CD1 4.02Å; F232-L236 HydrophobicContact CE1-CD1 3.81Å; F232-L236 HydrophobicContact CE2-CD1 3.54Å; F232-L236 HydrophobicContact CE2-CG 4.47Å; F232-L236 HydrophobicContact CG-CD1 4.39Å; F232-L236 HydrophobicContact CZ-CD1 3.42Å; F232-L236 VanDerWaalsContact CZ-CD1 3.42Å; F232-L236 WeakPolarHBondContact O-CG 3.2Å; F232-L236 PolarHBondContact O-N 3.21Å; F233-L236 PolarHBondContact O-N 2.96Å; S234-L236 VanDerWaalsContact C-N 3.3Å; S234-L236 PolarHBondContact O-N 3.43Å; L236-P240 WeakPolarHBondContact O-CD 3.49Å; L236-P240 WeakPolarHBondContact O-CG 3.49Å
237	I	93.1	Very high	89.2	Confident	7 Å²	7	31 Å²	31	4%	0.036	16%	0.162	C	C	.	.	H	α-helix	trans	-86	-23	-174.1	-73.3	165.6	0	0	0	113.3	L187 L190 L194 L205 F233 S234 D239 P240 L241	L187-I237 HydrophobicContact CD1-CD1 3.82Å; L187-I237 HydrophobicContact CD1-CG1 4.31Å; L190-I237 HydrophobicContact CD2-CD1 4.48Å; L194-I237 HydrophobicContact CD1-CG2 4.18Å; L205-I237 HydrophobicContact CD1-CD1 3.74Å; L205-I237 HydrophobicContact CD1-CG2 4.1Å; L205-I237 HydrophobicContact CD2-CG2 4.19Å; F233-I237 HydrophobicContact CD1-CD1 3.89Å; F233-I237 HydrophobicContact CD2-CD1 3.42Å; F233-I237 VanDerWaalsContact CD2-CD1 3.42Å; F233-I237 HydrophobicContact CE1-CD1 3.52Å; F233-I237 HydrophobicContact CE2-CD1 3Å; F233-I237 HydrophobicContact CE2-CG1 4.46Å; F233-I237 HydrophobicContact CG-CD1 3.86Å; F233-I237 HydrophobicContact CZ-CD1 3.08Å; F233-I237 WeakPolarHBondContact O-CB 3.42Å; F233-I237 PolarHBondContact O-N 3.45Å; S234-I237 PolarHBondContact O-N 3.09Å; I237-D239 VanDerWaalsContact C-N 3.31Å; I237-D239 PolarHBondContact O-N 3.39Å; I237-P240 VanDerWaalsContact O-CD 3.22Å; I237-P240 WeakPolarHBondContact O-CD 3.43Å; I237-P240 WeakPolarHBondContact O-CG 3.39Å; I237-L241 HydrophobicContact CG2-CB 3.96Å; I237-L241 HydrophobicContact CG2-CD2 4.34Å; I237-L241 WeakPolarHBondContact O-CB 3.03Å; I237-L241 PolarHBondContact O-N 3.42Å
238	S	91.2	Very high	88.5	Confident	11 Å²	11	30.6 Å²	30.6	8%	0.077	18%	0.182	C	C	.	.	H	α-helix	trans	-52.1	-47.7	-176.2	-67.9	0	0	0	0	112.7	I135 S234 L242	I135-S238 VanDerWaalsContact CG1-OG 3.27Å; I135-S238 WeakPolarHBondContact CG1-OG 3.42Å; S234-S238 WeakPolarHBondContact O-CB 3.47Å; S234-S238 PolarHBondContact O-N 2.93Å; S234-S238 PolarHBondContact O-OG 3.27Å; S238-L242 WeakPolarHBondContact O-CB 3.45Å; S238-L242 WeakPolarHBondContact O-CG 3.32Å; S238-L242 PolarHBondContact O-N 3.39Å; S238-L242 VanDerWaalsContact O-N 3.09Å
239	D	90	Very high	87.9	Confident	32 Å²	32	32.5 Å²	32.5	17%	0.171	19%	0.192	C	C	.	.	H	α-helix	trans	-66.4	-58.2	179.9	-80.6	-20.3	0	0	0	113.9	R134 A138 R142 I237 L241 L242 D243	R134-D239 IonicContact CZ-OD1 3.88Å; R134-D239 IonicContact CZ-OD2 2.87Å; R134-D239 IonicContact NH1-OD1 3.44Å; R134-D239 PolarHBondContact NH1-OD1 3.33Å; R134-D239 IonicContact NH1-OD2 3.86Å; R134-D239 PolarHBondContact NH1-OD2 3.29Å; R134-D239 IonicContact NH2-OD1 3.75Å; R134-D239 IonicContact NH2-OD2 2.92Å; R134-D239 PolarHBondContact NH2-OD2 3.02Å; A138-D239 WeakPolarHBondContact CB-OD1 3.4Å; R142-D239 IonicContact CZ-OD1 3.17Å; R142-D239 IonicContact NH1-OD1 3.03Å; R142-D239 PolarHBondContact NH1-OD1 3.46Å; R142-D239 VanDerWaalsContact NH2-CA 3.3Å; R142-D239 PolarHBondContact NH2-O 3.41Å; R142-D239 VanDerWaalsContact NH2-O 3.11Å; R142-D239 IonicContact NH2-OD1 3.99Å; R142-D239 PolarHBondContact NH2-OD1 3.42Å; R142-D239 VanDerWaalsContact NH2-OD1 3.1Å; I237-D239 VanDerWaalsContact C-N 3.31Å; I237-D239 PolarHBondContact O-N 3.39Å; D239-L241 PolarHBondContact O-N 3.28Å; D239-L242 PolarHBondContact O-N 3.34Å; D239-D243 WeakPolarHBondContact O-CB 3.46Å; D239-D243 VanDerWaalsContact O-CG 3.24Å; D239-D243 PolarHBondContact O-N 3.47Å
240	P	91.1	Very high	87.3	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-33.7	-179.2	24.1	-34.8	0	0	0	112.2	I191 L194 L236 I237 D243 V244	I191-P240 HydrophobicContact CG2-CB 4.48Å; I191-P240 HydrophobicContact CG2-CG 4.2Å; L194-P240 HydrophobicContact CB-CB 4Å; L236-P240 WeakPolarHBondContact O-CD 3.49Å; L236-P240 WeakPolarHBondContact O-CG 3.49Å; I237-P240 VanDerWaalsContact O-CD 3.22Å; I237-P240 WeakPolarHBondContact O-CD 3.43Å; I237-P240 WeakPolarHBondContact O-CG 3.39Å; P240-D243 PolarHBondContact O-N 3.44Å; P240-V244 WeakPolarHBondContact O-CG2 3.33Å; P240-V244 PolarHBondContact O-N 3.27Å
241	L	89.9	Confident	86.8	Confident	70 Å²	70	31.9 Å²	31.9	37%	0.366	19%	0.187	S	C	.	.	H	α-helix	trans	-65.5	-46.9	176.5	-179.2	63.3	0	0	0	112.3	L194 I202 L205 I237 D239 D243 V244	L194-L241 HydrophobicContact CD2-CD1 4.48Å; I202-L241 HydrophobicContact CD1-CD1 3.7Å; L205-L241 HydrophobicContact CD2-CD1 3.84Å; L205-L241 HydrophobicContact CD2-CD2 4.46Å; I237-L241 HydrophobicContact CG2-CB 3.96Å; I237-L241 HydrophobicContact CG2-CD2 4.34Å; I237-L241 WeakPolarHBondContact O-CB 3.03Å; I237-L241 PolarHBondContact O-N 3.42Å; D239-L241 PolarHBondContact O-N 3.28Å; L241-D243 VanDerWaalsContact C-N 3.31Å; L241-V244 WeakPolarHBondContact O-CB 3.37Å; L241-V244 PolarHBondContact O-N 3.25Å
242	L	86.9	Confident	86.2	Confident	35 Å²	35	32.8 Å²	32.8	18%	0.183	19%	0.193	C	C	.	.	H	α-helix	trans	-66.4	-37.2	176.4	-70	173.9	0	0	0	111.1	A138 L139 S238 D239 V244 Y245 F246	A138-L242 HydrophobicContact CB-CD1 3.74Å; L139-L242 HydrophobicContact CB-CD1 4.5Å; L139-L242 HydrophobicContact CD1-CD2 4.2Å; S238-L242 WeakPolarHBondContact O-CB 3.45Å; S238-L242 WeakPolarHBondContact O-CG 3.32Å; S238-L242 PolarHBondContact O-N 3.39Å; S238-L242 VanDerWaalsContact O-N 3.09Å; D239-L242 PolarHBondContact O-N 3.34Å; L242-V244 PolarHBondContact O-N 3.38Å; L242-Y245 PolarHBondContact O-N 3.23Å; L242-F246 HydrophobicContact CB-CD2 4.28Å; L242-F246 HydrophobicContact CD2-CE2 4.3Å; L242-F246 WeakPolarHBondContact O-CD2 3.39Å; L242-F246 PolarHBondContact O-N 3.34Å
243	D	85.4	Confident	85.8	Confident	15 Å²	15	36.7 Å²	36.7	8%	0.08	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-25.2	177.4	-74.4	-15.2	0	0	0	112.9	R142 H149 R195 K197 D239 P240 L241 Y245 S247	R142-D243 IonicContact CZ-OD1 2.69Å; R142-D243 IonicContact NE-OD1 3.66Å; R142-D243 PolarHBondContact NE-OD1 2.68Å; R142-D243 VanDerWaalsContact NH2-CG 3.3Å; R142-D243 IonicContact NH2-OD1 3.59Å; R142-D243 PolarHBondContact NH2-OD1 3.04Å; R142-D243 IonicContact NH2-OD2 3.93Å; R142-D243 PolarHBondContact NH2-OD2 3.31Å; H149-D243 IonicContact CE1-OD1 3.4Å; H149-D243 PolarHBondContact CE1-OD1 3.47Å; H149-D243 IonicContact ND1-OD1 3.61Å; R195-D243 IonicContact NH1-OD2 3.57Å; K197-D243 WeakPolarHBondContact CE-O 3.44Å; K197-D243 PolarHBondContact NZ-O 3.22Å; D239-D243 WeakPolarHBondContact O-CB 3.46Å; D239-D243 VanDerWaalsContact O-CG 3.24Å; D239-D243 PolarHBondContact O-N 3.47Å; P240-D243 PolarHBondContact O-N 3.44Å; L241-D243 VanDerWaalsContact C-N 3.31Å; D243-Y245 PolarHBondContact O-N 3.16Å; D243-S247 WeakPolarHBondContact O-CB 3.39Å; D243-S247 PolarHBondContact O-N 2.98Å
244	V	83.8	Confident	85.5	Confident	36 Å²	36	35.2 Å²	35.2	22%	0.218	20%	0.204	C	C	.	.	H	α-helix	trans	-52.8	-40.2	171.3	177	0	0	0	0	110.5	L194 K197 P240 L241 L242	L194-V244 HydrophobicContact CD2-CG2 4.26Å; K197-V244 HydrophobicContact CB-CG1 4.5Å; K197-V244 HydrophobicContact CD-CG1 4.41Å; K197-V244 WeakPolarHBondContact CD-O 3.15Å; K197-V244 WeakPolarHBondContact CE-O 3.11Å; K197-V244 HydrophobicContact CG-CG2 4.43Å; K197-V244 PolarHBondContact NZ-O 2.8Å; P240-V244 WeakPolarHBondContact O-CG2 3.33Å; P240-V244 PolarHBondContact O-N 3.27Å; L241-V244 WeakPolarHBondContact O-CB 3.37Å; L241-V244 PolarHBondContact O-N 3.25Å; L242-V244 PolarHBondContact O-N 3.38Å
245	Y	81.3	Confident	85.4	Confident	97 Å²	97	34.1 Å²	34.1	38%	0.38	20%	0.195	S	C	.	.	H	α-helix	trans	-90.3	-49.8	179.4	-175.8	-96.5	0	0	0	113.3	L13 L242 D243	L13-Y245 HydrophobicContact CD1-CE1 3.8Å; L13-Y245 WeakPolarHBondContact CD1-OH 3.49Å; L242-Y245 PolarHBondContact O-N 3.23Å; D243-Y245 PolarHBondContact O-N 3.16Å
246	F	77.4	Confident	85.2	Confident	54 Å²	54	38 Å²	38	24%	0.237	21%	0.21	C	C	.	.	H	α-helix	trans	-83.1	-25.4	-169.1	-72.5	-79.6	0	0	0	114.6	L139 R142 I143 L242 G248	L139-F246 HydrophobicContact CD1-CE2 4Å; L139-F246 HydrophobicContact CD1-CZ 4.08Å; R142-F246 HydrophobicContact CB-CB 4.15Å; R142-F246 HydrophobicContact CB-CD1 3.98Å; R142-F246 HydrophobicContact CB-CD2 4.06Å; R142-F246 HydrophobicContact CB-CE1 4.39Å; R142-F246 HydrophobicContact CB-CE2 4.46Å; R142-F246 HydrophobicContact CB-CG 3.8Å; R142-F246 HydrophobicContact CG-CB 4.21Å; R142-F246 HydrophobicContact CG-CD2 4.41Å; R142-F246 HydrophobicContact CG-CG 4.27Å; I143-F246 HydrophobicContact CG1-CE1 4.27Å; I143-F246 HydrophobicContact CG1-CZ 4.28Å; L242-F246 HydrophobicContact CB-CD2 4.28Å; L242-F246 HydrophobicContact CD2-CE2 4.3Å; L242-F246 WeakPolarHBondContact O-CD2 3.39Å; L242-F246 PolarHBondContact O-N 3.34Å; F246-G248 PolarHBondContact O-N 3.11Å
247	S	78.8	Confident	85	Confident	13 Å²	13	39.7 Å²	39.7	9%	0.091	22%	0.22	C	C	.	.			trans	-71.5	121.6	-177.1	179.9	0	0	0	0	111.2	K197 D243 L249	K197-S247 PolarHBondContact NZ-O 2.84Å; D243-S247 WeakPolarHBondContact O-CB 3.39Å; D243-S247 PolarHBondContact O-N 2.98Å; S247-L249 VanDerWaalsContact C-N 3.34Å
248	G	76.8	Confident	84.7	Confident	76 Å²	76	40.8 Å²	40.8	78%	0.784	22%	0.224	S	C	*	.			trans	-86.4	6.2	175.3	0	0	0	0	0	115.2	F246	F246-G248 PolarHBondContact O-N 3.11Å
249	L	78.8	Confident	84.6	Confident	39 Å²	39	40.3 Å²	40.3	20%	0.204	22%	0.221	C	C	.	.			trans	-61.4	138.5	-177.8	-67.8	176.4	0	0	0	111.5	H149 S247 E253 R254	H149-L249 HydrophobicContact CB-CD1 3.91Å; H149-L249 HydrophobicContact CB-CD2 4.27Å; H149-L249 HydrophobicContact CB-CG 3.93Å; S247-L249 VanDerWaalsContact C-N 3.34Å; L249-E253 WeakPolarHBondContact CA-OE2 3.49Å; L249-E253 HydrophobicContact CB-CB 4.38Å; L249-E253 HydrophobicContact CD2-CB 4.38Å; L249-R254 HydrophobicContact CB-CG 3.61Å; L249-R254 HydrophobicContact CD1-CG 4.19Å
250	S	79.9	Confident	84.3	Confident	47 Å²	47	42.5 Å²	42.5	33%	0.329	23%	0.227	S	C	.	.			trans	-66.7	162.3	174.2	84.7	0	0	0	0	111.2	T252 E253 R254	S250-T252 VanDerWaalsContact C-N 3.29Å; S250-T252 PolarHBondContact O-N 3.15Å; S250-T252 PolarHBondContact OG-OG1 3.12Å; S250-E253 PolarHBondContact N-OE2 3.43Å; S250-E253 PolarHBondContact O-N 3.44Å; S250-E253 WeakPolarHBondContact OG-CB 3Å; S250-E253 VanDerWaalsContact OG-CG 3.24Å; S250-E253 WeakPolarHBondContact OG-CG 3.47Å; S250-E253 PolarHBondContact OG-N 3.36Å; S250-E253 VanDerWaalsContact OG-N 3.16Å; S250-R254 WeakPolarHBondContact O-CG 3.34Å; S250-R254 PolarHBondContact O-N 2.94Å
251	V	82.2	Confident	84	Confident	19 Å²	19	48.1 Å²	48.1	12%	0.115	25%	0.248	C	C	.	.	H	α-helix	trans	-55.4	-47.6	177.2	173.9	0	0	0	0	110.9	E253 R254 W255 E405 L406 C409	V251-E253 VanDerWaalsContact C-N 3.34Å; V251-E253 PolarHBondContact O-N 3.38Å; V251-R254 PolarHBondContact O-N 3.05Å; V251-W255 PolarHBondContact O-N 3.44Å; V251-E405 HydrophobicContact CG1-CB 3.56Å; V251-E405 HydrophobicContact CG2-CB 4.12Å; V251-L406 HydrophobicContact CG1-CD2 4.26Å; V251-C409 HydrophobicContact CB-CB 4.2Å; V251-C409 HydrophobicContact CG2-CB 4.18Å; V251-C409 WeakPolarHBondContact CG2-SG 3.45Å
252	T	80.8	Confident	83.7	Confident	19 Å²	19	47 Å²	47	12%	0.117	26%	0.255	C	S	.	.	H	α-helix	trans	-72.4	-30	-174.8	51.9	0	0	0	0	111.9	S250 K256 D344 L406	S250-T252 VanDerWaalsContact C-N 3.29Å; S250-T252 PolarHBondContact O-N 3.15Å; S250-T252 PolarHBondContact OG-OG1 3.12Å; T252-K256 PolarHBondContact O-N 3.23Å; T252-D344 WeakPolarHBondContact CB-OD1 3.43Å; T252-D344 VanDerWaalsContact CB-OD2 3.29Å; T252-D344 WeakPolarHBondContact CB-OD2 3.38Å; T252-D344 HydrophobicContact CG2-CB 4.46Å; T252-D344 WeakPolarHBondContact CG2-OD1 3.47Å; T252-D344 WeakPolarHBondContact CG2-OD2 3.36Å; T252-D344 PolarHBondContact OG1-OD1 3.19Å; T252-D344 PolarHBondContact OG1-OD2 3.4Å; T252-L406 HydrophobicContact CG2-CD2 4.12Å
253	E	84.2	Confident	83.7	Confident	91 Å²	91	50.7 Å²	50.7	43%	0.425	27%	0.269	S	S	.	.	H	α-helix	trans	-65.7	-47.8	169.7	-74	170.8	168.2	0	0	112.1	P151 L249 S250 V251 W255 K256	P151-E253 WeakPolarHBondContact CB-O 3.34Å; L249-E253 WeakPolarHBondContact CA-OE2 3.49Å; L249-E253 HydrophobicContact CB-CB 4.38Å; L249-E253 HydrophobicContact CD2-CB 4.38Å; S250-E253 PolarHBondContact N-OE2 3.43Å; S250-E253 PolarHBondContact O-N 3.44Å; S250-E253 WeakPolarHBondContact OG-CB 3Å; S250-E253 VanDerWaalsContact OG-CG 3.24Å; S250-E253 WeakPolarHBondContact OG-CG 3.47Å; S250-E253 PolarHBondContact OG-N 3.36Å; S250-E253 VanDerWaalsContact OG-N 3.16Å; V251-E253 VanDerWaalsContact C-N 3.34Å; V251-E253 PolarHBondContact O-N 3.38Å; E253-W255 PolarHBondContact O-N 3.48Å; E253-K256 WeakPolarHBondContact O-CB 3.47Å; E253-K256 PolarHBondContact O-N 3.42Å; E253-K256 VanDerWaalsContact O-N 3.15Å
254	R	88.2	Confident	83.7	Confident	21 Å²	21	56.1 Å²	56.1	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-62	-44.7	179.5	-66.6	177.9	-53.3	172.5	11.1	112	M196 L249 S250 V251 K256 P257 E405	M196-R254 PolarHBondContact O-NH1 3.44Å; M196-R254 PolarHBondContact O-NH2 3.08Å; L249-R254 HydrophobicContact CB-CG 3.61Å; L249-R254 HydrophobicContact CD1-CG 4.19Å; S250-R254 WeakPolarHBondContact O-CG 3.34Å; S250-R254 PolarHBondContact O-N 2.94Å; V251-R254 PolarHBondContact O-N 3.05Å; R254-K256 PolarHBondContact O-N 3.26Å; R254-P257 WeakPolarHBondContact O-CD 3.31Å; R254-E405 IonicContact CZ-OE1 2.83Å; R254-E405 IonicContact CZ-OE2 3.42Å; R254-E405 IonicContact NH1-OE1 2.68Å; R254-E405 IonicContact NH2-OE1 3.86Å; R254-E405 PolarHBondContact NH2-OE1 3.25Å; R254-E405 IonicContact NH2-OE2 3.98Å; R254-E405 PolarHBondContact NH2-OE2 3.46Å
255	W	89.6	Confident	83.9	Confident	9 Å²	9	56.3 Å²	56.3	3%	0.034	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-1	178.8	-71.6	103.3	0	0	0	113.5	M196 V251 E253 Y258 L259 M398 L402 E405	M196-W255 HydrophobicContact CB-CH2 4Å; M196-W255 HydrophobicContact CB-CZ2 3.63Å; M196-W255 HydrophobicContact CG-CD2 4.3Å; M196-W255 HydrophobicContact CG-CE3 4.21Å; M196-W255 HydrophobicContact CG-CH2 3.78Å; M196-W255 HydrophobicContact CG-CZ2 3.86Å; M196-W255 HydrophobicContact CG-CZ3 3.96Å; M196-W255 HydrophobicContact SD-CD2 3.73Å; M196-W255 HydrophobicContact SD-CE3 3.74Å; M196-W255 HydrophobicContact SD-CG 4.25Å; M196-W255 HydrophobicContact SD-CH2 4.39Å; M196-W255 HydrophobicContact SD-CZ2 4.38Å; M196-W255 HydrophobicContact SD-CZ3 4.09Å; V251-W255 PolarHBondContact O-N 3.44Å; E253-W255 PolarHBondContact O-N 3.48Å; W255-Y258 HydrophobicContact CE3-CD1 4.28Å; W255-Y258 HydrophobicContact CE3-CG 4.43Å; W255-Y258 WeakPolarHBondContact O-CA 3.41Å; W255-Y258 WeakPolarHBondContact O-CB 3.38Å; W255-Y258 PolarHBondContact O-N 2.95Å; W255-L259 HydrophobicContact CB-CD1 3.82Å; W255-L259 HydrophobicContact CB-CG 3.99Å; W255-L259 WeakPolarHBondContact O-CG 3.41Å; W255-L259 PolarHBondContact O-N 3.45Å; W255-M398 HydrophobicContact CH2-CB 4.22Å; W255-M398 WeakPolarHBondContact CH2-O 3.41Å; W255-L402 HydrophobicContact CB-CD1 4.45Å; W255-L402 HydrophobicContact CD2-CD1 3.55Å; W255-L402 HydrophobicContact CE3-CD1 3.68Å; W255-L402 HydrophobicContact CG-CD1 3.91Å; W255-L402 HydrophobicContact CH2-CB 3.8Å; W255-L402 HydrophobicContact CH2-CD1 4.39Å; W255-L402 HydrophobicContact CZ2-CB 3.81Å; W255-L402 HydrophobicContact CZ2-CD1 4.29Å; W255-L402 HydrophobicContact CZ3-CB 4.19Å; W255-L402 HydrophobicContact CZ3-CD1 4.1Å; W255-E405 PolarHBondContact NE1-OE2 3.06Å
256	K	87.7	Confident	84.1	Confident	103 Å²	103	52.1 Å²	52.1	45%	0.448	28%	0.283	S	S	.	.	H	α-helix	trans	-48.9	-45.3	-179.5	-173.6	179.6	-176	174.5	0	114.1	P151 T252 E253 R254 Y258 L259 Y260	P151-K256 HydrophobicContact CB-CB 4.36Å; P151-K256 HydrophobicContact CG-CD 4.21Å; T252-K256 PolarHBondContact O-N 3.23Å; E253-K256 WeakPolarHBondContact O-CB 3.47Å; E253-K256 PolarHBondContact O-N 3.42Å; E253-K256 VanDerWaalsContact O-N 3.15Å; R254-K256 PolarHBondContact O-N 3.26Å; K256-Y258 PolarHBondContact O-N 3.31Å; K256-L259 PolarHBondContact O-N 3.27Å; K256-Y260 HydrophobicContact CB-CD2 4.33Å; K256-Y260 HydrophobicContact CG-CD2 3.59Å; K256-Y260 HydrophobicContact CG-CE2 3.93Å; K256-Y260 HydrophobicContact CG-CG 4.34Å; K256-Y260 WeakPolarHBondContact O-CB 3.41Å; K256-Y260 WeakPolarHBondContact O-CD2 3.45Å; K256-Y260 PolarHBondContact O-N 3.49Å
257	P	87.6	Confident	84.6	Confident	39 Å²	39	53.9 Å²	53.9	25%	0.253	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-28.7	-179.9	-22.9	36.1	0	0	0	113.1	P151 L153 R254	P151-P257 HydrophobicContact CB-CG 4.33Å; P151-P257 VanDerWaalsContact O-CG 3.25Å; P151-P257 WeakPolarHBondContact O-CG 3.34Å; L153-P257 HydrophobicContact CD1-CB 4.5Å; L153-P257 HydrophobicContact CG-CB 4.07Å; R254-P257 WeakPolarHBondContact O-CD 3.31Å
258	Y	87.5	Confident	85.1	Confident	31 Å²	31	57.8 Å²	57.8	12%	0.122	31%	0.307	C	S	.	.	H	α-helix	trans	-87.3	-47.9	177.9	-174.1	-104.2	0	0	0	111.6	W255 K256 Y260 R261 F322 H323 L402	W255-Y258 HydrophobicContact CE3-CD1 4.28Å; W255-Y258 HydrophobicContact CE3-CG 4.43Å; W255-Y258 WeakPolarHBondContact O-CA 3.41Å; W255-Y258 WeakPolarHBondContact O-CB 3.38Å; W255-Y258 PolarHBondContact O-N 2.95Å; K256-Y258 PolarHBondContact O-N 3.31Å; Y258-Y260 PolarHBondContact O-N 3.3Å; Y258-R261 WeakPolarHBondContact O-CB 3.45Å; Y258-R261 PolarHBondContact O-N 3.35Å; Y258-F322 HydrophobicContact CE1-CE1 4.47Å; Y258-H323 AromaticContact CE1-CE1 3.73Å; Y258-H323 AromaticContact CZ-CE1 3.55Å; Y258-H323 AromaticContact CZ-NE2 3.77Å; Y258-H323 PolarHBondContact OH-CE1 2.84Å; Y258-H323 PolarHBondContact OH-NE2 3.08Å; Y258-L402 HydrophobicContact CD1-CD2 4.22Å; Y258-L402 HydrophobicContact CE1-CD2 3.69Å
259	L	87.8	Confident	85.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-38	-176.9	-68.5	175.7	0	0	0	112.8	W255 K256 R266 F322 L326 H330 M347 L406	W255-L259 HydrophobicContact CB-CD1 3.82Å; W255-L259 HydrophobicContact CB-CG 3.99Å; W255-L259 WeakPolarHBondContact O-CG 3.41Å; W255-L259 PolarHBondContact O-N 3.45Å; K256-L259 PolarHBondContact O-N 3.27Å; L259-R266 PolarHBondContact O-NH1 3.4Å; L259-F322 HydrophobicContact CD2-CZ 4.22Å; L259-L326 HydrophobicContact CD2-CD1 4.31Å; L259-L326 HydrophobicContact CD2-CD2 3.97Å; L259-H330 PolarHBondContact O-NE2 2.5Å; L259-M347 HydrophobicContact CD2-CE 4.45Å; L259-L406 HydrophobicContact CD2-CD1 4.39Å
260	Y	84.9	Confident	86.2	Confident	79 Å²	79	54 Å²	54	31%	0.31	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-0.9	-178	-75.8	-99.4	0	0	0	114.2	K256 Y258 Y333 L343	K256-Y260 HydrophobicContact CB-CD2 4.33Å; K256-Y260 HydrophobicContact CG-CD2 3.59Å; K256-Y260 HydrophobicContact CG-CE2 3.93Å; K256-Y260 HydrophobicContact CG-CG 4.34Å; K256-Y260 WeakPolarHBondContact O-CB 3.41Å; K256-Y260 WeakPolarHBondContact O-CD2 3.45Å; K256-Y260 PolarHBondContact O-N 3.49Å; Y258-Y260 PolarHBondContact O-N 3.3Å; Y260-Y333 HydrophobicContact CE1-CE1 4.27Å; Y260-L343 HydrophobicContact CD2-CD2 4.23Å; Y260-L343 HydrophobicContact CE1-CD2 4.25Å; Y260-L343 HydrophobicContact CE2-CD2 3.65Å; Y260-L343 WeakPolarHBondContact OH-CB 3.39Å
261	R	84.1	Confident	86.8	Confident	117 Å²	117	55.7 Å²	55.7	44%	0.442	28%	0.276	S	S	.	.	S	Bend	trans	-67.2	146.4	-178.4	-145.9	171.2	-176.7	-174.1	-8.6	111.3	Y258 C265 R266	Y258-R261 WeakPolarHBondContact O-CB 3.45Å; Y258-R261 PolarHBondContact O-N 3.35Å; R261-C265 HydrophobicContact CG-CB 3.97Å; R261-C265 PolarHBondContact NE-SG 3.21Å; R261-C265 PolarHBondContact NH2-SG 3.35Å; R261-R266 HydrophobicContact CB-CG 4.04Å; R261-R266 WeakPolarHBondContact O-CD 3.37Å; R261-R266 PolarHBondContact O-NE 3.16Å; R261-R266 PolarHBondContact O-NH1 3.01Å
262	G	84.3	Confident	87.2	Confident	48 Å²	48	58 Å²	58	50%	0.495	29%	0.293	S	S	.	.			trans	-58.6	154	-177.8	0	0	0	0	0	114.1	I264 C265 R266	G262-I264 VanDerWaalsContact C-N 3.31Å; G262-I264 PolarHBondContact O-N 3.15Å; G262-C265 PolarHBondContact O-N 3.12Å; G262-R266 PolarHBondContact O-N 2.96Å
263	K	86.8	Confident	87.8	Confident	111 Å²	111	57.9 Å²	57.9	48%	0.483	29%	0.293	S	S	.	.	H	α-helix	trans	-49.2	-47.5	-178.2	177.3	178.8	179	-178	0	113.3	R267	K263-R267 WeakPolarHBondContact O-CG 3.49Å; K263-R267 PolarHBondContact O-N 3.45Å; K263-R267 VanDerWaalsContact O-N 3.1Å
264	I	86.3	Confident	88.2	Confident	130 Å²	130	54.5 Å²	54.5	67%	0.667	28%	0.282	S	S	*	.	H	α-helix	trans	-63.4	-45.9	-178.5	-65	165.5	0	0	0	110.1	G262 R266 R267 L268	G262-I264 VanDerWaalsContact C-N 3.31Å; G262-I264 PolarHBondContact O-N 3.15Å; I264-R266 PolarHBondContact O-N 3.36Å; I264-R267 PolarHBondContact O-N 2.89Å; I264-L268 HydrophobicContact CG2-CD1 3.95Å; I264-L268 HydrophobicContact CG2-CG 4.35Å; I264-L268 WeakPolarHBondContact O-CG 3.37Å; I264-L268 PolarHBondContact O-N 3.31Å
265	C	86	Confident	88.5	Confident	40 Å²	40	57 Å²	57	27%	0.27	30%	0.299	S	S	.	.	H	α-helix	trans	-68.2	-36.6	-176.1	-160	0	0	0	0	112.5	R261 G262 L268 S269	R261-C265 HydrophobicContact CG-CB 3.97Å; R261-C265 PolarHBondContact NE-SG 3.21Å; R261-C265 PolarHBondContact NH2-SG 3.35Å; G262-C265 PolarHBondContact O-N 3.12Å; C265-L268 PolarHBondContact O-N 2.93Å; C265-S269 PolarHBondContact O-N 2.91Å
266	R	86.3	Confident	88.8	Confident	9 Å²	9	59 Å²	59	3%	0.034	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-43.7	171.7	-67.8	-171.7	-61.1	-124.8	-7.6	112	L259 R261 G262 I264 S269 V270 N327 H330	L259-R266 PolarHBondContact O-NH1 3.4Å; R261-R266 HydrophobicContact CB-CG 4.04Å; R261-R266 WeakPolarHBondContact O-CD 3.37Å; R261-R266 PolarHBondContact O-NE 3.16Å; R261-R266 PolarHBondContact O-NH1 3.01Å; G262-R266 PolarHBondContact O-N 2.96Å; I264-R266 PolarHBondContact O-N 3.36Å; R266-S269 VanDerWaalsContact O-CB 3.27Å; R266-S269 WeakPolarHBondContact O-CB 3.45Å; R266-S269 PolarHBondContact O-N 2.92Å; R266-V270 PolarHBondContact O-N 3.47Å; R266-V270 VanDerWaalsContact O-N 3.12Å; R266-N327 PolarHBondContact NH2-OD1 3.42Å; R266-H330 PolarHBondContact NH1-CD2 3.45Å; R266-H330 PolarHBondContact NH1-NE2 2.9Å
267	R	87.9	Confident	89.1	Confident	90 Å²	90	54.4 Å²	54.4	34%	0.34	29%	0.29	S	S	.	.	H	α-helix	trans	-62.8	-42.9	175.9	-75	-176.3	174.2	-167.4	-5	112.5	K263 I264 S269 V270 I271 W320	K263-R267 WeakPolarHBondContact O-CG 3.49Å; K263-R267 PolarHBondContact O-N 3.45Å; K263-R267 VanDerWaalsContact O-N 3.1Å; I264-R267 PolarHBondContact O-N 2.89Å; R267-S269 VanDerWaalsContact C-N 3.28Å; R267-S269 PolarHBondContact O-N 3.11Å; R267-V270 PolarHBondContact O-N 2.95Å; R267-I271 WeakPolarHBondContact O-CG1 2.93Å; R267-I271 PolarHBondContact O-N 3.05Å; R267-I271 VanDerWaalsContact O-N 3.07Å; R267-W320 HydrophobicContact CB-CH2 4.39Å; R267-W320 HydrophobicContact CB-CZ3 4.32Å; R267-W320 HydrophobicContact CG-CH2 3.97Å; R267-W320 HydrophobicContact CG-CZ3 4.12Å
268	L	88.9	Confident	89.5	Confident	96 Å²	96	56.8 Å²	56.8	50%	0.503	30%	0.301	S	S	.	.	H	α-helix	trans	-60.5	-40.6	173.9	-72.7	173.6	0	0	0	111.1	I264 C265 V270 I271 S272	I264-L268 HydrophobicContact CG2-CD1 3.95Å; I264-L268 HydrophobicContact CG2-CG 4.35Å; I264-L268 WeakPolarHBondContact O-CG 3.37Å; I264-L268 PolarHBondContact O-N 3.31Å; C265-L268 PolarHBondContact O-N 2.93Å; L268-V270 PolarHBondContact O-N 3.23Å; L268-I271 PolarHBondContact O-N 2.91Å; L268-S272 WeakPolarHBondContact O-CB 3.5Å; L268-S272 PolarHBondContact O-N 2.99Å; L268-S272 PolarHBondContact O-OG 3.27Å
269	S	88.5	Confident	89.8	Confident	35 Å²	35	59.4 Å²	59.4	25%	0.245	32%	0.316	C	S	.	.	H	α-helix	trans	-56.6	-47.1	175	-166.6	0	0	0	0	111.9	C265 R266 R267 I271 S272 V273	C265-S269 PolarHBondContact O-N 2.91Å; R266-S269 VanDerWaalsContact O-CB 3.27Å; R266-S269 WeakPolarHBondContact O-CB 3.45Å; R266-S269 PolarHBondContact O-N 2.92Å; R267-S269 VanDerWaalsContact C-N 3.28Å; R267-S269 PolarHBondContact O-N 3.11Å; S269-I271 PolarHBondContact O-N 3.29Å; S269-S272 PolarHBondContact O-N 3.04Å; S269-V273 VanDerWaalsContact O-CG2 3.31Å; S269-V273 WeakPolarHBondContact O-CG2 3.4Å; S269-V273 PolarHBondContact O-N 2.99Å
270	V	90.7	Very high	90.2	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-41.7	178.6	-179.9	0	0	0	0	111.7	R266 R267 L268 S272 V273 G274 F316 L319 W320 H323	R266-V270 PolarHBondContact O-N 3.47Å; R266-V270 VanDerWaalsContact O-N 3.12Å; R267-V270 PolarHBondContact O-N 2.95Å; L268-V270 PolarHBondContact O-N 3.23Å; V270-S272 VanDerWaalsContact C-N 3.34Å; V270-V273 WeakPolarHBondContact O-CB 3.34Å; V270-V273 PolarHBondContact O-N 3.06Å; V270-G274 PolarHBondContact O-N 2.97Å; V270-F316 HydrophobicContact CG1-CD2 3.85Å; V270-F316 HydrophobicContact CG1-CE1 4.46Å; V270-F316 HydrophobicContact CG1-CE2 3.46Å; V270-F316 VanDerWaalsContact CG1-CE2 3.46Å; V270-F316 HydrophobicContact CG1-CZ 3.8Å; V270-L319 HydrophobicContact CG1-CB 4.25Å; V270-L319 HydrophobicContact CG2-CB 4.4Å; V270-W320 HydrophobicContact CG1-CE3 4.19Å; V270-H323 WeakPolarHBondContact CG2-CD2 3.32Å; V270-H323 WeakPolarHBondContact CG2-NE2 3.25Å
271	I	92.1	Very high	90.8	Very high	81 Å²	81	57.4 Å²	57.4	42%	0.415	31%	0.309	S	S	.	.	H	α-helix	trans	-63	-43.7	176.3	-66.4	163.6	0	0	0	110.2	R267 L268 S269 V273 G274 V275	R267-I271 WeakPolarHBondContact O-CG1 2.93Å; R267-I271 PolarHBondContact O-N 3.05Å; R267-I271 VanDerWaalsContact O-N 3.07Å; L268-I271 PolarHBondContact O-N 2.91Å; S269-I271 PolarHBondContact O-N 3.29Å; I271-V273 VanDerWaalsContact C-N 3.33Å; I271-V273 PolarHBondContact O-N 3.33Å; I271-G274 PolarHBondContact O-N 3.01Å; I271-V275 HydrophobicContact CG2-CG2 4.43Å; I271-V275 WeakPolarHBondContact O-CG2 3.28Å; I271-V275 PolarHBondContact O-N 3.06Å
272	S	91.7	Very high	91.3	Very high	67 Å²	67	55.5 Å²	55.5	47%	0.469	31%	0.307	S	S	.	.	H	α-helix	trans	-60.6	-41.4	176.5	-61.4	0	0	0	0	112.2	L268 S269 V270 V275 I276	L268-S272 WeakPolarHBondContact O-CB 3.5Å; L268-S272 PolarHBondContact O-N 2.99Å; L268-S272 PolarHBondContact O-OG 3.27Å; S269-S272 PolarHBondContact O-N 3.04Å; V270-S272 VanDerWaalsContact C-N 3.34Å; S272-V275 PolarHBondContact O-N 3.13Å; S272-I276 WeakPolarHBondContact O-CG1 3.46Å; S272-I276 PolarHBondContact O-N 3.24Å
273	V	92.6	Very high	91.8	Very high	18 Å²	18	54.2 Å²	54.2	11%	0.109	29%	0.288	C	S	.	.	H	α-helix	trans	-57.5	-52.8	173.1	167.1	0	0	0	0	110.7	S269 V270 I271 V275 I276 E277 F315 L319 L395	S269-V273 VanDerWaalsContact O-CG2 3.31Å; S269-V273 WeakPolarHBondContact O-CG2 3.4Å; S269-V273 PolarHBondContact O-N 2.99Å; V270-V273 WeakPolarHBondContact O-CB 3.34Å; V270-V273 PolarHBondContact O-N 3.06Å; I271-V273 VanDerWaalsContact C-N 3.33Å; I271-V273 PolarHBondContact O-N 3.33Å; V273-V275 VanDerWaalsContact C-N 3.28Å; V273-V275 PolarHBondContact O-N 3.04Å; V273-I276 PolarHBondContact O-N 3.17Å; V273-I276 VanDerWaalsContact O-N 3.11Å; V273-E277 PolarHBondContact O-N 3.38Å; V273-F315 HydrophobicContact CG1-CE1 3.8Å; V273-F315 HydrophobicContact CG1-CZ 4.45Å; V273-L319 HydrophobicContact CG1-CD1 4.45Å; V273-L395 HydrophobicContact CB-CD2 4.07Å; V273-L395 HydrophobicContact CG1-CD2 3.38Å; V273-L395 HydrophobicContact CG2-CD1 4.08Å; V273-L395 HydrophobicContact CG2-CD2 3.71Å; V273-L395 HydrophobicContact CG2-CG 4.23Å
274	G	92.9	Very high	92.1	Very high	19 Å²	19	49 Å²	49	20%	0.196	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-33.8	-179.6	0	0	0	0	0	113.6	V270 I271 L278	V270-G274 PolarHBondContact O-N 2.97Å; I271-G274 PolarHBondContact O-N 3.01Å; G274-L278 VanDerWaalsContact O-CB 3.29Å; G274-L278 WeakPolarHBondContact O-CB 3.49Å; G274-L278 PolarHBondContact O-N 3.15Å
275	V	95	Very high	92.3	Very high	74 Å²	74	44.1 Å²	44.1	45%	0.448	25%	0.245	S	C	.	.	H	α-helix	trans	-66.6	-43.4	174.3	170.7	0	0	0	0	111.4	I271 S272 V273 L278 I279	I271-V275 HydrophobicContact CG2-CG2 4.43Å; I271-V275 WeakPolarHBondContact O-CG2 3.28Å; I271-V275 PolarHBondContact O-N 3.06Å; S272-V275 PolarHBondContact O-N 3.13Å; V273-V275 VanDerWaalsContact C-N 3.28Å; V273-V275 PolarHBondContact O-N 3.04Å; V275-L278 PolarHBondContact O-N 3.25Å; V275-I279 HydrophobicContact CG1-CD1 3.87Å; V275-I279 HydrophobicContact CG1-CG1 4.5Å; V275-I279 VanDerWaalsContact O-CG1 3.25Å; V275-I279 WeakPolarHBondContact O-CG1 3.34Å; V275-I279 PolarHBondContact O-N 3.45Å
276	I	94.8	Very high	92.5	Very high	50 Å²	50	48.4 Å²	48.4	26%	0.256	26%	0.259	S	S	.	.	H	α-helix	trans	-64	-43.6	178.5	-67.9	167.2	0	0	0	110.7	S272 V273 I279 F280 I391 V392 L395	S272-I276 WeakPolarHBondContact O-CG1 3.46Å; S272-I276 PolarHBondContact O-N 3.24Å; V273-I276 PolarHBondContact O-N 3.17Å; V273-I276 VanDerWaalsContact O-N 3.11Å; I276-I279 PolarHBondContact O-N 3.28Å; I276-F280 PolarHBondContact O-N 3.42Å; I276-I391 HydrophobicContact CG2-CG2 3.83Å; I276-V392 HydrophobicContact CG2-CG2 3.98Å; I276-L395 HydrophobicContact CD1-CD1 4.28Å
277	E	94.8	Very high	92.6	Very high	7 Å²	7	49.5 Å²	49.5	3%	0.033	26%	0.264	C	S	.	.	H	α-helix	trans	-63.3	-42.1	176.3	-72.7	173.9	177.2	0	0	112.1	V273 I279 F280 F281 W308 H312 F315 V392	V273-E277 PolarHBondContact O-N 3.38Å; E277-I279 VanDerWaalsContact C-N 3.35Å; E277-I279 PolarHBondContact O-N 3.05Å; E277-F280 WeakPolarHBondContact O-CB 3.39Å; E277-F280 PolarHBondContact O-N 3.11Å; E277-F281 PolarHBondContact O-N 2.93Å; E277-W308 HydrophobicContact CB-CH2 4.02Å; E277-W308 HydrophobicContact CB-CZ2 4.1Å; E277-W308 WeakPolarHBondContact O-CH2 3.41Å; E277-H312 IonicContact OE1-CD2 2.72Å; E277-H312 IonicContact OE2-CD2 3.91Å; E277-H312 PolarHBondContact OE2-CD2 3.35Å; E277-F315 WeakPolarHBondContact OE1-CE1 3.3Å; E277-V392 HydrophobicContact CG-CG1 4.29Å
278	L	95.2	Very high	92.5	Very high	90 Å²	90	48.2 Å²	48.2	47%	0.471	26%	0.263	S	S	.	.	H	α-helix	trans	-63.1	-41.5	175.3	-178.4	64.1	0	0	0	111.7	G274 V275 F280 F281 I282	G274-L278 VanDerWaalsContact O-CB 3.29Å; G274-L278 WeakPolarHBondContact O-CB 3.49Å; G274-L278 PolarHBondContact O-N 3.15Å; V275-L278 PolarHBondContact O-N 3.25Å; L278-F280 VanDerWaalsContact C-N 3.33Å; L278-F280 PolarHBondContact O-N 3.06Å; L278-F281 PolarHBondContact O-N 3.29Å; L278-I282 HydrophobicContact CD1-CD1 4.4Å; L278-I282 HydrophobicContact CG-CD1 4.02Å; L278-I282 VanDerWaalsContact O-CG1 3.3Å; L278-I282 WeakPolarHBondContact O-CG1 3.18Å; L278-I282 PolarHBondContact O-N 2.93Å
279	I	95.4	Very high	92.1	Very high	86 Å²	86	46.8 Å²	46.8	44%	0.441	27%	0.272	S	S	.	.	H	α-helix	trans	-60	-45.5	174.5	-70.8	164.8	0	0	0	110.1	V275 I276 E277 F281 I282 L283	V275-I279 HydrophobicContact CG1-CD1 3.87Å; V275-I279 HydrophobicContact CG1-CG1 4.5Å; V275-I279 VanDerWaalsContact O-CG1 3.25Å; V275-I279 WeakPolarHBondContact O-CG1 3.34Å; V275-I279 PolarHBondContact O-N 3.45Å; I276-I279 PolarHBondContact O-N 3.28Å; E277-I279 VanDerWaalsContact C-N 3.35Å; E277-I279 PolarHBondContact O-N 3.05Å; I279-F281 VanDerWaalsContact C-N 3.33Å; I279-F281 PolarHBondContact O-N 3.35Å; I279-I282 PolarHBondContact O-N 3.44Å; I279-L283 HydrophobicContact CG2-CD1 3.88Å; I279-L283 HydrophobicContact CG2-CG 4.32Å; I279-L283 WeakPolarHBondContact O-CB 3.47Å; I279-L283 VanDerWaalsContact O-CG 3.26Å; I279-L283 WeakPolarHBondContact O-CG 3.4Å; I279-L283 PolarHBondContact O-N 3Å
280	F	96.1	Very high	91.6	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.4	-44.3	175.2	168.3	-104	0	0	0	112	I276 E277 L278 I282 L283 A284 W308 T370 L373 F385 A388 F389 V392	I276-F280 PolarHBondContact O-N 3.42Å; E277-F280 WeakPolarHBondContact O-CB 3.39Å; E277-F280 PolarHBondContact O-N 3.11Å; L278-F280 VanDerWaalsContact C-N 3.33Å; L278-F280 PolarHBondContact O-N 3.06Å; F280-I282 PolarHBondContact O-N 3.46Å; F280-L283 PolarHBondContact O-N 3.44Å; F280-A284 WeakPolarHBondContact O-CB 3.49Å; F280-A284 PolarHBondContact O-N 3.29Å; F280-W308 HydrophobicContact CD1-CZ2 4.21Å; F280-T370 HydrophobicContact CE1-CG2 4Å; F280-T370 HydrophobicContact CZ-CG2 4.3Å; F280-L373 HydrophobicContact CE1-CD2 4.16Å; F280-F385 HydrophobicContact CD2-CE2 4.38Å; F280-F385 HydrophobicContact CE2-CD2 4.44Å; F280-F385 AromaticContact CE2-CE2 3.76Å; F280-F385 HydrophobicContact CE2-CE2 3.76Å; F280-F385 HydrophobicContact CE2-CZ 4.15Å; F280-F385 HydrophobicContact CZ-CE2 4.45Å; F280-A388 HydrophobicContact CD2-CB 4.35Å; F280-F389 HydrophobicContact CD2-CB 4.44Å; F280-F389 HydrophobicContact CE2-CB 3.91Å; F280-F389 AromaticContact CE2-CD2 3.81Å; F280-F389 HydrophobicContact CE2-CD2 3.81Å; F280-F389 HydrophobicContact CE2-CG 4.35Å; F280-F389 AromaticContact CZ-CD2 3.9Å; F280-F389 HydrophobicContact CZ-CD2 3.9Å; F280-V392 HydrophobicContact CB-CG2 3.86Å; F280-V392 HydrophobicContact CG-CG2 4.16Å
281	F	95.9	Very high	90.8	Very high	36 Å²	36	54.3 Å²	54.3	16%	0.158	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-42.8	177.3	-174.9	-101.2	0	0	0	112.7	E277 L278 I279 A284 A285 F301 W308 M309 L373	E277-F281 PolarHBondContact O-N 2.93Å; L278-F281 PolarHBondContact O-N 3.29Å; I279-F281 VanDerWaalsContact C-N 3.33Å; I279-F281 PolarHBondContact O-N 3.35Å; F281-A284 WeakPolarHBondContact O-CB 3.35Å; F281-A284 PolarHBondContact O-N 3.45Å; F281-A285 PolarHBondContact O-N 3.23Å; F281-F301 HydrophobicContact CE1-CZ 4.39Å; F281-F301 HydrophobicContact CE2-CZ 4.04Å; F281-F301 HydrophobicContact CZ-CE1 4.33Å; F281-F301 AromaticContact CZ-CZ 3.84Å; F281-F301 HydrophobicContact CZ-CZ 3.84Å; F281-W308 HydrophobicContact CB-CE3 4.23Å; F281-W308 HydrophobicContact CB-CH2 3.76Å; F281-W308 HydrophobicContact CB-CZ2 4.44Å; F281-W308 HydrophobicContact CB-CZ3 3.62Å; F281-W308 AromaticContact CD2-CD2 3.93Å; F281-W308 HydrophobicContact CD2-CD2 3.93Å; F281-W308 AromaticContact CD2-CE3 3.28Å; F281-W308 HydrophobicContact CD2-CE3 3.28Å; F281-W308 HydrophobicContact CD2-CH2 4.37Å; F281-W308 AromaticContact CD2-CZ3 3.55Å; F281-W308 HydrophobicContact CD2-CZ3 3.55Å; F281-W308 AromaticContact CE2-CE3 3.84Å; F281-W308 HydrophobicContact CE2-CE3 3.84Å; F281-W308 HydrophobicContact CE2-CZ3 4.39Å; F281-W308 AromaticContact CG-CE3 3.94Å; F281-W308 HydrophobicContact CG-CE3 3.94Å; F281-W308 HydrophobicContact CG-CH2 4.34Å; F281-W308 AromaticContact CG-CZ3 3.69Å; F281-W308 HydrophobicContact CG-CZ3 3.69Å; F281-M309 HydrophobicContact CD1-SD 4.16Å; F281-M309 HydrophobicContact CD2-SD 4.33Å; F281-M309 HydrophobicContact CE1-CG 4.36Å; F281-M309 HydrophobicContact CE1-SD 4.03Å; F281-M309 HydrophobicContact CE2-CG 3.95Å; F281-M309 HydrophobicContact CE2-SD 4.2Å; F281-M309 HydrophobicContact CG-SD 4.31Å; F281-M309 HydrophobicContact CZ-CG 3.83Å; F281-M309 HydrophobicContact CZ-SD 4.05Å; F281-L373 HydrophobicContact CD2-CD2 3.87Å; F281-L373 HydrophobicContact CE2-CD2 4.27Å
282	I	94.9	Very high	90	Very high	78 Å²	78	57.4 Å²	57.4	40%	0.4	33%	0.326	S	S	.	.	H	α-helix	trans	-63	-43.9	175.6	-67.2	164.9	0	0	0	110.5	L278 I279 F280 A284 A285 F286	L278-I282 HydrophobicContact CD1-CD1 4.4Å; L278-I282 HydrophobicContact CG-CD1 4.02Å; L278-I282 VanDerWaalsContact O-CG1 3.3Å; L278-I282 WeakPolarHBondContact O-CG1 3.18Å; L278-I282 PolarHBondContact O-N 2.93Å; I279-I282 PolarHBondContact O-N 3.44Å; F280-I282 PolarHBondContact O-N 3.46Å; I282-A284 VanDerWaalsContact C-N 3.31Å; I282-A284 PolarHBondContact O-N 2.93Å; I282-A285 WeakPolarHBondContact O-CB 3.18Å; I282-A285 PolarHBondContact O-N 3.26Å; I282-A285 VanDerWaalsContact O-N 3.14Å; I282-F286 HydrophobicContact CG2-CE1 4.41Å; I282-F286 HydrophobicContact CG2-CE2 4.24Å; I282-F286 HydrophobicContact CG2-CZ 3.94Å; I282-F286 PolarHBondContact O-N 2.91Å
283	L	94.3	Very high	89.3	Confident	21 Å²	21	59.4 Å²	59.4	11%	0.11	33%	0.331	C	S	.	.	H	α-helix	trans	-62.9	-38.1	176.4	-69.8	170.3	0	0	0	111.9	I279 F280 A285 F286 Q379 I384 F385 A388	I279-L283 HydrophobicContact CG2-CD1 3.88Å; I279-L283 HydrophobicContact CG2-CG 4.32Å; I279-L283 WeakPolarHBondContact O-CB 3.47Å; I279-L283 VanDerWaalsContact O-CG 3.26Å; I279-L283 WeakPolarHBondContact O-CG 3.4Å; I279-L283 PolarHBondContact O-N 3Å; F280-L283 PolarHBondContact O-N 3.44Å; L283-A285 VanDerWaalsContact C-N 3.34Å; L283-F286 HydrophobicContact CD2-CD2 4.07Å; L283-F286 HydrophobicContact CD2-CE2 4.05Å; L283-F286 PolarHBondContact O-N 2.86Å; L283-Q379 PolarHBondContact O-NE2 3.23Å; L283-I384 HydrophobicContact CD1-CG2 3.87Å; L283-I384 HydrophobicContact CD2-CG2 4.01Å; L283-F385 HydrophobicContact CB-CD2 4.13Å; L283-A388 HydrophobicContact CD1-CB 3.7Å
284	A	93.2	Very high	88.7	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-63.4	-40.7	173.4	0	0	0	0	0	111.3	F280 F281 I282 F286 K287 F301 L373 C377 F385	F280-A284 WeakPolarHBondContact O-CB 3.49Å; F280-A284 PolarHBondContact O-N 3.29Å; F281-A284 WeakPolarHBondContact O-CB 3.35Å; F281-A284 PolarHBondContact O-N 3.45Å; I282-A284 VanDerWaalsContact C-N 3.31Å; I282-A284 PolarHBondContact O-N 2.93Å; A284-F286 VanDerWaalsContact C-N 3.26Å; A284-F286 PolarHBondContact O-N 3.46Å; A284-K287 VanDerWaalsContact O-CB 3.23Å; A284-K287 WeakPolarHBondContact O-CB 3.35Å; A284-K287 PolarHBondContact O-N 3.47Å; A284-F301 HydrophobicContact CB-CE2 4.14Å; A284-L373 HydrophobicContact CB-CD2 4.44Å; A284-L373 HydrophobicContact CB-CG 4.48Å; A284-C377 HydrophobicContact CB-CB 3.98Å; A284-F385 HydrophobicContact CB-CE2 3.99Å
285	A	91.9	Very high	88.2	Confident	28 Å²	28	71 Å²	71	23%	0.231	37%	0.368	C	S	.	.	H	α-helix	trans	-62.9	-29	178.9	0	0	0	0	0	113.1	F281 I282 L283 K287 L288 F301	F281-A285 PolarHBondContact O-N 3.23Å; I282-A285 WeakPolarHBondContact O-CB 3.18Å; I282-A285 PolarHBondContact O-N 3.26Å; I282-A285 VanDerWaalsContact O-N 3.14Å; L283-A285 VanDerWaalsContact C-N 3.34Å; A285-K287 PolarHBondContact O-N 3.44Å; A285-K287 VanDerWaalsContact O-N 3.08Å; A285-L288 VanDerWaalsContact O-CB 3.25Å; A285-L288 WeakPolarHBondContact O-CB 3.48Å; A285-L288 WeakPolarHBondContact O-CG 3.39Å; A285-L288 PolarHBondContact O-N 3.26Å; A285-F301 VanDerWaalsContact CA-CE2 3.5Å; A285-F301 HydrophobicContact CB-CE1 4.36Å; A285-F301 HydrophobicContact CB-CE2 4.02Å; A285-F301 HydrophobicContact CB-CZ 3.59Å
286	F	90.4	Very high	87.6	Confident	130 Å²	130	75.7 Å²	75.7	57%	0.57	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-59.9	-19.5	174	-66.8	-35.6	0	0	0	113.6	I282 L283 A284 L288 G289	I282-F286 HydrophobicContact CG2-CE1 4.41Å; I282-F286 HydrophobicContact CG2-CE2 4.24Å; I282-F286 HydrophobicContact CG2-CZ 3.94Å; I282-F286 PolarHBondContact O-N 2.91Å; L283-F286 HydrophobicContact CD2-CD2 4.07Å; L283-F286 HydrophobicContact CD2-CE2 4.05Å; L283-F286 PolarHBondContact O-N 2.86Å; A284-F286 VanDerWaalsContact C-N 3.26Å; A284-F286 PolarHBondContact O-N 3.46Å; F286-L288 PolarHBondContact O-N 3.48Å; F286-G289 PolarHBondContact O-N 3.42Å; F286-G289 VanDerWaalsContact O-N 3.14Å
287	K	87.3	Confident	87.1	Confident	32 Å²	32	74.1 Å²	74.1	14%	0.139	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-62.1	-23.3	172.6	-172.1	57.2	-177.7	172	0	112.8	A284 A285 G289 D290 V297 C377 Q379	A284-K287 VanDerWaalsContact O-CB 3.23Å; A284-K287 WeakPolarHBondContact O-CB 3.35Å; A284-K287 PolarHBondContact O-N 3.47Å; A285-K287 PolarHBondContact O-N 3.44Å; A285-K287 VanDerWaalsContact O-N 3.08Å; K287-G289 PolarHBondContact O-N 2.97Å; K287-D290 HydrophobicContact CD-CB 4.37Å; K287-D290 IonicContact NZ-OD2 3.41Å; K287-D290 PolarHBondContact NZ-OD2 3.18Å; K287-D290 WeakPolarHBondContact O-CB 3.23Å; K287-D290 PolarHBondContact O-N 3.22Å; K287-V297 HydrophobicContact CG-CG1 3.9Å; K287-C377 HydrophobicContact CB-CB 4.47Å; K287-Q379 HydrophobicContact CB-CG 4.43Å; K287-Q379 HydrophobicContact CD-CG 3.97Å
288	L	85.4	Confident	86.7	Confident	63 Å²	63	77 Å²	77	33%	0.33	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-65.8	-19.1	176.4	-63.9	170	0	0	0	113.5	A285 F286 D290 V297 I298 F301	A285-L288 VanDerWaalsContact O-CB 3.25Å; A285-L288 WeakPolarHBondContact O-CB 3.48Å; A285-L288 WeakPolarHBondContact O-CG 3.39Å; A285-L288 PolarHBondContact O-N 3.26Å; F286-L288 PolarHBondContact O-N 3.48Å; L288-D290 PolarHBondContact O-N 3.14Å; L288-V297 HydrophobicContact CD2-CG1 4.44Å; L288-I298 HydrophobicContact CD2-CB 4.29Å; L288-I298 HydrophobicContact CD2-CG1 3.74Å; L288-F301 HydrophobicContact CD1-CD1 3.72Å; L288-F301 HydrophobicContact CD1-CE1 3.86Å; L288-F301 HydrophobicContact CD1-CG 4.24Å; L288-F301 HydrophobicContact CD2-CB 3.85Å; L288-F301 HydrophobicContact CD2-CD1 4.05Å; L288-F301 HydrophobicContact CD2-CG 3.97Å; L288-F301 HydrophobicContact CG-CD1 4.17Å; L288-F301 HydrophobicContact CG-CG 4.19Å
