A0A5K4FEL7_SCHMA Loading...

Heparosan-N-sulfate-glucuronate 5-epimerase

AlphaFold DB , UniProt , Accession A0A5K4FEL7, Species SCHMA (Schistosoma mansoni, Blood fluke), 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	40.2	Very low	51.8	Low	190 Å²	190	151.1 Å²	151.1	94%	0.936	67%	0.674	S	S	*	*				0	-42.2	0	-134.7	168.5	82.3	0	0	113.4	L3 R4	M1-L3 PolarHBondContact O-N 3.31Å; M1-R4 PolarHBondContact O-N 3.47Å
2	W	35.6	Very low	53.5	Low	201 Å²	201	148.3 Å²	148.3	76%	0.761	66%	0.661	S	S	*	*	H	α-helix	trans	-58.5	-42.7	178.1	-111.2	72.7	0	0	0	114.8	R4 R5 F6	W2-R4 VanDerWaalsContact C-N 3.31Å; W2-R4 PolarHBondContact O-N 3.39Å; W2-R5 PolarHBondContact O-N 3.46Å; W2-R5 VanDerWaalsContact O-N 3.14Å; W2-F6 HydrophobicContact CE3-CD2 4.36Å; W2-F6 HydrophobicContact CE3-CE2 4.5Å; W2-F6 HydrophobicContact CZ3-CD2 4.37Å; W2-F6 HydrophobicContact CZ3-CE2 4.07Å; W2-F6 PolarHBondContact O-N 3.05Å
3	L	41.6	Very low	54.5	Low	151 Å²	151	145 Å²	145	79%	0.791	65%	0.65	S	S	*	*	H	α-helix	trans	-60.1	-33.2	177.3	-85.7	150.3	0	0	0	114.1	M1 T7	M1-L3 PolarHBondContact O-N 3.31Å; L3-T7 PolarHBondContact O-N 3.29Å; L3-T7 PolarHBondContact O-OG1 3.42Å
4	R	44.5	Very low	55	Low	215 Å²	215	148.1 Å²	148.1	81%	0.811	65%	0.654	S	S	*	*	H	α-helix	trans	-74.1	-29.4	176.4	-83	-173.5	176.2	-178	-1	113.1	M1 W2 T7 S8	M1-R4 PolarHBondContact O-N 3.47Å; W2-R4 VanDerWaalsContact C-N 3.31Å; W2-R4 PolarHBondContact O-N 3.39Å; R4-T7 PolarHBondContact O-OG1 3.2Å; R4-S8 PolarHBondContact O-N 3.14Å
5	R	49.4	Very low	56.1	Low	186 Å²	186	144.6 Å²	144.6	70%	0.702	65%	0.65	S	S	*	*	H	α-helix	trans	-72.6	-36.3	174.5	-79.6	-173.2	175.2	179.9	-0.8	111.6	W2 F9	W2-R5 PolarHBondContact O-N 3.46Å; W2-R5 VanDerWaalsContact O-N 3.14Å; R5-F9 WeakPolarHBondContact O-CB 3.38Å; R5-F9 PolarHBondContact O-N 3.23Å; R5-F9 VanDerWaalsContact O-N 3.1Å
6	F	51.4	Low	56.8	Low	120 Å²	120	146.3 Å²	146.3	53%	0.526	65%	0.65	S	S	.	*	H	α-helix	trans	-66.9	-41.5	179.6	-122.6	-91.2	0	0	0	113	W2 F9 Q10	W2-F6 HydrophobicContact CE3-CD2 4.36Å; W2-F6 HydrophobicContact CE3-CE2 4.5Å; W2-F6 HydrophobicContact CZ3-CD2 4.37Å; W2-F6 HydrophobicContact CZ3-CE2 4.07Å; W2-F6 PolarHBondContact O-N 3.05Å; F6-F9 PolarHBondContact O-N 2.97Å; F6-Q10 PolarHBondContact O-N 3.01Å
7	T	59.1	Low	57.7	Low	84 Å²	84	146.2 Å²	146.2	52%	0.515	65%	0.648	S	S	.	*	H	α-helix	trans	-69.9	-36.8	179.2	53.9	0	0	0	0	112.8	L3 R4 R11	L3-T7 PolarHBondContact O-N 3.29Å; L3-T7 PolarHBondContact O-OG1 3.42Å; R4-T7 PolarHBondContact O-OG1 3.2Å; T7-R11 PolarHBondContact O-N 3.1Å
8	S	60.8	Low	58.3	Low	79 Å²	79	143.8 Å²	143.8	55%	0.552	64%	0.643	S	S	*	*	H	α-helix	trans	-65	-40.4	173.3	-172.2	0	0	0	0	111.9	R4 R11 F12	R4-S8 PolarHBondContact O-N 3.14Å; S8-R11 PolarHBondContact O-N 3.28Å; S8-F12 WeakPolarHBondContact O-CB 3.48Å; S8-F12 PolarHBondContact O-N 3.39Å
9	F	66	Low	58.8	Low	124 Å²	124	145.4 Å²	145.4	54%	0.544	64%	0.644	S	S	.	*	H	α-helix	trans	-67.2	-41.4	177.7	-171.6	-102.7	0	0	0	112.1	R5 F6 F12 M13	R5-F9 WeakPolarHBondContact O-CB 3.38Å; R5-F9 PolarHBondContact O-N 3.23Å; R5-F9 VanDerWaalsContact O-N 3.1Å; F6-F9 PolarHBondContact O-N 2.97Å; F9-F12 PolarHBondContact O-N 2.99Å; F9-M13 HydrophobicContact CD1-CG 4.17Å; F9-M13 HydrophobicContact CE1-CE 4.3Å; F9-M13 HydrophobicContact CE1-CG 3.83Å; F9-M13 HydrophobicContact CE1-SD 4.5Å; F9-M13 HydrophobicContact CE2-CG 4.5Å; F9-M13 HydrophobicContact CZ-CE 4.28Å; F9-M13 HydrophobicContact CZ-CG 4.01Å; F9-M13 HydrophobicContact CZ-SD 4.23Å; F9-M13 WeakPolarHBondContact O-CB 3.5Å; F9-M13 WeakPolarHBondContact O-CG 3.36Å; F9-M13 PolarHBondContact O-N 2.91Å
10	Q	61.8	Low	59.4	Low	112 Å²	112	145.4 Å²	145.4	52%	0.523	64%	0.643	S	S	.	*	H	α-helix	trans	-63.8	-40.6	174.4	-77.4	-173.5	-18.8	0	0	112.7	F6 M13 R14	F6-Q10 PolarHBondContact O-N 3.01Å; Q10-M13 PolarHBondContact O-N 2.91Å; Q10-R14 WeakPolarHBondContact O-CG 3.37Å; Q10-R14 PolarHBondContact O-N 3.37Å
11	R	59.9	Low	60.1	Low	200 Å²	200	142 Å²	142	76%	0.755	63%	0.634	S	S	*	*	H	α-helix	trans	-62.5	-43	173.5	-110.1	-178.6	177.3	179.4	-0.2	111.6	T7 S8 R14 V15	T7-R11 PolarHBondContact O-N 3.1Å; S8-R11 PolarHBondContact O-N 3.28Å; R11-R14 PolarHBondContact O-N 3.44Å; R11-V15 WeakPolarHBondContact O-CG2 3.41Å; R11-V15 PolarHBondContact O-N 3.16Å; R11-V15 VanDerWaalsContact O-N 3.16Å
12	F	71.9	Confident	61.7	Low	117 Å²	117	142.2 Å²	142.2	51%	0.513	63%	0.625	S	S	.	*	H	α-helix	trans	-63.9	-42.1	178.9	-167.5	-98.5	0	0	0	112.4	S8 F9 R16	S8-F12 WeakPolarHBondContact O-CB 3.48Å; S8-F12 PolarHBondContact O-N 3.39Å; F9-F12 PolarHBondContact O-N 2.99Å; F12-R16 PolarHBondContact O-N 3.47Å
13	M	66.8	Low	63.6	Low	106 Å²	106	137.4 Å²	137.4	52%	0.522	61%	0.613	S	S	.	*	H	α-helix	trans	-67.2	-40.2	176	-72.6	-73.4	-99.4	0	0	112.4	F9 Q10 V15 R16 F17	F9-M13 HydrophobicContact CD1-CG 4.17Å; F9-M13 HydrophobicContact CE1-CE 4.3Å; F9-M13 HydrophobicContact CE1-CG 3.83Å; F9-M13 HydrophobicContact CE1-SD 4.5Å; F9-M13 HydrophobicContact CE2-CG 4.5Å; F9-M13 HydrophobicContact CZ-CE 4.28Å; F9-M13 HydrophobicContact CZ-CG 4.01Å; F9-M13 HydrophobicContact CZ-SD 4.23Å; F9-M13 WeakPolarHBondContact O-CB 3.5Å; F9-M13 WeakPolarHBondContact O-CG 3.36Å; F9-M13 PolarHBondContact O-N 2.91Å; Q10-M13 PolarHBondContact O-N 2.91Å; M13-V15 PolarHBondContact O-N 3.29Å; M13-R16 PolarHBondContact O-N 3.44Å; M13-F17 WeakPolarHBondContact O-CB 3.37Å; M13-F17 PolarHBondContact O-N 2.97Å
14	R	61.3	Low	65	Low	188 Å²	188	136.8 Å²	136.8	71%	0.709	60%	0.604	S	S	*	*	H	α-helix	trans	-62.1	-41.5	176.7	-81.3	-175.8	177.1	-173.3	0.4	112.9	Q10 R11 F17 L18	Q10-R14 WeakPolarHBondContact O-CG 3.37Å; Q10-R14 PolarHBondContact O-N 3.37Å; R11-R14 PolarHBondContact O-N 3.44Å; R14-F17 PolarHBondContact O-N 3.01Å; R14-L18 WeakPolarHBondContact O-CB 3.47Å; R14-L18 WeakPolarHBondContact O-CG 3.44Å; R14-L18 PolarHBondContact O-N 3.48Å
15	V	71.6	Confident	66.5	Low	96 Å²	96	128.3 Å²	128.3	58%	0.582	58%	0.584	S	S	*	*	H	α-helix	trans	-65	-43.2	178.7	174.5	0	0	0	0	110.8	R11 M13 W19	R11-V15 WeakPolarHBondContact O-CG2 3.41Å; R11-V15 PolarHBondContact O-N 3.16Å; R11-V15 VanDerWaalsContact O-N 3.16Å; M13-V15 PolarHBondContact O-N 3.29Å; V15-W19 WeakPolarHBondContact O-CB 3.3Å; V15-W19 PolarHBondContact O-N 3.37Å
16	R	67.4	Low	67.7	Low	172 Å²	172	126.9 Å²	126.9	65%	0.649	58%	0.583	S	S	*	*	H	α-helix	trans	-67.3	-40.3	176.2	-85.1	-172.2	161	179.6	-3.6	112.9	F12 M13 W19 F20	F12-R16 PolarHBondContact O-N 3.47Å; M13-R16 PolarHBondContact O-N 3.44Å; R16-W19 PolarHBondContact O-N 2.96Å; R16-F20 WeakPolarHBondContact O-CB 3.26Å; R16-F20 PolarHBondContact O-N 2.89Å
17	F	72.6	Confident	68.9	Low	144 Å²	144	124.4 Å²	124.4	63%	0.632	58%	0.58	S	S	*	*	H	α-helix	trans	-63.1	-44.8	176.4	-174.6	-101.2	0	0	0	111.6	M13 R14 W19 F20 V21	M13-F17 WeakPolarHBondContact O-CB 3.37Å; M13-F17 PolarHBondContact O-N 2.97Å; R14-F17 PolarHBondContact O-N 3.01Å; F17-W19 VanDerWaalsContact C-N 3.31Å; F17-W19 PolarHBondContact O-N 3.17Å; F17-F20 PolarHBondContact O-N 2.99Å; F17-V21 HydrophobicContact CD1-CG2 4.05Å; F17-V21 HydrophobicContact CE1-CG2 3.72Å; F17-V21 HydrophobicContact CE2-CG2 4.31Å; F17-V21 HydrophobicContact CG-CG2 4.49Å; F17-V21 HydrophobicContact CZ-CG2 3.86Å; F17-V21 WeakPolarHBondContact O-CB 3.43Å; F17-V21 VanDerWaalsContact O-CG2 3.29Å; F17-V21 WeakPolarHBondContact O-CG2 3.42Å; F17-V21 PolarHBondContact O-N 3.28Å
18	L	67.4	Low	69.9	Low	104 Å²	104	124.1 Å²	124.1	55%	0.545	58%	0.579	S	S	.	*	H	α-helix	trans	-62.4	-37.3	174.6	-76.3	165.9	0	0	0	112.4	R14 R22	R14-L18 WeakPolarHBondContact O-CB 3.47Å; R14-L18 WeakPolarHBondContact O-CG 3.44Å; R14-L18 PolarHBondContact O-N 3.48Å; L18-R22 WeakPolarHBondContact O-CB 3.08Å; L18-R22 VanDerWaalsContact O-CG 3.28Å; L18-R22 WeakPolarHBondContact O-CG 3.49Å; L18-R22 PolarHBondContact O-N 2.81Å
19	W	68.6	Low	70.8	Confident	174 Å²	174	124.9 Å²	124.9	66%	0.659	58%	0.58	S	S	*	*	H	α-helix	trans	-66.8	-41.4	174.8	-135.9	78.2	0	0	0	111.7	V15 R16 F17 R22 L23	V15-W19 WeakPolarHBondContact O-CB 3.3Å; V15-W19 PolarHBondContact O-N 3.37Å; R16-W19 PolarHBondContact O-N 2.96Å; F17-W19 VanDerWaalsContact C-N 3.31Å; F17-W19 PolarHBondContact O-N 3.17Å; W19-R22 PolarHBondContact O-N 3.2Å; W19-L23 HydrophobicContact CD2-CD1 4.42Å; W19-L23 HydrophobicContact CE3-CD1 3.41Å; W19-L23 VanDerWaalsContact CE3-CD1 3.41Å; W19-L23 HydrophobicContact CH2-CD1 4.05Å; W19-L23 HydrophobicContact CZ3-CD1 3.19Å; W19-L23 PolarHBondContact O-N 3.36Å
20	F	70.5	Confident	71.6	Confident	144 Å²	144	124 Å²	124	63%	0.632	58%	0.58	S	S	*	*	H	α-helix	trans	-66.5	-44	177.8	-147.1	-89.2	0	0	0	111.7	R16 F17 R22 L23 F24	R16-F20 WeakPolarHBondContact O-CB 3.26Å; R16-F20 PolarHBondContact O-N 2.89Å; F17-F20 PolarHBondContact O-N 2.99Å; F20-R22 VanDerWaalsContact C-N 3.33Å; F20-R22 PolarHBondContact O-N 3.22Å; F20-L23 PolarHBondContact O-N 2.97Å; F20-F24 HydrophobicContact CE1-CD2 4.24Å; F20-F24 WeakPolarHBondContact O-CB 3.23Å; F20-F24 PolarHBondContact O-N 3.42Å
21	V	74.3	Confident	72.4	Confident	76 Å²	76	122.4 Å²	122.4	46%	0.461	58%	0.578	S	S	.	*	H	α-helix	trans	-62.6	-39	175	172.7	0	0	0	0	111.2	F17 G25	F17-V21 HydrophobicContact CD1-CG2 4.05Å; F17-V21 HydrophobicContact CE1-CG2 3.72Å; F17-V21 HydrophobicContact CE2-CG2 4.31Å; F17-V21 HydrophobicContact CG-CG2 4.49Å; F17-V21 HydrophobicContact CZ-CG2 3.86Å; F17-V21 WeakPolarHBondContact O-CB 3.43Å; F17-V21 VanDerWaalsContact O-CG2 3.29Å; F17-V21 WeakPolarHBondContact O-CG2 3.42Å; F17-V21 PolarHBondContact O-N 3.28Å; V21-G25 PolarHBondContact O-N 2.75Å
22	R	73.3	Confident	73.3	Confident	194 Å²	194	115 Å²	115	73%	0.732	56%	0.56	S	S	*	*	H	α-helix	trans	-65.2	-41.9	174.4	-77.4	178.9	-179.7	-167.5	0.5	112.4	L18 W19 F20 F26	L18-R22 WeakPolarHBondContact O-CB 3.08Å; L18-R22 VanDerWaalsContact O-CG 3.28Å; L18-R22 WeakPolarHBondContact O-CG 3.49Å; L18-R22 PolarHBondContact O-N 2.81Å; W19-R22 PolarHBondContact O-N 3.2Å; F20-R22 VanDerWaalsContact C-N 3.33Å; F20-R22 PolarHBondContact O-N 3.22Å; R22-F26 WeakPolarHBondContact O-CB 3.28Å; R22-F26 PolarHBondContact O-N 3.39Å
23	L	74.7	Confident	73.6	Confident	99 Å²	99	116.5 Å²	116.5	52%	0.518	57%	0.567	S	S	.	*	H	α-helix	trans	-67.2	-42.5	177.5	-117.7	145.2	0	0	0	112	W19 F20 F26 S27	W19-L23 HydrophobicContact CD2-CD1 4.42Å; W19-L23 HydrophobicContact CE3-CD1 3.41Å; W19-L23 VanDerWaalsContact CE3-CD1 3.41Å; W19-L23 HydrophobicContact CH2-CD1 4.05Å; W19-L23 HydrophobicContact CZ3-CD1 3.19Å; W19-L23 PolarHBondContact O-N 3.36Å; F20-L23 PolarHBondContact O-N 2.97Å; L23-F26 PolarHBondContact O-N 2.85Å; L23-S27 WeakPolarHBondContact O-CB 3.39Å; L23-S27 PolarHBondContact O-N 3.5Å
24	F	72.7	Confident	74.2	Confident	138 Å²	138	114.9 Å²	114.9	61%	0.605	56%	0.562	S	S	*	*	H	α-helix	trans	-67.5	-43.8	177.9	-141.2	-91	0	0	0	111.1	F20 F26 S27 V28	F20-F24 HydrophobicContact CE1-CD2 4.24Å; F20-F24 WeakPolarHBondContact O-CB 3.23Å; F20-F24 PolarHBondContact O-N 3.42Å; F24-F26 VanDerWaalsContact C-N 3.34Å; F24-F26 PolarHBondContact O-N 3.2Å; F24-S27 PolarHBondContact O-N 2.86Å; F24-V28 HydrophobicContact CD1-CG2 4.13Å; F24-V28 HydrophobicContact CE1-CG2 4.38Å; F24-V28 VanDerWaalsContact O-CG2 3.32Å; F24-V28 WeakPolarHBondContact O-CG2 3.42Å; F24-V28 PolarHBondContact O-N 2.84Å
25	G	74.6	Confident	74.9	Confident	37 Å²	37	109.8 Å²	109.8	38%	0.381	55%	0.552	S	S	.	*	H	α-helix	trans	-59.1	-43.1	173.6	0	0	0	0	0	112.5	V21 V28 V29	V21-G25 PolarHBondContact O-N 2.75Å; G25-V28 PolarHBondContact O-N 2.84Å; G25-V29 VanDerWaalsContact O-CG2 3.29Å; G25-V29 WeakPolarHBondContact O-CG2 3.45Å; G25-V29 PolarHBondContact O-N 3.15Å
26	F	76.2	Confident	74.9	Confident	156 Å²	156	110.9 Å²	110.9	68%	0.684	55%	0.554	S	S	*	*	H	α-helix	trans	-66.2	-39.5	177	-157.6	-91.5	0	0	0	112.2	R22 L23 F24 L30	R22-F26 WeakPolarHBondContact O-CB 3.28Å; R22-F26 PolarHBondContact O-N 3.39Å; L23-F26 PolarHBondContact O-N 2.85Å; F24-F26 VanDerWaalsContact C-N 3.34Å; F24-F26 PolarHBondContact O-N 3.2Å; F26-L30 WeakPolarHBondContact O-CB 3.41Å; F26-L30 PolarHBondContact O-N 3.43Å
27	S	76.3	Confident	74.9	Confident	68 Å²	68	111 Å²	111	48%	0.476	55%	0.554	S	S	.	*	H	α-helix	trans	-63.4	-43.8	175.7	-168.9	0	0	0	0	111.8	L23 F24 L30 T31	L23-S27 WeakPolarHBondContact O-CB 3.39Å; L23-S27 PolarHBondContact O-N 3.5Å; F24-S27 PolarHBondContact O-N 2.86Å; S27-L30 PolarHBondContact O-N 3.37Å; S27-T31 PolarHBondContact O-N 3.14Å; S27-T31 PolarHBondContact O-OG1 3.19Å
28	V	80.1	Confident	74.3	Confident	79 Å²	79	111.3 Å²	111.3	48%	0.479	56%	0.556	S	S	.	*	H	α-helix	trans	-64.4	-45.1	179.1	172.2	0	0	0	0	111.1	F24 G25 L30 T31 A32	F24-V28 HydrophobicContact CD1-CG2 4.13Å; F24-V28 HydrophobicContact CE1-CG2 4.38Å; F24-V28 VanDerWaalsContact O-CG2 3.32Å; F24-V28 WeakPolarHBondContact O-CG2 3.42Å; F24-V28 PolarHBondContact O-N 2.84Å; G25-V28 PolarHBondContact O-N 2.84Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 3.02Å; V28-T31 WeakPolarHBondContact CA-OG1 3.28Å; V28-T31 PolarHBondContact O-N 3.19Å; V28-T31 PolarHBondContact O-OG1 2.85Å; V28-A32 WeakPolarHBondContact O-CB 3.42Å; V28-A32 PolarHBondContact O-N 3.01Å
29	V	79	Confident	73.8	Confident	95 Å²	95	111.6 Å²	111.6	58%	0.576	56%	0.557	S	S	*	*	H	α-helix	trans	-62.1	-42.3	176.5	172.3	0	0	0	0	111	G25 A32 F33	G25-V29 VanDerWaalsContact O-CG2 3.29Å; G25-V29 WeakPolarHBondContact O-CG2 3.45Å; G25-V29 PolarHBondContact O-N 3.15Å; V29-A32 PolarHBondContact O-N 2.85Å; V29-F33 WeakPolarHBondContact O-CB 3.29Å; V29-F33 PolarHBondContact O-N 3.27Å
30	L	82.3	Confident	72.9	Confident	104 Å²	104	105.5 Å²	105.5	55%	0.545	55%	0.548	S	S	.	.	H	α-helix	trans	-63.8	-44.4	177.8	-171.6	68.8	0	0	0	111.6	F26 S27 V28 F33 V34	F26-L30 WeakPolarHBondContact O-CB 3.41Å; F26-L30 PolarHBondContact O-N 3.43Å; S27-L30 PolarHBondContact O-N 3.37Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 3.02Å; L30-F33 PolarHBondContact O-N 3.2Å; L30-V34 WeakPolarHBondContact O-CG2 3.5Å; L30-V34 PolarHBondContact O-N 2.83Å
31	T	79.4	Confident	71.7	Confident	80 Å²	80	102.9 Å²	102.9	49%	0.491	54%	0.54	S	S	.	.	H	α-helix	trans	-64.5	-41	175.3	39	0	0	0	0	112.5	S27 V28 F33 V34 V35	S27-T31 PolarHBondContact O-N 3.14Å; S27-T31 PolarHBondContact O-OG1 3.19Å; V28-T31 WeakPolarHBondContact CA-OG1 3.28Å; V28-T31 PolarHBondContact O-N 3.19Å; V28-T31 PolarHBondContact O-OG1 2.85Å; T31-F33 VanDerWaalsContact C-N 3.32Å; T31-F33 PolarHBondContact O-N 3.4Å; T31-V34 PolarHBondContact O-N 2.83Å; T31-V35 VanDerWaalsContact O-CG2 3.31Å; T31-V35 WeakPolarHBondContact O-CG2 3.36Å; T31-V35 PolarHBondContact O-N 3.45Å
32	A	78.1	Confident	70.1	Confident	45 Å²	45	104.4 Å²	104.4	37%	0.372	55%	0.55	S	S	.	*	H	α-helix	trans	-62.1	-40.7	175.7	0	0	0	0	0	111.3	V28 V29 V35 L36	V28-A32 WeakPolarHBondContact O-CB 3.42Å; V28-A32 PolarHBondContact O-N 3.01Å; V29-A32 PolarHBondContact O-N 2.85Å; A32-V35 PolarHBondContact O-N 3.37Å; A32-L36 VanDerWaalsContact O-CB 3.31Å; A32-L36 WeakPolarHBondContact O-CB 3.04Å; A32-L36 VanDerWaalsContact O-CG 3.27Å; A32-L36 WeakPolarHBondContact O-CG 3.12Å; A32-L36 PolarHBondContact O-N 2.84Å
33	F	79.3	Confident	68.2	Low	148 Å²	148	100 Å²	100	65%	0.649	55%	0.548	S	S	*	.	H	α-helix	trans	-64.6	-40.9	176.7	-142.7	-86.8	0	0	0	112.1	V29 L30 T31 W37	V29-F33 WeakPolarHBondContact O-CB 3.29Å; V29-F33 PolarHBondContact O-N 3.27Å; L30-F33 PolarHBondContact O-N 3.2Å; T31-F33 VanDerWaalsContact C-N 3.32Å; T31-F33 PolarHBondContact O-N 3.4Å; F33-W37 WeakPolarHBondContact O-CB 3.38Å; F33-W37 PolarHBondContact O-N 3.36Å
34	V	78.2	Confident	66.3	Low	72 Å²	72	104.9 Å²	104.9	44%	0.436	56%	0.562	S	S	.	*	H	α-helix	trans	-67	-39.8	176.5	172.7	0	0	0	0	111.6	L30 T31 K38	L30-V34 WeakPolarHBondContact O-CG2 3.5Å; L30-V34 PolarHBondContact O-N 2.83Å; T31-V34 PolarHBondContact O-N 2.83Å; V34-K38 PolarHBondContact O-N 3.32Å
35	V	76.4	Confident	64.3	Low	81 Å²	81	108.4 Å²	108.4	49%	0.491	57%	0.572	S	S	.	*	H	α-helix	trans	-68.6	-46	177.3	172.1	0	0	0	0	111	T31 A32 W37 K38 L39	T31-V35 VanDerWaalsContact O-CG2 3.31Å; T31-V35 WeakPolarHBondContact O-CG2 3.36Å; T31-V35 PolarHBondContact O-N 3.45Å; A32-V35 PolarHBondContact O-N 3.37Å; V35-W37 VanDerWaalsContact C-N 3.32Å; V35-W37 PolarHBondContact O-N 2.67Å; V35-K38 PolarHBondContact O-N 3.42Å; V35-L39 HydrophobicContact CG1-CD1 3.81Å; V35-L39 HydrophobicContact CG1-CG 4.37Å; V35-L39 WeakPolarHBondContact O-CG 3.44Å; V35-L39 PolarHBondContact O-N 3.15Å
36	L	71.5	Confident	62.1	Low	119 Å²	119	112 Å²	112	62%	0.623	59%	0.592	S	S	*	*	H	α-helix	trans	-63.1	-38	176.1	-73.5	169.7	0	0	0	111.7	A32 L39 G40	A32-L36 VanDerWaalsContact O-CB 3.31Å; A32-L36 WeakPolarHBondContact O-CB 3.04Å; A32-L36 VanDerWaalsContact O-CG 3.27Å; A32-L36 WeakPolarHBondContact O-CG 3.12Å; A32-L36 PolarHBondContact O-N 2.84Å; L36-L39 PolarHBondContact O-N 2.7Å; L36-G40 PolarHBondContact O-N 2.92Å
37	W	68.4	Low	59.7	Low	174 Å²	174	108 Å²	108	66%	0.659	60%	0.595	S	S	*	*	H	α-helix	trans	-65.7	-39.9	174.5	-174.5	31.5	0	0	0	112.2	F33 V35 N41	F33-W37 WeakPolarHBondContact O-CB 3.38Å; F33-W37 PolarHBondContact O-N 3.36Å; V35-W37 VanDerWaalsContact C-N 3.32Å; V35-W37 PolarHBondContact O-N 2.67Å; W37-N41 PolarHBondContact NE1-ND2 2.62Å; W37-N41 PolarHBondContact O-N 3.21Å; W37-N41 PolarHBondContact O-ND2 2.52Å
38	K	58.7	Low	57.4	Low	151 Å²	151	110.7 Å²	110.7	66%	0.657	61%	0.613	S	S	*	*	H	α-helix	trans	-65.1	-44.6	172.9	-88.2	-171.8	171.7	-174.6	0	112.4	V34 V35 N41 V42	V34-K38 PolarHBondContact O-N 3.32Å; V35-K38 PolarHBondContact O-N 3.42Å; K38-N41 PolarHBondContact O-N 3.39Å; K38-V42 WeakPolarHBondContact O-CG2 3.16Å; K38-V42 PolarHBondContact O-N 3.49Å; K38-V42 VanDerWaalsContact O-N 3.11Å
39	L	56.6	Low	54.6	Low	110 Å²	110	117 Å²	117	58%	0.576	63%	0.634	S	S	*	*	H	α-helix	trans	-67.1	-39.6	179.7	-71.8	169.9	0	0	0	112.1	V35 L36 N41 V42 S43	V35-L39 HydrophobicContact CG1-CD1 3.81Å; V35-L39 HydrophobicContact CG1-CG 4.37Å; V35-L39 WeakPolarHBondContact O-CG 3.44Å; V35-L39 PolarHBondContact O-N 3.15Å; L36-L39 PolarHBondContact O-N 2.7Å; L39-N41 VanDerWaalsContact C-N 3.31Å; L39-N41 PolarHBondContact O-N 2.65Å; L39-V42 PolarHBondContact O-N 2.87Å; L39-S43 PolarHBondContact O-N 3.02Å; L39-S43 VanDerWaalsContact O-N 3.12Å
40	G	50.6	Low	52	Low	45 Å²	45	122.5 Å²	122.5	46%	0.464	65%	0.65	S	S	.	*	H	α-helix	trans	-63	-35	175.1	0	0	0	0	0	113.1	L36	L36-G40 PolarHBondContact O-N 2.92Å
41	N	45.3	Very low	49.1	Very low	89 Å²	89	121.4 Å²	121.4	48%	0.476	67%	0.665	S	S	.	*	H	α-helix	trans	-75.5	-28.7	174.8	-75.8	-28.4	0	0	0	113	W37 K38 L39 Y45	W37-N41 PolarHBondContact NE1-ND2 2.62Å; W37-N41 PolarHBondContact O-N 3.21Å; W37-N41 PolarHBondContact O-ND2 2.52Å; K38-N41 PolarHBondContact O-N 3.39Å; L39-N41 VanDerWaalsContact C-N 3.31Å; L39-N41 PolarHBondContact O-N 2.65Å; N41-Y45 WeakPolarHBondContact O-CD2 3.31Å
42	V	40	Very low	46.5	Very low	109 Å²	109	123.3 Å²	123.3	66%	0.661	68%	0.681	S	S	*	*	H	α-helix	trans	-74.7	-32.6	177.3	173.3	0	0	0	0	111.6	K38 L39 Y44	K38-V42 WeakPolarHBondContact O-CG2 3.16Å; K38-V42 PolarHBondContact O-N 3.49Å; K38-V42 VanDerWaalsContact O-N 3.11Å; L39-V42 PolarHBondContact O-N 2.87Å; V42-Y44 VanDerWaalsContact C-N 3.3Å; V42-Y44 PolarHBondContact O-N 2.96Å
43	S	33.8	Very low	43.7	Very low	100 Å²	100	128.2 Å²	128.2	70%	0.699	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-14.4	-180	-166.1	0	0	0	0	114.7	L39	L39-S43 PolarHBondContact O-N 3.02Å; L39-S43 VanDerWaalsContact O-N 3.12Å
44	Y	34.6	Very low	41	Very low	203 Å²	203	129.7 Å²	129.7	80%	0.796	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-13	179.6	-161.2	-97.4	0	0	0	113.4	V42	V42-Y44 VanDerWaalsContact C-N 3.3Å; V42-Y44 PolarHBondContact O-N 2.96Å
45	Y	32.1	Very low	38.4	Very low	211 Å²	211	130.9 Å²	130.9	83%	0.827	72%	0.721	S	S	*	*	S	Bend	trans	-92.3	3.6	-176.7	-86.1	-79.3	0	0	0	115.2	N41	N41-Y45 WeakPolarHBondContact O-CD2 3.31Å
46	S	28	Very low	35.8	Very low	114 Å²	114	135.6 Å²	135.6	80%	0.797	74%	0.737	S	S	*	*	S	Bend	trans	-119.2	78	175.2	-168.4	0	0	0	0	110.3
47	G	25.3	Very low	33.5	Very low	72 Å²	72	138.2 Å²	138.2	74%	0.742	75%	0.747	S	S	*	*			trans	165.8	67.2	173.2	0	0	0	0	0	117.1
48	S	27.5	Very low	31.5	Very low	123 Å²	123	135.6 Å²	135.6	86%	0.86	76%	0.755	S	S	*	*			trans	-173.2	86.4	132.7	70.6	0	0	0	0	110.6
49	K	22.2	Very low	29.8	Very low	212 Å²	212	135.8 Å²	135.8	92%	0.922	76%	0.763	S	S	*	*			trans	-90.4	113.6	149.8	-84.6	-176.1	175.4	-179.4	0	106.6
50	K	24.4	Very low	28.3	Very low	210 Å²	210	141.4 Å²	141.4	91%	0.913	78%	0.778	S	S	*	*			trans	-165.6	117.4	152.4	-107.4	176	-174.2	-174.8	0	107
51	G	21	Very low	27	Very low	82 Å²	82	147.1 Å²	147.1	85%	0.845	80%	0.798	S	S	*	*			trans	-88.5	-173.4	-172.2	0	0	0	0	0	114.1
52	S	24.3	Very low	26.2	Very low	119 Å²	119	146 Å²	146	83%	0.832	81%	0.808	S	S	*	*			trans	-160.1	121.9	154.2	53.8	0	0	0	0	108.8
53	N	19.4	Very low	25.5	Very low	148 Å²	148	149.3 Å²	149.3	79%	0.791	82%	0.822	S	S	*	*			trans	-61.7	144.4	161	-66.4	-32.2	0	0	0	110.5
54	H	22.9	Very low	25.2	Very low	180 Å²	180	147.5 Å²	147.5	83%	0.833	82%	0.819	S	S	*	*				175.9	144.5	113.1	-106.4	-68.5	0	0	0	114
55	S	24.2	Very low	24.9	Very low	96 Å²	96	147.9 Å²	147.9	67%	0.671	83%	0.825	S	S	*	*			trans	67.6	101.2	144.6	60.4	0	0	0	0	121.3
56	Q	21.1	Very low	24.8	Very low	180 Å²	180	146.8 Å²	146.8	84%	0.841	82%	0.824	S	S	*	*				48.9	138.4	103.7	-76.7	-177.8	-30.3	0	0	122
57	E	23	Very low	25.2	Very low	175 Å²	175	146.1 Å²	146.1	82%	0.818	81%	0.812	S	S	*	*			trans	80.9	108.1	152.7	-75.8	177.6	169.1	0	0	120.2
58	S	27.2	Very low	25.6	Very low	118 Å²	118	151.8 Å²	151.8	83%	0.825	82%	0.819	S	S	*	*				174.9	135.5	94.1	40.3	0	0	0	0	111.6
59	D	22.9	Very low	26	Very low	156 Å²	156	150.2 Å²	150.2	83%	0.834	81%	0.807	S	S	*	*			trans	-69	132	175.5	-74.6	-47.3	0	0	0	111.8
60	Y	25.2	Very low	26.8	Very low	228 Å²	228	144.1 Å²	144.1	89%	0.894	79%	0.785	S	S	*	*			trans	-134.4	112.1	156.5	-117.8	-91	0	0	0	110
61	N	22.5	Very low	27.5	Very low	164 Å²	164	144.5 Å²	144.5	88%	0.877	78%	0.78	S	S	*	*			trans	-66	123.2	171.6	-86.6	-37	0	0	0	110.2
62	G	28.3	Very low	28.7	Very low	66 Å²	66	143.6 Å²	143.6	68%	0.68	76%	0.761	S	S	*	*			trans	-161.2	84.4	174.8	0	0	0	0	0	109.4	G64	G62-G64 PolarHBondContact O-N 2.93Å
63	N	24.8	Very low	29.8	Very low	178 Å²	178	141.5 Å²	141.5	95%	0.952	74%	0.743	S	S	*	*			trans	-61.2	120	171.9	-81.8	-27.8	0	0	0	110.1
64	G	27.7	Very low	31	Very low	62 Å²	62	143.7 Å²	143.7	64%	0.639	74%	0.741	S	S	*	*	S	Bend	trans	163.6	91.6	171.5	0	0	0	0	0	111.7	G62	G62-G64 PolarHBondContact O-N 2.93Å
65	F	28.4	Very low	32.4	Very low	212 Å²	212	140.3 Å²	140.3	93%	0.93	73%	0.729	S	S	*	*			trans	51.6	61	167.8	-70.5	-88.1	0	0	0	115.8	N67	F65-N67 PolarHBondContact O-N 2.88Å; F65-N67 VanDerWaalsContact O-N 3.07Å
66	K	30.3	Very low	33.8	Very low	187 Å²	187	140.2 Å²	140.2	81%	0.813	72%	0.716	S	S	*	*			trans	-70.7	98.3	160.1	-94.2	-178.8	175.8	174.2	0	109.8
67	N	35.7	Very low	35.2	Very low	100 Å²	100	139.5 Å²	139.5	54%	0.535	71%	0.713	S	S	.	*			trans	29.2	95.3	140	-61.3	-22.4	0	0	0	116.9	F65 C69 D70	F65-N67 PolarHBondContact O-N 2.88Å; F65-N67 VanDerWaalsContact O-N 3.07Å; N67-C69 PolarHBondContact O-N 3.17Å; N67-C69 VanDerWaalsContact O-N 3.08Å; N67-D70 HydrophobicContact CB-CB 4.36Å; N67-D70 PolarHBondContact O-N 3.28Å; N67-D70 VanDerWaalsContact O-N 3.08Å
68	E	35.4	Very low	36.8	Very low	191 Å²	191	134.7 Å²	134.7	89%	0.893	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-17.5	157.1	-87.8	178.1	148.6	0	0	112.7
69	C	35.2	Very low	38.2	Very low	91 Å²	91	131.6 Å²	131.6	62%	0.615	68%	0.684	S	S	*	*	H	α-helix	trans	-66.8	-31	173.4	-69	0	0	0	0	113.7	N67 R71 S72	N67-C69 PolarHBondContact O-N 3.17Å; N67-C69 VanDerWaalsContact O-N 3.08Å; C69-R71 VanDerWaalsContact C-N 3.32Å; C69-R71 PolarHBondContact O-N 3.48Å; C69-S72 PolarHBondContact O-N 3.36Å; C69-S72 PolarHBondContact O-OG 2.67Å
70	D	39.9	Very low	40	Very low	84 Å²	84	126.9 Å²	126.9	45%	0.449	66%	0.664	S	S	.	*	H	α-helix	trans	-74.8	-19.7	-176.8	-82.9	-28.4	0	0	0	113.5	N67 T73	N67-D70 HydrophobicContact CB-CB 4.36Å; N67-D70 PolarHBondContact O-N 3.28Å; N67-D70 VanDerWaalsContact O-N 3.08Å; D70-T73 PolarHBondContact O-OG1 2.92Å
71	R	37.8	Very low	41.7	Very low	217 Å²	217	121.1 Å²	121.1	82%	0.819	66%	0.656	S	S	*	*	H	α-helix	trans	-74	-30.1	171.6	-90.8	-175	178	175	-0.2	112.2	C69	C69-R71 VanDerWaalsContact C-N 3.32Å; C69-R71 PolarHBondContact O-N 3.48Å
72	S	47.1	Very low	43.8	Very low	63 Å²	63	120.4 Å²	120.4	44%	0.441	65%	0.653	S	S	.	*	H	α-helix	trans	-77.8	-30	-178.1	72.4	0	0	0	0	113.8	C69 D75 F76	C69-S72 PolarHBondContact O-N 3.36Å; C69-S72 PolarHBondContact O-OG 2.67Å; S72-D75 PolarHBondContact O-N 3.15Å; S72-F76 VanDerWaalsContact O-CD2 3.31Å; S72-F76 WeakPolarHBondContact O-CD2 3.13Å
73	T	45.9	Very low	46	Very low	75 Å²	75	119.2 Å²	119.2	46%	0.46	63%	0.634	S	S	.	*	H	α-helix	trans	-71.2	-33.5	-178.7	40.1	0	0	0	0	112.7	D70 D75 F76	D70-T73 PolarHBondContact O-OG1 2.92Å; T73-D75 PolarHBondContact O-N 3.39Å; T73-F76 PolarHBondContact O-N 3.49Å
74	R	45.8	Very low	48.7	Very low	195 Å²	195	114.5 Å²	114.5	74%	0.736	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-23.5	178	-69.1	-173.8	-174.8	-171.3	0.2	113.9	F76	R74-F76 VanDerWaalsContact C-N 3.26Å; R74-F76 PolarHBondContact O-N 2.84Å
75	D	52.8	Low	51.5	Low	109 Å²	109	120.4 Å²	120.4	58%	0.583	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-16.5	179.6	-75.9	-26.2	0	0	0	113.3	S72 T73 K103	S72-D75 PolarHBondContact O-N 3.15Å; T73-D75 PolarHBondContact O-N 3.39Å; D75-K103 PolarHBondContact O-NZ 3.4Å
76	F	53.5	Low	54.2	Low	94 Å²	94	114.2 Å²	114.2	41%	0.412	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.3	-10.7	-176.3	-63	-84.3	0	0	0	114.4	S72 T73 R74 G78 L79 L102	S72-F76 VanDerWaalsContact O-CD2 3.31Å; S72-F76 WeakPolarHBondContact O-CD2 3.13Å; T73-F76 PolarHBondContact O-N 3.49Å; R74-F76 VanDerWaalsContact C-N 3.26Å; R74-F76 PolarHBondContact O-N 2.84Å; F76-G78 PolarHBondContact O-N 3.01Å; F76-L79 HydrophobicContact CB-CD1 4.24Å; F76-L79 HydrophobicContact CD1-CD1 3.68Å; F76-L79 HydrophobicContact CG-CD1 4.44Å; F76-L102 HydrophobicContact CD1-CD2 3.95Å; F76-L102 HydrophobicContact CE1-CD2 3.56Å
77	E	50.1	Low	57	Low	165 Å²	165	107.6 Å²	107.6	77%	0.771	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	86.2	173.2	-72.7	-173.9	166.9	0	0	110.5
78	G	55.8	Low	59.5	Low	73 Å²	73	112.9 Å²	112.9	75%	0.753	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	140.1	12.6	175.1	0	0	0	0	0	116.2	F76 S80	F76-G78 PolarHBondContact O-N 3.01Å; G78-S80 PolarHBondContact O-N 2.79Å
79	L	56.8	Low	62	Low	53 Å²	53	104.7 Å²	104.7	28%	0.277	54%	0.543	S	S	.	.			trans	-65	106.1	172.5	-76.4	155.5	0	0	0	110.8	F76 L102 K103	F76-L79 HydrophobicContact CB-CD1 4.24Å; F76-L79 HydrophobicContact CD1-CD1 3.68Å; F76-L79 HydrophobicContact CG-CD1 4.44Å; L79-L102 HydrophobicContact CD1-CD1 3.62Å; L79-L102 HydrophobicContact CD1-CD2 4.04Å; L79-L102 HydrophobicContact CD1-CG 4.19Å; L79-L102 HydrophobicContact CD2-CD1 3.52Å; L79-L102 HydrophobicContact CD2-CG 4.11Å; L79-L102 HydrophobicContact CG-CD1 4.11Å; L79-K103 HydrophobicContact CD2-CD 4.33Å; L79-K103 HydrophobicContact CD2-CG 3.83Å
80	S	60.9	Low	64.5	Low	58 Å²	58	106.2 Å²	106.2	41%	0.406	54%	0.544	S	S	.	.			trans	-64.8	155.8	169.1	77.3	0	0	0	0	110.2	G78 N82 S83	G78-S80 PolarHBondContact O-N 2.79Å; S80-N82 PolarHBondContact O-N 2.86Å; S80-N82 PolarHBondContact OG-N 2.89Å; S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 3.37Å; S80-S83 PolarHBondContact O-OG 3.04Å; S80-S83 PolarHBondContact OG-OG 3.27Å; S80-S83 VanDerWaalsContact OG-OG 3.06Å
81	S	61.9	Low	66.5	Low	106 Å²	106	104.2 Å²	104.2	74%	0.741	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-56.2	-21.4	173.1	58.4	0	0	0	0	113.1	S83	S81-S83 VanDerWaalsContact C-N 3.29Å; S81-S83 PolarHBondContact O-N 3.17Å
82	N	66.3	Low	68.7	Low	150 Å²	150	99.4 Å²	99.4	80%	0.802	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-77.7	-11.7	177	-65.8	-10.8	0	0	0	113.5	S80 I84	S80-N82 PolarHBondContact O-N 2.86Å; S80-N82 PolarHBondContact OG-N 2.89Å; N82-I84 VanDerWaalsContact C-N 3.33Å
83	S	74.6	Confident	70.7	Confident	41 Å²	41	105.4 Å²	105.4	29%	0.287	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-86.3	-4.4	-177.9	-52.4	0	0	0	0	113.5	S80 S81 K103	S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 3.37Å; S80-S83 PolarHBondContact O-OG 3.04Å; S80-S83 PolarHBondContact OG-OG 3.27Å; S80-S83 VanDerWaalsContact OG-OG 3.06Å; S81-S83 VanDerWaalsContact C-N 3.29Å; S81-S83 PolarHBondContact O-N 3.17Å; S83-K103 PolarHBondContact O-N 3.4Å
84	I	81.8	Confident	72.4	Confident	78 Å²	78	107.2 Å²	107.2	40%	0.4	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	114.5	-177.7	-57.6	177.6	0	0	0	109.1	N82 Y100 L101 L102	N82-I84 VanDerWaalsContact C-N 3.33Å; I84-Y100 HydrophobicContact CG2-CD1 3.84Å; I84-Y100 HydrophobicContact CG2-CG 4.11Å; I84-L101 WeakPolarHBondContact CA-O 3.31Å; I84-L102 HydrophobicContact CD1-CD1 3.94Å; I84-L102 HydrophobicContact CG1-CD1 3.49Å; I84-L102 VanDerWaalsContact CG1-CD1 3.49Å
85	R	84.8	Confident	74.3	Confident	186 Å²	186	103.1 Å²	103.1	70%	0.702	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.2	176.5	-179.2	-179.1	172.9	-177.1	1.4	110.9	Y100 L101	R85-Y100 CarbonylContact O-C 3.55Å; R85-Y100 VanDerWaalsContact O-CA 3.32Å; R85-Y100 WeakPolarHBondContact O-CA 3.21Å; R85-L101 PolarHBondContact N-O 2.78Å; R85-L101 PolarHBondContact O-N 3.43Å
86	S	85.8	Confident	75.7	Confident	83 Å²	83	99.8 Å²	99.8	58%	0.58	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	133	169.8	-178.7	0	0	0	0	111.2
87	I	88.9	Confident	76.9	Confident	48 Å²	48	102.5 Å²	102.5	25%	0.246	54%	0.543	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	159.1	177.5	61.2	170	0	0	0	110.8	C99 L101 V107	I87-C99 HydrophobicContact CD1-CB 4.28Å; I87-C99 HydrophobicContact CG1-CB 3.75Å; I87-C99 PolarHBondContact N-O 2.97Å; I87-L101 HydrophobicContact CD1-CB 4.42Å; I87-L101 HydrophobicContact CG2-CB 3.92Å; I87-V107 HydrophobicContact CD1-CG1 4.04Å; I87-V107 HydrophobicContact CD1-CG2 4.11Å
88	R	87.7	Confident	78.3	Confident	211 Å²	211	95.5 Å²	95.5	80%	0.796	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.3	172.1	-67.1	-174.9	-64.8	174	0.3	109.4	L95	R88-L95 HydrophobicContact CB-CD1 3.95Å; R88-L95 HydrophobicContact CG-CD1 4.2Å
89	C	87.5	Confident	79.9	Confident	18 Å²	18	92 Å²	92	12%	0.122	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.7	170.9	-99.5	0	0	0	0	110.4	T96 C99	C89-T96 PolarHBondContact N-O 2.85Å; C89-T96 PolarHBondContact O-N 3.41Å; C89-C99 HydrophobicContact CB-CB 3.77Å; C89-C99 WeakPolarHBondContact CB-SG 2.9Å; C89-C99 WeakPolarHBondContact SG-CB 2.91Å; C89-C99 CovalentContact SG-SG 2Å; C89-C99 PolarHBondContact SG-SG 2.97Å