289	G	80.9	Confident	86.4	Confident	66 Å²	66	75.8 Å²	75.8	68%	0.68	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-74.3	-10.9	175.3	0	0	0	0	0	114	F286 K287 L291	F286-G289 PolarHBondContact O-N 3.42Å; F286-G289 VanDerWaalsContact O-N 3.14Å; K287-G289 PolarHBondContact O-N 2.97Å; G289-L291 PolarHBondContact O-N 3.49Å
290	D	77.8	Confident	86	Confident	62 Å²	62	72.2 Å²	72.2	33%	0.332	37%	0.373	S	S	.	.			trans	-87.7	105.1	-179.3	-169	-4.1	0	0	0	110.6	K287 L288 D292	K287-D290 HydrophobicContact CD-CB 4.37Å; K287-D290 IonicContact NZ-OD2 3.41Å; K287-D290 PolarHBondContact NZ-OD2 3.18Å; K287-D290 WeakPolarHBondContact O-CB 3.23Å; K287-D290 PolarHBondContact O-N 3.22Å; L288-D290 PolarHBondContact O-N 3.14Å; D290-D292 VanDerWaalsContact C-N 3.32Å; D290-D292 PolarHBondContact O-N 3.02Å
291	L	74.8	Confident	85.8	Confident	133 Å²	133	73.2 Å²	73.2	70%	0.696	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-79.1	-11.6	-171.5	-67.7	171.6	0	0	0	113.8	G289 L293	G289-L291 PolarHBondContact O-N 3.49Å; L291-L293 VanDerWaalsContact C-N 3.26Å; L291-L293 PolarHBondContact O-N 3.35Å
292	D	75.7	Confident	85.6	Confident	145 Å²	145	74.1 Å²	74.1	78%	0.775	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-67.7	-24.6	-171.4	-71.3	-14.4	0	0	0	113.2	D290	D290-D292 VanDerWaalsContact C-N 3.32Å; D290-D292 PolarHBondContact O-N 3.02Å
293	L	76.3	Confident	85.4	Confident	109 Å²	109	75.9 Å²	75.9	57%	0.571	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-134.6	27.7	-179.1	-70	170.5	0	0	0	113.5	L291 Y295 F296 V297	L291-L293 VanDerWaalsContact C-N 3.26Å; L291-L293 PolarHBondContact O-N 3.35Å; L293-Y295 PolarHBondContact O-N 2.94Å; L293-F296 PolarHBondContact O-N 3.48Å; L293-V297 HydrophobicContact CB-CG2 3.93Å; L293-V297 WeakPolarHBondContact O-CG2 3.13Å; L293-V297 PolarHBondContact O-N 3.49Å
294	W	79.1	Confident	85.4	Confident	116 Å²	116	78.6 Å²	78.6	44%	0.439	41%	0.408	S	S	.	.	H	α-helix	trans	-52.1	-36.7	-170.5	73.6	-76.4	0	0	0	114.6	F296 V297 I298	W294-F296 VanDerWaalsContact C-N 3.27Å; W294-F296 PolarHBondContact O-N 3.41Å; W294-V297 PolarHBondContact O-N 3.48Å; W294-I298 HydrophobicContact CB-CD1 3.94Å; W294-I298 HydrophobicContact CE3-CD1 3.89Å; W294-I298 WeakPolarHBondContact O-CB 3.46Å; W294-I298 PolarHBondContact O-N 3.47Å
295	Y	82.1	Confident	85.4	Confident	166 Å²	166	78.7 Å²	78.7	65%	0.651	41%	0.409	S	S	*	.	H	α-helix	trans	-60.3	-29.6	178.6	-65.8	-72.7	0	0	0	114.5	L293 P299	L293-Y295 PolarHBondContact O-N 2.94Å; Y295-P299 WeakPolarHBondContact O-CD 3.21Å; Y295-P299 VanDerWaalsContact O-CG 3.25Å; Y295-P299 WeakPolarHBondContact O-CG 3.48Å
296	F	82.9	Confident	85.4	Confident	172 Å²	172	82.5 Å²	82.5	75%	0.754	42%	0.424	S	S	*	.	H	α-helix	trans	-98.2	-38.6	176.7	-72.3	-74.6	0	0	0	111.7	L293 W294 G300	L293-F296 PolarHBondContact O-N 3.48Å; W294-F296 VanDerWaalsContact C-N 3.27Å; W294-F296 PolarHBondContact O-N 3.41Å; F296-G300 PolarHBondContact O-N 2.84Å
297	V	83.9	Confident	85.5	Confident	16 Å²	16	79.4 Å²	79.4	10%	0.097	41%	0.41	C	S	.	.	H	α-helix	trans	-68.3	-44.6	-175.1	174.7	0	0	0	0	111.6	K287 L288 L293 W294 F301	K287-V297 HydrophobicContact CG-CG1 3.9Å; L288-V297 HydrophobicContact CD2-CG1 4.44Å; L293-V297 HydrophobicContact CB-CG2 3.93Å; L293-V297 WeakPolarHBondContact O-CG2 3.13Å; L293-V297 PolarHBondContact O-N 3.49Å; W294-V297 PolarHBondContact O-N 3.48Å; V297-F301 VanDerWaalsContact O-CB 3.23Å; V297-F301 WeakPolarHBondContact O-CB 3.46Å; V297-F301 PolarHBondContact O-N 3.25Å
298	I	86.9	Confident	85.8	Confident	68 Å²	68	78.1 Å²	78.1	35%	0.349	41%	0.405	S	S	.	.	H	α-helix	trans	-67.4	-53	-176.9	-66.6	163.2	0	0	0	111.1	L288 W294 G300 F301 S302	L288-I298 HydrophobicContact CD2-CB 4.29Å; L288-I298 HydrophobicContact CD2-CG1 3.74Å; W294-I298 HydrophobicContact CB-CD1 3.94Å; W294-I298 HydrophobicContact CE3-CD1 3.89Å; W294-I298 WeakPolarHBondContact O-CB 3.46Å; W294-I298 PolarHBondContact O-N 3.47Å; I298-G300 VanDerWaalsContact C-N 3.32Å; I298-G300 PolarHBondContact O-N 3.06Å; I298-F301 PolarHBondContact O-N 3.06Å; I298-S302 WeakPolarHBondContact O-CB 3.45Å; I298-S302 PolarHBondContact O-N 3.06Å; I298-S302 PolarHBondContact O-OG 3.38Å; I298-S302 VanDerWaalsContact O-OG 3.04Å
299	P	89	Confident	86.2	Confident	64 Å²	64	78.8 Å²	78.8	42%	0.416	41%	0.407	S	S	.	.	H	α-helix	trans	-62.3	-39	177.3	-24.3	36.8	0	0	0	112.6	Y295 S302 I303	Y295-P299 WeakPolarHBondContact O-CD 3.21Å; Y295-P299 VanDerWaalsContact O-CG 3.25Å; Y295-P299 WeakPolarHBondContact O-CG 3.48Å; P299-S302 PolarHBondContact O-N 2.97Å; P299-I303 VanDerWaalsContact O-CG1 3.31Å; P299-I303 WeakPolarHBondContact O-CG1 3.26Å; P299-I303 PolarHBondContact O-N 2.83Å
300	G	88	Confident	86.7	Confident	12 Å²	12	77.9 Å²	77.9	12%	0.124	39%	0.386	C	S	.	.	H	α-helix	trans	-59.4	-53.9	175.6	0	0	0	0	0	111.8	F296 I298 S302 I303 F304	F296-G300 PolarHBondContact O-N 2.84Å; I298-G300 VanDerWaalsContact C-N 3.32Å; I298-G300 PolarHBondContact O-N 3.06Å; G300-S302 VanDerWaalsContact C-N 3.34Å; G300-S302 PolarHBondContact O-N 3.08Å; G300-I303 PolarHBondContact O-N 3.3Å; G300-F304 WeakPolarHBondContact O-CB 3.35Å; G300-F304 WeakPolarHBondContact O-CD2 3.3Å; G300-F304 PolarHBondContact O-N 2.88Å
301	F	91.1	Very high	87.4	Confident	21 Å²	21	75.1 Å²	75.1	9%	0.092	37%	0.372	C	S	.	.	H	α-helix	trans	-60.4	-41.5	176.6	-178.2	-87.5	0	0	0	112	F281 A284 A285 L288 V297 I298 G305 L373 C377	F281-F301 HydrophobicContact CE1-CZ 4.39Å; F281-F301 HydrophobicContact CE2-CZ 4.04Å; F281-F301 HydrophobicContact CZ-CE1 4.33Å; F281-F301 AromaticContact CZ-CZ 3.84Å; F281-F301 HydrophobicContact CZ-CZ 3.84Å; A284-F301 HydrophobicContact CB-CE2 4.14Å; A285-F301 VanDerWaalsContact CA-CE2 3.5Å; A285-F301 HydrophobicContact CB-CE1 4.36Å; A285-F301 HydrophobicContact CB-CE2 4.02Å; A285-F301 HydrophobicContact CB-CZ 3.59Å; L288-F301 HydrophobicContact CD1-CD1 3.72Å; L288-F301 HydrophobicContact CD1-CE1 3.86Å; L288-F301 HydrophobicContact CD1-CG 4.24Å; L288-F301 HydrophobicContact CD2-CB 3.85Å; L288-F301 HydrophobicContact CD2-CD1 4.05Å; L288-F301 HydrophobicContact CD2-CG 3.97Å; L288-F301 HydrophobicContact CG-CD1 4.17Å; L288-F301 HydrophobicContact CG-CG 4.19Å; V297-F301 VanDerWaalsContact O-CB 3.23Å; V297-F301 WeakPolarHBondContact O-CB 3.46Å; V297-F301 PolarHBondContact O-N 3.25Å; I298-F301 PolarHBondContact O-N 3.06Å; F301-G305 WeakPolarHBondContact O-CA 3.49Å; F301-G305 PolarHBondContact O-N 3.4Å; F301-L373 HydrophobicContact CD2-CD1 4.29Å; F301-L373 HydrophobicContact CE2-CD1 4.4Å; F301-C377 VanDerWaalsContact CD2-SG 3.54Å
302	S	91.1	Very high	88.3	Confident	54 Å²	54	69.3 Å²	69.3	38%	0.378	34%	0.341	S	S	.	.	H	α-helix	trans	-61.9	-48.6	178.7	-65.4	0	0	0	0	111.7	I298 P299 G300 I306	I298-S302 WeakPolarHBondContact O-CB 3.45Å; I298-S302 PolarHBondContact O-N 3.06Å; I298-S302 PolarHBondContact O-OG 3.38Å; I298-S302 VanDerWaalsContact O-OG 3.04Å; P299-S302 PolarHBondContact O-N 2.97Å; G300-S302 VanDerWaalsContact C-N 3.34Å; G300-S302 PolarHBondContact O-N 3.08Å; S302-I306 VanDerWaalsContact O-CB 3.31Å; S302-I306 WeakPolarHBondContact O-CB 3.41Å; S302-I306 VanDerWaalsContact O-CD1 3.32Å; S302-I306 WeakPolarHBondContact O-CD1 3.27Å; S302-I306 WeakPolarHBondContact O-CG1 3.24Å; S302-I306 PolarHBondContact O-N 3.26Å; S302-I306 VanDerWaalsContact O-N 3.09Å
303	I	91.9	Very high	89	Confident	116 Å²	116	65.6 Å²	65.6	60%	0.595	32%	0.323	S	S	*	.	H	α-helix	trans	-68	-54.5	-178.7	-65.1	167.3	0	0	0	110.6	P299 G300 F307	P299-I303 VanDerWaalsContact O-CG1 3.31Å; P299-I303 WeakPolarHBondContact O-CG1 3.26Å; P299-I303 PolarHBondContact O-N 2.83Å; G300-I303 PolarHBondContact O-N 3.3Å; I303-F307 WeakPolarHBondContact O-CB 3.37Å; I303-F307 PolarHBondContact O-N 3.25Å
304	F	93.3	Very high	89.7	Confident	78 Å²	78	60.7 Å²	60.7	34%	0.342	30%	0.297	S	S	.	.	H	α-helix	trans	-72.7	-31.4	-176	-65.3	-62.3	0	0	0	112.6	G300 W308 V372 L373 V376	G300-F304 WeakPolarHBondContact O-CB 3.35Å; G300-F304 WeakPolarHBondContact O-CD2 3.3Å; G300-F304 PolarHBondContact O-N 2.88Å; F304-W308 WeakPolarHBondContact O-CB 3.19Å; F304-W308 PolarHBondContact O-N 3.28Å; F304-V372 HydrophobicContact CD1-CG1 3.42Å; F304-V372 VanDerWaalsContact CD1-CG1 3.42Å; F304-V372 HydrophobicContact CD2-CG1 4.36Å; F304-V372 HydrophobicContact CE1-CG1 3.55Å; F304-V372 HydrophobicContact CE2-CG1 4.47Å; F304-V372 HydrophobicContact CG-CG1 3.87Å; F304-V372 HydrophobicContact CZ-CG1 4.09Å; F304-L373 HydrophobicContact CB-CD1 4.27Å; F304-V376 HydrophobicContact CD2-CB 4.35Å; F304-V376 HydrophobicContact CD2-CG1 4.19Å; F304-V376 HydrophobicContact CD2-CG2 3.69Å; F304-V376 HydrophobicContact CE2-CG2 3.81Å; F304-V376 HydrophobicContact CG-CG2 4.48Å
305	G	93.6	Very high	90.3	Very high	2 Å²	2	55.2 Å²	55.2	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-70.3	-42.5	175.9	0	0	0	0	0	112.6	F301 W308 M309	F301-G305 WeakPolarHBondContact O-CA 3.49Å; F301-G305 PolarHBondContact O-N 3.4Å; G305-W308 PolarHBondContact O-N 2.86Å; G305-M309 WeakPolarHBondContact O-CB 3.39Å; G305-M309 VanDerWaalsContact O-CG 3.3Å; G305-M309 WeakPolarHBondContact O-CG 3.42Å; G305-M309 PolarHBondContact O-N 2.76Å
306	I	92.2	Very high	90.8	Very high	107 Å²	107	50.6 Å²	50.6	55%	0.549	26%	0.26	S	S	.	.	H	α-helix	trans	-62.9	-45.8	172.4	-69.5	168	0	0	0	110	S302 W308 M309 I310	S302-I306 VanDerWaalsContact O-CB 3.31Å; S302-I306 WeakPolarHBondContact O-CB 3.41Å; S302-I306 VanDerWaalsContact O-CD1 3.32Å; S302-I306 WeakPolarHBondContact O-CD1 3.27Å; S302-I306 WeakPolarHBondContact O-CG1 3.24Å; S302-I306 PolarHBondContact O-N 3.26Å; S302-I306 VanDerWaalsContact O-N 3.09Å; I306-W308 VanDerWaalsContact C-N 3.33Å; I306-W308 PolarHBondContact O-N 3.44Å; I306-M309 PolarHBondContact O-N 3.16Å; I306-I310 HydrophobicContact CG2-CD1 3.93Å; I306-I310 VanDerWaalsContact O-CG1 3.31Å; I306-I310 WeakPolarHBondContact O-CG1 3.24Å; I306-I310 PolarHBondContact O-N 3.02Å
307	F	91.5	Very high	91.2	Very high	65 Å²	65	45.1 Å²	45.1	29%	0.285	24%	0.238	S	C	.	.	H	α-helix	trans	-59.3	-44.5	176.6	-179.8	-102.8	0	0	0	112.1	I303 I310 C311 A369 L653	I303-F307 WeakPolarHBondContact O-CB 3.37Å; I303-F307 PolarHBondContact O-N 3.25Å; F307-I310 PolarHBondContact O-N 2.99Å; F307-C311 PolarHBondContact O-N 3.48Å; F307-C311 PolarHBondContact O-SG 3.34Å; F307-A369 HydrophobicContact CD1-CB 3.88Å; F307-A369 HydrophobicContact CE1-CB 3.76Å; F307-L653 HydrophobicContact CD2-CD2 4.25Å; F307-L653 HydrophobicContact CE2-CD2 3.52Å; F307-L653 HydrophobicContact CZ-CD2 4.37Å
308	W	95.1	Very high	91.6	Very high	6 Å²	6	44.4 Å²	44.4	2%	0.023	23%	0.234	C	C	.	.	H	α-helix	trans	-59.1	-48.1	175.8	-177.4	95.4	0	0	0	111.5	E277 F280 F281 F304 G305 I306 I310 C311 H312 A369 T370 L373	E277-W308 HydrophobicContact CB-CH2 4.02Å; E277-W308 HydrophobicContact CB-CZ2 4.1Å; E277-W308 WeakPolarHBondContact O-CH2 3.41Å; F280-W308 HydrophobicContact CD1-CZ2 4.21Å; F281-W308 HydrophobicContact CB-CE3 4.23Å; F281-W308 HydrophobicContact CB-CH2 3.76Å; F281-W308 HydrophobicContact CB-CZ2 4.44Å; F281-W308 HydrophobicContact CB-CZ3 3.62Å; F281-W308 AromaticContact CD2-CD2 3.93Å; F281-W308 HydrophobicContact CD2-CD2 3.93Å; F281-W308 AromaticContact CD2-CE3 3.28Å; F281-W308 HydrophobicContact CD2-CE3 3.28Å; F281-W308 HydrophobicContact CD2-CH2 4.37Å; F281-W308 AromaticContact CD2-CZ3 3.55Å; F281-W308 HydrophobicContact CD2-CZ3 3.55Å; F281-W308 AromaticContact CE2-CE3 3.84Å; F281-W308 HydrophobicContact CE2-CE3 3.84Å; F281-W308 HydrophobicContact CE2-CZ3 4.39Å; F281-W308 AromaticContact CG-CE3 3.94Å; F281-W308 HydrophobicContact CG-CE3 3.94Å; F281-W308 HydrophobicContact CG-CH2 4.34Å; F281-W308 AromaticContact CG-CZ3 3.69Å; F281-W308 HydrophobicContact CG-CZ3 3.69Å; F304-W308 WeakPolarHBondContact O-CB 3.19Å; F304-W308 PolarHBondContact O-N 3.28Å; G305-W308 PolarHBondContact O-N 2.86Å; I306-W308 VanDerWaalsContact C-N 3.33Å; I306-W308 PolarHBondContact O-N 3.44Å; W308-I310 VanDerWaalsContact C-N 3.33Å; W308-I310 PolarHBondContact O-N 3.44Å; W308-C311 PolarHBondContact O-N 3.4Å; W308-H312 AromaticContact CD1-CE1 3.36Å; W308-H312 AromaticContact CD1-ND1 3.57Å; W308-H312 AromaticContact CD2-CE1 3.89Å; W308-H312 AromaticContact CD2-CG 3.97Å; W308-H312 AromaticContact CD2-ND1 3.44Å; W308-H312 AromaticContact CE2-CD2 3.87Å; W308-H312 AromaticContact CE2-CE1 3.29Å; W308-H312 AromaticContact CE2-CG 3.63Å; W308-H312 AromaticContact CE2-ND1 3.25Å; W308-H312 AromaticContact CE2-NE2 3.66Å; W308-H312 HydrophobicContact CE3-CB 4.44Å; W308-H312 AromaticContact CG-CE1 3.91Å; W308-H312 AromaticContact CG-ND1 3.63Å; W308-H312 HydrophobicContact CH2-CB 4.19Å; W308-H312 AromaticContact CH2-CG 3.9Å; W308-H312 HydrophobicContact CZ2-CB 4.36Å; W308-H312 AromaticContact CZ2-CD2 3.58Å; W308-H312 AromaticContact CZ2-CE1 3.81Å; W308-H312 AromaticContact CZ2-CG 3.59Å; W308-H312 AromaticContact CZ2-ND1 3.74Å; W308-H312 AromaticContact CZ2-NE2 3.7Å; W308-H312 HydrophobicContact CZ3-CB 4.24Å; W308-H312 AromaticContact NE1-CE1 2.94Å; W308-H312 PolarHBondContact NE1-CE1 2.73Å; W308-H312 AromaticContact NE1-ND1 3.35Å; W308-H312 PolarHBondContact NE1-ND1 2.8Å; W308-H312 AromaticContact NE1-NE2 3.5Å; W308-H312 PolarHBondContact NE1-NE2 2.72Å; W308-H312 WeakPolarHBondContact O-CB 3.36Å; W308-H312 PolarHBondContact O-N 3.1Å; W308-H312 PolarHBondContact O-ND1 3.29Å; W308-A369 HydrophobicContact CB-CB 4.46Å; W308-T370 PolarHBondContact NE1-OG1 3.3Å; W308-L373 HydrophobicContact CB-CD2 3.92Å; W308-L373 HydrophobicContact CD2-CD2 3.91Å; W308-L373 HydrophobicContact CG-CB 4.49Å; W308-L373 HydrophobicContact CG-CD2 3.53Å
309	M	93.3	Very high	91.8	Very high	76 Å²	76	41.5 Å²	41.5	37%	0.374	22%	0.219	S	C	.	.	H	α-helix	trans	-58.5	-44.4	178.1	-75.9	-63.8	-64	0	0	111.7	F281 G305 I306 H312 V313	F281-M309 HydrophobicContact CD1-SD 4.16Å; F281-M309 HydrophobicContact CD2-SD 4.33Å; F281-M309 HydrophobicContact CE1-CG 4.36Å; F281-M309 HydrophobicContact CE1-SD 4.03Å; F281-M309 HydrophobicContact CE2-CG 3.95Å; F281-M309 HydrophobicContact CE2-SD 4.2Å; F281-M309 HydrophobicContact CG-SD 4.31Å; F281-M309 HydrophobicContact CZ-CG 3.83Å; F281-M309 HydrophobicContact CZ-SD 4.05Å; G305-M309 WeakPolarHBondContact O-CB 3.39Å; G305-M309 VanDerWaalsContact O-CG 3.3Å; G305-M309 WeakPolarHBondContact O-CG 3.42Å; G305-M309 PolarHBondContact O-N 2.76Å; I306-M309 PolarHBondContact O-N 3.16Å; M309-H312 PolarHBondContact O-N 3.36Å; M309-V313 VanDerWaalsContact O-CG2 3.27Å; M309-V313 WeakPolarHBondContact O-CG2 3.48Å; M309-V313 PolarHBondContact O-N 3.32Å
310	I	91.5	Very high	91.9	Very high	47 Å²	47	42.7 Å²	42.7	24%	0.241	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-47.1	178	-64.5	168.6	0	0	0	110.3	I306 F307 W308 H312 V313 I314 T650 L653	I306-I310 HydrophobicContact CG2-CD1 3.93Å; I306-I310 VanDerWaalsContact O-CG1 3.31Å; I306-I310 WeakPolarHBondContact O-CG1 3.24Å; I306-I310 PolarHBondContact O-N 3.02Å; F307-I310 PolarHBondContact O-N 2.99Å; W308-I310 VanDerWaalsContact C-N 3.33Å; W308-I310 PolarHBondContact O-N 3.44Å; I310-H312 VanDerWaalsContact C-N 3.34Å; I310-H312 PolarHBondContact O-N 3.02Å; I310-V313 PolarHBondContact O-N 3.3Å; I310-I314 HydrophobicContact CG2-CD1 4.18Å; I310-I314 WeakPolarHBondContact O-CD1 3.25Å; I310-I314 WeakPolarHBondContact O-CG1 3.25Å; I310-I314 PolarHBondContact O-N 2.88Å; I310-T650 HydrophobicContact CG2-CG2 3.98Å; I310-L653 HydrophobicContact CG2-CD1 3.46Å; I310-L653 VanDerWaalsContact CG2-CD1 3.46Å
311	C	91.7	Very high	92	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.034	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-39.3	178.8	-64.9	0	0	0	0	112.3	F307 W308 I314 F315 A369	F307-C311 PolarHBondContact O-N 3.48Å; F307-C311 PolarHBondContact O-SG 3.34Å; W308-C311 PolarHBondContact O-N 3.4Å; C311-I314 WeakPolarHBondContact O-CB 3.44Å; C311-I314 PolarHBondContact O-N 2.91Å; C311-F315 WeakPolarHBondContact O-CB 3.21Å; C311-F315 PolarHBondContact O-N 3.15Å; C311-A369 HydrophobicContact CB-CB 4.26Å
312	H	93.4	Very high	92	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.046	22%	0.217	C	C	.	.	H	α-helix	trans	-78.2	-28.4	-177.4	-74.8	73.7	0	0	0	113.4	E277 W308 M309 I310 I314 F315 F316 S366 T370 E396	E277-H312 IonicContact OE1-CD2 2.72Å; E277-H312 IonicContact OE2-CD2 3.91Å; E277-H312 PolarHBondContact OE2-CD2 3.35Å; W308-H312 AromaticContact CD1-CE1 3.36Å; W308-H312 AromaticContact CD1-ND1 3.57Å; W308-H312 AromaticContact CD2-CE1 3.89Å; W308-H312 AromaticContact CD2-CG 3.97Å; W308-H312 AromaticContact CD2-ND1 3.44Å; W308-H312 AromaticContact CE2-CD2 3.87Å; W308-H312 AromaticContact CE2-CE1 3.29Å; W308-H312 AromaticContact CE2-CG 3.63Å; W308-H312 AromaticContact CE2-ND1 3.25Å; W308-H312 AromaticContact CE2-NE2 3.66Å; W308-H312 HydrophobicContact CE3-CB 4.44Å; W308-H312 AromaticContact CG-CE1 3.91Å; W308-H312 AromaticContact CG-ND1 3.63Å; W308-H312 HydrophobicContact CH2-CB 4.19Å; W308-H312 AromaticContact CH2-CG 3.9Å; W308-H312 HydrophobicContact CZ2-CB 4.36Å; W308-H312 AromaticContact CZ2-CD2 3.58Å; W308-H312 AromaticContact CZ2-CE1 3.81Å; W308-H312 AromaticContact CZ2-CG 3.59Å; W308-H312 AromaticContact CZ2-ND1 3.74Å; W308-H312 AromaticContact CZ2-NE2 3.7Å; W308-H312 HydrophobicContact CZ3-CB 4.24Å; W308-H312 AromaticContact NE1-CE1 2.94Å; W308-H312 PolarHBondContact NE1-CE1 2.73Å; W308-H312 AromaticContact NE1-ND1 3.35Å; W308-H312 PolarHBondContact NE1-ND1 2.8Å; W308-H312 AromaticContact NE1-NE2 3.5Å; W308-H312 PolarHBondContact NE1-NE2 2.72Å; W308-H312 WeakPolarHBondContact O-CB 3.36Å; W308-H312 PolarHBondContact O-N 3.1Å; W308-H312 PolarHBondContact O-ND1 3.29Å; M309-H312 PolarHBondContact O-N 3.36Å; I310-H312 VanDerWaalsContact C-N 3.34Å; I310-H312 PolarHBondContact O-N 3.02Å; H312-I314 VanDerWaalsContact C-N 3.33Å; H312-F315 PolarHBondContact O-N 2.91Å; H312-F316 WeakPolarHBondContact O-CB 3.01Å; H312-F316 PolarHBondContact O-N 3.31Å; H312-S366 PolarHBondContact CE1-O 3.2Å; H312-T370 PolarHBondContact CE1-OG1 2.84Å; H312-T370 PolarHBondContact NE2-OG1 2.98Å; H312-T370 VanDerWaalsContact NE2-OG1 3.16Å; H312-E396 IonicContact CE1-OE1 3.8Å; H312-E396 IonicContact NE2-OE1 2.77Å; H312-E396 PolarHBondContact NE2-OE1 3.41Å; H312-E396 VanDerWaalsContact NE2-OE1 3.17Å; H312-E396 IonicContact NE2-OE2 3.64Å
313	V	91.9	Very high	91.9	Very high	68 Å²	68	39.9 Å²	39.9	41%	0.412	20%	0.2	S	C	.	.	H	α-helix	trans	-62.4	-43.5	167	169.2	0	0	0	0	110.4	M309 I310 F316 I317	M309-V313 VanDerWaalsContact O-CG2 3.27Å; M309-V313 WeakPolarHBondContact O-CG2 3.48Å; M309-V313 PolarHBondContact O-N 3.32Å; I310-V313 PolarHBondContact O-N 3.3Å; V313-F316 PolarHBondContact O-N 3.33Å; V313-I317 HydrophobicContact CG1-CD1 3.9Å; V313-I317 VanDerWaalsContact O-CG1 3.27Å; V313-I317 WeakPolarHBondContact O-CG1 3.01Å; V313-I317 PolarHBondContact O-N 3.46Å
314	I	90.6	Very high	91.7	Very high	5 Å²	5	37 Å²	37	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-48.7	175	-65.7	160.2	0	0	0	110	I310 C311 H312 F316 I317 T318 L362 W642 F646 T650 L653	I310-I314 HydrophobicContact CG2-CD1 4.18Å; I310-I314 WeakPolarHBondContact O-CD1 3.25Å; I310-I314 WeakPolarHBondContact O-CG1 3.25Å; I310-I314 PolarHBondContact O-N 2.88Å; C311-I314 WeakPolarHBondContact O-CB 3.44Å; C311-I314 PolarHBondContact O-N 2.91Å; H312-I314 VanDerWaalsContact C-N 3.33Å; I314-F316 VanDerWaalsContact C-N 3.33Å; I314-F316 PolarHBondContact O-N 3.15Å; I314-I317 PolarHBondContact O-N 3.06Å; I314-I317 VanDerWaalsContact O-N 3.16Å; I314-T318 HydrophobicContact CG2-CG2 4.22Å; I314-T318 VanDerWaalsContact O-CG2 3.31Å; I314-T318 WeakPolarHBondContact O-CG2 3.39Å; I314-T318 PolarHBondContact O-N 2.92Å; I314-T318 PolarHBondContact O-OG1 3.29Å; I314-L362 HydrophobicContact CG2-CB 4.2Å; I314-L362 HydrophobicContact CG2-CD1 4.17Å; I314-L362 HydrophobicContact CG2-CD2 4.46Å; I314-W642 HydrophobicContact CD1-CH2 4.31Å; I314-W642 HydrophobicContact CD1-CZ2 3.62Å; I314-F646 HydrophobicContact CB-CD1 4.41Å; I314-F646 HydrophobicContact CB-CE1 4.25Å; I314-F646 HydrophobicContact CG1-CD1 4.19Å; I314-F646 HydrophobicContact CG2-CD1 4.14Å; I314-F646 HydrophobicContact CG2-CE1 3.65Å; I314-F646 HydrophobicContact CG2-CE2 4.47Å; I314-F646 HydrophobicContact CG2-CZ 3.87Å; I314-T650 HydrophobicContact CD1-CG2 3.89Å; I314-T650 HydrophobicContact CG1-CG2 3.88Å; I314-L653 HydrophobicContact CD1-CD1 3.63Å
315	F	91.8	Very high	91.5	Very high	2 Å²	2	35 Å²	35	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-52.7	-49.4	176.8	175.3	-110.1	0	0	0	111.9	V273 E277 C311 H312 I317 T318 L319 V363 A399	V273-F315 HydrophobicContact CG1-CE1 3.8Å; V273-F315 HydrophobicContact CG1-CZ 4.45Å; E277-F315 WeakPolarHBondContact OE1-CE1 3.3Å; C311-F315 WeakPolarHBondContact O-CB 3.21Å; C311-F315 PolarHBondContact O-N 3.15Å; H312-F315 PolarHBondContact O-N 2.91Å; F315-I317 PolarHBondContact O-N 3.22Å; F315-T318 WeakPolarHBondContact CA-OG1 3.31Å; F315-T318 PolarHBondContact O-N 3.16Å; F315-T318 PolarHBondContact O-OG1 3.09Å; F315-L319 HydrophobicContact CD1-CD1 4.14Å; F315-L319 HydrophobicContact CE1-CD1 3.45Å; F315-L319 VanDerWaalsContact CE1-CD1 3.45Å; F315-L319 HydrophobicContact CE1-CG 4.39Å; F315-L319 HydrophobicContact CE2-CD1 3.91Å; F315-L319 HydrophobicContact CE2-CG 4.1Å; F315-L319 HydrophobicContact CZ-CD1 3.35Å; F315-L319 HydrophobicContact CZ-CG 4.05Å; F315-L319 PolarHBondContact O-N 3Å; F315-V363 HydrophobicContact CD2-CB 4.18Å; F315-V363 HydrophobicContact CD2-CG1 3.76Å; F315-V363 HydrophobicContact CD2-CG2 3.7Å; F315-V363 HydrophobicContact CE2-CB 4.33Å; F315-V363 HydrophobicContact CE2-CG1 3.52Å; F315-V363 HydrophobicContact CE2-CG2 3.95Å; F315-A399 HydrophobicContact CE2-CB 3.57Å; F315-A399 HydrophobicContact CZ-CB 3.7Å
316	F	92.8	Very high	91.4	Very high	69 Å²	69	34.9 Å²	34.9	30%	0.303	18%	0.178	S	C	.	.	H	α-helix	trans	-62.6	-43.4	178.4	-168.3	-90.1	0	0	0	112.5	V270 H312 V313 I314 T318 L319 W320	V270-F316 HydrophobicContact CG1-CD2 3.85Å; V270-F316 HydrophobicContact CG1-CE1 4.46Å; V270-F316 HydrophobicContact CG1-CE2 3.46Å; V270-F316 VanDerWaalsContact CG1-CE2 3.46Å; V270-F316 HydrophobicContact CG1-CZ 3.8Å; H312-F316 WeakPolarHBondContact O-CB 3.01Å; H312-F316 PolarHBondContact O-N 3.31Å; V313-F316 PolarHBondContact O-N 3.33Å; I314-F316 VanDerWaalsContact C-N 3.33Å; I314-F316 PolarHBondContact O-N 3.15Å; F316-T318 VanDerWaalsContact C-N 3.32Å; F316-T318 PolarHBondContact O-N 3.06Å; F316-L319 PolarHBondContact O-N 3.4Å; F316-W320 HydrophobicContact CE1-CE3 4.29Å; F316-W320 HydrophobicContact CZ-CE3 4.37Å; F316-W320 VanDerWaalsContact O-CB 3.29Å; F316-W320 WeakPolarHBondContact O-CB 3.17Å; F316-W320 PolarHBondContact O-N 3.28Å
317	I	90.9	Very high	91.2	Very high	56 Å²	56	31 Å²	31	29%	0.287	16%	0.158	S	C	.	.	H	α-helix	trans	-61.3	-41.5	175.3	-68.4	166.7	0	0	0	110.5	V313 I314 F315 W320 G321 F646	V313-I317 HydrophobicContact CG1-CD1 3.9Å; V313-I317 VanDerWaalsContact O-CG1 3.27Å; V313-I317 WeakPolarHBondContact O-CG1 3.01Å; V313-I317 PolarHBondContact O-N 3.46Å; I314-I317 PolarHBondContact O-N 3.06Å; I314-I317 VanDerWaalsContact O-N 3.16Å; F315-I317 PolarHBondContact O-N 3.22Å; I317-W320 PolarHBondContact O-N 3.27Å; I317-G321 PolarHBondContact O-N 3.42Å; I317-F646 HydrophobicContact CB-CD1 4.12Å; I317-F646 HydrophobicContact CB-CE1 3.8Å; I317-F646 HydrophobicContact CD1-CD1 4.06Å; I317-F646 HydrophobicContact CG2-CD1 3.77Å; I317-F646 HydrophobicContact CG2-CE1 3.49Å; I317-F646 VanDerWaalsContact CG2-CE1 3.49Å; I317-F646 HydrophobicContact CG2-CZ 4.48Å
318	T	91.1	Very high	91	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.012	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-47	178.2	61.2	0	0	0	0	112.2	I314 F315 F316 W320 G321 F322 L362 F646	I314-T318 HydrophobicContact CG2-CG2 4.22Å; I314-T318 VanDerWaalsContact O-CG2 3.31Å; I314-T318 WeakPolarHBondContact O-CG2 3.39Å; I314-T318 PolarHBondContact O-N 2.92Å; I314-T318 PolarHBondContact O-OG1 3.29Å; F315-T318 WeakPolarHBondContact CA-OG1 3.31Å; F315-T318 PolarHBondContact O-N 3.16Å; F315-T318 PolarHBondContact O-OG1 3.09Å; F316-T318 VanDerWaalsContact C-N 3.32Å; F316-T318 PolarHBondContact O-N 3.06Å; T318-W320 VanDerWaalsContact C-N 3.33Å; T318-W320 PolarHBondContact O-N 3.46Å; T318-G321 PolarHBondContact O-N 2.91Å; T318-F322 WeakPolarHBondContact O-CB 3.12Å; T318-F322 PolarHBondContact O-N 3.39Å; T318-L362 HydrophobicContact CG2-CB 4.29Å; T318-L362 HydrophobicContact CG2-CD1 3.57Å; T318-F646 HydrophobicContact CG2-CE1 3.99Å; T318-F646 HydrophobicContact CG2-CZ 3.6Å
319	L	91.8	Very high	90.6	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-61.8	-41.6	175.9	-76.3	-179.4	0	0	0	111.8	V270 V273 F315 F316 F322 H323 A399 F403	V270-L319 HydrophobicContact CG1-CB 4.25Å; V270-L319 HydrophobicContact CG2-CB 4.4Å; V273-L319 HydrophobicContact CG1-CD1 4.45Å; F315-L319 HydrophobicContact CD1-CD1 4.14Å; F315-L319 HydrophobicContact CE1-CD1 3.45Å; F315-L319 VanDerWaalsContact CE1-CD1 3.45Å; F315-L319 HydrophobicContact CE1-CG 4.39Å; F315-L319 HydrophobicContact CE2-CD1 3.91Å; F315-L319 HydrophobicContact CE2-CG 4.1Å; F315-L319 HydrophobicContact CZ-CD1 3.35Å; F315-L319 HydrophobicContact CZ-CG 4.05Å; F315-L319 PolarHBondContact O-N 3Å; F316-L319 PolarHBondContact O-N 3.4Å; L319-F322 WeakPolarHBondContact O-CB 3.42Å; L319-F322 PolarHBondContact O-N 2.97Å; L319-H323 PolarHBondContact O-CD2 3Å; L319-H323 PolarHBondContact O-N 3.04Å; L319-A399 HydrophobicContact CD2-CB 4.24Å; L319-F403 HydrophobicContact CD2-CE2 4Å; L319-F403 HydrophobicContact CD2-CZ 4.05Å
320	W	91.6	Very high	90.4	Very high	89 Å²	89	28.7 Å²	28.7	34%	0.337	15%	0.15	S	C	.	.	H	α-helix	trans	-65.7	-42.6	177.5	-167.3	-91.9	0	0	0	112.3	R267 V270 F316 I317 T318 H323 T324	R267-W320 HydrophobicContact CB-CH2 4.39Å; R267-W320 HydrophobicContact CB-CZ3 4.32Å; R267-W320 HydrophobicContact CG-CH2 3.97Å; R267-W320 HydrophobicContact CG-CZ3 4.12Å; V270-W320 HydrophobicContact CG1-CE3 4.19Å; F316-W320 HydrophobicContact CE1-CE3 4.29Å; F316-W320 HydrophobicContact CZ-CE3 4.37Å; F316-W320 VanDerWaalsContact O-CB 3.29Å; F316-W320 WeakPolarHBondContact O-CB 3.17Å; F316-W320 PolarHBondContact O-N 3.28Å; I317-W320 PolarHBondContact O-N 3.27Å; T318-W320 VanDerWaalsContact C-N 3.33Å; T318-W320 PolarHBondContact O-N 3.46Å; W320-H323 PolarHBondContact O-N 2.86Å; W320-T324 PolarHBondContact O-N 2.65Å; W320-T324 PolarHBondContact O-OG1 3.39Å
321	G	89.2	Confident	90.1	Very high	24 Å²	24	33.8 Å²	33.8	25%	0.247	17%	0.171	C	C	.	.	H	α-helix	trans	-61.7	-45.9	174.7	0	0	0	0	0	112.2	I317 T318 H323 T324 K325	I317-G321 PolarHBondContact O-N 3.42Å; T318-G321 PolarHBondContact O-N 2.91Å; G321-H323 PolarHBondContact O-N 3.37Å; G321-T324 PolarHBondContact O-N 3.34Å; G321-T324 VanDerWaalsContact O-N 3.14Å; G321-K325 PolarHBondContact O-N 3.06Å
322	F	91	Very high	89.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-53.7	-51.2	174.1	176.1	-102.3	0	0	0	111.3	Y258 L259 T318 L319 T324 K325 L326 M352 F355 L402 F403 L406	Y258-F322 HydrophobicContact CE1-CE1 4.47Å; L259-F322 HydrophobicContact CD2-CZ 4.22Å; T318-F322 WeakPolarHBondContact O-CB 3.12Å; T318-F322 PolarHBondContact O-N 3.39Å; L319-F322 WeakPolarHBondContact O-CB 3.42Å; L319-F322 PolarHBondContact O-N 2.97Å; F322-T324 VanDerWaalsContact C-N 3.29Å; F322-T324 PolarHBondContact O-N 3.3Å; F322-K325 PolarHBondContact O-N 3.39Å; F322-L326 HydrophobicContact CE1-CD2 4.06Å; F322-L326 WeakPolarHBondContact O-CB 3.42Å; F322-L326 PolarHBondContact O-N 3.26Å; F322-M352 HydrophobicContact CD2-CE 3.2Å; F322-M352 HydrophobicContact CD2-SD 3.76Å; F322-M352 HydrophobicContact CE1-CE 4.39Å; F322-M352 HydrophobicContact CE2-CE 3.09Å; F322-M352 HydrophobicContact CE2-CG 4.44Å; F322-M352 HydrophobicContact CE2-SD 3.87Å; F322-M352 HydrophobicContact CG-CE 3.97Å; F322-M352 HydrophobicContact CZ-CE 3.73Å; F322-F355 HydrophobicContact CB-CE1 3.7Å; F322-F355 HydrophobicContact CB-CZ 4.33Å; F322-F355 HydrophobicContact CD2-CD1 4.3Å; F322-F355 HydrophobicContact CD2-CE1 4.21Å; F322-F355 HydrophobicContact CG-CE1 4.48Å; F322-L402 HydrophobicContact CD1-CD2 4.49Å; F322-L402 HydrophobicContact CE1-CD2 3.8Å; F322-L402 HydrophobicContact CZ-CD1 4.5Å; F322-L402 HydrophobicContact CZ-CD2 3.91Å; F322-L402 HydrophobicContact CZ-CG 4.28Å; F322-F403 HydrophobicContact CB-CE1 3.87Å; F322-F403 HydrophobicContact CB-CZ 4.01Å; F322-F403 HydrophobicContact CD2-CD1 4.19Å; F322-F403 AromaticContact CD2-CE1 3.45Å; F322-F403 HydrophobicContact CD2-CE1 3.45Å; F322-F403 VanDerWaalsContact CD2-CE1 3.45Å; F322-F403 HydrophobicContact CD2-CZ 4.32Å; F322-F403 HydrophobicContact CE2-CD1 4.47Å; F322-F403 HydrophobicContact CE2-CE1 4.09Å; F322-F403 AromaticContact CG-CE1 3.74Å; F322-F403 HydrophobicContact CG-CE1 3.74Å; F322-F403 HydrophobicContact CG-CZ 4.17Å; F322-L406 HydrophobicContact CE2-CD1 3.88Å; F322-L406 HydrophobicContact CZ-CD1 3.75Å
323	H	90.1	Very high	89.3	Confident	4 Å²	4	37 Å²	37	2%	0.019	19%	0.186	C	C	.	.	H	α-helix	trans	-67	-30.8	-179.7	-78.6	-53.3	0	0	0	113.7	Y258 V270 L319 W320 G321 N327	Y258-H323 AromaticContact CE1-CE1 3.73Å; Y258-H323 AromaticContact CZ-CE1 3.55Å; Y258-H323 AromaticContact CZ-NE2 3.77Å; Y258-H323 PolarHBondContact OH-CE1 2.84Å; Y258-H323 PolarHBondContact OH-NE2 3.08Å; V270-H323 WeakPolarHBondContact CG2-CD2 3.32Å; V270-H323 WeakPolarHBondContact CG2-NE2 3.25Å; L319-H323 PolarHBondContact O-CD2 3Å; L319-H323 PolarHBondContact O-N 3.04Å; W320-H323 PolarHBondContact O-N 2.86Å; G321-H323 PolarHBondContact O-N 3.37Å; H323-N327 WeakPolarHBondContact O-CB 3.23Å; H323-N327 PolarHBondContact O-N 2.79Å; H323-N327 PolarHBondContact O-ND2 3.43Å
324	T	88.5	Confident	88.8	Confident	55 Å²	55	39.9 Å²	39.9	34%	0.337	19%	0.19	S	C	.	.	H	α-helix	trans	-65.9	-50.3	174.5	-57.9	0	0	0	0	109.9	W320 G321 F322 L326 N327 D328	W320-T324 PolarHBondContact O-N 2.65Å; W320-T324 PolarHBondContact O-OG1 3.39Å; G321-T324 PolarHBondContact O-N 3.34Å; G321-T324 VanDerWaalsContact O-N 3.14Å; F322-T324 VanDerWaalsContact C-N 3.29Å; F322-T324 PolarHBondContact O-N 3.3Å; T324-L326 VanDerWaalsContact C-N 3.31Å; T324-L326 PolarHBondContact O-N 3.05Å; T324-N327 WeakPolarHBondContact O-CB 3.33Å; T324-N327 PolarHBondContact O-N 2.69Å; T324-N327 VanDerWaalsContact O-N 3.12Å; T324-D328 PolarHBondContact O-N 3.4Å; T324-D328 VanDerWaalsContact O-N 3.15Å
325	K	88.8	Confident	88.2	Confident	37 Å²	37	44.2 Å²	44.2	16%	0.161	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-40.2	173.7	-73	-163.4	171.3	-161.1	0	112.5	G321 F322 N327 D328 C329 M352 F355 D494	G321-K325 PolarHBondContact O-N 3.06Å; F322-K325 PolarHBondContact O-N 3.39Å; K325-N327 PolarHBondContact O-N 2.98Å; K325-D328 PolarHBondContact O-N 2.66Å; K325-C329 PolarHBondContact O-N 2.96Å; K325-C329 PolarHBondContact O-SG 3.35Å; K325-M352 HydrophobicContact CB-CE 4.32Å; K325-M352 HydrophobicContact CB-SD 4.15Å; K325-F355 HydrophobicContact CD-CB 4.37Å; K325-F355 HydrophobicContact CD-CD2 4Å; K325-F355 HydrophobicContact CD-CG 4.14Å; K325-D494 IonicContact NZ-OD1 2.91Å; K325-D494 PolarHBondContact NZ-OD1 3.02Å; K325-D494 IonicContact NZ-OD2 3.96Å; K325-D494 PolarHBondContact NZ-OD2 3.47Å
326	L	90.3	Very high	87.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.6	-38.5	176.5	-175.3	61	0	0	0	112	L259 F322 T324 D328 C329 H330 M347 M352	L259-L326 HydrophobicContact CD2-CD1 4.31Å; L259-L326 HydrophobicContact CD2-CD2 3.97Å; F322-L326 HydrophobicContact CE1-CD2 4.06Å; F322-L326 WeakPolarHBondContact O-CB 3.42Å; F322-L326 PolarHBondContact O-N 3.26Å; T324-L326 VanDerWaalsContact C-N 3.31Å; T324-L326 PolarHBondContact O-N 3.05Å; L326-D328 VanDerWaalsContact C-N 3.3Å; L326-D328 PolarHBondContact O-N 3.1Å; L326-C329 WeakPolarHBondContact O-CB 3.5Å; L326-C329 PolarHBondContact O-N 2.91Å; L326-H330 PolarHBondContact O-CD2 3.24Å; L326-H330 VanDerWaalsContact O-CD2 3.29Å; L326-H330 PolarHBondContact O-N 3.15Å; L326-M347 HydrophobicContact CD1-CE 4.17Å; L326-M347 HydrophobicContact CD1-CG 4.48Å; L326-M347 HydrophobicContact CD1-SD 4.02Å; L326-M352 HydrophobicContact CB-CE 3.87Å; L326-M352 HydrophobicContact CD1-CE 4.42Å
327	N	89	Confident	85.6	Confident	24 Å²	24	53.1 Å²	53.1	13%	0.128	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-40.4	174.5	-73.7	-41.9	0	0	0	111.4	R266 H323 T324 K325 C329 H330 K331	R266-N327 PolarHBondContact NH2-OD1 3.42Å; H323-N327 WeakPolarHBondContact O-CB 3.23Å; H323-N327 PolarHBondContact O-N 2.79Å; H323-N327 PolarHBondContact O-ND2 3.43Å; T324-N327 WeakPolarHBondContact O-CB 3.33Å; T324-N327 PolarHBondContact O-N 2.69Å; T324-N327 VanDerWaalsContact O-N 3.12Å; K325-N327 PolarHBondContact O-N 2.98Å; N327-C329 VanDerWaalsContact C-N 3.34Å; N327-H330 PolarHBondContact O-N 2.94Å; N327-K331 PolarHBondContact O-N 3.4Å
328	D	87.3	Confident	83.9	Confident	89 Å²	89	57.1 Å²	57.1	48%	0.476	28%	0.279	S	S	.	.	H	α-helix	trans	-66.1	-39.5	177.4	-62.9	-26.3	0	0	0	111.1	T324 K325 L326 K331 V332	T324-D328 PolarHBondContact O-N 3.4Å; T324-D328 VanDerWaalsContact O-N 3.15Å; K325-D328 PolarHBondContact O-N 2.66Å; L326-D328 VanDerWaalsContact C-N 3.3Å; L326-D328 PolarHBondContact O-N 3.1Å; D328-K331 WeakPolarHBondContact O-CB 3.25Å; D328-K331 PolarHBondContact O-N 3.37Å; D328-V332 WeakPolarHBondContact O-CG2 3.32Å; D328-V332 PolarHBondContact O-N 3.49Å; D328-V332 VanDerWaalsContact O-N 3.11Å
329	C	87	Confident	82.1	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-45.6	171.8	-61.9	0	0	0	0	111.6	K325 L326 N327 K331 V332 Y333 L343 V346 M347	K325-C329 PolarHBondContact O-N 2.96Å; K325-C329 PolarHBondContact O-SG 3.35Å; L326-C329 WeakPolarHBondContact O-CB 3.5Å; L326-C329 PolarHBondContact O-N 2.91Å; N327-C329 VanDerWaalsContact C-N 3.34Å; C329-K331 VanDerWaalsContact C-N 3.32Å; C329-K331 PolarHBondContact O-N 3.07Å; C329-V332 PolarHBondContact O-N 3.41Å; C329-Y333 WeakPolarHBondContact O-CB 3.29Å; C329-Y333 PolarHBondContact O-N 2.83Å; C329-L343 HydrophobicContact CB-CD1 4.48Å; C329-V346 HydrophobicContact CB-CG1 4.05Å; C329-V346 WeakPolarHBondContact O-CG1 3.42Å; C329-M347 HydrophobicContact CB-CG 4.22Å
330	H	87.6	Confident	80.5	Confident	9 Å²	9	66.4 Å²	66.4	4%	0.042	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-39.9	175.6	-90.9	-80.9	0	0	0	112	L259 R266 L326 N327 V332 Y333 Y334	L259-H330 PolarHBondContact O-NE2 2.5Å; R266-H330 PolarHBondContact NH1-CD2 3.45Å; R266-H330 PolarHBondContact NH1-NE2 2.9Å; L326-H330 PolarHBondContact O-CD2 3.24Å; L326-H330 VanDerWaalsContact O-CD2 3.29Å; L326-H330 PolarHBondContact O-N 3.15Å; N327-H330 PolarHBondContact O-N 2.94Å; H330-V332 VanDerWaalsContact C-N 3.34Å; H330-V332 PolarHBondContact O-N 3.3Å; H330-Y333 PolarHBondContact O-N 3.39Å; H330-Y334 HydrophobicContact CB-CD2 4.3Å; H330-Y334 HydrophobicContact CB-CE2 4.19Å; H330-Y334 AromaticContact ND1-CE2 3.54Å; H330-Y334 WeakPolarHBondContact O-CD2 3.31Å; H330-Y334 PolarHBondContact O-N 3.37Å
331	K	86.6	Confident	79.1	Confident	154 Å²	154	62.6 Å²	62.6	67%	0.67	31%	0.312	S	S	*	.	H	α-helix	trans	-59	-46.7	176.8	-169.1	-179.6	180	-175.5	0	110.8	N327 D328 C329 T335	N327-K331 PolarHBondContact O-N 3.4Å; D328-K331 WeakPolarHBondContact O-CB 3.25Å; D328-K331 PolarHBondContact O-N 3.37Å; C329-K331 VanDerWaalsContact C-N 3.32Å; C329-K331 PolarHBondContact O-N 3.07Å; K331-T335 WeakPolarHBondContact O-CG2 3.11Å; K331-T335 PolarHBondContact O-N 3.39Å; K331-T335 VanDerWaalsContact O-N 3.15Å; K331-T335 PolarHBondContact O-OG1 3.16Å
332	V	83.6	Confident	78.3	Confident	34 Å²	34	63.8 Å²	63.8	21%	0.206	32%	0.317	C	S	.	.	H	α-helix	trans	-66.5	-39	176.6	176.9	0	0	0	0	111.9	D328 C329 H330 T335 H336 V346	D328-V332 WeakPolarHBondContact O-CG2 3.32Å; D328-V332 PolarHBondContact O-N 3.49Å; D328-V332 VanDerWaalsContact O-N 3.11Å; C329-V332 PolarHBondContact O-N 3.41Å; H330-V332 VanDerWaalsContact C-N 3.34Å; H330-V332 PolarHBondContact O-N 3.3Å; V332-T335 WeakPolarHBondContact CA-OG1 3.39Å; V332-T335 PolarHBondContact O-N 3.19Å; V332-T335 PolarHBondContact O-OG1 3.14Å; V332-H336 PolarHBondContact O-N 3.41Å; V332-H336 VanDerWaalsContact O-N 3.13Å; V332-H336 PolarHBondContact O-ND1 2.9Å; V332-V346 HydrophobicContact CB-CG1 3.95Å; V332-V346 HydrophobicContact CG1-CG1 3.94Å
333	Y	83.1	Confident	77.8	Confident	48 Å²	48	63.9 Å²	63.9	19%	0.188	32%	0.317	C	S	.	.	H	α-helix	trans	-63.4	-45	177.4	174	-98.8	0	0	0	112	Y260 C329 H330 H336 R337 N341 L343	Y260-Y333 HydrophobicContact CE1-CE1 4.27Å; C329-Y333 WeakPolarHBondContact O-CB 3.29Å; C329-Y333 PolarHBondContact O-N 2.83Å; H330-Y333 PolarHBondContact O-N 3.39Å; Y333-H336 CarbonylContact O-C 3.47Å; Y333-H336 PolarHBondContact O-N 2.57Å; Y333-R337 PolarHBondContact O-N 2.84Å; Y333-N341 WeakPolarHBondContact CD2-O 3.48Å; Y333-N341 WeakPolarHBondContact CE2-O 3.45Å; Y333-L343 HydrophobicContact CD2-CB 4.28Å; Y333-L343 HydrophobicContact CE2-CB 4.4Å; Y333-L343 HydrophobicContact CG-CD1 4.26Å
334	Y	81.8	Confident	77.2	Confident	129 Å²	129	66.1 Å²	66.1	51%	0.506	33%	0.329	S	S	.	.	H	α-helix	trans	-70.4	-30.4	178.7	-75.6	-63.3	0	0	0	113	H330	H330-Y334 HydrophobicContact CB-CD2 4.3Å; H330-Y334 HydrophobicContact CB-CE2 4.19Å; H330-Y334 AromaticContact ND1-CE2 3.54Å; H330-Y334 WeakPolarHBondContact O-CD2 3.31Å; H330-Y334 PolarHBondContact O-N 3.37Å
335	T	79.2	Confident	76.6	Confident	96 Å²	96	66.6 Å²	66.6	59%	0.589	33%	0.325	S	S	*	.	H	α-helix	trans	-73	-29.5	175.1	55.7	0	0	0	0	112.8	K331 V332	K331-T335 WeakPolarHBondContact O-CG2 3.11Å; K331-T335 PolarHBondContact O-N 3.39Å; K331-T335 VanDerWaalsContact O-N 3.15Å; K331-T335 PolarHBondContact O-OG1 3.16Å; V332-T335 WeakPolarHBondContact CA-OG1 3.39Å; V332-T335 PolarHBondContact O-N 3.19Å; V332-T335 PolarHBondContact O-OG1 3.14Å
336	H	69.6	Low	76.3	Confident	76 Å²	76	64.8 Å²	64.8	35%	0.352	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	25.3	-178.2	-60.8	86.7	0	0	0	113.4	V332 Y333 T338 E339 M462	V332-H336 PolarHBondContact O-N 3.41Å; V332-H336 VanDerWaalsContact O-N 3.13Å; V332-H336 PolarHBondContact O-ND1 2.9Å; Y333-H336 CarbonylContact O-C 3.47Å; Y333-H336 PolarHBondContact O-N 2.57Å; H336-T338 PolarHBondContact O-N 3.07Å; H336-T338 VanDerWaalsContact O-N 3.1Å; H336-E339 PolarHBondContact O-N 3.48Å; H336-M462 HydrophobicContact CB-CE 4.42Å
337	R	59.8	Low	75.9	Confident	183 Å²	183	64.8 Å²	64.8	69%	0.691	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.1	-173.7	-173.4	175.4	177.2	174.7	-0.5	114.3	Y333	Y333-R337 PolarHBondContact O-N 2.84Å
338	T	54.3	Low	75.3	Confident	139 Å²	139	64 Å²	64	85%	0.853	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-20.2	-178.8	45.3	0	0	0	0	113.7	H336	H336-T338 PolarHBondContact O-N 3.07Å; H336-T338 VanDerWaalsContact O-N 3.1Å
339	E	54.9	Low	74.7	Confident	82 Å²	82	61.8 Å²	61.8	38%	0.383	31%	0.305	S	S	.	.	S	Bend	trans	-97.9	139.1	172.9	-65	171	-176.8	0	0	106.9	H336 N341	H336-E339 PolarHBondContact O-N 3.48Å; E339-N341 WeakPolarHBondContact CB-ND2 3.46Å; E339-N341 PolarHBondContact O-N 3.5Å; E339-N341 PolarHBondContact OE2-ND2 2.94Å
340	N	57.3	Low	74.3	Confident	122 Å²	122	67.1 Å²	67.1	65%	0.652	33%	0.328	S	S	*	.			trans	-63.8	44.3	-176.2	-79.4	-25	0	0	0	114.5	S342	N340-S342 PolarHBondContact O-N 3.35Å
341	N	62.6	Low	73.7	Confident	9 Å²	9	67.1 Å²	67.1	5%	0.048	33%	0.331	C	S	.	.			trans	-84.8	107.3	-174.7	-69.5	-26.4	0	0	0	109.4	Y333 E339 Y460 M462	Y333-N341 WeakPolarHBondContact CD2-O 3.48Å; Y333-N341 WeakPolarHBondContact CE2-O 3.45Å; E339-N341 WeakPolarHBondContact CB-ND2 3.46Å; E339-N341 PolarHBondContact O-N 3.5Å; E339-N341 PolarHBondContact OE2-ND2 2.94Å; N341-Y460 PolarHBondContact OD1-O 3.09Å; N341-M462 HydrophobicContact CB-CE 4.29Å; N341-M462 WeakPolarHBondContact ND2-CE 3.39Å
342	S	72.5	Confident	73.6	Confident	49 Å²	49	59.8 Å²	59.8	34%	0.343	30%	0.299	S	S	.	.			trans	-64	143	170.9	58.2	0	0	0	0	111.1	N340 D344 R345 V346	N340-S342 PolarHBondContact O-N 3.35Å; S342-D344 PolarHBondContact O-N 2.93Å; S342-D344 VanDerWaalsContact O-N 3.1Å; S342-R345 WeakPolarHBondContact O-CB 3.48Å; S342-R345 PolarHBondContact O-N 2.87Å; S342-R345 WeakPolarHBondContact OG-CG 3.43Å; S342-V346 PolarHBondContact O-N 3.21Å
343	L	80.3	Confident	73.6	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-51.8	-34.8	174.9	-179.2	65.9	0	0	0	112.2	Y260 C329 Y333 R345 V346 M347	Y260-L343 HydrophobicContact CD2-CD2 4.23Å; Y260-L343 HydrophobicContact CE1-CD2 4.25Å; Y260-L343 HydrophobicContact CE2-CD2 3.65Å; Y260-L343 WeakPolarHBondContact OH-CB 3.39Å; C329-L343 HydrophobicContact CB-CD1 4.48Å; Y333-L343 HydrophobicContact CD2-CB 4.28Å; Y333-L343 HydrophobicContact CE2-CB 4.4Å; Y333-L343 HydrophobicContact CG-CD1 4.26Å; L343-R345 VanDerWaalsContact C-N 3.31Å; L343-R345 PolarHBondContact O-N 3.42Å; L343-V346 PolarHBondContact O-N 3.39Å; L343-V346 VanDerWaalsContact O-N 3.12Å; L343-M347 HydrophobicContact CD1-CG 4.44Å; L343-M347 HydrophobicContact CD2-SD 4.23Å; L343-M347 HydrophobicContact CG-CG 4.25Å; L343-M347 HydrophobicContact CG-SD 3.93Å; L343-M347 WeakPolarHBondContact O-CG 3.3Å; L343-M347 PolarHBondContact O-N 3.14Å
344	D	77.5	Confident	73.5	Confident	51 Å²	51	58 Å²	58	27%	0.273	29%	0.289	S	S	.	.	H	α-helix	trans	-59.4	-39.8	179.9	-57.2	-7.3	0	0	0	112.4	T252 S342 M347 A348	T252-D344 WeakPolarHBondContact CB-OD1 3.43Å; T252-D344 VanDerWaalsContact CB-OD2 3.29Å; T252-D344 WeakPolarHBondContact CB-OD2 3.38Å; T252-D344 HydrophobicContact CG2-CB 4.46Å; T252-D344 WeakPolarHBondContact CG2-OD1 3.47Å; T252-D344 WeakPolarHBondContact CG2-OD2 3.36Å; T252-D344 PolarHBondContact OG1-OD1 3.19Å; T252-D344 PolarHBondContact OG1-OD2 3.4Å; S342-D344 PolarHBondContact O-N 2.93Å; S342-D344 VanDerWaalsContact O-N 3.1Å; D344-M347 PolarHBondContact O-N 3.17Å; D344-A348 WeakPolarHBondContact O-CB 3.38Å; D344-A348 PolarHBondContact O-N 2.87Å
345	R	76.1	Confident	73.6	Confident	65 Å²	65	52.2 Å²	52.2	25%	0.245	27%	0.266	C	S	.	.	H	α-helix	trans	-66.5	-41.6	175.4	-73.7	176.5	-178.9	-170	0.5	111.4	S342 L343 A348 S349	S342-R345 WeakPolarHBondContact O-CB 3.48Å; S342-R345 PolarHBondContact O-N 2.87Å; S342-R345 WeakPolarHBondContact OG-CG 3.43Å; L343-R345 VanDerWaalsContact C-N 3.31Å; L343-R345 PolarHBondContact O-N 3.42Å; R345-A348 PolarHBondContact O-N 3.22Å; R345-S349 PolarHBondContact O-N 2.86Å; R345-S349 PolarHBondContact O-OG 3.21Å
346	V	81.1	Confident	74	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.4	-39.7	177.3	-176.7	0	0	0	0	111	C329 V332 S342 L343 S349 K350	C329-V346 HydrophobicContact CB-CG1 4.05Å; C329-V346 WeakPolarHBondContact O-CG1 3.42Å; V332-V346 HydrophobicContact CB-CG1 3.95Å; V332-V346 HydrophobicContact CG1-CG1 3.94Å; S342-V346 PolarHBondContact O-N 3.21Å; L343-V346 PolarHBondContact O-N 3.39Å; L343-V346 VanDerWaalsContact O-N 3.12Å; V346-S349 PolarHBondContact O-OG 3.47Å; V346-S349 VanDerWaalsContact O-OG 3.09Å; V346-K350 WeakPolarHBondContact O-CB 3.4Å; V346-K350 WeakPolarHBondContact O-CG 3.34Å; V346-K350 PolarHBondContact O-N 3.17Å; V346-K350 VanDerWaalsContact O-N 3.1Å
347	M	83.2	Confident	74.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-41.3	175.6	-72.1	176.3	68.4	0	0	111.6	L259 L326 C329 L343 D344 M352 L406 L410	L259-M347 HydrophobicContact CD2-CE 4.45Å; L326-M347 HydrophobicContact CD1-CE 4.17Å; L326-M347 HydrophobicContact CD1-CG 4.48Å; L326-M347 HydrophobicContact CD1-SD 4.02Å; C329-M347 HydrophobicContact CB-CG 4.22Å; L343-M347 HydrophobicContact CD1-CG 4.44Å; L343-M347 HydrophobicContact CD2-SD 4.23Å; L343-M347 HydrophobicContact CG-CG 4.25Å; L343-M347 HydrophobicContact CG-SD 3.93Å; L343-M347 WeakPolarHBondContact O-CG 3.3Å; L343-M347 PolarHBondContact O-N 3.14Å; D344-M347 PolarHBondContact O-N 3.17Å; M347-M352 HydrophobicContact CB-CB 4.07Å; M347-M352 HydrophobicContact CB-CG 4.42Å; M347-M352 HydrophobicContact CE-CE 4.19Å; M347-M352 HydrophobicContact CE-CG 3.77Å; M347-M352 WeakPolarHBondContact O-CB 3.47Å; M347-M352 PolarHBondContact O-N 3.48Å; M347-L406 HydrophobicContact CE-CD1 4.06Å; M347-L406 HydrophobicContact CE-CD2 4.23Å; M347-L410 HydrophobicContact CB-CD1 4.18Å; M347-L410 HydrophobicContact CB-CD2 3.76Å; M347-L410 HydrophobicContact CE-CD1 4.13Å
348	A	77.1	Confident	75.7	Confident	8 Å²	8	35.8 Å²	35.8	7%	0.066	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-48.2	175.4	0	0	0	0	0	111.8	D344 R345 K350 G351	D344-A348 WeakPolarHBondContact O-CB 3.38Å; D344-A348 PolarHBondContact O-N 2.87Å; R345-A348 PolarHBondContact O-N 3.22Å; A348-K350 VanDerWaalsContact C-N 3.28Å; A348-K350 PolarHBondContact O-N 3.41Å; A348-G351 PolarHBondContact O-N 2.95Å; A348-G351 VanDerWaalsContact O-N 3.1Å
349	S	73.1	Confident	77.2	Confident	42 Å²	42	29.1 Å²	29.1	29%	0.294	15%	0.151	S	C	.	.	H	α-helix	trans	-65.1	-30.7	-178.9	70.3	0	0	0	0	113.1	R345 V346 G351	R345-S349 PolarHBondContact O-N 2.86Å; R345-S349 PolarHBondContact O-OG 3.21Å; V346-S349 PolarHBondContact O-OG 3.47Å; V346-S349 VanDerWaalsContact O-OG 3.09Å; S349-G351 VanDerWaalsContact C-N 3.26Å; S349-G351 PolarHBondContact O-N 3.23Å
350	K	79.3	Confident	78.7	Confident	112 Å²	112	27 Å²	27	49%	0.487	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	11.9	175.5	-68.4	-65.2	-174.5	-174.3	0	114.7	V346 A348 M352	V346-K350 WeakPolarHBondContact O-CB 3.4Å; V346-K350 WeakPolarHBondContact O-CG 3.34Å; V346-K350 PolarHBondContact O-N 3.17Å; V346-K350 VanDerWaalsContact O-N 3.1Å; A348-K350 VanDerWaalsContact C-N 3.28Å; A348-K350 PolarHBondContact O-N 3.41Å; K350-M352 VanDerWaalsContact C-N 3.27Å; K350-M352 PolarHBondContact O-N 2.91Å
351	G	75.7	Confident	79.8	Confident	9 Å²	9	23.5 Å²	23.5	9%	0.093	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	18.1	174.5	0	0	0	0	0	114.4	A348 S349 R353 H354 F355	A348-G351 PolarHBondContact O-N 2.95Å; A348-G351 VanDerWaalsContact O-N 3.1Å; S349-G351 VanDerWaalsContact C-N 3.26Å; S349-G351 PolarHBondContact O-N 3.23Å; G351-R353 PolarHBondContact O-N 3.27Å; G351-H354 PolarHBondContact O-N 3.24Å; G351-F355 PolarHBondContact O-N 2.53Å
352	M	83.6	Confident	80.8	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-61.4	-29.8	-178.8	-171.1	60.9	133.1	0	0	112.2	F322 K325 L326 M347 K350 F355 C356 L410	F322-M352 HydrophobicContact CD2-CE 3.2Å; F322-M352 HydrophobicContact CD2-SD 3.76Å; F322-M352 HydrophobicContact CE1-CE 4.39Å; F322-M352 HydrophobicContact CE2-CE 3.09Å; F322-M352 HydrophobicContact CE2-CG 4.44Å; F322-M352 HydrophobicContact CE2-SD 3.87Å; F322-M352 HydrophobicContact CG-CE 3.97Å; F322-M352 HydrophobicContact CZ-CE 3.73Å; K325-M352 HydrophobicContact CB-CE 4.32Å; K325-M352 HydrophobicContact CB-SD 4.15Å; L326-M352 HydrophobicContact CB-CE 3.87Å; L326-M352 HydrophobicContact CD1-CE 4.42Å; M347-M352 HydrophobicContact CB-CB 4.07Å; M347-M352 HydrophobicContact CB-CG 4.42Å; M347-M352 HydrophobicContact CE-CE 4.19Å; M347-M352 HydrophobicContact CE-CG 3.77Å; M347-M352 WeakPolarHBondContact O-CB 3.47Å; M347-M352 PolarHBondContact O-N 3.48Å; K350-M352 VanDerWaalsContact C-N 3.27Å; K350-M352 PolarHBondContact O-N 2.91Å; M352-F355 PolarHBondContact O-N 3.41Å; M352-F355 HydrophobicContact SD-CD1 4.26Å; M352-C356 WeakPolarHBondContact O-CB 3.25Å; M352-C356 PolarHBondContact O-N 2.94Å; M352-C356 PolarHBondContact O-SG 3.34Å; M352-L410 HydrophobicContact CB-CD1 3.93Å; M352-L410 HydrophobicContact CG-CD1 3.96Å
353	R	83.7	Confident	81.5	Confident	19 Å²	19	21 Å²	21	7%	0.072	10%	0.103	C	C	.	.	H	α-helix	trans	-56.5	-53.8	173.9	-175.7	-174	168.2	-102.5	-12.5	112.4	G351 F355 C356 L357 G407 L410 G411 D499 L630 H631	G351-R353 PolarHBondContact O-N 3.27Å; R353-F355 VanDerWaalsContact C-N 3.31Å; R353-F355 PolarHBondContact O-N 2.91Å; R353-C356 PolarHBondContact O-N 3.48Å; R353-C356 VanDerWaalsContact O-N 3.15Å; R353-L357 HydrophobicContact CG-CD1 4.19Å; R353-L357 WeakPolarHBondContact O-CG 3.21Å; R353-L357 PolarHBondContact O-N 2.9Å; R353-G407 VanDerWaalsContact CG-O 3.29Å; R353-G407 WeakPolarHBondContact CG-O 3.44Å; R353-G407 PolarHBondContact NE-O 3.29Å; R353-L410 HydrophobicContact CB-CB 3.91Å; R353-L410 WeakPolarHBondContact CD-O 3.43Å; R353-L410 HydrophobicContact CG-CB 4.33Å; R353-G411 WeakPolarHBondContact CD-O 3.38Å; R353-D499 IonicContact NH1-OD1 3.63Å; R353-D499 IonicContact NH1-OD2 3.4Å; R353-L630 VanDerWaalsContact NH1-CB 3.26Å; R353-L630 PolarHBondContact NH2-O 2.83Å; R353-H631 PolarHBondContact NH1-O 2.93Å; R353-H631 PolarHBondContact NH2-O 3.43Å; R353-H631 VanDerWaalsContact NH2-O 3.17Å
354	H	80.3	Confident	81.9	Confident	25 Å²	25	23.9 Å²	23.9	12%	0.116	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-41.1	-177.6	-173.9	78.6	0	0	0	110.8	G351 C356 L357 I358	G351-H354 PolarHBondContact O-N 3.24Å; H354-C356 VanDerWaalsContact C-N 3.35Å; H354-C356 PolarHBondContact O-N 3.49Å; H354-L357 PolarHBondContact O-N 3.33Å; H354-I358 WeakPolarHBondContact NE2-CD1 3.24Å; H354-I358 WeakPolarHBondContact O-CG1 3.31Å; H354-I358 PolarHBondContact O-N 3.28Å; H354-I358 VanDerWaalsContact O-N 3.16Å
355	F	84.6	Confident	82.4	Confident	7 Å²	7	23.2 Å²	23.2	3%	0.031	11%	0.11	C	C	.	.	H	α-helix	trans	-57.6	-46.3	172.4	-177.3	-86.5	0	0	0	111.9	F322 K325 G351 M352 R353 I358 S359 F403 H641	F322-F355 HydrophobicContact CB-CE1 3.7Å; F322-F355 HydrophobicContact CB-CZ 4.33Å; F322-F355 HydrophobicContact CD2-CD1 4.3Å; F322-F355 HydrophobicContact CD2-CE1 4.21Å; F322-F355 HydrophobicContact CG-CE1 4.48Å; K325-F355 HydrophobicContact CD-CB 4.37Å; K325-F355 HydrophobicContact CD-CD2 4Å; K325-F355 HydrophobicContact CD-CG 4.14Å; G351-F355 PolarHBondContact O-N 2.53Å; M352-F355 PolarHBondContact O-N 3.41Å; M352-F355 HydrophobicContact SD-CD1 4.26Å; R353-F355 VanDerWaalsContact C-N 3.31Å; R353-F355 PolarHBondContact O-N 2.91Å; F355-I358 PolarHBondContact O-N 2.85Å; F355-S359 WeakPolarHBondContact CE1-OG 3.27Å; F355-S359 VanDerWaalsContact O-CB 3.29Å; F355-S359 WeakPolarHBondContact O-CB 3.45Å; F355-S359 PolarHBondContact O-N 2.88Å; F355-S359 PolarHBondContact O-OG 3.26Å; F355-F403 HydrophobicContact CD1-CE1 4.48Å; F355-F403 HydrophobicContact CE1-CE1 4.04Å; F355-H641 AromaticContact CD2-CE1 3.82Å; F355-H641 AromaticContact CE2-CE1 3.9Å
356	C	87.1	Confident	83.1	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.8	-42.3	179.9	-67.8	0	0	0	0	112.4	M352 R353 H354 I358 S359 E360 F403 L406	M352-C356 WeakPolarHBondContact O-CB 3.25Å; M352-C356 PolarHBondContact O-N 2.94Å; M352-C356 PolarHBondContact O-SG 3.34Å; R353-C356 PolarHBondContact O-N 3.48Å; R353-C356 VanDerWaalsContact O-N 3.15Å; H354-C356 VanDerWaalsContact C-N 3.35Å; H354-C356 PolarHBondContact O-N 3.49Å; C356-I358 VanDerWaalsContact C-N 3.35Å; C356-I358 PolarHBondContact O-N 3Å; C356-S359 PolarHBondContact O-N 3.46Å; C356-E360 WeakPolarHBondContact O-CB 3.48Å; C356-E360 PolarHBondContact O-N 3.39Å; C356-F403 HydrophobicContact CB-CB 4.44Å; C356-F403 HydrophobicContact CB-CD1 4.13Å; C356-F403 WeakPolarHBondContact CB-O 3.42Å; C356-L406 HydrophobicContact CB-CB 4.48Å
357	L	83.3	Confident	83.7	Confident	9 Å²	9	21 Å²	21	5%	0.047	10%	0.104	C	C	.	.	H	α-helix	trans	-64	-38	179.4	-71.1	170.7	0	0	0	112.9	R353 H354 L632 P633	R353-L357 HydrophobicContact CG-CD1 4.19Å; R353-L357 WeakPolarHBondContact O-CG 3.21Å; R353-L357 PolarHBondContact O-N 2.9Å; H354-L357 PolarHBondContact O-N 3.33Å; L357-L632 HydrophobicContact CD1-CD2 4.31Å; L357-P633 HydrophobicContact CB-CG 4.08Å
358	I	82.1	Confident	84.1	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-70	-46.9	173.3	-64.7	172.7	0	0	0	109.9	H354 F355 C356 E360 Q361 L362 P633 I638 H641	H354-I358 WeakPolarHBondContact NE2-CD1 3.24Å; H354-I358 WeakPolarHBondContact O-CG1 3.31Å; H354-I358 PolarHBondContact O-N 3.28Å; H354-I358 VanDerWaalsContact O-N 3.16Å; F355-I358 PolarHBondContact O-N 2.85Å; C356-I358 VanDerWaalsContact C-N 3.35Å; C356-I358 PolarHBondContact O-N 3Å; I358-E360 VanDerWaalsContact C-N 3.33Å; I358-E360 PolarHBondContact O-N 3.48Å; I358-Q361 PolarHBondContact O-N 3.38Å; I358-L362 HydrophobicContact CG2-CD1 4.48Å; I358-P633 HydrophobicContact CD1-CB 4.14Å; I358-P633 HydrophobicContact CG1-CB 3.64Å; I358-P633 HydrophobicContact CG1-CG 3.93Å; I358-I638 HydrophobicContact CG1-CG1 4.44Å; I358-H641 HydrophobicContact CD1-CB 4.06Å
359	S	86.4	Confident	84.9	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.4	-34.9	-176.3	-56.3	0	0	0	0	112.9	F355 C356 Q361 L362 V363	F355-S359 WeakPolarHBondContact CE1-OG 3.27Å; F355-S359 VanDerWaalsContact O-CB 3.29Å; F355-S359 WeakPolarHBondContact O-CB 3.45Å; F355-S359 PolarHBondContact O-N 2.88Å; F355-S359 PolarHBondContact O-OG 3.26Å; C356-S359 PolarHBondContact O-N 3.46Å; S359-Q361 VanDerWaalsContact C-N 3.25Å; S359-Q361 PolarHBondContact O-N 2.95Å; S359-L362 WeakPolarHBondContact O-CB 3.41Å; S359-L362 PolarHBondContact O-N 2.96Å; S359-V363 WeakPolarHBondContact O-CG2 3.04Å; S359-V363 PolarHBondContact O-N 3.3Å
360	E	86.9	Confident	85.9	Confident	36 Å²	36	21.5 Å²	21.5	17%	0.168	10%	0.104	C	C	.	.	H	α-helix	trans	-50.5	-47.5	176	179.1	-170.4	161.3	0	0	111.3	C356 I358 L362 V363 F364 H400 F403 H404	C356-E360 WeakPolarHBondContact O-CB 3.48Å; C356-E360 PolarHBondContact O-N 3.39Å; I358-E360 VanDerWaalsContact C-N 3.33Å; I358-E360 PolarHBondContact O-N 3.48Å; E360-L362 VanDerWaalsContact C-N 3.32Å; E360-L362 PolarHBondContact O-N 2.85Å; E360-V363 PolarHBondContact O-N 3.29Å; E360-F364 PolarHBondContact O-N 2.94Å; E360-H400 PolarHBondContact O-CD2 2.99Å; E360-F403 HydrophobicContact CB-CB 4.03Å; E360-H404 HydrophobicContact CG-CB 4.03Å; E360-H404 IonicContact OE1-CE1 2.83Å; E360-H404 IonicContact OE1-CG 2.79Å; E360-H404 IonicContact OE1-ND1 3.2Å; E360-H404 PolarHBondContact OE1-ND1 3.11Å; E360-H404 WeakPolarHBondContact OE2-CA 3.47Å; E360-H404 IonicContact OE2-ND1 3.1Å; E360-H404 PolarHBondContact OE2-ND1 2.78Å
361	Q	80.1	Confident	86.6	Confident	49 Å²	49	18 Å²	18	23%	0.229	10%	0.096	C	C	.	.	H	α-helix	trans	-64.9	-38.2	-179.2	-60.2	-179.7	-6.5	0	0	111.9	I358 S359 F364 F365 I638	I358-Q361 PolarHBondContact O-N 3.38Å; S359-Q361 VanDerWaalsContact C-N 3.25Å; S359-Q361 PolarHBondContact O-N 2.95Å; Q361-F364 PolarHBondContact O-N 2.9Å; Q361-F365 WeakPolarHBondContact O-CD2 3.02Å; Q361-F365 PolarHBondContact O-N 2.83Å; Q361-I638 VanDerWaalsContact OE1-CD1 3.31Å
362	L	82.1	Confident	87.5	Confident	6 Å²	6	20 Å²	20	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-66.7	-45.3	179.2	-56.7	178.5	0	0	0	111.3	I314 T318 I358 S359 E360 F364 F365 S366 W642 F646	I314-L362 HydrophobicContact CG2-CB 4.2Å; I314-L362 HydrophobicContact CG2-CD1 4.17Å; I314-L362 HydrophobicContact CG2-CD2 4.46Å; T318-L362 HydrophobicContact CG2-CB 4.29Å; T318-L362 HydrophobicContact CG2-CD1 3.57Å; I358-L362 HydrophobicContact CG2-CD1 4.48Å; S359-L362 WeakPolarHBondContact O-CB 3.41Å; S359-L362 PolarHBondContact O-N 2.96Å; E360-L362 VanDerWaalsContact C-N 3.32Å; E360-L362 PolarHBondContact O-N 2.85Å; L362-F364 VanDerWaalsContact C-N 3.26Å; L362-F364 PolarHBondContact O-N 2.82Å; L362-F365 PolarHBondContact O-N 2.86Å; L362-S366 PolarHBondContact O-N 3.44Å; L362-W642 HydrophobicContact CD2-CE3 3.64Å; L362-W642 HydrophobicContact CD2-CH2 3.39Å; L362-W642 HydrophobicContact CD2-CZ2 4.37Å; L362-W642 HydrophobicContact CD2-CZ3 2.96Å; L362-W642 HydrophobicContact CG-CZ3 4.42Å; L362-F646 HydrophobicContact CD1-CE2 3.83Å; L362-F646 HydrophobicContact CD1-CZ 3.72Å
363	V	88.8	Confident	88	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.2	-29.2	178.1	-177.9	0	0	0	0	111.4	F315 S359 E360 F365 S366 L367 A399 H400 F403	F315-V363 HydrophobicContact CD2-CB 4.18Å; F315-V363 HydrophobicContact CD2-CG1 3.76Å; F315-V363 HydrophobicContact CD2-CG2 3.7Å; F315-V363 HydrophobicContact CE2-CB 4.33Å; F315-V363 HydrophobicContact CE2-CG1 3.52Å; F315-V363 HydrophobicContact CE2-CG2 3.95Å; S359-V363 WeakPolarHBondContact O-CG2 3.04Å; S359-V363 PolarHBondContact O-N 3.3Å; E360-V363 PolarHBondContact O-N 3.29Å; V363-F365 VanDerWaalsContact C-N 3.29Å; V363-F365 PolarHBondContact O-N 3.32Å; V363-S366 PolarHBondContact O-N 3.37Å; V363-S366 PolarHBondContact O-OG 3.07Å; V363-L367 PolarHBondContact O-N 2.8Å; V363-L367 VanDerWaalsContact O-N 3.15Å; V363-A399 HydrophobicContact CG1-CB 4.2Å; V363-H400 HydrophobicContact CB-CB 4.46Å; V363-H400 HydrophobicContact CG1-CB 3.84Å; V363-F403 HydrophobicContact CB-CD2 4.47Å; V363-F403 HydrophobicContact CG2-CD2 3.65Å; V363-F403 HydrophobicContact CG2-CE2 3.61Å
364	F	88.1	Confident	88.5	Confident	61 Å²	61	19 Å²	19	27%	0.268	10%	0.102	S	C	.	.	H	α-helix	trans	-61.6	-38.5	172.9	-174	-103.8	0	0	0	112.1	E360 Q361 L362 L367 V368 H400 F660	E360-F364 PolarHBondContact O-N 2.94Å; Q361-F364 PolarHBondContact O-N 2.9Å; L362-F364 VanDerWaalsContact C-N 3.26Å; L362-F364 PolarHBondContact O-N 2.82Å; F364-L367 PolarHBondContact O-N 3.19Å; F364-V368 HydrophobicContact CD1-CG2 4.23Å; F364-V368 HydrophobicContact CE1-CG2 3.79Å; F364-V368 HydrophobicContact CE2-CG2 4.5Å; F364-V368 HydrophobicContact CZ-CG2 3.94Å; F364-V368 WeakPolarHBondContact O-CG2 3.17Å; F364-V368 PolarHBondContact O-N 3.4Å; F364-V368 VanDerWaalsContact O-N 3.07Å; F364-H400 AromaticContact CD2-NE2 3.97Å; F364-F660 HydrophobicContact CE1-CE1 4.17Å; F364-F660 HydrophobicContact CE1-CZ 4.17Å
365	F	87.9	Confident	89	Confident	37 Å²	37	21 Å²	21	16%	0.162	12%	0.123	C	C	.	.	H	α-helix	trans	-67.5	-36.1	176.1	-74.8	-68.9	0	0	0	113.3	Q361 L362 V363 L367 V368 A369 L656 A657	Q361-F365 WeakPolarHBondContact O-CD2 3.02Å; Q361-F365 PolarHBondContact O-N 2.83Å; L362-F365 PolarHBondContact O-N 2.86Å; V363-F365 VanDerWaalsContact C-N 3.29Å; V363-F365 PolarHBondContact O-N 3.32Å; F365-L367 VanDerWaalsContact C-N 3.31Å; F365-V368 PolarHBondContact O-N 2.96Å; F365-A369 WeakPolarHBondContact O-CB 3.33Å; F365-A369 PolarHBondContact O-N 2.97Å; F365-L656 HydrophobicContact CZ-CB 4.36Å; F365-A657 HydrophobicContact CE2-CB 3.79Å; F365-A657 HydrophobicContact CZ-CB 4.42Å
366	S	91.6	Very high	89.3	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62	-43.3	174	69	0	0	0	0	110.7	H312 L362 V363 V368 A369 T370 E396	H312-S366 PolarHBondContact CE1-O 3.2Å; L362-S366 PolarHBondContact O-N 3.44Å; V363-S366 PolarHBondContact O-N 3.37Å; V363-S366 PolarHBondContact O-OG 3.07Å; S366-V368 PolarHBondContact O-N 3.35Å; S366-A369 CarbonylContact O-C 3.59Å; S366-A369 WeakPolarHBondContact O-CA 3.38Å; S366-A369 WeakPolarHBondContact O-CB 3.48Å; S366-A369 PolarHBondContact O-N 3.01Å; S366-A369 VanDerWaalsContact O-N 3.07Å; S366-T370 PolarHBondContact O-N 3.03Å; S366-T370 PolarHBondContact O-OG1 3.29Å; S366-E396 WeakPolarHBondContact CB-OE2 3.31Å; S366-E396 PolarHBondContact OG-OE2 2.96Å
367	L	91.9	Very high	89.5	Confident	20 Å²	20	23.2 Å²	23.2	11%	0.105	14%	0.137	C	C	.	.	H	α-helix	trans	-62.9	-44.4	-179.3	-168.7	153.4	0	0	0	111.5	L200 V363 F364 F365 T370 A371 E396	L200-L367 HydrophobicContact CD1-CD1 3.48Å; L200-L367 VanDerWaalsContact CD1-CD1 3.48Å; L200-L367 HydrophobicContact CD1-CD2 4.22Å; V363-L367 PolarHBondContact O-N 2.8Å; V363-L367 VanDerWaalsContact O-N 3.15Å; F364-L367 PolarHBondContact O-N 3.19Å; F365-L367 VanDerWaalsContact C-N 3.31Å; L367-T370 PolarHBondContact O-N 3.5Å; L367-A371 PolarHBondContact O-N 2.84Å; L367-E396 WeakPolarHBondContact CA-OE2 3.25Å; L367-E396 HydrophobicContact CB-CB 4.45Å; L367-E396 HydrophobicContact CD1-CB 4.32Å; L367-E396 HydrophobicContact CG-CB 4.46Å; L367-E396 PolarHBondContact N-OE2 2.68Å
368	V	91.8	Very high	89.9	Confident	58 Å²	58	25.9 Å²	25.9	35%	0.352	15%	0.147	S	C	.	.	H	α-helix	trans	-63.1	-42.9	174.1	174.3	0	0	0	0	110.8	F364 F365 S366 T370 A371 V372	F364-V368 HydrophobicContact CD1-CG2 4.23Å; F364-V368 HydrophobicContact CE1-CG2 3.79Å; F364-V368 HydrophobicContact CE2-CG2 4.5Å; F364-V368 HydrophobicContact CZ-CG2 3.94Å; F364-V368 WeakPolarHBondContact O-CG2 3.17Å; F364-V368 PolarHBondContact O-N 3.4Å; F364-V368 VanDerWaalsContact O-N 3.07Å; F365-V368 PolarHBondContact O-N 2.96Å; S366-V368 PolarHBondContact O-N 3.35Å; V368-T370 VanDerWaalsContact C-N 3.33Å; V368-T370 PolarHBondContact O-N 3.43Å; V368-A371 PolarHBondContact O-N 3.2Å; V368-V372 HydrophobicContact CG1-CG2 4.3Å; V368-V372 VanDerWaalsContact O-CG2 3.3Å; V368-V372 WeakPolarHBondContact O-CG2 3.31Å; V368-V372 PolarHBondContact O-N 3.43Å
369	A	94	Very high	90.3	Very high	2 Å²	2	26.6 Å²	26.6	2%	0.017	15%	0.15	C	C	.	.	H	α-helix	trans	-60.9	-41.8	177.5	0	0	0	0	0	111.7	F307 W308 C311 F365 S366 V372 L373	F307-A369 HydrophobicContact CD1-CB 3.88Å; F307-A369 HydrophobicContact CE1-CB 3.76Å; W308-A369 HydrophobicContact CB-CB 4.46Å; C311-A369 HydrophobicContact CB-CB 4.26Å; F365-A369 WeakPolarHBondContact O-CB 3.33Å; F365-A369 PolarHBondContact O-N 2.97Å; S366-A369 CarbonylContact O-C 3.59Å; S366-A369 WeakPolarHBondContact O-CA 3.38Å; S366-A369 WeakPolarHBondContact O-CB 3.48Å; S366-A369 PolarHBondContact O-N 3.01Å; S366-A369 VanDerWaalsContact O-N 3.07Å; A369-V372 PolarHBondContact O-N 3.01Å; A369-L373 VanDerWaalsContact O-CB 3.29Å; A369-L373 WeakPolarHBondContact O-CB 3.36Å; A369-L373 PolarHBondContact O-N 3.23Å
370	T	95.4	Very high	90.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.6	-43.9	175.6	-70.3	0	0	0	0	111.8	F280 W308 H312 S366 L367 V368 V372 L373 G374 F389 V392 L393 E396	F280-T370 HydrophobicContact CE1-CG2 4Å; F280-T370 HydrophobicContact CZ-CG2 4.3Å; W308-T370 PolarHBondContact NE1-OG1 3.3Å; H312-T370 PolarHBondContact CE1-OG1 2.84Å; H312-T370 PolarHBondContact NE2-OG1 2.98Å; H312-T370 VanDerWaalsContact NE2-OG1 3.16Å; S366-T370 PolarHBondContact O-N 3.03Å; S366-T370 PolarHBondContact O-OG1 3.29Å; L367-T370 PolarHBondContact O-N 3.5Å; V368-T370 VanDerWaalsContact C-N 3.33Å; V368-T370 PolarHBondContact O-N 3.43Å; T370-V372 PolarHBondContact O-N 3.2Å; T370-L373 PolarHBondContact O-N 3.35Å; T370-G374 PolarHBondContact O-N 3.02Å; T370-F389 HydrophobicContact CG2-CD2 4.45Å; T370-F389 HydrophobicContact CG2-CE2 4.3Å; T370-V392 HydrophobicContact CG2-CB 4.47Å; T370-V392 HydrophobicContact CG2-CG1 3.75Å; T370-L393 HydrophobicContact CG2-CD2 4.35Å; T370-E396 WeakPolarHBondContact CB-OE1 3.07Å; T370-E396 WeakPolarHBondContact CG2-OE1 3.41Å; T370-E396 PolarHBondContact OG1-OE1 3.02Å
371	A	94.2	Very high	90.3	Very high	38 Å²	38	33.9 Å²	33.9	31%	0.314	20%	0.199	S	C	.	.	H	α-helix	trans	-60.6	-44.1	176.2	0	0	0	0	0	112	L367 V368 A375	L367-A371 PolarHBondContact O-N 2.84Å; V368-A371 PolarHBondContact O-N 3.2Å; A371-A375 WeakPolarHBondContact O-CB 3.32Å; A371-A375 PolarHBondContact O-N 3.2Å
372	V	93.8	Very high	90.8	Very high	50 Å²	50	33.2 Å²	33.2	30%	0.303	20%	0.197	S	C	.	.	H	α-helix	trans	-68	-47	178.5	173.6	0	0	0	0	111.3	F304 V368 A369 T370 G374 A375 V376	F304-V372 HydrophobicContact CD1-CG1 3.42Å; F304-V372 VanDerWaalsContact CD1-CG1 3.42Å; F304-V372 HydrophobicContact CD2-CG1 4.36Å; F304-V372 HydrophobicContact CE1-CG1 3.55Å; F304-V372 HydrophobicContact CE2-CG1 4.47Å; F304-V372 HydrophobicContact CG-CG1 3.87Å; F304-V372 HydrophobicContact CZ-CG1 4.09Å; V368-V372 HydrophobicContact CG1-CG2 4.3Å; V368-V372 VanDerWaalsContact O-CG2 3.3Å; V368-V372 WeakPolarHBondContact O-CG2 3.31Å; V368-V372 PolarHBondContact O-N 3.43Å; A369-V372 PolarHBondContact O-N 3.01Å; T370-V372 PolarHBondContact O-N 3.2Å; V372-G374 VanDerWaalsContact C-N 3.32Å; V372-G374 PolarHBondContact O-N 3.43Å; V372-A375 PolarHBondContact O-N 3.37Å; V372-V376 HydrophobicContact CG1-CG2 4.33Å; V372-V376 WeakPolarHBondContact O-CG2 3.29Å; V372-V376 PolarHBondContact O-N 3.37Å
373	L	94.6	Very high	91.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-42.4	177.5	-175.1	66.5	0	0	0	110.9	F280 F281 A284 F301 F304 W308 A369 T370 A375 V376 C377	F280-L373 HydrophobicContact CE1-CD2 4.16Å; F281-L373 HydrophobicContact CD2-CD2 3.87Å; F281-L373 HydrophobicContact CE2-CD2 4.27Å; A284-L373 HydrophobicContact CB-CD2 4.44Å; A284-L373 HydrophobicContact CB-CG 4.48Å; F301-L373 HydrophobicContact CD2-CD1 4.29Å; F301-L373 HydrophobicContact CE2-CD1 4.4Å; F304-L373 HydrophobicContact CB-CD1 4.27Å; W308-L373 HydrophobicContact CB-CD2 3.92Å; W308-L373 HydrophobicContact CD2-CD2 3.91Å; W308-L373 HydrophobicContact CG-CB 4.49Å; W308-L373 HydrophobicContact CG-CD2 3.53Å; A369-L373 VanDerWaalsContact O-CB 3.29Å; A369-L373 WeakPolarHBondContact O-CB 3.36Å; A369-L373 PolarHBondContact O-N 3.23Å; T370-L373 PolarHBondContact O-N 3.35Å; L373-A375 VanDerWaalsContact C-N 3.34Å; L373-A375 PolarHBondContact O-N 3.46Å; L373-V376 PolarHBondContact O-N 3.44Å; L373-C377 VanDerWaalsContact CD1-SG 3.58Å; L373-C377 WeakPolarHBondContact O-CB 3.47Å; L373-C377 PolarHBondContact O-N 3.47Å; L373-C377 PolarHBondContact O-SG 3.01Å
374	G	93	Very high	91.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.1	-41.6	175.2	0	0	0	0	0	113	T370 V372 W378	T370-G374 PolarHBondContact O-N 3.02Å; V372-G374 VanDerWaalsContact C-N 3.32Å; V372-G374 PolarHBondContact O-N 3.43Å; G374-W378 WeakPolarHBondContact O-CA 3.17Å; G374-W378 PolarHBondContact O-N 3.46Å
375	A	91.6	Very high	91.8	Very high	68 Å²	68	32.4 Å²	32.4	56%	0.562	20%	0.195	S	C	*	.	H	α-helix	trans	-69.5	-43.6	178	0	0	0	0	0	112.9	A371 V372 L373 W378	A371-A375 WeakPolarHBondContact O-CB 3.32Å; A371-A375 PolarHBondContact O-N 3.2Å; V372-A375 PolarHBondContact O-N 3.37Å; L373-A375 VanDerWaalsContact C-N 3.34Å; L373-A375 PolarHBondContact O-N 3.46Å; A375-W378 WeakPolarHBondContact O-CB 3.19Å; A375-W378 PolarHBondContact O-N 2.9Å
376	V	90.6	Very high	92.1	Very high	52 Å²	52	30.9 Å²	30.9	32%	0.315	19%	0.189	S	C	.	.	H	α-helix	trans	-68.5	-38.3	179.2	172.1	0	0	0	0	111.1	F304 V372 L373 W378	F304-V376 HydrophobicContact CD2-CB 4.35Å; F304-V376 HydrophobicContact CD2-CG1 4.19Å; F304-V376 HydrophobicContact CD2-CG2 3.69Å; F304-V376 HydrophobicContact CE2-CG2 3.81Å; F304-V376 HydrophobicContact CG-CG2 4.48Å; V372-V376 HydrophobicContact CG1-CG2 4.33Å; V372-V376 WeakPolarHBondContact O-CG2 3.29Å; V372-V376 PolarHBondContact O-N 3.37Å; L373-V376 PolarHBondContact O-N 3.44Å; V376-W378 VanDerWaalsContact C-N 3.28Å; V376-W378 PolarHBondContact O-N 3.29Å
377	C	90.9	Very high	92.3	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	21.6	-178.4	-56	0	0	0	0	112.6	A284 K287 F301 L373 Q379 F385	A284-C377 HydrophobicContact CB-CB 3.98Å; K287-C377 HydrophobicContact CB-CB 4.47Å; F301-C377 VanDerWaalsContact CD2-SG 3.54Å; L373-C377 VanDerWaalsContact CD1-SG 3.58Å; L373-C377 WeakPolarHBondContact O-CB 3.47Å; L373-C377 PolarHBondContact O-N 3.47Å; L373-C377 PolarHBondContact O-SG 3.01Å; C377-Q379 WeakPolarHBondContact O-CG 3.47Å; C377-Q379 PolarHBondContact O-N 3.42Å; C377-F385 HydrophobicContact CB-CE2 4.5Å; C377-F385 HydrophobicContact CB-CZ 4.28Å; C377-F385 WeakPolarHBondContact O-CZ 3.48Å
378	W	92.4	Very high	92.5	Very high	64 Å²	64	30.2 Å²	30.2	24%	0.242	19%	0.186	C	C	.	.			trans	-59.5	127.4	-172.9	-169.6	-101.6	0	0	0	111.8	L211 L215 G374 A375 V376 F385 M386 F389	L211-W378 HydrophobicContact CD1-CH2 4.26Å; L211-W378 HydrophobicContact CD2-CH2 3.94Å; L211-W378 HydrophobicContact CD2-CZ2 4.44Å; L215-W378 HydrophobicContact CB-CZ2 4.23Å; L215-W378 HydrophobicContact CD1-CH2 4.11Å; L215-W378 HydrophobicContact CD1-CZ2 3.37Å; L215-W378 HydrophobicContact CG-CZ2 4.4Å; G374-W378 WeakPolarHBondContact O-CA 3.17Å; G374-W378 PolarHBondContact O-N 3.46Å; A375-W378 WeakPolarHBondContact O-CB 3.19Å; A375-W378 PolarHBondContact O-N 2.9Å; V376-W378 VanDerWaalsContact C-N 3.28Å; V376-W378 PolarHBondContact O-N 3.29Å; W378-F385 HydrophobicContact CE3-CE1 4.09Å; W378-M386 HydrophobicContact CH2-CG 4.04Å; W378-M386 HydrophobicContact CZ2-CE 3.86Å; W378-M386 HydrophobicContact CZ2-CG 4.04Å; W378-M386 HydrophobicContact CZ2-SD 4.14Å; W378-F389 HydrophobicContact CZ3-CD1 4.15Å; W378-F389 HydrophobicContact CZ3-CE1 4.38Å
379	Q	90.6	Very high	92.7	Very high	16 Å²	16	28.2 Å²	28.2	8%	0.075	17%	0.173	C	C	.	.			trans	-115.1	100.7	-179.6	-70.4	171.6	34.6	0	0	109.5	L283 K287 C377 T381 N382 F385 M386	L283-Q379 PolarHBondContact O-NE2 3.23Å; K287-Q379 HydrophobicContact CB-CG 4.43Å; K287-Q379 HydrophobicContact CD-CG 3.97Å; C377-Q379 WeakPolarHBondContact O-CG 3.47Å; C377-Q379 PolarHBondContact O-N 3.42Å; Q379-T381 PolarHBondContact O-N 3.06Å; Q379-N382 HydrophobicContact CB-CB 3.79Å; Q379-N382 PolarHBondContact O-N 3.34Å; Q379-N382 VanDerWaalsContact OE1-CB 3.29Å; Q379-N382 PolarHBondContact OE1-ND2 3Å; Q379-F385 HydrophobicContact CB-CB 4.37Å; Q379-F385 HydrophobicContact CB-CD1 3.89Å; Q379-F385 HydrophobicContact CB-CG 4.21Å; Q379-F385 HydrophobicContact CG-CD1 4.37Å; Q379-F385 HydrophobicContact CG-CG 4.41Å; Q379-M386 WeakPolarHBondContact O-CE 3.36Å
380	P	86.4	Confident	92.8	Very high	74 Å²	74	28.3 Å²	28.3	48%	0.481	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-18.5	-172.1	27.8	-35.2	0	0	0	113.8	S219 M386	S219-P380 WeakPolarHBondContact CB-O 3.47Å; P380-M386 VanDerWaalsContact C-CE 3.48Å; P380-M386 WeakPolarHBondContact O-CE 3.5Å
381	T	86.8	Confident	92.9	Very high	116 Å²	116	28.9 Å²	28.9	71%	0.712	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106	-13.1	-177	50.6	0	0	0	0	113.6	Q379 G383	Q379-T381 PolarHBondContact O-N 3.06Å; T381-G383 PolarHBondContact O-N 3.37Å
382	N	90.6	Very high	93	Very high	35 Å²	35	27 Å²	27	19%	0.187	16%	0.161	C	C	.	.			trans	-97.1	97.2	-174.3	-170.4	-12.7	0	0	0	111.2	Q379 I384 F385 M386	Q379-N382 HydrophobicContact CB-CB 3.79Å; Q379-N382 PolarHBondContact O-N 3.34Å; Q379-N382 VanDerWaalsContact OE1-CB 3.29Å; Q379-N382 PolarHBondContact OE1-ND2 3Å; N382-I384 VanDerWaalsContact C-N 3.26Å; N382-I384 PolarHBondContact O-N 2.8Å; N382-I384 WeakPolarHBondContact OD1-CB 3.49Å; N382-I384 PolarHBondContact OD1-N 3.44Å; N382-I384 VanDerWaalsContact OD1-N 3.08Å; N382-F385 HydrophobicContact CB-CB 4.06Å; N382-F385 PolarHBondContact O-N 3.06Å; N382-F385 PolarHBondContact OD1-N 3.09Å; N382-M386 PolarHBondContact O-N 3.31Å
383	G	91.1	Very high	93	Very high	3 Å²	3	25 Å²	25	3%	0.031	15%	0.149	C	C	.	.	H	α-helix	trans	-61.7	-32.1	177.3	0	0	0	0	0	113.5	F216 T381 M386 S387	F216-G383 WeakPolarHBondContact CE2-O 3.32Å; T381-G383 PolarHBondContact O-N 3.37Å; G383-M386 PolarHBondContact O-N 3.33Å; G383-S387 WeakPolarHBondContact O-CB 3.42Å; G383-S387 PolarHBondContact O-N 2.91Å; G383-S387 PolarHBondContact O-OG 3.13Å
384	I	94	Very high	93	Very high	47 Å²	47	25.2 Å²	25.2	24%	0.241	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-43.9	178.6	-60.4	176.4	0	0	0	110.3	S179 L182 L283 N382 S387 A388	S179-I384 WeakPolarHBondContact OG-CG1 3.42Å; L182-I384 HydrophobicContact CD1-CB 4.35Å; L182-I384 HydrophobicContact CD1-CG1 4.5Å; L182-I384 HydrophobicContact CD1-CG2 3.69Å; L283-I384 HydrophobicContact CD1-CG2 3.87Å; L283-I384 HydrophobicContact CD2-CG2 4.01Å; N382-I384 VanDerWaalsContact C-N 3.26Å; N382-I384 PolarHBondContact O-N 2.8Å; N382-I384 WeakPolarHBondContact OD1-CB 3.49Å; N382-I384 PolarHBondContact OD1-N 3.44Å; N382-I384 VanDerWaalsContact OD1-N 3.08Å; I384-S387 PolarHBondContact O-N 3.05Å; I384-A388 WeakPolarHBondContact O-CB 3.47Å; I384-A388 PolarHBondContact O-N 2.89Å
385	F	94.6	Very high	93.1	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-47.8	176.1	173.1	-96.4	0	0	0	111.8	F280 L283 A284 C377 W378 Q379 N382 S387 A388 F389	F280-F385 HydrophobicContact CD2-CE2 4.38Å; F280-F385 HydrophobicContact CE2-CD2 4.44Å; F280-F385 AromaticContact CE2-CE2 3.76Å; F280-F385 HydrophobicContact CE2-CE2 3.76Å; F280-F385 HydrophobicContact CE2-CZ 4.15Å; F280-F385 HydrophobicContact CZ-CE2 4.45Å; L283-F385 HydrophobicContact CB-CD2 4.13Å; A284-F385 HydrophobicContact CB-CE2 3.99Å; C377-F385 HydrophobicContact CB-CE2 4.5Å; C377-F385 HydrophobicContact CB-CZ 4.28Å; C377-F385 WeakPolarHBondContact O-CZ 3.48Å; W378-F385 HydrophobicContact CE3-CE1 4.09Å; Q379-F385 HydrophobicContact CB-CB 4.37Å; Q379-F385 HydrophobicContact CB-CD1 3.89Å; Q379-F385 HydrophobicContact CB-CG 4.21Å; Q379-F385 HydrophobicContact CG-CD1 4.37Å; Q379-F385 HydrophobicContact CG-CG 4.41Å; N382-F385 HydrophobicContact CB-CB 4.06Å; N382-F385 PolarHBondContact O-N 3.06Å; N382-F385 PolarHBondContact OD1-N 3.09Å; F385-S387 PolarHBondContact O-N 3.31Å; F385-A388 PolarHBondContact O-N 2.72Å; F385-F389 PolarHBondContact O-N 3.23Å
386	M	95.1	Very high	93.2	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.02	13%	0.127	C	C	.	.	H	α-helix	trans	-60.1	-44.4	178.5	-66.6	-175.9	-172	0	0	111.9	L215 F216 W378 Q379 P380 N382 G383 F389 L390	L215-M386 HydrophobicContact CB-CE 4.4Å; L215-M386 HydrophobicContact CB-SD 4.3Å; F216-M386 HydrophobicContact CB-SD 4.25Å; F216-M386 HydrophobicContact CD2-CB 4.02Å; F216-M386 HydrophobicContact CD2-SD 4.41Å; W378-M386 HydrophobicContact CH2-CG 4.04Å; W378-M386 HydrophobicContact CZ2-CE 3.86Å; W378-M386 HydrophobicContact CZ2-CG 4.04Å; W378-M386 HydrophobicContact CZ2-SD 4.14Å; Q379-M386 WeakPolarHBondContact O-CE 3.36Å; P380-M386 VanDerWaalsContact C-CE 3.48Å; P380-M386 WeakPolarHBondContact O-CE 3.5Å; N382-M386 PolarHBondContact O-N 3.31Å; G383-M386 PolarHBondContact O-N 3.33Å; M386-F389 PolarHBondContact O-N 3.22Å; M386-L390 WeakPolarHBondContact O-CG 3.4Å; M386-L390 PolarHBondContact O-N 3.38Å
387	S	95.3	Very high	93.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.8	-43.3	176.2	-68.2	0	0	0	0	111.9	S179 L182 L183 F216 G383 I384 F385 F389 L390 I391	S179-S387 PolarHBondContact O-OG 2.6Å; L182-S387 VanDerWaalsContact CB-CB 3.41Å; L183-S387 PolarHBondContact N-OG 3.07Å; F216-S387 WeakPolarHBondContact CE2-OG 3.47Å; G383-S387 WeakPolarHBondContact O-CB 3.42Å; G383-S387 PolarHBondContact O-N 2.91Å; G383-S387 PolarHBondContact O-OG 3.13Å; I384-S387 PolarHBondContact O-N 3.05Å; F385-S387 PolarHBondContact O-N 3.31Å; S387-F389 VanDerWaalsContact C-N 3.33Å; S387-F389 PolarHBondContact O-N 3.31Å; S387-L390 CarbonylContact O-C 3.55Å; S387-L390 PolarHBondContact O-N 3.06Å; S387-L390 VanDerWaalsContact O-N 3.15Å; S387-I391 WeakPolarHBondContact O-CG1 3.43Å; S387-I391 PolarHBondContact O-N 2.87Å
388	A	96.2	Very high	93.5	Very high	7 Å²	7	21.3 Å²	21.3	6%	0.058	12%	0.117	C	C	.	.	H	α-helix	trans	-59.6	-43.6	176.8	0	0	0	0	0	111.8	F280 L283 I384 F385 L390 I391 V392	F280-A388 HydrophobicContact CD2-CB 4.35Å; L283-A388 HydrophobicContact CD1-CB 3.7Å; I384-A388 WeakPolarHBondContact O-CB 3.47Å; I384-A388 PolarHBondContact O-N 2.89Å; F385-A388 PolarHBondContact O-N 2.72Å; A388-L390 VanDerWaalsContact C-N 3.33Å; A388-L390 PolarHBondContact O-N 2.87Å; A388-I391 WeakPolarHBondContact O-CB 3.46Å; A388-I391 PolarHBondContact O-N 3.45Å; A388-I391 VanDerWaalsContact O-N 3.12Å; A388-V392 WeakPolarHBondContact O-CG2 3.17Å; A388-V392 PolarHBondContact O-N 3.39Å
389	F	96.3	Very high	93.5	Very high	16 Å²	16	18.8 Å²	18.8	7%	0.07	11%	0.11	C	C	.	.	H	α-helix	trans	-58.6	-44	173.7	-178.8	-112.7	0	0	0	112.3	L211 F280 T370 W378 F385 M386 S387 I391 V392 L393	L211-F389 HydrophobicContact CD1-CD1 4.08Å; L211-F389 HydrophobicContact CD1-CE1 3.9Å; F280-F389 HydrophobicContact CD2-CB 4.44Å; F280-F389 HydrophobicContact CE2-CB 3.91Å; F280-F389 AromaticContact CE2-CD2 3.81Å; F280-F389 HydrophobicContact CE2-CD2 3.81Å; F280-F389 HydrophobicContact CE2-CG 4.35Å; F280-F389 AromaticContact CZ-CD2 3.9Å; F280-F389 HydrophobicContact CZ-CD2 3.9Å; T370-F389 HydrophobicContact CG2-CD2 4.45Å; T370-F389 HydrophobicContact CG2-CE2 4.3Å; W378-F389 HydrophobicContact CZ3-CD1 4.15Å; W378-F389 HydrophobicContact CZ3-CE1 4.38Å; F385-F389 PolarHBondContact O-N 3.23Å; M386-F389 PolarHBondContact O-N 3.22Å; S387-F389 VanDerWaalsContact C-N 3.33Å; S387-F389 PolarHBondContact O-N 3.31Å; F389-I391 VanDerWaalsContact C-N 3.28Å; F389-I391 PolarHBondContact O-N 3.42Å; F389-V392 PolarHBondContact O-N 3.3Å; F389-L393 HydrophobicContact CD1-CD1 4.05Å; F389-L393 HydrophobicContact CD2-CG 4.42Å; F389-L393 HydrophobicContact CE1-CD1 3.46Å; F389-L393 VanDerWaalsContact CE1-CD1 3.46Å; F389-L393 HydrophobicContact CE1-CG 4.27Å; F389-L393 HydrophobicContact CE2-CD1 4.06Å; F389-L393 HydrophobicContact CE2-CD2 4.24Å; F389-L393 HydrophobicContact CE2-CG 4.04Å; F389-L393 HydrophobicContact CZ-CD1 3.48Å; F389-L393 VanDerWaalsContact CZ-CD1 3.48Å; F389-L393 HydrophobicContact CZ-CD2 4.26Å; F389-L393 HydrophobicContact CZ-CG 3.98Å; F389-L393 PolarHBondContact O-N 3.28Å; F389-L393 VanDerWaalsContact O-N 3.12Å
390	L	96.1	Very high	93.7	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-70.2	-17.3	176.5	-72.1	175.6	0	0	0	114.2	L183 A186 I207 F208 L211 M386 S387 A388 P394	L183-L390 HydrophobicContact CD1-CD1 3.77Å; A186-L390 HydrophobicContact CB-CB 3.77Å; A186-L390 WeakPolarHBondContact CB-O 3.46Å; I207-L390 HydrophobicContact CG2-CD2 4.41Å; F208-L390 HydrophobicContact CB-CD2 4.35Å; F208-L390 HydrophobicContact CD2-CB 4.25Å; F208-L390 HydrophobicContact CD2-CD1 4.1Å; F208-L390 HydrophobicContact CD2-CD2 4.11Å; F208-L390 HydrophobicContact CD2-CG 4.4Å; F208-L390 HydrophobicContact CE2-CD1 4.28Å; L211-L390 HydrophobicContact CB-CD1 4.37Å; L211-L390 HydrophobicContact CB-CD2 4.29Å; L211-L390 HydrophobicContact CD1-CD2 3.84Å; L211-L390 HydrophobicContact CD1-CG 4.5Å; M386-L390 WeakPolarHBondContact O-CG 3.4Å; M386-L390 PolarHBondContact O-N 3.38Å; S387-L390 CarbonylContact O-C 3.55Å; S387-L390 PolarHBondContact O-N 3.06Å; S387-L390 VanDerWaalsContact O-N 3.15Å; A388-L390 VanDerWaalsContact C-N 3.33Å; A388-L390 PolarHBondContact O-N 2.87Å; L390-P394 WeakPolarHBondContact O-CD 3.13Å; L390-P394 WeakPolarHBondContact O-CG 3.38Å
391	I	96.9	Very high	93.8	Very high	11 Å²	11	15 Å²	15	6%	0.056	9%	0.085	C	C	.	.	H	α-helix	trans	-79.9	-48.1	169.9	-66.9	169.1	0	0	0	110.1	L182 M185 A186 M189 I276 S387 A388 F389 P394 L395	L182-I391 HydrophobicContact CB-CD1 4.34Å; L182-I391 HydrophobicContact CD2-CD1 4.02Å; M185-I391 HydrophobicContact CB-CD1 4.04Å; M185-I391 HydrophobicContact CB-CG1 4.43Å; A186-I391 HydrophobicContact CB-CG1 3.7Å; M189-I391 HydrophobicContact CG-CG2 4.29Å; I276-I391 HydrophobicContact CG2-CG2 3.83Å; S387-I391 WeakPolarHBondContact O-CG1 3.43Å; S387-I391 PolarHBondContact O-N 2.87Å; A388-I391 WeakPolarHBondContact O-CB 3.46Å; A388-I391 PolarHBondContact O-N 3.45Å; A388-I391 VanDerWaalsContact O-N 3.12Å; F389-I391 VanDerWaalsContact C-N 3.28Å; F389-I391 PolarHBondContact O-N 3.42Å; I391-P394 WeakPolarHBondContact O-CD 3.15Å; I391-L395 WeakPolarHBondContact O-CB 3.32Å; I391-L395 PolarHBondContact O-N 2.86Å
392	V	96.3	Very high	94	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-67.5	-40.3	-172.4	176.9	0	0	0	0	111.2	I276 E277 F280 T370 A388 F389 L395 E396	I276-V392 HydrophobicContact CG2-CG2 3.98Å; E277-V392 HydrophobicContact CG-CG1 4.29Å; F280-V392 HydrophobicContact CB-CG2 3.86Å; F280-V392 HydrophobicContact CG-CG2 4.16Å; T370-V392 HydrophobicContact CG2-CB 4.47Å; T370-V392 HydrophobicContact CG2-CG1 3.75Å; A388-V392 WeakPolarHBondContact O-CG2 3.17Å; A388-V392 PolarHBondContact O-N 3.39Å; F389-V392 PolarHBondContact O-N 3.3Å; V392-L395 WeakPolarHBondContact O-CB 3.13Å; V392-L395 PolarHBondContact O-N 3.21Å; V392-L395 VanDerWaalsContact O-N 3.1Å; V392-E396 HydrophobicContact CG1-CG 4.11Å; V392-E396 WeakPolarHBondContact CG1-OE1 3.36Å; V392-E396 PolarHBondContact O-N 2.9Å
393	L	94.1	Very high	94.1	Very high	8 Å²	8	7.9 Å²	7.9	4%	0.042	4%	0.043	C	C	.	.	H	α-helix	trans	-57.5	-54.8	-179	-79.5	-178.4	0	0	0	114	I207 T370 F389 L395 S397	I207-L393 HydrophobicContact CG2-CD1 4.18Å; T370-L393 HydrophobicContact CG2-CD2 4.35Å; F389-L393 HydrophobicContact CD1-CD1 4.05Å; F389-L393 HydrophobicContact CD2-CG 4.42Å; F389-L393 HydrophobicContact CE1-CD1 3.46Å; F389-L393 VanDerWaalsContact CE1-CD1 3.46Å; F389-L393 HydrophobicContact CE1-CG 4.27Å; F389-L393 HydrophobicContact CE2-CD1 4.06Å; F389-L393 HydrophobicContact CE2-CD2 4.24Å; F389-L393 HydrophobicContact CE2-CG 4.04Å; F389-L393 HydrophobicContact CZ-CD1 3.48Å; F389-L393 VanDerWaalsContact CZ-CD1 3.48Å; F389-L393 HydrophobicContact CZ-CD2 4.26Å; F389-L393 HydrophobicContact CZ-CG 3.98Å; F389-L393 PolarHBondContact O-N 3.28Å; F389-L393 VanDerWaalsContact O-N 3.12Å; L393-L395 PolarHBondContact O-N 3.31Å; L393-S397 WeakPolarHBondContact O-CB 3.48Å; L393-S397 PolarHBondContact O-N 3.4Å