90	I	88.1	Confident	81.5	Confident	124 Å²	124	94.5 Å²	94.5	64%	0.636	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	111.3	174	-56.4	173.4	0	0	0	106.6	Q94	I90-Q94 WeakPolarHBondContact CA-O 3.47Å
91	V	82.3	Confident	82.7	Confident	42 Å²	42	94 Å²	94	26%	0.255	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.4	177.3	-178.4	0	0	0	0	107.6	E93 Q94 L113 Y117	V91-E93 VanDerWaalsContact C-N 3.32Å; V91-E93 PolarHBondContact O-N 3.22Å; V91-Q94 PolarHBondContact N-O 3.13Å; V91-Q94 WeakPolarHBondContact O-CB 3.31Å; V91-Q94 PolarHBondContact O-N 2.75Å; V91-L113 HydrophobicContact CG2-CD2 4.08Å; V91-Y117 HydrophobicContact CG1-CD2 4.28Å; V91-Y117 HydrophobicContact CG1-CE2 4Å
92	N	85	Confident	83.8	Confident	115 Å²	115	89.3 Å²	89.3	62%	0.615	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	55.1	-175.8	-56.1	-28.9	0	0	0	112.1	Q94 Y117	N92-Q94 PolarHBondContact O-N 3.25Å; N92-Y117 WeakPolarHBondContact ND2-CE2 3.32Å; N92-Y117 PolarHBondContact ND2-OH 3.26Å
93	E	87.4	Confident	84.3	Confident	190 Å²	190	86.8 Å²	86.8	89%	0.888	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	1.2	179.9	-52	173.6	179.8	0	0	115.3	V91	V91-E93 VanDerWaalsContact C-N 3.32Å; V91-E93 PolarHBondContact O-N 3.22Å
94	Q	83.5	Confident	84	Confident	113 Å²	113	90.3 Å²	90.3	53%	0.528	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.6	175.8	-64.5	-174.2	-6.5	0	0	111.6	I90 V91 N92 T96	I90-Q94 WeakPolarHBondContact CA-O 3.47Å; V91-Q94 PolarHBondContact N-O 3.13Å; V91-Q94 WeakPolarHBondContact O-CB 3.31Å; V91-Q94 PolarHBondContact O-N 2.75Å; N92-Q94 PolarHBondContact O-N 3.25Å; Q94-T96 PolarHBondContact O-N 3.48Å; Q94-T96 PolarHBondContact O-OG1 3.25Å
95	L	85.3	Confident	83.9	Confident	109 Å²	109	95.3 Å²	95.3	57%	0.571	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	118.7	172.4	-179.5	66.8	0	0	0	109.8	R88	R88-L95 HydrophobicContact CB-CD1 3.95Å; R88-L95 HydrophobicContact CG-CD1 4.2Å
96	T	80.6	Confident	84.1	Confident	38 Å²	38	90.7 Å²	90.7	23%	0.233	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.3	174.9	-46.7	0	0	0	0	109.9	C89 Q94 L113	C89-T96 PolarHBondContact N-O 2.85Å; C89-T96 PolarHBondContact O-N 3.41Å; Q94-T96 PolarHBondContact O-N 3.48Å; Q94-T96 PolarHBondContact O-OG1 3.25Å; T96-L113 HydrophobicContact CG2-CD1 3.37Å; T96-L113 HydrophobicContact CG2-CD2 3.91Å; T96-L113 HydrophobicContact CG2-CG 4.25Å
97	L	79.4	Confident	84.2	Confident	151 Å²	151	90.3 Å²	90.3	79%	0.791	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	151.3	179.8	-65	172.7	0	0	0	111.1
98	G	80.6	Confident	84.2	Confident	19 Å²	19	91 Å²	91	20%	0.196	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	106.9	8.2	165.5	0	0	0	0	0	116.4	Y100 P110	G98-Y100 WeakPolarHBondContact O-CD2 3.31Å; G98-Y100 WeakPolarHBondContact O-CE2 3.39Å; G98-P110 VanDerWaalsContact C-CG 3.5Å; G98-P110 WeakPolarHBondContact O-CD 3.42Å; G98-P110 WeakPolarHBondContact O-CG 3.3Å
99	C	89	Confident	84.2	Confident	0 Å²	0	84.9 Å²	84.9	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	147.4	171	-70.9	0	0	0	0	111.9	I87 C89 L108	I87-C99 HydrophobicContact CD1-CB 4.28Å; I87-C99 HydrophobicContact CG1-CB 3.75Å; I87-C99 PolarHBondContact N-O 2.97Å; C89-C99 HydrophobicContact CB-CB 3.77Å; C89-C99 WeakPolarHBondContact CB-SG 2.9Å; C89-C99 WeakPolarHBondContact SG-CB 2.91Å; C89-C99 CovalentContact SG-SG 2Å; C89-C99 PolarHBondContact SG-SG 2.97Å; C99-L108 WeakPolarHBondContact CA-O 2.96Å
100	Y	89.3	Confident	84.1	Confident	105 Å²	105	85.9 Å²	85.9	41%	0.412	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.2	178.1	-53.9	-91.8	0	0	0	110.1	I84 R85 G98 V107 L108	I84-Y100 HydrophobicContact CG2-CD1 3.84Å; I84-Y100 HydrophobicContact CG2-CG 4.11Å; R85-Y100 CarbonylContact O-C 3.55Å; R85-Y100 VanDerWaalsContact O-CA 3.32Å; R85-Y100 WeakPolarHBondContact O-CA 3.21Å; G98-Y100 WeakPolarHBondContact O-CD2 3.31Å; G98-Y100 WeakPolarHBondContact O-CE2 3.39Å; Y100-V107 CarbonylContact O-C 3.12Å; Y100-V107 WeakPolarHBondContact O-CA 3.48Å; Y100-L108 PolarHBondContact N-O 3.11Å; Y100-L108 PolarHBondContact O-N 2.88Å
101	L	87.3	Confident	84.2	Confident	46 Å²	46	82.3 Å²	82.3	24%	0.241	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	119.4	170.1	-172.3	71.7	0	0	0	107.5	I84 R85 I87 K103 E106 V107	I84-L101 WeakPolarHBondContact CA-O 3.31Å; R85-L101 PolarHBondContact N-O 2.78Å; R85-L101 PolarHBondContact O-N 3.43Å; I87-L101 HydrophobicContact CD1-CB 4.42Å; I87-L101 HydrophobicContact CG2-CB 3.92Å; L101-K103 WeakPolarHBondContact CG-O 3.3Å; L101-E106 CarbonylContact C-O 3.55Å; L101-E106 WeakPolarHBondContact CA-O 3.33Å; L101-V107 HydrophobicContact CD1-CG2 4.18Å
102	L	84.3	Confident	84.4	Confident	8 Å²	8	85.3 Å²	85.3	4%	0.042	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	110.8	-178.9	-179	73.3	0	0	0	109.9	F76 L79 I84 E106 L108	F76-L102 HydrophobicContact CD1-CD2 3.95Å; F76-L102 HydrophobicContact CE1-CD2 3.56Å; L79-L102 HydrophobicContact CD1-CD1 3.62Å; L79-L102 HydrophobicContact CD1-CD2 4.04Å; L79-L102 HydrophobicContact CD1-CG 4.19Å; L79-L102 HydrophobicContact CD2-CD1 3.52Å; L79-L102 HydrophobicContact CD2-CG 4.11Å; L79-L102 HydrophobicContact CG-CD1 4.11Å; I84-L102 HydrophobicContact CD1-CD1 3.94Å; I84-L102 HydrophobicContact CG1-CD1 3.49Å; I84-L102 VanDerWaalsContact CG1-CD1 3.49Å; L102-E106 HydrophobicContact CB-CB 4.43Å; L102-E106 PolarHBondContact N-O 3.38Å; L102-E106 WeakPolarHBondContact O-CB 3.27Å; L102-E106 PolarHBondContact O-N 2.85Å; L102-L108 HydrophobicContact CB-CD1 3.77Å; L102-L108 HydrophobicContact CB-CD2 4.37Å; L102-L108 HydrophobicContact CB-CG 3.79Å; L102-L108 HydrophobicContact CD1-CD1 4.3Å; L102-L108 HydrophobicContact CD2-CD1 4.06Å; L102-L108 HydrophobicContact CD2-CD2 4.17Å; L102-L108 HydrophobicContact CD2-CG 4.34Å; L102-L108 HydrophobicContact CG-CD1 4.27Å
103	K	76.5	Confident	84.3	Confident	97 Å²	97	81.7 Å²	81.7	42%	0.422	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	55.6	158.6	-161.7	-53.6	177.3	-179.7	174.7	0	108.7	D75 L79 S83 L101 Q105	D75-K103 PolarHBondContact O-NZ 3.4Å; L79-K103 HydrophobicContact CD2-CD 4.33Å; L79-K103 HydrophobicContact CD2-CG 3.83Å; S83-K103 PolarHBondContact O-N 3.4Å; L101-K103 WeakPolarHBondContact CG-O 3.3Å; K103-Q105 PolarHBondContact O-N 3.02Å
104	P	69.2	Low	84.3	Confident	116 Å²	116	75 Å²	75	75%	0.753	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-66.8	10.9	-164.4	22.3	-31.5	0	0	0	117
105	Q	79.5	Confident	84.5	Confident	182 Å²	182	73.9 Å²	73.9	85%	0.85	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-138.7	-13.3	-173.7	-65.7	-176.6	-13.5	0	0	116.1	K103	K103-Q105 PolarHBondContact O-N 3.02Å
106	E	87.8	Confident	84.3	Confident	90 Å²	90	73.2 Å²	73.2	42%	0.421	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.7	-178.1	-166.4	177.7	-177.9	0	0	111.4	L101 L102	L101-E106 CarbonylContact C-O 3.55Å; L101-E106 WeakPolarHBondContact CA-O 3.33Å; L102-E106 HydrophobicContact CB-CB 4.43Å; L102-E106 PolarHBondContact N-O 3.38Å; L102-E106 WeakPolarHBondContact O-CB 3.27Å; L102-E106 PolarHBondContact O-N 2.85Å
107	V	89.1	Confident	84.3	Confident	75 Å²	75	77.2 Å²	77.2	46%	0.455	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	114.7	177.8	177.4	0	0	0	0	109.6	I87 Y100 L101 I109	I87-V107 HydrophobicContact CD1-CG1 4.04Å; I87-V107 HydrophobicContact CD1-CG2 4.11Å; Y100-V107 CarbonylContact O-C 3.12Å; Y100-V107 WeakPolarHBondContact O-CA 3.48Å; L101-V107 HydrophobicContact CD1-CG2 4.18Å; V107-I109 HydrophobicContact CG1-CG1 4.08Å
108	L	88.5	Confident	84.6	Confident	62 Å²	62	75.9 Å²	75.9	33%	0.325	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	124.5	169.4	-58.3	-179.6	0	0	0	110.1	C99 Y100 L102	C99-L108 WeakPolarHBondContact CA-O 2.96Å; Y100-L108 PolarHBondContact N-O 3.11Å; Y100-L108 PolarHBondContact O-N 2.88Å; L102-L108 HydrophobicContact CB-CD1 3.77Å; L102-L108 HydrophobicContact CB-CD2 4.37Å; L102-L108 HydrophobicContact CB-CG 3.79Å; L102-L108 HydrophobicContact CD1-CD1 4.3Å; L102-L108 HydrophobicContact CD2-CD1 4.06Å; L102-L108 HydrophobicContact CD2-CD2 4.17Å; L102-L108 HydrophobicContact CD2-CG 4.34Å; L102-L108 HydrophobicContact CG-CD1 4.27Å
109	I	87.6	Confident	84.8	Confident	83 Å²	83	82 Å²	82	43%	0.426	39%	0.393	S	S	.	.			trans	-107.1	133.8	176.8	-58.2	178.1	0	0	0	108.8	V107 F111 L113 I114	V107-I109 HydrophobicContact CG1-CG1 4.08Å; I109-F111 PolarHBondContact O-N 3.18Å; I109-L113 HydrophobicContact CG2-CB 4.01Å; I109-L113 HydrophobicContact CG2-CD2 3.7Å; I109-L113 HydrophobicContact CG2-CG 4.2Å; I109-I114 HydrophobicContact CB-CG2 4.44Å; I109-I114 HydrophobicContact CG2-CG2 3.77Å
110	P	86.7	Confident	84.9	Confident	39 Å²	39	83 Å²	83	25%	0.253	40%	0.4	S	S	.	.			trans	-56	134	174.7	-26.9	35.7	0	0	0	111.4	G98 E112 L113 I114	G98-P110 VanDerWaalsContact C-CG 3.5Å; G98-P110 WeakPolarHBondContact O-CD 3.42Å; G98-P110 WeakPolarHBondContact O-CG 3.3Å; P110-E112 PolarHBondContact O-N 3.37Å; P110-E112 VanDerWaalsContact O-N 3.15Å; P110-L113 HydrophobicContact CB-CB 4.43Å; P110-L113 WeakPolarHBondContact O-CB 2.78Å; P110-L113 PolarHBondContact O-N 3.44Å; P110-I114 PolarHBondContact O-N 3.28Å
111	F	89.9	Confident	85	Confident	48 Å²	48	81 Å²	81	21%	0.211	39%	0.392	C	S	.	.	H	α-helix	trans	-54.4	-37.3	175.1	-178.9	-112.7	0	0	0	111.7	I109 L113 I114 R115 V120 F131 L133	I109-F111 PolarHBondContact O-N 3.18Å; F111-L113 PolarHBondContact O-N 2.77Å; F111-I114 HydrophobicContact CD2-CD1 3.7Å; F111-I114 HydrophobicContact CD2-CG1 3.83Å; F111-I114 HydrophobicContact CE2-CD1 4.23Å; F111-I114 HydrophobicContact CE2-CG1 4.37Å; F111-I114 WeakPolarHBondContact O-CG1 3.44Å; F111-I114 PolarHBondContact O-N 2.99Å; F111-R115 HydrophobicContact CD1-CB 4.29Å; F111-R115 HydrophobicContact CE1-CB 3.95Å; F111-R115 HydrophobicContact CE1-CG 3.98Å; F111-R115 HydrophobicContact CE2-CB 4.37Å; F111-R115 HydrophobicContact CZ-CB 3.96Å; F111-R115 HydrophobicContact CZ-CG 4.09Å; F111-R115 WeakPolarHBondContact O-CA 3.28Å; F111-R115 WeakPolarHBondContact O-CB 3.49Å; F111-R115 PolarHBondContact O-N 3.48Å; F111-V120 HydrophobicContact CE2-CG2 3.86Å; F111-V120 HydrophobicContact CZ-CG2 4.3Å; F111-F131 HydrophobicContact CB-CZ 4.33Å; F111-F131 HydrophobicContact CD1-CE2 4.05Å; F111-F131 AromaticContact CD1-CZ 3.66Å; F111-F131 HydrophobicContact CD1-CZ 3.66Å; F111-F131 AromaticContact CD2-CE1 3.94Å; F111-F131 HydrophobicContact CD2-CE1 3.94Å; F111-F131 AromaticContact CD2-CZ 3.52Å; F111-F131 HydrophobicContact CD2-CZ 3.52Å; F111-F131 HydrophobicContact CE1-CE2 4.28Å; F111-F131 AromaticContact CE1-CZ 3.78Å; F111-F131 HydrophobicContact CE1-CZ 3.78Å; F111-F131 HydrophobicContact CE2-CE1 4.18Å; F111-F131 AromaticContact CE2-CZ 3.7Å; F111-F131 HydrophobicContact CE2-CZ 3.7Å; F111-F131 HydrophobicContact CG-CE1 4.29Å; F111-F131 HydrophobicContact CG-CE2 4.23Å; F111-F131 AromaticContact CG-CZ 3.53Å; F111-F131 HydrophobicContact CG-CZ 3.53Å; F111-F131 AromaticContact CZ-CZ 3.83Å; F111-F131 HydrophobicContact CZ-CZ 3.83Å; F111-L133 HydrophobicContact CD2-CD1 4.32Å; F111-L133 HydrophobicContact CE2-CD1 3.49Å; F111-L133 VanDerWaalsContact CE2-CD1 3.49Å; F111-L133 HydrophobicContact CZ-CD1 4.21Å
112	E	85	Confident	85.1	Confident	105 Å²	105	80.2 Å²	80.2	49%	0.491	40%	0.396	S	S	.	.	H	α-helix	trans	-61.8	-29	178.9	-167.2	56.3	-147.4	0	0	113.5	P110 R115 N116	P110-E112 PolarHBondContact O-N 3.37Å; P110-E112 VanDerWaalsContact O-N 3.15Å; E112-R115 IonicContact OE1-NH1 3.98Å; E112-N116 PolarHBondContact O-ND2 3.01Å; E112-N116 PolarHBondContact OE1-ND2 3.01Å
113	L	84	Confident	85.4	Confident	40 Å²	40	83 Å²	83	21%	0.209	42%	0.415	C	S	.	.	H	α-helix	trans	-70.2	-50.4	175.6	-174.5	57.3	0	0	0	110.8	V91 T96 I109 P110 F111 Y117	V91-L113 HydrophobicContact CG2-CD2 4.08Å; T96-L113 HydrophobicContact CG2-CD1 3.37Å; T96-L113 HydrophobicContact CG2-CD2 3.91Å; T96-L113 HydrophobicContact CG2-CG 4.25Å; I109-L113 HydrophobicContact CG2-CB 4.01Å; I109-L113 HydrophobicContact CG2-CD2 3.7Å; I109-L113 HydrophobicContact CG2-CG 4.2Å; P110-L113 HydrophobicContact CB-CB 4.43Å; P110-L113 WeakPolarHBondContact O-CB 2.78Å; P110-L113 PolarHBondContact O-N 3.44Å; F111-L113 PolarHBondContact O-N 2.77Å; L113-Y117 WeakPolarHBondContact O-CB 3.34Å; L113-Y117 PolarHBondContact O-N 2.86Å
114	I	87.1	Confident	86.1	Confident	48 Å²	48	83.4 Å²	83.4	25%	0.246	42%	0.422	C	S	.	.	H	α-helix	trans	-73.4	-31.8	-178.6	56	163.2	0	0	0	112.2	I109 P110 F111 N116 Y117 F118	I109-I114 HydrophobicContact CB-CG2 4.44Å; I109-I114 HydrophobicContact CG2-CG2 3.77Å; P110-I114 PolarHBondContact O-N 3.28Å; F111-I114 HydrophobicContact CD2-CD1 3.7Å; F111-I114 HydrophobicContact CD2-CG1 3.83Å; F111-I114 HydrophobicContact CE2-CD1 4.23Å; F111-I114 HydrophobicContact CE2-CG1 4.37Å; F111-I114 WeakPolarHBondContact O-CG1 3.44Å; F111-I114 PolarHBondContact O-N 2.99Å; I114-N116 PolarHBondContact O-N 3.3Å; I114-Y117 PolarHBondContact O-N 3.44Å; I114-F118 HydrophobicContact CB-CD2 3.99Å; I114-F118 HydrophobicContact CG2-CD2 4.21Å; I114-F118 HydrophobicContact CG2-CE2 4.22Å; I114-F118 WeakPolarHBondContact O-CB 3.43Å; I114-F118 PolarHBondContact O-N 3.14Å
115	R	87.5	Confident	87	Confident	90 Å²	90	80.6 Å²	80.6	34%	0.34	40%	0.4	S	S	.	.	H	α-helix	trans	-55	-53.8	178.2	-179.5	-178	-177.7	-89.5	-9.1	111.2	F111 E112 K119 V120	F111-R115 HydrophobicContact CD1-CB 4.29Å; F111-R115 HydrophobicContact CE1-CB 3.95Å; F111-R115 HydrophobicContact CE1-CG 3.98Å; F111-R115 HydrophobicContact CE2-CB 4.37Å; F111-R115 HydrophobicContact CZ-CB 3.96Å; F111-R115 HydrophobicContact CZ-CG 4.09Å; F111-R115 WeakPolarHBondContact O-CA 3.28Å; F111-R115 WeakPolarHBondContact O-CB 3.49Å; F111-R115 PolarHBondContact O-N 3.48Å; E112-R115 IonicContact OE1-NH1 3.98Å; R115-K119 WeakPolarHBondContact O-CA 3.33Å; R115-K119 PolarHBondContact O-N 2.77Å; R115-V120 WeakPolarHBondContact CG-O 3Å; R115-V120 PolarHBondContact O-N 2.76Å
116	N	80.7	Confident	87.4	Confident	96 Å²	96	78.6 Å²	78.6	51%	0.513	40%	0.395	S	S	.	.	H	α-helix	trans	-74.5	-37.1	-177.7	-66.2	-47	0	0	0	111.8	E112 I114	E112-N116 PolarHBondContact O-ND2 3.01Å; E112-N116 PolarHBondContact OE1-ND2 3.01Å; I114-N116 PolarHBondContact O-N 3.3Å
117	Y	82.3	Confident	87.4	Confident	122 Å²	122	79.5 Å²	79.5	48%	0.478	41%	0.411	S	S	.	.	H	α-helix	trans	-70.1	-51.2	-177.6	-170.3	-93.2	0	0	0	112.6	V91 N92 L113 I114	V91-Y117 HydrophobicContact CG1-CD2 4.28Å; V91-Y117 HydrophobicContact CG1-CE2 4Å; N92-Y117 WeakPolarHBondContact ND2-CE2 3.32Å; N92-Y117 PolarHBondContact ND2-OH 3.26Å; L113-Y117 WeakPolarHBondContact O-CB 3.34Å; L113-Y117 PolarHBondContact O-N 2.86Å; I114-Y117 PolarHBondContact O-N 3.44Å
118	F	85	Confident	87.5	Confident	123 Å²	123	78.4 Å²	78.4	54%	0.539	41%	0.407	S	S	.	.	H	α-helix	trans	-91.6	-4.9	-178.3	-67	-71.9	0	0	0	114	I114 V120	I114-F118 HydrophobicContact CB-CD2 3.99Å; I114-F118 HydrophobicContact CG2-CD2 4.21Å; I114-F118 HydrophobicContact CG2-CE2 4.22Å; I114-F118 WeakPolarHBondContact O-CB 3.43Å; I114-F118 PolarHBondContact O-N 3.14Å; F118-V120 VanDerWaalsContact C-N 3.26Å; F118-V120 HydrophobicContact CB-CG1 3.99Å; F118-V120 HydrophobicContact CB-CG2 4.42Å; F118-V120 PolarHBondContact O-N 3.17Å
119	K	84.8	Confident	87.6	Confident	146 Å²	146	80.6 Å²	80.6	64%	0.635	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	42	-174.5	-57.8	179.4	179.7	174.8	0	112.4	R115 Y121	R115-K119 WeakPolarHBondContact O-CA 3.33Å; R115-K119 PolarHBondContact O-N 2.77Å; K119-Y121 VanDerWaalsContact O-CE2 3.29Å; K119-Y121 WeakPolarHBondContact O-CE2 3.41Å
120	V	89.9	Confident	87.8	Confident	23 Å²	23	79.2 Å²	79.2	14%	0.139	42%	0.423	C	S	.	.			trans	-93.3	164	172.6	-65	0	0	0	0	110.3	F111 R115 F118 L133	F111-V120 HydrophobicContact CE2-CG2 3.86Å; F111-V120 HydrophobicContact CZ-CG2 4.3Å; R115-V120 WeakPolarHBondContact CG-O 3Å; R115-V120 PolarHBondContact O-N 2.76Å; F118-V120 VanDerWaalsContact C-N 3.26Å; F118-V120 HydrophobicContact CB-CG1 3.99Å; F118-V120 HydrophobicContact CB-CG2 4.42Å; F118-V120 PolarHBondContact O-N 3.17Å; V120-L133 HydrophobicContact CB-CD1 4.29Å; V120-L133 HydrophobicContact CG2-CD1 4.25Å
121	Y	91.9	Very high	88.1	Confident	61 Å²	61	81.8 Å²	81.8	24%	0.239	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.3	-173.4	-58.5	-92.5	0	0	0	110.5	K119 N134 D137 W657	K119-Y121 VanDerWaalsContact O-CE2 3.29Å; K119-Y121 WeakPolarHBondContact O-CE2 3.41Å; Y121-N134 PolarHBondContact N-O 3.42Å; Y121-N134 PolarHBondContact O-N 3.18Å; Y121-N134 VanDerWaalsContact O-O 3.13Å; Y121-D137 HydrophobicContact CD1-CB 3.6Å; Y121-D137 HydrophobicContact CD2-CB 4.14Å; Y121-D137 HydrophobicContact CE1-CB 3.47Å; Y121-D137 VanDerWaalsContact CE1-CB 3.47Å; Y121-D137 WeakPolarHBondContact CE1-OD2 3.35Å; Y121-D137 HydrophobicContact CE2-CB 4.08Å; Y121-D137 HydrophobicContact CG-CB 3.9Å; Y121-D137 PolarHBondContact OH-OD2 2.73Å; Y121-W657 AromaticContact CE2-CD1 3.62Å; Y121-W657 AromaticContact CE2-NE1 3.51Å; Y121-W657 AromaticContact CZ-CD1 3.94Å
122	G	89.8	Confident	88.2	Confident	31 Å²	31	85 Å²	85	32%	0.32	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	160.3	175.6	0	0	0	0	0	114	Y132	G122-Y132 CarbonylContact C-O 3.54Å; G122-Y132 WeakPolarHBondContact CA-O 3.39Å
123	S	90.7	Very high	88.5	Confident	65 Å²	65	84.9 Å²	84.9	46%	0.455	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	133.6	-179.5	54	0	0	0	0	110	Y132	S123-Y132 PolarHBondContact N-O 2.86Å; S123-Y132 PolarHBondContact O-N 3.01Å
124	L	90.2	Very high	88.9	Confident	107 Å²	107	86.8 Å²	86.8	56%	0.56	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	120.1	175.8	-179	63.5	0	0	0	109.2	L126 F131	L124-L126 HydrophobicContact CD2-CD2 3.64Å; L124-L126 HydrophobicContact CD2-CG 4.22Å; L124-L126 HydrophobicContact CG-CD2 4.06Å; L124-L126 HydrophobicContact CG-CG 4.31Å; L124-F131 HydrophobicContact CB-CD2 4.27Å; L124-F131 HydrophobicContact CD1-CB 4.17Å
125	D	89.4	Confident	89	Confident	57 Å²	57	86.6 Å²	86.6	31%	0.305	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	105.3	164.9	178.3	9.3	0	0	0	108.8	S127 S128 S129 T130 Y132	D125-S127 VanDerWaalsContact C-N 3.25Å; D125-S127 VanDerWaalsContact CG-OG 3.29Å; D125-S127 PolarHBondContact O-N 3.03Å; D125-S127 WeakPolarHBondContact OD1-CB 3.37Å; D125-S127 PolarHBondContact OD1-N 3.33Å; D125-S127 PolarHBondContact OD1-OG 2.03Å; D125-S127 PolarHBondContact OD2-OG 2.83Å; D125-S128 WeakPolarHBondContact CB-OG 3.38Å; D125-S128 WeakPolarHBondContact OD2-CB 3.29Å; D125-S128 PolarHBondContact OD2-OG 3.49Å; D125-S129 CarbonylContact O-C 3.43Å; D125-S129 WeakPolarHBondContact O-CA 3.43Å; D125-S129 PolarHBondContact O-N 3.01Å; D125-T130 PolarHBondContact N-O 2.87Å; D125-T130 PolarHBondContact O-N 2.91Å; D125-Y132 HydrophobicContact CB-CE2 4.1Å
126	L	87.5	Confident	89.2	Confident	139 Å²	139	82.8 Å²	82.8	73%	0.728	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-23.9	179.3	-71	171.1	0	0	0	112.7	L124	L124-L126 HydrophobicContact CD2-CD2 3.64Å; L124-L126 HydrophobicContact CD2-CG 4.22Å; L124-L126 HydrophobicContact CG-CD2 4.06Å; L124-L126 HydrophobicContact CG-CG 4.31Å
127	S	88.6	Confident	89.7	Confident	109 Å²	109	82.6 Å²	82.6	76%	0.762	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-37.2	-179.6	71	0	0	0	0	111.6	D125	D125-S127 VanDerWaalsContact C-N 3.25Å; D125-S127 VanDerWaalsContact CG-OG 3.29Å; D125-S127 PolarHBondContact O-N 3.03Å; D125-S127 WeakPolarHBondContact OD1-CB 3.37Å; D125-S127 PolarHBondContact OD1-N 3.33Å; D125-S127 PolarHBondContact OD1-OG 2.03Å; D125-S127 PolarHBondContact OD2-OG 2.83Å
128	S	91.2	Very high	90	Very high	53 Å²	53	78.7 Å²	78.7	37%	0.371	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	2.6	175.9	60.1	0	0	0	0	113.4	D125 T130	D125-S128 WeakPolarHBondContact CB-OG 3.38Å; D125-S128 WeakPolarHBondContact OD2-CB 3.29Å; D125-S128 PolarHBondContact OD2-OG 3.49Å; S128-T130 PolarHBondContact O-N 3.02Å; S128-T130 VanDerWaalsContact O-N 3.08Å; S128-T130 PolarHBondContact O-OG1 2.92Å; S128-T130 WeakPolarHBondContact OG-CB 3.23Å; S128-T130 PolarHBondContact OG-OG1 3.01Å
129	S	89.1	Confident	90.1	Very high	107 Å²	107	80 Å²	80	75%	0.748	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	32.8	-171.6	-60.2	0	0	0	0	113.9	D125	D125-S129 CarbonylContact O-C 3.43Å; D125-S129 WeakPolarHBondContact O-CA 3.43Å; D125-S129 PolarHBondContact O-N 3.01Å
130	T	92.8	Very high	90.2	Very high	55 Å²	55	76.5 Å²	76.5	34%	0.337	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.9	-173	-61.7	0	0	0	0	110.7	D125 S128 Y132	D125-T130 PolarHBondContact N-O 2.87Å; D125-T130 PolarHBondContact O-N 2.91Å; S128-T130 PolarHBondContact O-N 3.02Å; S128-T130 VanDerWaalsContact O-N 3.08Å; S128-T130 PolarHBondContact O-OG1 2.92Å; S128-T130 WeakPolarHBondContact OG-CB 3.23Å; S128-T130 PolarHBondContact OG-OG1 3.01Å; T130-Y132 HydrophobicContact CG2-CD1 4.46Å; T130-Y132 HydrophobicContact CG2-CD2 4.26Å; T130-Y132 HydrophobicContact CG2-CE1 4.02Å; T130-Y132 HydrophobicContact CG2-CE2 3.8Å
131	F	93.2	Very high	90	Very high	93 Å²	93	75.8 Å²	75.8	41%	0.408	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.3	170.9	-179.5	-106.5	0	0	0	110.3	F111 L124 L133	F111-F131 HydrophobicContact CB-CZ 4.33Å; F111-F131 HydrophobicContact CD1-CE2 4.05Å; F111-F131 AromaticContact CD1-CZ 3.66Å; F111-F131 HydrophobicContact CD1-CZ 3.66Å; F111-F131 AromaticContact CD2-CE1 3.94Å; F111-F131 HydrophobicContact CD2-CE1 3.94Å; F111-F131 AromaticContact CD2-CZ 3.52Å; F111-F131 HydrophobicContact CD2-CZ 3.52Å; F111-F131 HydrophobicContact CE1-CE2 4.28Å; F111-F131 AromaticContact CE1-CZ 3.78Å; F111-F131 HydrophobicContact CE1-CZ 3.78Å; F111-F131 HydrophobicContact CE2-CE1 4.18Å; F111-F131 AromaticContact CE2-CZ 3.7Å; F111-F131 HydrophobicContact CE2-CZ 3.7Å; F111-F131 HydrophobicContact CG-CE1 4.29Å; F111-F131 HydrophobicContact CG-CE2 4.23Å; F111-F131 AromaticContact CG-CZ 3.53Å; F111-F131 HydrophobicContact CG-CZ 3.53Å; F111-F131 AromaticContact CZ-CZ 3.83Å; F111-F131 HydrophobicContact CZ-CZ 3.83Å; L124-F131 HydrophobicContact CB-CD2 4.27Å; L124-F131 HydrophobicContact CD1-CB 4.17Å; F131-L133 HydrophobicContact CD1-CB 4.45Å; F131-L133 HydrophobicContact CE1-CB 3.99Å; F131-L133 HydrophobicContact CE1-CD1 4.23Å
132	Y	91.5	Very high	89.7	Confident	114 Å²	114	81.1 Å²	81.1	45%	0.447	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.2	175.8	-61.1	-88	0	0	0	109.4	G122 S123 D125 T130	G122-Y132 CarbonylContact C-O 3.54Å; G122-Y132 WeakPolarHBondContact CA-O 3.39Å; S123-Y132 PolarHBondContact N-O 2.86Å; S123-Y132 PolarHBondContact O-N 3.01Å; D125-Y132 HydrophobicContact CB-CE2 4.1Å; T130-Y132 HydrophobicContact CG2-CD1 4.46Å; T130-Y132 HydrophobicContact CG2-CD2 4.26Å; T130-Y132 HydrophobicContact CG2-CE1 4.02Å; T130-Y132 HydrophobicContact CG2-CE2 3.8Å
133	L	91.3	Very high	88.9	Confident	104 Å²	104	84.9 Å²	84.9	55%	0.545	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.7	173.4	179.3	67.7	0	0	0	109.9	F111 V120 F131	F111-L133 HydrophobicContact CD2-CD1 4.32Å; F111-L133 HydrophobicContact CE2-CD1 3.49Å; F111-L133 VanDerWaalsContact CE2-CD1 3.49Å; F111-L133 HydrophobicContact CZ-CD1 4.21Å; V120-L133 HydrophobicContact CB-CD1 4.29Å; V120-L133 HydrophobicContact CG2-CD1 4.25Å; F131-L133 HydrophobicContact CD1-CB 4.45Å; F131-L133 HydrophobicContact CE1-CB 3.99Å; F131-L133 HydrophobicContact CE1-CD1 4.23Å
134	N	92.1	Very high	87.7	Confident	80 Å²	80	84.4 Å²	84.4	43%	0.428	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.6	-179.7	-62.9	-72.5	0	0	0	110.8	Y121 A136	Y121-N134 PolarHBondContact N-O 3.42Å; Y121-N134 PolarHBondContact O-N 3.18Å; Y121-N134 VanDerWaalsContact O-O 3.13Å; N134-A136 WeakPolarHBondContact CB-O 3.39Å
135	H	90.1	Very high	86.5	Confident	44 Å²	44	83.9 Å²	83.9	20%	0.204	46%	0.461	C	S	.	.	S	Bend	trans	-75.7	-30.3	173.2	-169.3	77.5	0	0	0	112.3	W657 Y691	H135-W657 AromaticContact CD2-CH2 3.43Å; H135-W657 VanDerWaalsContact CD2-CH2 3.43Å; H135-W657 WeakPolarHBondContact CD2-CH2 3.28Å; H135-W657 AromaticContact CD2-CZ2 3.39Å; H135-W657 WeakPolarHBondContact CD2-CZ2 3.33Å; H135-W657 AromaticContact NE2-CH2 3.46Å; H135-W657 WeakPolarHBondContact NE2-CH2 3.36Å; H135-W657 AromaticContact NE2-CZ2 3.43Å; H135-W657 WeakPolarHBondContact NE2-CZ2 3.37Å; H135-W657 PolarHBondContact O-NE1 3.17Å; H135-Y691 PolarHBondContact CD2-O 2.86Å; H135-Y691 VanDerWaalsContact CD2-O 3.23Å
136	A	91.7	Very high	85.6	Confident	10 Å²	10	86.6 Å²	86.6	8%	0.083	47%	0.472	C	S	.	.	S	Bend	trans	-122.8	156.6	-179.5	0	0	0	0	0	112.3	N134 V138 W657 L692	N134-A136 WeakPolarHBondContact CB-O 3.39Å; A136-V138 VanDerWaalsContact C-N 3.34Å; A136-V138 HydrophobicContact CB-CG2 4.24Å; A136-W657 HydrophobicContact CB-CB 4.23Å; A136-W657 HydrophobicContact CB-CD2 3.78Å; A136-W657 HydrophobicContact CB-CE3 4.26Å; A136-W657 HydrophobicContact CB-CG 3.77Å; A136-L692 HydrophobicContact CB-CB 4.48Å; A136-L692 HydrophobicContact CB-CD2 3.57Å
137	D	89.9	Confident	85.3	Confident	91 Å²	91	88 Å²	88	49%	0.487	47%	0.472	S	S	.	.	S	Bend	trans	-97.2	26	176.9	59	-6.9	0	0	0	113.5	Y121 W657	Y121-D137 HydrophobicContact CD1-CB 3.6Å; Y121-D137 HydrophobicContact CD2-CB 4.14Å; Y121-D137 HydrophobicContact CE1-CB 3.47Å; Y121-D137 VanDerWaalsContact CE1-CB 3.47Å; Y121-D137 WeakPolarHBondContact CE1-OD2 3.35Å; Y121-D137 HydrophobicContact CE2-CB 4.08Å; Y121-D137 HydrophobicContact CG-CB 3.9Å; Y121-D137 PolarHBondContact OH-OD2 2.73Å; D137-W657 VanDerWaalsContact OD1-CB 3.27Å; D137-W657 WeakPolarHBondContact OD1-CB 3.32Å
138	V	89.6	Confident	85.3	Confident	40 Å²	40	83.5 Å²	83.5	24%	0.242	44%	0.439	C	S	.	.	S	Bend	trans	-138.4	151.1	-178.8	-61.1	0	0	0	0	110.4	A136 W657 L692	A136-V138 VanDerWaalsContact C-N 3.34Å; A136-V138 HydrophobicContact CB-CG2 4.24Å; V138-W657 HydrophobicContact CG1-CB 4.18Å; V138-W657 HydrophobicContact CG2-CB 3.93Å; V138-L692 HydrophobicContact CG2-CD2 3.94Å
139	D	86.6	Confident	85.3	Confident	151 Å²	151	84.6 Å²	84.6	81%	0.807	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-61.3	138.8	170.8	-63.8	-35.9	0	0	0	110.5	P141	D139-P141 WeakPolarHBondContact O-CD 3.43Å
140	I	87.7	Confident	85.4	Confident	72 Å²	72	80.2 Å²	80.2	37%	0.369	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-65.9	121.5	174.7	-59.3	175.2	0	0	0	108.3	K142 T689 L692 Q693	I140-K142 PolarHBondContact O-N 2.87Å; I140-T689 HydrophobicContact CG2-CG2 3.54Å; I140-L692 HydrophobicContact CG1-CB 4.42Å; I140-Q693 HydrophobicContact CD1-CG 3.64Å
141	P	85.7	Confident	85.4	Confident	9 Å²	9	79.8 Å²	79.8	6%	0.058	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-58.5	120.5	176.3	-26	36.7	0	0	0	111.3	D139 S661 I664 K665 L692	D139-P141 WeakPolarHBondContact O-CD 3.43Å; P141-S661 VanDerWaalsContact CG-OG 3.26Å; P141-S661 WeakPolarHBondContact CG-OG 3.38Å; P141-I664 HydrophobicContact CB-CG2 3.88Å; P141-I664 HydrophobicContact CG-CB 4.2Å; P141-I664 HydrophobicContact CG-CD1 4.4Å; P141-I664 HydrophobicContact CG-CG2 4.04Å; P141-K665 HydrophobicContact CB-CG 3.96Å; P141-K665 HydrophobicContact CG-CG 4.26Å; P141-L692 VanDerWaalsContact CD-CD1 3.42Å; P141-L692 HydrophobicContact CG-CD1 4.37Å
142	K	84.1	Confident	85.3	Confident	173 Å²	173	75.8 Å²	75.8	75%	0.752	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-80.3	147.3	168.3	-62.4	-176.5	179.4	-175.7	0	109	I140 Y144	I140-K142 PolarHBondContact O-N 2.87Å; K142-Y144 PolarHBondContact O-N 2.78Å
143	P	74.2	Confident	85.3	Confident	109 Å²	109	72 Å²	72	71%	0.708	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-49.8	128.4	169.5	-24.8	33.6	0	0	0	109.8	S145	P143-S145 PolarHBondContact O-N 2.83Å
144	Y	65.9	Low	85.4	Confident	55 Å²	55	67 Å²	67	22%	0.216	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-68.4	129.2	-178.1	-171.6	-125.3	0	0	0	109.3	K142 H146 E156	K142-Y144 PolarHBondContact O-N 2.78Å; Y144-H146 VanDerWaalsContact C-N 3.26Å; Y144-H146 HydrophobicContact CD1-CB 4.36Å; Y144-H146 WeakPolarHBondContact CD1-O 3.39Å; Y144-H146 HydrophobicContact CE1-CB 3.7Å; Y144-H146 WeakPolarHBondContact CE1-O 3.21Å; Y144-H146 PolarHBondContact O-N 2.76Å; Y144-E156 HydrophobicContact CD2-CG 3.98Å; Y144-E156 HydrophobicContact CE2-CG 4.09Å
145	S	63.8	Low	85.2	Confident	96 Å²	96	63.8 Å²	63.8	67%	0.671	34%	0.335	S	S	*	.	S	Bend	trans	-75	-12.6	-173.2	52.7	0	0	0	0	114.1	P143	P143-S145 PolarHBondContact O-N 2.83Å
146	H	70.1	Confident	85	Confident	115 Å²	115	62.7 Å²	62.7	53%	0.532	33%	0.33	S	S	.	.	S	Bend	trans	-121.1	141	-174.8	-56.3	-68.2	0	0	0	110.8	Y144	Y144-H146 VanDerWaalsContact C-N 3.26Å; Y144-H146 HydrophobicContact CD1-CB 4.36Å; Y144-H146 WeakPolarHBondContact CD1-O 3.39Å; Y144-H146 HydrophobicContact CE1-CB 3.7Å; Y144-H146 WeakPolarHBondContact CE1-O 3.21Å; Y144-H146 PolarHBondContact O-N 2.76Å
147	K	82.1	Confident	84.9	Confident	168 Å²	168	62.3 Å²	62.3	73%	0.73	33%	0.327	S	S	*	.			trans	-68.1	141.8	173.1	-65.1	-174.4	175.7	-179	0	110.5	N149 D672	K147-N149 PolarHBondContact O-N 2.79Å; K147-D672 WeakPolarHBondContact CA-OD2 3.42Å
148	H	89.5	Confident	84.7	Confident	14 Å²	14	60 Å²	60	7%	0.065	31%	0.313	C	S	.	.			trans	-60.9	124.7	175.7	178.2	83.4	0	0	0	111.1	Y573 D574 T669 L673	H148-Y573 AromaticContact CD2-CE1 3.92Å; H148-D574 IonicContact CD2-OD1 3.18Å; H148-D574 IonicContact CE1-OD1 3.3Å; H148-D574 IonicContact NE2-OD1 2.85Å; H148-D574 PolarHBondContact NE2-OD1 3.16Å; H148-D574 IonicContact NE2-OD2 3.4Å; H148-T669 HydrophobicContact CB-CG2 4.1Å; H148-L673 HydrophobicContact CB-CD1 3.56Å
149	N	90.5	Very high	84.4	Confident	77 Å²	77	64.1 Å²	64.1	41%	0.412	33%	0.327	S	S	.	.			trans	-112.7	116.6	179.4	-178.6	-5.8	0	0	0	110	K147 V151 G152 R507	K147-N149 PolarHBondContact O-N 2.79Å; N149-V151 PolarHBondContact O-N 2.84Å; N149-V151 VanDerWaalsContact O-N 3.09Å; N149-V151 VanDerWaalsContact OD1-CG2 3.23Å; N149-V151 WeakPolarHBondContact OD1-CG2 3.35Å; N149-V151 PolarHBondContact OD1-N 2.87Å; N149-G152 PolarHBondContact O-N 2.94Å; N149-G152 PolarHBondContact OD1-N 2.76Å; N149-R507 PolarHBondContact O-NH2 3.25Å; N149-R507 VanDerWaalsContact O-NH2 3.07Å
150	P	92.1	Very high	84.2	Confident	14 Å²	14	60.5 Å²	60.5	9%	0.091	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-29.3	177.1	-31.7	37.9	0	0	0	115.6	R507 Y573 D574 K577	P150-R507 WeakPolarHBondContact O-CG 3.49Å; P150-R507 PolarHBondContact O-NH1 3.48Å; P150-R507 PolarHBondContact O-NH2 2.79Å; P150-Y573 HydrophobicContact CG-CD1 4.25Å; P150-Y573 HydrophobicContact CG-CE1 3.81Å; P150-D574 WeakPolarHBondContact CA-OD1 3.36Å; P150-D574 HydrophobicContact CB-CB 4.14Å; P150-K577 HydrophobicContact CB-CB 4.27Å; P150-K577 HydrophobicContact CG-CB 3.57Å; P150-K577 HydrophobicContact CG-CG 3.99Å