394	P	94.8	Very high	93.9	Very high	4 Å²	4	10 Å²	10	3%	0.026	5%	0.052	C	C	.	.	H	α-helix	trans	-61.1	-31.8	173.4	-23.6	33.2	0	0	0	113.4	M189 L190 D193 L390 I391 S397 M398	M189-P394 HydrophobicContact CB-CB 4.03Å; L190-P394 HydrophobicContact CB-CG 4.46Å; D193-P394 HydrophobicContact CB-CB 4.21Å; L390-P394 WeakPolarHBondContact O-CD 3.13Å; L390-P394 WeakPolarHBondContact O-CG 3.38Å; I391-P394 WeakPolarHBondContact O-CD 3.15Å; P394-S397 WeakPolarHBondContact O-CB 3.46Å; P394-S397 PolarHBondContact O-N 3.45Å; P394-M398 WeakPolarHBondContact O-CB 3.5Å; P394-M398 VanDerWaalsContact O-CG 3.3Å; P394-M398 WeakPolarHBondContact O-CG 3.38Å; P394-M398 PolarHBondContact O-N 3.44Å
395	L	94.5	Very high	93.5	Very high	15 Å²	15	8.8 Å²	8.8	8%	0.079	5%	0.045	C	C	.	.	H	α-helix	trans	-67.2	-50.3	-179.2	-169.1	155.2	0	0	0	111.7	V273 I276 I391 V392 L393 S397 M398 A399	V273-L395 HydrophobicContact CB-CD2 4.07Å; V273-L395 HydrophobicContact CG1-CD2 3.38Å; V273-L395 HydrophobicContact CG2-CD1 4.08Å; V273-L395 HydrophobicContact CG2-CD2 3.71Å; V273-L395 HydrophobicContact CG2-CG 4.23Å; I276-L395 HydrophobicContact CD1-CD1 4.28Å; I391-L395 WeakPolarHBondContact O-CB 3.32Å; I391-L395 PolarHBondContact O-N 2.86Å; V392-L395 WeakPolarHBondContact O-CB 3.13Å; V392-L395 PolarHBondContact O-N 3.21Å; V392-L395 VanDerWaalsContact O-N 3.1Å; L393-L395 PolarHBondContact O-N 3.31Å; L395-S397 VanDerWaalsContact C-N 3.31Å; L395-M398 PolarHBondContact O-N 3.48Å; L395-A399 PolarHBondContact O-N 3.39Å; L395-A399 VanDerWaalsContact O-N 3.15Å
396	E	94.5	Very high	93.1	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-65.5	-36.9	175.3	-70.3	-170.6	-124.7	0	0	111.5	H312 S366 L367 T370 V392 M398 A399 H400	H312-E396 IonicContact CE1-OE1 3.8Å; H312-E396 IonicContact NE2-OE1 2.77Å; H312-E396 PolarHBondContact NE2-OE1 3.41Å; H312-E396 VanDerWaalsContact NE2-OE1 3.17Å; H312-E396 IonicContact NE2-OE2 3.64Å; S366-E396 WeakPolarHBondContact CB-OE2 3.31Å; S366-E396 PolarHBondContact OG-OE2 2.96Å; L367-E396 WeakPolarHBondContact CA-OE2 3.25Å; L367-E396 HydrophobicContact CB-CB 4.45Å; L367-E396 HydrophobicContact CD1-CB 4.32Å; L367-E396 HydrophobicContact CG-CB 4.46Å; L367-E396 PolarHBondContact N-OE2 2.68Å; T370-E396 WeakPolarHBondContact CB-OE1 3.07Å; T370-E396 WeakPolarHBondContact CG2-OE1 3.41Å; T370-E396 PolarHBondContact OG1-OE1 3.02Å; V392-E396 HydrophobicContact CG1-CG 4.11Å; V392-E396 WeakPolarHBondContact CG1-OE1 3.36Å; V392-E396 PolarHBondContact O-N 2.9Å; E396-M398 PolarHBondContact O-N 2.89Å; E396-A399 PolarHBondContact O-N 3.17Å; E396-H400 WeakPolarHBondContact O-CB 3.2Å; E396-H400 PolarHBondContact O-N 2.94Å
397	S	93.5	Very high	92.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-58.8	-43	172.8	169.8	0	0	0	0	112.8	D193 S198 L200 N204 L393 P394 L395 H400 G401	D193-S397 PolarHBondContact OD1-OG 2.82Å; D193-S397 PolarHBondContact OD2-OG 3.25Å; S198-S397 PolarHBondContact OG-OG 2.91Å; L200-S397 WeakPolarHBondContact CB-OG 3.08Å; N204-S397 WeakPolarHBondContact ND2-CB 3.33Å; N204-S397 PolarHBondContact ND2-OG 3.04Å; L393-S397 WeakPolarHBondContact O-CB 3.48Å; L393-S397 PolarHBondContact O-N 3.4Å; P394-S397 WeakPolarHBondContact O-CB 3.46Å; P394-S397 PolarHBondContact O-N 3.45Å; L395-S397 VanDerWaalsContact C-N 3.31Å; S397-H400 PolarHBondContact O-N 3.15Å; S397-G401 PolarHBondContact O-N 3.46Å
398	M	93.6	Very high	91.5	Very high	24 Å²	24	13.1 Å²	13.1	12%	0.118	7%	0.069	C	C	.	.	H	α-helix	trans	-63	-43	174.8	-78.6	-172.7	-67.4	0	0	111.5	M189 I192 D193 W255 P394 L395 E396 G401 L402	M189-M398 HydrophobicContact SD-CE 4.11Å; I192-M398 HydrophobicContact CB-SD 3.87Å; I192-M398 HydrophobicContact CG2-SD 3.42Å; I192-M398 WeakPolarHBondContact CG2-SD 3.24Å; D193-M398 HydrophobicContact CB-CG 3.81Å; D193-M398 HydrophobicContact CB-SD 4.35Å; D193-M398 WeakPolarHBondContact OD1-CG 3.39Å; W255-M398 HydrophobicContact CH2-CB 4.22Å; W255-M398 WeakPolarHBondContact CH2-O 3.41Å; P394-M398 WeakPolarHBondContact O-CB 3.5Å; P394-M398 VanDerWaalsContact O-CG 3.3Å; P394-M398 WeakPolarHBondContact O-CG 3.38Å; P394-M398 PolarHBondContact O-N 3.44Å; L395-M398 PolarHBondContact O-N 3.48Å; E396-M398 PolarHBondContact O-N 2.89Å; M398-G401 PolarHBondContact O-N 2.64Å; M398-L402 WeakPolarHBondContact O-CB 3.33Å; M398-L402 PolarHBondContact O-N 3.36Å
399	A	93	Very high	90.4	Very high	11 Å²	11	16.4 Å²	16.4	9%	0.091	9%	0.09	C	C	.	.	H	α-helix	trans	-62.9	-45.3	176.9	0	0	0	0	0	111.4	F315 L319 V363 L395 E396 L402 F403	F315-A399 HydrophobicContact CE2-CB 3.57Å; F315-A399 HydrophobicContact CZ-CB 3.7Å; L319-A399 HydrophobicContact CD2-CB 4.24Å; V363-A399 HydrophobicContact CG1-CB 4.2Å; L395-A399 PolarHBondContact O-N 3.39Å; L395-A399 VanDerWaalsContact O-N 3.15Å; E396-A399 PolarHBondContact O-N 3.17Å; A399-L402 WeakPolarHBondContact O-CB 3.26Å; A399-L402 PolarHBondContact O-N 3.46Å; A399-F403 WeakPolarHBondContact O-CD2 3.28Å; A399-F403 PolarHBondContact O-N 2.9Å
400	H	93.3	Very high	89.5	Confident	9 Å²	9	15.9 Å²	15.9	4%	0.042	9%	0.088	C	C	.	.	H	α-helix	trans	-59.7	-47.5	173.2	177.1	-86.4	0	0	0	111.5	E360 V363 F364 E396 S397 L402 F403 H404	E360-H400 PolarHBondContact O-CD2 2.99Å; V363-H400 HydrophobicContact CB-CB 4.46Å; V363-H400 HydrophobicContact CG1-CB 3.84Å; F364-H400 AromaticContact CD2-NE2 3.97Å; E396-H400 WeakPolarHBondContact O-CB 3.2Å; E396-H400 PolarHBondContact O-N 2.94Å; S397-H400 PolarHBondContact O-N 3.15Å; H400-L402 VanDerWaalsContact C-N 3.33Å; H400-L402 PolarHBondContact O-N 3.16Å; H400-F403 PolarHBondContact O-N 2.96Å; H400-H404 WeakPolarHBondContact O-CB 3.47Å; H400-H404 PolarHBondContact O-N 3.42Å
401	G	89.4	Confident	88.2	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.5	-42.4	178.5	0	0	0	0	0	112.5	S397 M398 F403 H404 E405	S397-G401 PolarHBondContact O-N 3.46Å; M398-G401 PolarHBondContact O-N 2.64Å; G401-F403 PolarHBondContact O-N 3.4Å; G401-H404 PolarHBondContact O-N 3Å; G401-E405 VanDerWaalsContact O-CB 3.27Å; G401-E405 WeakPolarHBondContact O-CB 3.3Å; G401-E405 WeakPolarHBondContact O-CG 3.49Å; G401-E405 PolarHBondContact O-N 2.74Å
402	L	91.6	Very high	87.1	Confident	2 Å²	2	16.2 Å²	16.2	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-56.8	-49.5	175.1	177	66.5	0	0	0	111.5	W255 Y258 F322 M398 A399 H400 L406	W255-L402 HydrophobicContact CB-CD1 4.45Å; W255-L402 HydrophobicContact CD2-CD1 3.55Å; W255-L402 HydrophobicContact CE3-CD1 3.68Å; W255-L402 HydrophobicContact CG-CD1 3.91Å; W255-L402 HydrophobicContact CH2-CB 3.8Å; W255-L402 HydrophobicContact CH2-CD1 4.39Å; W255-L402 HydrophobicContact CZ2-CB 3.81Å; W255-L402 HydrophobicContact CZ2-CD1 4.29Å; W255-L402 HydrophobicContact CZ3-CB 4.19Å; W255-L402 HydrophobicContact CZ3-CD1 4.1Å; Y258-L402 HydrophobicContact CD1-CD2 4.22Å; Y258-L402 HydrophobicContact CE1-CD2 3.69Å; F322-L402 HydrophobicContact CD1-CD2 4.49Å; F322-L402 HydrophobicContact CE1-CD2 3.8Å; F322-L402 HydrophobicContact CZ-CD1 4.5Å; F322-L402 HydrophobicContact CZ-CD2 3.91Å; F322-L402 HydrophobicContact CZ-CG 4.28Å; M398-L402 WeakPolarHBondContact O-CB 3.33Å; M398-L402 PolarHBondContact O-N 3.36Å; A399-L402 WeakPolarHBondContact O-CB 3.26Å; A399-L402 PolarHBondContact O-N 3.46Å; H400-L402 VanDerWaalsContact C-N 3.33Å; H400-L402 PolarHBondContact O-N 3.16Å; L402-L406 HydrophobicContact CD1-CD1 3.47Å; L402-L406 VanDerWaalsContact CD1-CD1 3.47Å; L402-L406 HydrophobicContact CD1-CG 4.09Å; L402-L406 HydrophobicContact CG-CD1 3.95Å; L402-L406 VanDerWaalsContact O-CB 3.24Å; L402-L406 WeakPolarHBondContact O-CB 3.45Å; L402-L406 VanDerWaalsContact O-CG 3.27Å; L402-L406 WeakPolarHBondContact O-CG 3.43Å; L402-L406 PolarHBondContact O-N 3.09Å
403	F	91.4	Very high	86.3	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.1	-44.1	179.7	-68.2	-58	0	0	0	112.3	L319 F322 F355 C356 E360 V363 A399 H400 G401 E405 G407	L319-F403 HydrophobicContact CD2-CE2 4Å; L319-F403 HydrophobicContact CD2-CZ 4.05Å; F322-F403 HydrophobicContact CB-CE1 3.87Å; F322-F403 HydrophobicContact CB-CZ 4.01Å; F322-F403 HydrophobicContact CD2-CD1 4.19Å; F322-F403 AromaticContact CD2-CE1 3.45Å; F322-F403 HydrophobicContact CD2-CE1 3.45Å; F322-F403 VanDerWaalsContact CD2-CE1 3.45Å; F322-F403 HydrophobicContact CD2-CZ 4.32Å; F322-F403 HydrophobicContact CE2-CD1 4.47Å; F322-F403 HydrophobicContact CE2-CE1 4.09Å; F322-F403 AromaticContact CG-CE1 3.74Å; F322-F403 HydrophobicContact CG-CE1 3.74Å; F322-F403 HydrophobicContact CG-CZ 4.17Å; F355-F403 HydrophobicContact CD1-CE1 4.48Å; F355-F403 HydrophobicContact CE1-CE1 4.04Å; C356-F403 HydrophobicContact CB-CB 4.44Å; C356-F403 HydrophobicContact CB-CD1 4.13Å; C356-F403 WeakPolarHBondContact CB-O 3.42Å; E360-F403 HydrophobicContact CB-CB 4.03Å; V363-F403 HydrophobicContact CB-CD2 4.47Å; V363-F403 HydrophobicContact CG2-CD2 3.65Å; V363-F403 HydrophobicContact CG2-CE2 3.61Å; A399-F403 WeakPolarHBondContact O-CD2 3.28Å; A399-F403 PolarHBondContact O-N 2.9Å; H400-F403 PolarHBondContact O-N 2.96Å; G401-F403 PolarHBondContact O-N 3.4Å; F403-E405 PolarHBondContact O-N 2.74Å; F403-G407 PolarHBondContact O-N 2.9Å
404	H	87.3	Confident	85.9	Confident	47 Å²	47	17 Å²	17	22%	0.218	10%	0.101	C	C	.	.	H	α-helix	trans	-59.6	-47.8	178	179.8	75.4	0	0	0	111.9	E360 H400 G401 N408	E360-H404 HydrophobicContact CG-CB 4.03Å; E360-H404 IonicContact OE1-CE1 2.83Å; E360-H404 IonicContact OE1-CG 2.79Å; E360-H404 IonicContact OE1-ND1 3.2Å; E360-H404 PolarHBondContact OE1-ND1 3.11Å; E360-H404 WeakPolarHBondContact OE2-CA 3.47Å; E360-H404 IonicContact OE2-ND1 3.1Å; E360-H404 PolarHBondContact OE2-ND1 2.78Å; H400-H404 WeakPolarHBondContact O-CB 3.47Å; H400-H404 PolarHBondContact O-N 3.42Å; G401-H404 PolarHBondContact O-N 3Å; H404-N408 PolarHBondContact CE1-ND2 3.12Å; H404-N408 VanDerWaalsContact CE1-ND2 3.26Å; H404-N408 PolarHBondContact NE2-ND2 2.8Å; H404-N408 WeakPolarHBondContact O-CB 3.34Å; H404-N408 VanDerWaalsContact O-CG 3.3Å; H404-N408 PolarHBondContact O-N 2.89Å; H404-N408 PolarHBondContact O-ND2 3.44Å
405	E	86.1	Confident	85.7	Confident	22 Å²	22	16.9 Å²	16.9	10%	0.103	10%	0.1	C	C	.	.	H	α-helix	trans	-73.5	-44.1	-176.5	-66.4	-175.4	149.8	0	0	111.8	K197 V251 R254 W255 G401 F403 N408 C409	K197-E405 VanDerWaalsContact O-OE1 3.08Å; V251-E405 HydrophobicContact CG1-CB 3.56Å; V251-E405 HydrophobicContact CG2-CB 4.12Å; R254-E405 IonicContact CZ-OE1 2.83Å; R254-E405 IonicContact CZ-OE2 3.42Å; R254-E405 IonicContact NH1-OE1 2.68Å; R254-E405 IonicContact NH2-OE1 3.86Å; R254-E405 PolarHBondContact NH2-OE1 3.25Å; R254-E405 IonicContact NH2-OE2 3.98Å; R254-E405 PolarHBondContact NH2-OE2 3.46Å; W255-E405 PolarHBondContact NE1-OE2 3.06Å; G401-E405 VanDerWaalsContact O-CB 3.27Å; G401-E405 WeakPolarHBondContact O-CB 3.3Å; G401-E405 WeakPolarHBondContact O-CG 3.49Å; G401-E405 PolarHBondContact O-N 2.74Å; F403-E405 PolarHBondContact O-N 2.74Å; E405-N408 PolarHBondContact O-N 2.96Å; E405-C409 VanDerWaalsContact O-CB 3.25Å; E405-C409 WeakPolarHBondContact O-CB 3.29Å; E405-C409 PolarHBondContact O-N 3.03Å; E405-C409 PolarHBondContact O-SG 2.81Å
406	L	85.5	Confident	85.5	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.5	-39.7	176.2	-72.3	176.5	0	0	0	112.1	V251 T252 L259 F322 M347 C356 L402 N408 C409 L410	V251-L406 HydrophobicContact CG1-CD2 4.26Å; T252-L406 HydrophobicContact CG2-CD2 4.12Å; L259-L406 HydrophobicContact CD2-CD1 4.39Å; F322-L406 HydrophobicContact CE2-CD1 3.88Å; F322-L406 HydrophobicContact CZ-CD1 3.75Å; M347-L406 HydrophobicContact CE-CD1 4.06Å; M347-L406 HydrophobicContact CE-CD2 4.23Å; C356-L406 HydrophobicContact CB-CB 4.48Å; L402-L406 HydrophobicContact CD1-CD1 3.47Å; L402-L406 VanDerWaalsContact CD1-CD1 3.47Å; L402-L406 HydrophobicContact CD1-CG 4.09Å; L402-L406 HydrophobicContact CG-CD1 3.95Å; L402-L406 VanDerWaalsContact O-CB 3.24Å; L402-L406 WeakPolarHBondContact O-CB 3.45Å; L402-L406 VanDerWaalsContact O-CG 3.27Å; L402-L406 WeakPolarHBondContact O-CG 3.43Å; L402-L406 PolarHBondContact O-N 3.09Å; L406-N408 PolarHBondContact O-N 3.17Å; L406-C409 PolarHBondContact O-N 3.25Å; L406-L410 HydrophobicContact CB-CD1 4.15Å; L406-L410 VanDerWaalsContact O-CB 3.31Å; L406-L410 WeakPolarHBondContact O-CB 3.32Å; L406-L410 WeakPolarHBondContact O-CG 3.29Å; L406-L410 PolarHBondContact O-N 2.94Å
407	G	82.6	Confident	85.6	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62	-31.1	176	0	0	0	0	0	113.2	R353 F403	R353-G407 VanDerWaalsContact CG-O 3.29Å; R353-G407 WeakPolarHBondContact CG-O 3.44Å; R353-G407 PolarHBondContact NE-O 3.29Å; F403-G407 PolarHBondContact O-N 2.9Å
408	N	75	Confident	85.5	Confident	95 Å²	95	16.2 Å²	16.2	51%	0.508	10%	0.096	S	C	.	.	H	α-helix	trans	-89.2	-24.5	178.2	-73.1	-42.7	0	0	0	114	H404 E405 L406	H404-N408 PolarHBondContact CE1-ND2 3.12Å; H404-N408 VanDerWaalsContact CE1-ND2 3.26Å; H404-N408 PolarHBondContact NE2-ND2 2.8Å; H404-N408 WeakPolarHBondContact O-CB 3.34Å; H404-N408 VanDerWaalsContact O-CG 3.3Å; H404-N408 PolarHBondContact O-N 2.89Å; H404-N408 PolarHBondContact O-ND2 3.44Å; E405-N408 PolarHBondContact O-N 2.96Å; L406-N408 PolarHBondContact O-N 3.17Å
409	C	73.7	Confident	85.4	Confident	76 Å²	76	15 Å²	15	51%	0.514	9%	0.091	S	C	.	.	H	α-helix	trans	-99.4	-29.2	-175.8	-74.2	0	0	0	0	115.1	V251 E405 L406	V251-C409 HydrophobicContact CB-CB 4.2Å; V251-C409 HydrophobicContact CG2-CB 4.18Å; V251-C409 WeakPolarHBondContact CG2-SG 3.45Å; E405-C409 VanDerWaalsContact O-CB 3.25Å; E405-C409 WeakPolarHBondContact O-CB 3.29Å; E405-C409 PolarHBondContact O-N 3.03Å; E405-C409 PolarHBondContact O-SG 2.81Å; L406-C409 PolarHBondContact O-N 3.25Å
410	L	76.4	Confident	85.2	Confident	6 Å²	6	14.5 Å²	14.5	3%	0.031	9%	0.086	C	C	.	.	S	Bend	trans	-67.6	142	177.1	-68.2	171.2	0	0	0	110.3	M347 M352 R353 L406	M347-L410 HydrophobicContact CB-CD1 4.18Å; M347-L410 HydrophobicContact CB-CD2 3.76Å; M347-L410 HydrophobicContact CE-CD1 4.13Å; M352-L410 HydrophobicContact CB-CD1 3.93Å; M352-L410 HydrophobicContact CG-CD1 3.96Å; R353-L410 HydrophobicContact CB-CB 3.91Å; R353-L410 WeakPolarHBondContact CD-O 3.43Å; R353-L410 HydrophobicContact CG-CB 4.33Å; L406-L410 HydrophobicContact CB-CD1 4.15Å; L406-L410 VanDerWaalsContact O-CB 3.31Å; L406-L410 WeakPolarHBondContact O-CB 3.32Å; L406-L410 WeakPolarHBondContact O-CG 3.29Å; L406-L410 PolarHBondContact O-N 2.94Å
411	G	69.8	Low	84.7	Confident	19 Å²	19	14.7 Å²	14.7	20%	0.196	9%	0.087	C	C	.	.			trans	-64.5	170.8	173.8	0	0	0	0	0	112.6	R353	R353-G411 WeakPolarHBondContact CD-O 3.38Å
412	G	72.9	Confident	83.7	Confident	2 Å²	2	15.4 Å²	15.4	2%	0.021	9%	0.092	C	C	.	.			trans	-79.4	175	175	0	0	0	0	0	113	D499 Q693	G412-D499 WeakPolarHBondContact CA-OD2 3.35Å; G412-Q693 PolarHBondContact O-NE2 3.45Å; G412-Q693 PolarHBondContact O-OE1 3.39Å
413	T	78.9	Confident	82.2	Confident	15 Å²	15	16 Å²	16	9%	0.092	10%	0.096	C	C	.	.			trans	-80.6	148.5	168.7	55.3	0	0	0	0	111.3	T492 H498 D499 T500 Q693	T413-T492 HydrophobicContact CG2-CG2 3.92Å; T413-H498 WeakPolarHBondContact OG1-CA 3.48Å; T413-D499 PolarHBondContact N-OD2 2.93Å; T413-D499 VanDerWaalsContact N-OD2 3.16Å; T413-D499 WeakPolarHBondContact O-CB 3.39Å; T413-D499 PolarHBondContact O-N 2.83Å; T413-D499 PolarHBondContact OG1-N 3.45Å; T413-T500 PolarHBondContact O-N 3.44Å; T413-Q693 PolarHBondContact O-NE2 2.73Å
414	C	85.6	Confident	80.4	Confident	11 Å²	11	19.4 Å²	19.4	7%	0.074	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	136.2	-178.1	-164.2	0	0	0	0	110.9	I463 E464 T500 I502	C414-I463 HydrophobicContact CB-CG1 4.15Å; C414-I463 HydrophobicContact CB-CG2 4.38Å; C414-E464 PolarHBondContact O-N 3.29Å; C414-T500 WeakPolarHBondContact CA-O 3.23Å; C414-I502 WeakPolarHBondContact SG-CD1 3.48Å
415	V	90.4	Very high	78.6	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.3	172.7	62.6	0	0	0	0	110	E464 F487 L490 H498 T500 Y501 I502	V415-E464 CarbonylContact C-O 3.48Å; V415-E464 VanDerWaalsContact CA-O 3.22Å; V415-E464 WeakPolarHBondContact CA-O 3.17Å; V415-E464 HydrophobicContact CB-CB 4.45Å; V415-E464 HydrophobicContact CG2-CB 4.39Å; V415-E464 VanDerWaalsContact CG2-O 3.25Å; V415-E464 WeakPolarHBondContact CG2-O 3.47Å; V415-F487 HydrophobicContact CB-CE2 4.3Å; V415-F487 HydrophobicContact CG1-CE2 3.75Å; V415-F487 HydrophobicContact CG1-CZ 4.28Å; V415-F487 HydrophobicContact CG2-CD2 4.24Å; V415-F487 HydrophobicContact CG2-CE2 3.81Å; V415-L490 HydrophobicContact CB-CD2 4.35Å; V415-L490 HydrophobicContact CG2-CD2 3.45Å; V415-L490 VanDerWaalsContact CG2-CD2 3.45Å; V415-H498 HydrophobicContact CB-CB 4.39Å; V415-H498 HydrophobicContact CG1-CB 3.82Å; V415-T500 PolarHBondContact N-O 3.46Å; V415-Y501 HydrophobicContact CG1-CD1 3.27Å; V415-Y501 HydrophobicContact CG1-CE1 3.47Å; V415-Y501 VanDerWaalsContact CG1-CE1 3.47Å; V415-Y501 HydrophobicContact CG1-CG 3.83Å; V415-Y501 CarbonylContact O-C 3.57Å; V415-Y501 WeakPolarHBondContact O-CA 3.4Å; V415-I502 PolarHBondContact O-N 2.95Å
416	G	91.9	Very high	76.9	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	137.9	-179.2	0	0	0	0	0	112.3	I463 E464 Y466 I502	G416-I463 VanDerWaalsContact N-CG2 3.27Å; G416-E464 PolarHBondContact N-O 2.97Å; G416-Y466 PolarHBondContact O-N 2.83Å; G416-I502 CarbonylContact C-O 3.53Å; G416-I502 WeakPolarHBondContact CA-O 3.49Å
417	Y	94.9	Very high	75.2	Confident	1 Å²	1	23.1 Å²	23.1	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.6	167.5	177.3	-135.1	0	0	0	108.7	V419 Y466 G467 D469 K483 I484 F487 I502 L503 Y504	Y417-V419 HydrophobicContact CD1-CG2 3.97Å; Y417-V419 HydrophobicContact CE1-CG2 3.33Å; Y417-V419 HydrophobicContact CE2-CG2 4.11Å; Y417-V419 VanDerWaalsContact CZ-CG2 3.42Å; Y417-Y466 AromaticContact CD2-CD1 3.56Å; Y417-Y466 HydrophobicContact CD2-CD1 3.56Å; Y417-Y466 HydrophobicContact CD2-CE1 4.17Å; Y417-Y466 HydrophobicContact CE2-CD1 4.06Å; Y417-Y466 HydrophobicContact CE2-CE1 4.24Å; Y417-Y466 AromaticContact CG-CD1 3.92Å; Y417-Y466 HydrophobicContact CG-CD1 3.92Å; Y417-G467 VanDerWaalsContact CD2-O 3.31Å; Y417-G467 WeakPolarHBondContact CD2-O 3.47Å; Y417-D469 HydrophobicContact CE2-CB 4.42Å; Y417-D469 WeakPolarHBondContact CE2-OD2 3.48Å; Y417-D469 PolarHBondContact OH-OD2 3.46Å; Y417-K483 WeakPolarHBondContact OH-CD 3.4Å; Y417-I484 HydrophobicContact CD1-CG1 4.46Å; Y417-I484 HydrophobicContact CE1-CG1 4.02Å; Y417-F487 HydrophobicContact CD1-CB 4.49Å; Y417-F487 HydrophobicContact CD1-CD1 4.42Å; Y417-F487 HydrophobicContact CD1-CG 4.39Å; Y417-F487 HydrophobicContact CG-CD2 4.5Å; Y417-F487 HydrophobicContact CG-CG 4.37Å; Y417-I502 PolarHBondContact N-O 3.32Å; Y417-L503 HydrophobicContact CD1-CD1 3.52Å; Y417-L503 HydrophobicContact CE1-CD1 4.27Å; Y417-L503 HydrophobicContact CG-CD1 4.29Å; Y417-L503 WeakPolarHBondContact O-CA 3.48Å; Y417-Y504 PolarHBondContact O-N 3.1Å
418	A	92.8	Very high	73.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131.8	-179.4	0	0	0	0	0	110.5	I454 F458 G467 C468 D469 Y504	A418-I454 HydrophobicContact CB-CG2 3.72Å; A418-F458 HydrophobicContact CB-CE2 4.08Å; A418-F458 HydrophobicContact CB-CZ 4.32Å; A418-G467 PolarHBondContact N-O 2.82Å; A418-C468 HydrophobicContact CB-CB 4.2Å; A418-C468 CarbonylContact O-C 3.6Å; A418-C468 WeakPolarHBondContact O-CA 3.33Å; A418-D469 PolarHBondContact O-N 2.91Å; A418-Y504 WeakPolarHBondContact CA-O 3.43Å; A418-Y504 HydrophobicContact CB-CD1 3.88Å; A418-Y504 HydrophobicContact CB-CG 4.49Å
419	V	90.9	Very high	72.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.2	177.8	-179	0	0	0	0	108.5	Y417 I421 L475 L480 Y504 Y505 S506	Y417-V419 HydrophobicContact CD1-CG2 3.97Å; Y417-V419 HydrophobicContact CE1-CG2 3.33Å; Y417-V419 HydrophobicContact CE2-CG2 4.11Å; Y417-V419 VanDerWaalsContact CZ-CG2 3.42Å; V419-I421 HydrophobicContact CG1-CD1 4.14Å; V419-I421 HydrophobicContact CG1-CG1 3.99Å; V419-L475 HydrophobicContact CG1-CD1 3.74Å; V419-L480 HydrophobicContact CG1-CD1 4.42Å; V419-L480 HydrophobicContact CG2-CD1 4.26Å; V419-Y504 PolarHBondContact N-O 3.37Å; V419-Y505 HydrophobicContact CB-CD2 4.16Å; V419-Y505 HydrophobicContact CG1-CD2 4.03Å; V419-Y505 HydrophobicContact CG1-CE2 4.39Å; V419-Y505 WeakPolarHBondContact O-CA 3.34Å; V419-S506 PolarHBondContact O-N 3.38Å
420	V	88.1	Confident	71.4	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	113.8	177.8	-178.9	0	0	0	0	109.4	M450 L451 D469 Y470 S471 Y504	V420-M450 HydrophobicContact CG1-CE 4.05Å; V420-L451 HydrophobicContact CB-CD1 4.5Å; V420-L451 HydrophobicContact CB-CD2 3.96Å; V420-L451 HydrophobicContact CB-CG 4.13Å; V420-L451 HydrophobicContact CG2-CD2 3.5Å; V420-L451 VanDerWaalsContact CG2-CD2 3.5Å; V420-L451 HydrophobicContact CG2-CG 3.82Å; V420-D469 PolarHBondContact N-O 2.7Å; V420-Y470 HydrophobicContact CB-CD2 4.36Å; V420-Y470 HydrophobicContact CG1-CD2 4.21Å; V420-S471 PolarHBondContact O-N 3.33Å; V420-Y504 HydrophobicContact CG2-CD1 4.5Å; V420-Y504 HydrophobicContact CG2-CE1 3.83Å
421	I	83.6	Confident	70.2	Confident	13 Å²	13	34.7 Å²	34.7	7%	0.067	20%	0.204	C	C	.	.			trans	-118.5	101.2	177.7	-53.3	179.7	0	0	0	107.7	V419 L475 Y505 S506 G507 L517	V419-I421 HydrophobicContact CG1-CD1 4.14Å; V419-I421 HydrophobicContact CG1-CG1 3.99Å; I421-L475 HydrophobicContact CD1-CB 4.16Å; I421-L475 HydrophobicContact CD1-CD1 3.99Å; I421-L475 HydrophobicContact CD1-CG 4.36Å; I421-L475 HydrophobicContact CG1-CD1 4.18Å; I421-Y505 HydrophobicContact CD1-CE2 3.98Å; I421-Y505 HydrophobicContact CG1-CE2 4.35Å; I421-S506 PolarHBondContact N-O 3.35Å; I421-G507 WeakPolarHBondContact O-CA 3.3Å; I421-L517 HydrophobicContact CD1-CD2 4.43Å
422	P	68.2	Low	69.6	Low	14 Å²	14	39.4 Å²	39.4	9%	0.091	23%	0.231	C	C	.	.			trans	-60	142.5	179.4	22.9	-31.7	0	0	0	111.9	L443 Y470 S471 T472	P422-L443 HydrophobicContact CB-CD2 3.88Å; P422-Y470 HydrophobicContact CG-CE2 3.85Å; P422-S471 WeakPolarHBondContact CD-O 3.44Å; P422-T472 HydrophobicContact CG-CG2 4.45Å
423	T	59.5	Low	69	Low	16 Å²	16	42.3 Å²	42.3	10%	0.098	25%	0.248	C	C	.	.	S	Bend	trans	-94.1	-22.3	-156.9	45.5	0	0	0	0	116.9	F425 C426 G507 H508 L588	T423-F425 VanDerWaalsContact C-N 3.26Å; T423-F425 PolarHBondContact O-N 2.94Å; T423-C426 PolarHBondContact O-N 3.18Å; T423-G507 VanDerWaalsContact CG2-C 3.4Å; T423-H508 HydrophobicContact CG2-CB 3.93Å; T423-H508 VanDerWaalsContact CG2-N 3.29Å; T423-L588 HydrophobicContact CG2-CD1 3.28Å; T423-L588 WeakPolarHBondContact OG1-CD1 3.47Å
424	N	53.7	Low	68	Low	71 Å²	71	49.6 Å²	49.6	38%	0.38	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	5.6	-162.3	-63.1	8.4	0	0	0	113.9	C426 L435 L443	N424-C426 PolarHBondContact O-N 2.94Å; N424-L435 HydrophobicContact CB-CD1 3.34Å; N424-L435 HydrophobicContact CB-CD2 3.68Å; N424-L435 HydrophobicContact CB-CG 4.02Å; N424-L435 WeakPolarHBondContact O-CD1 3.4Å; N424-L435 WeakPolarHBondContact O-CD2 3.43Å; N424-L435 VanDerWaalsContact O-CG 3.28Å; N424-L435 WeakPolarHBondContact O-CG 3.29Å; N424-L443 HydrophobicContact CB-CD1 3.53Å
425	F	50.7	Low	66.9	Low	73 Å²	73	50.8 Å²	50.8	32%	0.32	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	0.4	166	-71.9	-72.7	0	0	0	111.7	T423 P432 T433 V440 T472	T423-F425 VanDerWaalsContact C-N 3.26Å; T423-F425 PolarHBondContact O-N 2.94Å; F425-P432 CarbonylContact O-C 3.58Å; F425-P432 VanDerWaalsContact O-C 3.28Å; F425-P432 WeakPolarHBondContact O-CA 3.41Å; F425-T433 PolarHBondContact O-N 3.43Å; F425-V440 HydrophobicContact CZ-CG2 4.5Å; F425-T472 VanDerWaalsContact CD2-O 3.31Å; F425-T472 WeakPolarHBondContact CD2-O 3.3Å; F425-T472 WeakPolarHBondContact CE2-O 3.28Å
426	C	48.8	Very low	66	Low	49 Å²	49	54.1 Å²	54.1	33%	0.331	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-118.1	137.3	178	-66.4	0	0	0	0	112.3	T423 N424 H431	T423-C426 PolarHBondContact O-N 3.18Å; N424-C426 PolarHBondContact O-N 2.94Å; C426-H431 CarbonylContact C-O 3.28Å; C426-H431 VanDerWaalsContact CA-O 3.25Å; C426-H431 WeakPolarHBondContact CA-O 3.47Å
427	S	51.5	Low	64.9	Low	24 Å²	24	59.1 Å²	59.1	17%	0.168	35%	0.346	C	S	.	.			trans	-63	167.1	166.9	74.7	0	0	0	0	110.1	D429 G430 H431 T433	S427-D429 PolarHBondContact O-N 3.27Å; S427-D429 PolarHBondContact OG-N 2.83Å; S427-G430 PolarHBondContact O-N 3.49Å; S427-H431 PolarHBondContact N-O 3.07Å; S427-H431 PolarHBondContact OG-N 3.23Å; S427-T433 PolarHBondContact N-OG1 3.17Å
428	P	51.6	Low	63.8	Low	126 Å²	126	66.4 Å²	66.4	82%	0.818	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-19.2	172.4	-24.9	34.4	0	0	0	114.2
429	D	48.7	Very low	62.7	Low	138 Å²	138	70.8 Å²	70.8	74%	0.738	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	3.5	178	-53.4	-51.2	0	0	0	113.5	S427	S427-D429 PolarHBondContact O-N 3.27Å; S427-D429 PolarHBondContact OG-N 2.83Å
430	G	51.3	Low	61.8	Low	28 Å²	28	72.7 Å²	72.7	29%	0.289	41%	0.411	S	S	.	.	S	Bend	trans	89.6	11.5	176.3	0	0	0	0	0	116.1	S427	S427-G430 PolarHBondContact O-N 3.49Å
431	H	50.3	Low	61.2	Low	128 Å²	128	79.5 Å²	79.5	59%	0.593	44%	0.443	S	S	*	.			trans	-94.8	140.9	-176.8	-74.2	-52.6	0	0	0	114.4	C426 S427 T433	C426-H431 CarbonylContact C-O 3.28Å; C426-H431 VanDerWaalsContact CA-O 3.25Å; C426-H431 WeakPolarHBondContact CA-O 3.47Å; S427-H431 PolarHBondContact N-O 3.07Å; S427-H431 PolarHBondContact OG-N 3.23Å; H431-T433 PolarHBondContact O-N 3.41Å; H431-T433 VanDerWaalsContact O-N 3.13Å; H431-T433 PolarHBondContact O-OG1 3.26Å
432	P	56.9	Low	61	Low	119 Å²	119	83.6 Å²	83.6	77%	0.773	46%	0.462	S	S	*	.	B	Isolated β-bridge	trans	-56.5	115.5	-177.8	18	-28.3	0	0	0	112.9	F425	F425-P432 CarbonylContact O-C 3.58Å; F425-P432 VanDerWaalsContact O-C 3.28Å; F425-P432 WeakPolarHBondContact O-CA 3.41Å
433	T	60.7	Low	61.3	Low	62 Å²	62	84.2 Å²	84.2	38%	0.38	47%	0.465	S	S	.	.			trans	-114.3	131.1	179.9	-52.3	0	0	0	0	110.3	F425 S427 H431 L435	F425-T433 PolarHBondContact O-N 3.43Å; S427-T433 PolarHBondContact N-OG1 3.17Å; H431-T433 PolarHBondContact O-N 3.41Å; H431-T433 VanDerWaalsContact O-N 3.13Å; H431-T433 PolarHBondContact O-OG1 3.26Å; T433-L435 PolarHBondContact O-N 3.12Å
434	L	58.2	Low	62.3	Low	168 Å²	168	86.1 Å²	86.1	88%	0.88	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-74.8	117.1	175.7	-84.7	153.3	0	0	0	109.9
435	L	62.3	Low	63.7	Low	37 Å²	37	89.1 Å²	89.1	19%	0.194	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-86.6	148.8	176.5	-66	165.3	0	0	0	111.8	N424 T433 V440 L443	N424-L435 HydrophobicContact CB-CD1 3.34Å; N424-L435 HydrophobicContact CB-CD2 3.68Å; N424-L435 HydrophobicContact CB-CG 4.02Å; N424-L435 WeakPolarHBondContact O-CD1 3.4Å; N424-L435 WeakPolarHBondContact O-CD2 3.43Å; N424-L435 VanDerWaalsContact O-CG 3.28Å; N424-L435 WeakPolarHBondContact O-CG 3.29Å; T433-L435 PolarHBondContact O-N 3.12Å; L435-V440 HydrophobicContact CB-CG2 3.69Å; L435-V440 HydrophobicContact CD1-CG2 4.28Å; L435-L443 HydrophobicContact CD1-CD1 3.72Å
436	P	72.5	Confident	65.3	Low	69 Å²	69	89.3 Å²	89.3	45%	0.448	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-55.9	145.5	166.7	-22.1	32.6	0	0	0	111.5	E438 H439 V440	P436-E438 PolarHBondContact O-N 2.94Å; P436-H439 PolarHBondContact O-N 2.88Å; P436-V440 PolarHBondContact O-N 3.29Å; P436-V440 VanDerWaalsContact O-N 3.15Å
437	P	68.6	Low	67	Low	106 Å²	106	87 Å²	87	69%	0.688	47%	0.472	S	S	*	.	H	α-helix	trans	-58.6	-33.1	-175.2	21.3	-32.2	0	0	0	113.7	V440 Q441	P437-V440 PolarHBondContact O-N 2.88Å; P437-Q441 PolarHBondContact O-N 3.11Å; P437-Q441 VanDerWaalsContact O-N 3.08Å
438	E	70.8	Confident	68.6	Low	153 Å²	153	88.9 Å²	88.9	72%	0.715	48%	0.483	S	S	*	.	H	α-helix	trans	-64.6	-41	176.4	-63.8	-179.4	174.9	0	0	112.2	P436 Q441 E442	P436-E438 PolarHBondContact O-N 2.94Å; E438-Q441 PolarHBondContact O-N 2.94Å; E438-E442 PolarHBondContact O-N 3.43Å; E438-E442 VanDerWaalsContact O-N 3.1Å
439	H	70.3	Confident	70.2	Confident	93 Å²	93	84.6 Å²	84.6	43%	0.431	46%	0.462	S	S	.	.	H	α-helix	trans	-70.4	-35	178.3	-70.5	63.4	0	0	0	111.2	P436 Q441 E442 L443	P436-H439 PolarHBondContact O-N 2.88Å; H439-Q441 VanDerWaalsContact C-N 3.33Å; H439-E442 PolarHBondContact O-N 3.03Å; H439-L443 WeakPolarHBondContact O-CB 3.49Å; H439-L443 WeakPolarHBondContact O-CD1 3.34Å; H439-L443 PolarHBondContact O-N 3.49Å
440	V	72	Confident	72.1	Confident	39 Å²	39	78.7 Å²	78.7	24%	0.236	43%	0.43	C	S	.	.	H	α-helix	trans	-63.1	-40.6	173.7	177	0	0	0	0	111.1	F425 L435 P436 P437 N444	F425-V440 HydrophobicContact CZ-CG2 4.5Å; L435-V440 HydrophobicContact CB-CG2 3.69Å; L435-V440 HydrophobicContact CD1-CG2 4.28Å; P436-V440 PolarHBondContact O-N 3.29Å; P436-V440 VanDerWaalsContact O-N 3.15Å; P437-V440 PolarHBondContact O-N 2.88Å; V440-N444 WeakPolarHBondContact O-CB 3.24Å; V440-N444 VanDerWaalsContact O-CG 3.28Å; V440-N444 PolarHBondContact O-N 3.12Å; V440-N444 PolarHBondContact O-ND2 3.18Å; V440-N444 VanDerWaalsContact O-ND2 3.12Å
441	Q	76.3	Confident	73.9	Confident	143 Å²	143	78.1 Å²	78.1	67%	0.668	42%	0.42	S	S	*	.	H	α-helix	trans	-66.4	-44.3	178.2	-173.8	173.4	-2.9	0	0	112	P437 E438 H439 N444 L445	P437-Q441 PolarHBondContact O-N 3.11Å; P437-Q441 VanDerWaalsContact O-N 3.08Å; E438-Q441 PolarHBondContact O-N 2.94Å; H439-Q441 VanDerWaalsContact C-N 3.33Å; Q441-N444 PolarHBondContact O-N 2.79Å; Q441-L445 WeakPolarHBondContact O-CB 3.35Å; Q441-L445 PolarHBondContact O-N 3.4Å
442	E	77.8	Confident	75.7	Confident	99 Å²	99	76.2 Å²	76.2	46%	0.463	41%	0.414	S	S	.	.	H	α-helix	trans	-62.3	-43.5	176.5	-167.1	-171.3	159.5	0	0	111.9	E438 H439 N444 L445 R446	E438-E442 PolarHBondContact O-N 3.43Å; E438-E442 VanDerWaalsContact O-N 3.1Å; H439-E442 PolarHBondContact O-N 3.03Å; E442-N444 PolarHBondContact O-N 2.8Å; E442-L445 PolarHBondContact O-N 3.36Å; E442-R446 WeakPolarHBondContact O-CB 3.38Å; E442-R446 PolarHBondContact O-N 3.1Å; E442-R446 IonicContact OE1-CZ 3.65Å; E442-R446 IonicContact OE1-NH2 3.73Å; E442-R446 PolarHBondContact OE1-NH2 3.47Å
443	L	76	Confident	77.3	Confident	28 Å²	28	71.5 Å²	71.5	15%	0.147	39%	0.386	C	S	.	.	H	α-helix	trans	-60.6	-44.3	175.6	-99	147.1	0	0	0	113.3	P422 N424 L435 H439 L445 R446 S447	P422-L443 HydrophobicContact CB-CD2 3.88Å; N424-L443 HydrophobicContact CB-CD1 3.53Å; L435-L443 HydrophobicContact CD1-CD1 3.72Å; H439-L443 WeakPolarHBondContact O-CB 3.49Å; H439-L443 WeakPolarHBondContact O-CD1 3.34Å; H439-L443 PolarHBondContact O-N 3.49Å; L443-L445 VanDerWaalsContact C-N 3.33Å; L443-R446 PolarHBondContact O-N 2.85Å; L443-S447 VanDerWaalsContact O-CB 3.26Å; L443-S447 WeakPolarHBondContact O-CB 3.5Å; L443-S447 PolarHBondContact O-N 3.45Å; L443-S447 PolarHBondContact O-OG 2.96Å
444	N	80.7	Confident	78.8	Confident	56 Å²	56	68.7 Å²	68.7	30%	0.299	37%	0.368	S	S	.	.	H	α-helix	trans	-62.2	-44.8	176.7	-78.2	-36.3	0	0	0	110.5	V440 Q441 E442 R446 S447 T448 Y470	V440-N444 WeakPolarHBondContact O-CB 3.24Å; V440-N444 VanDerWaalsContact O-CG 3.28Å; V440-N444 PolarHBondContact O-N 3.12Å; V440-N444 PolarHBondContact O-ND2 3.18Å; V440-N444 VanDerWaalsContact O-ND2 3.12Å; Q441-N444 PolarHBondContact O-N 2.79Å; E442-N444 PolarHBondContact O-N 2.8Å; N444-R446 VanDerWaalsContact C-N 3.34Å; N444-R446 PolarHBondContact O-N 3.32Å; N444-S447 PolarHBondContact O-N 2.88Å; N444-T448 VanDerWaalsContact O-CB 3.3Å; N444-T448 WeakPolarHBondContact O-CB 3.48Å; N444-T448 PolarHBondContact O-N 3.1Å; N444-T448 PolarHBondContact O-OG1 3.22Å; N444-Y470 PolarHBondContact OD1-OH 3.44Å
445	L	83	Confident	80.3	Confident	134 Å²	134	65 Å²	65	70%	0.702	35%	0.346	S	S	*	.	H	α-helix	trans	-60.9	-45.1	178.5	-170.3	117.7	0	0	0	111	Q441 E442 L443 G449	Q441-L445 WeakPolarHBondContact O-CB 3.35Å; Q441-L445 PolarHBondContact O-N 3.4Å; E442-L445 PolarHBondContact O-N 3.36Å; L443-L445 VanDerWaalsContact C-N 3.33Å; L445-G449 PolarHBondContact O-N 3.19Å
446	R	83.1	Confident	81.6	Confident	76 Å²	76	69.4 Å²	69.4	29%	0.287	36%	0.36	S	S	.	.	H	α-helix	trans	-68.9	-43.1	179.3	-166	178.6	-61.1	166.6	-0.8	112.9	E442 L443 N444 T448 G449 M450 L588	E442-R446 WeakPolarHBondContact O-CB 3.38Å; E442-R446 PolarHBondContact O-N 3.1Å; E442-R446 IonicContact OE1-CZ 3.65Å; E442-R446 IonicContact OE1-NH2 3.73Å; E442-R446 PolarHBondContact OE1-NH2 3.47Å; L443-R446 PolarHBondContact O-N 2.85Å; N444-R446 VanDerWaalsContact C-N 3.34Å; N444-R446 PolarHBondContact O-N 3.32Å; R446-T448 VanDerWaalsContact C-N 3.3Å; R446-T448 PolarHBondContact O-N 3.45Å; R446-G449 CarbonylContact O-C 3.55Å; R446-G449 WeakPolarHBondContact O-CA 3.36Å; R446-G449 PolarHBondContact O-N 3.03Å; R446-M450 WeakPolarHBondContact O-CG 3.37Å; R446-M450 PolarHBondContact O-N 2.93Å; R446-L588 WeakPolarHBondContact CD-O 3.43Å
447	S	84	Confident	82.4	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.007	34%	0.339	C	S	.	.	H	α-helix	trans	-64	-39	178.2	-56	0	0	0	0	111.9	L443 N444 G449 M450 L451	L443-S447 VanDerWaalsContact O-CB 3.26Å; L443-S447 WeakPolarHBondContact O-CB 3.5Å; L443-S447 PolarHBondContact O-N 3.45Å; L443-S447 PolarHBondContact O-OG 2.96Å; N444-S447 PolarHBondContact O-N 2.88Å; S447-G449 VanDerWaalsContact C-N 3.33Å; S447-M450 PolarHBondContact O-N 3.49Å; S447-L451 WeakPolarHBondContact O-CG 3.27Å; S447-L451 PolarHBondContact O-N 3.22Å
448	T	84.9	Confident	83.5	Confident	64 Å²	64	61.2 Å²	61.2	39%	0.393	31%	0.307	S	S	.	.	H	α-helix	trans	-63.7	-40.1	170.4	-52.3	0	0	0	0	111.1	N444 R446 L451 N452	N444-T448 VanDerWaalsContact O-CB 3.3Å; N444-T448 WeakPolarHBondContact O-CB 3.48Å; N444-T448 PolarHBondContact O-N 3.1Å; N444-T448 PolarHBondContact O-OG1 3.22Å; R446-T448 VanDerWaalsContact C-N 3.3Å; R446-T448 PolarHBondContact O-N 3.45Å; T448-L451 PolarHBondContact O-N 3.2Å; T448-N452 WeakPolarHBondContact O-CB 3.27Å; T448-N452 PolarHBondContact O-N 3.43Å; T448-N452 PolarHBondContact O-ND2 3.49Å
449	G	86.3	Confident	84.2	Confident	36 Å²	36	56.4 Å²	56.4	37%	0.371	29%	0.293	S	S	.	.	H	α-helix	trans	-58.9	-43.8	172.6	0	0	0	0	0	113.6	L445 R446 S447 N452 A453	L445-G449 PolarHBondContact O-N 3.19Å; R446-G449 CarbonylContact O-C 3.55Å; R446-G449 WeakPolarHBondContact O-CA 3.36Å; R446-G449 PolarHBondContact O-N 3.03Å; S447-G449 VanDerWaalsContact C-N 3.33Å; G449-N452 PolarHBondContact O-N 3.32Å; G449-A453 WeakPolarHBondContact O-CB 3.16Å; G449-A453 PolarHBondContact O-N 2.89Å
450	M	88.3	Confident	84.7	Confident	13 Å²	13	53.6 Å²	53.6	6%	0.064	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-45.2	175.6	-68.5	-172.9	-76	0	0	111.8	V420 R446 S447 N452 A453 I454 S506 G589	V420-M450 HydrophobicContact CG1-CE 4.05Å; R446-M450 WeakPolarHBondContact O-CG 3.37Å; R446-M450 PolarHBondContact O-N 2.93Å; S447-M450 PolarHBondContact O-N 3.49Å; M450-N452 VanDerWaalsContact C-N 3.35Å; M450-N452 PolarHBondContact O-N 2.83Å; M450-A453 PolarHBondContact O-N 3.37Å; M450-I454 PolarHBondContact O-N 3.39Å; M450-S506 PolarHBondContact SD-OG 2.83Å; M450-S506 VanDerWaalsContact SD-OG 3.35Å; M450-G589 WeakPolarHBondContact SD-CA 3.32Å
451	L	88.3	Confident	85.1	Confident	16 Å²	16	52.4 Å²	52.4	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-59.9	-45.8	176	-73.7	162.8	0	0	0	111.3	V420 S447 T448 A453 I454 Q455 C468 Y470	V420-L451 HydrophobicContact CB-CD1 4.5Å; V420-L451 HydrophobicContact CB-CD2 3.96Å; V420-L451 HydrophobicContact CB-CG 4.13Å; V420-L451 HydrophobicContact CG2-CD2 3.5Å; V420-L451 VanDerWaalsContact CG2-CD2 3.5Å; V420-L451 HydrophobicContact CG2-CG 3.82Å; S447-L451 WeakPolarHBondContact O-CG 3.27Å; S447-L451 PolarHBondContact O-N 3.22Å; T448-L451 PolarHBondContact O-N 3.2Å; L451-A453 VanDerWaalsContact C-N 3.33Å; L451-A453 PolarHBondContact O-N 2.63Å; L451-I454 PolarHBondContact O-N 3.33Å; L451-Q455 WeakPolarHBondContact O-CB 3.18Å; L451-Q455 VanDerWaalsContact O-CG 3.27Å; L451-Q455 WeakPolarHBondContact O-CG 3.39Å; L451-Q455 PolarHBondContact O-N 3.23Å; L451-C468 HydrophobicContact CD2-CB 3.93Å; L451-Y470 HydrophobicContact CD1-CD2 3.82Å; L451-Y470 HydrophobicContact CD1-CG 3.83Å
452	N	89.6	Confident	85.2	Confident	89 Å²	89	47.4 Å²	47.4	48%	0.476	25%	0.248	S	C	.	.	H	α-helix	trans	-62.6	-39.6	176.8	-72.2	-20.4	0	0	0	111.7	T448 G449 M450 R456	T448-N452 WeakPolarHBondContact O-CB 3.27Å; T448-N452 PolarHBondContact O-N 3.43Å; T448-N452 PolarHBondContact O-ND2 3.49Å; G449-N452 PolarHBondContact O-N 3.32Å; M450-N452 VanDerWaalsContact C-N 3.35Å; M450-N452 PolarHBondContact O-N 2.83Å; N452-R456 VanDerWaalsContact O-CB 3.31Å; N452-R456 WeakPolarHBondContact O-CB 3.3Å; N452-R456 PolarHBondContact O-N 3.44Å
453	A	90.5	Very high	85.6	Confident	20 Å²	20	43.2 Å²	43.2	17%	0.165	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-44.2	176.6	0	0	0	0	0	111.7	G449 M450 L451 R456 F457 T592 V596	G449-A453 WeakPolarHBondContact O-CB 3.16Å; G449-A453 PolarHBondContact O-N 2.89Å; M450-A453 PolarHBondContact O-N 3.37Å; L451-A453 VanDerWaalsContact C-N 3.33Å; L451-A453 PolarHBondContact O-N 2.63Å; A453-R456 WeakPolarHBondContact O-CB 3.39Å; A453-R456 PolarHBondContact O-N 2.95Å; A453-F457 PolarHBondContact O-N 3.04Å; A453-T592 HydrophobicContact CB-CG2 4.32Å; A453-V596 HydrophobicContact CB-CG2 4.32Å; A453-V596 WeakPolarHBondContact O-CG1 3.44Å
454	I	91.6	Very high	86	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-71.2	-37	178	-70.3	-65.7	0	0	0	112.3	A418 M450 L451 R456 F457 F458 Y504 T592 V596	A418-I454 HydrophobicContact CB-CG2 3.72Å; M450-I454 PolarHBondContact O-N 3.39Å; L451-I454 PolarHBondContact O-N 3.33Å; I454-R456 VanDerWaalsContact C-N 3.33Å; I454-R456 PolarHBondContact O-N 2.8Å; I454-F457 WeakPolarHBondContact O-CB 3.22Å; I454-F457 PolarHBondContact O-N 3.39Å; I454-F457 VanDerWaalsContact O-N 3.17Å; I454-F458 HydrophobicContact CG2-CD1 4.45Å; I454-F458 HydrophobicContact CG2-CD2 4.13Å; I454-F458 HydrophobicContact CG2-CE1 4.02Å; I454-F458 HydrophobicContact CG2-CE2 3.67Å; I454-F458 HydrophobicContact CG2-CZ 3.6Å; I454-F458 WeakPolarHBondContact O-CG 3.49Å; I454-F458 PolarHBondContact O-N 3.07Å; I454-Y504 HydrophobicContact CD1-CD1 4.33Å; I454-Y504 HydrophobicContact CD1-CD2 3.47Å; I454-Y504 VanDerWaalsContact CD1-CD2 3.47Å; I454-Y504 HydrophobicContact CD1-CE1 4.39Å; I454-Y504 HydrophobicContact CD1-CE2 3.56Å; I454-Y504 HydrophobicContact CD1-CG 3.87Å; I454-Y504 HydrophobicContact CG1-CD1 3.89Å; I454-Y504 HydrophobicContact CG1-CD2 3.92Å; I454-Y504 HydrophobicContact CG1-CE1 3.75Å; I454-Y504 HydrophobicContact CG1-CE2 3.79Å; I454-Y504 HydrophobicContact CG1-CG 3.96Å; I454-Y504 HydrophobicContact CG2-CD1 4.37Å; I454-Y504 HydrophobicContact CG2-CG 4.39Å; I454-T592 HydrophobicContact CD1-CG2 3.8Å; I454-T592 HydrophobicContact CG1-CG2 3.76Å; I454-V596 HydrophobicContact CD1-CG2 4.16Å
455	Q	90.3	Very high	86.3	Confident	91 Å²	91	47 Å²	47	43%	0.425	25%	0.249	S	C	.	.	H	α-helix	trans	-62.4	-41.5	171.5	-75.2	176.8	-12.9	0	0	111.3	L451 F457 F458 A459 C468	L451-Q455 WeakPolarHBondContact O-CB 3.18Å; L451-Q455 VanDerWaalsContact O-CG 3.27Å; L451-Q455 WeakPolarHBondContact O-CG 3.39Å; L451-Q455 PolarHBondContact O-N 3.23Å; Q455-F457 VanDerWaalsContact C-N 3.32Å; Q455-F457 PolarHBondContact O-N 2.76Å; Q455-F458 PolarHBondContact O-N 3.2Å; Q455-A459 WeakPolarHBondContact O-CB 3.36Å; Q455-A459 PolarHBondContact O-N 3.32Å; Q455-C468 HydrophobicContact CG-CB 4.49Å
456	R	89.6	Confident	86.6	Confident	130 Å²	130	44 Å²	44	49%	0.491	23%	0.229	S	C	.	.	H	α-helix	trans	-60.7	-41.5	171.7	176.2	176.8	167.2	-169.7	-11.9	111.3	N452 A453 I454 A459 Y460 E597	N452-R456 VanDerWaalsContact O-CB 3.31Å; N452-R456 WeakPolarHBondContact O-CB 3.3Å; N452-R456 PolarHBondContact O-N 3.44Å; A453-R456 WeakPolarHBondContact O-CB 3.39Å; A453-R456 PolarHBondContact O-N 2.95Å; I454-R456 VanDerWaalsContact C-N 3.33Å; I454-R456 PolarHBondContact O-N 2.8Å; R456-A459 PolarHBondContact O-N 3.43Å; R456-Y460 WeakPolarHBondContact O-CB 3.31Å; R456-Y460 PolarHBondContact O-N 3.26Å; R456-E597 IonicContact NH2-OE2 3.81Å
457	F	89.6	Confident	86.8	Confident	1 Å²	1	41.3 Å²	41.3	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-47.4	175.4	173.7	-96.3	0	0	0	112.1	A453 I454 Q455 A459 Y460 H461 I463 I502 W595 V596 N599 F695	A453-F457 PolarHBondContact O-N 3.04Å; I454-F457 WeakPolarHBondContact O-CB 3.22Å; I454-F457 PolarHBondContact O-N 3.39Å; I454-F457 VanDerWaalsContact O-N 3.17Å; Q455-F457 VanDerWaalsContact C-N 3.32Å; Q455-F457 PolarHBondContact O-N 2.76Å; F457-A459 PolarHBondContact O-N 3.37Å; F457-Y460 PolarHBondContact O-N 3.17Å; F457-H461 AromaticContact CD2-CD2 3.39Å; F457-H461 WeakPolarHBondContact CD2-CD2 3.47Å; F457-H461 AromaticContact CD2-NE2 3.7Å; F457-H461 AromaticContact CE2-CD2 3.2Å; F457-H461 WeakPolarHBondContact CE2-CD2 3.46Å; F457-H461 AromaticContact CE2-NE2 3.4Å; F457-H461 WeakPolarHBondContact CE2-NE2 3.41Å; F457-H461 AromaticContact CZ-CD2 3.74Å; F457-H461 PolarHBondContact O-CD2 3.41Å; F457-H461 PolarHBondContact O-N 2.97Å; F457-I463 HydrophobicContact CD1-CD1 4.11Å; F457-I463 HydrophobicContact CE1-CD1 3.54Å; F457-I463 HydrophobicContact CZ-CD1 4.14Å; F457-I502 HydrophobicContact CE1-CD1 4.42Å; F457-W595 HydrophobicContact CD1-CH2 4.39Å; F457-W595 HydrophobicContact CD1-CZ3 4.08Å; F457-W595 HydrophobicContact CD2-CH2 4.19Å; F457-W595 AromaticContact CD2-CZ3 3.81Å; F457-W595 HydrophobicContact CD2-CZ3 3.81Å; F457-W595 AromaticContact CE1-CH2 3.75Å; F457-W595 HydrophobicContact CE1-CH2 3.75Å; F457-W595 AromaticContact CE1-CZ3 3.91Å; F457-W595 HydrophobicContact CE1-CZ3 3.91Å; F457-W595 HydrophobicContact CE2-CE3 4.48Å; F457-W595 AromaticContact CE2-CH2 3.49Å; F457-W595 HydrophobicContact CE2-CH2 3.49Å; F457-W595 VanDerWaalsContact CE2-CH2 3.49Å; F457-W595 HydrophobicContact CE2-CZ2 4.27Å; F457-W595 AromaticContact CE2-CZ3 3.61Å; F457-W595 HydrophobicContact CE2-CZ3 3.61Å; F457-W595 HydrophobicContact CG-CZ3 4.06Å; F457-W595 AromaticContact CZ-CH2 3.26Å; F457-W595 HydrophobicContact CZ-CH2 3.26Å; F457-W595 HydrophobicContact CZ-CZ2 4.2Å; F457-W595 AromaticContact CZ-CZ3 3.69Å; F457-W595 HydrophobicContact CZ-CZ3 3.69Å; F457-V596 HydrophobicContact CB-CG1 4.12Å; F457-V596 HydrophobicContact CB-CG2 3.91Å; F457-V596 HydrophobicContact CG-CG2 4.42Å; F457-N599 HydrophobicContact CD2-CB 4.31Å; F457-N599 HydrophobicContact CE2-CB 3.97Å; F457-F695 HydrophobicContact CE2-CB 3.93Å; F457-F695 HydrophobicContact CE2-CD2 4.48Å; F457-F695 HydrophobicContact CE2-CG 4.14Å; F457-F695 HydrophobicContact CZ-CB 4.02Å; F457-F695 AromaticContact CZ-CD1 3.96Å; F457-F695 HydrophobicContact CZ-CD1 3.96Å; F457-F695 AromaticContact CZ-CD2 3.9Å; F457-F695 HydrophobicContact CZ-CD2 3.9Å; F457-F695 HydrophobicContact CZ-CE1 4.39Å; F457-F695 HydrophobicContact CZ-CE2 4.34Å; F457-F695 AromaticContact CZ-CG 3.71Å; F457-F695 HydrophobicContact CZ-CG 3.71Å
458	F	90.3	Very high	87	Confident	1 Å²	1	42.7 Å²	42.7	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-43.6	176.5	-67.6	-16.7	0	0	0	111.8	A418 I454 Q455 M462 I463 T465 I502	A418-F458 HydrophobicContact CB-CE2 4.08Å; A418-F458 HydrophobicContact CB-CZ 4.32Å; I454-F458 HydrophobicContact CG2-CD1 4.45Å; I454-F458 HydrophobicContact CG2-CD2 4.13Å; I454-F458 HydrophobicContact CG2-CE1 4.02Å; I454-F458 HydrophobicContact CG2-CE2 3.67Å; I454-F458 HydrophobicContact CG2-CZ 3.6Å; I454-F458 WeakPolarHBondContact O-CG 3.49Å; I454-F458 PolarHBondContact O-N 3.07Å; Q455-F458 PolarHBondContact O-N 3.2Å; F458-M462 PolarHBondContact O-N 3.14Å; F458-I463 HydrophobicContact CB-CB 4.16Å; F458-I463 HydrophobicContact CD1-CB 4.11Å; F458-I463 HydrophobicContact CD1-CD1 3.81Å; F458-I463 HydrophobicContact CD1-CG2 4Å; F458-I463 HydrophobicContact CE1-CD1 4.47Å; F458-I463 HydrophobicContact CE1-CG2 4.48Å; F458-I463 HydrophobicContact CG-CB 4.37Å; F458-I463 HydrophobicContact CG-CG2 4.35Å; F458-I463 PolarHBondContact O-N 3.5Å; F458-T465 HydrophobicContact CD2-CG2 4.05Å; F458-T465 HydrophobicContact CE2-CG2 4.49Å; F458-I502 HydrophobicContact CE1-CG2 4.31Å
459	A	85.3	Confident	87.1	Confident	52 Å²	52	41.3 Å²	41.3	43%	0.43	22%	0.224	S	C	.	.	H	α-helix	trans	-62.9	-49.1	176.6	0	0	0	0	0	112.2	Q455 R456 F457 H461 M462	Q455-A459 WeakPolarHBondContact O-CB 3.36Å; Q455-A459 PolarHBondContact O-N 3.32Å; R456-A459 PolarHBondContact O-N 3.43Å; F457-A459 PolarHBondContact O-N 3.37Å; A459-H461 VanDerWaalsContact C-N 3.31Å; A459-H461 PolarHBondContact O-N 3.19Å; A459-M462 PolarHBondContact O-N 3.12Å
460	Y	81.9	Confident	87	Confident	35 Å²	35	43.3 Å²	43.3	14%	0.137	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-36.4	-177.7	-175.9	-92.4	0	0	0	113	N341 R456 F457 C600	N341-Y460 PolarHBondContact OD1-O 3.09Å; R456-Y460 WeakPolarHBondContact O-CB 3.31Å; R456-Y460 PolarHBondContact O-N 3.26Å; F457-Y460 PolarHBondContact O-N 3.17Å; Y460-C600 HydrophobicContact CD1-CB 3.98Å; Y460-C600 HydrophobicContact CD2-CB 4.31Å; Y460-C600 HydrophobicContact CE1-CB 4.32Å; Y460-C600 WeakPolarHBondContact CE2-O 3.24Å; Y460-C600 HydrophobicContact CG-CB 3.98Å; Y460-C600 PolarHBondContact OH-O 2.83Å
461	H	79.7	Confident	86.6	Confident	13 Å²	13	43.7 Å²	43.7	6%	0.06	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	6.7	176.5	-66.3	-70.3	0	0	0	113.7	F457 A459 I463 N599 G694	F457-H461 AromaticContact CD2-CD2 3.39Å; F457-H461 WeakPolarHBondContact CD2-CD2 3.47Å; F457-H461 AromaticContact CD2-NE2 3.7Å; F457-H461 AromaticContact CE2-CD2 3.2Å; F457-H461 WeakPolarHBondContact CE2-CD2 3.46Å; F457-H461 AromaticContact CE2-NE2 3.4Å; F457-H461 WeakPolarHBondContact CE2-NE2 3.41Å; F457-H461 AromaticContact CZ-CD2 3.74Å; F457-H461 PolarHBondContact O-CD2 3.41Å; F457-H461 PolarHBondContact O-N 2.97Å; A459-H461 VanDerWaalsContact C-N 3.31Å; A459-H461 PolarHBondContact O-N 3.19Å; H461-I463 HydrophobicContact CB-CD1 3.72Å; H461-I463 HydrophobicContact CB-CG1 3.88Å; H461-I463 PolarHBondContact O-N 3.01Å; H461-N599 PolarHBondContact CE1-O 2.96Å; H461-N599 PolarHBondContact NE2-O 3.06Å; H461-G694 PolarHBondContact CE1-O 3.4Å; H461-G694 PolarHBondContact ND1-O 2.82Å
462	M	78.8	Confident	85.8	Confident	39 Å²	39	45.9 Å²	45.9	19%	0.192	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	37.6	-179.1	-64.8	-85.2	173.2	0	0	112.9	H336 N341 F458 A459	H336-M462 HydrophobicContact CB-CE 4.42Å; N341-M462 HydrophobicContact CB-CE 4.29Å; N341-M462 WeakPolarHBondContact ND2-CE 3.39Å; F458-M462 PolarHBondContact O-N 3.14Å; A459-M462 PolarHBondContact O-N 3.12Å
463	I	85.1	Confident	84.7	Confident	10 Å²	10	46.5 Å²	46.5	5%	0.051	25%	0.25	C	S	.	.			trans	-79.7	128.3	177.3	-62.8	162.1	0	0	0	108.4	C414 G416 F457 F458 H461 T465 I502 F695	C414-I463 HydrophobicContact CB-CG1 4.15Å; C414-I463 HydrophobicContact CB-CG2 4.38Å; G416-I463 VanDerWaalsContact N-CG2 3.27Å; F457-I463 HydrophobicContact CD1-CD1 4.11Å; F457-I463 HydrophobicContact CE1-CD1 3.54Å; F457-I463 HydrophobicContact CZ-CD1 4.14Å; F458-I463 HydrophobicContact CB-CB 4.16Å; F458-I463 HydrophobicContact CD1-CB 4.11Å; F458-I463 HydrophobicContact CD1-CD1 3.81Å; F458-I463 HydrophobicContact CD1-CG2 4Å; F458-I463 HydrophobicContact CE1-CD1 4.47Å; F458-I463 HydrophobicContact CE1-CG2 4.48Å; F458-I463 HydrophobicContact CG-CB 4.37Å; F458-I463 HydrophobicContact CG-CG2 4.35Å; F458-I463 PolarHBondContact O-N 3.5Å; H461-I463 HydrophobicContact CB-CD1 3.72Å; H461-I463 HydrophobicContact CB-CG1 3.88Å; H461-I463 PolarHBondContact O-N 3.01Å; I463-T465 PolarHBondContact O-N 3.03Å; I463-I502 HydrophobicContact CD1-CD1 3.61Å; I463-I502 HydrophobicContact CG1-CD1 4.36Å; I463-F695 HydrophobicContact CD1-CE1 4.41Å
464	E	85.2	Confident	83.8	Confident	94 Å²	94	46.4 Å²	46.4	44%	0.439	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	121.2	175.3	-174.4	170.4	161.5	0	0	109.4	C414 V415 G416 Y466 H498	C414-E464 PolarHBondContact O-N 3.29Å; V415-E464 CarbonylContact C-O 3.48Å; V415-E464 VanDerWaalsContact CA-O 3.22Å; V415-E464 WeakPolarHBondContact CA-O 3.17Å; V415-E464 HydrophobicContact CB-CB 4.45Å; V415-E464 HydrophobicContact CG2-CB 4.39Å; V415-E464 VanDerWaalsContact CG2-O 3.25Å; V415-E464 WeakPolarHBondContact CG2-O 3.47Å; G416-E464 PolarHBondContact N-O 2.97Å; E464-Y466 PolarHBondContact O-N 2.68Å; E464-H498 IonicContact OE2-CE1 3.8Å; E464-H498 PolarHBondContact OE2-CE1 3.32Å; E464-H498 IonicContact OE2-NE2 2.72Å
465	T	87.9	Confident	83.2	Confident	70 Å²	70	47.2 Å²	47.2	43%	0.429	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	112.8	-177.1	-56.8	0	0	0	0	109.2	F458 I463	F458-T465 HydrophobicContact CD2-CG2 4.05Å; F458-T465 HydrophobicContact CE2-CG2 4.49Å; I463-T465 PolarHBondContact O-N 3.03Å
466	Y	89.1	Confident	82.9	Confident	71 Å²	71	45.2 Å²	45.2	28%	0.278	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	-42.7	169.7	173.9	-96.5	0	0	0	110.6	G416 Y417 E464 K483 S486 F487 L490	G416-Y466 PolarHBondContact O-N 2.83Å; Y417-Y466 AromaticContact CD2-CD1 3.56Å; Y417-Y466 HydrophobicContact CD2-CD1 3.56Å; Y417-Y466 HydrophobicContact CD2-CE1 4.17Å; Y417-Y466 HydrophobicContact CE2-CD1 4.06Å; Y417-Y466 HydrophobicContact CE2-CE1 4.24Å; Y417-Y466 AromaticContact CG-CD1 3.92Å; Y417-Y466 HydrophobicContact CG-CD1 3.92Å; E464-Y466 PolarHBondContact O-N 2.68Å; Y466-K483 PolarHBondContact OH-O 2.83Å; Y466-S486 WeakPolarHBondContact OH-CB 3.43Å; Y466-S486 PolarHBondContact OH-OG 3.3Å; Y466-F487 HydrophobicContact CD1-CB 3.88Å; Y466-F487 HydrophobicContact CD1-CD2 4.2Å; Y466-F487 HydrophobicContact CD1-CG 4.43Å; Y466-F487 HydrophobicContact CD2-CB 4.28Å; Y466-F487 HydrophobicContact CD2-CD2 4.41Å; Y466-F487 HydrophobicContact CE1-CB 3.93Å; Y466-F487 HydrophobicContact CE2-CB 4.31Å; Y466-F487 HydrophobicContact CG-CB 4.06Å; Y466-F487 AromaticContact CG-CD2 3.85Å; Y466-F487 HydrophobicContact CG-CD2 3.85Å; Y466-F487 HydrophobicContact CG-CG 4.42Å; Y466-L490 HydrophobicContact CD2-CD1 4.39Å; Y466-L490 HydrophobicContact CD2-CD2 4.38Å
467	G	87.7	Confident	82.7	Confident	19 Å²	19	41.7 Å²	41.7	20%	0.196	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	162.4	176.1	0	0	0	0	0	112.3	Y417 A418	Y417-G467 VanDerWaalsContact CD2-O 3.31Å; Y417-G467 WeakPolarHBondContact CD2-O 3.47Å; A418-G467 PolarHBondContact N-O 2.82Å
468	C	87.3	Confident	82.5	Confident	31 Å²	31	47.3 Å²	47.3	21%	0.209	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	101.6	167.7	-60.5	0	0	0	0	107.5	A418 L451 Q455	A418-C468 HydrophobicContact CB-CB 4.2Å; A418-C468 CarbonylContact O-C 3.6Å; A418-C468 WeakPolarHBondContact O-CA 3.33Å; L451-C468 HydrophobicContact CD2-CB 3.93Å; Q455-C468 HydrophobicContact CG-CB 4.49Å
469	D	86.8	Confident	82.3	Confident	35 Å²	35	50.1 Å²	50.1	19%	0.187	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	134.5	-178.7	-76.6	-35.8	0	0	0	111.2	Y417 A418 V420 K483	Y417-D469 HydrophobicContact CE2-CB 4.42Å; Y417-D469 WeakPolarHBondContact CE2-OD2 3.48Å; Y417-D469 PolarHBondContact OH-OD2 3.46Å; A418-D469 PolarHBondContact O-N 2.91Å; V420-D469 PolarHBondContact N-O 2.7Å; D469-K483 IonicContact OD1-NZ 2.65Å; D469-K483 PolarHBondContact OD1-NZ 2.89Å; D469-K483 WeakPolarHBondContact OD2-CD 3.27Å; D469-K483 WeakPolarHBondContact OD2-CE 3.34Å; D469-K483 IonicContact OD2-NZ 3.75Å; D469-K483 PolarHBondContact OD2-NZ 2.95Å
470	Y	83.8	Confident	82.4	Confident	78 Å²	78	47.7 Å²	47.7	31%	0.306	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	124.3	172.9	-178.6	-120.7	0	0	0	109	V420 P422 N444 L451 T472	V420-Y470 HydrophobicContact CB-CD2 4.36Å; V420-Y470 HydrophobicContact CG1-CD2 4.21Å; P422-Y470 HydrophobicContact CG-CE2 3.85Å; N444-Y470 PolarHBondContact OD1-OH 3.44Å; L451-Y470 HydrophobicContact CD1-CD2 3.82Å; L451-Y470 HydrophobicContact CD1-CG 3.83Å; Y470-T472 HydrophobicContact CE1-CG2 3.55Å; Y470-T472 VanDerWaalsContact OH-CG2 3.32Å; Y470-T472 WeakPolarHBondContact OH-CG2 3.49Å
471	S	80.4	Confident	82.8	Confident	21 Å²	21	48.5 Å²	48.5	15%	0.147	27%	0.272	C	S	.	.			trans	-136.1	110.7	175.1	-172.2	0	0	0	0	112	V420 P422 S473 G474	V420-S471 PolarHBondContact O-N 3.33Å; P422-S471 WeakPolarHBondContact CD-O 3.44Å; S471-S473 VanDerWaalsContact C-N 3.32Å; S471-S473 PolarHBondContact O-N 3.01Å; S471-G474 PolarHBondContact O-N 3.16Å; S471-G474 PolarHBondContact OG-N 3.38Å; S471-G474 PolarHBondContact OG-O 2.96Å
472	T	71	Confident	83.2	Confident	61 Å²	61	51.6 Å²	51.6	37%	0.374	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-29.6	176.4	48.5	0	0	0	0	113.1	P422 F425 Y470	P422-T472 HydrophobicContact CG-CG2 4.45Å; F425-T472 VanDerWaalsContact CD2-O 3.31Å; F425-T472 WeakPolarHBondContact CD2-O 3.3Å; F425-T472 WeakPolarHBondContact CE2-O 3.28Å; Y470-T472 HydrophobicContact CE1-CG2 3.55Å; Y470-T472 VanDerWaalsContact OH-CG2 3.32Å; Y470-T472 WeakPolarHBondContact OH-CG2 3.49Å
473	S	66.1	Low	83.8	Confident	103 Å²	103	52.7 Å²	52.7	72%	0.72	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	6.7	-179.4	58.9	0	0	0	0	113.9	S471	S471-S473 VanDerWaalsContact C-N 3.32Å; S471-S473 PolarHBondContact O-N 3.01Å
474	G	71.8	Confident	84.1	Confident	18 Å²	18	52.2 Å²	52.2	19%	0.186	30%	0.296	C	S	.	.			trans	80.2	169.2	-170.3	0	0	0	0	0	113.5	S471	S471-G474 PolarHBondContact O-N 3.16Å; S471-G474 PolarHBondContact OG-N 3.38Å; S471-G474 PolarHBondContact OG-O 2.96Å
475	L	80.1	Confident	84.4	Confident	19 Å²	19	49.8 Å²	49.8	10%	0.099	28%	0.284	C	S	.	.			trans	-113.6	135.8	176.4	-78	163.2	0	0	0	108.9	V419 I421 T479 L480 L517 A518	V419-L475 HydrophobicContact CG1-CD1 3.74Å; I421-L475 HydrophobicContact CD1-CB 4.16Å; I421-L475 HydrophobicContact CD1-CD1 3.99Å; I421-L475 HydrophobicContact CD1-CG 4.36Å; I421-L475 HydrophobicContact CG1-CD1 4.18Å; L475-T479 HydrophobicContact CD2-CG2 4.24Å; L475-L480 HydrophobicContact CD1-CD1 4.48Å; L475-L517 WeakPolarHBondContact O-CB 3.36Å; L475-A518 PolarHBondContact O-N 3.33Å
476	S	83.7	Confident	84.4	Confident	49 Å²	49	49 Å²	49	34%	0.343	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-72.9	152.6	172.3	63.9	0	0	0	0	111	D478 T479 L480	S476-D478 VanDerWaalsContact C-N 3.33Å; S476-D478 PolarHBondContact O-N 3.48Å; S476-T479 PolarHBondContact O-N 3.09Å; S476-T479 PolarHBondContact OG-OG1 3.21Å; S476-L480 PolarHBondContact O-N 3.39Å
477	F	84.9	Confident	84.6	Confident	55 Å²	55	45.6 Å²	45.6	24%	0.241	27%	0.268	C	S	.	.	H	α-helix	trans	-54.7	-47	178.7	-176.8	-91.7	0	0	0	112.3	T479 L480 H481 L517 D521 L523 T527 W531	F477-T479 VanDerWaalsContact C-N 3.32Å; F477-T479 PolarHBondContact O-N 3.11Å; F477-L480 PolarHBondContact O-N 3.43Å; F477-H481 HydrophobicContact CD1-CB 4.47Å; F477-H481 HydrophobicContact CE1-CB 4.34Å; F477-H481 WeakPolarHBondContact O-CB 3.16Å; F477-H481 PolarHBondContact O-N 3.27Å; F477-L517 HydrophobicContact CB-CD1 4.06Å; F477-L517 HydrophobicContact CD2-CD1 3.77Å; F477-L517 HydrophobicContact CG-CD1 4.39Å; F477-D521 HydrophobicContact CB-CB 4.12Å; F477-L523 HydrophobicContact CE2-CD1 4.09Å; F477-T527 HydrophobicContact CZ-CG2 4.46Å; F477-W531 HydrophobicContact CE1-CZ2 4.3Å; F477-W531 HydrophobicContact CE2-CH2 4.12Å; F477-W531 HydrophobicContact CE2-CZ2 4.23Å; F477-W531 AromaticContact CZ-CH2 3.96Å; F477-W531 HydrophobicContact CZ-CH2 3.96Å; F477-W531 AromaticContact CZ-CZ2 3.64Å; F477-W531 HydrophobicContact CZ-CZ2 3.64Å
478	D	85.5	Confident	84.6	Confident	120 Å²	120	44.7 Å²	44.7	64%	0.642	26%	0.259	S	S	*	.	H	α-helix	trans	-60.8	-39.7	-179.3	-68	-34.7	0	0	0	113.1	S476 S482	S476-D478 VanDerWaalsContact C-N 3.33Å; S476-D478 PolarHBondContact O-N 3.48Å; D478-S482 WeakPolarHBondContact O-CB 3.43Å; D478-S482 PolarHBondContact O-N 2.97Å
479	T	85.7	Confident	84.6	Confident	59 Å²	59	47.5 Å²	47.5	36%	0.362	27%	0.269	S	S	.	.	H	α-helix	trans	-68.9	-45.2	179.9	-56.5	0	0	0	0	110.5	L475 S476 F477 K483	L475-T479 HydrophobicContact CD2-CG2 4.24Å; S476-T479 PolarHBondContact O-N 3.09Å; S476-T479 PolarHBondContact OG-OG1 3.21Å; F477-T479 VanDerWaalsContact C-N 3.32Å; F477-T479 PolarHBondContact O-N 3.11Å; T479-K483 WeakPolarHBondContact O-CG 3.36Å; T479-K483 PolarHBondContact O-N 3.38Å; T479-K483 VanDerWaalsContact O-N 3.11Å
480	L	87.3	Confident	84.5	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-65.4	-43.3	177.8	-174.9	64.1	0	0	0	111.2	V419 L475 S476 F477 K483 I484 W515 L517 L523	V419-L480 HydrophobicContact CG1-CD1 4.42Å; V419-L480 HydrophobicContact CG2-CD1 4.26Å; L475-L480 HydrophobicContact CD1-CD1 4.48Å; S476-L480 PolarHBondContact O-N 3.39Å; F477-L480 PolarHBondContact O-N 3.43Å; L480-K483 PolarHBondContact O-N 3.33Å; L480-I484 HydrophobicContact CD1-CD1 3.74Å; L480-I484 HydrophobicContact CD1-CG1 4.05Å; L480-I484 HydrophobicContact CD2-CD1 4.29Å; L480-I484 HydrophobicContact CG-CD1 3.69Å; L480-I484 HydrophobicContact CG-CG1 4.28Å; L480-I484 WeakPolarHBondContact O-CB 3.27Å; L480-I484 VanDerWaalsContact O-CG1 3.31Å; L480-I484 WeakPolarHBondContact O-CG1 3.47Å; L480-I484 PolarHBondContact O-N 3.39Å; L480-W515 HydrophobicContact CD2-CE3 4.31Å; L480-L517 HydrophobicContact CD2-CD1 4.11Å; L480-L517 HydrophobicContact CD2-CD2 3.59Å; L480-L523 HydrophobicContact CD2-CD2 4.12Å
481	H	90.2	Very high	84.4	Confident	52 Å²	52	50.5 Å²	50.5	24%	0.241	28%	0.28	C	S	.	.	H	α-helix	trans	-58.3	-48.7	176.8	171.4	-127	0	0	0	111.7	F477 K485 W531	F477-H481 HydrophobicContact CD1-CB 4.47Å; F477-H481 HydrophobicContact CE1-CB 4.34Å; F477-H481 WeakPolarHBondContact O-CB 3.16Å; F477-H481 PolarHBondContact O-N 3.27Å; H481-K485 VanDerWaalsContact NE2-CD 3.3Å; H481-K485 WeakPolarHBondContact NE2-CD 3.35Å; H481-K485 WeakPolarHBondContact NE2-CE 2.98Å; H481-K485 PolarHBondContact NE2-NZ 3.18Å; H481-K485 WeakPolarHBondContact O-CB 3.46Å; H481-K485 WeakPolarHBondContact O-CG 3.5Å; H481-K485 PolarHBondContact O-N 3.16Å; H481-W531 HydrophobicContact CB-CH2 3.88Å; H481-W531 HydrophobicContact CB-CZ2 4.1Å; H481-W531 AromaticContact CD2-CD2 3.91Å; H481-W531 AromaticContact CD2-CE2 3.32Å; H481-W531 AromaticContact CD2-CH2 3.72Å; H481-W531 AromaticContact CD2-CZ2 3.21Å; H481-W531 WeakPolarHBondContact CD2-CZ2 3.27Å; H481-W531 AromaticContact CD2-NE1 3.73Å; H481-W531 AromaticContact CG-CZ2 3.88Å; H481-W531 AromaticContact NE2-CE2 3.9Å; H481-W531 AromaticContact NE2-NE1 3.8Å
482	S	89.2	Confident	84.1	Confident	79 Å²	79	50.4 Å²	50.4	55%	0.552	28%	0.279	S	S	*	.	H	α-helix	trans	-61.3	-46.7	178	-177.1	0	0	0	0	112.2	D478 K485 S486	D478-S482 WeakPolarHBondContact O-CB 3.43Å; D478-S482 PolarHBondContact O-N 2.97Å; S482-K485 PolarHBondContact O-N 3.33Å; S482-S486 WeakPolarHBondContact O-CB 3.2Å; S482-S486 PolarHBondContact O-N 3.44Å
483	K	90.9	Very high	83.8	Confident	61 Å²	61	52.9 Å²	52.9	27%	0.265	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-44.9	179.4	-73.9	-171.3	174	-175.1	0	112.7	Y417 Y466 D469 T479 L480 S486 F487	Y417-K483 WeakPolarHBondContact OH-CD 3.4Å; Y466-K483 PolarHBondContact OH-O 2.83Å; D469-K483 IonicContact OD1-NZ 2.65Å; D469-K483 PolarHBondContact OD1-NZ 2.89Å; D469-K483 WeakPolarHBondContact OD2-CD 3.27Å; D469-K483 WeakPolarHBondContact OD2-CE 3.34Å; D469-K483 IonicContact OD2-NZ 3.75Å; D469-K483 PolarHBondContact OD2-NZ 2.95Å; T479-K483 WeakPolarHBondContact O-CG 3.36Å; T479-K483 PolarHBondContact O-N 3.38Å; T479-K483 VanDerWaalsContact O-N 3.11Å; L480-K483 PolarHBondContact O-N 3.33Å; K483-S486 PolarHBondContact O-N 2.95Å; K483-F487 WeakPolarHBondContact O-CB 3.43Å; K483-F487 PolarHBondContact O-N 2.93Å
484	I	91.3	Very high	83.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-45.6	176.4	-69.8	178	0	0	0	109.8	Y417 L480 S486 F487 L488 L523 L528 W531	Y417-I484 HydrophobicContact CD1-CG1 4.46Å; Y417-I484 HydrophobicContact CE1-CG1 4.02Å; L480-I484 HydrophobicContact CD1-CD1 3.74Å; L480-I484 HydrophobicContact CD1-CG1 4.05Å; L480-I484 HydrophobicContact CD2-CD1 4.29Å; L480-I484 HydrophobicContact CG-CD1 3.69Å; L480-I484 HydrophobicContact CG-CG1 4.28Å; L480-I484 WeakPolarHBondContact O-CB 3.27Å; L480-I484 VanDerWaalsContact O-CG1 3.31Å; L480-I484 WeakPolarHBondContact O-CG1 3.47Å; L480-I484 PolarHBondContact O-N 3.39Å; I484-S486 VanDerWaalsContact C-N 3.33Å; I484-S486 PolarHBondContact O-N 2.95Å; I484-F487 WeakPolarHBondContact O-CB 3.25Å; I484-F487 PolarHBondContact O-N 2.86Å; I484-L488 HydrophobicContact CG2-CD1 3.92Å; I484-L488 HydrophobicContact CG2-CG 4.07Å; I484-L488 WeakPolarHBondContact O-CB 3.31Å; I484-L488 VanDerWaalsContact O-CG 3.22Å; I484-L488 WeakPolarHBondContact O-CG 3.27Å; I484-L488 PolarHBondContact O-N 2.72Å; I484-L523 HydrophobicContact CD1-CD2 4.35Å; I484-L528 HydrophobicContact CD1-CD1 4.35Å; I484-L528 HydrophobicContact CG2-CD1 3.81Å; I484-W531 HydrophobicContact CB-CE3 4.41Å; I484-W531 HydrophobicContact CB-CZ3 4.39Å; I484-W531 HydrophobicContact CD1-CZ3 4.17Å; I484-W531 HydrophobicContact CG2-CE3 3.89Å; I484-W531 HydrophobicContact CG2-CZ3 4.29Å
485	K	90.6	Very high	83	Confident	43 Å²	43	50.6 Å²	50.6	19%	0.187	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-42.9	176.7	-80.7	-163.7	167.5	-173.9	0	112.4	H481 S482 L488 E489 E534	H481-K485 VanDerWaalsContact NE2-CD 3.3Å; H481-K485 WeakPolarHBondContact NE2-CD 3.35Å; H481-K485 WeakPolarHBondContact NE2-CE 2.98Å; H481-K485 PolarHBondContact NE2-NZ 3.18Å; H481-K485 WeakPolarHBondContact O-CB 3.46Å; H481-K485 WeakPolarHBondContact O-CG 3.5Å; H481-K485 PolarHBondContact O-N 3.16Å; S482-K485 PolarHBondContact O-N 3.33Å; K485-L488 PolarHBondContact O-N 2.83Å; K485-E489 WeakPolarHBondContact O-CB 3.49Å; K485-E489 WeakPolarHBondContact O-CG 3.39Å; K485-E489 PolarHBondContact O-N 3.16Å; K485-E534 WeakPolarHBondContact CE-OE2 3.43Å; K485-E534 IonicContact NZ-OE1 2.82Å; K485-E534 PolarHBondContact NZ-OE1 3.01Å; K485-E534 IonicContact NZ-OE2 2.73Å; K485-E534 PolarHBondContact NZ-OE2 3.25Å
486	S	89.6	Confident	82.6	Confident	53 Å²	53	50.4 Å²	50.4	37%	0.371	28%	0.284	S	S	.	.	H	α-helix	trans	-63.6	-42.4	175.4	173.9	0	0	0	0	112.5	Y466 S482 K483 I484 E489 L490	Y466-S486 WeakPolarHBondContact OH-CB 3.43Å; Y466-S486 PolarHBondContact OH-OG 3.3Å; S482-S486 WeakPolarHBondContact O-CB 3.2Å; S482-S486 PolarHBondContact O-N 3.44Å; K483-S486 PolarHBondContact O-N 2.95Å; I484-S486 VanDerWaalsContact C-N 3.33Å; I484-S486 PolarHBondContact O-N 2.95Å; S486-E489 CarbonylContact O-C 3.58Å; S486-E489 WeakPolarHBondContact O-CA 3.33Å; S486-E489 WeakPolarHBondContact O-CB 3.35Å; S486-E489 PolarHBondContact O-N 3.04Å; S486-L490 PolarHBondContact O-N 2.8Å
487	F	91.6	Very high	82.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-49.1	173.7	164	-112.7	0	0	0	111.7	V415 Y417 Y466 K483 I484 E489 L490 Y501 I502	V415-F487 HydrophobicContact CB-CE2 4.3Å; V415-F487 HydrophobicContact CG1-CE2 3.75Å; V415-F487 HydrophobicContact CG1-CZ 4.28Å; V415-F487 HydrophobicContact CG2-CD2 4.24Å; V415-F487 HydrophobicContact CG2-CE2 3.81Å; Y417-F487 HydrophobicContact CD1-CB 4.49Å; Y417-F487 HydrophobicContact CD1-CD1 4.42Å; Y417-F487 HydrophobicContact CD1-CG 4.39Å; Y417-F487 HydrophobicContact CG-CD2 4.5Å; Y417-F487 HydrophobicContact CG-CG 4.37Å; Y466-F487 HydrophobicContact CD1-CB 3.88Å; Y466-F487 HydrophobicContact CD1-CD2 4.2Å; Y466-F487 HydrophobicContact CD1-CG 4.43Å; Y466-F487 HydrophobicContact CD2-CB 4.28Å; Y466-F487 HydrophobicContact CD2-CD2 4.41Å; Y466-F487 HydrophobicContact CE1-CB 3.93Å; Y466-F487 HydrophobicContact CE2-CB 4.31Å; Y466-F487 HydrophobicContact CG-CB 4.06Å; Y466-F487 AromaticContact CG-CD2 3.85Å; Y466-F487 HydrophobicContact CG-CD2 3.85Å; Y466-F487 HydrophobicContact CG-CG 4.42Å; K483-F487 WeakPolarHBondContact O-CB 3.43Å; K483-F487 PolarHBondContact O-N 2.93Å; I484-F487 WeakPolarHBondContact O-CB 3.25Å; I484-F487 PolarHBondContact O-N 2.86Å; F487-E489 PolarHBondContact O-N 2.81Å; F487-E489 VanDerWaalsContact O-N 3.16Å; F487-L490 WeakPolarHBondContact O-CB 3.38Å; F487-L490 PolarHBondContact O-N 3.46Å; F487-L490 VanDerWaalsContact O-N 3.08Å; F487-Y501 HydrophobicContact CD1-CD1 4.49Å; F487-Y501 HydrophobicContact CD2-CD1 4.44Å; F487-Y501 AromaticContact CE1-CD1 4Å; F487-Y501 HydrophobicContact CE1-CD1 4Å; F487-Y501 AromaticContact CE2-CD1 3.96Å; F487-Y501 HydrophobicContact CE2-CD1 3.96Å; F487-Y501 AromaticContact CZ-CD1 3.72Å; F487-Y501 HydrophobicContact CZ-CD1 3.72Å; F487-Y501 HydrophobicContact CZ-CG 4.27Å; F487-Y501 VanDerWaalsContact O-CE1 3.28Å; F487-Y501 WeakPolarHBondContact O-CE1 3.2Å; F487-I502 WeakPolarHBondContact CZ-O 3.46Å
488	L	89.8	Confident	82.3	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-18	175.8	-63.6	-174.9	0	0	0	112.3	I484 K485 R497 Y501 W531 W532 K535 N536	I484-L488 HydrophobicContact CG2-CD1 3.92Å; I484-L488 HydrophobicContact CG2-CG 4.07Å; I484-L488 WeakPolarHBondContact O-CB 3.31Å; I484-L488 VanDerWaalsContact O-CG 3.22Å; I484-L488 WeakPolarHBondContact O-CG 3.27Å; I484-L488 PolarHBondContact O-N 2.72Å; K485-L488 PolarHBondContact O-N 2.83Å; L488-R497 PolarHBondContact O-NH1 3.21Å; L488-Y501 HydrophobicContact CD2-CD1 4.43Å; L488-W531 HydrophobicContact CD1-CB 4.14Å; L488-W532 HydrophobicContact CD1-CE3 4.37Å; L488-W532 HydrophobicContact CD2-CE3 3.55Å; L488-W532 HydrophobicContact CD2-CZ3 3.75Å; L488-W532 HydrophobicContact CG-CE3 4.45Å; L488-K535 HydrophobicContact CB-CB 4.31Å; L488-K535 HydrophobicContact CB-CG 4.37Å; L488-N536 PolarHBondContact O-ND2 3.47Å
489	E	87	Confident	82.2	Confident	90 Å²	90	41.5 Å²	41.5	42%	0.421	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-3.3	175.8	-78.6	-175.4	-177.5	0	0	115.4	K485 S486 F487 R497 K535	K485-E489 WeakPolarHBondContact O-CB 3.49Å; K485-E489 WeakPolarHBondContact O-CG 3.39Å; K485-E489 PolarHBondContact O-N 3.16Å; S486-E489 CarbonylContact O-C 3.58Å; S486-E489 WeakPolarHBondContact O-CA 3.33Å; S486-E489 WeakPolarHBondContact O-CB 3.35Å; S486-E489 PolarHBondContact O-N 3.04Å; F487-E489 PolarHBondContact O-N 2.81Å; F487-E489 VanDerWaalsContact O-N 3.16Å; E489-R497 VanDerWaalsContact O-CZ 3.28Å; E489-R497 PolarHBondContact O-NH1 3.32Å; E489-R497 PolarHBondContact O-NH2 2.85Å; E489-K535 HydrophobicContact CG-CD 3.98Å; E489-K535 HydrophobicContact CG-CG 4.38Å; E489-K535 VanDerWaalsContact OE1-CD 3.29Å; E489-K535 WeakPolarHBondContact OE1-CD 3.24Å; E489-K535 WeakPolarHBondContact OE1-CE 3.49Å; E489-K535 IonicContact OE1-NZ 2.95Å; E489-K535 PolarHBondContact OE1-NZ 3.16Å
490	L	83.9	Confident	82.4	Confident	42 Å²	42	38.7 Å²	38.7	22%	0.22	22%	0.216	C	C	.	.			trans	-67	144	-178.6	-157.3	71.3	0	0	0	112.9	V415 Y466 S486 F487 R497 Y501	V415-L490 HydrophobicContact CB-CD2 4.35Å; V415-L490 HydrophobicContact CG2-CD2 3.45Å; V415-L490 VanDerWaalsContact CG2-CD2 3.45Å; Y466-L490 HydrophobicContact CD2-CD1 4.39Å; Y466-L490 HydrophobicContact CD2-CD2 4.38Å; S486-L490 PolarHBondContact O-N 2.8Å; F487-L490 WeakPolarHBondContact O-CB 3.38Å; F487-L490 PolarHBondContact O-N 3.46Å; F487-L490 VanDerWaalsContact O-N 3.08Å; L490-R497 WeakPolarHBondContact O-CD 3.33Å; L490-R497 PolarHBondContact O-NH1 3.05Å; L490-R497 VanDerWaalsContact O-NH1 3.08Å; L490-Y501 PolarHBondContact O-OH 2.96Å
491	R	81.2	Confident	82.6	Confident	133 Å²	133	38.7 Å²	38.7	50%	0.502	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-129.2	150.7	176.5	-66.2	176	-180	-125.9	6.2	109.9	G495	R491-G495 PolarHBondContact NH1-O 2.8Å
492	T	74.4	Confident	82.8	Confident	20 Å²	20	36.3 Å²	36.3	12%	0.123	20%	0.204	C	C	.	.			trans	-62.8	155.8	171.4	63.9	0	0	0	0	111.3	T413 D494 G495 P496	T413-T492 HydrophobicContact CG2-CG2 3.92Å; T492-D494 PolarHBondContact O-N 2.85Å; T492-D494 VanDerWaalsContact O-N 3.16Å; T492-G495 PolarHBondContact O-N 3.38Å; T492-P496 WeakPolarHBondContact CB-O 3.4Å; T492-P496 PolarHBondContact N-O 2.92Å; T492-P496 WeakPolarHBondContact OG1-CD 3.29Å; T492-P496 WeakPolarHBondContact OG1-CG 3.36Å; T492-P496 PolarHBondContact OG1-O 3.2Å
493	A	65.9	Low	83.1	Confident	112 Å²	112	32.6 Å²	32.6	93%	0.926	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.5	177.9	0	0	0	0	0	113.6	G495	A493-G495 VanDerWaalsContact C-N 3.28Å; A493-G495 PolarHBondContact O-N 2.91Å
494	D	56	Low	83.2	Confident	61 Å²	61	29.8 Å²	29.8	33%	0.326	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-5.6	178.5	-73.1	-45.6	0	0	0	113.2	K325 T492 P496	K325-D494 IonicContact NZ-OD1 2.91Å; K325-D494 PolarHBondContact NZ-OD1 3.02Å; K325-D494 IonicContact NZ-OD2 3.96Å; K325-D494 PolarHBondContact NZ-OD2 3.47Å; T492-D494 PolarHBondContact O-N 2.85Å; T492-D494 VanDerWaalsContact O-N 3.16Å; D494-P496 WeakPolarHBondContact O-CD 3.09Å
495	G	63.5	Low	83.3	Confident	13 Å²	13	29.8 Å²	29.8	13%	0.134	17%	0.166	C	C	.	.	S	Bend	trans	113.9	-35.7	174.8	0	0	0	0	0	118.2	R491 T492 A493	R491-G495 PolarHBondContact NH1-O 2.8Å; T492-G495 PolarHBondContact O-N 3.38Å; A493-G495 VanDerWaalsContact C-N 3.28Å; A493-G495 PolarHBondContact O-N 2.91Å
496	P	71.9	Confident	83.2	Confident	14 Å²	14	27.9 Å²	27.9	9%	0.091	16%	0.158	C	C	.	.	S	Bend	trans	-76.6	165.4	180	29	-34.5	0	0	0	113	T492 D494	T492-P496 WeakPolarHBondContact CB-O 3.4Å; T492-P496 PolarHBondContact N-O 2.92Å; T492-P496 WeakPolarHBondContact OG1-CD 3.29Å; T492-P496 WeakPolarHBondContact OG1-CG 3.36Å; T492-P496 PolarHBondContact OG1-O 3.2Å; D494-P496 WeakPolarHBondContact O-CD 3.09Å
497	R	78.4	Confident	83	Confident	27 Å²	27	25.4 Å²	25.4	10%	0.102	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-67.7	159.3	173.8	-69.2	-74.1	179.8	163.2	4.1	111.4	L488 E489 L490 F539	L488-R497 PolarHBondContact O-NH1 3.21Å; E489-R497 VanDerWaalsContact O-CZ 3.28Å; E489-R497 PolarHBondContact O-NH1 3.32Å; E489-R497 PolarHBondContact O-NH2 2.85Å; L490-R497 WeakPolarHBondContact O-CD 3.33Å; L490-R497 PolarHBondContact O-NH1 3.05Å; L490-R497 VanDerWaalsContact O-NH1 3.08Å; R497-F539 HydrophobicContact CG-CD1 4.22Å; R497-F539 HydrophobicContact CG-CE1 4.46Å; R497-F539 HydrophobicContact CG-CG 4.35Å
498	H	83.7	Confident	82.4	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.009	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-68.9	141.3	171.1	-66.2	-88.6	0	0	0	110.1	T413 V415 E464 T500 Y501 S541	T413-H498 WeakPolarHBondContact OG1-CA 3.48Å; V415-H498 HydrophobicContact CB-CB 4.39Å; V415-H498 HydrophobicContact CG1-CB 3.82Å; E464-H498 IonicContact OE2-CE1 3.8Å; E464-H498 PolarHBondContact OE2-CE1 3.32Å; E464-H498 IonicContact OE2-NE2 2.72Å; H498-T500 VanDerWaalsContact C-N 3.32Å; H498-Y501 HydrophobicContact CB-CD2 4.39Å; H498-Y501 HydrophobicContact CB-CE1 4.46Å; H498-Y501 HydrophobicContact CB-CE2 3.85Å; H498-Y501 PolarHBondContact N-OH 3.47Å; H498-Y501 VanDerWaalsContact O-CE2 3.27Å; H498-Y501 WeakPolarHBondContact O-CE2 3.39Å; H498-S541 WeakPolarHBondContact O-CB 3.24Å; H498-S541 PolarHBondContact O-OG 3.35Å
499	D	84.3	Confident	82	Confident	9 Å²	9	27 Å²	27	5%	0.048	15%	0.149	C	C	.	.	S	Bend	trans	-66.6	-40.2	175.5	-77.3	-53.8	0	0	0	110.1	R353 G412 T413 R542 Y628 L630 H631	R353-D499 IonicContact NH1-OD1 3.63Å; R353-D499 IonicContact NH1-OD2 3.4Å; G412-D499 WeakPolarHBondContact CA-OD2 3.35Å; T413-D499 PolarHBondContact N-OD2 2.93Å; T413-D499 VanDerWaalsContact N-OD2 3.16Å; T413-D499 WeakPolarHBondContact O-CB 3.39Å; T413-D499 PolarHBondContact O-N 2.83Å; T413-D499 PolarHBondContact OG1-N 3.45Å; D499-R542 WeakPolarHBondContact O-CG 3.27Å; D499-R542 PolarHBondContact O-N 3.38Å; D499-Y628 WeakPolarHBondContact CB-OH 3.24Å; D499-Y628 PolarHBondContact O-OH 3.39Å; D499-L630 HydrophobicContact CB-CD2 3.81Å; D499-H631 VanDerWaalsContact OD1-CB 3.28Å; D499-H631 WeakPolarHBondContact OD1-CB 3.15Å; D499-H631 PolarHBondContact OD1-N 3.37Å
500	T	88.8	Confident	81.8	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.4	-177.4	-50.5	0	0	0	0	111.6	T413 C414 V415 H498 I502 R542 I544 Q693	T413-T500 PolarHBondContact O-N 3.44Å; C414-T500 WeakPolarHBondContact CA-O 3.23Å; V415-T500 PolarHBondContact N-O 3.46Å; H498-T500 VanDerWaalsContact C-N 3.32Å; T500-I502 HydrophobicContact CG2-CG1 4.25Å; T500-R542 WeakPolarHBondContact CA-O 3.4Å; T500-R542 HydrophobicContact CG2-CG 4.09Å; T500-R542 PolarHBondContact OG1-NE 3.25Å; T500-R542 PolarHBondContact OG1-NH2 2.85Å; T500-I544 HydrophobicContact CG2-CD1 3.74Å; T500-I544 HydrophobicContact CG2-CG1 4.17Å; T500-Q693 PolarHBondContact OG1-NE2 2.71Å
501	Y	92.5	Very high	81.5	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128	170.1	-69.1	-102.3	0	0	0	108.5	V415 F487 L488 L490 H498 W532 R542 L543 I544	V415-Y501 HydrophobicContact CG1-CD1 3.27Å; V415-Y501 HydrophobicContact CG1-CE1 3.47Å; V415-Y501 VanDerWaalsContact CG1-CE1 3.47Å; V415-Y501 HydrophobicContact CG1-CG 3.83Å; V415-Y501 CarbonylContact O-C 3.57Å; V415-Y501 WeakPolarHBondContact O-CA 3.4Å; F487-Y501 HydrophobicContact CD1-CD1 4.49Å; F487-Y501 HydrophobicContact CD2-CD1 4.44Å; F487-Y501 AromaticContact CE1-CD1 4Å; F487-Y501 HydrophobicContact CE1-CD1 4Å; F487-Y501 AromaticContact CE2-CD1 3.96Å; F487-Y501 HydrophobicContact CE2-CD1 3.96Å; F487-Y501 AromaticContact CZ-CD1 3.72Å; F487-Y501 HydrophobicContact CZ-CD1 3.72Å; F487-Y501 HydrophobicContact CZ-CG 4.27Å; F487-Y501 VanDerWaalsContact O-CE1 3.28Å; F487-Y501 WeakPolarHBondContact O-CE1 3.2Å; L488-Y501 HydrophobicContact CD2-CD1 4.43Å; L490-Y501 PolarHBondContact O-OH 2.96Å; H498-Y501 HydrophobicContact CB-CD2 4.39Å; H498-Y501 HydrophobicContact CB-CE1 4.46Å; H498-Y501 HydrophobicContact CB-CE2 3.85Å; H498-Y501 PolarHBondContact N-OH 3.47Å; H498-Y501 VanDerWaalsContact O-CE2 3.27Å; H498-Y501 WeakPolarHBondContact O-CE2 3.39Å; Y501-W532 AromaticContact CD2-CH2 3.57Å; Y501-W532 HydrophobicContact CD2-CH2 3.57Å; Y501-W532 AromaticContact CD2-CZ3 3.73Å; Y501-W532 HydrophobicContact CD2-CZ3 3.73Å; Y501-W532 HydrophobicContact CE2-CH2 4.11Å; Y501-W532 HydrophobicContact CE2-CZ3 4.28Å; Y501-W532 HydrophobicContact CG-CH2 4.18Å; Y501-W532 AromaticContact CG-CZ3 3.91Å; Y501-W532 HydrophobicContact CG-CZ3 3.91Å; Y501-R542 PolarHBondContact N-O 3.27Å; Y501-L543 CarbonylContact O-C 3.57Å; Y501-L543 WeakPolarHBondContact O-CA 3.42Å; Y501-I544 PolarHBondContact O-N 3.46Å
502	I	94.1	Very high	81.4	Confident	2 Å²	2	24.5 Å²	24.5	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120	176	-59.6	171	0	0	0	108.4	C414 V415 G416 Y417 F457 F458 I463 F487 T500 I544 V546 F695	C414-I502 WeakPolarHBondContact SG-CD1 3.48Å; V415-I502 PolarHBondContact O-N 2.95Å; G416-I502 CarbonylContact C-O 3.53Å; G416-I502 WeakPolarHBondContact CA-O 3.49Å; Y417-I502 PolarHBondContact N-O 3.32Å; F457-I502 HydrophobicContact CE1-CD1 4.42Å; F458-I502 HydrophobicContact CE1-CG2 4.31Å; I463-I502 HydrophobicContact CD1-CD1 3.61Å; I463-I502 HydrophobicContact CG1-CD1 4.36Å; F487-I502 WeakPolarHBondContact CZ-O 3.46Å; T500-I502 HydrophobicContact CG2-CG1 4.25Å; I502-I544 CarbonylContact C-O 3.59Å; I502-I544 VanDerWaalsContact CA-O 3.31Å; I502-I544 WeakPolarHBondContact CA-O 3.39Å; I502-I544 HydrophobicContact CG1-CB 4.39Å; I502-V546 HydrophobicContact CG2-CG2 4.4Å; I502-F695 HydrophobicContact CD1-CE1 3.67Å; I502-F695 HydrophobicContact CD1-CE2 4.36Å; I502-F695 HydrophobicContact CD1-CZ 3.42Å; I502-F695 VanDerWaalsContact CD1-CZ 3.42Å; I502-F695 HydrophobicContact CG1-CZ 4.18Å
503	L	95	Very high	81.7	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111.6	172.4	-177.5	61.4	0	0	0	108.3	Y417 W515 L528 L543 I544 I545 V546	Y417-L503 HydrophobicContact CD1-CD1 3.52Å; Y417-L503 HydrophobicContact CE1-CD1 4.27Å; Y417-L503 HydrophobicContact CG-CD1 4.29Å; Y417-L503 WeakPolarHBondContact O-CA 3.48Å; L503-W515 HydrophobicContact CD2-CH2 3.69Å; L503-W515 HydrophobicContact CD2-CZ3 4.44Å; L503-W515 HydrophobicContact CG-CH2 4.08Å; L503-L528 HydrophobicContact CD2-CD1 4.08Å; L503-L528 HydrophobicContact CD2-CD2 3.78Å; L503-L543 HydrophobicContact CB-CD1 4.46Å; L503-I544 PolarHBondContact N-O 2.87Å; L503-I545 CarbonylContact O-C 3.51Å; L503-I545 WeakPolarHBondContact O-CA 3.5Å; L503-V546 PolarHBondContact O-N 3.27Å
504	Y	94.6	Very high	82.7	Confident	1 Å²	1	20.4 Å²	20.4	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131	173.7	171.3	-91.8	0	0	0	109.6	Y417 A418 V419 V420 I454 S506 V546 D548 T592	Y417-Y504 PolarHBondContact O-N 3.1Å; A418-Y504 WeakPolarHBondContact CA-O 3.43Å; A418-Y504 HydrophobicContact CB-CD1 3.88Å; A418-Y504 HydrophobicContact CB-CG 4.49Å; V419-Y504 PolarHBondContact N-O 3.37Å; V420-Y504 HydrophobicContact CG2-CD1 4.5Å; V420-Y504 HydrophobicContact CG2-CE1 3.83Å; I454-Y504 HydrophobicContact CD1-CD1 4.33Å; I454-Y504 HydrophobicContact CD1-CD2 3.47Å; I454-Y504 VanDerWaalsContact CD1-CD2 3.47Å; I454-Y504 HydrophobicContact CD1-CE1 4.39Å; I454-Y504 HydrophobicContact CD1-CE2 3.56Å; I454-Y504 HydrophobicContact CD1-CG 3.87Å; I454-Y504 HydrophobicContact CG1-CD1 3.89Å; I454-Y504 HydrophobicContact CG1-CD2 3.92Å; I454-Y504 HydrophobicContact CG1-CE1 3.75Å; I454-Y504 HydrophobicContact CG1-CE2 3.79Å; I454-Y504 HydrophobicContact CG1-CG 3.96Å; I454-Y504 HydrophobicContact CG2-CD1 4.37Å; I454-Y504 HydrophobicContact CG2-CG 4.39Å; Y504-S506 WeakPolarHBondContact OH-CB 3.37Å; Y504-V546 WeakPolarHBondContact CA-O 3.19Å; Y504-V546 HydrophobicContact CD2-CB 4.05Å; Y504-V546 HydrophobicContact CD2-CG1 3.9Å; Y504-V546 HydrophobicContact CE2-CG1 4.39Å; Y504-D548 HydrophobicContact CE2-CB 4.43Å; Y504-T592 HydrophobicContact CE2-CG2 4.04Å; Y504-T592 WeakPolarHBondContact CE2-OG1 3.4Å; Y504-T592 WeakPolarHBondContact OH-CG2 3.16Å; Y504-T592 PolarHBondContact OH-OG1 2.8Å
505	Y	92.3	Very high	84.2	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133.7	174.4	175.3	-98.9	0	0	0	111	V419 I421 H508 W515 V546 L547 D548 C549	V419-Y505 HydrophobicContact CB-CD2 4.16Å; V419-Y505 HydrophobicContact CG1-CD2 4.03Å; V419-Y505 HydrophobicContact CG1-CE2 4.39Å; V419-Y505 WeakPolarHBondContact O-CA 3.34Å; I421-Y505 HydrophobicContact CD1-CE2 3.98Å; I421-Y505 HydrophobicContact CG1-CE2 4.35Å; Y505-H508 PolarHBondContact OH-O 3.37Å; Y505-W515 VanDerWaalsContact CB-CH2 3.48Å; Y505-W515 AromaticContact CD1-CD1 3.65Å; Y505-W515 AromaticContact CD1-CD2 3.66Å; Y505-W515 HydrophobicContact CD1-CD2 3.66Å; Y505-W515 AromaticContact CD1-CE2 3.36Å; Y505-W515 HydrophobicContact CD1-CE3 4.36Å; Y505-W515 AromaticContact CD1-CG 3.85Å; Y505-W515 HydrophobicContact CD1-CG 3.85Å; Y505-W515 AromaticContact CD1-CZ2 3.9Å; Y505-W515 HydrophobicContact CD1-CZ2 3.9Å; Y505-W515 AromaticContact CD1-NE1 3.33Å; Y505-W515 VanDerWaalsContact CD1-NE1 3.33Å; Y505-W515 AromaticContact CD2-CD2 3.7Å; Y505-W515 HydrophobicContact CD2-CD2 3.7Å; Y505-W515 AromaticContact CD2-CE2 3.99Å; Y505-W515 AromaticContact CD2-CE3 3.55Å; Y505-W515 HydrophobicContact CD2-CE3 3.55Å; Y505-W515 HydrophobicContact CD2-CG 4.35Å; Y505-W515 HydrophobicContact CD2-CH2 4.08Å; Y505-W515 HydrophobicContact CD2-CZ2 4.2Å; Y505-W515 AromaticContact CD2-CZ3 3.76Å; Y505-W515 HydrophobicContact CD2-CZ3 3.76Å; Y505-W515 HydrophobicContact CE1-CB 4.07Å; Y505-W515 AromaticContact CE1-CD1 3.45Å; Y505-W515 VanDerWaalsContact CE1-CD1 3.45Å; Y505-W515 AromaticContact CE1-CD2 3.79Å; Y505-W515 HydrophobicContact CE1-CD2 3.79Å; Y505-W515 AromaticContact CE1-CE2 3.92Å; Y505-W515 AromaticContact CE1-CG 3.52Å; Y505-W515 HydrophobicContact CE1-CG 3.52Å; Y505-W515 AromaticContact CE1-NE1 3.67Å; Y505-W515 HydrophobicContact CE2-CB 4.25Å; Y505-W515 AromaticContact CE2-CD2 3.81Å; Y505-W515 HydrophobicContact CE2-CD2 3.81Å; Y505-W515 AromaticContact CE2-CE3 3.78Å; Y505-W515 HydrophobicContact CE2-CE3 3.78Å; Y505-W515 HydrophobicContact CE2-CG 4.04Å; Y505-W515 HydrophobicContact CE2-CZ3 4.43Å; Y505-W515 AromaticContact CG-CD2 3.62Å; Y505-W515 HydrophobicContact CG-CD2 3.62Å; Y505-W515 AromaticContact CG-CE2 3.41Å; Y505-W515 VanDerWaalsContact CG-CE2 3.41Å; Y505-W515 AromaticContact CG-CE3 3.87Å; Y505-W515 HydrophobicContact CG-CE3 3.87Å; Y505-W515 HydrophobicContact CG-CG 4.26Å; Y505-W515 AromaticContact CG-CH2 3.81Å; Y505-W515 HydrophobicContact CG-CH2 3.81Å; Y505-W515 AromaticContact CG-CZ2 3.54Å; Y505-W515 HydrophobicContact CG-CZ2 3.54Å; Y505-W515 AromaticContact CG-CZ3 3.97Å; Y505-W515 HydrophobicContact CG-CZ3 3.97Å; Y505-W515 AromaticContact CG-NE1 3.9Å; Y505-W515 AromaticContact CZ-CD2 3.86Å; Y505-W515 AromaticContact CZ-CG 3.61Å; Y505-V546 PolarHBondContact N-O 3.42Å; Y505-L547 HydrophobicContact CD1-CD2 4.25Å; Y505-L547 WeakPolarHBondContact O-CA 3.46Å; Y505-D548 PolarHBondContact O-N 3.22Å; Y505-C549 WeakPolarHBondContact CD1-SG 3.38Å; Y505-C549 WeakPolarHBondContact CE1-SG 3.2Å