151	V	91	Very high	84.2	Confident	46 Å²	46	58.9 Å²	58.9	28%	0.279	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	3	178.3	-61.4	0	0	0	0	113.1	N149 F202 N510 L578	N149-V151 PolarHBondContact O-N 2.84Å; N149-V151 VanDerWaalsContact O-N 3.09Å; N149-V151 VanDerWaalsContact OD1-CG2 3.23Å; N149-V151 WeakPolarHBondContact OD1-CG2 3.35Å; N149-V151 PolarHBondContact OD1-N 2.87Å; V151-F202 WeakPolarHBondContact O-CZ 3.38Å; V151-N510 HydrophobicContact CB-CB 4.31Å; V151-N510 HydrophobicContact CG1-CB 3.75Å; V151-L578 HydrophobicContact CG1-CD1 4.34Å
152	G	91.4	Very high	84.5	Confident	9 Å²	9	58.4 Å²	58.4	9%	0.093	29%	0.294	C	S	.	.	S	Bend	trans	-107.6	-162.4	176.3	0	0	0	0	0	112.6	N149 Y154 F202 R507	N149-G152 PolarHBondContact O-N 2.94Å; N149-G152 PolarHBondContact OD1-N 2.76Å; G152-Y154 PolarHBondContact O-N 2.86Å; G152-F202 WeakPolarHBondContact O-CE1 3.47Å; G152-R507 PolarHBondContact O-NE 3.03Å; G152-R507 PolarHBondContact O-NH2 2.87Å; G152-R507 VanDerWaalsContact O-NH2 3.17Å
153	I	91.4	Very high	84.9	Confident	35 Å²	35	50.3 Å²	50.3	18%	0.179	26%	0.259	C	S	.	.			trans	-47.4	129.5	176.9	-63.2	175.5	0	0	0	109.7	M155 H158 V206 I207	I153-M155 VanDerWaalsContact CG2-O 3.3Å; I153-M155 WeakPolarHBondContact CG2-O 3.46Å; I153-M155 PolarHBondContact O-N 2.87Å; I153-H158 HydrophobicContact CG2-CB 4.46Å; I153-H158 VanDerWaalsContact CG2-ND1 3.28Å; I153-H158 WeakPolarHBondContact CG2-ND1 3.1Å; I153-V206 HydrophobicContact CG1-CB 4.21Å; I153-V206 HydrophobicContact CG1-CG1 3.94Å; I153-I207 HydrophobicContact CD1-CD1 3.99Å; I153-I207 HydrophobicContact CD1-CG1 3.65Å; I153-I207 HydrophobicContact CG1-CG1 4.44Å
154	Y	93.2	Very high	85.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.			trans	-81.7	104.1	178.5	-178.8	-104.5	0	0	0	109.9	G152 E156 F157 L199 S203 S503 Y567 V570	G152-Y154 PolarHBondContact O-N 2.86Å; Y154-E156 PolarHBondContact O-N 3.34Å; Y154-F157 HydrophobicContact CD1-CB 4.3Å; Y154-F157 HydrophobicContact CD1-CD1 4.34Å; Y154-F157 AromaticContact CD1-CD2 3.38Å; Y154-F157 HydrophobicContact CD1-CD2 3.38Å; Y154-F157 AromaticContact CD1-CE2 3.65Å; Y154-F157 HydrophobicContact CD1-CE2 3.65Å; Y154-F157 AromaticContact CD1-CG 3.75Å; Y154-F157 HydrophobicContact CD1-CG 3.75Å; Y154-F157 HydrophobicContact CD1-CZ 4.25Å; Y154-F157 AromaticContact CE1-CD2 3.8Å; Y154-F157 HydrophobicContact CE1-CD2 3.8Å; Y154-F157 AromaticContact CE1-CE2 3.53Å; Y154-F157 HydrophobicContact CE1-CE2 3.53Å; Y154-F157 HydrophobicContact CE1-CG 4.44Å; Y154-F157 AromaticContact CE1-CZ 3.99Å; Y154-F157 HydrophobicContact CE1-CZ 3.99Å; Y154-F157 VanDerWaalsContact O-CB 3.28Å; Y154-F157 WeakPolarHBondContact O-CB 3.1Å; Y154-F157 WeakPolarHBondContact O-CD2 3.04Å; Y154-F157 PolarHBondContact O-N 2.85Å; Y154-L199 HydrophobicContact CD1-CB 3.99Å; Y154-L199 HydrophobicContact CD1-CD1 3.73Å; Y154-L199 HydrophobicContact CD1-CD2 4.2Å; Y154-L199 HydrophobicContact CD1-CG 4.18Å; Y154-L199 HydrophobicContact CD2-CD1 4.42Å; Y154-L199 HydrophobicContact CD2-CD2 3.98Å; Y154-L199 HydrophobicContact CE1-CD1 3.66Å; Y154-L199 HydrophobicContact CE2-CD1 4.34Å; Y154-L199 HydrophobicContact CG-CB 4.26Å; Y154-L199 HydrophobicContact CG-CD1 4.11Å; Y154-L199 HydrophobicContact CG-CD2 3.76Å; Y154-L199 HydrophobicContact CG-CG 4.26Å; Y154-S203 PolarHBondContact N-OG 2.82Å; Y154-S503 WeakPolarHBondContact CE2-OG 3.25Å; Y154-Y567 HydrophobicContact CE1-CE1 4.18Å; Y154-Y567 VanDerWaalsContact OH-CD1 3.25Å; Y154-Y567 WeakPolarHBondContact OH-CD1 3.5Å; Y154-V570 HydrophobicContact CE2-CG1 3.62Å
155	M	89.5	Confident	86.7	Confident	11 Å²	11	47.2 Å²	47.2	5%	0.054	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-122.5	-175.7	-54.9	178.3	77	0	0	111	I153 Y567 Q666 T669	I153-M155 VanDerWaalsContact CG2-O 3.3Å; I153-M155 WeakPolarHBondContact CG2-O 3.46Å; I153-M155 PolarHBondContact O-N 2.87Å; M155-Y567 HydrophobicContact SD-CD1 4.21Å; M155-Y567 HydrophobicContact SD-CE1 3.59Å; M155-Y567 VanDerWaalsContact SD-CE1 3.59Å; M155-Q666 HydrophobicContact CE-CB 4.49Å; M155-Q666 HydrophobicContact CE-CG 3.77Å; M155-T669 HydrophobicContact CE-CG2 4.23Å; M155-T669 VanDerWaalsContact CE-OG1 3.27Å; M155-T669 WeakPolarHBondContact CE-OG1 3.36Å; M155-T669 HydrophobicContact CG-CG2 4.29Å
156	E	85.8	Confident	87.9	Confident	21 Å²	21	48.1 Å²	48.1	10%	0.098	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	24	174.5	-59.5	-162	122	0	0	113.6	Y144 Y154 H158 K159 K665	Y144-E156 HydrophobicContact CD2-CG 3.98Å; Y144-E156 HydrophobicContact CE2-CG 4.09Å; Y154-E156 PolarHBondContact O-N 3.34Å; E156-H158 PolarHBondContact O-N 2.87Å; E156-K159 HydrophobicContact CB-CD 4.31Å; E156-K159 PolarHBondContact O-N 2.78Å; E156-K159 IonicContact OE1-NZ 2.79Å; E156-K159 PolarHBondContact OE1-NZ 3.45Å; E156-K665 WeakPolarHBondContact OE2-CD 3.35Å; E156-K665 VanDerWaalsContact OE2-CE 3.29Å; E156-K665 WeakPolarHBondContact OE2-CE 3.39Å; E156-K665 IonicContact OE2-NZ 2.74Å; E156-K665 PolarHBondContact OE2-NZ 2.86Å
157	F	88.2	Confident	88.9	Confident	3 Å²	3	44.6 Å²	44.6	1%	0.013	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-62.6	-20.7	-170.5	-93	-116.7	0	0	0	114.6	Y154 K159 F160 Q196 L199 N200 Y567	Y154-F157 HydrophobicContact CD1-CB 4.3Å; Y154-F157 HydrophobicContact CD1-CD1 4.34Å; Y154-F157 AromaticContact CD1-CD2 3.38Å; Y154-F157 HydrophobicContact CD1-CD2 3.38Å; Y154-F157 AromaticContact CD1-CE2 3.65Å; Y154-F157 HydrophobicContact CD1-CE2 3.65Å; Y154-F157 AromaticContact CD1-CG 3.75Å; Y154-F157 HydrophobicContact CD1-CG 3.75Å; Y154-F157 HydrophobicContact CD1-CZ 4.25Å; Y154-F157 AromaticContact CE1-CD2 3.8Å; Y154-F157 HydrophobicContact CE1-CD2 3.8Å; Y154-F157 AromaticContact CE1-CE2 3.53Å; Y154-F157 HydrophobicContact CE1-CE2 3.53Å; Y154-F157 HydrophobicContact CE1-CG 4.44Å; Y154-F157 AromaticContact CE1-CZ 3.99Å; Y154-F157 HydrophobicContact CE1-CZ 3.99Å; Y154-F157 VanDerWaalsContact O-CB 3.28Å; Y154-F157 WeakPolarHBondContact O-CB 3.1Å; Y154-F157 WeakPolarHBondContact O-CD2 3.04Å; Y154-F157 PolarHBondContact O-N 2.85Å; F157-K159 PolarHBondContact O-N 2.96Å; F157-F160 HydrophobicContact CD2-CD2 4.42Å; F157-F160 HydrophobicContact CD2-CE2 4.45Å; F157-F160 HydrophobicContact CG-CD2 4.36Å; F157-F160 PolarHBondContact O-N 2.92Å; F157-Q196 HydrophobicContact CE1-CB 3.76Å; F157-Q196 HydrophobicContact CE1-CG 3.75Å; F157-Q196 HydrophobicContact CZ-CG 4.01Å; F157-L199 HydrophobicContact CD1-CB 4.08Å; F157-N200 HydrophobicContact CD1-CB 4.28Å; F157-N200 PolarHBondContact O-ND2 2.82Å; F157-Y567 HydrophobicContact CE2-CE1 4.28Å
158	H	85.5	Confident	89.5	Confident	43 Å²	43	36.6 Å²	36.6	20%	0.199	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-61.7	-26.2	172.1	62.7	-81.2	0	0	0	114.3	I153 E156 F160 I207	I153-H158 HydrophobicContact CG2-CB 4.46Å; I153-H158 VanDerWaalsContact CG2-ND1 3.28Å; I153-H158 WeakPolarHBondContact CG2-ND1 3.1Å; E156-H158 PolarHBondContact O-N 2.87Å; H158-F160 VanDerWaalsContact C-N 3.32Å; H158-I207 HydrophobicContact CB-CD1 3.34Å; H158-I207 HydrophobicContact CB-CG1 4.41Å; H158-I207 VanDerWaalsContact CD2-CD1 3.43Å; H158-I207 WeakPolarHBondContact CD2-CD1 3.36Å; H158-I207 VanDerWaalsContact CG-CD1 3.45Å
159	K	83.4	Confident	89.6	Confident	126 Å²	126	39.2 Å²	39.2	55%	0.548	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-79.5	-14.2	-179.1	-60.1	-174.5	179.4	170.1	0	113.2	E156 F157	E156-K159 HydrophobicContact CB-CD 4.31Å; E156-K159 PolarHBondContact O-N 2.78Å; E156-K159 IonicContact OE1-NZ 2.79Å; E156-K159 PolarHBondContact OE1-NZ 3.45Å; F157-K159 PolarHBondContact O-N 2.96Å
160	F	83.6	Confident	89.8	Confident	75 Å²	75	35.9 Å²	35.9	33%	0.329	17%	0.174	S	C	.	.			trans	-94.9	163.4	-178.6	-57	-63.3	0	0	0	112	F157 H158 N200 K204	F157-F160 HydrophobicContact CD2-CD2 4.42Å; F157-F160 HydrophobicContact CD2-CE2 4.45Å; F157-F160 HydrophobicContact CG-CD2 4.36Å; F157-F160 PolarHBondContact O-N 2.92Å; H158-F160 VanDerWaalsContact C-N 3.32Å; F160-N200 PolarHBondContact O-ND2 2.75Å; F160-K204 WeakPolarHBondContact O-CE 3.25Å
161	N	88.1	Confident	90	Very high	37 Å²	37	35.3 Å²	35.3	20%	0.198	17%	0.171	C	C	.	.			trans	-122.2	96.9	161.6	-169.2	-31.9	0	0	0	108.1	E163 K164	N161-E163 VanDerWaalsContact C-N 3.34Å; N161-E163 PolarHBondContact OD1-N 3.16Å; N161-K164 HydrophobicContact CB-CB 4.22Å; N161-K164 HydrophobicContact CB-CG 4.48Å; N161-K164 VanDerWaalsContact ND2-CD 3.32Å; N161-K164 WeakPolarHBondContact ND2-CD 3.25Å; N161-K164 WeakPolarHBondContact ND2-CE 3.47Å; N161-K164 PolarHBondContact O-N 2.9Å; N161-K164 PolarHBondContact OD1-N 2.91Å; N161-K164 VanDerWaalsContact OD1-N 3.16Å
162	V	92.1	Very high	90.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-69.3	-37	-174	176.1	0	0	0	0	111.2	K164 R165 V168 Q196 F197 N200	V162-K164 VanDerWaalsContact C-N 3.29Å; V162-K164 PolarHBondContact O-N 3.48Å; V162-R165 WeakPolarHBondContact O-CB 3.26Å; V162-R165 WeakPolarHBondContact O-CG 3.47Å; V162-R165 PolarHBondContact O-N 3.1Å; V162-V168 WeakPolarHBondContact O-CG2 3.17Å; V162-Q196 HydrophobicContact CG1-CB 4.15Å; V162-Q196 HydrophobicContact CG2-CB 4.35Å; V162-F197 HydrophobicContact CG1-CB 4Å; V162-N200 HydrophobicContact CB-CB 4.19Å; V162-N200 HydrophobicContact CG2-CB 3.6Å; V162-N200 PolarHBondContact N-OD1 2.89Å
163	E	90.9	Very high	90.3	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.014	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-34.8	178.3	169.5	163.2	-162.8	0	0	112.5	N161 R165 I171 F197 H201 T368 K372 R455	N161-E163 VanDerWaalsContact C-N 3.34Å; N161-E163 PolarHBondContact OD1-N 3.16Å; E163-R165 VanDerWaalsContact C-N 3.34Å; E163-R165 PolarHBondContact O-N 2.83Å; E163-I171 HydrophobicContact CB-CD1 4.33Å; E163-I171 HydrophobicContact CG-CD1 3.95Å; E163-I171 HydrophobicContact CG-CG1 3.89Å; E163-I171 VanDerWaalsContact OE1-CG1 3.26Å; E163-I171 WeakPolarHBondContact OE1-CG1 3.28Å; E163-F197 HydrophobicContact CB-CD2 4.26Å; E163-F197 HydrophobicContact CB-CE2 4.07Å; E163-H201 IonicContact OE2-NE2 2.67Å; E163-T368 HydrophobicContact CG-CG2 3.83Å; E163-K372 WeakPolarHBondContact O-CE 3.49Å; E163-K372 PolarHBondContact O-NZ 3.26Å; E163-R455 IonicContact OE1-CZ 3Å; E163-R455 IonicContact OE1-NH2 3.18Å; E163-R455 PolarHBondContact OE1-NH2 3.45Å; E163-R455 IonicContact OE2-NE 2.8Å; E163-R455 IonicContact OE2-NH2 3.68Å
164	K	89	Confident	90.4	Very high	37 Å²	37	32.3 Å²	32.3	16%	0.161	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	6.7	177.5	-65.8	-173.9	-175.7	-177.8	0	115	N161 V162 T368 L391	N161-K164 HydrophobicContact CB-CB 4.22Å; N161-K164 HydrophobicContact CB-CG 4.48Å; N161-K164 VanDerWaalsContact ND2-CD 3.32Å; N161-K164 WeakPolarHBondContact ND2-CD 3.25Å; N161-K164 WeakPolarHBondContact ND2-CE 3.47Å; N161-K164 PolarHBondContact O-N 2.9Å; N161-K164 PolarHBondContact OD1-N 2.91Å; N161-K164 VanDerWaalsContact OD1-N 3.16Å; V162-K164 VanDerWaalsContact C-N 3.29Å; V162-K164 PolarHBondContact O-N 3.48Å; K164-T368 VanDerWaalsContact CE-OG1 3.25Å; K164-T368 WeakPolarHBondContact CE-OG1 3.38Å; K164-L391 HydrophobicContact CB-CD2 4.46Å; K164-L391 HydrophobicContact CB-CG 4.43Å; K164-L391 WeakPolarHBondContact O-CD2 3.45Å
165	R	90.2	Very high	90.4	Very high	62 Å²	62	34 Å²	34	23%	0.234	16%	0.159	C	C	.	.	S	Bend	trans	-72.1	147.3	176.5	-65.2	176.3	177.3	176.2	0.4	112.5	V162 E163 N167 V168 K372	V162-R165 WeakPolarHBondContact O-CB 3.26Å; V162-R165 WeakPolarHBondContact O-CG 3.47Å; V162-R165 PolarHBondContact O-N 3.1Å; E163-R165 VanDerWaalsContact C-N 3.34Å; E163-R165 PolarHBondContact O-N 2.83Å; R165-N167 VanDerWaalsContact C-N 3.25Å; R165-N167 VanDerWaalsContact CB-OD1 3.26Å; R165-N167 WeakPolarHBondContact CB-OD1 3.39Å; R165-N167 PolarHBondContact O-N 3.18Å; R165-V168 HydrophobicContact CB-CG2 4.34Å; R165-V168 WeakPolarHBondContact O-CB 3.4Å; R165-V168 PolarHBondContact O-N 2.95Å; R165-K372 PolarHBondContact O-NZ 3.2Å
166	D	88	Confident	90.7	Very high	115 Å²	115	33.6 Å²	33.6	62%	0.615	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.4	-177.2	-64.8	-26.9	0	0	0	114.2	Q181	D166-Q181 PolarHBondContact O-NE2 2.98Å
167	N	92.4	Very high	91.2	Very high	40 Å²	40	32.6 Å²	32.6	21%	0.214	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.7	177.6	66.7	-33.8	0	0	0	113.5	R165 K169 S180 Q181 Q182 Q193	R165-N167 VanDerWaalsContact C-N 3.25Å; R165-N167 VanDerWaalsContact CB-OD1 3.26Å; R165-N167 WeakPolarHBondContact CB-OD1 3.39Å; R165-N167 PolarHBondContact O-N 3.18Å; N167-K169 PolarHBondContact O-N 2.93Å; N167-S180 WeakPolarHBondContact O-CA 3.36Å; N167-S180 PolarHBondContact O-OG 2.88Å; N167-Q181 WeakPolarHBondContact O-CG 3.35Å; N167-Q181 PolarHBondContact O-N 3.45Å; N167-Q182 HydrophobicContact CB-CB 4.16Å; N167-Q182 HydrophobicContact CB-CG 4.45Å; N167-Q182 PolarHBondContact ND2-OE1 2.98Å; N167-Q193 PolarHBondContact ND2-NE2 3.08Å; N167-Q193 PolarHBondContact OD1-NE2 3.16Å
168	V	93.9	Very high	91.7	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	114.2	164	-179.9	0	0	0	0	107.3	V162 R165 L170 I171 P178 Q193 K372	V162-V168 WeakPolarHBondContact O-CG2 3.17Å; R165-V168 HydrophobicContact CB-CG2 4.34Å; R165-V168 WeakPolarHBondContact O-CB 3.4Å; R165-V168 PolarHBondContact O-N 2.95Å; V168-L170 WeakPolarHBondContact CG1-O 3.48Å; V168-I171 HydrophobicContact CG1-CD1 3.89Å; V168-P178 HydrophobicContact CG1-CB 3.97Å; V168-P178 HydrophobicContact CG2-CB 4.25Å; V168-Q193 HydrophobicContact CG2-CG 4.21Å; V168-K372 WeakPolarHBondContact O-CE 3.4Å; V168-K372 PolarHBondContact O-NZ 2.97Å
169	K	92	Very high	92.1	Very high	68 Å²	68	30.4 Å²	30.4	30%	0.296	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-47.6	175.3	-173.5	171.2	-179.5	168.8	0	111	N167 I179 Q181 S185 R186 K372	N167-K169 PolarHBondContact O-N 2.93Å; K169-I179 WeakPolarHBondContact CB-O 3.33Å; K169-I179 PolarHBondContact N-O 3.35Å; K169-Q181 HydrophobicContact CB-CB 4.15Å; K169-Q181 HydrophobicContact CB-CG 4.13Å; K169-Q181 HydrophobicContact CD-CB 4.48Å; K169-S185 PolarHBondContact NZ-O 3.34Å; K169-R186 PolarHBondContact NZ-O 2.86Å; K169-K372 WeakPolarHBondContact O-CB 3.34Å
170	L	94.1	Very high	92.7	Very high	8 Å²	8	24.4 Å²	24.4	4%	0.042	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	177.6	177.5	54.5	79.5	0	0	0	109.5	V168 I179 Y331 A332 Y342	V168-L170 WeakPolarHBondContact CG1-O 3.48Å; L170-I179 HydrophobicContact CD1-CB 3.95Å; L170-I179 HydrophobicContact CD1-CG1 3.73Å; L170-I179 HydrophobicContact CG-CB 4.44Å; L170-I179 PolarHBondContact O-N 3.36Å; L170-Y331 HydrophobicContact CD1-CG 4.22Å; L170-A332 HydrophobicContact CD2-CB 3.64Å; L170-Y342 HydrophobicContact CB-CE1 4.32Å; L170-Y342 HydrophobicContact CD2-CE1 4.44Å
171	I	95.5	Very high	93.2	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.3	168	-49.6	-56.4	0	0	0	110	E163 V168 G176 P178 F197 R364	E163-I171 HydrophobicContact CB-CD1 4.33Å; E163-I171 HydrophobicContact CG-CD1 3.95Å; E163-I171 HydrophobicContact CG-CG1 3.89Å; E163-I171 VanDerWaalsContact OE1-CG1 3.26Å; E163-I171 WeakPolarHBondContact OE1-CG1 3.28Å; V168-I171 HydrophobicContact CG1-CD1 3.89Å; I171-G176 WeakPolarHBondContact CG2-O 3.34Å; I171-P178 HydrophobicContact CD1-CB 3.66Å; I171-F197 HydrophobicContact CD1-CD2 4.41Å; I171-F197 HydrophobicContact CD1-CE2 3.95Å; I171-F197 HydrophobicContact CD1-CZ 4.49Å; I171-R364 PolarHBondContact O-NH1 3.42Å; I171-R364 PolarHBondContact O-NH2 2.91Å
172	A	95	Very high	93.4	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.008	12%	0.123	C	C	.	.			trans	-56.4	138.6	176.5	0	0	0	0	0	110.6	E175 G176 V177 I179 Y331 R364	A172-E175 HydrophobicContact CB-CB 4.38Å; A172-G176 WeakPolarHBondContact O-CA 3.43Å; A172-G176 PolarHBondContact O-N 2.97Å; A172-G176 VanDerWaalsContact O-N 3.17Å; A172-V177 PolarHBondContact N-O 2.91Å; A172-I179 HydrophobicContact CB-CD1 4.22Å; A172-I179 HydrophobicContact CB-CG1 4.2Å; A172-Y331 HydrophobicContact CB-CD1 4.22Å; A172-Y331 HydrophobicContact CB-CE1 4.31Å; A172-R364 PolarHBondContact O-NH1 3.36Å; A172-R364 VanDerWaalsContact O-NH1 3.09Å
173	A	94.9	Very high	93.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-31.3	-168.7	0	0	0	0	0	114.1	Y319 M344	A173-Y319 HydrophobicContact CB-CD1 3.97Å; A173-M344 HydrophobicContact CB-CE 3.92Å; A173-M344 HydrophobicContact CB-CG 3.8Å
174	D	92.3	Very high	93.6	Very high	25 Å²	25	30.7 Å²	30.7	13%	0.134	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-54.1	175.9	41.5	7.1	0	0	0	112.5	G176 M344 P345 E346 C347	D174-G176 VanDerWaalsContact C-N 3.32Å; D174-G176 PolarHBondContact O-N 3.24Å; D174-M344 HydrophobicContact CB-CB 3.76Å; D174-M344 HydrophobicContact CB-CG 3.88Å; D174-M344 HydrophobicContact CB-SD 4.17Å; D174-M344 WeakPolarHBondContact OD2-CA 3.32Å; D174-M344 WeakPolarHBondContact OD2-CB 3.49Å; D174-P345 WeakPolarHBondContact OD2-CD 3.46Å; D174-E346 HydrophobicContact CB-CB 4.46Å; D174-E346 WeakPolarHBondContact OD2-CA 3.46Å; D174-E346 VanDerWaalsContact OD2-CB 3.25Å; D174-E346 WeakPolarHBondContact OD2-CB 3.37Å; D174-E346 PolarHBondContact OD2-N 3.49Å; D174-C347 HydrophobicContact CB-CB 4.32Å; D174-C347 PolarHBondContact OD2-N 2.66Å
175	E	93.8	Very high	93.6	Very high	34 Å²	34	33.3 Å²	33.3	16%	0.159	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-15.6	-175.7	-61.3	-159.3	114.4	0	0	113.1	A172 V177 E346 S458 K465 H466	A172-E175 HydrophobicContact CB-CB 4.38Å; E175-V177 HydrophobicContact CB-CG2 3.97Å; E175-V177 PolarHBondContact O-N 3.47Å; E175-E346 HydrophobicContact CG-CB 4.12Å; E175-E346 HydrophobicContact CG-CG 4.35Å; E175-S458 WeakPolarHBondContact O-CB 3.48Å; E175-K465 IonicContact OE1-NZ 2.72Å; E175-K465 PolarHBondContact OE1-NZ 3.06Å; E175-H466 IonicContact OE1-CE1 2.86Å; E175-H466 PolarHBondContact OE1-CE1 2.98Å; E175-H466 IonicContact OE1-NE2 3.18Å
176	G	96	Very high	93.6	Very high	3 Å²	3	37.8 Å²	37.8	3%	0.031	18%	0.184	C	C	.	.			trans	69.2	13	175.9	0	0	0	0	0	115.6	I171 A172 D174 F197	I171-G176 WeakPolarHBondContact CG2-O 3.34Å; A172-G176 WeakPolarHBondContact O-CA 3.43Å; A172-G176 PolarHBondContact O-N 2.97Å; A172-G176 VanDerWaalsContact O-N 3.17Å; D174-G176 VanDerWaalsContact C-N 3.32Å; D174-G176 PolarHBondContact O-N 3.24Å; G176-F197 WeakPolarHBondContact O-CE1 3.44Å
177	V	97.2	Very high	93.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.			trans	-111.3	153.8	-176.9	-65	0	0	0	0	113.6	A172 E175 I194 W462	A172-V177 PolarHBondContact N-O 2.91Å; E175-V177 HydrophobicContact CB-CG2 3.97Å; E175-V177 PolarHBondContact O-N 3.47Å; V177-I194 HydrophobicContact CB-CD1 4.38Å; V177-I194 HydrophobicContact CB-CG1 4.23Å; V177-I194 HydrophobicContact CB-CG2 4.17Å; V177-I194 HydrophobicContact CG1-CG2 3.89Å; V177-I194 HydrophobicContact CG2-CD1 4.32Å; V177-W462 HydrophobicContact CG1-CB 3.75Å; V177-W462 HydrophobicContact CG1-CG 4.01Å; V177-W462 HydrophobicContact CG2-CG 4.2Å
178	P	97.1	Very high	93.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	135.7	-179.9	27.6	-36.7	0	0	0	112.9	V168 I171 Q193 I194 F197	V168-P178 HydrophobicContact CG1-CB 3.97Å; V168-P178 HydrophobicContact CG2-CB 4.25Å; I171-P178 HydrophobicContact CD1-CB 3.66Å; P178-Q193 HydrophobicContact CB-CG 4.33Å; P178-Q193 HydrophobicContact CG-CG 4.14Å; P178-I194 HydrophobicContact CG-CG1 3.95Å; P178-F197 HydrophobicContact CG-CB 3.76Å; P178-F197 HydrophobicContact CG-CD1 4.38Å; P178-F197 HydrophobicContact CG-CD2 4.34Å; P178-F197 HydrophobicContact CG-CG 3.93Å
179	I	95.8	Very high	93.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119.6	167.3	-58.2	-53.9	0	0	0	108.3	K169 L170 A172 Y331	K169-I179 WeakPolarHBondContact CB-O 3.33Å; K169-I179 PolarHBondContact N-O 3.35Å; L170-I179 HydrophobicContact CD1-CB 3.95Å; L170-I179 HydrophobicContact CD1-CG1 3.73Å; L170-I179 HydrophobicContact CG-CB 4.44Å; L170-I179 PolarHBondContact O-N 3.36Å; A172-I179 HydrophobicContact CB-CD1 4.22Å; A172-I179 HydrophobicContact CB-CG1 4.2Å; I179-Y331 HydrophobicContact CB-CD2 4.38Å; I179-Y331 HydrophobicContact CB-CE2 4.42Å; I179-Y331 HydrophobicContact CD1-CD1 4.32Å; I179-Y331 HydrophobicContact CD1-CD2 4.28Å; I179-Y331 HydrophobicContact CD1-CE1 3.75Å; I179-Y331 HydrophobicContact CD1-CE2 3.72Å; I179-Y331 VanDerWaalsContact CD1-CZ 3.42Å; I179-Y331 HydrophobicContact CG1-CD1 4.12Å; I179-Y331 HydrophobicContact CG1-CD2 3.83Å; I179-Y331 HydrophobicContact CG1-CE1 4.06Å; I179-Y331 HydrophobicContact CG1-CE2 3.78Å; I179-Y331 HydrophobicContact CG1-CG 4Å; I179-Y331 HydrophobicContact CG2-CD2 3.85Å; I179-Y331 HydrophobicContact CG2-CE2 3.76Å
180	S	95.7	Very high	94.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	143.3	-177.6	-164.4	0	0	0	0	111.8	N167 Q182 G187 Y188 Y190 Q193	N167-S180 WeakPolarHBondContact O-CA 3.36Å; N167-S180 PolarHBondContact O-OG 2.88Å; S180-Q182 WeakPolarHBondContact OG-CB 3.32Å; S180-Q182 PolarHBondContact OG-N 2.85Å; S180-G187 CarbonylContact O-C 3.46Å; S180-G187 WeakPolarHBondContact O-CA 3.36Å; S180-Y188 PolarHBondContact N-O 3.25Å; S180-Y188 WeakPolarHBondContact O-CD1 3.3Å; S180-Y188 PolarHBondContact O-N 2.96Å; S180-Y190 VanDerWaalsContact CB-CB 3.45Å; S180-Q193 PolarHBondContact OG-OE1 2.68Å
181	Q	93.3	Very high	94.4	Very high	78 Å²	78	30.3 Å²	30.3	36%	0.364	15%	0.152	S	C	.	.			trans	-112.7	18.6	168.2	59.2	-175.4	0.2	0	0	112.7	D166 N167 K169 W183 D184	D166-Q181 PolarHBondContact O-NE2 2.98Å; N167-Q181 WeakPolarHBondContact O-CG 3.35Å; N167-Q181 PolarHBondContact O-N 3.45Å; K169-Q181 HydrophobicContact CB-CB 4.15Å; K169-Q181 HydrophobicContact CB-CG 4.13Å; K169-Q181 HydrophobicContact CD-CB 4.48Å; Q181-W183 PolarHBondContact O-N 2.87Å; Q181-D184 VanDerWaalsContact CA-O 3.31Å; Q181-D184 WeakPolarHBondContact CA-O 3.48Å
182	Q	93.3	Very high	94.5	Very high	60 Å²	60	30.4 Å²	30.4	28%	0.28	15%	0.153	S	C	.	.	S	Bend	trans	-64.9	-42.9	-169.3	-170.1	169.1	-21.7	0	0	113.4	N167 S180	N167-Q182 HydrophobicContact CB-CB 4.16Å; N167-Q182 HydrophobicContact CB-CG 4.45Å; N167-Q182 PolarHBondContact ND2-OE1 2.98Å; S180-Q182 WeakPolarHBondContact OG-CB 3.32Å; S180-Q182 PolarHBondContact OG-N 2.85Å
183	W	94	Very high	94.7	Very high	76 Å²	76	30.4 Å²	30.4	29%	0.288	15%	0.153	S	C	.	.	S	Bend	trans	-113.3	-11.7	179.9	-48.2	130.6	0	0	0	114.3	Q181 Y188 Y190 V478 R480 Y553	Q181-W183 PolarHBondContact O-N 2.87Å; W183-Y188 HydrophobicContact CB-CE1 4.4Å; W183-Y188 WeakPolarHBondContact CB-OH 3.41Å; W183-Y188 PolarHBondContact N-OH 3.35Å; W183-Y190 AromaticContact NE1-CZ 3.61Å; W183-Y190 PolarHBondContact NE1-OH 3.22Å; W183-V478 HydrophobicContact CB-CG2 4.01Å; W183-R480 VanDerWaalsContact CH2-NH1 3.35Å; W183-R480 VanDerWaalsContact CZ3-CZ 3.46Å; W183-Y553 HydrophobicContact CZ2-CE1 4.39Å; W183-Y553 AromaticContact CZ2-CZ 3.99Å; W183-Y553 WeakPolarHBondContact CZ2-OH 3.19Å
184	D	92.3	Very high	94.9	Very high	33 Å²	33	30.4 Å²	30.4	18%	0.176	15%	0.152	C	C	.	.			trans	-147.4	119.9	177.5	-170.8	-27.4	0	0	0	109.1	Q181 R186 G187 Y188 V478	Q181-D184 VanDerWaalsContact CA-O 3.31Å; Q181-D184 WeakPolarHBondContact CA-O 3.48Å; D184-R186 PolarHBondContact O-N 2.8Å; D184-R186 VanDerWaalsContact OD1-CB 3.3Å; D184-R186 WeakPolarHBondContact OD1-CB 3.14Å; D184-R186 WeakPolarHBondContact OD1-CG 3.45Å; D184-R186 PolarHBondContact OD1-N 3.42Å; D184-R186 IonicContact OD1-NE 2.69Å; D184-R186 PolarHBondContact OD1-NE 2.88Å; D184-R186 VanDerWaalsContact OD1-NE 3.16Å; D184-R186 IonicContact OD2-CZ 3.34Å; D184-R186 VanDerWaalsContact OD2-CZ 3.3Å; D184-R186 IonicContact OD2-NE 3.3Å; D184-R186 PolarHBondContact OD2-NE 2.77Å; D184-R186 VanDerWaalsContact OD2-NE 3.08Å; D184-R186 IonicContact OD2-NH2 2.86Å; D184-R186 PolarHBondContact OD2-NH2 2.79Å; D184-G187 PolarHBondContact O-N 2.88Å; D184-Y188 HydrophobicContact CB-CD1 3.96Å; D184-Y188 HydrophobicContact CB-CE1 4.03Å; D184-V478 HydrophobicContact CB-CB 4.43Å; D184-V478 HydrophobicContact CB-CG1 3.9Å
185	S	89.9	Confident	95.2	Very high	93 Å²	93	29.2 Å²	29.2	65%	0.65	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.2	-177.2	56.8	0	0	0	0	113.7	K169 G187	K169-S185 PolarHBondContact NZ-O 3.34Å; S185-G187 PolarHBondContact O-N 3.1Å
186	R	88.3	Confident	95.4	Very high	155 Å²	155	28.4 Å²	28.4	59%	0.585	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.7	175.3	-64.8	179.4	-65.1	167.2	4.3	111.9	K169 D184	K169-R186 PolarHBondContact NZ-O 2.86Å; D184-R186 PolarHBondContact O-N 2.8Å; D184-R186 VanDerWaalsContact OD1-CB 3.3Å; D184-R186 WeakPolarHBondContact OD1-CB 3.14Å; D184-R186 WeakPolarHBondContact OD1-CG 3.45Å; D184-R186 PolarHBondContact OD1-N 3.42Å; D184-R186 IonicContact OD1-NE 2.69Å; D184-R186 PolarHBondContact OD1-NE 2.88Å; D184-R186 VanDerWaalsContact OD1-NE 3.16Å; D184-R186 IonicContact OD2-CZ 3.34Å; D184-R186 VanDerWaalsContact OD2-CZ 3.3Å; D184-R186 IonicContact OD2-NE 3.3Å; D184-R186 PolarHBondContact OD2-NE 2.77Å; D184-R186 VanDerWaalsContact OD2-NE 3.08Å; D184-R186 IonicContact OD2-NH2 2.86Å; D184-R186 PolarHBondContact OD2-NH2 2.79Å
187	G	91.8	Very high	95.5	Very high	15 Å²	15	28.3 Å²	28.3	16%	0.155	14%	0.141	C	C	.	.			trans	97.3	134.8	-178.7	0	0	0	0	0	112	S180 D184 S185	S180-G187 CarbonylContact O-C 3.46Å; S180-G187 WeakPolarHBondContact O-CA 3.36Å; D184-G187 PolarHBondContact O-N 2.88Å; S185-G187 PolarHBondContact O-N 3.1Å
188	Y	94.1	Very high	95.6	Very high	14 Å²	14	28.3 Å²	28.3	6%	0.055	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	153.5	177.7	61.7	-77.8	0	0	0	110.5	S180 W183 D184 Y190 V476 V478	S180-Y188 PolarHBondContact N-O 3.25Å; S180-Y188 WeakPolarHBondContact O-CD1 3.3Å; S180-Y188 PolarHBondContact O-N 2.96Å; W183-Y188 HydrophobicContact CB-CE1 4.4Å; W183-Y188 WeakPolarHBondContact CB-OH 3.41Å; W183-Y188 PolarHBondContact N-OH 3.35Å; D184-Y188 HydrophobicContact CB-CD1 3.96Å; D184-Y188 HydrophobicContact CB-CE1 4.03Å; Y188-Y190 AromaticContact CE2-CD2 3.91Å; Y188-Y190 HydrophobicContact CE2-CD2 3.91Å; Y188-Y190 AromaticContact CE2-CG 3.93Å; Y188-Y190 HydrophobicContact CE2-CG 3.93Å; Y188-Y190 PolarHBondContact O-N 3.27Å; Y188-V476 HydrophobicContact CE2-CG1 4Å; Y188-V478 HydrophobicContact CD1-CG1 3.56Å; Y188-V478 HydrophobicContact CD1-CG2 4.29Å; Y188-V478 HydrophobicContact CD2-CG1 3.85Å; Y188-V478 HydrophobicContact CD2-CG2 3.89Å; Y188-V478 HydrophobicContact CE1-CB 4.49Å; Y188-V478 HydrophobicContact CE1-CG1 3.98Å; Y188-V478 HydrophobicContact CE1-CG2 3.91Å; Y188-V478 HydrophobicContact CE2-CG1 4.24Å; Y188-V478 HydrophobicContact CE2-CG2 3.47Å; Y188-V478 VanDerWaalsContact CE2-CG2 3.47Å; Y188-V478 HydrophobicContact CG-CG1 3.51Å; Y188-V478 HydrophobicContact CG-CG2 4.3Å
189	P	95.7	Very high	95.6	Very high	41 Å²	41	28.3 Å²	28.3	27%	0.266	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	121.8	171	27.6	-33.5	0	0	0	109.6	I194 W462	P189-I194 HydrophobicContact CB-CD1 3.84Å; P189-W462 HydrophobicContact CB-CZ2 3.65Å; P189-W462 HydrophobicContact CG-CZ2 4.19Å
190	Y	97.9	Very high	95.7	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.008	14%	0.141	C	C	.	.			trans	-113	107.3	-178.8	-175.4	-146.1	0	0	0	110.4	S180 W183 Y188 I192 Q193 I194 V476 W492 Y553	S180-Y190 VanDerWaalsContact CB-CB 3.45Å; W183-Y190 AromaticContact NE1-CZ 3.61Å; W183-Y190 PolarHBondContact NE1-OH 3.22Å; Y188-Y190 AromaticContact CE2-CD2 3.91Å; Y188-Y190 HydrophobicContact CE2-CD2 3.91Å; Y188-Y190 AromaticContact CE2-CG 3.93Å; Y188-Y190 HydrophobicContact CE2-CG 3.93Å; Y188-Y190 PolarHBondContact O-N 3.27Å; Y190-I192 VanDerWaalsContact C-N 3.3Å; Y190-I192 HydrophobicContact CD1-CB 4.3Å; Y190-I192 HydrophobicContact CE1-CB 3.87Å; Y190-I192 HydrophobicContact CE1-CD1 4.32Å; Y190-I192 HydrophobicContact CE1-CG1 4.45Å; Y190-I192 HydrophobicContact CE1-CG2 4.47Å; Y190-I192 HydrophobicContact CE2-CB 4.27Å; Y190-I192 HydrophobicContact CE2-CD1 4.07Å; Y190-I192 HydrophobicContact CE2-CG1 4.13Å; Y190-I192 PolarHBondContact O-N 2.81Å; Y190-I192 VanDerWaalsContact O-N 3.13Å; Y190-I192 WeakPolarHBondContact OH-CD1 3.23Å; Y190-Q193 HydrophobicContact CD1-CB 3.87Å; Y190-Q193 HydrophobicContact CG-CB 4.41Å; Y190-Q193 PolarHBondContact O-N 3.3Å; Y190-I194 WeakPolarHBondContact O-CG1 3.34Å; Y190-I194 PolarHBondContact O-N 2.9Å; Y190-V476 HydrophobicContact CD2-CG1 3.94Å; Y190-V476 HydrophobicContact CD2-CG2 4.06Å; Y190-V476 HydrophobicContact CE2-CG1 4.05Å; Y190-V476 HydrophobicContact CE2-CG2 3.92Å; Y190-W492 AromaticContact CE2-CH2 3.95Å; Y190-W492 HydrophobicContact CE2-CH2 3.95Å; Y190-Y553 PolarHBondContact OH-OH 2.96Å
191	P	98.5	Very high	95.7	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.019	14%	0.141	C	C	.	.	H	α-helix	trans	-44.7	-47.5	-176.8	-33.5	34	0	0	0	114.7	Q193 I194 A195 W462 F463 W474 V476	P191-Q193 VanDerWaalsContact C-N 3.32Å; P191-Q193 PolarHBondContact O-N 3.32Å; P191-I194 PolarHBondContact O-N 2.96Å; P191-A195 WeakPolarHBondContact O-CB 3.47Å; P191-A195 PolarHBondContact O-N 2.78Å; P191-W462 HydrophobicContact CB-CZ3 4.49Å; P191-W462 HydrophobicContact CG-CH2 3.99Å; P191-W462 HydrophobicContact CG-CZ3 4.24Å; P191-F463 HydrophobicContact CB-CE1 4.11Å; P191-F463 WeakPolarHBondContact O-CZ 3.48Å; P191-W474 HydrophobicContact CB-CB 3.91Å; P191-W474 HydrophobicContact CG-CB 3.71Å; P191-V476 HydrophobicContact CG-CG2 4.29Å
192	I	98.6	Very high	95.8	Very high	5 Å²	5	25 Å²	25	3%	0.026	13%	0.126	C	C	.	.	H	α-helix	trans	-57.3	-46.2	178.7	-62.1	-179.3	0	0	0	111.3	Y190 Q196 S494 M496 E552	Y190-I192 VanDerWaalsContact C-N 3.3Å; Y190-I192 HydrophobicContact CD1-CB 4.3Å; Y190-I192 HydrophobicContact CE1-CB 3.87Å; Y190-I192 HydrophobicContact CE1-CD1 4.32Å; Y190-I192 HydrophobicContact CE1-CG1 4.45Å; Y190-I192 HydrophobicContact CE1-CG2 4.47Å; Y190-I192 HydrophobicContact CE2-CB 4.27Å; Y190-I192 HydrophobicContact CE2-CD1 4.07Å; Y190-I192 HydrophobicContact CE2-CG1 4.13Å; Y190-I192 PolarHBondContact O-N 2.81Å; Y190-I192 VanDerWaalsContact O-N 3.13Å; Y190-I192 WeakPolarHBondContact OH-CD1 3.23Å; I192-Q196 VanDerWaalsContact CG2-NE2 3.35Å; I192-Q196 WeakPolarHBondContact O-CB 3.07Å; I192-Q196 WeakPolarHBondContact O-CG 3.49Å; I192-Q196 PolarHBondContact O-N 2.89Å; I192-Q196 VanDerWaalsContact O-N 3.07Å; I192-S494 VanDerWaalsContact CD1-OG 3.29Å; I192-S494 WeakPolarHBondContact CD1-OG 3.39Å; I192-M496 HydrophobicContact CD1-CB 4.16Å; I192-M496 HydrophobicContact CD1-CG 4.3Å; I192-M496 HydrophobicContact CD1-SD 4.44Å; I192-M496 HydrophobicContact CG2-CE 3.76Å; I192-M496 HydrophobicContact CG2-CG 4.26Å; I192-M496 HydrophobicContact CG2-SD 4.21Å; I192-E552 HydrophobicContact CD1-CG 4.32Å