506	S	89.4	Confident	85.1	Confident	3 Å²	3	17.8 Å²	17.8	2%	0.021	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	122.7	169.9	179.5	0	0	0	0	108.8	V419 I421 M450 Y504 D548	V419-S506 PolarHBondContact O-N 3.38Å; I421-S506 PolarHBondContact N-O 3.35Å; M450-S506 PolarHBondContact SD-OG 2.83Å; M450-S506 VanDerWaalsContact SD-OG 3.35Å; Y504-S506 WeakPolarHBondContact OH-CB 3.37Å; S506-D548 WeakPolarHBondContact CA-O 3.42Å
507	G	83.9	Confident	85.6	Confident	1 Å²	1	17.9 Å²	17.9	1%	0.01	11%	0.111	C	C	.	.	S	Bend	trans	168.7	-170.3	-178.3	0	0	0	0	0	113.5	I421 T423	I421-G507 WeakPolarHBondContact O-CA 3.3Å; T423-G507 VanDerWaalsContact CG2-C 3.4Å
508	H	79.6	Confident	85.5	Confident	32 Å²	32	18.2 Å²	18.2	15%	0.148	12%	0.119	C	C	.	.			trans	-78.7	135	-175	-170.8	70.2	0	0	0	110.2	T423 Y505 A516	T423-H508 HydrophobicContact CG2-CB 3.93Å; T423-H508 VanDerWaalsContact CG2-N 3.29Å; Y505-H508 PolarHBondContact OH-O 3.37Å; H508-A516 HydrophobicContact CB-CB 4.29Å; H508-A516 PolarHBondContact O-N 3.14Å
509	S	81.8	Confident	84.8	Confident	2 Å²	2	22 Å²	22	1%	0.014	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-127.7	131.6	-178.8	58.9	0	0	0	0	110.5	E514 N551	S509-E514 CarbonylContact C-O 3.42Å; S509-E514 WeakPolarHBondContact CA-O 3.17Å; S509-N551 PolarHBondContact O-ND2 3.24Å; S509-N551 VanDerWaalsContact O-ND2 3.11Å; S509-N551 WeakPolarHBondContact OG-CB 3.36Å; S509-N551 PolarHBondContact OG-N 3.02Å
510	H	82.6	Confident	84.1	Confident	63 Å²	63	25.1 Å²	25.1	29%	0.292	19%	0.193	S	C	.	.			trans	-61.8	167	173.6	-64.2	-65.5	0	0	0	111.4	T512 G513 E514 N551	H510-T512 PolarHBondContact O-N 3.41Å; H510-G513 WeakPolarHBondContact O-CA 3.45Å; H510-G513 PolarHBondContact O-N 3.06Å; H510-E514 HydrophobicContact CB-CB 4.45Å; H510-E514 PolarHBondContact N-O 3.41Å; H510-N551 WeakPolarHBondContact O-CB 3.44Å; H510-N551 PolarHBondContact O-ND2 3.38Å
511	G	76.7	Confident	83.7	Confident	65 Å²	65	29.1 Å²	29.1	67%	0.67	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.8	179.7	0	0	0	0	0	114.4	G513	G511-G513 VanDerWaalsContact C-N 3.31Å
512	T	79.1	Confident	83.3	Confident	85 Å²	85	30.7 Å²	30.7	52%	0.521	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-8.1	172.9	51.5	0	0	0	0	113.6	H510 E514 P554	H510-T512 PolarHBondContact O-N 3.41Å; T512-E514 WeakPolarHBondContact OG1-CG 3.18Å; T512-P554 WeakPolarHBondContact O-CB 3.31Å
513	G	80.9	Confident	83	Confident	2 Å²	2	30.6 Å²	30.6	2%	0.021	23%	0.227	C	C	.	.			trans	88.9	-0.7	-177.6	0	0	0	0	0	114.9	H510 G511 N551 W555	H510-G513 WeakPolarHBondContact O-CA 3.45Å; H510-G513 PolarHBondContact O-N 3.06Å; G511-G513 VanDerWaalsContact C-N 3.31Å; G513-N551 VanDerWaalsContact CA-O 3.24Å; G513-N551 WeakPolarHBondContact CA-O 3.21Å; G513-W555 VanDerWaalsContact C-NE1 3.27Å; G513-W555 PolarHBondContact O-NE1 2.98Å
514	E	87.1	Confident	82.8	Confident	44 Å²	44	34.6 Å²	34.6	21%	0.206	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-63.2	141.6	177.6	-62.2	173.4	178.4	0	0	111.8	S509 H510 T512 A516 A522 L523 Q524	S509-E514 CarbonylContact C-O 3.42Å; S509-E514 WeakPolarHBondContact CA-O 3.17Å; H510-E514 HydrophobicContact CB-CB 4.45Å; H510-E514 PolarHBondContact N-O 3.41Å; T512-E514 WeakPolarHBondContact OG1-CG 3.18Å; E514-A516 PolarHBondContact O-N 3.31Å; E514-A522 HydrophobicContact CB-CB 4.14Å; E514-L523 WeakPolarHBondContact CA-O 3.45Å; E514-Q524 HydrophobicContact CG-CG 3.74Å; E514-Q524 VanDerWaalsContact OE1-CG 3.24Å; E514-Q524 WeakPolarHBondContact OE1-CG 3.24Å; E514-Q524 PolarHBondContact OE1-NE2 3.22Å
515	W	87.9	Confident	82.5	Confident	1 Å²	1	35 Å²	35	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	125.2	178.5	-58.7	-6.6	0	0	0	109.9	L480 L503 Y505 A522 L523 I545 L547 W555	L480-W515 HydrophobicContact CD2-CE3 4.31Å; L503-W515 HydrophobicContact CD2-CH2 3.69Å; L503-W515 HydrophobicContact CD2-CZ3 4.44Å; L503-W515 HydrophobicContact CG-CH2 4.08Å; Y505-W515 VanDerWaalsContact CB-CH2 3.48Å; Y505-W515 AromaticContact CD1-CD1 3.65Å; Y505-W515 AromaticContact CD1-CD2 3.66Å; Y505-W515 HydrophobicContact CD1-CD2 3.66Å; Y505-W515 AromaticContact CD1-CE2 3.36Å; Y505-W515 HydrophobicContact CD1-CE3 4.36Å; Y505-W515 AromaticContact CD1-CG 3.85Å; Y505-W515 HydrophobicContact CD1-CG 3.85Å; Y505-W515 AromaticContact CD1-CZ2 3.9Å; Y505-W515 HydrophobicContact CD1-CZ2 3.9Å; Y505-W515 AromaticContact CD1-NE1 3.33Å; Y505-W515 VanDerWaalsContact CD1-NE1 3.33Å; Y505-W515 AromaticContact CD2-CD2 3.7Å; Y505-W515 HydrophobicContact CD2-CD2 3.7Å; Y505-W515 AromaticContact CD2-CE2 3.99Å; Y505-W515 AromaticContact CD2-CE3 3.55Å; Y505-W515 HydrophobicContact CD2-CE3 3.55Å; Y505-W515 HydrophobicContact CD2-CG 4.35Å; Y505-W515 HydrophobicContact CD2-CH2 4.08Å; Y505-W515 HydrophobicContact CD2-CZ2 4.2Å; Y505-W515 AromaticContact CD2-CZ3 3.76Å; Y505-W515 HydrophobicContact CD2-CZ3 3.76Å; Y505-W515 HydrophobicContact CE1-CB 4.07Å; Y505-W515 AromaticContact CE1-CD1 3.45Å; Y505-W515 VanDerWaalsContact CE1-CD1 3.45Å; Y505-W515 AromaticContact CE1-CD2 3.79Å; Y505-W515 HydrophobicContact CE1-CD2 3.79Å; Y505-W515 AromaticContact CE1-CE2 3.92Å; Y505-W515 AromaticContact CE1-CG 3.52Å; Y505-W515 HydrophobicContact CE1-CG 3.52Å; Y505-W515 AromaticContact CE1-NE1 3.67Å; Y505-W515 HydrophobicContact CE2-CB 4.25Å; Y505-W515 AromaticContact CE2-CD2 3.81Å; Y505-W515 HydrophobicContact CE2-CD2 3.81Å; Y505-W515 AromaticContact CE2-CE3 3.78Å; Y505-W515 HydrophobicContact CE2-CE3 3.78Å; Y505-W515 HydrophobicContact CE2-CG 4.04Å; Y505-W515 HydrophobicContact CE2-CZ3 4.43Å; Y505-W515 AromaticContact CG-CD2 3.62Å; Y505-W515 HydrophobicContact CG-CD2 3.62Å; Y505-W515 AromaticContact CG-CE2 3.41Å; Y505-W515 VanDerWaalsContact CG-CE2 3.41Å; Y505-W515 AromaticContact CG-CE3 3.87Å; Y505-W515 HydrophobicContact CG-CE3 3.87Å; Y505-W515 HydrophobicContact CG-CG 4.26Å; Y505-W515 AromaticContact CG-CH2 3.81Å; Y505-W515 HydrophobicContact CG-CH2 3.81Å; Y505-W515 AromaticContact CG-CZ2 3.54Å; Y505-W515 HydrophobicContact CG-CZ2 3.54Å; Y505-W515 AromaticContact CG-CZ3 3.97Å; Y505-W515 HydrophobicContact CG-CZ3 3.97Å; Y505-W515 AromaticContact CG-NE1 3.9Å; Y505-W515 AromaticContact CZ-CD2 3.86Å; Y505-W515 AromaticContact CZ-CG 3.61Å; W515-A522 CarbonylContact O-C 3.54Å; W515-A522 VanDerWaalsContact O-CA 3.26Å; W515-A522 WeakPolarHBondContact O-CA 3.38Å; W515-L523 HydrophobicContact CB-CB 4.13Å; W515-L523 HydrophobicContact CD2-CD2 4.17Å; W515-L523 HydrophobicContact CE3-CB 4.45Å; W515-L523 HydrophobicContact CE3-CD2 3.5Å; W515-L523 VanDerWaalsContact CE3-CD2 3.5Å; W515-L523 HydrophobicContact CZ3-CD2 3.71Å; W515-L523 PolarHBondContact N-O 2.96Å; W515-L523 PolarHBondContact O-N 3.37Å; W515-I545 HydrophobicContact CZ2-CG2 4.44Å; W515-L547 HydrophobicContact CZ2-CD2 3.67Å; W515-W555 AromaticContact CD1-CH2 3.44Å; W515-W555 VanDerWaalsContact CD1-CH2 3.44Å; W515-W555 AromaticContact CD1-CZ2 3.62Å; W515-W555 AromaticContact CD2-CH2 3.81Å; W515-W555 HydrophobicContact CD2-CH2 3.81Å; W515-W555 HydrophobicContact CD2-CZ3 4.42Å; W515-W555 AromaticContact CE2-CH2 3.21Å; W515-W555 AromaticContact CE2-CZ3 3.41Å; W515-W555 VanDerWaalsContact CE2-CZ3 3.41Å; W515-W555 AromaticContact CG-CH2 3.93Å; W515-W555 HydrophobicContact CG-CH2 3.93Å; W515-W555 HydrophobicContact CG-CZ2 4.26Å; W515-W555 AromaticContact CZ2-CH2 3.7Å; W515-W555 HydrophobicContact CZ2-CH2 3.7Å; W515-W555 AromaticContact CZ2-CZ3 3.47Å; W515-W555 HydrophobicContact CZ2-CZ3 3.47Å; W515-W555 VanDerWaalsContact CZ2-CZ3 3.47Å; W515-W555 AromaticContact NE1-CE3 3.98Å; W515-W555 AromaticContact NE1-CH2 2.97Å; W515-W555 AromaticContact NE1-CZ2 3.58Å; W515-W555 AromaticContact NE1-CZ3 3.21Å
516	A	82.7	Confident	82.4	Confident	18 Å²	18	39.8 Å²	39.8	15%	0.149	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	128.8	175.4	0	0	0	0	0	110.3	H508 E514	H508-A516 HydrophobicContact CB-CB 4.29Å; H508-A516 PolarHBondContact O-N 3.14Å; E514-A516 PolarHBondContact O-N 3.31Å
517	L	82.6	Confident	82.5	Confident	16 Å²	16	41.2 Å²	41.2	8%	0.084	28%	0.282	C	S	.	.			trans	-116.1	165.4	-179.5	-57.1	179.6	0	0	0	111.6	I421 L475 F477 L480 G519 D521 L523	I421-L517 HydrophobicContact CD1-CD2 4.43Å; L475-L517 WeakPolarHBondContact O-CB 3.36Å; F477-L517 HydrophobicContact CB-CD1 4.06Å; F477-L517 HydrophobicContact CD2-CD1 3.77Å; F477-L517 HydrophobicContact CG-CD1 4.39Å; L480-L517 HydrophobicContact CD2-CD1 4.11Å; L480-L517 HydrophobicContact CD2-CD2 3.59Å; L517-G519 PolarHBondContact O-N 2.91Å; L517-D521 WeakPolarHBondContact CA-O 3.07Å; L517-D521 HydrophobicContact CB-CB 4.3Å; L517-D521 VanDerWaalsContact CB-O 3.31Å; L517-D521 WeakPolarHBondContact CB-O 3.38Å; L517-D521 PolarHBondContact N-O 3.02Å; L517-L523 HydrophobicContact CD1-CB 4.28Å
518	A	75.8	Confident	82.8	Confident	34 Å²	34	41.2 Å²	41.2	28%	0.281	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-66.3	135	175.5	0	0	0	0	0	110.1	L475	L475-A518 PolarHBondContact O-N 3.33Å
519	G	68.8	Low	83.4	Confident	82 Å²	82	40.1 Å²	40.1	85%	0.845	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.1	2.3	-179.5	0	0	0	0	0	115.2	L517 D521	L517-G519 PolarHBondContact O-N 2.91Å; G519-D521 VanDerWaalsContact C-N 3.3Å
520	G	70	Confident	83.8	Confident	75 Å²	75	45.9 Å²	45.9	77%	0.773	30%	0.304	S	S	*	.	S	Bend	trans	84.9	4	-178.5	0	0	0	0	0	114
521	D	79.4	Confident	84.2	Confident	83 Å²	83	43.7 Å²	43.7	44%	0.444	29%	0.293	S	S	.	.			trans	-74.6	154.3	171.6	-65	-35.3	0	0	0	110.9	F477 L517 G519	F477-D521 HydrophobicContact CB-CB 4.12Å; L517-D521 WeakPolarHBondContact CA-O 3.07Å; L517-D521 HydrophobicContact CB-CB 4.3Å; L517-D521 VanDerWaalsContact CB-O 3.31Å; L517-D521 WeakPolarHBondContact CB-O 3.38Å; L517-D521 PolarHBondContact N-O 3.02Å; G519-D521 VanDerWaalsContact C-N 3.3Å
522	A	84.3	Confident	84.9	Confident	33 Å²	33	40.9 Å²	40.9	27%	0.273	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	142.3	176.9	0	0	0	0	0	111	E514 W515	E514-A522 HydrophobicContact CB-CB 4.14Å; W515-A522 CarbonylContact O-C 3.54Å; W515-A522 VanDerWaalsContact O-CA 3.26Å; W515-A522 WeakPolarHBondContact O-CA 3.38Å
523	L	87.7	Confident	85.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	118	171.8	-174.2	67.1	0	0	0	110.4	F477 L480 I484 E514 W515 L517 T527 W531	F477-L523 HydrophobicContact CE2-CD1 4.09Å; L480-L523 HydrophobicContact CD2-CD2 4.12Å; I484-L523 HydrophobicContact CD1-CD2 4.35Å; E514-L523 WeakPolarHBondContact CA-O 3.45Å; W515-L523 HydrophobicContact CB-CB 4.13Å; W515-L523 HydrophobicContact CD2-CD2 4.17Å; W515-L523 HydrophobicContact CE3-CB 4.45Å; W515-L523 HydrophobicContact CE3-CD2 3.5Å; W515-L523 VanDerWaalsContact CE3-CD2 3.5Å; W515-L523 HydrophobicContact CZ3-CD2 3.71Å; W515-L523 PolarHBondContact N-O 2.96Å; W515-L523 PolarHBondContact O-N 3.37Å; L517-L523 HydrophobicContact CD1-CB 4.28Å; L523-T527 HydrophobicContact CD1-CG2 4.25Å; L523-W531 HydrophobicContact CD1-CH2 3.5Å; L523-W531 VanDerWaalsContact CD1-CH2 3.5Å; L523-W531 HydrophobicContact CD1-CZ2 4.3Å; L523-W531 HydrophobicContact CD1-CZ3 3.72Å; L523-W531 HydrophobicContact CD2-CZ3 4.45Å
524	Q	91.1	Very high	85.6	Confident	86 Å²	86	47.9 Å²	47.9	40%	0.402	28%	0.283	S	S	.	.			trans	-85.6	150.8	171.8	-73	177.1	-5.5	0	0	111.7	E514 D526 T527 L528	E514-Q524 HydrophobicContact CG-CG 3.74Å; E514-Q524 VanDerWaalsContact OE1-CG 3.24Å; E514-Q524 WeakPolarHBondContact OE1-CG 3.24Å; E514-Q524 PolarHBondContact OE1-NE2 3.22Å; Q524-D526 VanDerWaalsContact C-N 3.27Å; Q524-D526 PolarHBondContact O-N 3.33Å; Q524-T527 PolarHBondContact O-N 3.07Å; Q524-L528 PolarHBondContact O-N 3.36Å
525	L	89.4	Confident	85.5	Confident	9 Å²	9	47.8 Å²	47.8	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-59.3	-40.8	173.5	179.6	61.2	0	0	0	111.1	T527 L528 L529 I545 W555 E558	L525-T527 VanDerWaalsContact C-N 3.35Å; L525-T527 PolarHBondContact O-N 2.81Å; L525-L528 PolarHBondContact O-N 3.16Å; L525-L529 HydrophobicContact CD1-CD1 4.27Å; L525-L529 HydrophobicContact CD1-CD2 4.46Å; L525-L529 HydrophobicContact CD1-CG 4.09Å; L525-L529 HydrophobicContact CD2-CD1 4.39Å; L525-L529 HydrophobicContact CG-CD1 3.88Å; L525-L529 HydrophobicContact CG-CG 4.14Å; L525-L529 VanDerWaalsContact O-CG 3.27Å; L525-L529 WeakPolarHBondContact O-CG 3.49Å; L525-L529 PolarHBondContact O-N 3.43Å; L525-I545 HydrophobicContact CD1-CD1 3.99Å; L525-W555 HydrophobicContact CB-CD2 3.93Å; L525-W555 HydrophobicContact CB-CE3 4.38Å; L525-W555 HydrophobicContact CB-CG 4.2Å; L525-W555 HydrophobicContact CB-CZ2 4.2Å; L525-W555 HydrophobicContact CD1-CD2 4.17Å; L525-W555 HydrophobicContact CD1-CE3 3.85Å; L525-W555 HydrophobicContact CD1-CZ3 4.18Å; L525-W555 HydrophobicContact CD2-CB 4.16Å; L525-W555 HydrophobicContact CD2-CD2 4.47Å; L525-W555 HydrophobicContact CD2-CG 4.16Å; L525-W555 HydrophobicContact CG-CD2 4.41Å; L525-E558 HydrophobicContact CD2-CB 3.97Å
526	D	89.9	Confident	85.2	Confident	102 Å²	102	47.9 Å²	47.9	55%	0.545	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-42.4	-178.6	-68.8	-34.3	0	0	0	111.8	Q524 L528 L529 E530	Q524-D526 VanDerWaalsContact C-N 3.27Å; Q524-D526 PolarHBondContact O-N 3.33Å; D526-L528 VanDerWaalsContact C-N 3.35Å; D526-L528 PolarHBondContact O-N 3.34Å; D526-L529 CarbonylContact O-C 3.53Å; D526-L529 PolarHBondContact O-N 3.04Å; D526-E530 WeakPolarHBondContact O-CG 3.26Å; D526-E530 PolarHBondContact O-N 3.41Å
527	T	90.7	Very high	84.8	Confident	33 Å²	33	49.7 Å²	49.7	20%	0.202	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-42.9	175.1	-46.7	0	0	0	0	111.8	F477 L523 Q524 L525 E530 W531	F477-T527 HydrophobicContact CZ-CG2 4.46Å; L523-T527 HydrophobicContact CD1-CG2 4.25Å; Q524-T527 PolarHBondContact O-N 3.07Å; L525-T527 VanDerWaalsContact C-N 3.35Å; L525-T527 PolarHBondContact O-N 2.81Å; T527-E530 WeakPolarHBondContact O-CB 3.29Å; T527-E530 PolarHBondContact O-N 3.18Å; T527-W531 HydrophobicContact CG2-CD2 4.44Å; T527-W531 HydrophobicContact CG2-CH2 4.24Å; T527-W531 HydrophobicContact CG2-CZ2 3.52Å; T527-W531 VanDerWaalsContact O-CG 3.27Å; T527-W531 PolarHBondContact O-N 3.28Å
528	L	91.6	Very high	84.3	Confident	1 Å²	1	55 Å²	55	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-65.2	-40.2	175.9	179.6	64.8	0	0	0	111.8	I484 L503 Q524 L525 D526 E530 W531 W532 I545	I484-L528 HydrophobicContact CD1-CD1 4.35Å; I484-L528 HydrophobicContact CG2-CD1 3.81Å; L503-L528 HydrophobicContact CD2-CD1 4.08Å; L503-L528 HydrophobicContact CD2-CD2 3.78Å; Q524-L528 PolarHBondContact O-N 3.36Å; L525-L528 PolarHBondContact O-N 3.16Å; D526-L528 VanDerWaalsContact C-N 3.35Å; D526-L528 PolarHBondContact O-N 3.34Å; L528-E530 VanDerWaalsContact C-N 3.33Å; L528-W531 HydrophobicContact CD1-CE3 4.08Å; L528-W531 PolarHBondContact O-N 3.49Å; L528-W532 WeakPolarHBondContact O-CB 3.38Å; L528-W532 PolarHBondContact O-N 3.04Å; L528-I545 HydrophobicContact CD2-CD1 3.64Å; L528-I545 HydrophobicContact CD2-CG1 4.48Å
529	L	91	Very high	84.2	Confident	9 Å²	9	57.1 Å²	57.1	5%	0.047	34%	0.339	C	S	.	.	H	α-helix	trans	-69.5	-30.2	177.4	-68.1	178.2	0	0	0	112.6	L525 D526 R533 V562 Q565 V567	L525-L529 HydrophobicContact CD1-CD1 4.27Å; L525-L529 HydrophobicContact CD1-CD2 4.46Å; L525-L529 HydrophobicContact CD1-CG 4.09Å; L525-L529 HydrophobicContact CD2-CD1 4.39Å; L525-L529 HydrophobicContact CG-CD1 3.88Å; L525-L529 HydrophobicContact CG-CG 4.14Å; L525-L529 VanDerWaalsContact O-CG 3.27Å; L525-L529 WeakPolarHBondContact O-CG 3.49Å; L525-L529 PolarHBondContact O-N 3.43Å; D526-L529 CarbonylContact O-C 3.53Å; D526-L529 PolarHBondContact O-N 3.04Å; L529-R533 WeakPolarHBondContact O-CB 3.4Å; L529-R533 PolarHBondContact O-N 3.26Å; L529-V562 HydrophobicContact CD1-CG1 4.45Å; L529-V562 HydrophobicContact CD1-CG2 3.55Å; L529-Q565 PolarHBondContact O-NE2 3.09Å; L529-Q565 VanDerWaalsContact O-NE2 3.1Å; L529-V567 HydrophobicContact CD2-CB 4.4Å; L529-V567 HydrophobicContact CD2-CG1 4.08Å; L529-V567 HydrophobicContact CD2-CG2 3.86Å
530	E	90.7	Very high	84.5	Confident	123 Å²	123	54.7 Å²	54.7	58%	0.575	31%	0.309	S	S	*	.	H	α-helix	trans	-66.2	-47.4	170.2	-77.1	178.2	177.8	0	0	111	D526 T527 L528 W532 R533 E534	D526-E530 WeakPolarHBondContact O-CG 3.26Å; D526-E530 PolarHBondContact O-N 3.41Å; T527-E530 WeakPolarHBondContact O-CB 3.29Å; T527-E530 PolarHBondContact O-N 3.18Å; L528-E530 VanDerWaalsContact C-N 3.33Å; E530-W532 VanDerWaalsContact C-N 3.27Å; E530-W532 PolarHBondContact O-N 2.89Å; E530-R533 WeakPolarHBondContact O-CB 3.44Å; E530-R533 PolarHBondContact O-N 2.9Å; E530-R533 VanDerWaalsContact O-N 3.08Å; E530-E534 WeakPolarHBondContact O-CB 3.23Å; E530-E534 PolarHBondContact O-N 3.47Å
531	W	91.6	Very high	85.3	Confident	17 Å²	17	51.3 Å²	51.3	6%	0.064	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-40.2	174.1	-59.9	-16.7	0	0	0	111.5	F477 H481 I484 L488 L523 T527 L528 E534 K535	F477-W531 HydrophobicContact CE1-CZ2 4.3Å; F477-W531 HydrophobicContact CE2-CH2 4.12Å; F477-W531 HydrophobicContact CE2-CZ2 4.23Å; F477-W531 AromaticContact CZ-CH2 3.96Å; F477-W531 HydrophobicContact CZ-CH2 3.96Å; F477-W531 AromaticContact CZ-CZ2 3.64Å; F477-W531 HydrophobicContact CZ-CZ2 3.64Å; H481-W531 HydrophobicContact CB-CH2 3.88Å; H481-W531 HydrophobicContact CB-CZ2 4.1Å; H481-W531 AromaticContact CD2-CD2 3.91Å; H481-W531 AromaticContact CD2-CE2 3.32Å; H481-W531 AromaticContact CD2-CH2 3.72Å; H481-W531 AromaticContact CD2-CZ2 3.21Å; H481-W531 WeakPolarHBondContact CD2-CZ2 3.27Å; H481-W531 AromaticContact CD2-NE1 3.73Å; H481-W531 AromaticContact CG-CZ2 3.88Å; H481-W531 AromaticContact NE2-CE2 3.9Å; H481-W531 AromaticContact NE2-NE1 3.8Å; I484-W531 HydrophobicContact CB-CE3 4.41Å; I484-W531 HydrophobicContact CB-CZ3 4.39Å; I484-W531 HydrophobicContact CD1-CZ3 4.17Å; I484-W531 HydrophobicContact CG2-CE3 3.89Å; I484-W531 HydrophobicContact CG2-CZ3 4.29Å; L488-W531 HydrophobicContact CD1-CB 4.14Å; L523-W531 HydrophobicContact CD1-CH2 3.5Å; L523-W531 VanDerWaalsContact CD1-CH2 3.5Å; L523-W531 HydrophobicContact CD1-CZ2 4.3Å; L523-W531 HydrophobicContact CD1-CZ3 3.72Å; L523-W531 HydrophobicContact CD2-CZ3 4.45Å; T527-W531 HydrophobicContact CG2-CD2 4.44Å; T527-W531 HydrophobicContact CG2-CH2 4.24Å; T527-W531 HydrophobicContact CG2-CZ2 3.52Å; T527-W531 VanDerWaalsContact O-CG 3.27Å; T527-W531 PolarHBondContact O-N 3.28Å; L528-W531 HydrophobicContact CD1-CE3 4.08Å; L528-W531 PolarHBondContact O-N 3.49Å; W531-E534 PolarHBondContact O-N 3.29Å; W531-K535 WeakPolarHBondContact O-CG 3.44Å; W531-K535 PolarHBondContact O-N 2.66Å; W531-K535 VanDerWaalsContact O-N 3.11Å
532	W	90.4	Very high	85.9	Confident	5 Å²	5	48 Å²	48	2%	0.019	26%	0.255	C	S	.	.	H	α-helix	trans	-61.7	-43.7	172.8	179.4	-108.8	0	0	0	112	L488 Y501 L528 E530 K535 N536 L543	L488-W532 HydrophobicContact CD1-CE3 4.37Å; L488-W532 HydrophobicContact CD2-CE3 3.55Å; L488-W532 HydrophobicContact CD2-CZ3 3.75Å; L488-W532 HydrophobicContact CG-CE3 4.45Å; Y501-W532 AromaticContact CD2-CH2 3.57Å; Y501-W532 HydrophobicContact CD2-CH2 3.57Å; Y501-W532 AromaticContact CD2-CZ3 3.73Å; Y501-W532 HydrophobicContact CD2-CZ3 3.73Å; Y501-W532 HydrophobicContact CE2-CH2 4.11Å; Y501-W532 HydrophobicContact CE2-CZ3 4.28Å; Y501-W532 HydrophobicContact CG-CH2 4.18Å; Y501-W532 AromaticContact CG-CZ3 3.91Å; Y501-W532 HydrophobicContact CG-CZ3 3.91Å; L528-W532 WeakPolarHBondContact O-CB 3.38Å; L528-W532 PolarHBondContact O-N 3.04Å; E530-W532 VanDerWaalsContact C-N 3.27Å; E530-W532 PolarHBondContact O-N 2.89Å; W532-K535 PolarHBondContact O-N 2.99Å; W532-N536 HydrophobicContact CD2-CB 3.96Å; W532-N536 HydrophobicContact CE3-CB 4.06Å; W532-N536 VanDerWaalsContact CE3-ND2 3.28Å; W532-N536 HydrophobicContact CH2-CB 3.79Å; W532-N536 HydrophobicContact CZ2-CB 3.67Å; W532-N536 HydrophobicContact CZ3-CB 4Å; W532-N536 WeakPolarHBondContact CZ3-ND2 3.3Å; W532-N536 WeakPolarHBondContact O-CA 3.4Å; W532-N536 WeakPolarHBondContact O-CB 3.47Å; W532-N536 PolarHBondContact O-N 3.12Å; W532-L543 HydrophobicContact CB-CD2 4.33Å; W532-L543 HydrophobicContact CD2-CB 4.01Å; W532-L543 HydrophobicContact CD2-CD2 4.15Å; W532-L543 HydrophobicContact CE3-CB 4.15Å; W532-L543 HydrophobicContact CE3-CD1 4.43Å; W532-L543 HydrophobicContact CE3-CD2 4.23Å; W532-L543 HydrophobicContact CG-CD2 4.17Å; W532-L543 HydrophobicContact CH2-CB 4.25Å; W532-L543 HydrophobicContact CZ2-CB 4.11Å; W532-L543 HydrophobicContact CZ3-CB 4.25Å; W532-L543 HydrophobicContact CZ3-CD1 4.48Å
533	R	88.6	Confident	86.3	Confident	124 Å²	124	46.4 Å²	46.4	47%	0.468	24%	0.242	S	C	.	.	H	α-helix	trans	-62.6	-45.1	176.8	-162	-179.8	-65.4	-94.1	-2.8	111.8	L529 E530 K535 G537 Q565	L529-R533 WeakPolarHBondContact O-CB 3.4Å; L529-R533 PolarHBondContact O-N 3.26Å; E530-R533 WeakPolarHBondContact O-CB 3.44Å; E530-R533 PolarHBondContact O-N 2.9Å; E530-R533 VanDerWaalsContact O-N 3.08Å; R533-K535 VanDerWaalsContact C-N 3.31Å; R533-K535 PolarHBondContact O-N 3.3Å; R533-G537 VanDerWaalsContact O-CA 3.24Å; R533-G537 WeakPolarHBondContact O-CA 3.42Å; R533-G537 PolarHBondContact O-N 3.05Å; R533-Q565 VanDerWaalsContact CB-NE2 3.27Å
534	E	87.2	Confident	86.6	Confident	111 Å²	111	46.4 Å²	46.4	52%	0.519	24%	0.242	S	C	.	.	H	α-helix	trans	-58.9	-44.6	-179.3	-170.9	-162.4	139.2	0	0	110.5	K485 E530 W531	K485-E534 WeakPolarHBondContact CE-OE2 3.43Å; K485-E534 IonicContact NZ-OE1 2.82Å; K485-E534 PolarHBondContact NZ-OE1 3.01Å; K485-E534 IonicContact NZ-OE2 2.73Å; K485-E534 PolarHBondContact NZ-OE2 3.25Å; E530-E534 WeakPolarHBondContact O-CB 3.23Å; E530-E534 PolarHBondContact O-N 3.47Å; W531-E534 PolarHBondContact O-N 3.29Å
535	K	85	Confident	86.8	Confident	41 Å²	41	42.3 Å²	42.3	18%	0.178	22%	0.223	C	C	.	.	H	α-helix	trans	-89.7	-32.9	-174.6	-58.4	-53.2	-179.1	179.6	0	114.2	L488 E489 W531 W532 R533	L488-K535 HydrophobicContact CB-CB 4.31Å; L488-K535 HydrophobicContact CB-CG 4.37Å; E489-K535 HydrophobicContact CG-CD 3.98Å; E489-K535 HydrophobicContact CG-CG 4.38Å; E489-K535 VanDerWaalsContact OE1-CD 3.29Å; E489-K535 WeakPolarHBondContact OE1-CD 3.24Å; E489-K535 WeakPolarHBondContact OE1-CE 3.49Å; E489-K535 IonicContact OE1-NZ 2.95Å; E489-K535 PolarHBondContact OE1-NZ 3.16Å; W531-K535 WeakPolarHBondContact O-CG 3.44Å; W531-K535 PolarHBondContact O-N 2.66Å; W531-K535 VanDerWaalsContact O-N 3.11Å; W532-K535 PolarHBondContact O-N 2.99Å; R533-K535 VanDerWaalsContact C-N 3.31Å; R533-K535 PolarHBondContact O-N 3.3Å
536	N	81.7	Confident	87	Confident	3 Å²	3	42 Å²	42	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-123.5	4.4	-170.6	-70.3	-69.2	0	0	0	114.6	L488 W532 T538 F539	L488-N536 PolarHBondContact O-ND2 3.47Å; W532-N536 HydrophobicContact CD2-CB 3.96Å; W532-N536 HydrophobicContact CE3-CB 4.06Å; W532-N536 VanDerWaalsContact CE3-ND2 3.28Å; W532-N536 HydrophobicContact CH2-CB 3.79Å; W532-N536 HydrophobicContact CZ2-CB 3.67Å; W532-N536 HydrophobicContact CZ3-CB 4Å; W532-N536 WeakPolarHBondContact CZ3-ND2 3.3Å; W532-N536 WeakPolarHBondContact O-CA 3.4Å; W532-N536 WeakPolarHBondContact O-CB 3.47Å; W532-N536 PolarHBondContact O-N 3.12Å; N536-T538 PolarHBondContact O-N 2.88Å; N536-T538 VanDerWaalsContact O-N 3.16Å; N536-F539 PolarHBondContact O-N 3.1Å
537	G	73.1	Confident	87.1	Confident	56 Å²	56	37.2 Å²	37.2	58%	0.577	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.7	-179.6	0	0	0	0	0	114.7	R533	R533-G537 VanDerWaalsContact O-CA 3.24Å; R533-G537 WeakPolarHBondContact O-CA 3.42Å; R533-G537 PolarHBondContact O-N 3.05Å
538	T	71.9	Confident	87	Confident	128 Å²	128	35.7 Å²	35.7	79%	0.785	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-9.1	175.2	53.5	0	0	0	0	113.4	N536	N536-T538 PolarHBondContact O-N 2.88Å; N536-T538 VanDerWaalsContact O-N 3.16Å
539	F	73.6	Confident	86.8	Confident	78 Å²	78	35.7 Å²	35.7	34%	0.342	19%	0.187	S	C	.	.	S	Bend	trans	-109.4	149.3	-174.8	-62.6	-77.4	0	0	0	111.1	R497 N536 S541	R497-F539 HydrophobicContact CG-CD1 4.22Å; R497-F539 HydrophobicContact CG-CE1 4.46Å; R497-F539 HydrophobicContact CG-CG 4.35Å; N536-F539 PolarHBondContact O-N 3.1Å; F539-S541 PolarHBondContact O-N 3.4Å; F539-S541 VanDerWaalsContact O-N 3.16Å
540	C	76.6	Confident	86.3	Confident	31 Å²	31	40.4 Å²	40.4	21%	0.209	21%	0.209	C	C	.	.			trans	-90.7	48.2	179	-165.1	0	0	0	0	111.4	Y628 T629	C540-Y628 VanDerWaalsContact O-CE2 3.3Å; C540-Y628 WeakPolarHBondContact O-CE2 3.5Å; C540-T629 PolarHBondContact SG-O 3.04Å
541	S	86	Confident	86	Confident	5 Å²	5	36.1 Å²	36.1	4%	0.035	19%	0.19	C	C	.	.			trans	-94.1	160.9	174.4	-63.9	0	0	0	0	110.3	H498 F539	H498-S541 WeakPolarHBondContact O-CB 3.24Å; H498-S541 PolarHBondContact O-OG 3.35Å; F539-S541 PolarHBondContact O-N 3.4Å; F539-S541 VanDerWaalsContact O-N 3.16Å
542	R	90.8	Very high	85.8	Confident	12 Å²	12	35.4 Å²	35.4	5%	0.045	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	151.8	173.7	67	179.2	180	-174.7	-0.5	112.3	D499 T500 Y501 Y566 W625 Y628 T691 Q693	D499-R542 WeakPolarHBondContact O-CG 3.27Å; D499-R542 PolarHBondContact O-N 3.38Å; T500-R542 WeakPolarHBondContact CA-O 3.4Å; T500-R542 HydrophobicContact CG2-CG 4.09Å; T500-R542 PolarHBondContact OG1-NE 3.25Å; T500-R542 PolarHBondContact OG1-NH2 2.85Å; Y501-R542 PolarHBondContact N-O 3.27Å; R542-Y566 CarbonylContact C-O 3.44Å; R542-Y566 VanDerWaalsContact CA-O 3.25Å; R542-Y566 WeakPolarHBondContact CA-O 3.39Å; R542-Y566 WeakPolarHBondContact CB-O 3.43Å; R542-W625 HydrophobicContact CB-CZ3 4.24Å; R542-Y628 HydrophobicContact CB-CD2 3.97Å; R542-Y628 HydrophobicContact CB-CE2 3.79Å; R542-Y628 HydrophobicContact CG-CD2 4.38Å; R542-Y628 HydrophobicContact CG-CE1 4.29Å; R542-Y628 HydrophobicContact CG-CE2 3.9Å; R542-T691 PolarHBondContact NH1-O 3.34Å; R542-T691 PolarHBondContact NH2-O 2.71Å; R542-Q693 VanDerWaalsContact NH2-CG 3.27Å
543	L	92.8	Very high	85.6	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.2	178	-179.2	65	0	0	0	109.9	Y501 L503 W532 I545 Y566 V567 A568	Y501-L543 CarbonylContact O-C 3.57Å; Y501-L543 WeakPolarHBondContact O-CA 3.42Å; L503-L543 HydrophobicContact CB-CD1 4.46Å; W532-L543 HydrophobicContact CB-CD2 4.33Å; W532-L543 HydrophobicContact CD2-CB 4.01Å; W532-L543 HydrophobicContact CD2-CD2 4.15Å; W532-L543 HydrophobicContact CE3-CB 4.15Å; W532-L543 HydrophobicContact CE3-CD1 4.43Å; W532-L543 HydrophobicContact CE3-CD2 4.23Å; W532-L543 HydrophobicContact CG-CD2 4.17Å; W532-L543 HydrophobicContact CH2-CB 4.25Å; W532-L543 HydrophobicContact CZ2-CB 4.11Å; W532-L543 HydrophobicContact CZ3-CB 4.25Å; W532-L543 HydrophobicContact CZ3-CD1 4.48Å; L543-I545 HydrophobicContact CD2-CD1 4.11Å; L543-I545 HydrophobicContact CD2-CG1 4.14Å; L543-I545 HydrophobicContact CG-CG1 4.02Å; L543-Y566 PolarHBondContact N-O 3.38Å; L543-V567 HydrophobicContact CB-CG1 4.37Å; L543-V567 HydrophobicContact CB-CG2 4.31Å; L543-V567 HydrophobicContact CD2-CG1 4.42Å; L543-V567 HydrophobicContact CG-CG1 4.49Å; L543-V567 CarbonylContact O-C 3.58Å; L543-V567 VanDerWaalsContact O-CA 3.27Å; L543-V567 WeakPolarHBondContact O-CA 3.26Å; L543-A568 PolarHBondContact O-N 2.92Å
544	I	94.4	Very high	85.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.8	172.7	-59.9	177.7	0	0	0	107.2	T500 Y501 I502 L503 V546 A568 W625 T691 F695 L697	T500-I544 HydrophobicContact CG2-CD1 3.74Å; T500-I544 HydrophobicContact CG2-CG1 4.17Å; Y501-I544 PolarHBondContact O-N 3.46Å; I502-I544 CarbonylContact C-O 3.59Å; I502-I544 VanDerWaalsContact CA-O 3.31Å; I502-I544 WeakPolarHBondContact CA-O 3.39Å; I502-I544 HydrophobicContact CG1-CB 4.39Å; L503-I544 PolarHBondContact N-O 2.87Å; I544-V546 HydrophobicContact CG2-CG2 4.23Å; I544-A568 WeakPolarHBondContact CA-O 3.39Å; I544-A568 HydrophobicContact CG1-CB 4.47Å; I544-W625 HydrophobicContact CD1-CH2 4.07Å; I544-W625 HydrophobicContact CG1-CH2 3.85Å; I544-W625 HydrophobicContact CG1-CZ3 4.44Å; I544-T691 HydrophobicContact CD1-CG2 3.96Å; I544-F695 HydrophobicContact CD1-CE2 4.18Å; I544-F695 HydrophobicContact CD1-CZ 3.95Å; I544-L697 HydrophobicContact CG2-CD2 4.07Å
545	I	95	Very high	85.9	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.5	178.1	-52.7	172.6	0	0	0	107.3	L503 W515 L525 L528 L543 L547 W555 V567 A568 V569 Q570	L503-I545 CarbonylContact O-C 3.51Å; L503-I545 WeakPolarHBondContact O-CA 3.5Å; W515-I545 HydrophobicContact CZ2-CG2 4.44Å; L525-I545 HydrophobicContact CD1-CD1 3.99Å; L528-I545 HydrophobicContact CD2-CD1 3.64Å; L528-I545 HydrophobicContact CD2-CG1 4.48Å; L543-I545 HydrophobicContact CD2-CD1 4.11Å; L543-I545 HydrophobicContact CD2-CG1 4.14Å; L543-I545 HydrophobicContact CG-CG1 4.02Å; I545-L547 HydrophobicContact CG2-CD2 3.63Å; I545-L547 HydrophobicContact CG2-CG 3.97Å; I545-W555 HydrophobicContact CG2-CZ3 4.44Å; I545-V567 HydrophobicContact CD1-CG1 4.33Å; I545-A568 PolarHBondContact N-O 3.24Å; I545-V569 HydrophobicContact CB-CG2 4.27Å; I545-V569 HydrophobicContact CD1-CG2 4.3Å; I545-V569 CarbonylContact O-C 3.58Å; I545-V569 WeakPolarHBondContact O-CA 3.38Å; I545-Q570 PolarHBondContact O-N 2.86Å
546	V	94.4	Very high	86.1	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.9	176.1	-176	0	0	0	0	107.8	I502 L503 Y504 Y505 I544 Q570 F591 W595	I502-V546 HydrophobicContact CG2-CG2 4.4Å; L503-V546 PolarHBondContact O-N 3.27Å; Y504-V546 WeakPolarHBondContact CA-O 3.19Å; Y504-V546 HydrophobicContact CD2-CB 4.05Å; Y504-V546 HydrophobicContact CD2-CG1 3.9Å; Y504-V546 HydrophobicContact CE2-CG1 4.39Å; Y505-V546 PolarHBondContact N-O 3.42Å; I544-V546 HydrophobicContact CG2-CG2 4.23Å; V546-Q570 WeakPolarHBondContact CA-O 3.13Å; V546-Q570 HydrophobicContact CG1-CB 4.48Å; V546-Q570 HydrophobicContact CG1-CG 4.45Å; V546-Q570 HydrophobicContact CG2-CB 4.34Å; V546-F591 HydrophobicContact CG1-CE1 4.09Å; V546-W595 HydrophobicContact CG1-CZ3 4.43Å; V546-W595 HydrophobicContact CG2-CH2 4.12Å; V546-W595 HydrophobicContact CG2-CZ2 4.39Å
547	L	92.3	Very high	86.5	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.4	-174.3	-57.8	175.1	0	0	0	110.1	Y505 W515 I545 W555 V569 Q570	Y505-L547 HydrophobicContact CD1-CD2 4.25Å; Y505-L547 WeakPolarHBondContact O-CA 3.46Å; W515-L547 HydrophobicContact CZ2-CD2 3.67Å; I545-L547 HydrophobicContact CG2-CD2 3.63Å; I545-L547 HydrophobicContact CG2-CG 3.97Å; L547-W555 HydrophobicContact CD1-CB 3.99Å; L547-W555 HydrophobicContact CD1-CD2 4.08Å; L547-W555 HydrophobicContact CD1-CE3 3.63Å; L547-W555 HydrophobicContact CD1-CG 4.28Å; L547-W555 HydrophobicContact CD1-CZ3 4.45Å; L547-W555 HydrophobicContact CD2-CE3 4.09Å; L547-W555 HydrophobicContact CD2-CZ3 4.1Å; L547-W555 HydrophobicContact CG-CE3 4.43Å; L547-V569 HydrophobicContact CD1-CG1 3.68Å; L547-V569 HydrophobicContact CG-CG1 4.26Å; L547-Q570 PolarHBondContact N-O 3.4Å
548	D	89.3	Confident	87.3	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	82.1	164.1	-162	-13.8	0	0	0	108.3	Y504 Y505 S506 M574 L588 G589 F591 T592	Y504-D548 HydrophobicContact CE2-CB 4.43Å; Y505-D548 PolarHBondContact O-N 3.22Å; S506-D548 WeakPolarHBondContact CA-O 3.42Å; D548-M574 VanDerWaalsContact OD1-CE 3.26Å; D548-M574 WeakPolarHBondContact OD1-CE 3.28Å; D548-L588 WeakPolarHBondContact O-CD2 3.41Å; D548-G589 WeakPolarHBondContact OD2-CA 3.27Å; D548-G589 PolarHBondContact OD2-N 3.37Å; D548-G589 VanDerWaalsContact OD2-N 3.07Å; D548-F591 HydrophobicContact CB-CD1 4.15Å; D548-T592 WeakPolarHBondContact CB-OG1 3.43Å; D548-T592 VanDerWaalsContact OD2-CB 3.28Å; D548-T592 WeakPolarHBondContact OD2-CB 3.41Å; D548-T592 PolarHBondContact OD2-N 2.88Å; D548-T592 PolarHBondContact OD2-OG1 2.98Å
549	C	86.7	Confident	88.1	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.014	13%	0.133	C	C	.	.	S	Bend	trans	-142	152.8	-175.9	-44.3	0	0	0	0	110.1	Y505 N551	Y505-C549 WeakPolarHBondContact CD1-SG 3.38Å; Y505-C549 WeakPolarHBondContact CE1-SG 3.2Å; C549-N551 VanDerWaalsContact C-N 3.31Å; C549-N551 PolarHBondContact O-N 3.1Å
550	E	80.4	Confident	88.8	Confident	108 Å²	108	29.1 Å²	29.1	51%	0.505	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-39.2	178.8	-66.3	179.7	-177.5	0	0	112.7	L588	E550-L588 HydrophobicContact CG-CD2 4.5Å
551	N	84.3	Confident	89.4	Confident	33 Å²	33	33.6 Å²	33.6	18%	0.176	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	56.9	-177	-60.9	-51.9	0	0	0	112.3	S509 H510 G513 C549 P554	S509-N551 PolarHBondContact O-ND2 3.24Å; S509-N551 VanDerWaalsContact O-ND2 3.11Å; S509-N551 WeakPolarHBondContact OG-CB 3.36Å; S509-N551 PolarHBondContact OG-N 3.02Å; H510-N551 WeakPolarHBondContact O-CB 3.44Å; H510-N551 PolarHBondContact O-ND2 3.38Å; G513-N551 VanDerWaalsContact CA-O 3.24Å; G513-N551 WeakPolarHBondContact CA-O 3.21Å; C549-N551 VanDerWaalsContact C-N 3.31Å; C549-N551 PolarHBondContact O-N 3.1Å; N551-P554 WeakPolarHBondContact O-CD 3.5Å
552	S	86.3	Confident	89.4	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.007	16%	0.157	C	C	.	.			trans	-81.1	-19.7	179	74.3	0	0	0	0	114.9	P554 W555 V556 G571 A572	S552-P554 VanDerWaalsContact C-CD 3.48Å; S552-W555 PolarHBondContact O-N 3.16Å; S552-V556 PolarHBondContact O-N 3.3Å; S552-G571 WeakPolarHBondContact OG-CA 3.33Å; S552-A572 PolarHBondContact OG-N 3.02Å; S552-A572 PolarHBondContact OG-O 3.34Å
553	Q	87.8	Confident	88.9	Confident	46 Å²	46	37.1 Å²	37.1	22%	0.215	17%	0.173	C	C	.	.	H	α-helix	trans	-58.2	-40.3	-175.9	-73.2	-73.7	-6.3	0	0	115.5	W555 V556 K557 E573 V618	Q553-W555 VanDerWaalsContact C-N 3.34Å; Q553-W555 PolarHBondContact O-N 2.85Å; Q553-V556 PolarHBondContact O-N 3.1Å; Q553-K557 PolarHBondContact O-N 2.88Å; Q553-K557 VanDerWaalsContact O-N 3.11Å; Q553-E573 PolarHBondContact NE2-OE2 2.85Å; Q553-V618 VanDerWaalsContact NE2-CG1 3.29Å; Q553-V618 VanDerWaalsContact NE2-CG2 3.26Å
554	P	90.3	Very high	88.2	Confident	36 Å²	36	42.9 Å²	42.9	23%	0.234	20%	0.204	C	C	.	.	H	α-helix	trans	-57.2	-45.8	177.9	-26.2	36.9	0	0	0	112.2	T512 N551 S552 V556 K557 E558	T512-P554 WeakPolarHBondContact O-CB 3.31Å; N551-P554 WeakPolarHBondContact O-CD 3.5Å; S552-P554 VanDerWaalsContact C-CD 3.48Å; P554-V556 VanDerWaalsContact C-N 3.33Å; P554-V556 PolarHBondContact O-N 3.08Å; P554-K557 PolarHBondContact O-N 2.61Å; P554-K557 VanDerWaalsContact O-N 3.09Å; P554-E558 WeakPolarHBondContact O-CG 3.5Å; P554-E558 PolarHBondContact O-N 2.9Å
555	W	91.6	Very high	87.7	Confident	6 Å²	6	43.3 Å²	43.3	2%	0.023	21%	0.205	C	C	.	.	H	α-helix	trans	-65.5	-36.1	179.6	-73.8	25.4	0	0	0	112.4	G513 W515 L525 I545 L547 S552 Q553 K557 E558 V559 V569	G513-W555 VanDerWaalsContact C-NE1 3.27Å; G513-W555 PolarHBondContact O-NE1 2.98Å; W515-W555 AromaticContact CD1-CH2 3.44Å; W515-W555 VanDerWaalsContact CD1-CH2 3.44Å; W515-W555 AromaticContact CD1-CZ2 3.62Å; W515-W555 AromaticContact CD2-CH2 3.81Å; W515-W555 HydrophobicContact CD2-CH2 3.81Å; W515-W555 HydrophobicContact CD2-CZ3 4.42Å; W515-W555 AromaticContact CE2-CH2 3.21Å; W515-W555 AromaticContact CE2-CZ3 3.41Å; W515-W555 VanDerWaalsContact CE2-CZ3 3.41Å; W515-W555 AromaticContact CG-CH2 3.93Å; W515-W555 HydrophobicContact CG-CH2 3.93Å; W515-W555 HydrophobicContact CG-CZ2 4.26Å; W515-W555 AromaticContact CZ2-CH2 3.7Å; W515-W555 HydrophobicContact CZ2-CH2 3.7Å; W515-W555 AromaticContact CZ2-CZ3 3.47Å; W515-W555 HydrophobicContact CZ2-CZ3 3.47Å; W515-W555 VanDerWaalsContact CZ2-CZ3 3.47Å; W515-W555 AromaticContact NE1-CE3 3.98Å; W515-W555 AromaticContact NE1-CH2 2.97Å; W515-W555 AromaticContact NE1-CZ2 3.58Å; W515-W555 AromaticContact NE1-CZ3 3.21Å; L525-W555 HydrophobicContact CB-CD2 3.93Å; L525-W555 HydrophobicContact CB-CE3 4.38Å; L525-W555 HydrophobicContact CB-CG 4.2Å; L525-W555 HydrophobicContact CB-CZ2 4.2Å; L525-W555 HydrophobicContact CD1-CD2 4.17Å; L525-W555 HydrophobicContact CD1-CE3 3.85Å; L525-W555 HydrophobicContact CD1-CZ3 4.18Å; L525-W555 HydrophobicContact CD2-CB 4.16Å; L525-W555 HydrophobicContact CD2-CD2 4.47Å; L525-W555 HydrophobicContact CD2-CG 4.16Å; L525-W555 HydrophobicContact CG-CD2 4.41Å; I545-W555 HydrophobicContact CG2-CZ3 4.44Å; L547-W555 HydrophobicContact CD1-CB 3.99Å; L547-W555 HydrophobicContact CD1-CD2 4.08Å; L547-W555 HydrophobicContact CD1-CE3 3.63Å; L547-W555 HydrophobicContact CD1-CG 4.28Å; L547-W555 HydrophobicContact CD1-CZ3 4.45Å; L547-W555 HydrophobicContact CD2-CE3 4.09Å; L547-W555 HydrophobicContact CD2-CZ3 4.1Å; L547-W555 HydrophobicContact CG-CE3 4.43Å; S552-W555 PolarHBondContact O-N 3.16Å; Q553-W555 VanDerWaalsContact C-N 3.34Å; Q553-W555 PolarHBondContact O-N 2.85Å; W555-K557 VanDerWaalsContact C-N 3.27Å; W555-K557 PolarHBondContact O-N 3.37Å; W555-E558 PolarHBondContact O-N 3.18Å; W555-V559 PolarHBondContact O-N 3.44Å; W555-V569 HydrophobicContact CB-CG1 4.23Å
556	V	89.3	Confident	87.4	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-31.3	174.4	172.6	0	0	0	0	112.3	S552 Q553 P554 V559 V569 V618 Y619	S552-V556 PolarHBondContact O-N 3.3Å; Q553-V556 PolarHBondContact O-N 3.1Å; P554-V556 VanDerWaalsContact C-N 3.33Å; P554-V556 PolarHBondContact O-N 3.08Å; V556-V559 WeakPolarHBondContact O-CG1 3.38Å; V556-V569 HydrophobicContact CG2-CB 4.33Å; V556-V569 HydrophobicContact CG2-CG1 3.78Å; V556-V618 HydrophobicContact CG1-CB 4.44Å; V556-V618 HydrophobicContact CG1-CG2 4.47Å; V556-V618 HydrophobicContact CG2-CG2 4.11Å; V556-Y619 VanDerWaalsContact CG1-C 3.46Å
557	K	89.6	Confident	87.3	Confident	129 Å²	129	45.8 Å²	45.8	56%	0.561	22%	0.215	S	C	*	.	H	α-helix	trans	-80.6	-44.1	175.8	-69.2	175.6	-176.3	175.3	0	111.7	Q553 P554 W555 R560	Q553-K557 PolarHBondContact O-N 2.88Å; Q553-K557 VanDerWaalsContact O-N 3.11Å; P554-K557 PolarHBondContact O-N 2.61Å; P554-K557 VanDerWaalsContact O-N 3.09Å; W555-K557 VanDerWaalsContact C-N 3.27Å; W555-K557 PolarHBondContact O-N 3.37Å; K557-R560 WeakPolarHBondContact O-CB 3.35Å; K557-R560 PolarHBondContact O-N 3.1Å
558	E	90.1	Very high	87.3	Confident	81 Å²	81	45.7 Å²	45.7	38%	0.379	22%	0.215	S	C	.	.	H	α-helix	trans	-66.6	-37.3	-178.2	-69.1	-48.6	128.9	0	0	112.6	L525 P554 W555 R560 K561	L525-E558 HydrophobicContact CD2-CB 3.97Å; P554-E558 WeakPolarHBondContact O-CG 3.5Å; P554-E558 PolarHBondContact O-N 2.9Å; W555-E558 PolarHBondContact O-N 3.18Å; E558-R560 PolarHBondContact O-N 3.13Å; E558-K561 WeakPolarHBondContact O-CB 3.37Å; E558-K561 PolarHBondContact O-N 3.4Å; E558-K561 IonicContact OE1-NZ 2.68Å; E558-K561 PolarHBondContact OE1-NZ 2.8Å; E558-K561 WeakPolarHBondContact OE2-CD 3.49Å; E558-K561 WeakPolarHBondContact OE2-CE 3.4Å; E558-K561 IonicContact OE2-NZ 3.33Å; E558-K561 PolarHBondContact OE2-NZ 2.75Å
559	V	89.4	Confident	87.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-58.3	-27.6	177.9	75.6	0	0	0	0	113	W555 V556 K561 V562 V567 V569 G620 S622	W555-V559 PolarHBondContact O-N 3.44Å; V556-V559 WeakPolarHBondContact O-CG1 3.38Å; V559-K561 PolarHBondContact O-N 3.43Å; V559-V562 WeakPolarHBondContact O-CB 3.33Å; V559-V562 PolarHBondContact O-N 3.43Å; V559-V567 HydrophobicContact CG2-CB 3.96Å; V559-V567 HydrophobicContact CG2-CG1 3.86Å; V559-V569 HydrophobicContact CB-CB 4.5Å; V559-V569 HydrophobicContact CB-CG2 3.8Å; V559-V569 HydrophobicContact CG1-CB 4.13Å; V559-V569 HydrophobicContact CG1-CG2 3.98Å; V559-V569 HydrophobicContact CG2-CG2 3.95Å; V559-G620 VanDerWaalsContact CG1-C 3.47Å; V559-S622 WeakPolarHBondContact O-CA 3.22Å
560	R	87.8	Confident	87.9	Confident	115 Å²	115	45.6 Å²	45.6	43%	0.434	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-69.2	-21.3	177.8	-60.7	178.8	-176.9	-171.3	-1.1	112.9	K557 E558 Y619 V621 K623	K557-R560 WeakPolarHBondContact O-CB 3.35Å; K557-R560 PolarHBondContact O-N 3.1Å; E558-R560 PolarHBondContact O-N 3.13Å; R560-Y619 PolarHBondContact NH2-O 3.01Å; R560-Y619 VanDerWaalsContact NH2-O 3.17Å; R560-V621 WeakPolarHBondContact CA-O 3.37Å; R560-K623 WeakPolarHBondContact O-CG 3.2Å
561	K	88.8	Confident	88.4	Confident	125 Å²	125	40.5 Å²	40.5	54%	0.543	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-86.1	-19.9	177.7	-57.8	-177.6	-163.8	155.1	0	112.3	E558 V559 N563	E558-K561 WeakPolarHBondContact O-CB 3.37Å; E558-K561 PolarHBondContact O-N 3.4Å; E558-K561 IonicContact OE1-NZ 2.68Å; E558-K561 PolarHBondContact OE1-NZ 2.8Å; E558-K561 WeakPolarHBondContact OE2-CD 3.49Å; E558-K561 WeakPolarHBondContact OE2-CE 3.4Å; E558-K561 IonicContact OE2-NZ 3.33Å; E558-K561 PolarHBondContact OE2-NZ 2.75Å; V559-K561 PolarHBondContact O-N 3.43Å; K561-N563 PolarHBondContact O-N 2.89Å; K561-N563 PolarHBondContact O-OD1 3.19Å
562	V	86.3	Confident	88.6	Confident	20 Å²	20	38.9 Å²	38.9	12%	0.121	18%	0.182	C	C	.	.			trans	-62.1	125.8	-178	-179.3	0	0	0	0	110.9	L529 V559 Q565 K623	L529-V562 HydrophobicContact CD1-CG1 4.45Å; L529-V562 HydrophobicContact CD1-CG2 3.55Å; V559-V562 WeakPolarHBondContact O-CB 3.33Å; V559-V562 PolarHBondContact O-N 3.43Å; V562-Q565 HydrophobicContact CG1-CB 4.14Å; V562-K623 PolarHBondContact O-N 2.84Å
563	N	79.4	Confident	88.6	Confident	70 Å²	70	43.1 Å²	43.1	37%	0.374	20%	0.201	S	C	.	.			trans	-103.3	156.5	174.1	-57	-41.2	0	0	0	110.1	K561 Q565 K623	K561-N563 PolarHBondContact O-N 2.89Å; K561-N563 PolarHBondContact O-OD1 3.19Å; N563-Q565 PolarHBondContact O-N 3.45Å; N563-Q565 VanDerWaalsContact O-N 3.09Å; N563-K623 VanDerWaalsContact OD1-CD 3.32Å; N563-K623 WeakPolarHBondContact OD1-CD 3.44Å; N563-K623 WeakPolarHBondContact OD1-CE 3.33Å; N563-K623 PolarHBondContact OD1-NZ 3.36Å
564	D	77.9	Confident	88.3	Confident	123 Å²	123	42.2 Å²	42.2	66%	0.658	20%	0.197	S	C	*	.	S	Bend	trans	64	10.4	169.8	-45.5	-39.6	0	0	0	117.7
565	Q	84.4	Confident	87.5	Confident	8 Å²	8	42.4 Å²	42.4	4%	0.037	20%	0.202	C	C	.	.	S	Bend	trans	-132.6	151.9	175.2	-60.8	178.5	-23	0	0	111.2	L529 R533 V562 N563 V567 S622	L529-Q565 PolarHBondContact O-NE2 3.09Å; L529-Q565 VanDerWaalsContact O-NE2 3.1Å; R533-Q565 VanDerWaalsContact CB-NE2 3.27Å; V562-Q565 HydrophobicContact CG1-CB 4.14Å; N563-Q565 PolarHBondContact O-N 3.45Å; N563-Q565 VanDerWaalsContact O-N 3.09Å; Q565-V567 HydrophobicContact CB-CG2 3.93Å; Q565-S622 VanDerWaalsContact O-CB 3.28Å; Q565-S622 WeakPolarHBondContact O-CB 3.45Å; Q565-S622 PolarHBondContact O-OG 3.13Å
566	Y	89.4	Confident	86.1	Confident	55 Å²	55	53 Å²	53	22%	0.216	24%	0.242	C	C	.	.			trans	-97.8	88.3	174.8	-52.4	-67.7	0	0	0	109.7	R542 L543 H624 D627 Y628	R542-Y566 CarbonylContact C-O 3.44Å; R542-Y566 VanDerWaalsContact CA-O 3.25Å; R542-Y566 WeakPolarHBondContact CA-O 3.39Å; R542-Y566 WeakPolarHBondContact CB-O 3.43Å; L543-Y566 PolarHBondContact N-O 3.38Å; Y566-H624 WeakPolarHBondContact CD1-O 3.25Å; Y566-H624 HydrophobicContact CE1-CB 4.26Å; Y566-H624 WeakPolarHBondContact CE1-O 3.14Å; Y566-D627 HydrophobicContact CE1-CB 4.24Å; Y566-Y628 HydrophobicContact CD1-CD2 4.27Å; Y566-Y628 AromaticContact CD2-CD2 3.79Å; Y566-Y628 HydrophobicContact CD2-CD2 3.79Å; Y566-Y628 HydrophobicContact CE2-CD2 4.27Å; Y566-Y628 AromaticContact CG-CD2 3.78Å; Y566-Y628 HydrophobicContact CG-CD2 3.78Å; Y566-Y628 HydrophobicContact CG-CG 4.41Å
567	V	91.9	Very high	84.6	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.8	-176.9	-171.1	0	0	0	0	110.3	L529 L543 I545 V559 Q565 S622	L529-V567 HydrophobicContact CD2-CB 4.4Å; L529-V567 HydrophobicContact CD2-CG1 4.08Å; L529-V567 HydrophobicContact CD2-CG2 3.86Å; L543-V567 HydrophobicContact CB-CG1 4.37Å; L543-V567 HydrophobicContact CB-CG2 4.31Å; L543-V567 HydrophobicContact CD2-CG1 4.42Å; L543-V567 HydrophobicContact CG-CG1 4.49Å; L543-V567 CarbonylContact O-C 3.58Å; L543-V567 VanDerWaalsContact O-CA 3.27Å; L543-V567 WeakPolarHBondContact O-CA 3.26Å; I545-V567 HydrophobicContact CD1-CG1 4.33Å; V559-V567 HydrophobicContact CG2-CB 3.96Å; V559-V567 HydrophobicContact CG2-CG1 3.86Å; Q565-V567 HydrophobicContact CB-CG2 3.93Å; V567-S622 PolarHBondContact N-OG 3.15Å; V567-S622 PolarHBondContact O-N 2.9Å
568	A	92.9	Very high	83	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.6	169.8	0	0	0	0	0	110.2	L543 I544 I545 G620 V621 W625 L697	L543-A568 PolarHBondContact O-N 2.92Å; I544-A568 WeakPolarHBondContact CA-O 3.39Å; I544-A568 HydrophobicContact CG1-CB 4.47Å; I545-A568 PolarHBondContact N-O 3.24Å; A568-G620 CarbonylContact C-O 3.56Å; A568-G620 WeakPolarHBondContact CA-O 3.28Å; A568-V621 HydrophobicContact CB-CG1 3.99Å; A568-W625 HydrophobicContact CB-CE3 3.98Å; A568-W625 HydrophobicContact CB-CH2 3.68Å; A568-W625 HydrophobicContact CB-CZ2 4.23Å; A568-W625 HydrophobicContact CB-CZ3 3.54Å; A568-L697 HydrophobicContact CB-CD1 3.71Å
569	V	94	Very high	81.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.8	173.8	-179.4	0	0	0	0	108	I545 L547 W555 V556 V559 Y619 G620	I545-V569 HydrophobicContact CB-CG2 4.27Å; I545-V569 HydrophobicContact CD1-CG2 4.3Å; I545-V569 CarbonylContact O-C 3.58Å; I545-V569 WeakPolarHBondContact O-CA 3.38Å; L547-V569 HydrophobicContact CD1-CG1 3.68Å; L547-V569 HydrophobicContact CG-CG1 4.26Å; W555-V569 HydrophobicContact CB-CG1 4.23Å; V556-V569 HydrophobicContact CG2-CB 4.33Å; V556-V569 HydrophobicContact CG2-CG1 3.78Å; V559-V569 HydrophobicContact CB-CB 4.5Å; V559-V569 HydrophobicContact CB-CG2 3.8Å; V559-V569 HydrophobicContact CG1-CB 4.13Å; V559-V569 HydrophobicContact CG1-CG2 3.98Å; V559-V569 HydrophobicContact CG2-CG2 3.95Å; V569-Y619 CarbonylContact O-C 3.55Å; V569-Y619 WeakPolarHBondContact O-CA 3.41Å; V569-Y619 WeakPolarHBondContact O-CB 3.42Å; V569-G620 PolarHBondContact N-O 2.88Å; V569-G620 PolarHBondContact O-N 2.86Å
570	Q	93.5	Very high	79.6	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.3	166.5	179.4	71.6	54.1	0	0	107.6	I545 V546 L547 F591 V618 L697 V698	I545-Q570 PolarHBondContact O-N 2.86Å; V546-Q570 WeakPolarHBondContact CA-O 3.13Å; V546-Q570 HydrophobicContact CG1-CB 4.48Å; V546-Q570 HydrophobicContact CG1-CG 4.45Å; V546-Q570 HydrophobicContact CG2-CB 4.34Å; L547-Q570 PolarHBondContact N-O 3.4Å; Q570-F591 HydrophobicContact CG-CE1 4.38Å; Q570-F591 HydrophobicContact CG-CZ 3.69Å; Q570-V618 PolarHBondContact NE2-O 3.31Å; Q570-V618 VanDerWaalsContact NE2-O 3.12Å; Q570-L697 HydrophobicContact CB-CD2 4.2Å; Q570-V698 PolarHBondContact NE2-O 3.38Å; Q570-V698 PolarHBondContact OE1-O 3.04Å
571	G	91.4	Very high	77.8	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	176.7	176	0	0	0	0	0	112	S552 V618	S552-G571 WeakPolarHBondContact OG-CA 3.33Å; G571-V618 PolarHBondContact N-O 2.95Å; G571-V618 PolarHBondContact O-N 2.87Å
572	A	88.8	Confident	76.1	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.8	176.9	0	0	0	0	0	111	S552 F591 V615 K616	S552-A572 PolarHBondContact OG-N 3.02Å; S552-A572 PolarHBondContact OG-O 3.34Å; A572-F591 HydrophobicContact CB-CB 3.59Å; A572-F591 HydrophobicContact CB-CD1 3.94Å; A572-F591 HydrophobicContact CB-CD2 3.64Å; A572-F591 HydrophobicContact CB-CE2 4.35Å; A572-F591 HydrophobicContact CB-CG 3.41Å; A572-F591 VanDerWaalsContact CB-CG 3.41Å; A572-V615 HydrophobicContact CB-CG1 4.47Å; A572-K616 CarbonylContact C-O 3.55Å; A572-K616 WeakPolarHBondContact CA-O 3.42Å
573	E	85.1	Confident	74.6	Confident	89 Å²	89	70.8 Å²	70.8	42%	0.416	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.6	168	-176.8	179.9	171.6	0	0	108.4	Q553 K616	Q553-E573 PolarHBondContact NE2-OE2 2.85Å; E573-K616 HydrophobicContact CB-CB 4.27Å; E573-K616 PolarHBondContact N-O 3.35Å; E573-K616 PolarHBondContact O-N 3.48Å
574	M	81.4	Confident	73.7	Confident	28 Å²	28	74.1 Å²	74.1	14%	0.138	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.1	179.7	-63.7	178.5	-175.2	0	0	109.1	D548 R576 P586 L588	D548-M574 VanDerWaalsContact OD1-CE 3.26Å; D548-M574 WeakPolarHBondContact OD1-CE 3.28Å; M574-R576 PolarHBondContact O-N 3.27Å; M574-P586 HydrophobicContact CB-CB 4.15Å; M574-P586 HydrophobicContact CB-CG 3.89Å; M574-P586 HydrophobicContact CG-CB 4.29Å; M574-L588 HydrophobicContact CE-CD2 4.05Å
575	A	74.9	Confident	73.2	Confident	40 Å²	40	71.8 Å²	71.8	33%	0.331	37%	0.367	S	S	.	.			trans	-64.1	124	176.2	0	0	0	0	0	110.5	V577 V578 P586 T614	A575-V577 VanDerWaalsContact C-N 3.32Å; A575-V578 HydrophobicContact CB-CG2 4.22Å; A575-P586 HydrophobicContact CB-CG 4.47Å; A575-P586 WeakPolarHBondContact O-CG 3.49Å; A575-T614 WeakPolarHBondContact CB-O 3.3Å; A575-T614 PolarHBondContact N-O 2.88Å
576	R	62.8	Low	72.6	Confident	229 Å²	229	72.3 Å²	72.3	86%	0.864	37%	0.371	S	S	*	.	S	Bend	trans	-76.8	-16.8	-179.8	-68.1	-175.8	177.2	-175.3	-2.4	114.1	M574	M574-R576 PolarHBondContact O-N 3.27Å
577	V	56.5	Low	71.9	Confident	133 Å²	133	73.1 Å²	73.1	81%	0.806	38%	0.377	S	S	*	.			trans	-135.3	114.5	-178.8	-176	0	0	0	0	107	A575	A575-V577 VanDerWaalsContact C-N 3.32Å
578	V	57.3	Low	71.4	Confident	31 Å²	31	74 Å²	74	19%	0.188	38%	0.382	C	S	.	.			trans	-121.7	137	170.6	-175.8	0	0	0	0	105.8	A575 I580 A583 T614	A575-V578 HydrophobicContact CB-CG2 4.22Å; V578-I580 PolarHBondContact O-N 3.44Å; V578-I580 VanDerWaalsContact O-N 3.16Å; V578-A583 HydrophobicContact CG1-CB 4.1Å; V578-A583 WeakPolarHBondContact CG1-O 3.4Å; V578-T614 HydrophobicContact CG1-CG2 4.36Å; V578-T614 HydrophobicContact CG2-CG2 4.09Å
579	D	51.9	Low	70.8	Confident	117 Å²	117	74.3 Å²	74.3	63%	0.626	39%	0.385	S	S	*	.			trans	-63.9	115.9	172.9	-129.5	-26.7	0	0	0	107.7	E581 E582 A583	D579-E581 PolarHBondContact O-N 3.12Å; D579-E582 PolarHBondContact O-N 2.66Å; D579-A583 PolarHBondContact O-N 2.84Å
580	I	54.8	Low	70.4	Confident	156 Å²	156	76 Å²	76	80%	0.8	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.6	-170.4	-61.9	166.6	0	0	0	111.1	V578	V578-I580 PolarHBondContact O-N 3.44Å; V578-I580 VanDerWaalsContact O-N 3.16Å
581	E	49.9	Very low	70.2	Confident	190 Å²	190	76 Å²	76	89%	0.888	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-19.7	176.2	-62.2	-170.4	166.7	0	0	113.9	D579	D579-E581 PolarHBondContact O-N 3.12Å
582	E	52.6	Low	70.2	Confident	173 Å²	173	76 Å²	76	81%	0.808	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-33.8	-176.5	-74.8	-169	158.1	0	0	114.2	D579	D579-E582 PolarHBondContact O-N 2.66Å
583	A	55.4	Low	70.2	Confident	44 Å²	44	83.6 Å²	83.6	36%	0.364	42%	0.423	S	S	.	.			trans	-164.8	153.6	178.8	0	0	0	0	0	113.7	V578 D579	V578-A583 HydrophobicContact CG1-CB 4.1Å; V578-A583 WeakPolarHBondContact CG1-O 3.4Å; D579-A583 PolarHBondContact O-N 2.84Å
584	D	60	Low	70.4	Confident	140 Å²	140	81.1 Å²	81.1	75%	0.749	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-60.3	144.6	169.5	-69.6	-37.9	0	0	0	111.4
585	P	67.5	Low	70.8	Confident	75 Å²	75	79.8 Å²	79.8	49%	0.487	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-61.6	141.9	177.3	26.2	-34.1	0	0	0	110.5	Q587	P585-Q587 WeakPolarHBondContact O-CG 3.39Å; P585-Q587 PolarHBondContact O-N 2.8Å
586	P	71.9	Confident	71.6	Confident	18 Å²	18	78.1 Å²	78.1	12%	0.117	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-62	134	179.9	25.8	-34.5	0	0	0	110.4	M574 A575 V615	M574-P586 HydrophobicContact CB-CB 4.15Å; M574-P586 HydrophobicContact CB-CG 3.89Å; M574-P586 HydrophobicContact CG-CB 4.29Å; A575-P586 HydrophobicContact CB-CG 4.47Å; A575-P586 WeakPolarHBondContact O-CG 3.49Å; P586-V615 HydrophobicContact CB-CG2 3.76Å
587	Q	76.3	Confident	72.8	Confident	73 Å²	73	70 Å²	70	34%	0.341	36%	0.362	S	S	.	.			trans	-121.8	162.7	-177.8	-46	-165.1	13.5	0	0	111.4	P585 G589 D590	P585-Q587 WeakPolarHBondContact O-CG 3.39Å; P585-Q587 PolarHBondContact O-N 2.8Å; Q587-G589 PolarHBondContact O-N 2.79Å; Q587-D590 PolarHBondContact N-OD2 3.07Å; Q587-D590 WeakPolarHBondContact O-CB 3.47Å; Q587-D590 PolarHBondContact O-N 2.94Å; Q587-D590 VanDerWaalsContact O-N 3.09Å
588	L	79.6	Confident	74.3	Confident	18 Å²	18	66 Å²	66	9%	0.094	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	129.8	176.2	-70.1	162.9	0	0	0	110.8	T423 R446 D548 E550 M574	T423-L588 HydrophobicContact CG2-CD1 3.28Å; T423-L588 WeakPolarHBondContact OG1-CD1 3.47Å; R446-L588 WeakPolarHBondContact CD-O 3.43Å; D548-L588 WeakPolarHBondContact O-CD2 3.41Å; E550-L588 HydrophobicContact CG-CD2 4.5Å; M574-L588 HydrophobicContact CE-CD2 4.05Å
589	G	81.8	Confident	75.8	Confident	7 Å²	7	65.1 Å²	65.1	7%	0.072	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.7	-18.8	-174.3	0	0	0	0	0	114.8	M450 D548 Q587 T592 R593	M450-G589 WeakPolarHBondContact SD-CA 3.32Å; D548-G589 WeakPolarHBondContact OD2-CA 3.27Å; D548-G589 PolarHBondContact OD2-N 3.37Å; D548-G589 VanDerWaalsContact OD2-N 3.07Å; Q587-G589 PolarHBondContact O-N 2.79Å; G589-T592 PolarHBondContact O-N 2.87Å; G589-R593 WeakPolarHBondContact O-CB 3.47Å; G589-R593 PolarHBondContact O-N 3.2Å
590	D	85.9	Confident	77.4	Confident	34 Å²	34	59.8 Å²	59.8	18%	0.182	30%	0.299	C	S	.	.	H	α-helix	trans	-67.4	-38.6	177	-78.5	-40.5	0	0	0	112.2	Q587 R593 Q594 V615	Q587-D590 PolarHBondContact N-OD2 3.07Å; Q587-D590 WeakPolarHBondContact O-CB 3.47Å; Q587-D590 PolarHBondContact O-N 2.94Å; Q587-D590 VanDerWaalsContact O-N 3.09Å; D590-R593 IonicContact OD1-CZ 2.8Å; D590-R593 IonicContact OD1-NE 2.66Å; D590-R593 IonicContact OD1-NH2 3.39Å; D590-R593 PolarHBondContact OD1-NH2 2.84Å; D590-Q594 WeakPolarHBondContact O-CG 3.31Å; D590-Q594 PolarHBondContact O-N 2.79Å; D590-Q594 VanDerWaalsContact O-N 3.1Å; D590-V615 HydrophobicContact CB-CG2 4.08Å
591	F	89.6	Confident	78.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-51.5	171.9	169.4	-107	0	0	0	110.7	V546 D548 Q570 A572 R593 Q594 W595 W608 V615 A617	V546-F591 HydrophobicContact CG1-CE1 4.09Å; D548-F591 HydrophobicContact CB-CD1 4.15Å; Q570-F591 HydrophobicContact CG-CE1 4.38Å; Q570-F591 HydrophobicContact CG-CZ 3.69Å; A572-F591 HydrophobicContact CB-CB 3.59Å; A572-F591 HydrophobicContact CB-CD1 3.94Å; A572-F591 HydrophobicContact CB-CD2 3.64Å; A572-F591 HydrophobicContact CB-CE2 4.35Å; A572-F591 HydrophobicContact CB-CG 3.41Å; A572-F591 VanDerWaalsContact CB-CG 3.41Å; F591-R593 VanDerWaalsContact C-N 3.32Å; F591-R593 PolarHBondContact O-N 3.34Å; F591-Q594 PolarHBondContact O-N 3.11Å; F591-W595 HydrophobicContact CD2-CB 4.46Å; F591-W595 HydrophobicContact CE1-CB 4.29Å; F591-W595 HydrophobicContact CE1-CG 4.4Å; F591-W595 HydrophobicContact CE2-CB 4.01Å; F591-W595 HydrophobicContact CE2-CG 4.28Å; F591-W595 HydrophobicContact CZ-CB 3.89Å; F591-W595 AromaticContact CZ-CD1 3.88Å; F591-W595 AromaticContact CZ-CG 3.84Å; F591-W595 HydrophobicContact CZ-CG 3.84Å; F591-W595 VanDerWaalsContact O-CB 3.23Å; F591-W595 WeakPolarHBondContact O-CB 3.41Å; F591-W595 PolarHBondContact O-N 2.84Å; F591-W608 HydrophobicContact CD2-CH2 4.04Å; F591-W608 HydrophobicContact CE2-CH2 4.1Å; F591-V615 HydrophobicContact CB-CG1 3.83Å; F591-V615 HydrophobicContact CD2-CG1 4.21Å; F591-A617 HydrophobicContact CE2-CB 4Å
592	T	89.9	Confident	79.9	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-57.4	-45.8	-179.6	-64.6	0	0	0	0	111.9	A453 I454 Y504 D548 G589 Q594 W595 V596	A453-T592 HydrophobicContact CB-CG2 4.32Å; I454-T592 HydrophobicContact CD1-CG2 3.8Å; I454-T592 HydrophobicContact CG1-CG2 3.76Å; Y504-T592 HydrophobicContact CE2-CG2 4.04Å; Y504-T592 WeakPolarHBondContact CE2-OG1 3.4Å; Y504-T592 WeakPolarHBondContact OH-CG2 3.16Å; Y504-T592 PolarHBondContact OH-OG1 2.8Å; D548-T592 WeakPolarHBondContact CB-OG1 3.43Å; D548-T592 VanDerWaalsContact OD2-CB 3.28Å; D548-T592 WeakPolarHBondContact OD2-CB 3.41Å; D548-T592 PolarHBondContact OD2-N 2.88Å; D548-T592 PolarHBondContact OD2-OG1 2.98Å; G589-T592 PolarHBondContact O-N 2.87Å; T592-Q594 PolarHBondContact O-N 2.83Å; T592-W595 PolarHBondContact O-N 2.93Å; T592-V596 HydrophobicContact CG2-CG2 4.19Å; T592-V596 VanDerWaalsContact O-CB 3.3Å; T592-V596 WeakPolarHBondContact O-CB 3.35Å; T592-V596 WeakPolarHBondContact O-CG2 3.33Å; T592-V596 PolarHBondContact O-N 2.79Å
593	R	89	Confident	81.1	Confident	160 Å²	160	47.8 Å²	47.8	60%	0.604	25%	0.253	S	S	*	.	H	α-helix	trans	-58.2	-49.6	177.1	-179.7	174.3	58.9	150.8	-4.9	111.9	G589 D590 F591 E597	G589-R593 WeakPolarHBondContact O-CB 3.47Å; G589-R593 PolarHBondContact O-N 3.2Å; D590-R593 IonicContact OD1-CZ 2.8Å; D590-R593 IonicContact OD1-NE 2.66Å; D590-R593 IonicContact OD1-NH2 3.39Å; D590-R593 PolarHBondContact OD1-NH2 2.84Å; F591-R593 VanDerWaalsContact C-N 3.32Å; F591-R593 PolarHBondContact O-N 3.34Å; R593-E597 WeakPolarHBondContact O-CB 3.35Å; R593-E597 PolarHBondContact O-N 2.94Å
594	Q	89.1	Confident	82.1	Confident	36 Å²	36	47 Å²	47	17%	0.168	25%	0.245	C	C	.	.	H	α-helix	trans	-68.6	-38.7	-179.4	-68.6	179.1	36	0	0	112.5	D590 F591 T592 E597 Y598 I606 W608	D590-Q594 WeakPolarHBondContact O-CG 3.31Å; D590-Q594 PolarHBondContact O-N 2.79Å; D590-Q594 VanDerWaalsContact O-N 3.1Å; F591-Q594 PolarHBondContact O-N 3.11Å; T592-Q594 PolarHBondContact O-N 2.83Å; Q594-E597 PolarHBondContact O-N 3.34Å; Q594-Y598 WeakPolarHBondContact O-CB 3.42Å; Q594-Y598 PolarHBondContact O-N 3.1Å; Q594-I606 HydrophobicContact CB-CD1 4.45Å; Q594-W608 HydrophobicContact CB-CH2 3.92Å; Q594-W608 HydrophobicContact CB-CZ2 4.14Å
595	W	91.2	Very high	83	Confident	1 Å²	1	47.9 Å²	47.9	0%	0.004	25%	0.25	C	C	.	.	H	α-helix	trans	-69.9	-40.4	-180	-177	80.2	0	0	0	112.4	F457 V546 F591 T592 N599 W608 F695	F457-W595 HydrophobicContact CD1-CH2 4.39Å; F457-W595 HydrophobicContact CD1-CZ3 4.08Å; F457-W595 HydrophobicContact CD2-CH2 4.19Å; F457-W595 AromaticContact CD2-CZ3 3.81Å; F457-W595 HydrophobicContact CD2-CZ3 3.81Å; F457-W595 AromaticContact CE1-CH2 3.75Å; F457-W595 HydrophobicContact CE1-CH2 3.75Å; F457-W595 AromaticContact CE1-CZ3 3.91Å; F457-W595 HydrophobicContact CE1-CZ3 3.91Å; F457-W595 HydrophobicContact CE2-CE3 4.48Å; F457-W595 AromaticContact CE2-CH2 3.49Å; F457-W595 HydrophobicContact CE2-CH2 3.49Å; F457-W595 VanDerWaalsContact CE2-CH2 3.49Å; F457-W595 HydrophobicContact CE2-CZ2 4.27Å; F457-W595 AromaticContact CE2-CZ3 3.61Å; F457-W595 HydrophobicContact CE2-CZ3 3.61Å; F457-W595 HydrophobicContact CG-CZ3 4.06Å; F457-W595 AromaticContact CZ-CH2 3.26Å; F457-W595 HydrophobicContact CZ-CH2 3.26Å; F457-W595 HydrophobicContact CZ-CZ2 4.2Å; F457-W595 AromaticContact CZ-CZ3 3.69Å; F457-W595 HydrophobicContact CZ-CZ3 3.69Å; V546-W595 HydrophobicContact CG1-CZ3 4.43Å; V546-W595 HydrophobicContact CG2-CH2 4.12Å; V546-W595 HydrophobicContact CG2-CZ2 4.39Å; F591-W595 HydrophobicContact CD2-CB 4.46Å; F591-W595 HydrophobicContact CE1-CB 4.29Å; F591-W595 HydrophobicContact CE1-CG 4.4Å; F591-W595 HydrophobicContact CE2-CB 4.01Å; F591-W595 HydrophobicContact CE2-CG 4.28Å; F591-W595 HydrophobicContact CZ-CB 3.89Å; F591-W595 AromaticContact CZ-CD1 3.88Å; F591-W595 AromaticContact CZ-CG 3.84Å; F591-W595 HydrophobicContact CZ-CG 3.84Å; F591-W595 VanDerWaalsContact O-CB 3.23Å; F591-W595 WeakPolarHBondContact O-CB 3.41Å; F591-W595 PolarHBondContact O-N 2.84Å; T592-W595 PolarHBondContact O-N 2.93Å; W595-N599 VanDerWaalsContact CE2-ND2 3.31Å; W595-N599 PolarHBondContact NE1-ND2 2.86Å; W595-N599 PolarHBondContact O-N 2.9Å; W595-N599 VanDerWaalsContact O-N 3.16Å; W595-N599 PolarHBondContact O-ND2 3.32Å; W595-W608 HydrophobicContact CB-CZ2 4.27Å; W595-F695 HydrophobicContact CH2-CD2 4.45Å; W595-F695 HydrophobicContact CZ2-CD2 4.21Å
596	V	90.6	Very high	83.7	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.03	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-45.5	173.2	170.5	0	0	0	0	110.3	A453 I454 F457 T592 Y598 N599 C600	A453-V596 HydrophobicContact CB-CG2 4.32Å; A453-V596 WeakPolarHBondContact O-CG1 3.44Å; I454-V596 HydrophobicContact CD1-CG2 4.16Å; F457-V596 HydrophobicContact CB-CG1 4.12Å; F457-V596 HydrophobicContact CB-CG2 3.91Å; F457-V596 HydrophobicContact CG-CG2 4.42Å; T592-V596 HydrophobicContact CG2-CG2 4.19Å; T592-V596 VanDerWaalsContact O-CB 3.3Å; T592-V596 WeakPolarHBondContact O-CB 3.35Å; T592-V596 WeakPolarHBondContact O-CG2 3.33Å; T592-V596 PolarHBondContact O-N 2.79Å; V596-Y598 VanDerWaalsContact C-N 3.34Å; V596-Y598 PolarHBondContact O-N 2.6Å; V596-N599 PolarHBondContact O-N 2.81Å; V596-C600 HydrophobicContact CG1-CB 4.49Å; V596-C600 WeakPolarHBondContact O-CB 3.29Å; V596-C600 PolarHBondContact O-N 3.17Å; V596-C600 PolarHBondContact O-SG 3.47Å; V596-C600 VanDerWaalsContact O-SG 3.35Å
597	E	89.3	Confident	84.1	Confident	58 Å²	58	47.1 Å²	47.1	27%	0.271	24%	0.243	S	C	.	.	H	α-helix	trans	-62	-42.3	179	-170.9	63.4	-165.8	0	0	111.7	R456 R593 Q594 N599 C600 N601 I606	R456-E597 IonicContact NH2-OE2 3.81Å; R593-E597 WeakPolarHBondContact O-CB 3.35Å; R593-E597 PolarHBondContact O-N 2.94Å; Q594-E597 PolarHBondContact O-N 3.34Å; E597-N599 VanDerWaalsContact C-N 3.33Å; E597-N599 PolarHBondContact O-N 3.07Å; E597-C600 PolarHBondContact O-N 3.5Å; E597-N601 HydrophobicContact CG-CB 4.41Å; E597-N601 VanDerWaalsContact O-CB 3.27Å; E597-N601 WeakPolarHBondContact O-CB 3.48Å; E597-N601 PolarHBondContact O-N 3.46Å; E597-N601 VanDerWaalsContact OE1-CB 3.3Å; E597-N601 WeakPolarHBondContact OE1-CB 3.41Å; E597-N601 PolarHBondContact OE1-ND2 3.34Å; E597-I606 HydrophobicContact CB-CD1 3.88Å; E597-I606 HydrophobicContact CG-CD1 3.94Å
598	Y	87.9	Confident	84.4	Confident	49 Å²	49	44 Å²	44	19%	0.192	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-38.2	175.6	177.7	-96.7	0	0	0	113.4	Q594 V596 I606 W608 K696 V698	Q594-Y598 WeakPolarHBondContact O-CB 3.42Å; Q594-Y598 PolarHBondContact O-N 3.1Å; V596-Y598 VanDerWaalsContact C-N 3.34Å; V596-Y598 PolarHBondContact O-N 2.6Å; Y598-I606 HydrophobicContact CD2-CB 4.3Å; Y598-I606 HydrophobicContact CD2-CG2 4.29Å; Y598-I606 WeakPolarHBondContact CD2-O 3.5Å; Y598-W608 AromaticContact CD1-NE1 3.68Å; Y598-W608 AromaticContact CD2-CD1 3.76Å; Y598-W608 AromaticContact CD2-NE1 3.57Å; Y598-W608 AromaticContact CE2-CD1 3.83Å; Y598-W608 AromaticContact CG-CD1 3.93Å; Y598-W608 AromaticContact CG-NE1 3.34Å; Y598-W608 VanDerWaalsContact CG-NE1 3.34Å; Y598-K696 HydrophobicContact CE1-CB 4.33Å; Y598-K696 HydrophobicContact CE1-CD 4.3Å; Y598-V698 HydrophobicContact CD1-CG1 3.97Å; Y598-V698 HydrophobicContact CE1-CG1 3.46Å; Y598-V698 VanDerWaalsContact CE1-CG1 3.46Å
599	N	87.9	Confident	84.3	Confident	13 Å²	13	46.9 Å²	46.9	7%	0.07	25%	0.25	C	C	.	.	H	α-helix	trans	-87.3	-27.7	-177.5	-77	-72	0	0	0	113.7	F457 H461 W595 V596 E597 F695 K696	F457-N599 HydrophobicContact CD2-CB 4.31Å; F457-N599 HydrophobicContact CE2-CB 3.97Å; H461-N599 PolarHBondContact CE1-O 2.96Å; H461-N599 PolarHBondContact NE2-O 3.06Å; W595-N599 VanDerWaalsContact CE2-ND2 3.31Å; W595-N599 PolarHBondContact NE1-ND2 2.86Å; W595-N599 PolarHBondContact O-N 2.9Å; W595-N599 VanDerWaalsContact O-N 3.16Å; W595-N599 PolarHBondContact O-ND2 3.32Å; V596-N599 PolarHBondContact O-N 2.81Å; E597-N599 VanDerWaalsContact C-N 3.33Å; E597-N599 PolarHBondContact O-N 3.07Å; N599-F695 HydrophobicContact CB-CB 4.3Å; N599-K696 PolarHBondContact OD1-N 2.63Å; N599-K696 PolarHBondContact OD1-O 3.12Å
600	C	85.8	Confident	84.2	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.034	27%	0.269	C	S	.	.	H	α-helix	trans	-98.4	-19.6	-175.6	-64.1	0	0	0	0	113.8	Y460 V596 E597	Y460-C600 HydrophobicContact CD1-CB 3.98Å; Y460-C600 HydrophobicContact CD2-CB 4.31Å; Y460-C600 HydrophobicContact CE1-CB 4.32Å; Y460-C600 WeakPolarHBondContact CE2-O 3.24Å; Y460-C600 HydrophobicContact CG-CB 3.98Å; Y460-C600 PolarHBondContact OH-O 2.83Å; V596-C600 HydrophobicContact CG1-CB 4.49Å; V596-C600 WeakPolarHBondContact O-CB 3.29Å; V596-C600 PolarHBondContact O-N 3.17Å; V596-C600 PolarHBondContact O-SG 3.47Å; V596-C600 VanDerWaalsContact O-SG 3.35Å; E597-C600 PolarHBondContact O-N 3.5Å
601	N	82.9	Confident	83.4	Confident	43 Å²	43	60 Å²	60	23%	0.23	31%	0.305	C	S	.	.			trans	-115.5	108.1	-179.5	-172.8	-0.6	0	0	0	111.2	E597 D603 S604	E597-N601 HydrophobicContact CG-CB 4.41Å; E597-N601 VanDerWaalsContact O-CB 3.27Å; E597-N601 WeakPolarHBondContact O-CB 3.48Å; E597-N601 PolarHBondContact O-N 3.46Å; E597-N601 VanDerWaalsContact OE1-CB 3.3Å; E597-N601 WeakPolarHBondContact OE1-CB 3.41Å; E597-N601 PolarHBondContact OE1-ND2 3.34Å; N601-D603 PolarHBondContact O-N 2.88Å; N601-D603 PolarHBondContact OD1-N 3.42Å; N601-S604 VanDerWaalsContact O-CB 3.32Å; N601-S604 WeakPolarHBondContact O-CB 3.01Å; N601-S604 PolarHBondContact O-N 2.84Å; N601-S604 PolarHBondContact O-OG 3.11Å
602	P	73.8	Confident	82.5	Confident	88 Å²	88	63.6 Å²	63.6	57%	0.571	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-22.2	178.3	28	-33.8	0	0	0	113.3	S604	P602-S604 VanDerWaalsContact C-N 3.33Å
603	D	77.3	Confident	81.9	Confident	135 Å²	135	65.7 Å²	65.7	72%	0.722	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	12.1	178.4	-57.4	-42	0	0	0	112.1	N601 N605	N601-D603 PolarHBondContact O-N 2.88Å; N601-D603 PolarHBondContact OD1-N 3.42Å; D603-N605 PolarHBondContact O-N 3.27Å
604	S	77.9	Confident	81.5	Confident	29 Å²	29	60.3 Å²	60.3	20%	0.203	34%	0.335	C	S	.	.			trans	-67.5	131	179.5	60.6	0	0	0	0	111.4	N601 P602 I606	N601-S604 VanDerWaalsContact O-CB 3.32Å; N601-S604 WeakPolarHBondContact O-CB 3.01Å; N601-S604 PolarHBondContact O-N 2.84Å; N601-S604 PolarHBondContact O-OG 3.11Å; P602-S604 VanDerWaalsContact C-N 3.33Å; S604-I606 PolarHBondContact O-N 3.15Å
605	N	77.8	Confident	81.2	Confident	158 Å²	158	58.7 Å²	58.7	85%	0.845	33%	0.328	S	S	*	.			trans	-79.7	13.3	174.4	-68	-27.2	0	0	0	112.9	D603 S607	D603-N605 PolarHBondContact O-N 3.27Å; N605-S607 PolarHBondContact O-N 2.88Å
606	I	81.5	Confident	81.1	Confident	37 Å²	37	63.2 Å²	63.2	19%	0.19	35%	0.347	C	S	.	.			trans	-80.1	111.6	-173.9	-62.4	175.4	0	0	0	109.6	Q594 E597 Y598 S604 W608	Q594-I606 HydrophobicContact CB-CD1 4.45Å; E597-I606 HydrophobicContact CB-CD1 3.88Å; E597-I606 HydrophobicContact CG-CD1 3.94Å; Y598-I606 HydrophobicContact CD2-CB 4.3Å; Y598-I606 HydrophobicContact CD2-CG2 4.29Å; Y598-I606 WeakPolarHBondContact CD2-O 3.5Å; S604-I606 PolarHBondContact O-N 3.15Å; I606-W608 HydrophobicContact CG2-CZ2 4.47Å
607	S	81.1	Confident	81	Confident	40 Å²	40	63 Å²	63	28%	0.28	35%	0.346	S	S	.	.			trans	-108.5	112.1	170.9	178	0	0	0	0	111.3	N605 S609 E610 R613	N605-S607 PolarHBondContact O-N 2.88Å; S607-S609 PolarHBondContact O-N 3.42Å; S607-S609 PolarHBondContact OG-OG 2.95Å; S607-E610 PolarHBondContact O-N 2.77Å; S607-R613 PolarHBondContact O-NH1 3.09Å
608	W	83.2	Confident	81.1	Confident	8 Å²	8	61.3 Å²	61.3	3%	0.03	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.6	177.8	-69.3	100.9	0	0	0	113.5	F591 Q594 W595 Y598 I606 E610 A617 V698 S700	F591-W608 HydrophobicContact CD2-CH2 4.04Å; F591-W608 HydrophobicContact CE2-CH2 4.1Å; Q594-W608 HydrophobicContact CB-CH2 3.92Å; Q594-W608 HydrophobicContact CB-CZ2 4.14Å; W595-W608 HydrophobicContact CB-CZ2 4.27Å; Y598-W608 AromaticContact CD1-NE1 3.68Å; Y598-W608 AromaticContact CD2-CD1 3.76Å; Y598-W608 AromaticContact CD2-NE1 3.57Å; Y598-W608 AromaticContact CE2-CD1 3.83Å; Y598-W608 AromaticContact CG-CD1 3.93Å; Y598-W608 AromaticContact CG-NE1 3.34Å; Y598-W608 VanDerWaalsContact CG-NE1 3.34Å; I606-W608 HydrophobicContact CG2-CZ2 4.47Å; W608-E610 VanDerWaalsContact C-N 3.35Å; W608-A617 HydrophobicContact CD2-CB 3.96Å; W608-A617 HydrophobicContact CE3-CB 3.42Å; W608-A617 VanDerWaalsContact CE3-CB 3.42Å; W608-A617 HydrophobicContact CH2-CB 4.19Å; W608-A617 HydrophobicContact CZ3-CB 3.56Å; W608-V698 HydrophobicContact CD2-CB 4.39Å; W608-V698 HydrophobicContact CD2-CG2 4Å; W608-V698 HydrophobicContact CG-CB 3.96Å; W608-V698 HydrophobicContact CG-CG1 4.39Å; W608-V698 HydrophobicContact CG-CG2 4.09Å; W608-V698 HydrophobicContact CZ2-CG2 4.32Å; W608-S700 WeakPolarHBondContact O-CA 3.32Å; W608-S700 WeakPolarHBondContact O-CB 3.44Å; W608-S700 PolarHBondContact O-OG 3.08Å
609	S	77.9	Confident	81.3	Confident	78 Å²	78	59 Å²	59	55%	0.545	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-2.9	-179.7	62.6	0	0	0	0	115.1	S607	S607-S609 PolarHBondContact O-N 3.42Å; S607-S609 PolarHBondContact OG-OG 2.95Å
610	E	78.2	Confident	81.4	Confident	101 Å²	101	58.4 Å²	58.4	47%	0.472	33%	0.327	S	S	.	.			trans	-66.8	135.9	178.3	-75.5	166.7	178.5	0	0	111.9	S607 W608 R613	S607-E610 PolarHBondContact O-N 2.77Å; W608-E610 VanDerWaalsContact C-N 3.35Å; E610-R613 HydrophobicContact CB-CG 4.23Å; E610-R613 IonicContact OE2-NH1 2.92Å; E610-R613 PolarHBondContact OE2-NH1 2.92Å
611	K	70.6	Confident	81.7	Confident	214 Å²	214	58.8 Å²	58.8	93%	0.93	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	138.8	176.4	-64	-176.3	-179.6	179.9	0	109.8
612	G	69.4	Low	82.1	Confident	77 Å²	77	56.9 Å²	56.9	79%	0.794	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.2	5.7	175.4	0	0	0	0	0	116
613	R	78.3	Confident	82.6	Confident	44 Å²	44	58.1 Å²	58.1	17%	0.166	32%	0.316	C	S	.	.			trans	-63.9	136	177.1	-60.4	-179.8	76.5	90.2	4.9	111.8	S607 E610 V615	S607-R613 PolarHBondContact O-NH1 3.09Å; E610-R613 HydrophobicContact CB-CG 4.23Å; E610-R613 IonicContact OE2-NH1 2.92Å; E610-R613 PolarHBondContact OE2-NH1 2.92Å; R613-V615 VanDerWaalsContact C-N 3.32Å
614	T	79.8	Confident	83	Confident	48 Å²	48	53.6 Å²	53.6	29%	0.294	29%	0.291	S	S	.	.	S	Bend	trans	-69.3	-30.1	173.5	53.1	0	0	0	0	112.6	A575 V578	A575-T614 WeakPolarHBondContact CB-O 3.3Å; A575-T614 PolarHBondContact N-O 2.88Å; V578-T614 HydrophobicContact CG1-CG2 4.36Å; V578-T614 HydrophobicContact CG2-CG2 4.09Å
615	V	83.9	Confident	83.3	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.4	174.1	-176.7	0	0	0	0	109.3	A572 P586 D590 F591 R613	A572-V615 HydrophobicContact CB-CG1 4.47Å; P586-V615 HydrophobicContact CB-CG2 3.76Å; D590-V615 HydrophobicContact CB-CG2 4.08Å; F591-V615 HydrophobicContact CB-CG1 3.83Å; F591-V615 HydrophobicContact CD2-CG1 4.21Å; R613-V615 VanDerWaalsContact C-N 3.32Å
616	K	87.4	Confident	83.3	Confident	96 Å²	96	45.9 Å²	45.9	42%	0.417	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.9	176.2	-66.7	177.1	-175.2	170.2	0	110.1	A572 E573	A572-K616 CarbonylContact C-O 3.55Å; A572-K616 WeakPolarHBondContact CA-O 3.42Å; E573-K616 HydrophobicContact CB-CB 4.27Å; E573-K616 PolarHBondContact N-O 3.35Å; E573-K616 PolarHBondContact O-N 3.48Å
617	A	89	Confident	83.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	137	174.3	0	0	0	0	0	110.4	F591 W608 V698 K699 S700	F591-A617 HydrophobicContact CE2-CB 4Å; W608-A617 HydrophobicContact CD2-CB 3.96Å; W608-A617 HydrophobicContact CE3-CB 3.42Å; W608-A617 VanDerWaalsContact CE3-CB 3.42Å; W608-A617 HydrophobicContact CH2-CB 4.19Å; W608-A617 HydrophobicContact CZ3-CB 3.56Å; A617-V698 HydrophobicContact CB-CB 4.5Å; A617-V698 HydrophobicContact CB-CG2 3.75Å; A617-V698 WeakPolarHBondContact CB-O 3.46Å; A617-K699 WeakPolarHBondContact O-CA 3.31Å; A617-S700 PolarHBondContact N-OG 2.86Å; A617-S700 PolarHBondContact O-N 3.17Å
618	V	90.7	Very high	83	Confident	23 Å²	23	43.6 Å²	43.6	14%	0.139	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.4	172.3	-72.7	0	0	0	0	110.4	Q553 V556 Q570 G571	Q553-V618 VanDerWaalsContact NE2-CG1 3.29Å; Q553-V618 VanDerWaalsContact NE2-CG2 3.26Å; V556-V618 HydrophobicContact CG1-CB 4.44Å; V556-V618 HydrophobicContact CG1-CG2 4.47Å; V556-V618 HydrophobicContact CG2-CG2 4.11Å; Q570-V618 PolarHBondContact NE2-O 3.31Å; Q570-V618 VanDerWaalsContact NE2-O 3.12Å; G571-V618 PolarHBondContact N-O 2.95Å; G571-V618 PolarHBondContact O-N 2.87Å
619	Y	93	Very high	82.5	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	158.7	171.9	81.4	-89.2	0	0	0	112.6	V556 R560 V569 V621 L685 P686 L689 L697 V698 K699	V556-Y619 VanDerWaalsContact CG1-C 3.46Å; R560-Y619 PolarHBondContact NH2-O 3.01Å; R560-Y619 VanDerWaalsContact NH2-O 3.17Å; V569-Y619 CarbonylContact O-C 3.55Å; V569-Y619 WeakPolarHBondContact O-CA 3.41Å; V569-Y619 WeakPolarHBondContact O-CB 3.42Å; Y619-V621 HydrophobicContact CD2-CG1 4.02Å; Y619-V621 HydrophobicContact CE2-CG1 3.98Å; Y619-L685 HydrophobicContact CD2-CD2 4.34Å; Y619-L685 HydrophobicContact CE1-CD2 4.34Å; Y619-L685 HydrophobicContact CE2-CD1 3.81Å; Y619-L685 HydrophobicContact CE2-CD2 3.84Å; Y619-L685 HydrophobicContact CE2-CG 3.87Å; Y619-L685 WeakPolarHBondContact OH-CG 3.43Å; Y619-P686 WeakPolarHBondContact CE1-O 3.46Å; Y619-P686 VanDerWaalsContact CZ-O 3.32Å; Y619-P686 WeakPolarHBondContact OH-CD 3.25Å; Y619-P686 WeakPolarHBondContact OH-CG 3.09Å; Y619-P686 PolarHBondContact OH-O 2.76Å; Y619-L689 HydrophobicContact CD2-CD2 4.49Å; Y619-L689 HydrophobicContact CE2-CB 4.07Å; Y619-L689 HydrophobicContact CE2-CD2 3.72Å; Y619-L697 HydrophobicContact CD1-CB 4.42Å; Y619-L697 HydrophobicContact CD2-CB 4.27Å; Y619-L697 HydrophobicContact CD2-CD1 4.48Å; Y619-L697 HydrophobicContact CG-CB 4.13Å; Y619-V698 WeakPolarHBondContact CD1-O 3.22Å; Y619-K699 HydrophobicContact CD1-CB 3.63Å; Y619-K699 HydrophobicContact CE1-CB 3.56Å
620	G	90.5	Very high	82.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	147	178.4	0	0	0	0	0	109.8	V559 A568 V569	V559-G620 VanDerWaalsContact CG1-C 3.47Å; A568-G620 CarbonylContact C-O 3.56Å; A568-G620 WeakPolarHBondContact CA-O 3.28Å; V569-G620 PolarHBondContact N-O 2.88Å; V569-G620 PolarHBondContact O-N 2.86Å
621	V	91.9	Very high	82	Confident	13 Å²	13	41.3 Å²	41.3	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.1	178.1	-61.5	0	0	0	0	109.6	R560 A568 Y619 W625 M681 L685 L689	R560-V621 WeakPolarHBondContact CA-O 3.37Å; A568-V621 HydrophobicContact CB-CG1 3.99Å; Y619-V621 HydrophobicContact CD2-CG1 4.02Å; Y619-V621 HydrophobicContact CE2-CG1 3.98Å; V621-W625 HydrophobicContact CB-CB 3.83Å; V621-W625 HydrophobicContact CB-CD2 4.25Å; V621-W625 HydrophobicContact CB-CG 3.82Å; V621-W625 HydrophobicContact CG1-CD2 4.18Å; V621-W625 HydrophobicContact CG1-CG 4.06Å; V621-W625 HydrophobicContact CG2-CB 4.2Å; V621-W625 HydrophobicContact CG2-CG 4.38Å; V621-M681 HydrophobicContact CG2-CE 4.43Å; V621-L685 HydrophobicContact CG2-CD1 3.83Å; V621-L689 HydrophobicContact CG1-CD2 3.79Å
622	S	90.9	Very high	82	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.021	20%	0.198	C	C	.	.			trans	-64.7	157.8	173.5	70.8	0	0	0	0	111.8	V559 Q565 V567 H624 W625	V559-S622 WeakPolarHBondContact O-CA 3.22Å; Q565-S622 VanDerWaalsContact O-CB 3.28Å; Q565-S622 WeakPolarHBondContact O-CB 3.45Å; Q565-S622 PolarHBondContact O-OG 3.13Å; V567-S622 PolarHBondContact N-OG 3.15Å; V567-S622 PolarHBondContact O-N 2.9Å; S622-H624 PolarHBondContact O-N 3.25Å; S622-H624 VanDerWaalsContact O-N 3.13Å; S622-W625 VanDerWaalsContact O-CB 3.24Å; S622-W625 WeakPolarHBondContact O-CB 3.34Å; S622-W625 PolarHBondContact O-N 3.43Å
623	K	85.3	Confident	81.9	Confident	115 Å²	115	33 Å²	33	50%	0.5	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.9	-176.1	-62.3	-170.2	-166.1	146.8	0	113.7	R560 V562 N563	R560-K623 WeakPolarHBondContact O-CG 3.2Å; V562-K623 PolarHBondContact O-N 2.84Å; N563-K623 VanDerWaalsContact OD1-CD 3.32Å; N563-K623 WeakPolarHBondContact OD1-CD 3.44Å; N563-K623 WeakPolarHBondContact OD1-CE 3.33Å; N563-K623 PolarHBondContact OD1-NZ 3.36Å
624	H	84.7	Confident	81.5	Confident	40 Å²	40	33.5 Å²	33.5	19%	0.185	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	2.5	-177.3	-69.5	92.4	0	0	0	113.3	Y566 S622 S626 D627 R678	Y566-H624 WeakPolarHBondContact CD1-O 3.25Å; Y566-H624 HydrophobicContact CE1-CB 4.26Å; Y566-H624 WeakPolarHBondContact CE1-O 3.14Å; S622-H624 PolarHBondContact O-N 3.25Å; S622-H624 VanDerWaalsContact O-N 3.13Å; H624-S626 PolarHBondContact O-N 2.82Å; H624-D627 IonicContact CD2-OD2 3.83Å; H624-D627 PolarHBondContact CD2-OD2 3.11Å; H624-D627 VanDerWaalsContact CD2-OD2 3.26Å; H624-D627 IonicContact CG-OD2 3.52Å; H624-D627 WeakPolarHBondContact O-CB 3.49Å; H624-D627 PolarHBondContact O-N 3.44Å; H624-R678 VanDerWaalsContact CD2-CZ 3.41Å; H624-R678 PolarHBondContact CD2-NH2 3.29Å; H624-R678 VanDerWaalsContact CD2-NH2 3.34Å; H624-R678 PolarHBondContact NE2-NH1 2.79Å
625	W	83.6	Confident	80.9	Confident	18 Å²	18	32.7 Å²	32.7	7%	0.068	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-48.6	-40.2	-179.8	178.9	-94.8	0	0	0	113.3	R542 I544 A568 V621 S622 D627 Y628	R542-W625 HydrophobicContact CB-CZ3 4.24Å; I544-W625 HydrophobicContact CD1-CH2 4.07Å; I544-W625 HydrophobicContact CG1-CH2 3.85Å; I544-W625 HydrophobicContact CG1-CZ3 4.44Å; A568-W625 HydrophobicContact CB-CE3 3.98Å; A568-W625 HydrophobicContact CB-CH2 3.68Å; A568-W625 HydrophobicContact CB-CZ2 4.23Å; A568-W625 HydrophobicContact CB-CZ3 3.54Å; V621-W625 HydrophobicContact CB-CB 3.83Å; V621-W625 HydrophobicContact CB-CD2 4.25Å; V621-W625 HydrophobicContact CB-CG 3.82Å; V621-W625 HydrophobicContact CG1-CD2 4.18Å; V621-W625 HydrophobicContact CG1-CG 4.06Å; V621-W625 HydrophobicContact CG2-CB 4.2Å; V621-W625 HydrophobicContact CG2-CG 4.38Å; S622-W625 VanDerWaalsContact O-CB 3.24Å; S622-W625 WeakPolarHBondContact O-CB 3.34Å; S622-W625 PolarHBondContact O-N 3.43Å; W625-D627 PolarHBondContact O-N 3.43Å; W625-Y628 VanDerWaalsContact O-CB 3.26Å; W625-Y628 WeakPolarHBondContact O-CB 3.39Å; W625-Y628 PolarHBondContact O-N 3.46Å
626	S	78.3	Confident	80.3	Confident	6 Å²	6	36.6 Å²	36.6	4%	0.042	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-65.2	-23.1	-179.1	58.2	0	0	0	0	114.8	H624 Y628 K677 R678	H624-S626 PolarHBondContact O-N 2.82Å; S626-Y628 VanDerWaalsContact C-N 3.29Å; S626-K677 WeakPolarHBondContact O-CD 3.39Å; S626-K677 VanDerWaalsContact O-CE 3.31Å; S626-K677 WeakPolarHBondContact O-CE 3.36Å; S626-K677 PolarHBondContact O-NZ 2.81Å; S626-R678 WeakPolarHBondContact OG-CA 3.26Å; S626-R678 VanDerWaalsContact OG-CG 3.25Å; S626-R678 WeakPolarHBondContact OG-CG 3.48Å; S626-R678 PolarHBondContact OG-N 3.47Å
627	D	79	Confident	79.4	Confident	7 Å²	7	33.5 Å²	33.5	4%	0.037	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-85.5	-9.6	-178.4	-49.2	-46.5	0	0	0	113.1	Y566 H624 W625 T629 R674 R678	Y566-D627 HydrophobicContact CE1-CB 4.24Å; H624-D627 IonicContact CD2-OD2 3.83Å; H624-D627 PolarHBondContact CD2-OD2 3.11Å; H624-D627 VanDerWaalsContact CD2-OD2 3.26Å; H624-D627 IonicContact CG-OD2 3.52Å; H624-D627 WeakPolarHBondContact O-CB 3.49Å; H624-D627 PolarHBondContact O-N 3.44Å; W625-D627 PolarHBondContact O-N 3.43Å; D627-T629 PolarHBondContact O-N 3.37Å; D627-T629 VanDerWaalsContact O-N 3.1Å; D627-R674 WeakPolarHBondContact OD1-CB 3.34Å; D627-R678 VanDerWaalsContact CG-NH2 3.31Å; D627-R678 IonicContact OD1-CZ 2.82Å; D627-R678 IonicContact OD1-NE 3.47Å; D627-R678 PolarHBondContact OD1-NE 3Å; D627-R678 IonicContact OD1-NH2 3.36Å; D627-R678 IonicContact OD2-CZ 3.2Å; D627-R678 IonicContact OD2-NE 3.76Å; D627-R678 PolarHBondContact OD2-NE 2.93Å; D627-R678 IonicContact OD2-NH2 2.76Å; D627-R678 PolarHBondContact OD2-NH2 3.06Å
628	Y	77.9	Confident	78.7	Confident	23 Å²	23	33.5 Å²	33.5	9%	0.09	19%	0.189	C	C	.	.			trans	-52	121.5	177.5	179	-102	0	0	0	109.6	D499 C540 R542 Y566 W625 S626 L630	D499-Y628 WeakPolarHBondContact CB-OH 3.24Å; D499-Y628 PolarHBondContact O-OH 3.39Å; C540-Y628 VanDerWaalsContact O-CE2 3.3Å; C540-Y628 WeakPolarHBondContact O-CE2 3.5Å; R542-Y628 HydrophobicContact CB-CD2 3.97Å; R542-Y628 HydrophobicContact CB-CE2 3.79Å; R542-Y628 HydrophobicContact CG-CD2 4.38Å; R542-Y628 HydrophobicContact CG-CE1 4.29Å; R542-Y628 HydrophobicContact CG-CE2 3.9Å; Y566-Y628 HydrophobicContact CD1-CD2 4.27Å; Y566-Y628 AromaticContact CD2-CD2 3.79Å; Y566-Y628 HydrophobicContact CD2-CD2 3.79Å; Y566-Y628 HydrophobicContact CE2-CD2 4.27Å; Y566-Y628 AromaticContact CG-CD2 3.78Å; Y566-Y628 HydrophobicContact CG-CD2 3.78Å; Y566-Y628 HydrophobicContact CG-CG 4.41Å; W625-Y628 VanDerWaalsContact O-CB 3.26Å; W625-Y628 WeakPolarHBondContact O-CB 3.39Å; W625-Y628 PolarHBondContact O-N 3.46Å; S626-Y628 VanDerWaalsContact C-N 3.29Å; Y628-L630 HydrophobicContact CE1-CD2 3.79Å; Y628-L630 HydrophobicContact CE1-CG 4.3Å
629	T	73	Confident	78.1	Confident	66 Å²	66	33.8 Å²	33.8	41%	0.405	19%	0.193	S	C	.	.			trans	-119	134	166.9	51.6	0	0	0	0	106.4	C540 D627	C540-T629 PolarHBondContact SG-O 3.04Å; D627-T629 PolarHBondContact O-N 3.37Å; D627-T629 VanDerWaalsContact O-N 3.1Å