193	Q	98	Very high	95.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-72.6	-34.3	-177.8	-173.5	154.2	39	0	0	112.5	N167 V168 P178 S180 Y190 P191 Q196 F197	N167-Q193 PolarHBondContact ND2-NE2 3.08Å; N167-Q193 PolarHBondContact OD1-NE2 3.16Å; V168-Q193 HydrophobicContact CG2-CG 4.21Å; P178-Q193 HydrophobicContact CB-CG 4.33Å; P178-Q193 HydrophobicContact CG-CG 4.14Å; S180-Q193 PolarHBondContact OG-OE1 2.68Å; Y190-Q193 HydrophobicContact CD1-CB 3.87Å; Y190-Q193 HydrophobicContact CG-CB 4.41Å; Y190-Q193 PolarHBondContact O-N 3.3Å; P191-Q193 VanDerWaalsContact C-N 3.32Å; P191-Q193 PolarHBondContact O-N 3.32Å; Q193-Q196 PolarHBondContact O-N 2.95Å; Q193-F197 VanDerWaalsContact O-CB 3.26Å; Q193-F197 WeakPolarHBondContact O-CB 3.49Å; Q193-F197 PolarHBondContact O-N 2.69Å
194	I	98.7	Very high	95.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.6	-44.5	175.3	-62.6	170.1	0	0	0	110.3	V177 P178 P189 Y190 P191 Q196 F197 G198 A459 W462 F463	V177-I194 HydrophobicContact CB-CD1 4.38Å; V177-I194 HydrophobicContact CB-CG1 4.23Å; V177-I194 HydrophobicContact CB-CG2 4.17Å; V177-I194 HydrophobicContact CG1-CG2 3.89Å; V177-I194 HydrophobicContact CG2-CD1 4.32Å; P178-I194 HydrophobicContact CG-CG1 3.95Å; P189-I194 HydrophobicContact CB-CD1 3.84Å; Y190-I194 WeakPolarHBondContact O-CG1 3.34Å; Y190-I194 PolarHBondContact O-N 2.9Å; P191-I194 PolarHBondContact O-N 2.96Å; I194-Q196 PolarHBondContact O-N 3.18Å; I194-F197 WeakPolarHBondContact O-CB 3.34Å; I194-F197 PolarHBondContact O-N 3.34Å; I194-G198 PolarHBondContact O-N 3.31Å; I194-A459 HydrophobicContact CG2-CB 4.14Å; I194-W462 HydrophobicContact CD1-CD2 3.67Å; I194-W462 HydrophobicContact CD1-CE3 3.8Å; I194-W462 HydrophobicContact CD1-CG 4.38Å; I194-W462 HydrophobicContact CD1-CH2 3.89Å; I194-W462 HydrophobicContact CD1-CZ2 3.74Å; I194-W462 HydrophobicContact CD1-CZ3 3.91Å; I194-W462 HydrophobicContact CG2-CB 4.49Å; I194-W462 HydrophobicContact CG2-CD2 4.23Å; I194-W462 HydrophobicContact CG2-CE3 4.01Å; I194-W462 HydrophobicContact CG2-CG 4.43Å; I194-F463 HydrophobicContact CB-CE2 4.32Å; I194-F463 HydrophobicContact CB-CZ 4.24Å; I194-F463 HydrophobicContact CG2-CD2 4.48Å; I194-F463 HydrophobicContact CG2-CE2 3.8Å; I194-F463 HydrophobicContact CG2-CZ 4.17Å
195	A	98.8	Very high	95.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.4	-48.1	174.7	0	0	0	0	0	111.4	P191 F197 G198 L199 F463 Q500	P191-A195 WeakPolarHBondContact O-CB 3.47Å; P191-A195 PolarHBondContact O-N 2.78Å; A195-F197 VanDerWaalsContact C-N 3.28Å; A195-F197 PolarHBondContact O-N 3.2Å; A195-G198 PolarHBondContact O-N 3.34Å; A195-L199 WeakPolarHBondContact O-CB 3.17Å; A195-L199 WeakPolarHBondContact O-CD1 3.46Å; A195-L199 WeakPolarHBondContact O-CG 3.15Å; A195-L199 PolarHBondContact O-N 3.21Å; A195-F463 HydrophobicContact CB-CE2 3.89Å; A195-F463 HydrophobicContact CB-CZ 3.66Å; A195-Q500 HydrophobicContact CB-CB 3.57Å
196	Q	98.4	Very high	95.2	Very high	18 Å²	18	16.1 Å²	16.1	8%	0.084	8%	0.077	C	C	.	.	H	α-helix	trans	-60.4	-39	177.9	-73.2	174.1	8.8	0	0	112.9	F157 V162 I192 Q193 I194 N200	F157-Q196 HydrophobicContact CE1-CB 3.76Å; F157-Q196 HydrophobicContact CE1-CG 3.75Å; F157-Q196 HydrophobicContact CZ-CG 4.01Å; V162-Q196 HydrophobicContact CG1-CB 4.15Å; V162-Q196 HydrophobicContact CG2-CB 4.35Å; I192-Q196 VanDerWaalsContact CG2-NE2 3.35Å; I192-Q196 WeakPolarHBondContact O-CB 3.07Å; I192-Q196 WeakPolarHBondContact O-CG 3.49Å; I192-Q196 PolarHBondContact O-N 2.89Å; I192-Q196 VanDerWaalsContact O-N 3.07Å; Q193-Q196 PolarHBondContact O-N 2.95Å; I194-Q196 PolarHBondContact O-N 3.18Å; Q196-N200 VanDerWaalsContact O-CB 3.25Å; Q196-N200 WeakPolarHBondContact O-CB 3.43Å; Q196-N200 PolarHBondContact O-N 3.43Å
197	F	98.4	Very high	94.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.2	-49.7	175.5	170.3	-95.1	0	0	0	111.2	V162 E163 I171 G176 P178 Q193 I194 A195 L199 N200 H201 R455 A459	V162-F197 HydrophobicContact CG1-CB 4Å; E163-F197 HydrophobicContact CB-CD2 4.26Å; E163-F197 HydrophobicContact CB-CE2 4.07Å; I171-F197 HydrophobicContact CD1-CD2 4.41Å; I171-F197 HydrophobicContact CD1-CE2 3.95Å; I171-F197 HydrophobicContact CD1-CZ 4.49Å; G176-F197 WeakPolarHBondContact O-CE1 3.44Å; P178-F197 HydrophobicContact CG-CB 3.76Å; P178-F197 HydrophobicContact CG-CD1 4.38Å; P178-F197 HydrophobicContact CG-CD2 4.34Å; P178-F197 HydrophobicContact CG-CG 3.93Å; Q193-F197 VanDerWaalsContact O-CB 3.26Å; Q193-F197 WeakPolarHBondContact O-CB 3.49Å; Q193-F197 PolarHBondContact O-N 2.69Å; I194-F197 WeakPolarHBondContact O-CB 3.34Å; I194-F197 PolarHBondContact O-N 3.34Å; A195-F197 VanDerWaalsContact C-N 3.28Å; A195-F197 PolarHBondContact O-N 3.2Å; F197-L199 PolarHBondContact O-N 3Å; F197-N200 WeakPolarHBondContact O-CB 3.32Å; F197-N200 PolarHBondContact O-N 2.99Å; F197-H201 AromaticContact CD2-CD2 3.67Å; F197-H201 AromaticContact CD2-NE2 3.72Å; F197-H201 AromaticContact CE1-CD2 3.98Å; F197-H201 AromaticContact CE2-CD2 3.42Å; F197-H201 VanDerWaalsContact CE2-CD2 3.42Å; F197-H201 WeakPolarHBondContact CE2-CD2 3.39Å; F197-H201 AromaticContact CE2-NE2 3.18Å; F197-H201 WeakPolarHBondContact CE2-NE2 3.42Å; F197-H201 AromaticContact CZ-CD2 3.61Å; F197-H201 AromaticContact CZ-NE2 3.63Å; F197-H201 PolarHBondContact O-CD2 2.95Å; F197-H201 VanDerWaalsContact O-CD2 3.3Å; F197-H201 PolarHBondContact O-N 3.47Å; F197-R455 HydrophobicContact CE1-CB 3.93Å; F197-R455 HydrophobicContact CE1-CG 4.48Å; F197-R455 HydrophobicContact CZ-CB 3.78Å; F197-R455 HydrophobicContact CZ-CG 3.88Å; F197-A459 HydrophobicContact CD1-CB 4.11Å
198	G	98.5	Very high	93.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.2	-45.1	175.3	0	0	0	0	0	112.6	I194 A195 N200 H201 F202 L504	I194-G198 PolarHBondContact O-N 3.31Å; A195-G198 PolarHBondContact O-N 3.34Å; G198-N200 VanDerWaalsContact C-N 3.34Å; G198-N200 PolarHBondContact O-N 3.34Å; G198-H201 PolarHBondContact O-N 3.34Å; G198-F202 WeakPolarHBondContact O-CB 3.44Å; G198-F202 PolarHBondContact O-N 3.45Å; G198-L504 VanDerWaalsContact C-CD1 3.48Å
199	L	98.3	Very high	92.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-66	-34.9	179.2	-68.7	165.1	0	0	0	112.5	Y154 F157 A195 F197 S203 Q500 L504	Y154-L199 HydrophobicContact CD1-CB 3.99Å; Y154-L199 HydrophobicContact CD1-CD1 3.73Å; Y154-L199 HydrophobicContact CD1-CD2 4.2Å; Y154-L199 HydrophobicContact CD1-CG 4.18Å; Y154-L199 HydrophobicContact CD2-CD1 4.42Å; Y154-L199 HydrophobicContact CD2-CD2 3.98Å; Y154-L199 HydrophobicContact CE1-CD1 3.66Å; Y154-L199 HydrophobicContact CE2-CD1 4.34Å; Y154-L199 HydrophobicContact CG-CB 4.26Å; Y154-L199 HydrophobicContact CG-CD1 4.11Å; Y154-L199 HydrophobicContact CG-CD2 3.76Å; Y154-L199 HydrophobicContact CG-CG 4.26Å; F157-L199 HydrophobicContact CD1-CB 4.08Å; A195-L199 WeakPolarHBondContact O-CB 3.17Å; A195-L199 WeakPolarHBondContact O-CD1 3.46Å; A195-L199 WeakPolarHBondContact O-CG 3.15Å; A195-L199 PolarHBondContact O-N 3.21Å; F197-L199 PolarHBondContact O-N 3Å; L199-S203 VanDerWaalsContact O-CB 3.27Å; L199-S203 WeakPolarHBondContact O-CB 3.21Å; L199-S203 PolarHBondContact O-N 3.4Å; L199-S203 PolarHBondContact O-OG 2.92Å; L199-Q500 HydrophobicContact CD1-CB 4.08Å; L199-L504 HydrophobicContact CD2-CB 4.1Å; L199-L504 HydrophobicContact CD2-CD1 4.28Å; L199-L504 HydrophobicContact CG-CB 4.2Å; L199-L504 HydrophobicContact CG-CD1 4.25Å
200	N	96.7	Very high	91.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.4	-51	173	175.9	-133.5	0	0	0	111.5	F157 F160 V162 Q196 F197 G198 S203 K204	F157-N200 HydrophobicContact CD1-CB 4.28Å; F157-N200 PolarHBondContact O-ND2 2.82Å; F160-N200 PolarHBondContact O-ND2 2.75Å; V162-N200 HydrophobicContact CB-CB 4.19Å; V162-N200 HydrophobicContact CG2-CB 3.6Å; V162-N200 PolarHBondContact N-OD1 2.89Å; Q196-N200 VanDerWaalsContact O-CB 3.25Å; Q196-N200 WeakPolarHBondContact O-CB 3.43Å; Q196-N200 PolarHBondContact O-N 3.43Å; F197-N200 WeakPolarHBondContact O-CB 3.32Å; F197-N200 PolarHBondContact O-N 2.99Å; G198-N200 VanDerWaalsContact C-N 3.34Å; G198-N200 PolarHBondContact O-N 3.34Å; N200-S203 PolarHBondContact O-N 3.3Å; N200-K204 WeakPolarHBondContact O-CG 3.48Å; N200-K204 PolarHBondContact O-N 3.46Å
201	H	95.5	Very high	89.3	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.009	9%	0.089	C	C	.	.	H	α-helix	trans	-66.9	-38.9	179.8	-79.2	-69	0	0	0	112.7	E163 F197 G198 S203 K204 L205 F451 H452 R455 F456	E163-H201 IonicContact OE2-NE2 2.67Å; F197-H201 AromaticContact CD2-CD2 3.67Å; F197-H201 AromaticContact CD2-NE2 3.72Å; F197-H201 AromaticContact CE1-CD2 3.98Å; F197-H201 AromaticContact CE2-CD2 3.42Å; F197-H201 VanDerWaalsContact CE2-CD2 3.42Å; F197-H201 WeakPolarHBondContact CE2-CD2 3.39Å; F197-H201 AromaticContact CE2-NE2 3.18Å; F197-H201 WeakPolarHBondContact CE2-NE2 3.42Å; F197-H201 AromaticContact CZ-CD2 3.61Å; F197-H201 AromaticContact CZ-NE2 3.63Å; F197-H201 PolarHBondContact O-CD2 2.95Å; F197-H201 VanDerWaalsContact O-CD2 3.3Å; F197-H201 PolarHBondContact O-N 3.47Å; G198-H201 PolarHBondContact O-N 3.34Å; H201-S203 VanDerWaalsContact C-N 3.34Å; H201-S203 PolarHBondContact O-N 3.34Å; H201-K204 PolarHBondContact O-N 3.5Å; H201-L205 WeakPolarHBondContact O-CB 3.36Å; H201-L205 PolarHBondContact O-N 2.92Å; H201-F451 AromaticContact CE1-CE1 3.8Å; H201-H452 AromaticContact CE1-ND1 3.62Å; H201-H452 AromaticContact ND1-CE1 3.65Å; H201-H452 AromaticContact ND1-CG 3.81Å; H201-H452 AromaticContact ND1-ND1 2.98Å; H201-H452 PolarHBondContact ND1-ND1 2.97Å; H201-R455 HydrophobicContact CB-CB 3.92Å; H201-R455 VanDerWaalsContact CG-CB 3.46Å; H201-F456 HydrophobicContact CB-CB 4.31Å
202	F	96	Very high	86.9	Confident	8 Å²	8	20.4 Å²	20.4	4%	0.035	11%	0.107	C	C	.	.	H	α-helix	trans	-58.2	-46.8	170.5	-179.4	-97.8	0	0	0	111.8	V151 G152 G198 K204 L205 V206 F456 R507	V151-F202 WeakPolarHBondContact O-CZ 3.38Å; G152-F202 WeakPolarHBondContact O-CE1 3.47Å; G198-F202 WeakPolarHBondContact O-CB 3.44Å; G198-F202 PolarHBondContact O-N 3.45Å; F202-K204 VanDerWaalsContact C-N 3.29Å; F202-K204 PolarHBondContact O-N 2.86Å; F202-L205 WeakPolarHBondContact O-CB 3.36Å; F202-L205 PolarHBondContact O-N 3.06Å; F202-L205 VanDerWaalsContact O-N 3.12Å; F202-V206 HydrophobicContact CD1-CG2 4.01Å; F202-V206 HydrophobicContact CE1-CG2 3.51Å; F202-V206 HydrophobicContact CE2-CG2 4.2Å; F202-V206 HydrophobicContact CZ-CG2 3.63Å; F202-V206 WeakPolarHBondContact O-CG2 3.11Å; F202-V206 PolarHBondContact O-N 3.37Å; F202-F456 HydrophobicContact CB-CD2 3.6Å; F202-F456 HydrophobicContact CB-CE2 3.88Å; F202-F456 HydrophobicContact CB-CG 4.03Å; F202-F456 AromaticContact CD2-CD1 3.97Å; F202-F456 HydrophobicContact CD2-CD1 3.97Å; F202-F456 AromaticContact CD2-CD2 3.99Å; F202-F456 HydrophobicContact CD2-CD2 3.99Å; F202-F456 AromaticContact CD2-CE1 3.61Å; F202-F456 HydrophobicContact CD2-CE1 3.61Å; F202-F456 AromaticContact CD2-CE2 3.62Å; F202-F456 HydrophobicContact CD2-CE2 3.62Å; F202-F456 HydrophobicContact CD2-CG 4.13Å; F202-F456 AromaticContact CD2-CZ 3.39Å; F202-F456 HydrophobicContact CD2-CZ 3.39Å; F202-F456 HydrophobicContact CE2-CE1 4.13Å; F202-F456 AromaticContact CE2-CZ 3.94Å; F202-F456 HydrophobicContact CE2-CZ 3.94Å; F202-F456 HydrophobicContact CG-CD2 4.21Å; F202-F456 HydrophobicContact CG-CE2 4.02Å; F202-F456 HydrophobicContact CG-CZ 4.24Å; F202-R507 HydrophobicContact CD1-CB 4.35Å; F202-R507 VanDerWaalsContact CD1-CD 3.44Å; F202-R507 HydrophobicContact CD1-CG 4.11Å; F202-R507 HydrophobicContact CD2-CB 4.2Å; F202-R507 HydrophobicContact CE1-CB 4.13Å; F202-R507 VanDerWaalsContact CE1-CD 3.48Å; F202-R507 HydrophobicContact CE1-CG 3.72Å; F202-R507 HydrophobicContact CE2-CB 3.98Å; F202-R507 HydrophobicContact CE2-CG 4.44Å; F202-R507 HydrophobicContact CG-CB 4.36Å; F202-R507 HydrophobicContact CZ-CB 3.93Å; F202-R507 HydrophobicContact CZ-CG 3.9Å
203	S	92.9	Very high	84.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63	-36.8	-179.3	-62.1	0	0	0	0	112	Y154 L199 N200 H201 I207	Y154-S203 PolarHBondContact N-OG 2.82Å; L199-S203 VanDerWaalsContact O-CB 3.27Å; L199-S203 WeakPolarHBondContact O-CB 3.21Å; L199-S203 PolarHBondContact O-N 3.4Å; L199-S203 PolarHBondContact O-OG 2.92Å; N200-S203 PolarHBondContact O-N 3.3Å; H201-S203 VanDerWaalsContact C-N 3.34Å; H201-S203 PolarHBondContact O-N 3.34Å; S203-I207 WeakPolarHBondContact O-CG1 3.44Å; S203-I207 PolarHBondContact O-N 2.86Å
204	K	88.9	Confident	81.9	Confident	44 Å²	44	35.6 Å²	35.6	19%	0.191	17%	0.173	C	C	.	.	H	α-helix	trans	-69.9	-38.6	172.5	-68.3	-178.6	176.6	179.4	0	112.3	F160 N200 H201 F202 V206 I207 S208 H452	F160-K204 WeakPolarHBondContact O-CE 3.25Å; N200-K204 WeakPolarHBondContact O-CG 3.48Å; N200-K204 PolarHBondContact O-N 3.46Å; H201-K204 PolarHBondContact O-N 3.5Å; F202-K204 VanDerWaalsContact C-N 3.29Å; F202-K204 PolarHBondContact O-N 2.86Å; K204-V206 PolarHBondContact O-N 3.18Å; K204-I207 PolarHBondContact O-N 2.89Å; K204-S208 WeakPolarHBondContact O-CB 3.34Å; K204-S208 PolarHBondContact O-N 2.9Å; K204-S208 PolarHBondContact O-OG 3.27Å; K204-H452 VanDerWaalsContact CB-CD2 3.4Å; K204-H452 WeakPolarHBondContact CB-CD2 3.48Å; K204-H452 WeakPolarHBondContact CD-NE2 3.21Å
205	L	89	Confident	79.4	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-58.5	-45.9	174.5	175.4	62.5	0	0	0	111.5	H201 F202 S208 S209 K449 H452 E453 F456 Y511	H201-L205 WeakPolarHBondContact O-CB 3.36Å; H201-L205 PolarHBondContact O-N 2.92Å; F202-L205 WeakPolarHBondContact O-CB 3.36Å; F202-L205 PolarHBondContact O-N 3.06Å; F202-L205 VanDerWaalsContact O-N 3.12Å; L205-S208 WeakPolarHBondContact CA-OG 3.41Å; L205-S208 PolarHBondContact O-N 3.29Å; L205-S208 PolarHBondContact O-OG 3.02Å; L205-S209 WeakPolarHBondContact O-CB 3.41Å; L205-S209 PolarHBondContact O-N 3.34Å; L205-S209 PolarHBondContact O-OG 2.6Å; L205-K449 HydrophobicContact CD1-CB 4.44Å; L205-K449 HydrophobicContact CD1-CD 4.37Å; L205-K449 HydrophobicContact CD1-CG 3.37Å; L205-H452 HydrophobicContact CB-CB 4.17Å; L205-E453 HydrophobicContact CD1-CB 4.29Å; L205-E453 HydrophobicContact CD2-CB 4.21Å; L205-E453 HydrophobicContact CD2-CG 4.43Å; L205-F456 HydrophobicContact CD2-CD1 4.21Å; L205-Y511 HydrophobicContact CD2-CE2 4.16Å
206	V	86.6	Confident	76.6	Confident	26 Å²	26	47.2 Å²	47.2	16%	0.158	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-50	176.5	173.5	0	0	0	0	111	I153 F202 K204 S208 S209 D210	I153-V206 HydrophobicContact CG1-CB 4.21Å; I153-V206 HydrophobicContact CG1-CG1 3.94Å; F202-V206 HydrophobicContact CD1-CG2 4.01Å; F202-V206 HydrophobicContact CE1-CG2 3.51Å; F202-V206 HydrophobicContact CE2-CG2 4.2Å; F202-V206 HydrophobicContact CZ-CG2 3.63Å; F202-V206 WeakPolarHBondContact O-CG2 3.11Å; F202-V206 PolarHBondContact O-N 3.37Å; K204-V206 PolarHBondContact O-N 3.18Å; V206-S208 VanDerWaalsContact C-N 3.33Å; V206-S208 PolarHBondContact O-N 2.99Å; V206-S209 WeakPolarHBondContact O-CB 3.3Å; V206-S209 PolarHBondContact O-N 3.28Å; V206-D210 PolarHBondContact O-N 2.89Å
207	I	80	Confident	73.6	Confident	41 Å²	41	50.3 Å²	50.3	21%	0.21	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-43.3	178.2	-69.4	-178.8	0	0	0	111.8	I153 H158 S203 K204 S209 D210 R211	I153-I207 HydrophobicContact CD1-CD1 3.99Å; I153-I207 HydrophobicContact CD1-CG1 3.65Å; I153-I207 HydrophobicContact CG1-CG1 4.44Å; H158-I207 HydrophobicContact CB-CD1 3.34Å; H158-I207 HydrophobicContact CB-CG1 4.41Å; H158-I207 VanDerWaalsContact CD2-CD1 3.43Å; H158-I207 WeakPolarHBondContact CD2-CD1 3.36Å; H158-I207 VanDerWaalsContact CG-CD1 3.45Å; S203-I207 WeakPolarHBondContact O-CG1 3.44Å; S203-I207 PolarHBondContact O-N 2.86Å; K204-I207 PolarHBondContact O-N 2.89Å; I207-S209 PolarHBondContact O-N 3.34Å; I207-D210 PolarHBondContact O-N 3.36Å; I207-R211 HydrophobicContact CG2-CG 4.48Å; I207-R211 WeakPolarHBondContact O-CG 3.49Å; I207-R211 PolarHBondContact O-N 2.85Å; I207-R211 VanDerWaalsContact O-N 3.11Å
208	S	72.9	Confident	70.7	Confident	10 Å²	10	57.7 Å²	57.7	7%	0.07	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-33.8	177.4	73.6	0	0	0	0	111.8	K204 L205 V206	K204-S208 WeakPolarHBondContact O-CB 3.34Å; K204-S208 PolarHBondContact O-N 2.9Å; K204-S208 PolarHBondContact O-OG 3.27Å; L205-S208 WeakPolarHBondContact CA-OG 3.41Å; L205-S208 PolarHBondContact O-N 3.29Å; L205-S208 PolarHBondContact O-OG 3.02Å; V206-S208 VanDerWaalsContact C-N 3.33Å; V206-S208 PolarHBondContact O-N 2.99Å
209	S	70.9	Confident	67.8	Low	34 Å²	34	64.6 Å²	64.6	24%	0.238	32%	0.319	C	S	.	.	H	α-helix	trans	-79	-39.1	-179.5	-58.2	0	0	0	0	112.9	L205 V206 I207 A212	L205-S209 WeakPolarHBondContact O-CB 3.41Å; L205-S209 PolarHBondContact O-N 3.34Å; L205-S209 PolarHBondContact O-OG 2.6Å; V206-S209 WeakPolarHBondContact O-CB 3.3Å; V206-S209 PolarHBondContact O-N 3.28Å; I207-S209 PolarHBondContact O-N 3.34Å; S209-A212 WeakPolarHBondContact O-CB 3.2Å; S209-A212 PolarHBondContact O-N 3.45Å
210	D	64.3	Low	64.8	Low	63 Å²	63	71 Å²	71	34%	0.337	36%	0.358	S	S	.	.	H	α-helix	trans	-72.1	-37.3	179.2	-74.1	-26.8	0	0	0	112.1	V206 I207 A212 K213 F214	V206-D210 PolarHBondContact O-N 2.89Å; I207-D210 PolarHBondContact O-N 3.36Å; D210-A212 PolarHBondContact O-N 2.86Å; D210-K213 WeakPolarHBondContact O-CB 3.47Å; D210-K213 PolarHBondContact O-N 2.72Å; D210-K213 IonicContact OD1-NZ 2.7Å; D210-F214 WeakPolarHBondContact O-CD2 3.14Å; D210-F214 PolarHBondContact O-N 3Å
211	R	55.5	Low	61.7	Low	125 Å²	125	78 Å²	78	47%	0.472	40%	0.395	S	S	.	.	H	α-helix	trans	-56.2	-35.3	171.9	-72.1	177.9	177.5	-177	-1.8	112	I207 K213 F214 E215 K445	I207-R211 HydrophobicContact CG2-CG 4.48Å; I207-R211 WeakPolarHBondContact O-CG 3.49Å; I207-R211 PolarHBondContact O-N 2.85Å; I207-R211 VanDerWaalsContact O-N 3.11Å; R211-K213 VanDerWaalsContact C-N 3.27Å; R211-K213 PolarHBondContact O-N 3.32Å; R211-F214 PolarHBondContact O-N 2.93Å; R211-E215 WeakPolarHBondContact O-CG 3.45Å; R211-E215 PolarHBondContact O-N 3.18Å; R211-K445 VanDerWaalsContact CB-NZ 3.32Å
212	A	48.8	Very low	58.7	Low	47 Å²	47	83.3 Å²	83.3	39%	0.388	43%	0.433	S	S	.	.	H	α-helix	trans	-69.6	-20	176.7	0	0	0	0	0	113.8	S209 D210	S209-A212 WeakPolarHBondContact O-CB 3.2Å; S209-A212 PolarHBondContact O-N 3.45Å; D210-A212 PolarHBondContact O-N 2.86Å
213	K	47.6	Very low	55.8	Low	152 Å²	152	90.8 Å²	90.8	66%	0.661	47%	0.472	S	S	*	.	H	α-helix	trans	-80	-37.6	175.2	-68.9	178	-178.7	165.2	0	112.4	D210 R211	D210-K213 WeakPolarHBondContact O-CB 3.47Å; D210-K213 PolarHBondContact O-N 2.72Å; D210-K213 IonicContact OD1-NZ 2.7Å; R211-K213 VanDerWaalsContact C-N 3.27Å; R211-K213 PolarHBondContact O-N 3.32Å
214	F	43.3	Very low	53.2	Low	173 Å²	173	97 Å²	97	76%	0.759	51%	0.505	S	S	*	.	H	α-helix	trans	-76.2	-23.6	-178.6	-74.3	-79	0	0	0	113.7	D210 R211 K216	D210-F214 WeakPolarHBondContact O-CD2 3.14Å; D210-F214 PolarHBondContact O-N 3Å; R211-F214 PolarHBondContact O-N 2.93Å; F214-K216 PolarHBondContact O-N 3.18Å
215	E	46	Very low	51.1	Low	60 Å²	60	100.2 Å²	100.2	28%	0.28	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	5.2	-175.5	-69.7	162.2	-176.7	0	0	114.1	R211 S217 V441 K445	R211-E215 WeakPolarHBondContact O-CG 3.45Å; R211-E215 PolarHBondContact O-N 3.18Å; E215-S217 PolarHBondContact O-N 3.26Å; E215-V441 WeakPolarHBondContact OE2-CB 3.5Å; E215-V441 VanDerWaalsContact OE2-CG1 3.25Å; E215-V441 WeakPolarHBondContact OE2-CG1 3.18Å; E215-K445 IonicContact OE1-NZ 3.69Å; E215-K445 PolarHBondContact OE1-NZ 3.34Å; E215-K445 IonicContact OE2-NZ 3.91Å; E215-K445 PolarHBondContact OE2-NZ 2.97Å
216	K	40.4	Very low	49.1	Very low	185 Å²	185	107 Å²	107	80%	0.804	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-0.5	174.7	-89.3	-171.7	177.1	-175	0	114.3	F214	F214-K216 PolarHBondContact O-N 3.18Å
217	S	35.7	Very low	47.4	Very low	83 Å²	83	107.6 Å²	107.6	58%	0.58	56%	0.556	S	S	*	*	S	Bend	trans	-118.3	130	170.9	60.4	0	0	0	0	110.1	E215	E215-S217 PolarHBondContact O-N 3.26Å
218	E	37.6	Very low	46.5	Very low	154 Å²	154	107.2 Å²	107.2	72%	0.72	55%	0.554	S	S	*	*	S	Bend	trans	95.3	101.4	166.2	-55.5	-175.5	166.5	0	0	118.9	P439	E218-P439 WeakPolarHBondContact O-CB 3.46Å
219	N	37	Very low	46.5	Very low	145 Å²	145	108.5 Å²	108.5	78%	0.775	56%	0.559	S	S	*	*			trans	54.3	124.6	138.3	-68	-21.2	0	0	0	123
220	V	35.4	Very low	46.9	Very low	135 Å²	135	107.2 Å²	107.2	82%	0.818	55%	0.549	S	S	*	.			trans	-79.9	117.2	178.5	176.1	0	0	0	0	110.7
221	L	31.4	Very low	47.8	Very low	147 Å²	147	106.3 Å²	106.3	77%	0.77	54%	0.544	S	S	*	.			trans	-138.9	124.8	157.3	-79.1	178	0	0	0	111.5	T440	L221-T440 VanDerWaalsContact O-CG2 3.3Å; L221-T440 WeakPolarHBondContact O-CG2 3.47Å
222	S	32	Very low	49.1	Very low	114 Å²	114	100.5 Å²	100.5	80%	0.797	52%	0.523	S	S	*	.			trans	-69.4	120.8	-172.2	54.9	0	0	0	0	113.5
223	L	34.7	Very low	50.6	Low	164 Å²	164	98.9 Å²	98.9	86%	0.859	51%	0.507	S	S	*	.			trans	-128.6	137.4	147.5	-94.3	131.4	0	0	0	107.2	N225	L223-N225 PolarHBondContact O-N 2.8Å
224	D	39.9	Very low	52	Low	132 Å²	132	94.6 Å²	94.6	71%	0.706	49%	0.494	S	S	*	.			trans	-44.3	96.9	-165.3	-135.7	-11.9	0	0	0	112.4	K226	D224-K226 PolarHBondContact O-N 2.69Å; D224-K226 IonicContact OD2-NZ 3.61Å
225	N	43.5	Very low	53.5	Low	111 Å²	111	90.8 Å²	90.8	59%	0.594	49%	0.486	S	S	*	.			trans	-81.2	39.2	-169.4	-138.9	-5.2	0	0	0	111.1	L223 N227	L223-N225 PolarHBondContact O-N 2.8Å; N225-N227 PolarHBondContact O-N 3.45Å
226	K	46.7	Very low	54.9	Low	146 Å²	146	90.1 Å²	90.1	64%	0.635	49%	0.488	S	S	*	.			trans	-75.1	78.1	-177.3	-73.6	-178.2	-175	165.9	0	109.6	D224	D224-K226 PolarHBondContact O-N 2.69Å; D224-K226 IonicContact OD2-NZ 3.61Å
227	N	52	Low	56.6	Low	39 Å²	39	88 Å²	88	21%	0.209	49%	0.486	C	S	.	.			trans	82.1	71.5	149.6	-42.6	-67.6	0	0	0	116.2	N225 E229 N238 L276 W279	N225-N227 PolarHBondContact O-N 3.45Å; N227-E229 PolarHBondContact O-N 3.19Å; N227-N238 PolarHBondContact ND2-ND2 2.81Å; N227-N238 VanDerWaalsContact ND2-ND2 3.19Å; N227-N238 PolarHBondContact OD1-ND2 2.89Å; N227-L276 HydrophobicContact CB-CD1 3.43Å; N227-L276 VanDerWaalsContact CB-CD1 3.43Å; N227-L276 WeakPolarHBondContact ND2-CD1 3.37Å; N227-L276 WeakPolarHBondContact ND2-CD2 3.31Å; N227-W279 HydrophobicContact CB-CH2 4.12Å
228	M	61.9	Low	58.6	Low	33 Å²	33	85.9 Å²	85.9	16%	0.163	47%	0.468	C	S	.	.	S	Bend	trans	-63.3	-24.4	162.1	-147.4	-162.4	75	0	0	112.3	K430 T432 I444	M228-K430 WeakPolarHBondContact O-CB 3.47Å; M228-K430 PolarHBondContact O-N 3.2Å; M228-T432 HydrophobicContact SD-CG2 4.44Å; M228-I444 HydrophobicContact CE-CB 3.69Å; M228-I444 HydrophobicContact CE-CG1 4.13Å; M228-I444 HydrophobicContact CE-CG2 3.41Å; M228-I444 VanDerWaalsContact CE-CG2 3.41Å; M228-I444 HydrophobicContact SD-CB 3.53Å; M228-I444 VanDerWaalsContact SD-CB 3.53Å; M228-I444 HydrophobicContact SD-CD1 3.69Å; M228-I444 HydrophobicContact SD-CG1 3.38Å; M228-I444 WeakPolarHBondContact SD-CG1 3.42Å; M228-I444 HydrophobicContact SD-CG2 3.23Å; M228-I444 WeakPolarHBondContact SD-CG2 3.37Å
229	E	72.3	Confident	60.6	Low	37 Å²	37	79 Å²	79	17%	0.173	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	144.9	-179.9	-57.3	-177.2	173.2	0	0	109.2	N227 K445 S446 A447	N227-E229 PolarHBondContact O-N 3.19Å; E229-K445 WeakPolarHBondContact OE1-CA 3.47Å; E229-K445 PolarHBondContact OE1-N 3.41Å; E229-S446 VanDerWaalsContact CD-N 3.31Å; E229-S446 PolarHBondContact OE1-N 3.28Å; E229-S446 WeakPolarHBondContact OE2-CA 3.14Å; E229-S446 VanDerWaalsContact OE2-CB 3.25Å; E229-S446 WeakPolarHBondContact OE2-CB 3.44Å; E229-S446 PolarHBondContact OE2-N 2.88Å; E229-A447 HydrophobicContact CB-CB 4.22Å; E229-A447 HydrophobicContact CG-CB 3.88Å; E229-A447 PolarHBondContact OE1-N 3.16Å; E229-A447 VanDerWaalsContact OE1-N 3.08Å; E229-A447 PolarHBondContact OE2-N 3.48Å
230	L	78.1	Confident	62.8	Low	6 Å²	6	75.1 Å²	75.1	3%	0.031	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	112.3	-178.4	-176.5	65.5	0	0	0	110.1	L232 N238 I239 P274 L276 W279 Y427 L428	L230-L232 HydrophobicContact CD2-CD2 3.56Å; L230-L232 HydrophobicContact CG-CD2 3.76Å; L230-L232 PolarHBondContact O-N 3.49Å; L230-N238 HydrophobicContact CD1-CB 3.88Å; L230-I239 HydrophobicContact CD1-CD1 3.67Å; L230-I239 HydrophobicContact CD1-CG1 3.81Å; L230-I239 HydrophobicContact CD2-CD1 4.29Å; L230-I239 HydrophobicContact CD2-CG1 3.83Å; L230-I239 HydrophobicContact CG-CD1 3.92Å; L230-I239 HydrophobicContact CG-CG1 4.01Å; L230-P274 HydrophobicContact CD2-CB 4.11Å; L230-L276 HydrophobicContact CD2-CD1 4.42Å; L230-W279 HydrophobicContact CB-CH2 3.45Å; L230-W279 VanDerWaalsContact CB-CH2 3.45Å; L230-W279 HydrophobicContact CB-CZ2 3.84Å; L230-W279 HydrophobicContact CB-CZ3 4.06Å; L230-W279 HydrophobicContact CD2-CH2 4.15Å; L230-W279 HydrophobicContact CD2-CZ2 3.64Å; L230-W279 HydrophobicContact CG-CH2 4.4Å; L230-W279 HydrophobicContact CG-CZ2 4.37Å; L230-Y427 WeakPolarHBondContact O-CA 3.22Å; L230-L428 HydrophobicContact CB-CB 4.38Å; L230-L428 PolarHBondContact N-O 2.81Å; L230-L428 PolarHBondContact O-N 3.4Å
231	D	83.1	Confident	65	Low	45 Å²	45	70.5 Å²	70.5	24%	0.241	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	112	169.2	-167.2	-26.8	0	0	0	108.9	I233 V234 I239 Y427	D231-I233 VanDerWaalsContact C-N 3.31Å; D231-I233 WeakPolarHBondContact OD1-CB 3.47Å; D231-I233 PolarHBondContact OD1-N 2.8Å; D231-V234 HydrophobicContact CB-CG2 4.35Å; D231-I239 WeakPolarHBondContact O-CD1 3.48Å; D231-Y427 HydrophobicContact CB-CD1 3.87Å; D231-Y427 HydrophobicContact CB-CE1 3.47Å; D231-Y427 VanDerWaalsContact CB-CE1 3.47Å; D231-Y427 WeakPolarHBondContact OD2-CE1 3.17Å; D231-Y427 PolarHBondContact OD2-OH 3.17Å
232	L	84	Confident	67.3	Low	2 Å²	2	70.8 Å²	70.8	1%	0.01	38%	0.375	C	S	.	.	S	Bend	trans	-84.7	-5.4	-177.8	-59.8	177.5	0	0	0	112.9	L230 I239 H241 I272 I409 L426 L428	L230-L232 HydrophobicContact CD2-CD2 3.56Å; L230-L232 HydrophobicContact CG-CD2 3.76Å; L230-L232 PolarHBondContact O-N 3.49Å; L232-I239 HydrophobicContact CD2-CD1 3.82Å; L232-I239 HydrophobicContact CD2-CG1 3.82Å; L232-I239 HydrophobicContact CD2-CG2 4.42Å; L232-H241 PolarHBondContact O-CE1 2.93Å; L232-H241 VanDerWaalsContact O-CE1 3.22Å; L232-I272 HydrophobicContact CB-CD1 4.28Å; L232-I272 HydrophobicContact CD2-CG2 4.11Å; L232-I409 HydrophobicContact CD1-CD1 3.43Å; L232-I409 VanDerWaalsContact CD1-CD1 3.43Å; L232-L426 HydrophobicContact CB-CB 4.18Å; L232-L426 HydrophobicContact CB-CD2 3.78Å; L232-L426 HydrophobicContact CB-CG 3.75Å; L232-L426 WeakPolarHBondContact CB-O 3.23Å; L232-L426 HydrophobicContact CD1-CD1 4.49Å; L232-L426 HydrophobicContact CD1-CD2 4.06Å; L232-L426 HydrophobicContact CD1-CG 3.82Å; L232-L426 HydrophobicContact CG-CG 4.34Å; L232-L426 PolarHBondContact N-O 3.03Å; L232-L428 HydrophobicContact CD1-CD1 4.09Å; L232-L428 HydrophobicContact CD1-CG 3.85Å; L232-L428 HydrophobicContact CD2-CD1 4.35Å; L232-L428 HydrophobicContact CG-CG 4.44Å
233	I	80	Confident	69.1	Low	13 Å²	13	68.9 Å²	68.9	7%	0.067	35%	0.35	C	S	.	.	S	Bend	trans	-81.7	-30.9	171.8	-62.9	-174.8	0	0	0	110.6	D231 P235 D254 I423 E424 L426	D231-I233 VanDerWaalsContact C-N 3.31Å; D231-I233 WeakPolarHBondContact OD1-CB 3.47Å; D231-I233 PolarHBondContact OD1-N 2.8Å; I233-P235 WeakPolarHBondContact O-CD 3.4Å; I233-D254 WeakPolarHBondContact CG2-O 3.26Å; I233-I423 HydrophobicContact CD1-CG2 4.41Å; I233-E424 VanDerWaalsContact CD1-C 3.47Å; I233-E424 VanDerWaalsContact CD1-O 3.31Å; I233-E424 WeakPolarHBondContact CD1-O 3.26Å; I233-L426 HydrophobicContact CD1-CB 4.4Å; I233-L426 HydrophobicContact CG1-CB 3.88Å
234	V	76.7	Confident	70.4	Confident	63 Å²	63	63.8 Å²	63.8	38%	0.382	33%	0.326	S	S	.	.	S	Bend	trans	-88.8	115.8	-179.1	-176.6	0	0	0	0	109.9	D231 S236	D231-V234 HydrophobicContact CB-CG2 4.35Å; V234-S236 PolarHBondContact O-N 2.87Å
235	P	74.7	Confident	71.2	Confident	92 Å²	92	60.5 Å²	60.5	60%	0.597	31%	0.308	S	S	*	.			trans	-57.5	132	173.5	-23	34.3	0	0	0	110.6	I233	I233-P235 WeakPolarHBondContact O-CD 3.4Å
236	S	75.8	Confident	71.5	Confident	46 Å²	46	66.1 Å²	66.1	32%	0.322	32%	0.321	S	S	.	.			trans	-150.8	166.7	176.2	67.8	0	0	0	0	110.3	V234 N238 I239	V234-S236 PolarHBondContact O-N 2.87Å; S236-N238 PolarHBondContact O-N 3.14Å; S236-N238 PolarHBondContact OG-N 3.29Å; S236-I239 PolarHBondContact O-N 3.09Å; S236-I239 VanDerWaalsContact O-O 3.04Å
237	D	76.2	Confident	71.6	Confident	141 Å²	141	66.1 Å²	66.1	75%	0.754	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-19	177	-68.2	-33.4	0	0	0	113.5	I239 K275	D237-I239 VanDerWaalsContact C-N 3.33Å; D237-K275 WeakPolarHBondContact O-CD 3.32Å; D237-K275 WeakPolarHBondContact O-CE 3.36Å; D237-K275 PolarHBondContact O-NZ 2.86Å
238	N	78.6	Confident	71.3	Confident	39 Å²	39	68.9 Å²	68.9	21%	0.209	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-6.8	180	-63.6	-46.5	0	0	0	113.7	N227 L230 S236 K275 L276	N227-N238 PolarHBondContact ND2-ND2 2.81Å; N227-N238 VanDerWaalsContact ND2-ND2 3.19Å; N227-N238 PolarHBondContact OD1-ND2 2.89Å; L230-N238 HydrophobicContact CD1-CB 3.88Å; S236-N238 PolarHBondContact O-N 3.14Å; S236-N238 PolarHBondContact OG-N 3.29Å; N238-K275 WeakPolarHBondContact O-CB 3.19Å; N238-K275 PolarHBondContact O-N 2.83Å; N238-L276 HydrophobicContact CB-CD1 3.66Å; N238-L276 HydrophobicContact CB-CG 4.19Å
239	I	79.2	Confident	70.8	Confident	10 Å²	10	69.2 Å²	69.2	5%	0.051	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.5	-173.4	-58.2	156.9	0	0	0	109.6	L230 D231 L232 S236 D237 H241 I272	L230-I239 HydrophobicContact CD1-CD1 3.67Å; L230-I239 HydrophobicContact CD1-CG1 3.81Å; L230-I239 HydrophobicContact CD2-CD1 4.29Å; L230-I239 HydrophobicContact CD2-CG1 3.83Å; L230-I239 HydrophobicContact CG-CD1 3.92Å; L230-I239 HydrophobicContact CG-CG1 4.01Å; D231-I239 WeakPolarHBondContact O-CD1 3.48Å; L232-I239 HydrophobicContact CD2-CD1 3.82Å; L232-I239 HydrophobicContact CD2-CG1 3.82Å; L232-I239 HydrophobicContact CD2-CG2 4.42Å; S236-I239 PolarHBondContact O-N 3.09Å; S236-I239 VanDerWaalsContact O-O 3.04Å; D237-I239 VanDerWaalsContact C-N 3.33Å; I239-H241 WeakPolarHBondContact CG2-NE2 3.49Å; I239-I272 HydrophobicContact CG2-CG2 3.58Å
240	I	82.7	Confident	70.2	Confident	63 Å²	63	72.7 Å²	72.7	32%	0.323	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120.6	166.8	-57.4	169.4	0	0	0	108.1	R242 I273 K275	I240-R242 HydrophobicContact CG2-CG 4.2Å; I240-I273 HydrophobicContact CB-CB 4.25Å; I240-I273 PolarHBondContact N-O 3.17Å; I240-I273 PolarHBondContact O-N 3.24Å; I240-K275 HydrophobicContact CD1-CG 4.49Å; I240-K275 HydrophobicContact CG1-CG 4.5Å