630	L	72.9	Confident	77.4	Confident	43 Å²	43	39.1 Å²	39.1	23%	0.225	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-50.8	145.6	173.2	-65.4	172.5	0	0	0	110.2	R353 D499 Y628 L632	R353-L630 VanDerWaalsContact NH1-CB 3.26Å; R353-L630 PolarHBondContact NH2-O 2.83Å; D499-L630 HydrophobicContact CB-CD2 3.81Å; Y628-L630 HydrophobicContact CE1-CD2 3.79Å; Y628-L630 HydrophobicContact CE1-CG 4.3Å; L630-L632 PolarHBondContact O-N 3.28Å
631	H	71.1	Confident	76.8	Confident	29 Å²	29	40.1 Å²	40.1	13%	0.134	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-56	132.5	-172.3	-173.8	53.6	0	0	0	110.6	R353 D499 D637	R353-H631 PolarHBondContact NH1-O 2.93Å; R353-H631 PolarHBondContact NH2-O 3.43Å; R353-H631 VanDerWaalsContact NH2-O 3.17Å; D499-H631 VanDerWaalsContact OD1-CB 3.28Å; D499-H631 WeakPolarHBondContact OD1-CB 3.15Å; D499-H631 PolarHBondContact OD1-N 3.37Å; H631-D637 IonicContact NE2-OD2 2.73Å
632	L	70.4	Confident	76.1	Confident	107 Å²	107	39.7 Å²	39.7	56%	0.56	22%	0.218	S	C	*	.	P	Polyproline II helix	trans	-95.2	143.7	171.3	-70.9	170.1	0	0	0	108	L357 L630 T634	L357-L632 HydrophobicContact CD1-CD2 4.31Å; L630-L632 PolarHBondContact O-N 3.28Å; L632-T634 PolarHBondContact O-N 3.36Å
633	P	67.4	Low	75.6	Confident	11 Å²	11	45.2 Å²	45.2	7%	0.071	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-59.2	132.8	179.6	24.4	-32.8	0	0	0	111	L357 I358 I638	L357-P633 HydrophobicContact CB-CG 4.08Å; I358-P633 HydrophobicContact CD1-CB 4.14Å; I358-P633 HydrophobicContact CG1-CB 3.64Å; I358-P633 HydrophobicContact CG1-CG 3.93Å; P633-I638 HydrophobicContact CB-CG1 4.37Å
634	T	70.3	Confident	75.3	Confident	54 Å²	54	44.7 Å²	44.7	33%	0.331	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-82	162.1	173.8	66	0	0	0	0	111	L632 S636 D637 I638	L632-T634 PolarHBondContact O-N 3.36Å; T634-S636 PolarHBondContact O-N 3.18Å; T634-S636 PolarHBondContact OG1-OG 2.88Å; T634-D637 WeakPolarHBondContact CB-OD2 3.46Å; T634-D637 PolarHBondContact N-OD2 3.03Å; T634-D637 WeakPolarHBondContact O-CB 3.34Å; T634-D637 PolarHBondContact O-N 2.91Å; T634-D637 PolarHBondContact OG1-N 3.08Å; T634-D637 PolarHBondContact OG1-OD2 3.48Å; T634-I638 WeakPolarHBondContact O-CG1 3.47Å; T634-I638 PolarHBondContact O-N 3.43Å
635	G	67.6	Low	75	Confident	31 Å²	31	47.8 Å²	47.8	32%	0.32	26%	0.257	S	S	.	.	H	α-helix	trans	-60.1	-27.5	176.9	0	0	0	0	0	114	A639 N658	G635-A639 WeakPolarHBondContact O-CB 3.43Å; G635-A639 PolarHBondContact O-N 3.45Å; G635-A639 VanDerWaalsContact O-N 3.1Å; G635-N658 VanDerWaalsContact CA-OD1 3.22Å; G635-N658 WeakPolarHBondContact CA-OD1 3.42Å; G635-N658 PolarHBondContact O-ND2 3.48Å; G635-N658 PolarHBondContact O-OD1 3.33Å
636	S	70.7	Confident	74.8	Confident	83 Å²	83	47.5 Å²	47.5	58%	0.58	26%	0.256	S	S	*	.	H	α-helix	trans	-72.5	-36.3	171.4	43.4	0	0	0	0	113	T634 I638 A639 K640	T634-S636 PolarHBondContact O-N 3.18Å; T634-S636 PolarHBondContact OG1-OG 2.88Å; S636-I638 VanDerWaalsContact C-N 3.35Å; S636-A639 PolarHBondContact O-N 3.14Å; S636-K640 WeakPolarHBondContact O-CB 3.27Å; S636-K640 PolarHBondContact O-N 3.43Å
637	D	70.2	Confident	74.9	Confident	30 Å²	30	50.3 Å²	50.3	16%	0.16	28%	0.275	C	S	.	.	H	α-helix	trans	-67.4	-40.9	176.6	-58.8	-39.4	0	0	0	110.5	H631 T634 K640 H641	H631-D637 IonicContact NE2-OD2 2.73Å; T634-D637 WeakPolarHBondContact CB-OD2 3.46Å; T634-D637 PolarHBondContact N-OD2 3.03Å; T634-D637 WeakPolarHBondContact O-CB 3.34Å; T634-D637 PolarHBondContact O-N 2.91Å; T634-D637 PolarHBondContact OG1-N 3.08Å; T634-D637 PolarHBondContact OG1-OD2 3.48Å; D637-K640 PolarHBondContact O-N 3.05Å; D637-H641 VanDerWaalsContact O-CB 3.23Å; D637-H641 WeakPolarHBondContact O-CB 3.3Å; D637-H641 PolarHBondContact O-N 3.4Å
638	I	73.4	Confident	74.9	Confident	1 Å²	1	60 Å²	60	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-58.8	-50.1	173.4	-64.2	166.6	0	0	0	109.6	I358 Q361 P633 T634 S636 K640 H641 W642	I358-I638 HydrophobicContact CG1-CG1 4.44Å; Q361-I638 VanDerWaalsContact OE1-CD1 3.31Å; P633-I638 HydrophobicContact CB-CG1 4.37Å; T634-I638 WeakPolarHBondContact O-CG1 3.47Å; T634-I638 PolarHBondContact O-N 3.43Å; S636-I638 VanDerWaalsContact C-N 3.35Å; I638-K640 PolarHBondContact O-N 3.16Å; I638-H641 PolarHBondContact O-N 2.85Å; I638-W642 HydrophobicContact CG2-CE3 4.27Å; I638-W642 VanDerWaalsContact O-CB 3.24Å; I638-W642 WeakPolarHBondContact O-CB 3.37Å; I638-W642 PolarHBondContact O-N 2.74Å
639	A	77.4	Confident	74.8	Confident	28 Å²	28	65.6 Å²	65.6	23%	0.231	34%	0.34	C	S	.	.	H	α-helix	trans	-61.1	-44.3	179.3	0	0	0	0	0	112.5	G635 S636 W642 M643 V654	G635-A639 WeakPolarHBondContact O-CB 3.43Å; G635-A639 PolarHBondContact O-N 3.45Å; G635-A639 VanDerWaalsContact O-N 3.1Å; S636-A639 PolarHBondContact O-N 3.14Å; A639-W642 WeakPolarHBondContact O-CB 3.21Å; A639-W642 PolarHBondContact O-N 3.26Å; A639-M643 VanDerWaalsContact O-CG 3.29Å; A639-M643 WeakPolarHBondContact O-CG 3.49Å; A639-M643 PolarHBondContact O-N 3.25Å; A639-V654 HydrophobicContact CB-CG1 3.81Å
640	K	79.5	Confident	75	Confident	114 Å²	114	62.7 Å²	62.7	50%	0.496	32%	0.323	S	S	.	.	H	α-helix	trans	-65.4	-47.2	178.8	-174.4	-178.2	178.4	-173.9	0	111.7	S636 D637 I638 W642 M643 I644	S636-K640 WeakPolarHBondContact O-CB 3.27Å; S636-K640 PolarHBondContact O-N 3.43Å; D637-K640 PolarHBondContact O-N 3.05Å; I638-K640 PolarHBondContact O-N 3.16Å; K640-W642 PolarHBondContact O-N 3.16Å; K640-M643 PolarHBondContact O-N 3.05Å; K640-I644 HydrophobicContact CG-CD1 3.96Å; K640-I644 VanDerWaalsContact O-CG1 3.3Å; K640-I644 WeakPolarHBondContact O-CG1 3.03Å; K640-I644 PolarHBondContact O-N 2.98Å; K640-I644 VanDerWaalsContact O-N 3.14Å
641	H	77.1	Confident	75.3	Confident	21 Å²	21	63.7 Å²	63.7	10%	0.097	32%	0.324	C	S	.	.	H	α-helix	trans	-55.1	-44	173.6	-177.2	81.6	0	0	0	110.1	F355 I358 D637 I638 M643 I644 Y645	F355-H641 AromaticContact CD2-CE1 3.82Å; F355-H641 AromaticContact CE2-CE1 3.9Å; I358-H641 HydrophobicContact CD1-CB 4.06Å; D637-H641 VanDerWaalsContact O-CB 3.23Å; D637-H641 WeakPolarHBondContact O-CB 3.3Å; D637-H641 PolarHBondContact O-N 3.4Å; I638-H641 PolarHBondContact O-N 2.85Å; H641-M643 PolarHBondContact O-N 3.08Å; H641-I644 PolarHBondContact O-N 2.69Å; H641-Y645 AromaticContact CE1-CD2 3.27Å; H641-Y645 WeakPolarHBondContact CE1-CD2 3.03Å; H641-Y645 AromaticContact CE1-CE2 3.42Å; H641-Y645 VanDerWaalsContact CE1-CE2 3.42Å; H641-Y645 WeakPolarHBondContact CE1-CE2 3.26Å; H641-Y645 AromaticContact CG-CD2 3.93Å; H641-Y645 AromaticContact ND1-CD2 3.41Å; H641-Y645 WeakPolarHBondContact ND1-CD2 3.38Å; H641-Y645 AromaticContact ND1-CE2 3.41Å; H641-Y645 WeakPolarHBondContact ND1-CE2 3.35Å; H641-Y645 AromaticContact NE2-CD2 3.74Å; H641-Y645 VanDerWaalsContact O-CD2 3.3Å; H641-Y645 WeakPolarHBondContact O-CD2 3.48Å; H641-Y645 PolarHBondContact O-N 3.22Å; H641-Y645 VanDerWaalsContact O-N 3.12Å
642	W	77.9	Confident	75.6	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.015	35%	0.345	C	S	.	.	H	α-helix	trans	-63.3	-43.2	-179	-155.4	-62.6	0	0	0	112.8	I314 L362 I638 A639 K640 I644 F646 T650 Y651 L653 V654 A657	I314-W642 HydrophobicContact CD1-CH2 4.31Å; I314-W642 HydrophobicContact CD1-CZ2 3.62Å; L362-W642 HydrophobicContact CD2-CE3 3.64Å; L362-W642 HydrophobicContact CD2-CH2 3.39Å; L362-W642 HydrophobicContact CD2-CZ2 4.37Å; L362-W642 HydrophobicContact CD2-CZ3 2.96Å; L362-W642 HydrophobicContact CG-CZ3 4.42Å; I638-W642 HydrophobicContact CG2-CE3 4.27Å; I638-W642 VanDerWaalsContact O-CB 3.24Å; I638-W642 WeakPolarHBondContact O-CB 3.37Å; I638-W642 PolarHBondContact O-N 2.74Å; A639-W642 WeakPolarHBondContact O-CB 3.21Å; A639-W642 PolarHBondContact O-N 3.26Å; K640-W642 PolarHBondContact O-N 3.16Å; W642-I644 VanDerWaalsContact C-N 3.29Å; W642-I644 PolarHBondContact O-N 2.96Å; W642-F646 HydrophobicContact CB-CD2 4.24Å; W642-F646 AromaticContact CD1-CD2 3.64Å; W642-F646 AromaticContact CD2-CD2 3.98Å; W642-F646 HydrophobicContact CD2-CD2 3.98Å; W642-F646 HydrophobicContact CD2-CE2 4.41Å; W642-F646 AromaticContact CG-CD2 3.69Å; W642-F646 HydrophobicContact CG-CD2 3.69Å; W642-F646 HydrophobicContact CG-CE2 4.4Å; W642-F646 AromaticContact NE1-CD2 3.82Å; W642-F646 WeakPolarHBondContact O-CB 3.29Å; W642-F646 PolarHBondContact O-N 3.46Å; W642-T650 PolarHBondContact NE1-O 3.18Å; W642-T650 PolarHBondContact NE1-OG1 2.86Å; W642-Y651 AromaticContact CD1-CD1 3.75Å; W642-L653 HydrophobicContact CH2-CB 3.69Å; W642-L653 HydrophobicContact CZ2-CB 3.63Å; W642-L653 HydrophobicContact CZ2-CD1 4.34Å; W642-V654 HydrophobicContact CB-CG2 3.73Å; W642-V654 HydrophobicContact CD2-CG2 3.32Å; W642-V654 HydrophobicContact CE3-CB 4.47Å; W642-V654 HydrophobicContact CE3-CG2 3.65Å; W642-V654 HydrophobicContact CG-CG2 3.32Å; W642-V654 HydrophobicContact CZ3-CG2 4.32Å; W642-A657 HydrophobicContact CZ3-CB 4.19Å
643	M	79	Confident	75.8	Confident	118 Å²	118	62.5 Å²	62.5	58%	0.581	32%	0.324	S	S	*	.	H	α-helix	trans	-65.7	-30.8	179.1	-72	178.2	73.5	0	0	113.4	A639 K640 H641 Y651	A639-M643 VanDerWaalsContact O-CG 3.29Å; A639-M643 WeakPolarHBondContact O-CG 3.49Å; A639-M643 PolarHBondContact O-N 3.25Å; K640-M643 PolarHBondContact O-N 3.05Å; H641-M643 PolarHBondContact O-N 3.08Å; M643-Y651 WeakPolarHBondContact CA-OH 3.35Å; M643-Y651 HydrophobicContact CG-CE1 4.32Å; M643-Y651 HydrophobicContact CG-CE2 4.02Å; M643-Y651 PolarHBondContact O-OH 2.94Å
644	I	80.6	Confident	76.2	Confident	104 Å²	104	62.5 Å²	62.5	53%	0.533	32%	0.324	S	S	.	.	H	α-helix	trans	-78.5	-42.6	-178.9	-67.6	166.4	0	0	0	111.4	K640 H641 W642	K640-I644 HydrophobicContact CG-CD1 3.96Å; K640-I644 VanDerWaalsContact O-CG1 3.3Å; K640-I644 WeakPolarHBondContact O-CG1 3.03Å; K640-I644 PolarHBondContact O-N 2.98Å; K640-I644 VanDerWaalsContact O-N 3.14Å; H641-I644 PolarHBondContact O-N 2.69Å; W642-I644 VanDerWaalsContact C-N 3.29Å; W642-I644 PolarHBondContact O-N 2.96Å
645	Y	78.4	Confident	76.3	Confident	105 Å²	105	66.7 Å²	66.7	41%	0.412	34%	0.339	S	S	.	.	H	α-helix	trans	-102.5	-19.7	-168.1	-67.5	-73.5	0	0	0	114.9	H641	H641-Y645 AromaticContact CE1-CD2 3.27Å; H641-Y645 WeakPolarHBondContact CE1-CD2 3.03Å; H641-Y645 AromaticContact CE1-CE2 3.42Å; H641-Y645 VanDerWaalsContact CE1-CE2 3.42Å; H641-Y645 WeakPolarHBondContact CE1-CE2 3.26Å; H641-Y645 AromaticContact CG-CD2 3.93Å; H641-Y645 AromaticContact ND1-CD2 3.41Å; H641-Y645 WeakPolarHBondContact ND1-CD2 3.38Å; H641-Y645 AromaticContact ND1-CE2 3.41Å; H641-Y645 WeakPolarHBondContact ND1-CE2 3.35Å; H641-Y645 AromaticContact NE2-CD2 3.74Å; H641-Y645 VanDerWaalsContact O-CD2 3.3Å; H641-Y645 WeakPolarHBondContact O-CD2 3.48Å; H641-Y645 PolarHBondContact O-N 3.22Å; H641-Y645 VanDerWaalsContact O-N 3.12Å
646	F	79.3	Confident	76.3	Confident	12 Å²	12	69 Å²	69	5%	0.053	34%	0.344	C	S	.	.	S	Bend	trans	-118.1	151.1	-175.5	-54.7	-69.9	0	0	0	113.5	I314 I317 T318 L362 W642 T650	I314-F646 HydrophobicContact CB-CD1 4.41Å; I314-F646 HydrophobicContact CB-CE1 4.25Å; I314-F646 HydrophobicContact CG1-CD1 4.19Å; I314-F646 HydrophobicContact CG2-CD1 4.14Å; I314-F646 HydrophobicContact CG2-CE1 3.65Å; I314-F646 HydrophobicContact CG2-CE2 4.47Å; I314-F646 HydrophobicContact CG2-CZ 3.87Å; I317-F646 HydrophobicContact CB-CD1 4.12Å; I317-F646 HydrophobicContact CB-CE1 3.8Å; I317-F646 HydrophobicContact CD1-CD1 4.06Å; I317-F646 HydrophobicContact CG2-CD1 3.77Å; I317-F646 HydrophobicContact CG2-CE1 3.49Å; I317-F646 VanDerWaalsContact CG2-CE1 3.49Å; I317-F646 HydrophobicContact CG2-CZ 4.48Å; T318-F646 HydrophobicContact CG2-CE1 3.99Å; T318-F646 HydrophobicContact CG2-CZ 3.6Å; L362-F646 HydrophobicContact CD1-CE2 3.83Å; L362-F646 HydrophobicContact CD1-CZ 3.72Å; W642-F646 HydrophobicContact CB-CD2 4.24Å; W642-F646 AromaticContact CD1-CD2 3.64Å; W642-F646 AromaticContact CD2-CD2 3.98Å; W642-F646 HydrophobicContact CD2-CD2 3.98Å; W642-F646 HydrophobicContact CD2-CE2 4.41Å; W642-F646 AromaticContact CG-CD2 3.69Å; W642-F646 HydrophobicContact CG-CD2 3.69Å; W642-F646 HydrophobicContact CG-CE2 4.4Å; W642-F646 AromaticContact NE1-CD2 3.82Å; W642-F646 WeakPolarHBondContact O-CB 3.29Å; W642-F646 PolarHBondContact O-N 3.46Å; F646-T650 WeakPolarHBondContact CB-OG1 3.36Å
647	P	80.7	Confident	76.2	Confident	66 Å²	66	65.1 Å²	65.1	43%	0.429	32%	0.317	S	S	.	.			trans	-68.3	151.7	177.6	26.6	-32.9	0	0	0	112.2	I649 T650	P647-I649 PolarHBondContact O-N 3.49Å; P647-T650 HydrophobicContact CG-CG2 4.13Å; P647-T650 WeakPolarHBondContact O-CB 3.31Å; P647-T650 PolarHBondContact O-N 3.07Å; P647-T650 PolarHBondContact O-OG1 3Å
648	R	78.8	Confident	76.2	Confident	210 Å²	210	65.8 Å²	65.8	79%	0.792	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-54.6	-29.2	-173.8	-65.9	-177.1	-179.8	177.5	0.3	115.2	T650 Y651	R648-T650 PolarHBondContact O-N 3Å; R648-T650 VanDerWaalsContact O-N 3.13Å; R648-Y651 HydrophobicContact CB-CD2 4.49Å; R648-Y651 HydrophobicContact CB-CE2 4.25Å; R648-Y651 HydrophobicContact CG-CE2 3.9Å; R648-Y651 WeakPolarHBondContact O-CB 3.45Å; R648-Y651 PolarHBondContact O-N 2.84Å
649	I	74.5	Confident	75.8	Confident	140 Å²	140	74.6 Å²	74.6	72%	0.718	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-59.1	-25.4	178.7	-66.6	169.7	0	0	0	111.9	P647	P647-I649 PolarHBondContact O-N 3.49Å
650	T	78.4	Confident	74.8	Confident	5 Å²	5	78.8 Å²	78.8	3%	0.031	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-87.4	-8.6	-176.7	64.7	0	0	0	0	114.1	I310 I314 W642 F646 P647 R648 L653	I310-T650 HydrophobicContact CG2-CG2 3.98Å; I314-T650 HydrophobicContact CD1-CG2 3.89Å; I314-T650 HydrophobicContact CG1-CG2 3.88Å; W642-T650 PolarHBondContact NE1-O 3.18Å; W642-T650 PolarHBondContact NE1-OG1 2.86Å; F646-T650 WeakPolarHBondContact CB-OG1 3.36Å; P647-T650 HydrophobicContact CG-CG2 4.13Å; P647-T650 WeakPolarHBondContact O-CB 3.31Å; P647-T650 PolarHBondContact O-N 3.07Å; P647-T650 PolarHBondContact O-OG1 3Å; R648-T650 PolarHBondContact O-N 3Å; R648-T650 VanDerWaalsContact O-N 3.13Å; T650-L653 WeakPolarHBondContact O-CB 3.38Å; T650-L653 PolarHBondContact O-N 3.49Å; T650-L653 VanDerWaalsContact O-N 3.12Å
651	Y	79.4	Confident	73.5	Confident	65 Å²	65	76.4 Å²	76.4	26%	0.255	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.4	-171.7	-70.1	4.3	0	0	0	115.5	W642 M643 R648 L653 V654	W642-Y651 AromaticContact CD1-CD1 3.75Å; M643-Y651 WeakPolarHBondContact CA-OH 3.35Å; M643-Y651 HydrophobicContact CG-CE1 4.32Å; M643-Y651 HydrophobicContact CG-CE2 4.02Å; M643-Y651 PolarHBondContact O-OH 2.94Å; R648-Y651 HydrophobicContact CB-CD2 4.49Å; R648-Y651 HydrophobicContact CB-CE2 4.25Å; R648-Y651 HydrophobicContact CG-CE2 3.9Å; R648-Y651 WeakPolarHBondContact O-CB 3.45Å; R648-Y651 PolarHBondContact O-N 2.84Å; Y651-L653 PolarHBondContact O-N 2.88Å; Y651-L653 VanDerWaalsContact O-N 3.14Å; Y651-V654 VanDerWaalsContact O-CB 3.26Å; Y651-V654 WeakPolarHBondContact O-CB 3.38Å; Y651-V654 VanDerWaalsContact O-CG2 3.29Å; Y651-V654 WeakPolarHBondContact O-CG2 3.17Å; Y651-V654 PolarHBondContact O-N 3.23Å
652	P	77.5	Confident	72.4	Confident	89 Å²	89	78.4 Å²	78.4	58%	0.578	39%	0.39	S	S	*	.	H	α-helix	trans	-57.7	-27.3	175.1	-27	36.4	0	0	0	113.9	V654 H655	P652-V654 VanDerWaalsContact C-N 3.26Å; P652-V654 PolarHBondContact O-N 3.04Å; P652-H655 PolarHBondContact O-N 3.35Å
653	L	73.6	Confident	71.2	Confident	21 Å²	21	82.8 Å²	82.8	11%	0.11	41%	0.413	C	S	.	.	H	α-helix	trans	-70.7	-19.9	179	-64.8	169	0	0	0	113.2	F307 I310 I314 W642 T650 Y651 H655 L656 A657	F307-L653 HydrophobicContact CD2-CD2 4.25Å; F307-L653 HydrophobicContact CE2-CD2 3.52Å; F307-L653 HydrophobicContact CZ-CD2 4.37Å; I310-L653 HydrophobicContact CG2-CD1 3.46Å; I310-L653 VanDerWaalsContact CG2-CD1 3.46Å; I314-L653 HydrophobicContact CD1-CD1 3.63Å; W642-L653 HydrophobicContact CH2-CB 3.69Å; W642-L653 HydrophobicContact CZ2-CB 3.63Å; W642-L653 HydrophobicContact CZ2-CD1 4.34Å; T650-L653 WeakPolarHBondContact O-CB 3.38Å; T650-L653 PolarHBondContact O-N 3.49Å; T650-L653 VanDerWaalsContact O-N 3.12Å; Y651-L653 PolarHBondContact O-N 2.88Å; Y651-L653 VanDerWaalsContact O-N 3.14Å; L653-H655 PolarHBondContact O-N 2.83Å; L653-L656 HydrophobicContact CD2-CD1 4.06Å; L653-L656 PolarHBondContact O-N 2.83Å; L653-A657 PolarHBondContact O-N 3.03Å
654	V	75.5	Confident	69.8	Low	12 Å²	12	81.3 Å²	81.3	7%	0.073	41%	0.408	C	S	.	.	H	α-helix	trans	-59.1	-38.4	176.3	177	0	0	0	0	110.9	A639 W642 Y651 P652 A657 N658	A639-V654 HydrophobicContact CB-CG1 3.81Å; W642-V654 HydrophobicContact CB-CG2 3.73Å; W642-V654 HydrophobicContact CD2-CG2 3.32Å; W642-V654 HydrophobicContact CE3-CB 4.47Å; W642-V654 HydrophobicContact CE3-CG2 3.65Å; W642-V654 HydrophobicContact CG-CG2 3.32Å; W642-V654 HydrophobicContact CZ3-CG2 4.32Å; Y651-V654 VanDerWaalsContact O-CB 3.26Å; Y651-V654 WeakPolarHBondContact O-CB 3.38Å; Y651-V654 VanDerWaalsContact O-CG2 3.29Å; Y651-V654 WeakPolarHBondContact O-CG2 3.17Å; Y651-V654 PolarHBondContact O-N 3.23Å; P652-V654 VanDerWaalsContact C-N 3.26Å; P652-V654 PolarHBondContact O-N 3.04Å; V654-A657 PolarHBondContact O-N 3.37Å; V654-N658 WeakPolarHBondContact O-CB 3.43Å; V654-N658 PolarHBondContact O-N 3Å
655	H	72.9	Confident	68	Low	142 Å²	142	83.2 Å²	83.2	66%	0.657	42%	0.418	S	S	*	.	H	α-helix	trans	-68.1	-37.1	-180	-68.3	-67.8	0	0	0	112.3	P652 L653 N658 W659	P652-H655 PolarHBondContact O-N 3.35Å; L653-H655 PolarHBondContact O-N 2.83Å; H655-N658 PolarHBondContact O-N 3.44Å; H655-W659 WeakPolarHBondContact O-CB 3.31Å; H655-W659 PolarHBondContact O-N 2.91Å
656	L	68.6	Low	66.2	Low	78 Å²	78	85.1 Å²	85.1	41%	0.408	43%	0.429	S	S	.	.	H	α-helix	trans	-66.4	-43.6	174.9	-79.1	155.9	0	0	0	111.4	F365 L653 W659 F660	F365-L656 HydrophobicContact CZ-CB 4.36Å; L653-L656 HydrophobicContact CD2-CD1 4.06Å; L653-L656 PolarHBondContact O-N 2.83Å; L656-W659 HydrophobicContact CD2-CE3 4.49Å; L656-W659 PolarHBondContact O-N 3.41Å; L656-F660 PolarHBondContact O-N 2.92Å
657	A	66.8	Low	64.9	Low	2 Å²	2	92.2 Å²	92.2	2%	0.017	46%	0.456	C	S	.	.	H	α-helix	trans	-61.3	-44.5	175.5	0	0	0	0	0	112.1	F365 W642 L653 V654 W659 F660 C661	F365-A657 HydrophobicContact CE2-CB 3.79Å; F365-A657 HydrophobicContact CZ-CB 4.42Å; W642-A657 HydrophobicContact CZ3-CB 4.19Å; L653-A657 PolarHBondContact O-N 3.03Å; V654-A657 PolarHBondContact O-N 3.37Å; A657-W659 PolarHBondContact O-N 2.9Å; A657-F660 PolarHBondContact O-N 3.45Å; A657-C661 PolarHBondContact O-N 2.8Å
658	N	70.1	Confident	63.5	Low	45 Å²	45	94 Å²	94	24%	0.241	47%	0.465	C	S	.	.	H	α-helix	trans	-66	-35.9	178.3	-77.4	-14.2	0	0	0	113.1	G635 V654 H655 C661	G635-N658 VanDerWaalsContact CA-OD1 3.22Å; G635-N658 WeakPolarHBondContact CA-OD1 3.42Å; G635-N658 PolarHBondContact O-ND2 3.48Å; G635-N658 PolarHBondContact O-OD1 3.33Å; V654-N658 WeakPolarHBondContact O-CB 3.43Å; V654-N658 PolarHBondContact O-N 3Å; H655-N658 PolarHBondContact O-N 3.44Å; N658-C661 WeakPolarHBondContact O-CB 3.44Å; N658-C661 PolarHBondContact O-N 3.23Å
659	W	66.1	Low	62.3	Low	186 Å²	186	88.2 Å²	88.2	71%	0.705	46%	0.456	S	S	*	.	H	α-helix	trans	-65.5	-43.5	177.5	179.1	38.3	0	0	0	112.1	H655 L656 A657 C661 G662	H655-W659 WeakPolarHBondContact O-CB 3.31Å; H655-W659 PolarHBondContact O-N 2.91Å; L656-W659 HydrophobicContact CD2-CE3 4.49Å; L656-W659 PolarHBondContact O-N 3.41Å; A657-W659 PolarHBondContact O-N 2.9Å; W659-C661 VanDerWaalsContact C-N 3.27Å; W659-C661 PolarHBondContact O-N 3.34Å; W659-G662 PolarHBondContact O-N 3.39Å
660	F	56.4	Low	61.7	Low	115 Å²	115	86.3 Å²	86.3	50%	0.504	44%	0.442	S	S	.	.	H	α-helix	trans	-64.6	-32.9	179.7	-146.6	-98.8	0	0	0	112.3	F364 L656 A657 G662 L663	F364-F660 HydrophobicContact CE1-CE1 4.17Å; F364-F660 HydrophobicContact CE1-CZ 4.17Å; L656-F660 PolarHBondContact O-N 2.92Å; A657-F660 PolarHBondContact O-N 3.45Å; F660-G662 PolarHBondContact O-N 2.91Å; F660-L663 PolarHBondContact O-N 3.39Å
661	C	52.3	Low	61.2	Low	64 Å²	64	88.1 Å²	88.1	43%	0.432	46%	0.458	S	S	.	.	H	α-helix	trans	-61.9	-26.6	176.8	-167.3	0	0	0	0	113.5	A657 N658 W659 L663	A657-C661 PolarHBondContact O-N 2.8Å; N658-C661 WeakPolarHBondContact O-CB 3.44Å; N658-C661 PolarHBondContact O-N 3.23Å; W659-C661 VanDerWaalsContact C-N 3.27Å; W659-C661 PolarHBondContact O-N 3.34Å; C661-L663 VanDerWaalsContact C-N 3.31Å; C661-L663 PolarHBondContact O-N 2.66Å
662	G	54.1	Low	60.5	Low	63 Å²	63	89 Å²	89	65%	0.649	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-14.8	179.5	0	0	0	0	0	115.1	W659 F660 N664	W659-G662 PolarHBondContact O-N 3.39Å; F660-G662 PolarHBondContact O-N 2.91Å; G662-N664 PolarHBondContact O-N 2.94Å; G662-N664 VanDerWaalsContact O-N 3.09Å
663	L	51.8	Low	60.1	Low	96 Å²	96	90.1 Å²	90.1	50%	0.503	47%	0.468	S	S	.	.			trans	-86.4	79.2	-171.5	-65.9	170.8	0	0	0	112	F660 C661 L665	F660-L663 PolarHBondContact O-N 3.39Å; C661-L663 VanDerWaalsContact C-N 3.31Å; C661-L663 PolarHBondContact O-N 2.66Å; L663-L665 VanDerWaalsContact C-N 3.32Å; L663-L665 HydrophobicContact CB-CD1 4.24Å; L663-L665 PolarHBondContact O-N 3.38Å
664	N	50.1	Low	60.2	Low	88 Å²	88	93.4 Å²	93.4	47%	0.471	48%	0.479	S	S	.	.			trans	-82.6	68.1	179.6	-157.9	0.4	0	0	0	112.4	G662 F666 W667 K670	G662-N664 PolarHBondContact O-N 2.94Å; G662-N664 VanDerWaalsContact O-N 3.09Å; N664-F666 PolarHBondContact O-N 2.84Å; N664-W667 PolarHBondContact O-N 2.91Å; N664-K670 PolarHBondContact OD1-NZ 2.95Å
665	L	43.4	Very low	60.2	Low	143 Å²	143	96.2 Å²	96.2	75%	0.749	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-15.3	-172	-107.9	93.9	0	0	0	116.4	L663	L663-L665 VanDerWaalsContact C-N 3.32Å; L663-L665 HydrophobicContact CB-CD1 4.24Å; L663-L665 PolarHBondContact O-N 3.38Å
666	F	40.6	Very low	60.2	Low	145 Å²	145	95 Å²	95	64%	0.636	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	24.1	-174	-65.1	-72	0	0	0	114.6	N664 V668 C669 K670	N664-F666 PolarHBondContact O-N 2.84Å; F666-V668 PolarHBondContact O-N 3.38Å; F666-C669 PolarHBondContact O-N 2.96Å; F666-K670 PolarHBondContact O-N 3.29Å
667	W	51.6	Low	60.5	Low	162 Å²	162	95.8 Å²	95.8	61%	0.614	50%	0.496	S	S	*	.	H	α-helix	trans	-57.2	-42.8	-173	-177.6	74.6	0	0	0	114.1	N664 C669 K670 A671	N664-W667 PolarHBondContact O-N 2.91Å; W667-C669 PolarHBondContact O-N 2.84Å; W667-K670 WeakPolarHBondContact O-CB 3.38Å; W667-K670 PolarHBondContact O-N 3.43Å; W667-A671 PolarHBondContact O-N 3.21Å
668	V	51.7	Low	61.1	Low	103 Å²	103	100.1 Å²	100.1	62%	0.624	51%	0.512	S	S	*	.	H	α-helix	trans	-63.7	-43.4	-177.2	-177.4	0	0	0	0	112.1	F666 K670 A671 C672	F666-V668 PolarHBondContact O-N 3.38Å; V668-K670 VanDerWaalsContact C-N 3.31Å; V668-K670 PolarHBondContact O-N 3.47Å; V668-A671 PolarHBondContact O-N 2.85Å; V668-C672 PolarHBondContact O-N 3.32Å
669	C	53.2	Low	61.3	Low	88 Å²	88	101.8 Å²	101.8	60%	0.595	52%	0.521	S	S	*	.	H	α-helix	trans	-64.8	-35.1	176.5	-74	0	0	0	0	112.4	F666 W667 F673	F666-C669 PolarHBondContact O-N 2.96Å; W667-C669 PolarHBondContact O-N 2.84Å; C669-F673 PolarHBondContact O-N 2.91Å
670	K	62.4	Low	61.9	Low	101 Å²	101	100 Å²	100	44%	0.439	52%	0.518	S	S	.	.	H	α-helix	trans	-68.2	-37.3	176.7	-70.7	177.2	-178.6	172.5	0	111.4	N664 F666 W667 V668 R674	N664-K670 PolarHBondContact OD1-NZ 2.95Å; F666-K670 PolarHBondContact O-N 3.29Å; W667-K670 WeakPolarHBondContact O-CB 3.38Å; W667-K670 PolarHBondContact O-N 3.43Å; V668-K670 VanDerWaalsContact C-N 3.31Å; V668-K670 PolarHBondContact O-N 3.47Å; K670-R674 VanDerWaalsContact O-CG 3.28Å; K670-R674 WeakPolarHBondContact O-CG 3.38Å; K670-R674 PolarHBondContact O-N 3.21Å
671	A	66.3	Low	62.8	Low	43 Å²	43	96 Å²	96	36%	0.355	50%	0.501	S	S	.	.	H	α-helix	trans	-64.5	-48	178.8	0	0	0	0	0	112.4	W667 V668 F673 R674 C675	W667-A671 PolarHBondContact O-N 3.21Å; V668-A671 PolarHBondContact O-N 2.85Å; A671-F673 VanDerWaalsContact C-N 3.33Å; A671-F673 PolarHBondContact O-N 2.83Å; A671-R674 PolarHBondContact O-N 3.32Å; A671-C675 PolarHBondContact O-N 2.84Å; A671-C675 VanDerWaalsContact O-N 3.11Å
672	C	66.3	Low	63.9	Low	82 Å²	82	97.6 Å²	97.6	55%	0.554	51%	0.513	S	S	*	.	H	α-helix	trans	-61.4	-40.8	177.9	-65.6	0	0	0	0	112.4	V668 C675 L676	V668-C672 PolarHBondContact O-N 3.32Å; C672-C675 PolarHBondContact O-N 2.53Å; C672-L676 PolarHBondContact O-N 3Å
673	F	69.4	Low	64.8	Low	113 Å²	113	103.6 Å²	103.6	50%	0.496	52%	0.516	S	S	.	.	H	α-helix	trans	-66.2	-38.5	177.7	-174.6	-100.7	0	0	0	112.8	C669 A671 L676 K677	C669-F673 PolarHBondContact O-N 2.91Å; A671-F673 VanDerWaalsContact C-N 3.33Å; A671-F673 PolarHBondContact O-N 2.83Å; F673-L676 PolarHBondContact O-N 3.49Å; F673-K677 PolarHBondContact O-N 2.89Å
674	R	75.3	Confident	66	Low	91 Å²	91	106.2 Å²	106.2	34%	0.343	52%	0.524	S	S	.	.	H	α-helix	trans	-61.1	-44.5	174.8	-77.2	173.2	-177.2	178.2	-2.8	111.4	D627 K670 A671 L676 K677 R678	D627-R674 WeakPolarHBondContact OD1-CB 3.34Å; K670-R674 VanDerWaalsContact O-CG 3.28Å; K670-R674 WeakPolarHBondContact O-CG 3.38Å; K670-R674 PolarHBondContact O-N 3.21Å; A671-R674 PolarHBondContact O-N 3.32Å; R674-L676 PolarHBondContact O-N 3.38Å; R674-K677 PolarHBondContact O-N 2.76Å; R674-K677 VanDerWaalsContact O-N 3.15Å; R674-R678 WeakPolarHBondContact O-CG 3.32Å; R674-R678 PolarHBondContact O-N 3.45Å
675	C	74.4	Confident	67.3	Low	70 Å²	70	104 Å²	104	47%	0.473	51%	0.512	S	S	.	.	H	α-helix	trans	-58	-46.6	177.4	-171.8	0	0	0	0	112.4	A671 C672 K677 R678 L679	A671-C675 PolarHBondContact O-N 2.84Å; A671-C675 VanDerWaalsContact O-N 3.11Å; C672-C675 PolarHBondContact O-N 2.53Å; C675-K677 VanDerWaalsContact C-N 3.34Å; C675-K677 PolarHBondContact O-N 3.47Å; C675-R678 WeakPolarHBondContact O-CB 3.3Å; C675-R678 PolarHBondContact O-N 2.7Å; C675-L679 WeakPolarHBondContact O-CG 3.5Å; C675-L679 PolarHBondContact O-N 2.92Å
676	L	72.7	Confident	69.1	Low	116 Å²	116	99.2 Å²	99.2	61%	0.607	49%	0.489	S	S	*	.	H	α-helix	trans	-61.6	-40.3	175.8	-69.7	171.1	0	0	0	112.5	C672 F673 R674 L679 K680	C672-L676 PolarHBondContact O-N 3Å; F673-L676 PolarHBondContact O-N 3.49Å; R674-L676 PolarHBondContact O-N 3.38Å; L676-L679 PolarHBondContact O-N 3.41Å; L676-K680 PolarHBondContact O-N 3Å
677	K	75	Confident	71.1	Confident	95 Å²	95	96.4 Å²	96.4	41%	0.413	48%	0.484	S	S	.	.	H	α-helix	trans	-66.4	-37.9	178.1	-160	-174.1	170	-167.3	0	112	S626 F673 R674 C675 K680 M681	S626-K677 WeakPolarHBondContact O-CD 3.39Å; S626-K677 VanDerWaalsContact O-CE 3.31Å; S626-K677 WeakPolarHBondContact O-CE 3.36Å; S626-K677 PolarHBondContact O-NZ 2.81Å; F673-K677 PolarHBondContact O-N 2.89Å; R674-K677 PolarHBondContact O-N 2.76Å; R674-K677 VanDerWaalsContact O-N 3.15Å; C675-K677 VanDerWaalsContact C-N 3.34Å; C675-K677 PolarHBondContact O-N 3.47Å; K677-K680 PolarHBondContact O-N 3.23Å; K677-M681 WeakPolarHBondContact O-CG 3.44Å; K677-M681 PolarHBondContact O-N 3.27Å
678	R	79.7	Confident	72.6	Confident	94 Å²	94	91.3 Å²	91.3	36%	0.355	47%	0.471	S	S	.	.	H	α-helix	trans	-62.7	-49.1	174.4	-69	172.2	-166.9	-164.9	-7.3	111.6	H624 S626 D627 R674 C675 K680 M681 S682	H624-R678 VanDerWaalsContact CD2-CZ 3.41Å; H624-R678 PolarHBondContact CD2-NH2 3.29Å; H624-R678 VanDerWaalsContact CD2-NH2 3.34Å; H624-R678 PolarHBondContact NE2-NH1 2.79Å; S626-R678 WeakPolarHBondContact OG-CA 3.26Å; S626-R678 VanDerWaalsContact OG-CG 3.25Å; S626-R678 WeakPolarHBondContact OG-CG 3.48Å; S626-R678 PolarHBondContact OG-N 3.47Å; D627-R678 VanDerWaalsContact CG-NH2 3.31Å; D627-R678 IonicContact OD1-CZ 2.82Å; D627-R678 IonicContact OD1-NE 3.47Å; D627-R678 PolarHBondContact OD1-NE 3Å; D627-R678 IonicContact OD1-NH2 3.36Å; D627-R678 IonicContact OD2-CZ 3.2Å; D627-R678 IonicContact OD2-NE 3.76Å; D627-R678 PolarHBondContact OD2-NE 2.93Å; D627-R678 IonicContact OD2-NH2 2.76Å; D627-R678 PolarHBondContact OD2-NH2 3.06Å; R674-R678 WeakPolarHBondContact O-CG 3.32Å; R674-R678 PolarHBondContact O-N 3.45Å; C675-R678 WeakPolarHBondContact O-CB 3.3Å; C675-R678 PolarHBondContact O-N 2.7Å; R678-K680 VanDerWaalsContact C-N 3.31Å; R678-K680 PolarHBondContact O-N 2.99Å; R678-M681 PolarHBondContact O-N 3.1Å; R678-S682 WeakPolarHBondContact O-CB 3.31Å; R678-S682 PolarHBondContact O-N 3.37Å
679	L	75.6	Confident	74.1	Confident	80 Å²	80	87.3 Å²	87.3	42%	0.419	45%	0.446	S	S	.	.	H	α-helix	trans	-58.5	-44.9	178.1	-72.8	168.6	0	0	0	111.1	C675 L676 M681 S682 W683	C675-L679 WeakPolarHBondContact O-CG 3.5Å; C675-L679 PolarHBondContact O-N 2.92Å; L676-L679 PolarHBondContact O-N 3.41Å; L679-M681 PolarHBondContact O-N 3.34Å; L679-S682 PolarHBondContact O-N 3.11Å; L679-W683 WeakPolarHBondContact O-CB 3.16Å; L679-W683 PolarHBondContact O-N 3.18Å
680	K	76.8	Confident	75.5	Confident	147 Å²	147	87.8 Å²	87.8	64%	0.639	44%	0.442	S	S	*	.	H	α-helix	trans	-58.7	-48.6	176.1	-175.5	179.3	177.5	179.4	0	112.3	L676 K677 R678 S682 W683 F684	L676-K680 PolarHBondContact O-N 3Å; K677-K680 PolarHBondContact O-N 3.23Å; R678-K680 VanDerWaalsContact C-N 3.31Å; R678-K680 PolarHBondContact O-N 2.99Å; K680-S682 VanDerWaalsContact C-N 3.33Å; K680-S682 PolarHBondContact O-N 2.88Å; K680-W683 PolarHBondContact O-N 2.95Å; K680-F684 CarbonylContact O-C 3.6Å; K680-F684 WeakPolarHBondContact O-CA 3.39Å; K680-F684 PolarHBondContact O-N 3.49Å
681	M	76.4	Confident	76.2	Confident	32 Å²	32	83.2 Å²	83.2	16%	0.158	42%	0.423	C	S	.	.	H	α-helix	trans	-68.4	-31.3	-178.9	-74.2	-62.4	-68.6	0	0	113.1	V621 K677 R678 L679 L685 P686 L689	V621-M681 HydrophobicContact CG2-CE 4.43Å; K677-M681 WeakPolarHBondContact O-CG 3.44Å; K677-M681 PolarHBondContact O-N 3.27Å; R678-M681 PolarHBondContact O-N 3.1Å; L679-M681 PolarHBondContact O-N 3.34Å; M681-L685 HydrophobicContact CE-CD1 4.28Å; M681-P686 HydrophobicContact CE-CG 4.44Å; M681-P686 HydrophobicContact SD-CG 4.43Å; M681-L689 HydrophobicContact CE-CD1 3.79Å; M681-L689 HydrophobicContact CE-CD2 4.09Å
682	S	75.9	Confident	76.4	Confident	98 Å²	98	83.5 Å²	83.5	69%	0.685	43%	0.43	S	S	*	.	H	α-helix	trans	-74.3	-37.5	177.3	-175	0	0	0	0	112.9	R678 L679 K680	R678-S682 WeakPolarHBondContact O-CB 3.31Å; R678-S682 PolarHBondContact O-N 3.37Å; L679-S682 PolarHBondContact O-N 3.11Å; K680-S682 VanDerWaalsContact C-N 3.33Å; K680-S682 PolarHBondContact O-N 2.88Å
683	W	72.5	Confident	76.7	Confident	188 Å²	188	80.8 Å²	80.8	71%	0.712	41%	0.409	S	S	*	.	H	α-helix	trans	-89.6	-33.6	-176	-68.6	5.2	0	0	0	112.6	L679 K680	L679-W683 WeakPolarHBondContact O-CB 3.16Å; L679-W683 PolarHBondContact O-N 3.18Å; K680-W683 PolarHBondContact O-N 2.95Å
684	F	76.4	Confident	76.8	Confident	152 Å²	152	77 Å²	77	67%	0.667	40%	0.403	S	S	*	.			trans	-131.2	75.5	-176	-59.1	-76.7	0	0	0	110.1	K680 P686	K680-F684 CarbonylContact O-C 3.6Å; K680-F684 WeakPolarHBondContact O-CA 3.39Å; K680-F684 PolarHBondContact O-N 3.49Å; F684-P686 WeakPolarHBondContact O-CD 3.45Å
685	L	77	Confident	77.2	Confident	40 Å²	40	72.8 Å²	72.8	21%	0.209	39%	0.387	C	S	.	.			trans	-64.9	118.3	173.7	-165.4	75.4	0	0	0	108.7	Y619 V621 M681	Y619-L685 HydrophobicContact CD2-CD2 4.34Å; Y619-L685 HydrophobicContact CE1-CD2 4.34Å; Y619-L685 HydrophobicContact CE2-CD1 3.81Å; Y619-L685 HydrophobicContact CE2-CD2 3.84Å; Y619-L685 HydrophobicContact CE2-CG 3.87Å; Y619-L685 WeakPolarHBondContact OH-CG 3.43Å; V621-L685 HydrophobicContact CG2-CD1 3.83Å; M681-L685 HydrophobicContact CE-CD1 4.28Å
686	P	81	Confident	77.8	Confident	43 Å²	43	73.5 Å²	73.5	28%	0.279	38%	0.382	S	S	.	.			trans	-65.8	151.5	-174.7	25.4	-31.5	0	0	0	111.2	Y619 M681 F684 V688 L689	Y619-P686 WeakPolarHBondContact CE1-O 3.46Å; Y619-P686 VanDerWaalsContact CZ-O 3.32Å; Y619-P686 WeakPolarHBondContact OH-CD 3.25Å; Y619-P686 WeakPolarHBondContact OH-CG 3.09Å; Y619-P686 PolarHBondContact OH-O 2.76Å; M681-P686 HydrophobicContact CE-CG 4.44Å; M681-P686 HydrophobicContact SD-CG 4.43Å; F684-P686 WeakPolarHBondContact O-CD 3.45Å; P686-V688 PolarHBondContact O-N 3.18Å; P686-L689 HydrophobicContact CG-CB 4.21Å; P686-L689 HydrophobicContact CG-CD1 4.11Å
687	T	82.9	Confident	78.6	Confident	87 Å²	87	68 Å²	68	53%	0.534	35%	0.353	S	S	.	.	S	Bend	trans	-64.6	-32.7	174	42.5	0	0	0	0	111.9	K699	T687-K699 PolarHBondContact O-N 3.3Å
688	V	83.6	Confident	79.3	Confident	55 Å²	55	63.5 Å²	63.5	33%	0.333	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119.6	176.4	-178.2	0	0	0	0	108.7	P686 K696 L697 V698	P686-V688 PolarHBondContact O-N 3.18Å; V688-K696 HydrophobicContact CG1-CB 3.8Å; V688-K696 HydrophobicContact CG1-CD 3.56Å; V688-K696 HydrophobicContact CG1-CG 3.81Å; V688-L697 WeakPolarHBondContact CA-O 3.28Å; V688-V698 HydrophobicContact CG2-CG1 4.49Å
689	L	83.8	Confident	79.6	Confident	19 Å²	19	62.8 Å²	62.8	10%	0.099	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	113.8	177.6	178.5	62.9	0	0	0	109.8	Y619 V621 M681 P686 T691 K696 L697	Y619-L689 HydrophobicContact CD2-CD2 4.49Å; Y619-L689 HydrophobicContact CE2-CB 4.07Å; Y619-L689 HydrophobicContact CE2-CD2 3.72Å; V621-L689 HydrophobicContact CG1-CD2 3.79Å; M681-L689 HydrophobicContact CE-CD1 3.79Å; M681-L689 HydrophobicContact CE-CD2 4.09Å; P686-L689 HydrophobicContact CG-CB 4.21Å; P686-L689 HydrophobicContact CG-CD1 4.11Å; L689-T691 PolarHBondContact O-N 3.34Å; L689-K696 CarbonylContact O-C 3.53Å; L689-K696 WeakPolarHBondContact O-CA 2.99Å; L689-L697 HydrophobicContact CB-CB 4.28Å; L689-L697 HydrophobicContact CD2-CD1 4.29Å; L689-L697 PolarHBondContact N-O 3.15Å; L689-L697 PolarHBondContact O-N 3.13Å
690	D	81.6	Confident	79.9	Confident	97 Å²	97	61.8 Å²	61.8	52%	0.519	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	126.2	171.9	-166.6	-16.6	0	0	0	110.1	G692	D690-G692 VanDerWaalsContact C-N 3.3Å; D690-G692 PolarHBondContact OD1-N 2.67Å
691	T	77.7	Confident	80.1	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.031	32%	0.318	C	S	.	.			trans	-79.3	-15.3	177.1	65.7	0	0	0	0	112.1	R542 I544 L689 Q693 F695 L697	R542-T691 PolarHBondContact NH1-O 3.34Å; R542-T691 PolarHBondContact NH2-O 2.71Å; I544-T691 HydrophobicContact CD1-CG2 3.96Å; L689-T691 PolarHBondContact O-N 3.34Å; T691-Q693 PolarHBondContact OG1-N 3.48Å; T691-F695 WeakPolarHBondContact CB-O 3.33Å; T691-F695 HydrophobicContact CG2-CD2 4.01Å; T691-F695 HydrophobicContact CG2-CE2 3.66Å; T691-F695 HydrophobicContact CG2-CZ 4.17Å; T691-F695 WeakPolarHBondContact CG2-O 3.38Å; T691-F695 PolarHBondContact N-O 3.36Å; T691-F695 PolarHBondContact OG1-O 3.49Å; T691-L697 HydrophobicContact CG2-CD1 4.33Å; T691-L697 HydrophobicContact CG2-CD2 4.23Å; T691-L697 HydrophobicContact CG2-CG 3.82Å
692	G	70.3	Confident	80.3	Confident	49 Å²	49	58.9 Å²	58.9	51%	0.505	33%	0.326	S	S	.	.	S	Bend	trans	76.8	8.5	-172.5	0	0	0	0	0	114	D690	D690-G692 VanDerWaalsContact C-N 3.3Å; D690-G692 PolarHBondContact OD1-N 2.67Å
693	Q	71.8	Confident	80.5	Confident	25 Å²	25	56.7 Å²	56.7	12%	0.117	31%	0.306	C	S	.	.	S	Bend	trans	-108.2	11.7	172.9	-67.2	-70.6	8.9	0	0	112.4	G412 T413 T500 R542 T691 F695	G412-Q693 PolarHBondContact O-NE2 3.45Å; G412-Q693 PolarHBondContact O-OE1 3.39Å; T413-Q693 PolarHBondContact O-NE2 2.73Å; T500-Q693 PolarHBondContact OG1-NE2 2.71Å; R542-Q693 VanDerWaalsContact NH2-CG 3.27Å; T691-Q693 PolarHBondContact OG1-N 3.48Å; Q693-F695 HydrophobicContact CB-CD1 3.89Å; Q693-F695 HydrophobicContact CB-CE1 3.57Å; Q693-F695 HydrophobicContact CB-CZ 4.49Å; Q693-F695 HydrophobicContact CG-CE1 4.43Å
694	G	72.5	Confident	81	Confident	35 Å²	35	49 Å²	49	36%	0.361	28%	0.282	S	S	.	.	S	Bend	trans	84.8	5.3	179.9	0	0	0	0	0	115.2	H461	H461-G694 PolarHBondContact CE1-O 3.4Å; H461-G694 PolarHBondContact ND1-O 2.82Å
695	F	83.3	Confident	81.3	Confident	1 Å²	1	42.6 Å²	42.6	0%	0.004	26%	0.258	C	S	.	.			trans	-128.5	159.8	170.3	69.5	-91.1	0	0	0	111.4	F457 I463 I502 I544 W595 N599 T691 Q693	F457-F695 HydrophobicContact CE2-CB 3.93Å; F457-F695 HydrophobicContact CE2-CD2 4.48Å; F457-F695 HydrophobicContact CE2-CG 4.14Å; F457-F695 HydrophobicContact CZ-CB 4.02Å; F457-F695 AromaticContact CZ-CD1 3.96Å; F457-F695 HydrophobicContact CZ-CD1 3.96Å; F457-F695 AromaticContact CZ-CD2 3.9Å; F457-F695 HydrophobicContact CZ-CD2 3.9Å; F457-F695 HydrophobicContact CZ-CE1 4.39Å; F457-F695 HydrophobicContact CZ-CE2 4.34Å; F457-F695 AromaticContact CZ-CG 3.71Å; F457-F695 HydrophobicContact CZ-CG 3.71Å; I463-F695 HydrophobicContact CD1-CE1 4.41Å; I502-F695 HydrophobicContact CD1-CE1 3.67Å; I502-F695 HydrophobicContact CD1-CE2 4.36Å; I502-F695 HydrophobicContact CD1-CZ 3.42Å; I502-F695 VanDerWaalsContact CD1-CZ 3.42Å; I502-F695 HydrophobicContact CG1-CZ 4.18Å; I544-F695 HydrophobicContact CD1-CE2 4.18Å; I544-F695 HydrophobicContact CD1-CZ 3.95Å; W595-F695 HydrophobicContact CH2-CD2 4.45Å; W595-F695 HydrophobicContact CZ2-CD2 4.21Å; N599-F695 HydrophobicContact CB-CB 4.3Å; T691-F695 WeakPolarHBondContact CB-O 3.33Å; T691-F695 HydrophobicContact CG2-CD2 4.01Å; T691-F695 HydrophobicContact CG2-CE2 3.66Å; T691-F695 HydrophobicContact CG2-CZ 4.17Å; T691-F695 WeakPolarHBondContact CG2-O 3.38Å; T691-F695 PolarHBondContact N-O 3.36Å; T691-F695 PolarHBondContact OG1-O 3.49Å; Q693-F695 HydrophobicContact CB-CD1 3.89Å; Q693-F695 HydrophobicContact CB-CE1 3.57Å; Q693-F695 HydrophobicContact CB-CZ 4.49Å; Q693-F695 HydrophobicContact CG-CE1 4.43Å
696	K	88.1	Confident	81.6	Confident	86 Å²	86	42.7 Å²	42.7	37%	0.374	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.8	-169.1	-69.3	158.8	170.6	-177.8	0	111.8	Y598 N599 V688 L689 V698	Y598-K696 HydrophobicContact CE1-CB 4.33Å; Y598-K696 HydrophobicContact CE1-CD 4.3Å; N599-K696 PolarHBondContact OD1-N 2.63Å; N599-K696 PolarHBondContact OD1-O 3.12Å; V688-K696 HydrophobicContact CG1-CB 3.8Å; V688-K696 HydrophobicContact CG1-CD 3.56Å; V688-K696 HydrophobicContact CG1-CG 3.81Å; L689-K696 CarbonylContact O-C 3.53Å; L689-K696 WeakPolarHBondContact O-CA 2.99Å; K696-V698 HydrophobicContact CB-CG1 4.5Å
697	L	88.6	Confident	81.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	139.3	163.9	-52.1	-179.3	0	0	0	108.4	I544 A568 Q570 Y619 V688 L689 T691	I544-L697 HydrophobicContact CG2-CD2 4.07Å; A568-L697 HydrophobicContact CB-CD1 3.71Å; Q570-L697 HydrophobicContact CB-CD2 4.2Å; Y619-L697 HydrophobicContact CD1-CB 4.42Å; Y619-L697 HydrophobicContact CD2-CB 4.27Å; Y619-L697 HydrophobicContact CD2-CD1 4.48Å; Y619-L697 HydrophobicContact CG-CB 4.13Å; V688-L697 WeakPolarHBondContact CA-O 3.28Å; L689-L697 HydrophobicContact CB-CB 4.28Å; L689-L697 HydrophobicContact CD2-CD1 4.29Å; L689-L697 PolarHBondContact N-O 3.15Å; L689-L697 PolarHBondContact O-N 3.13Å; T691-L697 HydrophobicContact CG2-CD1 4.33Å; T691-L697 HydrophobicContact CG2-CD2 4.23Å; T691-L697 HydrophobicContact CG2-CG 3.82Å
698	V	89.6	Confident	81.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.9	-166.3	-68.9	0	0	0	0	111.4	Q570 Y598 W608 A617 Y619 V688 K696	Q570-V698 PolarHBondContact NE2-O 3.38Å; Q570-V698 PolarHBondContact OE1-O 3.04Å; Y598-V698 HydrophobicContact CD1-CG1 3.97Å; Y598-V698 HydrophobicContact CE1-CG1 3.46Å; Y598-V698 VanDerWaalsContact CE1-CG1 3.46Å; W608-V698 HydrophobicContact CD2-CB 4.39Å; W608-V698 HydrophobicContact CD2-CG2 4Å; W608-V698 HydrophobicContact CG-CB 3.96Å; W608-V698 HydrophobicContact CG-CG1 4.39Å; W608-V698 HydrophobicContact CG-CG2 4.09Å; W608-V698 HydrophobicContact CZ2-CG2 4.32Å; A617-V698 HydrophobicContact CB-CB 4.5Å; A617-V698 HydrophobicContact CB-CG2 3.75Å; A617-V698 WeakPolarHBondContact CB-O 3.46Å; Y619-V698 WeakPolarHBondContact CD1-O 3.22Å; V688-V698 HydrophobicContact CG2-CG1 4.49Å; K696-V698 HydrophobicContact CB-CG1 4.5Å
699	K	86.4	Confident	81.3	Confident	79 Å²	79	38 Å²	38	34%	0.343	23%	0.231	S	C	.	.			trans	-126.1	130.8	175.4	177.6	-176.3	174.6	-163.5	0	109	A617 Y619 T687	A617-K699 WeakPolarHBondContact O-CA 3.31Å; Y619-K699 HydrophobicContact CD1-CB 3.63Å; Y619-K699 HydrophobicContact CE1-CB 3.56Å; T687-K699 PolarHBondContact O-N 3.3Å
700	S	82.1	Confident	81.1	Confident	60 Å²	60	39.7 Å²	39.7	42%	0.42	24%	0.243	S	C	.	.			trans	-76.1	0	172.2	-71.4	0	0	0	0	113.9	W608 A617	W608-S700 WeakPolarHBondContact O-CA 3.32Å; W608-S700 WeakPolarHBondContact O-CB 3.44Å; W608-S700 PolarHBondContact O-OG 3.08Å; A617-S700 PolarHBondContact N-OG 2.86Å; A617-S700 PolarHBondContact O-N 3.17Å

Retrieved 700 of 700 residues in 1413.2 ms (Link to these results)

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