241	H	81.1	Confident	69.4	Low	38 Å²	38	77.5 Å²	77.5	18%	0.176	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.6	168	-58.3	-98.6	0	0	0	109.7	L232 I239 W243	L232-H241 PolarHBondContact O-CE1 2.93Å; L232-H241 VanDerWaalsContact O-CE1 3.22Å; I239-H241 WeakPolarHBondContact CG2-NE2 3.49Å; H241-W243 HydrophobicContact CB-CD2 4.36Å; H241-W243 VanDerWaalsContact CB-CE2 3.45Å; H241-W243 HydrophobicContact CB-CH2 4.39Å; H241-W243 HydrophobicContact CB-CZ2 3.47Å; H241-W243 VanDerWaalsContact CB-CZ2 3.47Å; H241-W243 AromaticContact CG-CZ2 3.63Å; H241-W243 AromaticContact ND1-CH2 3.78Å; H241-W243 AromaticContact ND1-CZ2 3.47Å; H241-W243 WeakPolarHBondContact ND1-CZ2 3.46Å
242	R	80.7	Confident	68.7	Low	153 Å²	153	83.1 Å²	83.1	58%	0.577	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	118	169.2	-64.8	-174.3	180	170.6	0.8	108.1	I240 S271	I240-R242 HydrophobicContact CG2-CG 4.2Å; R242-S271 PolarHBondContact N-O 3.28Å; R242-S271 WeakPolarHBondContact O-CB 3.14Å; R242-S271 PolarHBondContact O-N 2.9Å
243	W	69.1	Low	68.2	Low	74 Å²	74	88.7 Å²	88.7	28%	0.28	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	147.5	-176.9	-48.2	105.8	0	0	0	109.4	H241 D245 I249 L256 L270	H241-W243 HydrophobicContact CB-CD2 4.36Å; H241-W243 VanDerWaalsContact CB-CE2 3.45Å; H241-W243 HydrophobicContact CB-CH2 4.39Å; H241-W243 HydrophobicContact CB-CZ2 3.47Å; H241-W243 VanDerWaalsContact CB-CZ2 3.47Å; H241-W243 AromaticContact CG-CZ2 3.63Å; H241-W243 AromaticContact ND1-CH2 3.78Å; H241-W243 AromaticContact ND1-CZ2 3.47Å; H241-W243 WeakPolarHBondContact ND1-CZ2 3.46Å; W243-D245 VanDerWaalsContact C-N 3.29Å; W243-I249 HydrophobicContact CD2-CD1 4.01Å; W243-I249 HydrophobicContact CE3-CB 4.46Å; W243-I249 HydrophobicContact CE3-CD1 3.1Å; W243-I249 HydrophobicContact CE3-CG1 4.31Å; W243-I249 HydrophobicContact CH2-CD1 4.43Å; W243-I249 HydrophobicContact CH2-CG2 4.01Å; W243-I249 HydrophobicContact CZ3-CB 4.3Å; W243-I249 HydrophobicContact CZ3-CD1 3.33Å; W243-I249 HydrophobicContact CZ3-CG1 4.36Å; W243-I249 HydrophobicContact CZ3-CG2 3.86Å; W243-L256 HydrophobicContact CH2-CD1 3.75Å; W243-L256 HydrophobicContact CH2-CD2 3.88Å; W243-L256 HydrophobicContact CH2-CG 4.37Å; W243-L256 HydrophobicContact CZ3-CD1 4.36Å; W243-L256 HydrophobicContact CZ3-CD2 4.06Å; W243-L270 HydrophobicContact CD2-CD1 4.12Å; W243-L270 HydrophobicContact CE3-CB 4.14Å; W243-L270 HydrophobicContact CE3-CD1 3.37Å; W243-L270 HydrophobicContact CE3-CG 4.23Å; W243-L270 HydrophobicContact CH2-CD1 3.5Å; W243-L270 HydrophobicContact CH2-CD2 4.18Å; W243-L270 HydrophobicContact CH2-CG 4.37Å; W243-L270 HydrophobicContact CZ2-CD1 4.2Å; W243-L270 HydrophobicContact CZ3-CB 3.91Å; W243-L270 HydrophobicContact CZ3-CD1 3.05Å; W243-L270 HydrophobicContact CZ3-CD2 3.78Å; W243-L270 HydrophobicContact CZ3-CG 3.72Å
244	T	61.8	Low	68.1	Low	57 Å²	57	92.9 Å²	92.9	35%	0.35	44%	0.443	S	S	.	.	S	Bend	trans	-67.6	-34	172.2	41.4	0	0	0	0	111.7	K262 N264 Q268	T244-K262 PolarHBondContact OG1-O 2.89Å; T244-N264 HydrophobicContact CG2-CB 3.72Å; T244-Q268 VanDerWaalsContact CG2-O 3.23Å; T244-Q268 WeakPolarHBondContact CG2-O 3.41Å
245	D	56.9	Low	68.5	Low	62 Å²	62	92.9 Å²	92.9	33%	0.332	44%	0.438	S	S	.	.			trans	-144.3	127.9	174.4	-179.6	3.9	0	0	0	108.9	W243 E247 K262	W243-D245 VanDerWaalsContact C-N 3.29Å; D245-E247 VanDerWaalsContact C-N 3.33Å; D245-E247 PolarHBondContact OD1-N 3.31Å; D245-K262 IonicContact OD2-NZ 2.75Å; D245-K262 PolarHBondContact OD2-NZ 2.72Å
246	R	50.1	Low	69.1	Low	230 Å²	230	89.3 Å²	89.3	87%	0.868	41%	0.413	S	S	*	.	S	Bend	trans	-75.9	-18.2	-175.5	-77.6	-172.6	179.9	-173.1	0.8	112.9
247	E	48.2	Very low	69.7	Low	146 Å²	146	89 Å²	89	68%	0.682	41%	0.408	S	S	*	.	S	Bend	trans	-79.3	-18.7	-165.2	-76.3	-159.9	150.6	0	0	116	D245	D245-E247 VanDerWaalsContact C-N 3.33Å; D245-E247 PolarHBondContact OD1-N 3.31Å
248	F	45	Very low	70.2	Confident	96 Å²	96	82.3 Å²	82.3	42%	0.421	37%	0.372	S	S	.	.			trans	-151.6	60.4	-174	-64.8	-103.5	0	0	0	114.1	H250 K262	F248-H250 AromaticContact CD1-NE2 3.31Å; F248-H250 VanDerWaalsContact CD1-NE2 3.31Å; F248-H250 WeakPolarHBondContact CD1-NE2 3.05Å; F248-K262 HydrophobicContact CB-CD 3.71Å
249	I	52.2	Low	70.3	Confident	40 Å²	40	81.9 Å²	81.9	21%	0.205	37%	0.372	C	S	.	.			trans	-112.1	97.3	150.5	-72.3	169.4	0	0	0	105.6	W243 K251 L256 I257 L258	W243-I249 HydrophobicContact CD2-CD1 4.01Å; W243-I249 HydrophobicContact CE3-CB 4.46Å; W243-I249 HydrophobicContact CE3-CD1 3.1Å; W243-I249 HydrophobicContact CE3-CG1 4.31Å; W243-I249 HydrophobicContact CH2-CD1 4.43Å; W243-I249 HydrophobicContact CH2-CG2 4.01Å; W243-I249 HydrophobicContact CZ3-CB 4.3Å; W243-I249 HydrophobicContact CZ3-CD1 3.33Å; W243-I249 HydrophobicContact CZ3-CG1 4.36Å; W243-I249 HydrophobicContact CZ3-CG2 3.86Å; I249-K251 PolarHBondContact O-N 2.82Å; I249-L256 HydrophobicContact CG2-CD1 3.22Å; I249-L256 HydrophobicContact CG2-CG 3.71Å; I249-I257 WeakPolarHBondContact CG2-O 3.31Å; I249-L258 HydrophobicContact CD1-CD2 3.99Å
250	H	59.1	Low	70.3	Confident	110 Å²	110	82 Å²	82	51%	0.509	37%	0.373	S	S	.	.			trans	-78.9	119.8	178.7	-63.9	-66.1	0	0	0	108.5	F248 W252	F248-H250 AromaticContact CD1-NE2 3.31Å; F248-H250 VanDerWaalsContact CD1-NE2 3.31Å; F248-H250 WeakPolarHBondContact CD1-NE2 3.05Å; H250-W252 PolarHBondContact O-N 2.79Å
251	K	62.2	Low	69.9	Low	108 Å²	108	82.7 Å²	82.7	47%	0.47	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	111.1	155.5	-175.9	-174.1	178.8	-168.6	0	106.2	I249 D254 K255	I249-K251 PolarHBondContact O-N 2.82Å; K251-D254 WeakPolarHBondContact CE-OD1 3.36Å; K251-D254 IonicContact NZ-OD1 3.87Å; K251-D254 PolarHBondContact NZ-OD1 2.81Å; K251-K255 WeakPolarHBondContact CA-O 3.21Å
252	W	67.5	Low	69.3	Low	162 Å²	162	83.6 Å²	83.6	61%	0.614	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	118.5	175.4	-173.4	59.9	0	0	0	108.9	H250 D254 K255 I257	H250-W252 PolarHBondContact O-N 2.79Å; W252-D254 VanDerWaalsContact C-N 3.33Å; W252-D254 PolarHBondContact O-N 2.91Å; W252-K255 PolarHBondContact N-O 2.82Å; W252-K255 VanDerWaalsContact N-O 3.1Å; W252-K255 WeakPolarHBondContact O-CB 3.34Å; W252-K255 PolarHBondContact O-N 3.45Å; W252-I257 HydrophobicContact CB-CD1 4.22Å
253	N	74.9	Confident	69.1	Low	119 Å²	119	78 Å²	78	64%	0.636	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	50.7	-178.2	-65.7	-18.9	0	0	0	113.6	K255	N253-K255 PolarHBondContact O-N 3.24Å
254	D	77.1	Confident	69.7	Low	101 Å²	101	76.8 Å²	76.8	54%	0.54	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	23.8	-178.1	-58	-47.1	0	0	0	115.6	I233 K251 W252	I233-D254 WeakPolarHBondContact CG2-O 3.26Å; K251-D254 WeakPolarHBondContact CE-OD1 3.36Å; K251-D254 IonicContact NZ-OD1 3.87Å; K251-D254 PolarHBondContact NZ-OD1 2.81Å; W252-D254 VanDerWaalsContact C-N 3.33Å; W252-D254 PolarHBondContact O-N 2.91Å
255	K	85.9	Confident	70.6	Confident	63 Å²	63	79.5 Å²	79.5	27%	0.274	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	153.9	172.1	-52.3	-178	-176.1	-170.5	0	110.8	K251 W252 N253 T422 I423 E424	K251-K255 WeakPolarHBondContact CA-O 3.21Å; W252-K255 PolarHBondContact N-O 2.82Å; W252-K255 VanDerWaalsContact N-O 3.1Å; W252-K255 WeakPolarHBondContact O-CB 3.34Å; W252-K255 PolarHBondContact O-N 3.45Å; N253-K255 PolarHBondContact O-N 3.24Å; K255-T422 HydrophobicContact CB-CG2 3.9Å; K255-T422 HydrophobicContact CD-CG2 3.94Å; K255-T422 HydrophobicContact CG-CG2 4.47Å; K255-I423 WeakPolarHBondContact CA-O 3.48Å; K255-E424 HydrophobicContact CD-CG 4.12Å; K255-E424 WeakPolarHBondContact CE-OE1 3.27Å; K255-E424 IonicContact NZ-OE1 3.71Å; K255-E424 PolarHBondContact NZ-OE1 3.33Å
256	L	87.6	Confident	71.8	Confident	17 Å²	17	85.5 Å²	85.5	9%	0.089	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.8	173.6	-162.7	73.4	0	0	0	110.3	W243 I249 L258 L270 T422 I423	W243-L256 HydrophobicContact CH2-CD1 3.75Å; W243-L256 HydrophobicContact CH2-CD2 3.88Å; W243-L256 HydrophobicContact CH2-CG 4.37Å; W243-L256 HydrophobicContact CZ3-CD1 4.36Å; W243-L256 HydrophobicContact CZ3-CD2 4.06Å; I249-L256 HydrophobicContact CG2-CD1 3.22Å; I249-L256 HydrophobicContact CG2-CG 3.71Å; L256-L258 HydrophobicContact CD2-CD2 3.82Å; L256-L258 HydrophobicContact CG-CD2 4.13Å; L256-L270 HydrophobicContact CD2-CD2 3.38Å; L256-T422 CarbonylContact O-C 3.57Å; L256-T422 WeakPolarHBondContact O-CA 3.27Å; L256-I423 HydrophobicContact CB-CB 4.14Å; L256-I423 HydrophobicContact CD2-CD1 4.27Å; L256-I423 PolarHBondContact N-O 2.76Å; L256-I423 PolarHBondContact O-N 2.91Å
257	I	87.7	Confident	73.6	Confident	39 Å²	39	75.2 Å²	75.2	20%	0.2	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.1	175.6	-57.4	173.3	0	0	0	108.3	I249 W252 D420	I249-I257 WeakPolarHBondContact CG2-O 3.31Å; W252-I257 HydrophobicContact CB-CD1 4.22Å; I257-D420 HydrophobicContact CG2-CB 3.97Å
258	L	86.8	Confident	75.4	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	100.6	177.7	-56.1	-178.6	0	0	0	109.4	I249 L256 A269 L270 F411 I413 I421 I423	I249-L258 HydrophobicContact CD1-CD2 3.99Å; L256-L258 HydrophobicContact CD2-CD2 3.82Å; L256-L258 HydrophobicContact CG-CD2 4.13Å; L258-A269 HydrophobicContact CB-CB 4.31Å; L258-A269 HydrophobicContact CD1-CB 4.31Å; L258-A269 HydrophobicContact CD2-CB 4.49Å; L258-L270 HydrophobicContact CD2-CB 4.03Å; L258-L270 HydrophobicContact CD2-CD2 4.15Å; L258-F411 HydrophobicContact CD1-CB 4.02Å; L258-F411 HydrophobicContact CD1-CD1 4.22Å; L258-F411 HydrophobicContact CD1-CG 4.23Å; L258-I413 HydrophobicContact CB-CD1 3.41Å; L258-I413 VanDerWaalsContact CB-CD1 3.41Å; L258-I413 HydrophobicContact CD1-CD1 4.04Å; L258-I413 HydrophobicContact CG-CD1 4.39Å; L258-I421 HydrophobicContact CB-CB 4.37Å; L258-I421 PolarHBondContact N-O 3.15Å; L258-I421 PolarHBondContact O-N 2.9Å; L258-I423 HydrophobicContact CD1-CD1 3.71Å; L258-I423 HydrophobicContact CD1-CG1 4.36Å; L258-I423 HydrophobicContact CG-CD1 4.31Å
259	S	81.4	Confident	77.4	Confident	30 Å²	30	65.5 Å²	65.5	21%	0.21	34%	0.343	C	S	.	.			trans	-83.1	138.8	-175.4	-58.3	0	0	0	0	114	G261 K262 D420	S259-G261 VanDerWaalsContact C-N 3.33Å; S259-G261 PolarHBondContact O-N 2.79Å; S259-K262 PolarHBondContact O-N 2.85Å; S259-D420 VanDerWaalsContact CA-CG 3.49Å; S259-D420 WeakPolarHBondContact CA-OD1 3.44Å; S259-D420 WeakPolarHBondContact CB-OD1 3.44Å; S259-D420 WeakPolarHBondContact CB-OD2 3.27Å; S259-D420 PolarHBondContact OG-OD2 3.32Å
260	V	79.1	Confident	79.1	Confident	13 Å²	13	63.7 Å²	63.7	8%	0.079	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-67.8	-31.5	-176.9	173.1	0	0	0	0	112.8	K262 L263 I413 A415 N419 D420	V260-K262 PolarHBondContact O-N 2.89Å; V260-L263 HydrophobicContact CG1-CD1 4.13Å; V260-L263 WeakPolarHBondContact O-CD1 3.42Å; V260-L263 VanDerWaalsContact O-CG 3.3Å; V260-L263 WeakPolarHBondContact O-CG 3.31Å; V260-I413 HydrophobicContact CG2-CG2 3.97Å; V260-A415 HydrophobicContact CG1-CB 3.58Å; V260-N419 WeakPolarHBondContact CG2-O 3.43Å; V260-D420 PolarHBondContact N-OD1 3.42Å
261	G	73	Confident	80.6	Confident	78 Å²	78	58.7 Å²	58.7	80%	0.804	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-65.9	-2.6	-178.2	0	0	0	0	0	115.4	S259	S259-G261 VanDerWaalsContact C-N 3.33Å; S259-G261 PolarHBondContact O-N 2.79Å
262	K	68.5	Low	82	Confident	56 Å²	56	53.5 Å²	53.5	24%	0.243	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-128.3	19.7	-168.4	-68.1	175.9	167.2	-100.5	0	114	T244 D245 F248 S259 V260	T244-K262 PolarHBondContact OG1-O 2.89Å; D245-K262 IonicContact OD2-NZ 2.75Å; D245-K262 PolarHBondContact OD2-NZ 2.72Å; F248-K262 HydrophobicContact CB-CD 3.71Å; S259-K262 PolarHBondContact O-N 2.85Å; V260-K262 PolarHBondContact O-N 2.89Å
263	L	77.2	Confident	83.1	Confident	36 Å²	36	47.5 Å²	47.5	19%	0.188	27%	0.268	C	S	.	.			trans	-75.9	147	179.1	-59	172	0	0	0	110.8	V260 A269 I413 A415	V260-L263 HydrophobicContact CG1-CD1 4.13Å; V260-L263 WeakPolarHBondContact O-CD1 3.42Å; V260-L263 VanDerWaalsContact O-CG 3.3Å; V260-L263 WeakPolarHBondContact O-CG 3.31Å; L263-A269 HydrophobicContact CD2-CB 3.57Å; L263-I413 HydrophobicContact CD1-CB 4.06Å; L263-I413 HydrophobicContact CD1-CG2 4.36Å; L263-I413 HydrophobicContact CD2-CB 3.89Å; L263-I413 HydrophobicContact CD2-CD1 4.31Å; L263-I413 HydrophobicContact CD2-CG1 4.23Å; L263-A415 HydrophobicContact CD1-CB 3.8Å
264	N	81.2	Confident	83.7	Confident	48 Å²	48	42.1 Å²	42.1	26%	0.257	24%	0.239	S	C	.	.			trans	-72.5	176.2	166.1	69.8	12	0	0	0	111.3	T244 Y266 G267 Q268	T244-N264 HydrophobicContact CG2-CB 3.72Å; N264-Y266 PolarHBondContact O-N 2.73Å; N264-Y266 WeakPolarHBondContact OD1-CA 3.45Å; N264-Y266 PolarHBondContact OD1-N 3.01Å; N264-G267 PolarHBondContact O-N 2.89Å; N264-G267 PolarHBondContact OD1-N 2.8Å; N264-G267 VanDerWaalsContact OD1-N 3.15Å; N264-Q268 PolarHBondContact N-O 3.44Å; N264-Q268 WeakPolarHBondContact ND2-CB 3.45Å; N264-Q268 PolarHBondContact ND2-OE1 2.77Å; N264-Q268 WeakPolarHBondContact OD1-CB 3.46Å; N264-Q268 PolarHBondContact OD1-N 2.91Å
265	S	81.1	Confident	83.7	Confident	114 Å²	114	42.9 Å²	42.9	80%	0.797	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-18.6	178	54.1	0	0	0	0	114.9
266	Y	83.1	Confident	83	Confident	189 Å²	189	41.6 Å²	41.6	74%	0.741	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	3.5	178.2	-58.3	-75.4	0	0	0	113.4	N264 Q268	N264-Y266 PolarHBondContact O-N 2.73Å; N264-Y266 WeakPolarHBondContact OD1-CA 3.45Å; N264-Y266 PolarHBondContact OD1-N 3.01Å; Y266-Q268 VanDerWaalsContact C-N 3.29Å; Y266-Q268 PolarHBondContact O-N 2.87Å
267	G	86.2	Confident	82.2	Confident	14 Å²	14	46.6 Å²	46.6	14%	0.144	26%	0.256	C	S	.	.			trans	75.2	11.4	-176.4	0	0	0	0	0	114.4	N264 Y412 I413	N264-G267 PolarHBondContact O-N 2.89Å; N264-G267 PolarHBondContact OD1-N 2.8Å; N264-G267 VanDerWaalsContact OD1-N 3.15Å; G267-Y412 CarbonylContact O-C 3.53Å; G267-Y412 VanDerWaalsContact O-CA 3.26Å; G267-Y412 WeakPolarHBondContact O-CA 2.88Å; G267-I413 PolarHBondContact O-N 2.95Å
268	Q	87.6	Confident	81.6	Confident	34 Å²	34	48 Å²	48	16%	0.159	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	129	176.5	-172.1	176.9	44.4	0	0	109.8	T244 N264 Y266 N410 Y412	T244-Q268 VanDerWaalsContact CG2-O 3.23Å; T244-Q268 WeakPolarHBondContact CG2-O 3.41Å; N264-Q268 PolarHBondContact N-O 3.44Å; N264-Q268 WeakPolarHBondContact ND2-CB 3.45Å; N264-Q268 PolarHBondContact ND2-OE1 2.77Å; N264-Q268 WeakPolarHBondContact OD1-CB 3.46Å; N264-Q268 PolarHBondContact OD1-N 2.91Å; Y266-Q268 VanDerWaalsContact C-N 3.29Å; Y266-Q268 PolarHBondContact O-N 2.87Å; Q268-N410 PolarHBondContact NE2-OD1 2.95Å; Q268-N410 VanDerWaalsContact NE2-OD1 3.17Å; Q268-Y412 HydrophobicContact CB-CD1 3.79Å; Q268-Y412 HydrophobicContact CB-CE1 3.69Å; Q268-Y412 HydrophobicContact CG-CD1 4.36Å; Q268-Y412 HydrophobicContact CG-CE1 4.07Å
269	A	87.2	Confident	81.4	Confident	4 Å²	4	48.2 Å²	48.2	3%	0.033	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-37.4	179.1	0	0	0	0	0	112.6	L258 L263 F411 I413	L258-A269 HydrophobicContact CB-CB 4.31Å; L258-A269 HydrophobicContact CD1-CB 4.31Å; L258-A269 HydrophobicContact CD2-CB 4.49Å; L263-A269 HydrophobicContact CD2-CB 3.57Å; A269-F411 PolarHBondContact N-O 3.37Å; A269-I413 HydrophobicContact CB-CD1 3.67Å; A269-I413 HydrophobicContact CB-CG1 3.88Å
270	L	87.6	Confident	81.3	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	142.5	-172.3	163.1	60.1	0	0	0	111.4	W243 L256 L258 I272 N410 F411	W243-L270 HydrophobicContact CD2-CD1 4.12Å; W243-L270 HydrophobicContact CE3-CB 4.14Å; W243-L270 HydrophobicContact CE3-CD1 3.37Å; W243-L270 HydrophobicContact CE3-CG 4.23Å; W243-L270 HydrophobicContact CH2-CD1 3.5Å; W243-L270 HydrophobicContact CH2-CD2 4.18Å; W243-L270 HydrophobicContact CH2-CG 4.37Å; W243-L270 HydrophobicContact CZ2-CD1 4.2Å; W243-L270 HydrophobicContact CZ3-CB 3.91Å; W243-L270 HydrophobicContact CZ3-CD1 3.05Å; W243-L270 HydrophobicContact CZ3-CD2 3.78Å; W243-L270 HydrophobicContact CZ3-CG 3.72Å; L256-L270 HydrophobicContact CD2-CD2 3.38Å; L258-L270 HydrophobicContact CD2-CB 4.03Å; L258-L270 HydrophobicContact CD2-CD2 4.15Å; L270-I272 HydrophobicContact CD1-CD1 4.39Å; L270-I272 HydrophobicContact CD1-CG1 3.63Å; L270-I272 HydrophobicContact CD2-CD1 3.92Å; L270-I272 HydrophobicContact CD2-CG1 4.05Å; L270-I272 HydrophobicContact CG-CD1 4.31Å; L270-I272 HydrophobicContact CG-CG1 3.88Å; L270-N410 CarbonylContact O-C 3.55Å; L270-N410 WeakPolarHBondContact O-CA 3.24Å; L270-F411 HydrophobicContact CB-CB 4.17Å; L270-F411 HydrophobicContact CB-CD2 4.19Å; L270-F411 HydrophobicContact CD2-CD2 3.72Å; L270-F411 HydrophobicContact CD2-CE2 4.03Å; L270-F411 HydrophobicContact CD2-CG 4.4Å; L270-F411 HydrophobicContact CG-CD2 3.91Å; L270-F411 PolarHBondContact N-O 3.43Å; L270-F411 PolarHBondContact O-N 3.31Å
271	S	90.5	Very high	81.8	Confident	5 Å²	5	48.8 Å²	48.8	4%	0.035	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	118.1	172.8	147.2	0	0	0	0	109.9	R242 K408 I409	R242-S271 PolarHBondContact N-O 3.28Å; R242-S271 WeakPolarHBondContact O-CB 3.14Å; R242-S271 PolarHBondContact O-N 2.9Å; S271-K408 WeakPolarHBondContact OG-CE 3.29Å; S271-K408 PolarHBondContact OG-NZ 3.17Å; S271-I409 CarbonylContact C-O 3.5Å; S271-I409 WeakPolarHBondContact CA-O 3.31Å
272	I	90.7	Very high	82.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.7	177.2	-57.1	176.3	0	0	0	109.4	L232 I239 L270 K408 I409 F411 L426	L232-I272 HydrophobicContact CB-CD1 4.28Å; L232-I272 HydrophobicContact CD2-CG2 4.11Å; I239-I272 HydrophobicContact CG2-CG2 3.58Å; L270-I272 HydrophobicContact CD1-CD1 4.39Å; L270-I272 HydrophobicContact CD1-CG1 3.63Å; L270-I272 HydrophobicContact CD2-CD1 3.92Å; L270-I272 HydrophobicContact CD2-CG1 4.05Å; L270-I272 HydrophobicContact CG-CD1 4.31Å; L270-I272 HydrophobicContact CG-CG1 3.88Å; I272-K408 CarbonylContact O-C 3.53Å; I272-K408 WeakPolarHBondContact O-CA 3.39Å; I272-I409 HydrophobicContact CB-CB 4.32Å; I272-I409 PolarHBondContact N-O 2.8Å; I272-I409 PolarHBondContact O-N 3.05Å; I272-F411 HydrophobicContact CD1-CE2 4.27Å; I272-L426 HydrophobicContact CD1-CD2 3.41Å; I272-L426 VanDerWaalsContact CD1-CD2 3.41Å
273	I	90.5	Very high	84	Confident	36 Å²	36	42.4 Å²	42.4	19%	0.185	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	103	174	-58.6	167.9	0	0	0	108	I240 K408	I240-I273 HydrophobicContact CB-CB 4.25Å; I240-I273 PolarHBondContact N-O 3.17Å; I240-I273 PolarHBondContact O-N 3.24Å; I273-K408 HydrophobicContact CG1-CG 4.19Å
274	P	87.8	Confident	84.8	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.032	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.1	167.7	-14.8	30	0	0	0	109.6	L230 V406 L428	L230-P274 HydrophobicContact CD2-CB 4.11Å; P274-V406 HydrophobicContact CG-CB 4.45Å; P274-V406 HydrophobicContact CG-CG1 4.09Å; P274-L428 HydrophobicContact CB-CD1 4.02Å; P274-L428 HydrophobicContact CG-CD1 3.59Å
275	K	77.7	Confident	85.4	Confident	118 Å²	118	39.3 Å²	39.3	51%	0.513	20%	0.196	S	C	.	.			trans	-79.5	-20.7	178.3	-67	-168.2	-170.2	161.3	0	113.4	D237 N238 I240	D237-K275 WeakPolarHBondContact O-CD 3.32Å; D237-K275 WeakPolarHBondContact O-CE 3.36Å; D237-K275 PolarHBondContact O-NZ 2.86Å; N238-K275 WeakPolarHBondContact O-CB 3.19Å; N238-K275 PolarHBondContact O-N 2.83Å; I240-K275 HydrophobicContact CD1-CG 4.49Å; I240-K275 HydrophobicContact CG1-CG 4.5Å
276	L	69.8	Low	86	Confident	35 Å²	35	33.9 Å²	33.9	18%	0.183	16%	0.158	C	C	.	.	S	Bend	trans	-94.1	157.8	-171.2	-55.7	151.8	0	0	0	111.7	N227 L230 N238 W279	N227-L276 HydrophobicContact CB-CD1 3.43Å; N227-L276 VanDerWaalsContact CB-CD1 3.43Å; N227-L276 WeakPolarHBondContact ND2-CD1 3.37Å; N227-L276 WeakPolarHBondContact ND2-CD2 3.31Å; L230-L276 HydrophobicContact CD2-CD1 4.42Å; N238-L276 HydrophobicContact CB-CD1 3.66Å; N238-L276 HydrophobicContact CB-CG 4.19Å; L276-W279 HydrophobicContact CB-CZ2 3.76Å; L276-W279 HydrophobicContact CD1-CH2 4.08Å; L276-W279 HydrophobicContact CD1-CZ2 3.79Å; L276-W279 HydrophobicContact CG-CZ2 4.49Å; L276-W279 PolarHBondContact O-NE1 3.3Å
277	Q	72.1	Confident	86.5	Confident	122 Å²	122	29.6 Å²	29.6	57%	0.57	14%	0.141	S	C	*	.			trans	-99.1	154.3	-175	-58.7	-176.3	-5.7	0	0	111.4
278	E	75.3	Confident	86.8	Confident	69 Å²	69	31.4 Å²	31.4	32%	0.322	15%	0.146	S	C	.	.			trans	68	89.4	170.6	-51.3	-179.2	175.5	0	0	116.4	H403 V404 K430	E278-H403 HydrophobicContact CG-CB 4.41Å; E278-H403 IonicContact OE1-CE1 3.32Å; E278-V404 WeakPolarHBondContact CA-O 3.38Å; E278-K430 IonicContact OE2-NZ 2.69Å; E278-K430 PolarHBondContact OE2-NZ 3.37Å
279	W	81.3	Confident	87.1	Confident	5 Å²	5	30 Å²	30	2%	0.019	14%	0.139	C	C	.	.			trans	-119.7	131.3	175.2	-57.1	107.8	0	0	0	111	N227 L230 L276 V404 V406 L428	N227-W279 HydrophobicContact CB-CH2 4.12Å; L230-W279 HydrophobicContact CB-CH2 3.45Å; L230-W279 VanDerWaalsContact CB-CH2 3.45Å; L230-W279 HydrophobicContact CB-CZ2 3.84Å; L230-W279 HydrophobicContact CB-CZ3 4.06Å; L230-W279 HydrophobicContact CD2-CH2 4.15Å; L230-W279 HydrophobicContact CD2-CZ2 3.64Å; L230-W279 HydrophobicContact CG-CH2 4.4Å; L230-W279 HydrophobicContact CG-CZ2 4.37Å; L276-W279 HydrophobicContact CB-CZ2 3.76Å; L276-W279 HydrophobicContact CD1-CH2 4.08Å; L276-W279 HydrophobicContact CD1-CZ2 3.79Å; L276-W279 HydrophobicContact CG-CZ2 4.49Å; L276-W279 PolarHBondContact O-NE1 3.3Å; W279-V404 PolarHBondContact N-O 2.94Å; W279-V404 VanDerWaalsContact N-O 3.16Å; W279-V406 HydrophobicContact CB-CG2 4.01Å; W279-V406 HydrophobicContact CG-CG2 4.28Å; W279-L428 HydrophobicContact CB-CB 4.33Å; W279-L428 HydrophobicContact CB-CD2 4.35Å; W279-L428 HydrophobicContact CD2-CB 3.6Å; W279-L428 HydrophobicContact CD2-CD1 4.04Å; W279-L428 HydrophobicContact CD2-CG 4.38Å; W279-L428 HydrophobicContact CE3-CB 3.65Å; W279-L428 HydrophobicContact CG-CB 3.92Å; W279-L428 HydrophobicContact CG-CD1 3.86Å; W279-L428 HydrophobicContact CG-CD2 4.45Å; W279-L428 HydrophobicContact CG-CG 4.29Å; W279-L428 HydrophobicContact CZ3-CB 4.21Å
280	D	80.4	Confident	87.3	Confident	44 Å²	44	29.8 Å²	29.8	24%	0.235	14%	0.137	C	C	.	.			trans	-92.7	-38	178.2	-65.8	-60.7	0	0	0	111.6	D365 L366 G429 K430 L431	D280-D365 WeakPolarHBondContact O-CA 3.38Å; D280-L366 PolarHBondContact O-N 3.37Å; D280-G429 PolarHBondContact N-O 3.42Å; D280-K430 WeakPolarHBondContact OD2-CA 3.42Å; D280-K430 VanDerWaalsContact OD2-CG 3.26Å; D280-K430 WeakPolarHBondContact OD2-CG 3.3Å; D280-L431 HydrophobicContact CB-CB 4.39Å; D280-L431 WeakPolarHBondContact OD2-CB 3.34Å; D280-L431 PolarHBondContact OD2-N 2.92Å
281	Y	88.2	Confident	87.6	Confident	11 Å²	11	32.9 Å²	32.9	4%	0.043	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.2	-171.8	-52.6	-51.2	0	0	0	112.7	R364 D365 L428 G429 L431 E448 F451	Y281-R364 VanDerWaalsContact CA-O 3.25Å; Y281-R364 WeakPolarHBondContact CA-O 3.39Å; Y281-D365 HydrophobicContact CD1-CB 4.37Å; Y281-D365 HydrophobicContact CE1-CB 4.28Å; Y281-L428 CarbonylContact O-C 3.56Å; Y281-L428 VanDerWaalsContact O-CA 3.27Å; Y281-L428 WeakPolarHBondContact O-CA 3.1Å; Y281-L428 WeakPolarHBondContact O-CD2 3.39Å; Y281-G429 PolarHBondContact N-O 3.26Å; Y281-G429 PolarHBondContact O-N 2.89Å; Y281-L431 HydrophobicContact CE2-CB 4.25Å; Y281-L431 WeakPolarHBondContact OH-CD1 3.2Å; Y281-E448 HydrophobicContact CE2-CB 4.34Å; Y281-E448 HydrophobicContact CE2-CG 4.1Å; Y281-F451 AromaticContact CD1-CD1 3.91Å; Y281-F451 HydrophobicContact CD1-CD1 3.91Å; Y281-F451 HydrophobicContact CD1-CD2 4.03Å; Y281-F451 AromaticContact CD1-CE1 3.92Å; Y281-F451 HydrophobicContact CD1-CE1 3.92Å; Y281-F451 HydrophobicContact CD1-CE2 4.05Å; Y281-F451 AromaticContact CD1-CG 3.99Å; Y281-F451 HydrophobicContact CD1-CG 3.99Å; Y281-F451 AromaticContact CD1-CZ 4Å; Y281-F451 HydrophobicContact CD1-CZ 4Å; Y281-F451 AromaticContact CE1-CD1 3.78Å; Y281-F451 HydrophobicContact CE1-CD1 3.78Å; Y281-F451 AromaticContact CE1-CE1 3.58Å; Y281-F451 HydrophobicContact CE1-CE1 3.58Å; Y281-F451 HydrophobicContact CE1-CE2 4.48Å; Y281-F451 HydrophobicContact CE1-CG 4.34Å; Y281-F451 AromaticContact CE1-CZ 3.98Å; Y281-F451 HydrophobicContact CE1-CZ 3.98Å; Y281-F451 HydrophobicContact CE2-CD1 4.46Å; Y281-F451 HydrophobicContact CG-CB 4.47Å; Y281-F451 HydrophobicContact CG-CD1 4.34Å; Y281-F451 HydrophobicContact CG-CD2 4.37Å; Y281-F451 HydrophobicContact CG-CG 4.15Å
282	L	93.3	Very high	87.7	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.7	160.3	174.1	77.7	0	0	0	108.3	L297 Y319 A363 R364 L366 I409 L426 L428	L282-L297 HydrophobicContact CD2-CD1 3.94Å; L282-L297 HydrophobicContact CD2-CD2 3.81Å; L282-L297 HydrophobicContact CD2-CG 4.4Å; L282-Y319 HydrophobicContact CD2-CE2 4.08Å; L282-A363 CarbonylContact O-C 3.24Å; L282-A363 WeakPolarHBondContact O-CA 3.43Å; L282-R364 HydrophobicContact CB-CB 4.43Å; L282-R364 PolarHBondContact N-O 3.2Å; L282-R364 PolarHBondContact O-N 3.35Å; L282-L366 HydrophobicContact CB-CD2 3.95Å; L282-L366 HydrophobicContact CB-CG 4.39Å; L282-I409 HydrophobicContact CD1-CD1 4.06Å; L282-L426 HydrophobicContact CD1-CD1 4.27Å; L282-L428 HydrophobicContact CB-CD2 4.19Å; L282-L428 HydrophobicContact CD1-CD2 3.74Å
283	I	94.4	Very high	87.8	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.9	173.4	-57.9	160.4	0	0	0	108.5	V362 L426 Y427 A447 L450 F451 I454	I283-V362 CarbonylContact C-O 3.57Å; I283-V362 VanDerWaalsContact CA-O 3.31Å; I283-V362 WeakPolarHBondContact CA-O 3.41Å; I283-L426 CarbonylContact O-C 3.52Å; I283-L426 VanDerWaalsContact O-CA 3.3Å; I283-L426 WeakPolarHBondContact O-CA 3.17Å; I283-Y427 PolarHBondContact N-O 2.87Å; I283-Y427 PolarHBondContact O-N 2.94Å; I283-A447 HydrophobicContact CD1-CB 4.22Å; I283-A447 WeakPolarHBondContact CD1-O 3.44Å; I283-L450 HydrophobicContact CD1-CB 4.2Å; I283-L450 HydrophobicContact CD1-CD2 4.27Å; I283-L450 HydrophobicContact CD1-CG 4.22Å; I283-L450 HydrophobicContact CG2-CD2 3.93Å; I283-L450 HydrophobicContact CG2-CG 4.25Å; I283-F451 HydrophobicContact CD1-CB 3.9Å; I283-F451 HydrophobicContact CG1-CB 4.31Å; I283-I454 HydrophobicContact CG2-CD1 3.48Å; I283-I454 VanDerWaalsContact CG2-CD1 3.48Å
284	M	94.3	Very high	88.1	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.1	171.2	-173.7	-79.2	-56.3	0	0	109.4	G286 W289 I295 I360 K361 V362 F411 I423 K425 L426	M284-G286 PolarHBondContact SD-N 3.19Å; M284-W289 HydrophobicContact CE-CZ3 4.27Å; M284-W289 HydrophobicContact SD-CZ3 4.47Å; M284-I295 HydrophobicContact CB-CD1 4.44Å; M284-I295 HydrophobicContact CE-CD1 3.53Å; M284-I295 HydrophobicContact CG-CD1 4.22Å; M284-I360 HydrophobicContact CE-CG2 3.84Å; M284-I360 HydrophobicContact SD-CG2 4.43Å; M284-K361 CarbonylContact O-C 3.43Å; M284-K361 WeakPolarHBondContact O-CA 3.17Å; M284-V362 HydrophobicContact CB-CB 4.28Å; M284-V362 HydrophobicContact CE-CB 3.91Å; M284-V362 HydrophobicContact CE-CG2 3.57Å; M284-V362 PolarHBondContact N-O 3.29Å; M284-V362 PolarHBondContact O-N 3.01Å; M284-F411 HydrophobicContact CG-CE1 4.41Å; M284-I423 HydrophobicContact CG-CG2 4.17Å; M284-K425 CarbonylContact C-O 3.48Å; M284-K425 VanDerWaalsContact CA-O 3.24Å; M284-K425 WeakPolarHBondContact CA-O 3.3Å; M284-L426 HydrophobicContact CB-CD1 3.74Å; M284-L426 HydrophobicContact CG-CD1 3.81Å
285	I	94.8	Very high	88.5	Confident	19 Å²	19	34.2 Å²	34.2	10%	0.097	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.3	166.9	-53.5	-175.4	0	0	0	107	I360 K361 E424 K425 I454	I285-I360 WeakPolarHBondContact CA-O 3.32Å; I285-K361 HydrophobicContact CG1-CG 4.35Å; I285-K361 HydrophobicContact CG2-CG 4.29Å; I285-E424 PolarHBondContact O-N 2.88Å; I285-K425 HydrophobicContact CB-CB 3.96Å; I285-K425 HydrophobicContact CD1-CB 4.3Å; I285-K425 HydrophobicContact CD1-CD 3.89Å; I285-K425 HydrophobicContact CD1-CG 4.34Å; I285-K425 HydrophobicContact CG1-CB 4.02Å; I285-K425 PolarHBondContact N-O 2.89Å; I285-K425 PolarHBondContact O-N 3.25Å; I285-K425 VanDerWaalsContact O-N 3.14Å; I285-I454 HydrophobicContact CD1-CD1 4.13Å; I285-I454 HydrophobicContact CG1-CD1 4.32Å
286	G	93.8	Very high	89.3	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	166.5	-177.9	0	0	0	0	0	112.1	M284 S359 I360 T422	M284-G286 PolarHBondContact SD-N 3.19Å; G286-S359 WeakPolarHBondContact O-CA 3.33Å; G286-I360 PolarHBondContact N-O 3Å; G286-I360 PolarHBondContact O-N 3.4Å; G286-T422 CarbonylContact C-O 3.58Å; G286-T422 WeakPolarHBondContact CA-O 3.21Å
287	R	93.3	Very high	90.5	Very high	98 Å²	98	27.8 Å²	27.8	37%	0.37	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	161.9	176.4	-58.9	-158	-176.5	-172.3	6.1	111.4	W289 D358 T422 E424	R287-W289 PolarHBondContact O-N 3.17Å; R287-D358 WeakPolarHBondContact CA-O 3.34Å; R287-D358 WeakPolarHBondContact CB-O 3.44Å; R287-D358 WeakPolarHBondContact CG-O 3.45Å; R287-T422 PolarHBondContact N-O 2.74Å; R287-T422 PolarHBondContact O-N 3.19Å; R287-T422 VanDerWaalsContact O-N 3.14Å; R287-E424 HydrophobicContact CG-CG 4.16Å; R287-E424 IonicContact CZ-OE1 3.84Å; R287-E424 IonicContact CZ-OE2 3.08Å; R287-E424 IonicContact NE-OE1 3.36Å; R287-E424 PolarHBondContact NE-OE1 3.1Å; R287-E424 IonicContact NE-OE2 3.21Å; R287-E424 PolarHBondContact NE-OE2 2.95Å; R287-E424 IonicContact NH2-OE1 2.88Å; R287-E424 PolarHBondContact NH2-OE1 3.02Å; R287-E424 IonicContact NH2-OE2 3.16Å; R287-E424 PolarHBondContact NH2-OE2 3.16Å
288	Q	92.2	Very high	91.5	Very high	53 Å²	53	22.5 Å²	22.5	25%	0.248	11%	0.105	C	C	.	.	S	Bend	trans	58	31.8	177.9	-58.6	-64.8	-41.3	0	0	112.2	T290 F356 V357 D420	Q288-T290 PolarHBondContact O-N 3.06Å; Q288-F356 VanDerWaalsContact OE1-CG 3.24Å; Q288-V357 CarbonylContact C-O 3.57Å; Q288-V357 WeakPolarHBondContact CA-O 3.19Å; Q288-V357 PolarHBondContact N-O 2.75Å; Q288-D420 WeakPolarHBondContact CB-O 3.39Å
289	W	93	Very high	92.3	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.015	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-71.5	129.4	-175.4	-158.2	-86.7	0	0	0	110.5	M284 R287 S293 I295 C321 F356 V357 I360 F411 I421	M284-W289 HydrophobicContact CE-CZ3 4.27Å; M284-W289 HydrophobicContact SD-CZ3 4.47Å; R287-W289 PolarHBondContact O-N 3.17Å; W289-S293 PolarHBondContact NE1-O 3.33Å; W289-I295 HydrophobicContact CH2-CD1 4.08Å; W289-I295 HydrophobicContact CH2-CG1 3.68Å; W289-I295 HydrophobicContact CZ2-CG1 3.96Å; W289-C321 VanDerWaalsContact CD1-CB 3.44Å; W289-F356 CarbonylContact O-C 3.45Å; W289-F356 WeakPolarHBondContact O-CA 2.98Å; W289-V357 HydrophobicContact CB-CB 4.21Å; W289-V357 PolarHBondContact N-O 3.41Å; W289-V357 PolarHBondContact O-N 2.77Å; W289-I360 HydrophobicContact CB-CB 4.39Å; W289-I360 HydrophobicContact CB-CD1 4.39Å; W289-I360 HydrophobicContact CB-CG2 3.9Å; W289-I360 HydrophobicContact CD2-CD1 4.25Å; W289-I360 HydrophobicContact CD2-CG2 4.04Å; W289-I360 HydrophobicContact CE3-CG2 3.91Å; W289-I360 HydrophobicContact CG-CD1 3.94Å; W289-I360 HydrophobicContact CG-CG2 4.06Å; W289-F411 AromaticContact CH2-CD1 3.91Å; W289-F411 HydrophobicContact CH2-CD1 3.91Å; W289-F411 HydrophobicContact CH2-CE1 4.23Å; W289-F411 HydrophobicContact CZ3-CD1 4.41Å; W289-I421 HydrophobicContact CD2-CD1 4.14Å; W289-I421 HydrophobicContact CD2-CG2 4.45Å; W289-I421 HydrophobicContact CE3-CD1 4.07Å; W289-I421 HydrophobicContact CE3-CG2 3.46Å; W289-I421 VanDerWaalsContact CE3-CG2 3.46Å; W289-I421 HydrophobicContact CZ3-CD1 4.43Å; W289-I421 HydrophobicContact CZ3-CG2 3.62Å
290	T	92.8	Very high	92.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-100.7	159.2	-173.5	58.2	0	0	0	0	112.7	Q288 G292 S293 Y417 N419	Q288-T290 PolarHBondContact O-N 3.06Å; T290-G292 PolarHBondContact O-N 3.22Å; T290-S293 VanDerWaalsContact O-CB 3.31Å; T290-S293 WeakPolarHBondContact O-CB 3.31Å; T290-S293 PolarHBondContact O-N 3.31Å; T290-S293 VanDerWaalsContact O-N 3.15Å; T290-S293 PolarHBondContact O-OG 2.92Å; T290-S293 PolarHBondContact OG1-OG 3.16Å; T290-Y417 HydrophobicContact CG2-CD2 4.39Å; T290-Y417 HydrophobicContact CG2-CG 4.34Å; T290-N419 HydrophobicContact CG2-CB 3.95Å
291	Y	93.4	Very high	92.5	Very high	65 Å²	65	19.1 Å²	19.1	26%	0.255	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	131.1	176.2	168.9	-102.9	0	0	0	111	S293 E348 K352 N414 Y417	Y291-S293 VanDerWaalsContact C-N 3.25Å; Y291-S293 PolarHBondContact O-N 3.43Å; Y291-E348 HydrophobicContact CD2-CB 4.23Å; Y291-E348 HydrophobicContact CD2-CG 3.73Å; Y291-E348 HydrophobicContact CE2-CB 4.38Å; Y291-E348 HydrophobicContact CE2-CG 3.65Å; Y291-K352 HydrophobicContact CD2-CG 4.33Å; Y291-N414 WeakPolarHBondContact O-CB 3.34Å; Y291-N414 PolarHBondContact O-ND2 3.11Å; Y291-Y417 HydrophobicContact CD1-CE2 4.43Å
292	G	92.6	Very high	92	Very high	21 Å²	21	21.5 Å²	21.5	22%	0.216	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-6.1	-179.9	0	0	0	0	0	114.7	T290 Y294 C321	T290-G292 PolarHBondContact O-N 3.22Å; G292-Y294 WeakPolarHBondContact O-CD1 3.35Å; G292-C321 PolarHBondContact N-O 3.36Å
293	S	93.8	Very high	90.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.103	C	C	.	.			trans	-72.8	141	170.6	-64.3	0	0	0	0	110.7	W289 T290 Y291 C321 Y412 I413 N414	W289-S293 PolarHBondContact NE1-O 3.33Å; T290-S293 VanDerWaalsContact O-CB 3.31Å; T290-S293 WeakPolarHBondContact O-CB 3.31Å; T290-S293 PolarHBondContact O-N 3.31Å; T290-S293 VanDerWaalsContact O-N 3.15Å; T290-S293 PolarHBondContact O-OG 2.92Å; T290-S293 PolarHBondContact OG1-OG 3.16Å; Y291-S293 VanDerWaalsContact C-N 3.25Å; Y291-S293 PolarHBondContact O-N 3.43Å; S293-C321 VanDerWaalsContact O-CB 3.26Å; S293-C321 WeakPolarHBondContact O-CB 3.16Å; S293-C321 PolarHBondContact O-N 3.14Å; S293-Y412 CarbonylContact C-O 3.23Å; S293-Y412 VanDerWaalsContact CA-O 3.31Å; S293-Y412 WeakPolarHBondContact CA-O 3.49Å; S293-Y412 WeakPolarHBondContact CB-O 3.46Å; S293-I413 WeakPolarHBondContact OG-CA 3.5Å; S293-N414 PolarHBondContact OG-N 3.1Å
294	Y	95.1	Very high	89.4	Confident	52 Å²	52	24.2 Å²	24.2	20%	0.204	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	158	-173.4	67.2	-93.4	0	0	0	114.1	G292 E296 V318 Y319 Y412	G292-Y294 WeakPolarHBondContact O-CD1 3.35Å; Y294-E296 HydrophobicContact CD2-CB 4.29Å; Y294-E296 HydrophobicContact CE2-CB 4.18Å; Y294-V318 HydrophobicContact CD2-CG1 3.64Å; Y294-V318 HydrophobicContact CE2-CG1 4.37Å; Y294-V318 HydrophobicContact CG-CG1 4.06Å; Y294-Y319 VanDerWaalsContact CA-O 3.27Å; Y294-Y319 WeakPolarHBondContact CA-O 3.25Å; Y294-Y319 VanDerWaalsContact CB-O 3.3Å; Y294-Y319 WeakPolarHBondContact CB-O 3.49Å; Y294-Y412 AromaticContact CD2-CD2 3.63Å; Y294-Y412 HydrophobicContact CD2-CD2 3.63Å; Y294-Y412 HydrophobicContact CD2-CE2 4.32Å; Y294-Y412 HydrophobicContact CD2-CG 4.18Å; Y294-Y412 VanDerWaalsContact CE1-CB 3.49Å; Y294-Y412 HydrophobicContact CE1-CD1 4.47Å; Y294-Y412 HydrophobicContact CE1-CD2 4.27Å; Y294-Y412 AromaticContact CE1-CG 3.88Å; Y294-Y412 HydrophobicContact CE1-CG 3.88Å; Y294-Y412 HydrophobicContact CE2-CD1 4.29Å; Y294-Y412 AromaticContact CE2-CD2 3Å; Y294-Y412 HydrophobicContact CE2-CD2 3Å; Y294-Y412 AromaticContact CE2-CE2 3.44Å; Y294-Y412 HydrophobicContact CE2-CE2 3.44Å; Y294-Y412 VanDerWaalsContact CE2-CE2 3.44Å; Y294-Y412 AromaticContact CE2-CG 3.48Å; Y294-Y412 HydrophobicContact CE2-CG 3.48Å; Y294-Y412 VanDerWaalsContact CE2-CG 3.48Å; Y294-Y412 HydrophobicContact CG-CD2 4.47Å; Y294-Y412 VanDerWaalsContact CZ-CB 3.46Å; Y294-Y412 AromaticContact CZ-CD1 3.8Å; Y294-Y412 AromaticContact CZ-CD2 3.38Å; Y294-Y412 AromaticContact CZ-CE2 3.91Å; Y294-Y412 AromaticContact CZ-CG 3.27Å; Y294-Y412 PolarHBondContact N-O 3.13Å; Y294-Y412 PolarHBondContact O-N 2.99Å; Y294-Y412 VanDerWaalsContact OH-CD1 3.28Å; Y294-Y412 WeakPolarHBondContact OH-CD1 3.27Å; Y294-Y412 VanDerWaalsContact OH-CG 3.28Å
295	I	95.9	Very high	87.7	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.9	172.1	-52.5	167	0	0	0	107.8	M284 W289 L297 V318 Y319 I409 N410 F411	M284-I295 HydrophobicContact CB-CD1 4.44Å; M284-I295 HydrophobicContact CE-CD1 3.53Å; M284-I295 HydrophobicContact CG-CD1 4.22Å; W289-I295 HydrophobicContact CH2-CD1 4.08Å; W289-I295 HydrophobicContact CH2-CG1 3.68Å; W289-I295 HydrophobicContact CZ2-CG1 3.96Å; I295-L297 HydrophobicContact CG2-CD1 4.03Å; I295-V318 CarbonylContact O-C 3.53Å; I295-V318 VanDerWaalsContact O-CA 3.28Å; I295-V318 WeakPolarHBondContact O-CA 3.22Å; I295-Y319 PolarHBondContact N-O 3.44Å; I295-Y319 PolarHBondContact O-N 3.34Å; I295-I409 HydrophobicContact CG2-CG2 3.85Å; I295-N410 CarbonylContact C-O 3.58Å; I295-N410 WeakPolarHBondContact CA-O 3.46Å; I295-F411 HydrophobicContact CD1-CE1 3.94Å; I295-F411 HydrophobicContact CG1-CD1 3.96Å; I295-F411 HydrophobicContact CG1-CE1 3.75Å; I295-F411 HydrophobicContact CG1-CZ 4.49Å; I295-F411 HydrophobicContact CG2-CE1 4.43Å; I295-F411 HydrophobicContact CG2-CZ 4.41Å
296	E	95.7	Very high	85.9	Confident	17 Å²	17	30.7 Å²	30.7	8%	0.079	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.4	176.2	175.5	-176	74	0	0	110.5	Y294 L316 V317 V318 K339 I409 N410 Y412	Y294-E296 HydrophobicContact CD2-CB 4.29Å; Y294-E296 HydrophobicContact CE2-CB 4.18Å; E296-L316 HydrophobicContact CG-CD2 4.42Å; E296-V317 CarbonylContact C-O 3.51Å; E296-V317 WeakPolarHBondContact CA-O 3.43Å; E296-V318 HydrophobicContact CB-CG2 4.04Å; E296-V318 HydrophobicContact CG-CG2 3.9Å; E296-K339 IonicContact OE2-NZ 3.37Å; E296-K339 PolarHBondContact OE2-NZ 2.9Å; E296-I409 CarbonylContact O-C 3.49Å; E296-I409 WeakPolarHBondContact O-CA 3.29Å; E296-N410 HydrophobicContact CB-CB 4.3Å; E296-N410 PolarHBondContact N-O 3.06Å; E296-N410 PolarHBondContact O-N 3.16Å; E296-N410 PolarHBondContact OE1-ND2 2.93Å; E296-Y412 HydrophobicContact CB-CE2 3.98Å; E296-Y412 PolarHBondContact OE1-OH 3.02Å; E296-Y412 VanDerWaalsContact OE1-OH 3.14Å
297	L	95.4	Very high	83.8	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.6	175.9	-65.9	86.9	0	0	0	109.9	L282 I295 L299 L316 V317 Y319 L366 V406 K408 I409	L282-L297 HydrophobicContact CD2-CD1 3.94Å; L282-L297 HydrophobicContact CD2-CD2 3.81Å; L282-L297 HydrophobicContact CD2-CG 4.4Å; I295-L297 HydrophobicContact CG2-CD1 4.03Å; L297-L299 HydrophobicContact CB-CD2 3.86Å; L297-L299 HydrophobicContact CB-CG 4.06Å; L297-L299 HydrophobicContact CD2-CD2 4.11Å; L297-L316 CarbonylContact O-C 3.5Å; L297-L316 VanDerWaalsContact O-CA 3.32Å; L297-L316 WeakPolarHBondContact O-CA 2.96Å; L297-V317 HydrophobicContact CB-CB 4.47Å; L297-V317 PolarHBondContact N-O 3.4Å; L297-V317 PolarHBondContact O-N 2.97Å; L297-Y319 HydrophobicContact CD1-CD2 3.68Å; L297-Y319 HydrophobicContact CD1-CE2 3.44Å; L297-Y319 VanDerWaalsContact CD1-CE2 3.44Å; L297-L366 HydrophobicContact CD2-CD2 3.87Å; L297-V406 HydrophobicContact CD2-CG1 4.5Å; L297-K408 CarbonylContact C-O 3.57Å; L297-K408 WeakPolarHBondContact CA-O 3.43Å; L297-I409 HydrophobicContact CD2-CG1 4.49Å; L297-I409 HydrophobicContact CG-CG1 4.42Å
298	S	93.3	Very high	82	Confident	12 Å²	12	41.6 Å²	41.6	8%	0.084	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	115.1	162.1	-63.7	0	0	0	0	108.8	L316 L407 K408	S298-L316 VanDerWaalsContact OG-CD2 3.32Å; S298-L316 WeakPolarHBondContact OG-CD2 3.28Å; S298-L407 WeakPolarHBondContact O-CA 3.36Å; S298-L407 WeakPolarHBondContact O-CB 3.24Å; S298-L407 PolarHBondContact O-N 3.41Å; S298-K408 PolarHBondContact N-O 3.1Å; S298-K408 PolarHBondContact O-N 2.86Å
299	L	91.2	Very high	80.2	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.8	-177.9	-56	-177.8	0	0	0	110.2	L297 K314 S315 V317 L366 L370 V404 Q405 V406	L297-L299 HydrophobicContact CB-CD2 3.86Å; L297-L299 HydrophobicContact CB-CG 4.06Å; L297-L299 HydrophobicContact CD2-CD2 4.11Å; L299-K314 CarbonylContact O-C 3.59Å; L299-K314 WeakPolarHBondContact O-CA 3.01Å; L299-S315 PolarHBondContact N-O 3.21Å; L299-S315 PolarHBondContact O-N 2.91Å; L299-V317 HydrophobicContact CD1-CB 4.22Å; L299-V317 HydrophobicContact CD1-CG2 3.56Å; L299-V317 HydrophobicContact CG-CG2 4.41Å; L299-L366 HydrophobicContact CD2-CD1 4.49Å; L299-L370 HydrophobicContact CD1-CD1 3.85Å; L299-L370 HydrophobicContact CD1-CD2 4.18Å; L299-L370 HydrophobicContact CD1-CG 4.16Å; L299-V404 HydrophobicContact CB-CG1 4.1Å; L299-V404 HydrophobicContact CD1-CG1 4.09Å; L299-V404 HydrophobicContact CD2-CG1 4.15Å; L299-V404 HydrophobicContact CG-CG1 4.34Å; L299-Q405 CarbonylContact C-O 3.53Å; L299-Q405 VanDerWaalsContact CA-O 3.3Å; L299-Q405 WeakPolarHBondContact CA-O 3.38Å; L299-V406 HydrophobicContact CD2-CB 4.23Å; L299-V406 HydrophobicContact CD2-CG1 4.34Å; L299-V406 HydrophobicContact CD2-CG2 3.78Å
300	L	86.6	Confident	78.9	Confident	34 Å²	34	49.8 Å²	49.8	18%	0.178	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	116.4	167.1	-170.3	61.8	0	0	0	108.2	Y302 P312 K314 Q405 L407	L300-Y302 HydrophobicContact CB-CE2 4.21Å; L300-Y302 HydrophobicContact CD2-CE2 3.82Å; L300-Y302 VanDerWaalsContact CD2-OH 3.23Å; L300-Y302 WeakPolarHBondContact CD2-OH 3.46Å; L300-Y302 HydrophobicContact CG-CD2 4.49Å; L300-Y302 HydrophobicContact CG-CE2 3.75Å; L300-P312 HydrophobicContact CD1-CB 3.74Å; L300-P312 HydrophobicContact CD2-CB 4.35Å; L300-P312 HydrophobicContact CG-CB 3.92Å; L300-K314 HydrophobicContact CD1-CB 4.37Å; L300-Q405 HydrophobicContact CB-CB 4.3Å; L300-Q405 PolarHBondContact N-O 3.17Å; L300-Q405 PolarHBondContact O-N 3.25Å; L300-L407 HydrophobicContact CB-CD1 4.08Å; L300-L407 HydrophobicContact CB-CD2 4.09Å; L300-L407 HydrophobicContact CB-CG 4.09Å; L300-L407 HydrophobicContact CD2-CD2 4.48Å
301	W	80.3	Confident	77.9	Confident	11 Å²	11	57.8 Å²	57.8	4%	0.042	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.3	-178.4	170.8	69	0	0	0	111	P303 P312 T313 L386 M389	W301-P303 HydrophobicContact CH2-CB 3.47Å; W301-P303 VanDerWaalsContact CH2-CB 3.47Å; W301-P303 HydrophobicContact CH2-CG 4.08Å; W301-P303 HydrophobicContact CZ2-CB 3.81Å; W301-P303 HydrophobicContact CZ3-CB 3.97Å; W301-P303 HydrophobicContact CZ3-CG 4.05Å; W301-P312 CarbonylContact O-C 3.56Å; W301-P312 WeakPolarHBondContact O-CA 3.47Å; W301-T313 PolarHBondContact N-O 3.27Å; W301-T313 PolarHBondContact O-N 2.94Å; W301-L386 HydrophobicContact CE3-CD2 3.95Å; W301-L386 HydrophobicContact CH2-CD2 3.34Å; W301-L386 HydrophobicContact CZ2-CD2 4.25Å; W301-L386 HydrophobicContact CZ3-CD2 3.17Å; W301-M389 HydrophobicContact CH2-CE 3.37Å; W301-M389 HydrophobicContact CZ2-CE 3.16Å; W301-M389 HydrophobicContact CZ3-CE 4.28Å
302	Y	76.1	Confident	77.1	Confident	62 Å²	62	57.5 Å²	57.5	24%	0.243	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.3	178.1	-67.9	-101.4	0	0	0	109.8	L300 P312 S402 H403 Q405	L300-Y302 HydrophobicContact CB-CE2 4.21Å; L300-Y302 HydrophobicContact CD2-CE2 3.82Å; L300-Y302 VanDerWaalsContact CD2-OH 3.23Å; L300-Y302 WeakPolarHBondContact CD2-OH 3.46Å; L300-Y302 HydrophobicContact CG-CD2 4.49Å; L300-Y302 HydrophobicContact CG-CE2 3.75Å; Y302-P312 HydrophobicContact CD1-CB 4.04Å; Y302-P312 HydrophobicContact CD1-CG 3.59Å; Y302-P312 HydrophobicContact CE1-CB 3.97Å; Y302-P312 HydrophobicContact CE1-CG 3.46Å; Y302-P312 VanDerWaalsContact CE1-CG 3.46Å; Y302-P312 HydrophobicContact CG-CB 4.41Å; Y302-P312 HydrophobicContact CG-CG 4.41Å; Y302-S402 WeakPolarHBondContact O-CA 3.36Å; Y302-S402 WeakPolarHBondContact O-CB 3.46Å; Y302-H403 AromaticContact CD1-CE1 3.87Å; Y302-H403 AromaticContact CD1-NE2 3.98Å; Y302-H403 AromaticContact CD2-CD2 3.53Å; Y302-H403 AromaticContact CD2-CE1 3.64Å; Y302-H403 AromaticContact CD2-NE2 3.05Å; Y302-H403 WeakPolarHBondContact CD2-NE2 3.39Å; Y302-H403 AromaticContact CE2-NE2 3.46Å; Y302-H403 WeakPolarHBondContact CE2-NE2 3.46Å; Y302-H403 AromaticContact CG-CE1 3.39Å; Y302-H403 AromaticContact CG-NE2 3.34Å; Y302-H403 VanDerWaalsContact CG-NE2 3.34Å; Y302-H403 PolarHBondContact N-O 3.44Å; Y302-H403 PolarHBondContact O-N 2.86Å; Y302-Q405 HydrophobicContact CE2-CB 4.18Å; Y302-Q405 PolarHBondContact OH-OE1 3.07Å
303	P	68.4	Low	76.5	Confident	17 Å²	17	58.7 Å²	58.7	11%	0.11	29%	0.292	C	S	.	.			trans	-62.8	157.8	172.4	16.3	-21.6	0	0	0	111.9	W301 N310	W301-P303 HydrophobicContact CH2-CB 3.47Å; W301-P303 VanDerWaalsContact CH2-CB 3.47Å; W301-P303 HydrophobicContact CH2-CG 4.08Å; W301-P303 HydrophobicContact CZ2-CB 3.81Å; W301-P303 HydrophobicContact CZ3-CB 3.97Å; W301-P303 HydrophobicContact CZ3-CG 4.05Å; P303-N310 HydrophobicContact CB-CB 3.76Å; P303-N310 HydrophobicContact CG-CB 3.27Å
304	P	65.6	Low	76.2	Confident	41 Å²	41	64.6 Å²	64.6	27%	0.266	32%	0.318	S	S	.	.			trans	-60.8	142.4	172.7	29	-33.1	0	0	0	109.7	G306 N400	P304-G306 PolarHBondContact O-N 2.66Å; P304-N400 HydrophobicContact CB-CB 4.5Å; P304-N400 WeakPolarHBondContact CB-O 3.38Å
305	V	57.7	Low	75.8	Confident	112 Å²	112	62.3 Å²	62.3	68%	0.679	31%	0.309	S	S	*	.			trans	-64.8	102.5	179.3	-174.5	0	0	0	0	108.3	N400	V305-N400 VanDerWaalsContact O-CG 3.31Å; V305-N400 PolarHBondContact O-ND2 3.12Å; V305-N400 VanDerWaalsContact O-ND2 3.16Å; V305-N400 PolarHBondContact O-OD1 2.8Å
306	G	56.8	Low	75.6	Confident	43 Å²	43	64.6 Å²	64.6	44%	0.443	32%	0.321	S	S	.	.			trans	-107.4	178.5	176.6	0	0	0	0	0	111.8	P304 S308	P304-G306 PolarHBondContact O-N 2.66Å; G306-S308 PolarHBondContact O-N 3.35Å
307	R	50.3	Low	75.6	Confident	269 Å²	269	63.8 Å²	63.8	100%	1.015	32%	0.318	S	S	*	.	S	Bend	trans	-64.5	-20.4	174.9	-68	-175.4	-178.2	-178.1	-0	113.3
308	S	55.2	Low	75.6	Confident	58 Å²	58	64 Å²	64	41%	0.406	32%	0.318	S	S	.	.	S	Bend	trans	-95.3	141.4	175.3	58.4	0	0	0	0	111.5	G306 N310	G306-S308 PolarHBondContact O-N 3.35Å; S308-N310 VanDerWaalsContact C-N 3.33Å; S308-N310 PolarHBondContact O-N 3.24Å; S308-N310 PolarHBondContact OG-OD1 2.79Å
309	K	55.9	Low	75.7	Confident	180 Å²	180	63.4 Å²	63.4	78%	0.783	32%	0.315	S	S	*	.			trans	-62.7	92.5	169	-74.7	-175.8	178.6	179.1	0	109.3	Y311	K309-Y311 HydrophobicContact CB-CE2 4.25Å
310	N	65.1	Low	75.9	Confident	49 Å²	49	64.5 Å²	64.5	26%	0.262	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-93.1	118.3	169.9	-65.1	-16.2	0	0	0	108	P303 S308	P303-N310 HydrophobicContact CB-CB 3.76Å; P303-N310 HydrophobicContact CG-CB 3.27Å; S308-N310 VanDerWaalsContact C-N 3.33Å; S308-N310 PolarHBondContact O-N 3.24Å; S308-N310 PolarHBondContact OG-OD1 2.79Å
311	Y	71.4	Confident	76.3	Confident	168 Å²	168	62.9 Å²	62.9	66%	0.659	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-82.5	148.1	-179.8	-66.9	-85.6	0	0	0	111.2	K309 T313	K309-Y311 HydrophobicContact CB-CE2 4.25Å; Y311-T313 PolarHBondContact O-N 3.46Å
312	P	77.5	Confident	77	Confident	59 Å²	59	62.8 Å²	62.8	38%	0.383	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-57.8	138.2	173	-23	33.7	0	0	0	111.4	L300 W301 Y302	L300-P312 HydrophobicContact CD1-CB 3.74Å; L300-P312 HydrophobicContact CD2-CB 4.35Å; L300-P312 HydrophobicContact CG-CB 3.92Å; W301-P312 CarbonylContact O-C 3.56Å; W301-P312 WeakPolarHBondContact O-CA 3.47Å; Y302-P312 HydrophobicContact CD1-CB 4.04Å; Y302-P312 HydrophobicContact CD1-CG 3.59Å; Y302-P312 HydrophobicContact CE1-CB 3.97Å; Y302-P312 HydrophobicContact CE1-CG 3.46Å; Y302-P312 VanDerWaalsContact CE1-CG 3.46Å; Y302-P312 HydrophobicContact CG-CB 4.41Å; Y302-P312 HydrophobicContact CG-CG 4.41Å
313	T	79.5	Confident	77.7	Confident	46 Å²	46	62.1 Å²	62.1	28%	0.282	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.5	-179.1	-54.5	0	0	0	0	110.3	W301 Y311	W301-T313 PolarHBondContact N-O 3.27Å; W301-T313 PolarHBondContact O-N 2.94Å; Y311-T313 PolarHBondContact O-N 3.46Å
314	K	86.7	Confident	78.7	Confident	124 Å²	124	62.2 Å²	62.2	54%	0.539	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.5	173.5	-171.9	178	-180	-179.3	0	109.8	L299 L300	L299-K314 CarbonylContact O-C 3.59Å; L299-K314 WeakPolarHBondContact O-CA 3.01Å; L300-K314 HydrophobicContact CD1-CB 4.37Å
315	S	87.5	Confident	79.5	Confident	4 Å²	4	65.3 Å²	65.3	3%	0.028	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.1	177.7	-62.1	0	0	0	0	110.6	L299 N338	L299-S315 PolarHBondContact N-O 3.21Å; L299-S315 PolarHBondContact O-N 2.91Å; S315-N338 WeakPolarHBondContact CA-O 3.41Å
316	L	92.3	Very high	80.5	Confident	49 Å²	49	64.1 Å²	64.1	26%	0.257	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.5	170.3	-67.6	172.5	0	0	0	108.5	E296 L297 S298 N338 K339 V340	E296-L316 HydrophobicContact CG-CD2 4.42Å; L297-L316 CarbonylContact O-C 3.5Å; L297-L316 VanDerWaalsContact O-CA 3.32Å; L297-L316 WeakPolarHBondContact O-CA 2.96Å; S298-L316 VanDerWaalsContact OG-CD2 3.32Å; S298-L316 WeakPolarHBondContact OG-CD2 3.28Å; L316-N338 PolarHBondContact N-O 3.25Å; L316-K339 HydrophobicContact CB-CB 4.05Å; L316-K339 HydrophobicContact CB-CG 3.93Å; L316-K339 HydrophobicContact CD1-CB 4.5Å; L316-K339 HydrophobicContact CD1-CD 4.37Å; L316-K339 CarbonylContact O-C 3.48Å; L316-K339 WeakPolarHBondContact O-CA 3.42Å; L316-V340 PolarHBondContact O-N 3.13Å
317	V	94.2	Very high	81	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.006	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.1	174.7	-179.5	0	0	0	0	108.8	E296 L297 L299 Y319 V340 Y342 L370	E296-V317 CarbonylContact C-O 3.51Å; E296-V317 WeakPolarHBondContact CA-O 3.43Å; L297-V317 HydrophobicContact CB-CB 4.47Å; L297-V317 PolarHBondContact N-O 3.4Å; L297-V317 PolarHBondContact O-N 2.97Å; L299-V317 HydrophobicContact CD1-CB 4.22Å; L299-V317 HydrophobicContact CD1-CG2 3.56Å; L299-V317 HydrophobicContact CG-CG2 4.41Å; V317-Y319 HydrophobicContact CG1-CE1 4.14Å; V317-Y319 HydrophobicContact CG1-CE2 3.99Å; V317-V340 CarbonylContact C-O 3.47Å; V317-V340 WeakPolarHBondContact CA-O 3.47Å; V317-Y342 HydrophobicContact CG1-CD2 4.06Å; V317-Y342 HydrophobicContact CG1-CE2 4.17Å; V317-L370 HydrophobicContact CG2-CD2 3.62Å; V317-L370 HydrophobicContact CG2-CG 4.41Å
318	V	95.5	Very high	81.8	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.018	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.3	-179.8	-179.8	0	0	0	0	109.9	Y294 I295 E296 N320 K339 V340 T341 Y342	Y294-V318 HydrophobicContact CD2-CG1 3.64Å; Y294-V318 HydrophobicContact CE2-CG1 4.37Å; Y294-V318 HydrophobicContact CG-CG1 4.06Å; I295-V318 CarbonylContact O-C 3.53Å; I295-V318 VanDerWaalsContact O-CA 3.28Å; I295-V318 WeakPolarHBondContact O-CA 3.22Å; E296-V318 HydrophobicContact CB-CG2 4.04Å; E296-V318 HydrophobicContact CG-CG2 3.9Å; V318-N320 HydrophobicContact CG1-CB 4.06Å; V318-K339 VanDerWaalsContact CG2-CE 3.43Å; V318-K339 HydrophobicContact CG2-CG 4.43Å; V318-V340 PolarHBondContact N-O 2.95Å; V318-T341 HydrophobicContact CB-CG2 4.13Å; V318-T341 HydrophobicContact CG1-CG2 4.13Å; V318-T341 CarbonylContact O-C 3.52Å; V318-T341 WeakPolarHBondContact O-CA 3.26Å; V318-Y342 PolarHBondContact O-N 3.46Å
319	Y	96.6	Very high	82.3	Confident	1 Å²	1	68.8 Å²	68.8	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	102.9	170	-59.9	-70	0	0	0	107.8	A173 L282 Y294 I295 L297 V317 Y342 M344 V362 R364 D369	A173-Y319 HydrophobicContact CB-CD1 3.97Å; L282-Y319 HydrophobicContact CD2-CE2 4.08Å; Y294-Y319 VanDerWaalsContact CA-O 3.27Å; Y294-Y319 WeakPolarHBondContact CA-O 3.25Å; Y294-Y319 VanDerWaalsContact CB-O 3.3Å; Y294-Y319 WeakPolarHBondContact CB-O 3.49Å; I295-Y319 PolarHBondContact N-O 3.44Å; I295-Y319 PolarHBondContact O-N 3.34Å; L297-Y319 HydrophobicContact CD1-CD2 3.68Å; L297-Y319 HydrophobicContact CD1-CE2 3.44Å; L297-Y319 VanDerWaalsContact CD1-CE2 3.44Å; V317-Y319 HydrophobicContact CG1-CE1 4.14Å; V317-Y319 HydrophobicContact CG1-CE2 3.99Å; Y319-Y342 HydrophobicContact CD1-CD2 4.26Å; Y319-Y342 HydrophobicContact CD1-CG 4.07Å; Y319-Y342 AromaticContact CE1-CD2 3.86Å; Y319-Y342 HydrophobicContact CE1-CD2 3.86Å; Y319-Y342 HydrophobicContact CE1-CE2 4.46Å; Y319-Y342 AromaticContact CE1-CG 3.95Å; Y319-Y342 HydrophobicContact CE1-CG 3.95Å; Y319-M344 VanDerWaalsContact CB-CE 3.48Å; Y319-M344 HydrophobicContact CG-CE 4.5Å; Y319-V362 HydrophobicContact CD2-CG1 4.22Å; Y319-V362 HydrophobicContact CG-CG1 4.28Å; Y319-R364 HydrophobicContact CE1-CG 3.92Å; Y319-R364 HydrophobicContact CE2-CG 3.99Å; Y319-R364 WeakPolarHBondContact OH-CG 3.02Å; Y319-D369 PolarHBondContact OH-OD2 3.01Å
320	N	95.6	Very high	83.1	Confident	23 Å²	23	63.4 Å²	63.4	12%	0.123	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.7	-167.3	-167.3	-28.7	0	0	0	112.2	V318 S322 T341 Y342 W343 M344	V318-N320 HydrophobicContact CG1-CB 4.06Å; N320-S322 PolarHBondContact ND2-OG 2.9Å; N320-S322 PolarHBondContact O-N 2.82Å; N320-S322 PolarHBondContact OD1-N 3.47Å; N320-S322 PolarHBondContact OD1-OG 3.03Å; N320-T341 HydrophobicContact CB-CG2 4.06Å; N320-Y342 PolarHBondContact N-O 3.42Å; N320-W343 HydrophobicContact CB-CE3 4.19Å; N320-W343 HydrophobicContact CB-CZ3 4.33Å; N320-M344 VanDerWaalsContact O-CB 3.25Å; N320-M344 WeakPolarHBondContact O-CB 3.13Å; N320-M344 WeakPolarHBondContact O-CG 3.03Å; N320-M344 PolarHBondContact O-N 3.32Å
321	C	95.1	Very high	84.3	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-72.8	62.3	171.9	-171.2	0	0	0	0	112.1	W289 G292 S293 C347	W289-C321 VanDerWaalsContact CD1-CB 3.44Å; G292-C321 PolarHBondContact N-O 3.36Å; S293-C321 VanDerWaalsContact O-CB 3.26Å; S293-C321 WeakPolarHBondContact O-CB 3.16Å; S293-C321 PolarHBondContact O-N 3.14Å; C321-C347 HydrophobicContact CB-CB 4.01Å; C321-C347 WeakPolarHBondContact CB-SG 3.42Å; C321-C347 WeakPolarHBondContact SG-CB 3.18Å; C321-C347 CovalentContact SG-SG 2.03Å; C321-C347 PolarHBondContact SG-SG 3.03Å
322	S	93.9	Very high	85.1	Confident	9 Å²	9	55.9 Å²	55.9	6%	0.063	29%	0.287	C	S	.	.	S	Bend	trans	-157.7	163.9	175.4	53.1	0	0	0	0	109.4	N320 W343 M344	N320-S322 PolarHBondContact ND2-OG 2.9Å; N320-S322 PolarHBondContact O-N 2.82Å; N320-S322 PolarHBondContact OD1-N 3.47Å; N320-S322 PolarHBondContact OD1-OG 3.03Å; S322-W343 WeakPolarHBondContact O-CB 3.43Å; S322-W343 VanDerWaalsContact OG-CE3 3.29Å; S322-W343 WeakPolarHBondContact OG-CZ3 3.41Å; S322-M344 CarbonylContact O-C 3.59Å; S322-M344 PolarHBondContact O-N 3.36Å
323	S	91.4	Very high	85.6	Confident	49 Å²	49	53.3 Å²	53.3	34%	0.343	27%	0.27	S	S	.	.			trans	-84.8	153.6	168.5	-62.1	0	0	0	0	110.7	P345 E348	S323-P345 WeakPolarHBondContact OG-CA 3.1Å; S323-P345 WeakPolarHBondContact OG-CB 3.3Å; S323-E348 VanDerWaalsContact CA-OE2 3.31Å; S323-E348 WeakPolarHBondContact CA-OE2 3.26Å; S323-E348 WeakPolarHBondContact CB-OE2 3.11Å; S323-E348 PolarHBondContact N-OE2 2.88Å; S323-E348 PolarHBondContact OG-OE2 3.33Å
324	S	88.9	Confident	85.7	Confident	18 Å²	18	53.3 Å²	53.3	13%	0.126	27%	0.268	C	S	.	.			trans	-55.9	135.8	171.4	173.8	0	0	0	0	111.7	I326 Q329	S324-I326 PolarHBondContact O-N 2.78Å; S324-I326 PolarHBondContact OG-N 3.29Å; S324-I326 VanDerWaalsContact OG-N 3.15Å; S324-I326 PolarHBondContact OG-O 3.3Å; S324-Q329 WeakPolarHBondContact CB-O 3.39Å; S324-Q329 PolarHBondContact OG-O 2.86Å
325	P	82.2	Confident	85.1	Confident	106 Å²	106	50 Å²	50	69%	0.688	26%	0.256	S	S	*	.	S	Bend	trans	-71.1	-17	173.1	29.3	-33.8	0	0	0	112.5	W343	P325-W343 HydrophobicContact CG-CH2 4.46Å; P325-W343 HydrophobicContact CG-CZ2 4.41Å
326	I	78.8	Confident	84.1	Confident	87 Å²	87	58.1 Å²	58.1	45%	0.446	29%	0.293	S	S	.	.	S	Bend	trans	-87.6	117.1	-176.5	-61.4	168.4	0	0	0	109.6	S324 H328 Q329 T333	S324-I326 PolarHBondContact O-N 2.78Å; S324-I326 PolarHBondContact OG-N 3.29Å; S324-I326 VanDerWaalsContact OG-N 3.15Å; S324-I326 PolarHBondContact OG-O 3.3Å; I326-H328 PolarHBondContact O-N 2.64Å; I326-Q329 HydrophobicContact CB-CB 4.28Å; I326-Q329 HydrophobicContact CG2-CB 4.26Å; I326-Q329 HydrophobicContact CG2-CG 4.13Å; I326-Q329 PolarHBondContact O-N 3.19Å; I326-Q329 VanDerWaalsContact O-N 3.17Å; I326-T333 HydrophobicContact CD1-CG2 4.37Å
327	R	67.8	Low	83	Confident	227 Å²	227	60 Å²	60	86%	0.857	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	129	172	-69.4	-174.5	-174.7	-176.1	2.2	109.5
328	H	67.1	Low	82.3	Confident	152 Å²	152	62.9 Å²	62.9	70%	0.704	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	-7	-178.9	-44	-65	0	0	0	118.1	I326	I326-H328 PolarHBondContact O-N 2.64Å
329	Q	66	Low	82	Confident	89 Å²	89	65.6 Å²	65.6	42%	0.416	33%	0.33	S	S	.	.			trans	-101.4	115.3	166.8	-73	179.8	-10.9	0	0	108.3	S324 I326 T333	S324-Q329 WeakPolarHBondContact CB-O 3.39Å; S324-Q329 PolarHBondContact OG-O 2.86Å; I326-Q329 HydrophobicContact CB-CB 4.28Å; I326-Q329 HydrophobicContact CG2-CB 4.26Å; I326-Q329 HydrophobicContact CG2-CG 4.13Å; I326-Q329 PolarHBondContact O-N 3.19Å; I326-Q329 VanDerWaalsContact O-N 3.17Å; Q329-T333 HydrophobicContact CB-CG2 3.99Å
330	T	73.1	Confident	81.7	Confident	67 Å²	67	65.6 Å²	65.6	41%	0.411	33%	0.33	S	S	.	.			trans	-107.2	-26.1	-169	48.5	0	0	0	0	114.9
331	Y	88.5	Confident	81.6	Confident	38 Å²	38	64.7 Å²	64.7	15%	0.149	33%	0.325	C	S	.	.	S	Bend	trans	-124.3	-31.1	-167.7	-60.3	-74.3	0	0	0	115.4	L170 A172 I179 Y342 W343 P345	L170-Y331 HydrophobicContact CD1-CG 4.22Å; A172-Y331 HydrophobicContact CB-CD1 4.22Å; A172-Y331 HydrophobicContact CB-CE1 4.31Å; I179-Y331 HydrophobicContact CB-CD2 4.38Å; I179-Y331 HydrophobicContact CB-CE2 4.42Å; I179-Y331 HydrophobicContact CD1-CD1 4.32Å; I179-Y331 HydrophobicContact CD1-CD2 4.28Å; I179-Y331 HydrophobicContact CD1-CE1 3.75Å; I179-Y331 HydrophobicContact CD1-CE2 3.72Å; I179-Y331 VanDerWaalsContact CD1-CZ 3.42Å; I179-Y331 HydrophobicContact CG1-CD1 4.12Å; I179-Y331 HydrophobicContact CG1-CD2 3.83Å; I179-Y331 HydrophobicContact CG1-CE1 4.06Å; I179-Y331 HydrophobicContact CG1-CE2 3.78Å; I179-Y331 HydrophobicContact CG1-CG 4Å; I179-Y331 HydrophobicContact CG2-CD2 3.85Å; I179-Y331 HydrophobicContact CG2-CE2 3.76Å; Y331-Y342 CarbonylContact O-C 3.41Å; Y331-Y342 WeakPolarHBondContact O-CA 3.45Å; Y331-W343 PolarHBondContact O-N 2.78Å; Y331-P345 HydrophobicContact CE1-CG 4.35Å
332	A	89.9	Confident	81.6	Confident	22 Å²	22	64.7 Å²	64.7	18%	0.182	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	146.2	176.5	0	0	0	0	0	112.5	L170 T341 Y342 V373	L170-A332 HydrophobicContact CD2-CB 3.64Å; A332-T341 CarbonylContact C-O 3.55Å; A332-T341 WeakPolarHBondContact CA-O 3.24Å; A332-Y342 HydrophobicContact CB-CD1 4.1Å; A332-Y342 HydrophobicContact CB-CE1 4.25Å; A332-Y342 HydrophobicContact CB-CG 4.35Å; A332-V373 HydrophobicContact CB-CG2 4.24Å
333	T	86.9	Confident	81.7	Confident	4 Å²	4	65.2 Å²	65.2	3%	0.025	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	141	179.2	60.6	0	0	0	0	111.4	I326 Q329 T341 W343	I326-T333 HydrophobicContact CD1-CG2 4.37Å; Q329-T333 HydrophobicContact CB-CG2 3.99Å; T333-T341 PolarHBondContact N-O 2.98Å; T333-T341 PolarHBondContact O-N 3.45Å; T333-W343 VanDerWaalsContact CG2-NE1 3.28Å; T333-W343 PolarHBondContact OG1-NE1 3.41Å
334	I	81.2	Confident	81.9	Confident	47 Å²	47	63 Å²	63	24%	0.241	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	127.4	169.7	-54.9	176.3	0	0	0	108.3	V340 V373 F374 H377	I334-V340 HydrophobicContact CG1-CG2 4.5Å; I334-V373 HydrophobicContact CD1-CG1 3.62Å; I334-V373 HydrophobicContact CG1-CG1 3.38Å; I334-F374 HydrophobicContact CD1-CD1 4.41Å; I334-H377 VanDerWaalsContact CD1-CD2 3.45Å; I334-H377 WeakPolarHBondContact CD1-CD2 3.22Å
335	I	73.8	Confident	82.1	Confident	55 Å²	55	64 Å²	64	28%	0.282	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.1	-179	-65.2	174.7	0	0	0	107.2	N337 K339 W343	I335-N337 VanDerWaalsContact C-N 3.33Å; I335-N337 PolarHBondContact O-N 2.77Å; I335-K339 PolarHBondContact N-O 3.48Å; I335-K339 WeakPolarHBondContact O-CA 3.36Å; I335-K339 VanDerWaalsContact O-CB 3.28Å; I335-K339 WeakPolarHBondContact O-CB 3.36Å; I335-K339 PolarHBondContact O-N 3.36Å; I335-K339 VanDerWaalsContact O-N 3.13Å; I335-K339 VanDerWaalsContact O-O 3.13Å; I335-W343 HydrophobicContact CD1-CZ2 4.36Å
336	H	68.4	Low	82.6	Confident	174 Å²	174	60.2 Å²	60.2	81%	0.806	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	49.1	175.9	-59.6	100.8	0	0	0	114.7	N338	H336-N338 PolarHBondContact O-N 3.08Å
337	N	67.9	Low	83.3	Confident	87 Å²	87	56.3 Å²	56.3	47%	0.465	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	-15.7	166.2	-66	9	0	0	0	118.6	I335 E382 Y383	I335-N337 VanDerWaalsContact C-N 3.33Å; I335-N337 PolarHBondContact O-N 2.77Å; N337-E382 WeakPolarHBondContact CB-OE1 3.48Å; N337-E382 PolarHBondContact ND2-OE1 2.83Å; N337-E382 PolarHBondContact ND2-OE2 2.76Å; N337-E382 PolarHBondContact OD1-OE1 2.98Å; N337-Y383 WeakPolarHBondContact O-CE1 3.3Å; N337-Y383 PolarHBondContact O-OH 3.21Å
338	N	80.2	Confident	84.6	Confident	62 Å²	62	46.6 Å²	46.6	33%	0.332	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-148.5	7.8	174.1	-80.9	-39.2	0	0	0	114.3	S315 L316 H336	S315-N338 WeakPolarHBondContact CA-O 3.41Å; L316-N338 PolarHBondContact N-O 3.25Å; H336-N338 PolarHBondContact O-N 3.08Å
339	K	88.8	Confident	85.8	Confident	60 Å²	60	44.4 Å²	44.4	26%	0.261	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.7	174.4	-177.8	173.2	-179.5	160.5	0	110.1	E296 L316 V318 I335	E296-K339 IonicContact OE2-NZ 3.37Å; E296-K339 PolarHBondContact OE2-NZ 2.9Å; L316-K339 HydrophobicContact CB-CB 4.05Å; L316-K339 HydrophobicContact CB-CG 3.93Å; L316-K339 HydrophobicContact CD1-CB 4.5Å; L316-K339 HydrophobicContact CD1-CD 4.37Å; L316-K339 CarbonylContact O-C 3.48Å; L316-K339 WeakPolarHBondContact O-CA 3.42Å; V318-K339 VanDerWaalsContact CG2-CE 3.43Å; V318-K339 HydrophobicContact CG2-CG 4.43Å; I335-K339 PolarHBondContact N-O 3.48Å; I335-K339 WeakPolarHBondContact O-CA 3.36Å; I335-K339 VanDerWaalsContact O-CB 3.28Å; I335-K339 WeakPolarHBondContact O-CB 3.36Å; I335-K339 PolarHBondContact O-N 3.36Å; I335-K339 VanDerWaalsContact O-N 3.13Å; I335-K339 VanDerWaalsContact O-O 3.13Å
340	V	90.7	Very high	87.1	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.7	174.3	177.6	0	0	0	0	108.4	L316 V317 V318 I334 Y342 V373 F374	L316-V340 PolarHBondContact O-N 3.13Å; V317-V340 CarbonylContact C-O 3.47Å; V317-V340 WeakPolarHBondContact CA-O 3.47Å; V318-V340 PolarHBondContact N-O 2.95Å; I334-V340 HydrophobicContact CG1-CG2 4.5Å; V340-Y342 HydrophobicContact CG1-CD2 3.86Å; V340-Y342 HydrophobicContact CG1-CE2 3.56Å; V340-V373 HydrophobicContact CB-CG1 4.4Å; V340-V373 HydrophobicContact CG1-CB 4.1Å; V340-V373 HydrophobicContact CG1-CG1 3.8Å; V340-V373 HydrophobicContact CG1-CG2 3.8Å; V340-V373 HydrophobicContact CG2-CB 4.33Å; V340-V373 HydrophobicContact CG2-CG1 3.71Å; V340-F374 HydrophobicContact CG2-CE1 4.42Å; V340-F374 HydrophobicContact CG2-CE2 4.04Å; V340-F374 HydrophobicContact CG2-CZ 3.82Å
341	T	93.4	Very high	88.1	Confident	4 Å²	4	39.5 Å²	39.5	3%	0.025	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.3	172.6	-55.2	0	0	0	0	109.2	V318 N320 A332 T333 W343	V318-T341 HydrophobicContact CB-CG2 4.13Å; V318-T341 HydrophobicContact CG1-CG2 4.13Å; V318-T341 CarbonylContact O-C 3.52Å; V318-T341 WeakPolarHBondContact O-CA 3.26Å; N320-T341 HydrophobicContact CB-CG2 4.06Å; A332-T341 CarbonylContact C-O 3.55Å; A332-T341 WeakPolarHBondContact CA-O 3.24Å; T333-T341 PolarHBondContact N-O 2.98Å; T333-T341 PolarHBondContact O-N 3.45Å; T341-W343 HydrophobicContact CG2-CD2 3.87Å; T341-W343 HydrophobicContact CG2-CE3 4.08Å; T341-W343 HydrophobicContact CG2-CH2 3.92Å; T341-W343 HydrophobicContact CG2-CZ2 3.66Å; T341-W343 HydrophobicContact CG2-CZ3 4.11Å
342	Y	95.4	Very high	88.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	119.9	165.7	-76.9	-98.9	0	0	0	109	L170 V317 V318 Y319 N320 Y331 A332 V340 D369 V373	L170-Y342 HydrophobicContact CB-CE1 4.32Å; L170-Y342 HydrophobicContact CD2-CE1 4.44Å; V317-Y342 HydrophobicContact CG1-CD2 4.06Å; V317-Y342 HydrophobicContact CG1-CE2 4.17Å; V318-Y342 PolarHBondContact O-N 3.46Å; Y319-Y342 HydrophobicContact CD1-CD2 4.26Å; Y319-Y342 HydrophobicContact CD1-CG 4.07Å; Y319-Y342 AromaticContact CE1-CD2 3.86Å; Y319-Y342 HydrophobicContact CE1-CD2 3.86Å; Y319-Y342 HydrophobicContact CE1-CE2 4.46Å; Y319-Y342 AromaticContact CE1-CG 3.95Å; Y319-Y342 HydrophobicContact CE1-CG 3.95Å; N320-Y342 PolarHBondContact N-O 3.42Å; Y331-Y342 CarbonylContact O-C 3.41Å; Y331-Y342 WeakPolarHBondContact O-CA 3.45Å; A332-Y342 HydrophobicContact CB-CD1 4.1Å; A332-Y342 HydrophobicContact CB-CE1 4.25Å; A332-Y342 HydrophobicContact CB-CG 4.35Å; V340-Y342 HydrophobicContact CG1-CD2 3.86Å; V340-Y342 HydrophobicContact CG1-CE2 3.56Å; Y342-D369 HydrophobicContact CE2-CB 4.12Å; Y342-D369 VanDerWaalsContact OH-C 3.3Å; Y342-D369 WeakPolarHBondContact OH-CA 3.42Å; Y342-D369 WeakPolarHBondContact OH-CB 3.15Å; Y342-D369 VanDerWaalsContact OH-CG 3.25Å; Y342-D369 PolarHBondContact OH-O 3.35Å; Y342-D369 PolarHBondContact OH-OD1 3.07Å; Y342-V373 HydrophobicContact CE2-CG2 4.21Å; Y342-V373 WeakPolarHBondContact OH-CG2 3.33Å
343	W	95.3	Very high	88.4	Confident	21 Å²	21	47.6 Å²	47.6	8%	0.08	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	146.4	179.7	-57.3	100.4	0	0	0	110	N320 S322 P325 Y331 T333 I335 T341 P345	N320-W343 HydrophobicContact CB-CE3 4.19Å; N320-W343 HydrophobicContact CB-CZ3 4.33Å; S322-W343 WeakPolarHBondContact O-CB 3.43Å; S322-W343 VanDerWaalsContact OG-CE3 3.29Å; S322-W343 WeakPolarHBondContact OG-CZ3 3.41Å; P325-W343 HydrophobicContact CG-CH2 4.46Å; P325-W343 HydrophobicContact CG-CZ2 4.41Å; Y331-W343 PolarHBondContact O-N 2.78Å; T333-W343 VanDerWaalsContact CG2-NE1 3.28Å; T333-W343 PolarHBondContact OG1-NE1 3.41Å; I335-W343 HydrophobicContact CD1-CZ2 4.36Å; T341-W343 HydrophobicContact CG2-CD2 3.87Å; T341-W343 HydrophobicContact CG2-CE3 4.08Å; T341-W343 HydrophobicContact CG2-CH2 3.92Å; T341-W343 HydrophobicContact CG2-CZ2 3.66Å; T341-W343 HydrophobicContact CG2-CZ3 4.11Å; W343-P345 WeakPolarHBondContact O-CD 3.35Å
344	M	95.7	Very high	88.6	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.01	25%	0.254	C	S	.	.			trans	-121.4	76.7	-178.4	-64.8	-175.4	-164.2	0	0	110	A173 D174 Y319 N320 S322 E346 C347 E348 I360 V362	A173-M344 HydrophobicContact CB-CE 3.92Å; A173-M344 HydrophobicContact CB-CG 3.8Å; D174-M344 HydrophobicContact CB-CB 3.76Å; D174-M344 HydrophobicContact CB-CG 3.88Å; D174-M344 HydrophobicContact CB-SD 4.17Å; D174-M344 WeakPolarHBondContact OD2-CA 3.32Å; D174-M344 WeakPolarHBondContact OD2-CB 3.49Å; Y319-M344 VanDerWaalsContact CB-CE 3.48Å; Y319-M344 HydrophobicContact CG-CE 4.5Å; N320-M344 VanDerWaalsContact O-CB 3.25Å; N320-M344 WeakPolarHBondContact O-CB 3.13Å; N320-M344 WeakPolarHBondContact O-CG 3.03Å; N320-M344 PolarHBondContact O-N 3.32Å; S322-M344 CarbonylContact O-C 3.59Å; S322-M344 PolarHBondContact O-N 3.36Å; M344-E346 VanDerWaalsContact C-N 3.26Å; M344-E346 PolarHBondContact O-N 3.34Å; M344-C347 HydrophobicContact CB-CB 3.54Å; M344-C347 WeakPolarHBondContact O-CB 3.11Å; M344-C347 PolarHBondContact O-N 3.18Å; M344-C347 HydrophobicContact SD-CB 4.17Å; M344-E348 PolarHBondContact O-N 3.1Å; M344-I360 HydrophobicContact CE-CD1 4.42Å; M344-I360 HydrophobicContact SD-CD1 3.74Å; M344-V362 HydrophobicContact CE-CG2 3.87Å
345	P	93	Very high	89	Confident	38 Å²	38	53.3 Å²	53.3	25%	0.247	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-30.8	-176.4	26.5	-35.2	0	0	0	113.2	D174 S323 Y331 W343 R349	D174-P345 WeakPolarHBondContact OD2-CD 3.46Å; S323-P345 WeakPolarHBondContact OG-CA 3.1Å; S323-P345 WeakPolarHBondContact OG-CB 3.3Å; Y331-P345 HydrophobicContact CE1-CG 4.35Å; W343-P345 WeakPolarHBondContact O-CD 3.35Å; P345-R349 WeakPolarHBondContact O-CB 3.43Å; P345-R349 PolarHBondContact O-N 3Å
346	E	91.9	Very high	89.9	Confident	28 Å²	28	53.7 Å²	53.7	13%	0.131	25%	0.251	C	S	.	.	H	α-helix	trans	-73.2	-37.8	175.9	178.4	60.6	-172.3	0	0	111.2	D174 E175 M344 E348 R349 Q350 K465	D174-E346 HydrophobicContact CB-CB 4.46Å; D174-E346 WeakPolarHBondContact OD2-CA 3.46Å; D174-E346 VanDerWaalsContact OD2-CB 3.25Å; D174-E346 WeakPolarHBondContact OD2-CB 3.37Å; D174-E346 PolarHBondContact OD2-N 3.49Å; E175-E346 HydrophobicContact CG-CB 4.12Å; E175-E346 HydrophobicContact CG-CG 4.35Å; M344-E346 VanDerWaalsContact C-N 3.26Å; M344-E346 PolarHBondContact O-N 3.34Å; E346-E348 VanDerWaalsContact C-N 3.33Å; E346-R349 PolarHBondContact O-N 3.21Å; E346-R349 IonicContact OE1-CZ 3.46Å; E346-R349 IonicContact OE1-NE 3.42Å; E346-R349 PolarHBondContact OE1-NE 3.4Å; E346-R349 IonicContact OE1-NH2 2.68Å; E346-R349 PolarHBondContact OE1-NH2 3.2Å; E346-R349 IonicContact OE2-CZ 3.69Å; E346-R349 IonicContact OE2-NE 2.87Å; E346-R349 PolarHBondContact OE2-NE 3.41Å; E346-R349 IonicContact OE2-NH2 3.64Å; E346-Q350 WeakPolarHBondContact O-CG 3.46Å; E346-Q350 PolarHBondContact O-N 3.39Å; E346-Q350 PolarHBondContact OE1-NE2 2.68Å; E346-K465 VanDerWaalsContact CG-NZ 3.3Å; E346-K465 WeakPolarHBondContact OE1-CE 3.41Å; E346-K465 IonicContact OE1-NZ 3.35Å; E346-K465 PolarHBondContact OE1-NZ 3.27Å; E346-K465 IonicContact OE2-NZ 3.75Å; E346-K465 PolarHBondContact OE2-NZ 3.47Å
347	C	94.6	Very high	91.1	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.027	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-46.3	172.4	-171.4	0	0	0	0	110.8	D174 C321 M344 R349 Q350 A351 V357	D174-C347 HydrophobicContact CB-CB 4.32Å; D174-C347 PolarHBondContact OD2-N 2.66Å; C321-C347 HydrophobicContact CB-CB 4.01Å; C321-C347 WeakPolarHBondContact CB-SG 3.42Å; C321-C347 WeakPolarHBondContact SG-CB 3.18Å; C321-C347 CovalentContact SG-SG 2.03Å; C321-C347 PolarHBondContact SG-SG 3.03Å; M344-C347 HydrophobicContact CB-CB 3.54Å; M344-C347 WeakPolarHBondContact O-CB 3.11Å; M344-C347 PolarHBondContact O-N 3.18Å; M344-C347 HydrophobicContact SD-CB 4.17Å; C347-R349 PolarHBondContact O-N 2.72Å; C347-Q350 PolarHBondContact O-N 3.46Å; C347-A351 WeakPolarHBondContact O-CB 3.18Å; C347-A351 PolarHBondContact O-N 3.25Å; C347-V357 HydrophobicContact CB-CG2 4.47Å; C347-V357 WeakPolarHBondContact O-CG2 3.23Å
348	E	94.1	Very high	92.2	Very high	23 Å²	23	45.8 Å²	45.8	11%	0.107	22%	0.215	C	C	.	.	H	α-helix	trans	-57.7	-49.4	174.1	173.8	173.3	-168.1	0	0	112.2	Y291 S323 M344 E346 Q350 A351 K352	Y291-E348 HydrophobicContact CD2-CB 4.23Å; Y291-E348 HydrophobicContact CD2-CG 3.73Å; Y291-E348 HydrophobicContact CE2-CB 4.38Å; Y291-E348 HydrophobicContact CE2-CG 3.65Å; S323-E348 VanDerWaalsContact CA-OE2 3.31Å; S323-E348 WeakPolarHBondContact CA-OE2 3.26Å; S323-E348 WeakPolarHBondContact CB-OE2 3.11Å; S323-E348 PolarHBondContact N-OE2 2.88Å; S323-E348 PolarHBondContact OG-OE2 3.33Å; M344-E348 PolarHBondContact O-N 3.1Å; E346-E348 VanDerWaalsContact C-N 3.33Å; E348-Q350 VanDerWaalsContact C-N 3.29Å; E348-Q350 PolarHBondContact O-N 3.16Å; E348-A351 PolarHBondContact O-N 2.92Å; E348-K352 HydrophobicContact CG-CD 3.78Å; E348-K352 HydrophobicContact CG-CG 4.15Å; E348-K352 WeakPolarHBondContact O-CB 3.25Å; E348-K352 WeakPolarHBondContact O-CG 3.49Å; E348-K352 PolarHBondContact O-N 3.24Å; E348-K352 WeakPolarHBondContact OE1-CE 3.46Å; E348-K352 IonicContact OE1-NZ 2.62Å; E348-K352 PolarHBondContact OE1-NZ 2.87Å
349	R	93.4	Very high	92.8	Very high	106 Å²	106	45.4 Å²	45.4	40%	0.4	22%	0.217	S	C	.	.	H	α-helix	trans	-57.8	-45.5	-176.4	-170.5	-165.7	68	71.6	0.3	110.7	P345 E346 C347 M353	P345-R349 WeakPolarHBondContact O-CB 3.43Å; P345-R349 PolarHBondContact O-N 3Å; E346-R349 PolarHBondContact O-N 3.21Å; E346-R349 IonicContact OE1-CZ 3.46Å; E346-R349 IonicContact OE1-NE 3.42Å; E346-R349 PolarHBondContact OE1-NE 3.4Å; E346-R349 IonicContact OE1-NH2 2.68Å; E346-R349 PolarHBondContact OE1-NH2 3.2Å; E346-R349 IonicContact OE2-CZ 3.69Å; E346-R349 IonicContact OE2-NE 2.87Å; E346-R349 PolarHBondContact OE2-NE 3.41Å; E346-R349 IonicContact OE2-NH2 3.64Å; C347-R349 PolarHBondContact O-N 2.72Å; R349-M353 VanDerWaalsContact O-CB 3.23Å; R349-M353 WeakPolarHBondContact O-CB 3.26Å; R349-M353 PolarHBondContact O-N 2.7Å
350	Q	93.2	Very high	93	Very high	53 Å²	53	42.9 Å²	42.9	25%	0.248	21%	0.206	C	C	.	.	H	α-helix	trans	-69	-47.2	177.8	-68.9	-177.3	13.3	0	0	111.8	E346 C347 E348 K352 M353 Y354 V357	E346-Q350 WeakPolarHBondContact O-CG 3.46Å; E346-Q350 PolarHBondContact O-N 3.39Å; E346-Q350 PolarHBondContact OE1-NE2 2.68Å; C347-Q350 PolarHBondContact O-N 3.46Å; E348-Q350 VanDerWaalsContact C-N 3.29Å; E348-Q350 PolarHBondContact O-N 3.16Å; Q350-K352 VanDerWaalsContact C-N 3.32Å; Q350-K352 PolarHBondContact O-N 2.76Å; Q350-M353 PolarHBondContact O-N 3.43Å; Q350-M353 VanDerWaalsContact O-N 3.11Å; Q350-Y354 HydrophobicContact CB-CD2 4.44Å; Q350-Y354 WeakPolarHBondContact O-CD2 3.2Å; Q350-Y354 PolarHBondContact O-N 3.02Å; Q350-V357 HydrophobicContact CB-CG2 3.9Å
351	A	92.8	Very high	93.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-38.3	179.6	0	0	0	0	0	112.8	C347 E348 G355 V357	C347-A351 WeakPolarHBondContact O-CB 3.18Å; C347-A351 PolarHBondContact O-N 3.25Å; E348-A351 PolarHBondContact O-N 2.92Å; A351-G355 CarbonylContact O-C 3.58Å; A351-G355 VanDerWaalsContact O-C 3.23Å; A351-G355 WeakPolarHBondContact O-CA 3.49Å; A351-G355 PolarHBondContact O-N 2.75Å; A351-V357 HydrophobicContact CB-CG2 4.05Å
352	K	91.7	Very high	93.3	Very high	117 Å²	117	46.2 Å²	46.2	51%	0.509	22%	0.221	S	C	.	.	H	α-helix	trans	-71	-32	175.1	-76.1	-174.8	169	177.8	0	113	Y291 E348 Q350	Y291-K352 HydrophobicContact CD2-CG 4.33Å; E348-K352 HydrophobicContact CG-CD 3.78Å; E348-K352 HydrophobicContact CG-CG 4.15Å; E348-K352 WeakPolarHBondContact O-CB 3.25Å; E348-K352 WeakPolarHBondContact O-CG 3.49Å; E348-K352 PolarHBondContact O-N 3.24Å; E348-K352 WeakPolarHBondContact OE1-CE 3.46Å; E348-K352 IonicContact OE1-NZ 2.62Å; E348-K352 PolarHBondContact OE1-NZ 2.87Å; Q350-K352 VanDerWaalsContact C-N 3.32Å; Q350-K352 PolarHBondContact O-N 2.76Å
353	M	93.2	Very high	93.3	Very high	113 Å²	113	46.3 Å²	46.3	56%	0.557	22%	0.222	S	C	*	.	H	α-helix	trans	-78.4	-40.1	-178.6	-177.7	173.7	-78.2	0	0	112.3	R349 Q350	R349-M353 VanDerWaalsContact O-CB 3.23Å; R349-M353 WeakPolarHBondContact O-CB 3.26Å; R349-M353 PolarHBondContact O-N 2.7Å; Q350-M353 PolarHBondContact O-N 3.43Å; Q350-M353 VanDerWaalsContact O-N 3.11Å
354	Y	91.8	Very high	93.3	Very high	152 Å²	152	45.4 Å²	45.4	60%	0.596	22%	0.218	S	C	*	.	H	α-helix	trans	-114.6	-4.6	-172.8	-55.8	-62.2	0	0	0	114.2	Q350 F356	Q350-Y354 HydrophobicContact CB-CD2 4.44Å; Q350-Y354 WeakPolarHBondContact O-CD2 3.2Å; Q350-Y354 PolarHBondContact O-N 3.02Å; Y354-F356 PolarHBondContact O-N 3.34Å
355	G	90.5	Very high	93.1	Very high	19 Å²	19	45.8 Å²	45.8	20%	0.196	22%	0.22	C	C	.	.	S	Bend	trans	85.6	-21.3	-172.5	0	0	0	0	0	114	A351	A351-G355 CarbonylContact O-C 3.58Å; A351-G355 VanDerWaalsContact O-C 3.23Å; A351-G355 WeakPolarHBondContact O-CA 3.49Å; A351-G355 PolarHBondContact O-N 2.75Å
356	F	92.6	Very high	93	Very high	64 Å²	64	44 Å²	44	28%	0.281	21%	0.209	S	C	.	.	S	Bend	trans	-155.1	169.3	178.9	63.5	-88.4	0	0	0	111.8	Q288 W289 Y354 D358	Q288-F356 VanDerWaalsContact OE1-CG 3.24Å; W289-F356 CarbonylContact O-C 3.45Å; W289-F356 WeakPolarHBondContact O-CA 2.98Å; Y354-F356 PolarHBondContact O-N 3.34Å; F356-D358 HydrophobicContact CE2-CB 4.16Å
357	V	92.5	Very high	92.6	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.03	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-106.6	118.8	168.4	-179	0	0	0	0	108.7	Q288 W289 C347 Q350 A351 S359 I360	Q288-V357 CarbonylContact C-O 3.57Å; Q288-V357 WeakPolarHBondContact CA-O 3.19Å; Q288-V357 PolarHBondContact N-O 2.75Å; W289-V357 HydrophobicContact CB-CB 4.21Å; W289-V357 PolarHBondContact N-O 3.41Å; W289-V357 PolarHBondContact O-N 2.77Å; C347-V357 HydrophobicContact CB-CG2 4.47Å; C347-V357 WeakPolarHBondContact O-CG2 3.23Å; Q350-V357 HydrophobicContact CB-CG2 3.9Å; A351-V357 HydrophobicContact CB-CG2 4.05Å; V357-S359 WeakPolarHBondContact CG1-O 3.33Å; V357-S359 PolarHBondContact O-N 3.46Å; V357-I360 HydrophobicContact CG1-CB 4.46Å
358	D	91.2	Very high	92.2	Very high	90 Å²	90	44.4 Å²	44.4	48%	0.481	21%	0.209	S	C	.	.	S	Bend	trans	-63.3	-40.1	-175.4	-179.1	60.6	0	0	0	112.7	R287 F356	R287-D358 WeakPolarHBondContact CA-O 3.34Å; R287-D358 WeakPolarHBondContact CB-O 3.44Å; R287-D358 WeakPolarHBondContact CG-O 3.45Å; F356-D358 HydrophobicContact CE2-CB 4.16Å
359	S	92	Very high	92	Very high	53 Å²	53	43.4 Å²	43.4	37%	0.371	20%	0.204	S	C	.	.			trans	-140.3	123.1	177.4	-172.1	0	0	0	0	111.2	G286 V357	G286-S359 WeakPolarHBondContact O-CA 3.33Å; V357-S359 WeakPolarHBondContact CG1-O 3.33Å; V357-S359 PolarHBondContact O-N 3.46Å
360	I	93.8	Very high	91.6	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.036	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131	174.3	-167	171.3	0	0	0	109.6	M284 I285 G286 W289 M344 V357 V362	M284-I360 HydrophobicContact CE-CG2 3.84Å; M284-I360 HydrophobicContact SD-CG2 4.43Å; I285-I360 WeakPolarHBondContact CA-O 3.32Å; G286-I360 PolarHBondContact N-O 3Å; G286-I360 PolarHBondContact O-N 3.4Å; W289-I360 HydrophobicContact CB-CB 4.39Å; W289-I360 HydrophobicContact CB-CD1 4.39Å; W289-I360 HydrophobicContact CB-CG2 3.9Å; W289-I360 HydrophobicContact CD2-CD1 4.25Å; W289-I360 HydrophobicContact CD2-CG2 4.04Å; W289-I360 HydrophobicContact CE3-CG2 3.91Å; W289-I360 HydrophobicContact CG-CD1 3.94Å; W289-I360 HydrophobicContact CG-CG2 4.06Å; M344-I360 HydrophobicContact CE-CD1 4.42Å; M344-I360 HydrophobicContact SD-CD1 3.74Å; V357-I360 HydrophobicContact CG1-CB 4.46Å; I360-V362 HydrophobicContact CG1-CG2 4.35Å
361	K	95.1	Very high	90.9	Very high	75 Å²	75	36.2 Å²	36.2	33%	0.326	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	111.4	-179.4	-62.7	174.6	-170.9	168.2	0	109.4	M284 I285 I454	M284-K361 CarbonylContact O-C 3.43Å; M284-K361 WeakPolarHBondContact O-CA 3.17Å; I285-K361 HydrophobicContact CG1-CG 4.35Å; I285-K361 HydrophobicContact CG2-CG 4.29Å; K361-I454 HydrophobicContact CB-CG2 4.18Å; K361-I454 HydrophobicContact CD-CG2 4.45Å
362	V	95.2	Very high	90.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	95.5	177.9	177.1	0	0	0	0	108.1	I283 M284 Y319 M344 I360 R364	I283-V362 CarbonylContact C-O 3.57Å; I283-V362 VanDerWaalsContact CA-O 3.31Å; I283-V362 WeakPolarHBondContact CA-O 3.41Å; M284-V362 HydrophobicContact CB-CB 4.28Å; M284-V362 HydrophobicContact CE-CB 3.91Å; M284-V362 HydrophobicContact CE-CG2 3.57Å; M284-V362 PolarHBondContact N-O 3.29Å; M284-V362 PolarHBondContact O-N 3.01Å; Y319-V362 HydrophobicContact CD2-CG1 4.22Å; Y319-V362 HydrophobicContact CG-CG1 4.28Å; M344-V362 HydrophobicContact CE-CG2 3.87Å; I360-V362 HydrophobicContact CG1-CG2 4.35Å; V362-R364 HydrophobicContact CG1-CG 3.57Å
363	A	95.4	Very high	90.1	Very high	3 Å²	3	32.4 Å²	32.4	3%	0.025	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	111.5	175.9	0	0	0	0	0	109.4	L282 F451 I454 R455	L282-A363 CarbonylContact O-C 3.24Å; L282-A363 WeakPolarHBondContact O-CA 3.43Å; A363-F451 HydrophobicContact CB-CD2 3.97Å; A363-F451 HydrophobicContact CB-CE2 4.37Å; A363-I454 HydrophobicContact CB-CB 3.98Å; A363-I454 HydrophobicContact CB-CD1 4.12Å; A363-I454 HydrophobicContact CB-CG2 3.57Å; A363-R455 PolarHBondContact O-NH1 2.71Å; A363-R455 PolarHBondContact O-NH2 3.11Å
364	R	94.5	Very high	89.3	Confident	1 Å²	1	27.3 Å²	27.3	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.7	-164.6	-49.2	-57.4	-50.3	174.8	-6.4	111.7	I171 A172 Y281 L282 Y319 V362 L366 D369	I171-R364 PolarHBondContact O-NH1 3.42Å; I171-R364 PolarHBondContact O-NH2 2.91Å; A172-R364 PolarHBondContact O-NH1 3.36Å; A172-R364 VanDerWaalsContact O-NH1 3.09Å; Y281-R364 VanDerWaalsContact CA-O 3.25Å; Y281-R364 WeakPolarHBondContact CA-O 3.39Å; L282-R364 HydrophobicContact CB-CB 4.43Å; L282-R364 PolarHBondContact N-O 3.2Å; L282-R364 PolarHBondContact O-N 3.35Å; Y319-R364 HydrophobicContact CE1-CG 3.92Å; Y319-R364 HydrophobicContact CE2-CG 3.99Å; Y319-R364 WeakPolarHBondContact OH-CG 3.02Å; V362-R364 HydrophobicContact CG1-CG 3.57Å; R364-L366 HydrophobicContact CB-CD2 4.35Å; R364-D369 IonicContact CZ-OD1 3.62Å; R364-D369 IonicContact CZ-OD2 2.71Å; R364-D369 IonicContact NE-OD1 2.7Å; R364-D369 IonicContact NE-OD2 3.62Å; R364-D369 PolarHBondContact NE-OD2 2.88Å; R364-D369 IonicContact NH2-OD1 2.74Å; R364-D369 PolarHBondContact NH2-OD1 3.14Å; R364-D369 IonicContact NH2-OD2 3.72Å; R364-D369 PolarHBondContact NH2-OD2 3.37Å
365	D	92.1	Very high	88.5	Confident	10 Å²	10	23.2 Å²	23.2	5%	0.053	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	104.1	161	174.7	-22.3	0	0	0	107.3	D280 Y281 Y367 T368 D369 F451	D280-D365 WeakPolarHBondContact O-CA 3.38Å; Y281-D365 HydrophobicContact CD1-CB 4.37Å; Y281-D365 HydrophobicContact CE1-CB 4.28Å; D365-Y367 VanDerWaalsContact C-N 3.33Å; D365-Y367 PolarHBondContact O-N 3.48Å; D365-Y367 PolarHBondContact OD1-N 2.82Å; D365-T368 VanDerWaalsContact CG-CB 3.4Å; D365-T368 PolarHBondContact O-N 2.79Å; D365-T368 WeakPolarHBondContact OD1-CB 3.47Å; D365-T368 PolarHBondContact OD1-N 2.84Å; D365-T368 PolarHBondContact OD1-OG1 3.02Å; D365-T368 WeakPolarHBondContact OD2-CB 2.98Å; D365-T368 PolarHBondContact OD2-OG1 3.37Å; D365-D369 WeakPolarHBondContact O-CB 3.34Å; D365-D369 PolarHBondContact O-N 2.76Å; D365-F451 HydrophobicContact CB-CZ 4.21Å
366	L	90.6	Very high	87.7	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-64.4	-38.6	-170.4	-63.3	179	0	0	0	112	D280 L282 L297 L299 R364 L370 V404 V406	D280-L366 PolarHBondContact O-N 3.37Å; L282-L366 HydrophobicContact CB-CD2 3.95Å; L282-L366 HydrophobicContact CB-CG 4.39Å; L297-L366 HydrophobicContact CD2-CD2 3.87Å; L299-L366 HydrophobicContact CD2-CD1 4.49Å; R364-L366 HydrophobicContact CB-CD2 4.35Å; L366-L370 WeakPolarHBondContact O-CG 3.38Å; L366-L370 PolarHBondContact O-N 2.87Å; L366-V404 HydrophobicContact CB-CG1 4.4Å; L366-V406 HydrophobicContact CD1-CG2 3.5Å; L366-V406 VanDerWaalsContact CD1-CG2 3.5Å
367	Y	84.2	Confident	86.8	Confident	39 Å²	39	27.7 Å²	27.7	15%	0.153	14%	0.143	C	C	.	.	H	α-helix	trans	-66	-49.9	176.2	175.4	-97.8	0	0	0	110.6	D365 D369 L370 M371 S402 V404	D365-Y367 VanDerWaalsContact C-N 3.33Å; D365-Y367 PolarHBondContact O-N 3.48Å; D365-Y367 PolarHBondContact OD1-N 2.82Å; Y367-D369 VanDerWaalsContact C-N 3.29Å; Y367-D369 PolarHBondContact O-N 3.17Å; Y367-L370 PolarHBondContact O-N 3.29Å; Y367-M371 HydrophobicContact CD1-CG 3.99Å; Y367-M371 HydrophobicContact CD2-CE 4.5Å; Y367-M371 HydrophobicContact CD2-CG 4.19Å; Y367-M371 HydrophobicContact CE1-CG 3.54Å; Y367-M371 HydrophobicContact CE2-CE 4.12Å; Y367-M371 HydrophobicContact CE2-CG 3.74Å; Y367-M371 HydrophobicContact CE2-SD 3.92Å; Y367-M371 HydrophobicContact CG-CG 4.31Å; Y367-M371 VanDerWaalsContact CZ-CG 3.43Å; Y367-M371 VanDerWaalsContact O-CG 3.28Å; Y367-M371 WeakPolarHBondContact O-CG 3.1Å; Y367-M371 PolarHBondContact O-N 3.35Å; Y367-S402 WeakPolarHBondContact CE2-OG 3.23Å; Y367-S402 PolarHBondContact OH-OG 3.36Å; Y367-S402 VanDerWaalsContact OH-OG 3.06Å; Y367-V404 HydrophobicContact CD2-CG2 4.14Å
368	T	86.4	Confident	85.5	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-60.4	-41.2	179.6	-65.7	0	0	0	0	111.1	E163 K164 D365 M371 K372	E163-T368 HydrophobicContact CG-CG2 3.83Å; K164-T368 VanDerWaalsContact CE-OG1 3.25Å; K164-T368 WeakPolarHBondContact CE-OG1 3.38Å; D365-T368 VanDerWaalsContact CG-CB 3.4Å; D365-T368 PolarHBondContact O-N 2.79Å; D365-T368 WeakPolarHBondContact OD1-CB 3.47Å; D365-T368 PolarHBondContact OD1-N 2.84Å; D365-T368 PolarHBondContact OD1-OG1 3.02Å; D365-T368 WeakPolarHBondContact OD2-CB 2.98Å; D365-T368 PolarHBondContact OD2-OG1 3.37Å; T368-M371 PolarHBondContact O-N 3.49Å; T368-K372 HydrophobicContact CG2-CG 3.83Å; T368-K372 WeakPolarHBondContact O-CB 3.43Å; T368-K372 VanDerWaalsContact O-CG 3.24Å; T368-K372 WeakPolarHBondContact O-CG 3.3Å; T368-K372 PolarHBondContact O-N 3.26Å
369	D	89.7	Confident	84.2	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.011	17%	0.171	C	C	.	.	H	α-helix	trans	-60.2	-48.8	178.6	-88.3	-21.6	0	0	0	112.6	Y319 Y342 R364 D365 Y367 M371 K372 V373	Y319-D369 PolarHBondContact OH-OD2 3.01Å; Y342-D369 HydrophobicContact CE2-CB 4.12Å; Y342-D369 VanDerWaalsContact OH-C 3.3Å; Y342-D369 WeakPolarHBondContact OH-CA 3.42Å; Y342-D369 WeakPolarHBondContact OH-CB 3.15Å; Y342-D369 VanDerWaalsContact OH-CG 3.25Å; Y342-D369 PolarHBondContact OH-O 3.35Å; Y342-D369 PolarHBondContact OH-OD1 3.07Å; R364-D369 IonicContact CZ-OD1 3.62Å; R364-D369 IonicContact CZ-OD2 2.71Å; R364-D369 IonicContact NE-OD1 2.7Å; R364-D369 IonicContact NE-OD2 3.62Å; R364-D369 PolarHBondContact NE-OD2 2.88Å; R364-D369 IonicContact NH2-OD1 2.74Å; R364-D369 PolarHBondContact NH2-OD1 3.14Å; R364-D369 IonicContact NH2-OD2 3.72Å; R364-D369 PolarHBondContact NH2-OD2 3.37Å; D365-D369 WeakPolarHBondContact O-CB 3.34Å; D365-D369 PolarHBondContact O-N 2.76Å; Y367-D369 VanDerWaalsContact C-N 3.29Å; Y367-D369 PolarHBondContact O-N 3.17Å; D369-M371 VanDerWaalsContact C-N 3.34Å; D369-M371 PolarHBondContact O-N 3.05Å; D369-K372 PolarHBondContact O-N 2.78Å; D369-V373 PolarHBondContact O-N 2.89Å
370	L	84.4	Confident	82.5	Confident	2 Å²	2	35 Å²	35	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-58.3	-48.2	174.1	-69.1	170	0	0	0	111	L299 V317 L366 Y367 K372 V373 F374 V404	L299-L370 HydrophobicContact CD1-CD1 3.85Å; L299-L370 HydrophobicContact CD1-CD2 4.18Å; L299-L370 HydrophobicContact CD1-CG 4.16Å; V317-L370 HydrophobicContact CG2-CD2 3.62Å; V317-L370 HydrophobicContact CG2-CG 4.41Å; L366-L370 WeakPolarHBondContact O-CG 3.38Å; L366-L370 PolarHBondContact O-N 2.87Å; Y367-L370 PolarHBondContact O-N 3.29Å; L370-K372 PolarHBondContact O-N 3.4Å; L370-V373 PolarHBondContact O-N 3.26Å; L370-F374 HydrophobicContact CB-CD2 4.29Å; L370-F374 HydrophobicContact CD2-CD2 4.33Å; L370-F374 HydrophobicContact CD2-CE2 3.74Å; L370-F374 WeakPolarHBondContact O-CB 3.35Å; L370-F374 WeakPolarHBondContact O-CD2 3.29Å; L370-F374 PolarHBondContact O-N 3.07Å; L370-V404 HydrophobicContact CD1-CG1 4.06Å; L370-V404 HydrophobicContact CD1-CG2 3.74Å
371	M	79.7	Confident	80.7	Confident	6 Å²	6	40.3 Å²	40.3	3%	0.03	20%	0.204	C	C	.	.	H	α-helix	trans	-64.2	-42.5	-176.4	-68.3	-52.2	97.9	0	0	112.3	Y367 T368 D369 V373 F374 Y375 M389 L391	Y367-M371 HydrophobicContact CD1-CG 3.99Å; Y367-M371 HydrophobicContact CD2-CE 4.5Å; Y367-M371 HydrophobicContact CD2-CG 4.19Å; Y367-M371 HydrophobicContact CE1-CG 3.54Å; Y367-M371 HydrophobicContact CE2-CE 4.12Å; Y367-M371 HydrophobicContact CE2-CG 3.74Å; Y367-M371 HydrophobicContact CE2-SD 3.92Å; Y367-M371 HydrophobicContact CG-CG 4.31Å; Y367-M371 VanDerWaalsContact CZ-CG 3.43Å; Y367-M371 VanDerWaalsContact O-CG 3.28Å; Y367-M371 WeakPolarHBondContact O-CG 3.1Å; Y367-M371 PolarHBondContact O-N 3.35Å; T368-M371 PolarHBondContact O-N 3.49Å; D369-M371 VanDerWaalsContact C-N 3.34Å; D369-M371 PolarHBondContact O-N 3.05Å; M371-V373 VanDerWaalsContact C-N 3.25Å; M371-V373 PolarHBondContact O-N 3.32Å; M371-F374 PolarHBondContact O-N 2.95Å; M371-Y375 WeakPolarHBondContact O-CB 3.2Å; M371-Y375 PolarHBondContact O-N 3.24Å; M371-M389 HydrophobicContact CE-CE 3.68Å; M371-M389 HydrophobicContact CE-SD 4.44Å; M371-M389 HydrophobicContact SD-CE 3.57Å; M371-M389 VanDerWaalsContact SD-CE 3.57Å; M371-M389 HydrophobicContact SD-SD 3.66Å; M371-M389 VanDerWaalsContact SD-SD 3.66Å; M371-L391 HydrophobicContact CB-CD1 3.95Å; M371-L391 HydrophobicContact CG-CD1 4.49Å
372	K	86	Confident	78.6	Confident	22 Å²	22	41.5 Å²	41.5	10%	0.096	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-33.6	-179	-74.7	-61.7	-173.8	179.9	0	112.7	E163 R165 V168 K169 T368 D369 L370 P376	E163-K372 WeakPolarHBondContact O-CE 3.49Å; E163-K372 PolarHBondContact O-NZ 3.26Å; R165-K372 PolarHBondContact O-NZ 3.2Å; V168-K372 WeakPolarHBondContact O-CE 3.4Å; V168-K372 PolarHBondContact O-NZ 2.97Å; K169-K372 WeakPolarHBondContact O-CB 3.34Å; T368-K372 HydrophobicContact CG2-CG 3.83Å; T368-K372 WeakPolarHBondContact O-CB 3.43Å; T368-K372 VanDerWaalsContact O-CG 3.24Å; T368-K372 WeakPolarHBondContact O-CG 3.3Å; T368-K372 PolarHBondContact O-N 3.26Å; D369-K372 PolarHBondContact O-N 2.78Å; L370-K372 PolarHBondContact O-N 3.4Å; K372-P376 WeakPolarHBondContact O-CD 3.48Å
373	V	81.2	Confident	76.7	Confident	15 Å²	15	42.3 Å²	42.3	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-84.2	-41.9	179.7	174.7	0	0	0	0	112.4	A332 I334 V340 Y342 D369 L370 M371 P376 H377	A332-V373 HydrophobicContact CB-CG2 4.24Å; I334-V373 HydrophobicContact CD1-CG1 3.62Å; I334-V373 HydrophobicContact CG1-CG1 3.38Å; V340-V373 HydrophobicContact CB-CG1 4.4Å; V340-V373 HydrophobicContact CG1-CB 4.1Å; V340-V373 HydrophobicContact CG1-CG1 3.8Å; V340-V373 HydrophobicContact CG1-CG2 3.8Å; V340-V373 HydrophobicContact CG2-CB 4.33Å; V340-V373 HydrophobicContact CG2-CG1 3.71Å; Y342-V373 HydrophobicContact CE2-CG2 4.21Å; Y342-V373 WeakPolarHBondContact OH-CG2 3.33Å; D369-V373 PolarHBondContact O-N 2.89Å; L370-V373 PolarHBondContact O-N 3.26Å; M371-V373 VanDerWaalsContact C-N 3.25Å; M371-V373 PolarHBondContact O-N 3.32Å; V373-P376 WeakPolarHBondContact O-CD 3.5Å; V373-H377 PolarHBondContact O-CD2 2.88Å
374	F	77.3	Confident	74.6	Confident	7 Å²	7	44.6 Å²	44.6	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-83.2	-29.7	-176.7	-72.1	-62.4	0	0	0	114.4	I334 V340 L370 M371 P376 H377 R378 Y383 L386	I334-F374 HydrophobicContact CD1-CD1 4.41Å; V340-F374 HydrophobicContact CG2-CE1 4.42Å; V340-F374 HydrophobicContact CG2-CE2 4.04Å; V340-F374 HydrophobicContact CG2-CZ 3.82Å; L370-F374 HydrophobicContact CB-CD2 4.29Å; L370-F374 HydrophobicContact CD2-CD2 4.33Å; L370-F374 HydrophobicContact CD2-CE2 3.74Å; L370-F374 WeakPolarHBondContact O-CB 3.35Å; L370-F374 WeakPolarHBondContact O-CD2 3.29Å; L370-F374 PolarHBondContact O-N 3.07Å; M371-F374 PolarHBondContact O-N 2.95Å; F374-P376 VanDerWaalsContact C-CD 3.47Å; F374-H377 WeakPolarHBondContact O-CA 3.44Å; F374-H377 PolarHBondContact O-N 3.28Å; F374-R378 PolarHBondContact O-N 2.8Å; F374-Y383 HydrophobicContact CD1-CD1 4.06Å; F374-Y383 AromaticContact CD1-CE1 3.77Å; F374-Y383 HydrophobicContact CD1-CE1 3.77Å; F374-Y383 HydrophobicContact CE1-CD1 4.32Å; F374-Y383 AromaticContact CE1-CE1 3.65Å; F374-Y383 HydrophobicContact CE1-CE1 3.65Å; F374-L386 HydrophobicContact CB-CD1 3.56Å; F374-L386 HydrophobicContact CD1-CD1 4.08Å; F374-L386 HydrophobicContact CG-CD1 3.87Å
375	Y	74.5	Confident	72.6	Confident	65 Å²	65	46.4 Å²	46.4	26%	0.255	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-56.8	-38	-175.7	-176	-103.3	0	0	0	114.8	M371 H377 R378 M389	M371-Y375 WeakPolarHBondContact O-CB 3.2Å; M371-Y375 PolarHBondContact O-N 3.24Å; Y375-H377 PolarHBondContact O-N 3.02Å; Y375-R378 WeakPolarHBondContact O-CB 3.16Å; Y375-R378 WeakPolarHBondContact O-CD 3.46Å; Y375-R378 VanDerWaalsContact O-CG 3.23Å; Y375-R378 WeakPolarHBondContact O-CG 2.84Å; Y375-R378 PolarHBondContact O-N 2.97Å; Y375-R378 PolarHBondContact O-NH1 3.44Å; Y375-R378 PolarHBondContact OH-NH2 3.2Å; Y375-R378 VanDerWaalsContact OH-NH2 3.17Å; Y375-M389 HydrophobicContact CD2-CB 4.36Å
376	P	74.1	Confident	70.7	Confident	89 Å²	89	46.6 Å²	46.6	58%	0.578	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-60.5	-29.2	171.9	-25	35.7	0	0	0	114	K372 V373 F374	K372-P376 WeakPolarHBondContact O-CD 3.48Å; V373-P376 WeakPolarHBondContact O-CD 3.5Å; F374-P376 VanDerWaalsContact C-CD 3.47Å
377	H	72.2	Confident	68.6	Low	89 Å²	89	49.7 Å²	49.7	41%	0.412	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-95.3	2.3	-176.6	-61.3	-86.8	0	0	0	114.1	I334 V373 F374 Y375 K379 S380 Y383	I334-H377 VanDerWaalsContact CD1-CD2 3.45Å; I334-H377 WeakPolarHBondContact CD1-CD2 3.22Å; V373-H377 PolarHBondContact O-CD2 2.88Å; F374-H377 WeakPolarHBondContact O-CA 3.44Å; F374-H377 PolarHBondContact O-N 3.28Å; Y375-H377 PolarHBondContact O-N 3.02Å; H377-K379 PolarHBondContact O-N 3.3Å; H377-S380 WeakPolarHBondContact O-CB 3.46Å; H377-S380 PolarHBondContact O-N 3.26Å; H377-S380 PolarHBondContact O-OG 3.47Å; H377-Y383 HydrophobicContact CB-CD2 3.45Å; H377-Y383 VanDerWaalsContact CB-CD2 3.45Å; H377-Y383 HydrophobicContact CB-CE2 3.8Å; H377-Y383 HydrophobicContact CB-CG 4.38Å
378	R	66.3	Low	66.9	Low	70 Å²	70	53 Å²	53	26%	0.264	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-18.5	-175.9	76.1	-179.1	178.1	-92.4	12.6	116.3	F374 Y375 L386 S387	F374-R378 PolarHBondContact O-N 2.8Å; Y375-R378 WeakPolarHBondContact O-CB 3.16Å; Y375-R378 WeakPolarHBondContact O-CD 3.46Å; Y375-R378 VanDerWaalsContact O-CG 3.23Å; Y375-R378 WeakPolarHBondContact O-CG 2.84Å; Y375-R378 PolarHBondContact O-N 2.97Å; Y375-R378 PolarHBondContact O-NH1 3.44Å; Y375-R378 PolarHBondContact OH-NH2 3.2Å; Y375-R378 VanDerWaalsContact OH-NH2 3.17Å; R378-L386 HydrophobicContact CB-CB 4.47Å; R378-S387 WeakPolarHBondContact O-CB 3.22Å
379	K	63.4	Low	65.2	Low	191 Å²	191	54 Å²	54	83%	0.83	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-13.7	177.6	-70.3	-169.7	178.6	-175.5	0	113.4	H377	H377-K379 PolarHBondContact O-N 3.3Å
380	S	57.5	Low	63.3	Low	41 Å²	41	62.2 Å²	62.2	29%	0.287	34%	0.335	S	S	.	.	S	Bend	trans	-68	147	175.3	71.1	0	0	0	0	109.8	H377 E382 Y383 A384	H377-S380 WeakPolarHBondContact O-CB 3.46Å; H377-S380 PolarHBondContact O-N 3.26Å; H377-S380 PolarHBondContact O-OG 3.47Å; S380-E382 PolarHBondContact O-N 3.08Å; S380-Y383 CarbonylContact O-C 3.48Å; S380-Y383 PolarHBondContact O-N 3.02Å; S380-Y383 WeakPolarHBondContact OG-CB 3.37Å; S380-Y383 WeakPolarHBondContact OG-CD2 3.26Å; S380-Y383 PolarHBondContact OG-N 2.86Å; S380-Y383 VanDerWaalsContact OG-N 3.16Å; S380-A384 PolarHBondContact O-N 3.39Å; S380-A384 VanDerWaalsContact O-N 3.1Å
381	S	55.2	Low	61.6	Low	118 Å²	118	63.3 Å²	63.3	83%	0.825	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-57.5	-32.1	173.3	48.9	0	0	0	0	112	Y383 A384	S381-Y383 VanDerWaalsContact C-N 3.33Å; S381-Y383 PolarHBondContact O-N 2.9Å; S381-A384 WeakPolarHBondContact O-CB 3.25Å; S381-A384 PolarHBondContact O-N 2.89Å
382	E	50.1	Low	60	Low	99 Å²	99	65.6 Å²	65.6	46%	0.463	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-65.6	-33.8	179.6	-151.7	-172.6	118.2	0	0	113.2	N337 S380	N337-E382 WeakPolarHBondContact CB-OE1 3.48Å; N337-E382 PolarHBondContact ND2-OE1 2.83Å; N337-E382 PolarHBondContact ND2-OE2 2.76Å; N337-E382 PolarHBondContact OD1-OE1 2.98Å; S380-E382 PolarHBondContact O-N 3.08Å
383	Y	56.5	Low	57.7	Low	18 Å²	18	69.5 Å²	69.5	7%	0.071	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-112.1	25	178.4	-58.7	-61.8	0	0	0	112.2	N337 F374 H377 S380 S381 G385 L386	N337-Y383 WeakPolarHBondContact O-CE1 3.3Å; N337-Y383 PolarHBondContact O-OH 3.21Å; F374-Y383 HydrophobicContact CD1-CD1 4.06Å; F374-Y383 AromaticContact CD1-CE1 3.77Å; F374-Y383 HydrophobicContact CD1-CE1 3.77Å; F374-Y383 HydrophobicContact CE1-CD1 4.32Å; F374-Y383 AromaticContact CE1-CE1 3.65Å; F374-Y383 HydrophobicContact CE1-CE1 3.65Å; H377-Y383 HydrophobicContact CB-CD2 3.45Å; H377-Y383 VanDerWaalsContact CB-CD2 3.45Å; H377-Y383 HydrophobicContact CB-CE2 3.8Å; H377-Y383 HydrophobicContact CB-CG 4.38Å; S380-Y383 CarbonylContact O-C 3.48Å; S380-Y383 PolarHBondContact O-N 3.02Å; S380-Y383 WeakPolarHBondContact OG-CB 3.37Å; S380-Y383 WeakPolarHBondContact OG-CD2 3.26Å; S380-Y383 PolarHBondContact OG-N 2.86Å; S380-Y383 VanDerWaalsContact OG-N 3.16Å; S381-Y383 VanDerWaalsContact C-N 3.33Å; S381-Y383 PolarHBondContact O-N 2.9Å; Y383-G385 PolarHBondContact O-N 2.81Å; Y383-L386 HydrophobicContact CD1-CD1 3.79Å; Y383-L386 HydrophobicContact CG-CD1 4.08Å; Y383-L386 WeakPolarHBondContact O-CA 3.46Å; Y383-L386 WeakPolarHBondContact O-CB 3.48Å; Y383-L386 WeakPolarHBondContact O-CG 3.4Å; Y383-L386 PolarHBondContact O-N 3.39Å
384	A	51	Low	55.6	Low	50 Å²	50	73.2 Å²	73.2	41%	0.413	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-60.2	-30.8	-175.9	0	0	0	0	0	112.9	S380 S381 L386 S387	S380-A384 PolarHBondContact O-N 3.39Å; S380-A384 VanDerWaalsContact O-N 3.1Å; S381-A384 WeakPolarHBondContact O-CB 3.25Å; S381-A384 PolarHBondContact O-N 2.89Å; A384-L386 PolarHBondContact O-N 3.28Å; A384-S387 VanDerWaalsContact O-CB 3.26Å; A384-S387 WeakPolarHBondContact O-CB 3.26Å; A384-S387 PolarHBondContact O-N 3.28Å; A384-S387 PolarHBondContact O-OG 2.87Å
385	G	53	Low	53.7	Low	40 Å²	40	77.4 Å²	77.4	41%	0.412	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-62.9	-17.4	171.8	0	0	0	0	0	114.1	Y383	Y383-G385 PolarHBondContact O-N 2.81Å
386	L	52.4	Low	51.8	Low	13 Å²	13	80.4 Å²	80.4	7%	0.068	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-92	-5.8	177.2	-45.3	-170.9	0	0	0	112.3	W301 F374 R378 Y383 A384 I388 M389	W301-L386 HydrophobicContact CE3-CD2 3.95Å; W301-L386 HydrophobicContact CH2-CD2 3.34Å; W301-L386 HydrophobicContact CZ2-CD2 4.25Å; W301-L386 HydrophobicContact CZ3-CD2 3.17Å; F374-L386 HydrophobicContact CB-CD1 3.56Å; F374-L386 HydrophobicContact CD1-CD1 4.08Å; F374-L386 HydrophobicContact CG-CD1 3.87Å; R378-L386 HydrophobicContact CB-CB 4.47Å; Y383-L386 HydrophobicContact CD1-CD1 3.79Å; Y383-L386 HydrophobicContact CG-CD1 4.08Å; Y383-L386 WeakPolarHBondContact O-CA 3.46Å; Y383-L386 WeakPolarHBondContact O-CB 3.48Å; Y383-L386 WeakPolarHBondContact O-CG 3.4Å; Y383-L386 PolarHBondContact O-N 3.39Å; A384-L386 PolarHBondContact O-N 3.28Å; L386-I388 VanDerWaalsContact C-N 3.29Å; L386-I388 PolarHBondContact O-N 2.94Å; L386-M389 HydrophobicContact CB-CE 3.61Å; L386-M389 HydrophobicContact CB-CG 4.49Å; L386-M389 HydrophobicContact CB-SD 3.6Å; L386-M389 VanDerWaalsContact CB-SD 3.6Å; L386-M389 HydrophobicContact CD1-CE 4.31Å; L386-M389 HydrophobicContact CD2-CE 3.36Å; L386-M389 HydrophobicContact CG-CE 3.91Å; L386-M389 HydrophobicContact CG-SD 4.47Å; L386-M389 VanDerWaalsContact O-CB 3.22Å; L386-M389 WeakPolarHBondContact O-CB 3.35Å; L386-M389 WeakPolarHBondContact O-CG 3.43Å; L386-M389 PolarHBondContact O-N 2.98Å
387	S	46.7	Very low	50.2	Low	67 Å²	67	81.6 Å²	81.6	47%	0.469	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.2	-176.2	64.2	0	0	0	0	114.4	R378 A384 M389	R378-S387 WeakPolarHBondContact O-CB 3.22Å; A384-S387 VanDerWaalsContact O-CB 3.26Å; A384-S387 WeakPolarHBondContact O-CB 3.26Å; A384-S387 PolarHBondContact O-N 3.28Å; A384-S387 PolarHBondContact O-OG 2.87Å; S387-M389 PolarHBondContact O-N 2.96Å
388	I	47.6	Very low	49	Very low	109 Å²	109	81.4 Å²	81.4	56%	0.559	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-3.9	179.3	-53.6	172.5	0	0	0	111.6	L386	L386-I388 VanDerWaalsContact C-N 3.29Å; L386-I388 PolarHBondContact O-N 2.94Å
389	M	50.5	Low	48.1	Very low	21 Å²	21	87.7 Å²	87.7	10%	0.103	49%	0.492	C	S	.	.			trans	-71.1	130	-174.3	-68.8	173.7	169.3	0	0	114.2	W301 M371 Y375 L386 S387	W301-M389 HydrophobicContact CH2-CE 3.37Å; W301-M389 HydrophobicContact CZ2-CE 3.16Å; W301-M389 HydrophobicContact CZ3-CE 4.28Å; M371-M389 HydrophobicContact CE-CE 3.68Å; M371-M389 HydrophobicContact CE-SD 4.44Å; M371-M389 HydrophobicContact SD-CE 3.57Å; M371-M389 VanDerWaalsContact SD-CE 3.57Å; M371-M389 HydrophobicContact SD-SD 3.66Å; M371-M389 VanDerWaalsContact SD-SD 3.66Å; Y375-M389 HydrophobicContact CD2-CB 4.36Å; L386-M389 HydrophobicContact CB-CE 3.61Å; L386-M389 HydrophobicContact CB-CG 4.49Å; L386-M389 HydrophobicContact CB-SD 3.6Å; L386-M389 VanDerWaalsContact CB-SD 3.6Å; L386-M389 HydrophobicContact CD1-CE 4.31Å; L386-M389 HydrophobicContact CD2-CE 3.36Å; L386-M389 HydrophobicContact CG-CE 3.91Å; L386-M389 HydrophobicContact CG-SD 4.47Å; L386-M389 VanDerWaalsContact O-CB 3.22Å; L386-M389 WeakPolarHBondContact O-CB 3.35Å; L386-M389 WeakPolarHBondContact O-CG 3.43Å; L386-M389 PolarHBondContact O-N 2.98Å; S387-M389 PolarHBondContact O-N 2.96Å
390	K	50.8	Low	47.5	Very low	175 Å²	175	82.4 Å²	82.4	76%	0.761	47%	0.474	S	S	*	.			trans	-106.2	134.9	152.9	-70.3	-178.8	-179.3	176	0	107.8	S392	K390-S392 PolarHBondContact O-N 3.39Å
391	L	48.3	Very low	47.7	Very low	25 Å²	25	85 Å²	85	13%	0.131	48%	0.483	C	S	.	.			trans	-70.1	73.7	160.1	-163.5	70.4	0	0	0	106.3	K164 M371 N393	K164-L391 HydrophobicContact CB-CD2 4.46Å; K164-L391 HydrophobicContact CB-CG 4.43Å; K164-L391 WeakPolarHBondContact O-CD2 3.45Å; M371-L391 HydrophobicContact CB-CD1 3.95Å; M371-L391 HydrophobicContact CG-CD1 4.49Å; L391-N393 PolarHBondContact O-N 3.47Å
392	S	44.6	Very low	48.3	Very low	54 Å²	54	80.5 Å²	80.5	38%	0.378	45%	0.452	S	S	.	.			trans	-65.5	125.6	-175.1	167.2	0	0	0	0	109.1	K390 T394	K390-S392 PolarHBondContact O-N 3.39Å; S392-T394 VanDerWaalsContact C-N 3.28Å; S392-T394 PolarHBondContact OG-N 3.14Å; S392-T394 VanDerWaalsContact OG-N 3.1Å; S392-T394 PolarHBondContact OG-O 2.71Å; S392-T394 PolarHBondContact OG-OG1 3.38Å
393	N	39.3	Very low	49.5	Very low	103 Å²	103	78 Å²	78	55%	0.551	44%	0.44	S	S	*	.			trans	-81.4	-8.4	167.5	-82	-30.4	0	0	0	112.3	L391	L391-N393 PolarHBondContact O-N 3.47Å
394	T	35.4	Very low	50.7	Low	94 Å²	94	77.3 Å²	77.3	58%	0.577	44%	0.438	S	S	*	.			trans	-98.3	114.1	-169.1	45.9	0	0	0	0	111.2	S392 N396	S392-T394 VanDerWaalsContact C-N 3.28Å; S392-T394 PolarHBondContact OG-N 3.14Å; S392-T394 VanDerWaalsContact OG-N 3.1Å; S392-T394 PolarHBondContact OG-O 2.71Å; S392-T394 PolarHBondContact OG-OG1 3.38Å; T394-N396 PolarHBondContact O-N 3.22Å; T394-N396 VanDerWaalsContact O-N 3.07Å
395	V	39.3	Very low	52.4	Low	94 Å²	94	76 Å²	76	57%	0.57	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-3.2	177.4	177.6	0	0	0	0	113.2
396	N	34.3	Very low	54.2	Low	128 Å²	128	74.1 Å²	74.1	68%	0.684	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-2.7	-163.3	-72.2	-7.4	0	0	0	116.9	T394 A398	T394-N396 PolarHBondContact O-N 3.22Å; T394-N396 VanDerWaalsContact O-N 3.07Å; N396-A398 VanDerWaalsContact C-N 3.3Å; N396-A398 PolarHBondContact O-N 2.89Å; N396-A398 VanDerWaalsContact O-N 3.17Å
397	D	40.2	Very low	56.1	Low	114 Å²	114	76 Å²	76	61%	0.61	41%	0.414	S	S	*	.			trans	-89.8	60.4	174.6	-97	-26.3	0	0	0	111.7	K399 N400 L401	D397-K399 PolarHBondContact O-N 2.84Å; D397-N400 PolarHBondContact O-N 2.86Å; D397-L401 WeakPolarHBondContact O-CD2 3.34Å; D397-L401 VanDerWaalsContact O-CG 3.23Å; D397-L401 WeakPolarHBondContact O-CG 3.32Å
398	A	46.5	Very low	58.3	Low	85 Å²	85	75.4 Å²	75.4	70%	0.702	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20	-175.8	0	0	0	0	0	114.6	N396	N396-A398 VanDerWaalsContact C-N 3.3Å; N396-A398 PolarHBondContact O-N 2.89Å; N396-A398 VanDerWaalsContact O-N 3.17Å
399	K	47.5	Very low	60.5	Low	202 Å²	202	70.2 Å²	70.2	88%	0.878	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-21.4	-175	-73.7	-175.1	176.7	-179.7	0	115	D397	D397-K399 PolarHBondContact O-N 2.84Å
400	N	51.4	Low	62.6	Low	81 Å²	81	69.4 Å²	69.4	43%	0.433	37%	0.372	S	S	.	.	S	Bend	trans	-136.4	48.9	-173.4	-77.6	-16.7	0	0	0	112.2	P304 V305 D397	P304-N400 HydrophobicContact CB-CB 4.5Å; P304-N400 WeakPolarHBondContact CB-O 3.38Å; V305-N400 VanDerWaalsContact O-CG 3.31Å; V305-N400 PolarHBondContact O-ND2 3.12Å; V305-N400 VanDerWaalsContact O-ND2 3.16Å; V305-N400 PolarHBondContact O-OD1 2.8Å; D397-N400 PolarHBondContact O-N 2.86Å
401	L	61.2	Low	64.6	Low	94 Å²	94	61.1 Å²	61.1	49%	0.492	34%	0.336	S	S	.	.			trans	-83.5	129.6	179.4	-64.6	172.2	0	0	0	111.1	D397	D397-L401 WeakPolarHBondContact O-CD2 3.34Å; D397-L401 VanDerWaalsContact O-CG 3.23Å; D397-L401 WeakPolarHBondContact O-CG 3.32Å
402	S	68.8	Low	66.7	Low	25 Å²	25	61.4 Å²	61.4	18%	0.175	34%	0.336	C	S	.	.			trans	-64.2	139.3	161.8	50.2	0	0	0	0	110.2	Y302 Y367	Y302-S402 WeakPolarHBondContact O-CA 3.36Å; Y302-S402 WeakPolarHBondContact O-CB 3.46Å; Y367-S402 WeakPolarHBondContact CE2-OG 3.23Å; Y367-S402 PolarHBondContact OH-OG 3.36Å; Y367-S402 VanDerWaalsContact OH-OG 3.06Å
403	H	74.5	Confident	68.9	Low	46 Å²	46	59.2 Å²	59.2	21%	0.213	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	166.6	176.3	71.6	-97.3	0	0	0	111.9	E278 Y302	E278-H403 HydrophobicContact CG-CB 4.41Å; E278-H403 IonicContact OE1-CE1 3.32Å; Y302-H403 AromaticContact CD1-CE1 3.87Å; Y302-H403 AromaticContact CD1-NE2 3.98Å; Y302-H403 AromaticContact CD2-CD2 3.53Å; Y302-H403 AromaticContact CD2-CE1 3.64Å; Y302-H403 AromaticContact CD2-NE2 3.05Å; Y302-H403 WeakPolarHBondContact CD2-NE2 3.39Å; Y302-H403 AromaticContact CE2-NE2 3.46Å; Y302-H403 WeakPolarHBondContact CE2-NE2 3.46Å; Y302-H403 AromaticContact CG-CE1 3.39Å; Y302-H403 AromaticContact CG-NE2 3.34Å; Y302-H403 VanDerWaalsContact CG-NE2 3.34Å; Y302-H403 PolarHBondContact N-O 3.44Å; Y302-H403 PolarHBondContact O-N 2.86Å
404	V	82	Confident	71.3	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.024	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.1	179.2	180	0	0	0	0	109.1	E278 W279 L299 L366 Y367 L370	E278-V404 WeakPolarHBondContact CA-O 3.38Å; W279-V404 PolarHBondContact N-O 2.94Å; W279-V404 VanDerWaalsContact N-O 3.16Å; L299-V404 HydrophobicContact CB-CG1 4.1Å; L299-V404 HydrophobicContact CD1-CG1 4.09Å; L299-V404 HydrophobicContact CD2-CG1 4.15Å; L299-V404 HydrophobicContact CG-CG1 4.34Å; L366-V404 HydrophobicContact CB-CG1 4.4Å; Y367-V404 HydrophobicContact CD2-CG2 4.14Å; L370-V404 HydrophobicContact CD1-CG1 4.06Å; L370-V404 HydrophobicContact CD1-CG2 3.74Å
405	Q	85.9	Confident	73.3	Confident	23 Å²	23	54 Å²	54	11%	0.107	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133	171	-178.8	-175.6	4.6	0	0	109.9	L299 L300 Y302 L407	L299-Q405 CarbonylContact C-O 3.53Å; L299-Q405 VanDerWaalsContact CA-O 3.3Å; L299-Q405 WeakPolarHBondContact CA-O 3.38Å; L300-Q405 HydrophobicContact CB-CB 4.3Å; L300-Q405 PolarHBondContact N-O 3.17Å; L300-Q405 PolarHBondContact O-N 3.25Å; Y302-Q405 HydrophobicContact CE2-CB 4.18Å; Y302-Q405 PolarHBondContact OH-OE1 3.07Å; Q405-L407 HydrophobicContact CG-CD2 4.18Å
406	V	90.9	Very high	75.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	111.3	171.8	-177	0	0	0	0	108.6	P274 W279 L297 L299 L366 I409 L428	P274-V406 HydrophobicContact CG-CB 4.45Å; P274-V406 HydrophobicContact CG-CG1 4.09Å; W279-V406 HydrophobicContact CB-CG2 4.01Å; W279-V406 HydrophobicContact CG-CG2 4.28Å; L297-V406 HydrophobicContact CD2-CG1 4.5Å; L299-V406 HydrophobicContact CD2-CB 4.23Å; L299-V406 HydrophobicContact CD2-CG1 4.34Å; L299-V406 HydrophobicContact CD2-CG2 3.78Å; L366-V406 HydrophobicContact CD1-CG2 3.5Å; L366-V406 VanDerWaalsContact CD1-CG2 3.5Å; V406-I409 HydrophobicContact CG1-CD1 4.1Å; V406-I409 HydrophobicContact CG1-CG1 3.7Å; V406-L428 HydrophobicContact CB-CD1 4.31Å; V406-L428 HydrophobicContact CG1-CD1 4.4Å; V406-L428 HydrophobicContact CG2-CD1 4.39Å; V406-L428 HydrophobicContact CG2-CD2 4.14Å
407	L	91.8	Very high	77.4	Confident	53 Å²	53	53.3 Å²	53.3	28%	0.277	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-38.8	177.9	-57.5	179.2	0	0	0	112	S298 L300 Q405	S298-L407 WeakPolarHBondContact O-CA 3.36Å; S298-L407 WeakPolarHBondContact O-CB 3.24Å; S298-L407 PolarHBondContact O-N 3.41Å; L300-L407 HydrophobicContact CB-CD1 4.08Å; L300-L407 HydrophobicContact CB-CD2 4.09Å; L300-L407 HydrophobicContact CB-CG 4.09Å; L300-L407 HydrophobicContact CD2-CD2 4.48Å; Q405-L407 HydrophobicContact CG-CD2 4.18Å
408	K	93.5	Very high	79.2	Confident	53 Å²	53	54.1 Å²	54.1	23%	0.23	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	144.6	-173.8	-159	179.2	-171.4	-150.7	0	111.1	S271 I272 I273 L297 S298 N410	S271-K408 WeakPolarHBondContact OG-CE 3.29Å; S271-K408 PolarHBondContact OG-NZ 3.17Å; I272-K408 CarbonylContact O-C 3.53Å; I272-K408 WeakPolarHBondContact O-CA 3.39Å; I273-K408 HydrophobicContact CG1-CG 4.19Å; L297-K408 CarbonylContact C-O 3.57Å; L297-K408 WeakPolarHBondContact CA-O 3.43Å; S298-K408 PolarHBondContact N-O 3.1Å; S298-K408 PolarHBondContact O-N 2.86Å; K408-N410 VanDerWaalsContact CD-OD1 3.3Å; K408-N410 WeakPolarHBondContact CD-OD1 3.46Å; K408-N410 WeakPolarHBondContact CE-OD1 3.45Å; K408-N410 PolarHBondContact NZ-OD1 3.11Å
409	I	94.4	Very high	81	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	116.3	170.4	-52.7	169.9	0	0	0	107.6	L232 S271 I272 L282 I295 E296 L297 V406 F411 L428	L232-I409 HydrophobicContact CD1-CD1 3.43Å; L232-I409 VanDerWaalsContact CD1-CD1 3.43Å; S271-I409 CarbonylContact C-O 3.5Å; S271-I409 WeakPolarHBondContact CA-O 3.31Å; I272-I409 HydrophobicContact CB-CB 4.32Å; I272-I409 PolarHBondContact N-O 2.8Å; I272-I409 PolarHBondContact O-N 3.05Å; L282-I409 HydrophobicContact CD1-CD1 4.06Å; I295-I409 HydrophobicContact CG2-CG2 3.85Å; E296-I409 CarbonylContact O-C 3.49Å; E296-I409 WeakPolarHBondContact O-CA 3.29Å; L297-I409 HydrophobicContact CD2-CG1 4.49Å; L297-I409 HydrophobicContact CG-CG1 4.42Å; V406-I409 HydrophobicContact CG1-CD1 4.1Å; V406-I409 HydrophobicContact CG1-CG1 3.7Å; I409-F411 HydrophobicContact CG2-CD2 4.35Å; I409-F411 HydrophobicContact CG2-CE2 3.68Å; I409-F411 HydrophobicContact CG2-CZ 4.23Å; I409-L428 HydrophobicContact CD1-CD1 4.28Å; I409-L428 HydrophobicContact CD1-CD2 4.37Å
410	N	93.8	Very high	82.8	Confident	5 Å²	5	46 Å²	46	3%	0.027	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.2	178.1	-60.1	-48.2	0	0	0	110	Q268 L270 I295 E296 K408 Y412	Q268-N410 PolarHBondContact NE2-OD1 2.95Å; Q268-N410 VanDerWaalsContact NE2-OD1 3.17Å; L270-N410 CarbonylContact O-C 3.55Å; L270-N410 WeakPolarHBondContact O-CA 3.24Å; I295-N410 CarbonylContact C-O 3.58Å; I295-N410 WeakPolarHBondContact CA-O 3.46Å; E296-N410 HydrophobicContact CB-CB 4.3Å; E296-N410 PolarHBondContact N-O 3.06Å; E296-N410 PolarHBondContact O-N 3.16Å; E296-N410 PolarHBondContact OE1-ND2 2.93Å; K408-N410 VanDerWaalsContact CD-OD1 3.3Å; K408-N410 WeakPolarHBondContact CD-OD1 3.46Å; K408-N410 WeakPolarHBondContact CE-OD1 3.45Å; K408-N410 PolarHBondContact NZ-OD1 3.11Å; N410-Y412 HydrophobicContact CB-CD2 4.1Å; N410-Y412 HydrophobicContact CB-CE2 3.41Å; N410-Y412 VanDerWaalsContact CB-CE2 3.41Å
411	F	93.4	Very high	84.7	Confident	1 Å²	1	42.1 Å²	42.1	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.4	171.3	-69.3	-100.8	0	0	0	109.2	L258 A269 L270 I272 M284 W289 I295 I409 I423 L426	L258-F411 HydrophobicContact CD1-CB 4.02Å; L258-F411 HydrophobicContact CD1-CD1 4.22Å; L258-F411 HydrophobicContact CD1-CG 4.23Å; A269-F411 PolarHBondContact N-O 3.37Å; L270-F411 HydrophobicContact CB-CB 4.17Å; L270-F411 HydrophobicContact CB-CD2 4.19Å; L270-F411 HydrophobicContact CD2-CD2 3.72Å; L270-F411 HydrophobicContact CD2-CE2 4.03Å; L270-F411 HydrophobicContact CD2-CG 4.4Å; L270-F411 HydrophobicContact CG-CD2 3.91Å; L270-F411 PolarHBondContact N-O 3.43Å; L270-F411 PolarHBondContact O-N 3.31Å; I272-F411 HydrophobicContact CD1-CE2 4.27Å; M284-F411 HydrophobicContact CG-CE1 4.41Å; W289-F411 AromaticContact CH2-CD1 3.91Å; W289-F411 HydrophobicContact CH2-CD1 3.91Å; W289-F411 HydrophobicContact CH2-CE1 4.23Å; W289-F411 HydrophobicContact CZ3-CD1 4.41Å; I295-F411 HydrophobicContact CD1-CE1 3.94Å; I295-F411 HydrophobicContact CG1-CD1 3.96Å; I295-F411 HydrophobicContact CG1-CE1 3.75Å; I295-F411 HydrophobicContact CG1-CZ 4.49Å; I295-F411 HydrophobicContact CG2-CE1 4.43Å; I295-F411 HydrophobicContact CG2-CZ 4.41Å; I409-F411 HydrophobicContact CG2-CD2 4.35Å; I409-F411 HydrophobicContact CG2-CE2 3.68Å; I409-F411 HydrophobicContact CG2-CZ 4.23Å; F411-I423 HydrophobicContact CD1-CD1 3.65Å; F411-I423 HydrophobicContact CE1-CD1 3.31Å; F411-I423 HydrophobicContact CE1-CG1 4.28Å; F411-I423 HydrophobicContact CE2-CD1 4.28Å; F411-I423 HydrophobicContact CG-CD1 4.28Å; F411-I423 HydrophobicContact CZ-CD1 3.67Å; F411-L426 HydrophobicContact CE2-CD2 3.92Å; F411-L426 HydrophobicContact CZ-CD1 3.96Å; F411-L426 HydrophobicContact CZ-CD2 3.77Å
412	Y	92.4	Very high	86.1	Confident	30 Å²	30	39 Å²	39	12%	0.118	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.8	176.9	-62.3	-99.8	0	0	0	109.4	G267 Q268 S293 Y294 E296 N410	G267-Y412 CarbonylContact O-C 3.53Å; G267-Y412 VanDerWaalsContact O-CA 3.26Å; G267-Y412 WeakPolarHBondContact O-CA 2.88Å; Q268-Y412 HydrophobicContact CB-CD1 3.79Å; Q268-Y412 HydrophobicContact CB-CE1 3.69Å; Q268-Y412 HydrophobicContact CG-CD1 4.36Å; Q268-Y412 HydrophobicContact CG-CE1 4.07Å; S293-Y412 CarbonylContact C-O 3.23Å; S293-Y412 VanDerWaalsContact CA-O 3.31Å; S293-Y412 WeakPolarHBondContact CA-O 3.49Å; S293-Y412 WeakPolarHBondContact CB-O 3.46Å; Y294-Y412 AromaticContact CD2-CD2 3.63Å; Y294-Y412 HydrophobicContact CD2-CD2 3.63Å; Y294-Y412 HydrophobicContact CD2-CE2 4.32Å; Y294-Y412 HydrophobicContact CD2-CG 4.18Å; Y294-Y412 VanDerWaalsContact CE1-CB 3.49Å; Y294-Y412 HydrophobicContact CE1-CD1 4.47Å; Y294-Y412 HydrophobicContact CE1-CD2 4.27Å; Y294-Y412 AromaticContact CE1-CG 3.88Å; Y294-Y412 HydrophobicContact CE1-CG 3.88Å; Y294-Y412 HydrophobicContact CE2-CD1 4.29Å; Y294-Y412 AromaticContact CE2-CD2 3Å; Y294-Y412 HydrophobicContact CE2-CD2 3Å; Y294-Y412 AromaticContact CE2-CE2 3.44Å; Y294-Y412 HydrophobicContact CE2-CE2 3.44Å; Y294-Y412 VanDerWaalsContact CE2-CE2 3.44Å; Y294-Y412 AromaticContact CE2-CG 3.48Å; Y294-Y412 HydrophobicContact CE2-CG 3.48Å; Y294-Y412 VanDerWaalsContact CE2-CG 3.48Å; Y294-Y412 HydrophobicContact CG-CD2 4.47Å; Y294-Y412 VanDerWaalsContact CZ-CB 3.46Å; Y294-Y412 AromaticContact CZ-CD1 3.8Å; Y294-Y412 AromaticContact CZ-CD2 3.38Å; Y294-Y412 AromaticContact CZ-CE2 3.91Å; Y294-Y412 AromaticContact CZ-CG 3.27Å; Y294-Y412 PolarHBondContact N-O 3.13Å; Y294-Y412 PolarHBondContact O-N 2.99Å; Y294-Y412 VanDerWaalsContact OH-CD1 3.28Å; Y294-Y412 WeakPolarHBondContact OH-CD1 3.27Å; Y294-Y412 VanDerWaalsContact OH-CG 3.28Å; E296-Y412 HydrophobicContact CB-CE2 3.98Å; E296-Y412 PolarHBondContact OE1-OH 3.02Å; E296-Y412 VanDerWaalsContact OE1-OH 3.14Å; N410-Y412 HydrophobicContact CB-CD2 4.1Å; N410-Y412 HydrophobicContact CB-CE2 3.41Å; N410-Y412 VanDerWaalsContact CB-CE2 3.41Å
413	I	90.3	Very high	87.3	Confident	8 Å²	8	37.8 Å²	37.8	4%	0.041	19%	0.193	C	C	.	.			trans	-119.1	130.8	-175.1	-54.4	-172.4	0	0	0	108.9	L258 V260 L263 G267 A269 S293 A415 I421	L258-I413 HydrophobicContact CB-CD1 3.41Å; L258-I413 VanDerWaalsContact CB-CD1 3.41Å; L258-I413 HydrophobicContact CD1-CD1 4.04Å; L258-I413 HydrophobicContact CG-CD1 4.39Å; V260-I413 HydrophobicContact CG2-CG2 3.97Å; L263-I413 HydrophobicContact CD1-CB 4.06Å; L263-I413 HydrophobicContact CD1-CG2 4.36Å; L263-I413 HydrophobicContact CD2-CB 3.89Å; L263-I413 HydrophobicContact CD2-CD1 4.31Å; L263-I413 HydrophobicContact CD2-CG1 4.23Å; G267-I413 PolarHBondContact O-N 2.95Å; A269-I413 HydrophobicContact CB-CD1 3.67Å; A269-I413 HydrophobicContact CB-CG1 3.88Å; S293-I413 WeakPolarHBondContact OG-CA 3.5Å; I413-A415 PolarHBondContact O-N 3.41Å; I413-I421 HydrophobicContact CB-CD1 4.41Å; I413-I421 HydrophobicContact CD1-CB 4.13Å; I413-I421 HydrophobicContact CD1-CD1 4.01Å; I413-I421 HydrophobicContact CD1-CG1 4.13Å; I413-I421 HydrophobicContact CG1-CD1 3.92Å; I413-I421 HydrophobicContact CG2-CD1 3.92Å; I413-I421 HydrophobicContact CG2-CG1 4.34Å
414	N	88.9	Confident	88.1	Confident	44 Å²	44	37.3 Å²	37.3	24%	0.235	19%	0.191	C	C	.	.			trans	-78.6	110.8	168.2	-175.6	-0.8	0	0	0	109.9	Y291 S293 Q416	Y291-N414 WeakPolarHBondContact O-CB 3.34Å; Y291-N414 PolarHBondContact O-ND2 3.11Å; S293-N414 PolarHBondContact OG-N 3.1Å; N414-Q416 PolarHBondContact O-N 3.2Å; N414-Q416 WeakPolarHBondContact OD1-CB 3.49Å; N414-Q416 PolarHBondContact OD1-N 3.06Å
415	A	78	Confident	88.5	Confident	44 Å²	44	41 Å²	41	36%	0.364	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-67.9	-14.4	-175.4	0	0	0	0	0	114.8	V260 L263 I413 Y417 N418	V260-A415 HydrophobicContact CG1-CB 3.58Å; L263-A415 HydrophobicContact CD1-CB 3.8Å; I413-A415 PolarHBondContact O-N 3.41Å; A415-Y417 PolarHBondContact O-N 3.21Å; A415-N418 PolarHBondContact O-N 3.42Å; A415-N418 VanDerWaalsContact O-N 3.17Å; A415-N418 PolarHBondContact O-OD1 3.04Å
416	Q	81.6	Confident	88.8	Confident	143 Å²	143	40.1 Å²	40.1	67%	0.668	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-55.7	-26.7	-172.5	-174.4	178.3	2.1	0	0	114.3	N414	N414-Q416 PolarHBondContact O-N 3.2Å; N414-Q416 WeakPolarHBondContact OD1-CB 3.49Å; N414-Q416 PolarHBondContact OD1-N 3.06Å
417	Y	78.8	Confident	88.7	Confident	65 Å²	65	42.7 Å²	42.7	26%	0.255	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-99	-2.9	-173.9	-63.9	-86.5	0	0	0	114.4	T290 Y291 A415 N419	T290-Y417 HydrophobicContact CG2-CD2 4.39Å; T290-Y417 HydrophobicContact CG2-CG 4.34Å; Y291-Y417 HydrophobicContact CD1-CE2 4.43Å; A415-Y417 PolarHBondContact O-N 3.21Å; Y417-N419 PolarHBondContact O-N 3.39Å; Y417-N419 PolarHBondContact O-OD1 3.3Å
418	N	78.4	Confident	88.6	Confident	131 Å²	131	40.1 Å²	40.1	70%	0.701	20%	0.199	S	C	*	.			trans	49.6	20.7	-177.9	-72.6	-8.3	0	0	0	115.7	A415	A415-N418 PolarHBondContact O-N 3.42Å; A415-N418 VanDerWaalsContact O-N 3.17Å; A415-N418 PolarHBondContact O-OD1 3.04Å
419	N	82.8	Confident	88.1	Confident	51 Å²	51	37.6 Å²	37.6	27%	0.273	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-97	127.4	179.8	-69.5	-23.4	0	0	0	110.8	V260 T290 Y417	V260-N419 WeakPolarHBondContact CG2-O 3.43Å; T290-N419 HydrophobicContact CG2-CB 3.95Å; Y417-N419 PolarHBondContact O-N 3.39Å; Y417-N419 PolarHBondContact O-OD1 3.3Å
420	D	86.9	Confident	87.3	Confident	64 Å²	64	40.8 Å²	40.8	34%	0.342	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-70.7	132.5	172.8	-72.9	3.6	0	0	0	110.7	I257 S259 V260 Q288	I257-D420 HydrophobicContact CG2-CB 3.97Å; S259-D420 VanDerWaalsContact CA-CG 3.49Å; S259-D420 WeakPolarHBondContact CA-OD1 3.44Å; S259-D420 WeakPolarHBondContact CB-OD1 3.44Å; S259-D420 WeakPolarHBondContact CB-OD2 3.27Å; S259-D420 PolarHBondContact OG-OD2 3.32Å; V260-D420 PolarHBondContact N-OD1 3.42Å; Q288-D420 WeakPolarHBondContact CB-O 3.39Å
421	I	90.5	Very high	86.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	130	178.4	-64.8	-172.9	0	0	0	109.2	L258 W289 I413	L258-I421 HydrophobicContact CB-CB 4.37Å; L258-I421 PolarHBondContact N-O 3.15Å; L258-I421 PolarHBondContact O-N 2.9Å; W289-I421 HydrophobicContact CD2-CD1 4.14Å; W289-I421 HydrophobicContact CD2-CG2 4.45Å; W289-I421 HydrophobicContact CE3-CD1 4.07Å; W289-I421 HydrophobicContact CE3-CG2 3.46Å; W289-I421 VanDerWaalsContact CE3-CG2 3.46Å; W289-I421 HydrophobicContact CZ3-CD1 4.43Å; W289-I421 HydrophobicContact CZ3-CG2 3.62Å; I413-I421 HydrophobicContact CB-CD1 4.41Å; I413-I421 HydrophobicContact CD1-CB 4.13Å; I413-I421 HydrophobicContact CD1-CD1 4.01Å; I413-I421 HydrophobicContact CD1-CG1 4.13Å; I413-I421 HydrophobicContact CG1-CD1 3.92Å; I413-I421 HydrophobicContact CG2-CD1 3.92Å; I413-I421 HydrophobicContact CG2-CG1 4.34Å
422	T	91.3	Very high	84.9	Confident	29 Å²	29	44 Å²	44	18%	0.178	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.8	174.9	-55.9	0	0	0	0	110.4	K255 L256 G286 R287 E424	K255-T422 HydrophobicContact CB-CG2 3.9Å; K255-T422 HydrophobicContact CD-CG2 3.94Å; K255-T422 HydrophobicContact CG-CG2 4.47Å; L256-T422 CarbonylContact O-C 3.57Å; L256-T422 WeakPolarHBondContact O-CA 3.27Å; G286-T422 CarbonylContact C-O 3.58Å; G286-T422 WeakPolarHBondContact CA-O 3.21Å; R287-T422 PolarHBondContact N-O 2.74Å; R287-T422 PolarHBondContact O-N 3.19Å; R287-T422 VanDerWaalsContact O-N 3.14Å; T422-E424 HydrophobicContact CG2-CG 4.31Å
423	I	92.5	Very high	82.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	111.4	169	-57.7	171.3	0	0	0	107.7	I233 K255 L256 L258 M284 F411 L426	I233-I423 HydrophobicContact CD1-CG2 4.41Å; K255-I423 WeakPolarHBondContact CA-O 3.48Å; L256-I423 HydrophobicContact CB-CB 4.14Å; L256-I423 HydrophobicContact CD2-CD1 4.27Å; L256-I423 PolarHBondContact N-O 2.76Å; L256-I423 PolarHBondContact O-N 2.91Å; L258-I423 HydrophobicContact CD1-CD1 3.71Å; L258-I423 HydrophobicContact CD1-CG1 4.36Å; L258-I423 HydrophobicContact CG-CD1 4.31Å; M284-I423 HydrophobicContact CG-CG2 4.17Å; F411-I423 HydrophobicContact CD1-CD1 3.65Å; F411-I423 HydrophobicContact CE1-CD1 3.31Å; F411-I423 HydrophobicContact CE1-CG1 4.28Å; F411-I423 HydrophobicContact CE2-CD1 4.28Å; F411-I423 HydrophobicContact CG-CD1 4.28Å; F411-I423 HydrophobicContact CZ-CD1 3.67Å; I423-L426 HydrophobicContact CG2-CB 3.9Å
424	E	92.1	Very high	80.6	Confident	35 Å²	35	50 Å²	50	16%	0.164	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-32.6	-178.9	-53.1	-162.1	121.9	0	0	112.6	I233 K255 I285 R287 T422	I233-E424 VanDerWaalsContact CD1-C 3.47Å; I233-E424 VanDerWaalsContact CD1-O 3.31Å; I233-E424 WeakPolarHBondContact CD1-O 3.26Å; K255-E424 HydrophobicContact CD-CG 4.12Å; K255-E424 WeakPolarHBondContact CE-OE1 3.27Å; K255-E424 IonicContact NZ-OE1 3.71Å; K255-E424 PolarHBondContact NZ-OE1 3.33Å; I285-E424 PolarHBondContact O-N 2.88Å; R287-E424 HydrophobicContact CG-CG 4.16Å; R287-E424 IonicContact CZ-OE1 3.84Å; R287-E424 IonicContact CZ-OE2 3.08Å; R287-E424 IonicContact NE-OE1 3.36Å; R287-E424 PolarHBondContact NE-OE1 3.1Å; R287-E424 IonicContact NE-OE2 3.21Å; R287-E424 PolarHBondContact NE-OE2 2.95Å; R287-E424 IonicContact NH2-OE1 2.88Å; R287-E424 PolarHBondContact NH2-OE1 3.02Å; R287-E424 IonicContact NH2-OE2 3.16Å; R287-E424 PolarHBondContact NH2-OE2 3.16Å; T422-E424 HydrophobicContact CG2-CG 4.31Å
425	K	90.9	Very high	78.1	Confident	83 Å²	83	58.9 Å²	58.9	36%	0.361	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	134.6	178.3	-69.9	-163.5	-173.7	179	0	109.3	M284 I285 Y427 L450	M284-K425 CarbonylContact C-O 3.48Å; M284-K425 VanDerWaalsContact CA-O 3.24Å; M284-K425 WeakPolarHBondContact CA-O 3.3Å; I285-K425 HydrophobicContact CB-CB 3.96Å; I285-K425 HydrophobicContact CD1-CB 4.3Å; I285-K425 HydrophobicContact CD1-CD 3.89Å; I285-K425 HydrophobicContact CD1-CG 4.34Å; I285-K425 HydrophobicContact CG1-CB 4.02Å; I285-K425 PolarHBondContact N-O 2.89Å; I285-K425 PolarHBondContact O-N 3.25Å; I285-K425 VanDerWaalsContact O-N 3.14Å; K425-Y427 HydrophobicContact CB-CD2 4.04Å; K425-Y427 HydrophobicContact CB-CE2 3.62Å; K425-Y427 HydrophobicContact CD-CE2 4.04Å; K425-Y427 HydrophobicContact CG-CE2 3.91Å; K425-L450 HydrophobicContact CD-CD2 3.94Å
426	L	91.6	Very high	76.1	Confident	3 Å²	3	62 Å²	62	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	112.7	171.6	-172.8	64.1	0	0	0	109.8	L232 I233 I272 L282 I283 M284 F411 I423	L232-L426 HydrophobicContact CB-CB 4.18Å; L232-L426 HydrophobicContact CB-CD2 3.78Å; L232-L426 HydrophobicContact CB-CG 3.75Å; L232-L426 WeakPolarHBondContact CB-O 3.23Å; L232-L426 HydrophobicContact CD1-CD1 4.49Å; L232-L426 HydrophobicContact CD1-CD2 4.06Å; L232-L426 HydrophobicContact CD1-CG 3.82Å; L232-L426 HydrophobicContact CG-CG 4.34Å; L232-L426 PolarHBondContact N-O 3.03Å; I233-L426 HydrophobicContact CD1-CB 4.4Å; I233-L426 HydrophobicContact CG1-CB 3.88Å; I272-L426 HydrophobicContact CD1-CD2 3.41Å; I272-L426 VanDerWaalsContact CD1-CD2 3.41Å; L282-L426 HydrophobicContact CD1-CD1 4.27Å; I283-L426 CarbonylContact O-C 3.52Å; I283-L426 VanDerWaalsContact O-CA 3.3Å; I283-L426 WeakPolarHBondContact O-CA 3.17Å; M284-L426 HydrophobicContact CB-CD1 3.74Å; M284-L426 HydrophobicContact CG-CD1 3.81Å; F411-L426 HydrophobicContact CE2-CD2 3.92Å; F411-L426 HydrophobicContact CZ-CD1 3.96Å; F411-L426 HydrophobicContact CZ-CD2 3.77Å; I423-L426 HydrophobicContact CG2-CB 3.9Å
427	Y	88.8	Confident	73.8	Confident	54 Å²	54	63 Å²	63	21%	0.212	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.1	-173.1	-63	-92.2	0	0	0	111.5	L230 D231 I283 K425 L450	L230-Y427 WeakPolarHBondContact O-CA 3.22Å; D231-Y427 HydrophobicContact CB-CD1 3.87Å; D231-Y427 HydrophobicContact CB-CE1 3.47Å; D231-Y427 VanDerWaalsContact CB-CE1 3.47Å; D231-Y427 WeakPolarHBondContact OD2-CE1 3.17Å; D231-Y427 PolarHBondContact OD2-OH 3.17Å; I283-Y427 PolarHBondContact N-O 2.87Å; I283-Y427 PolarHBondContact O-N 2.94Å; K425-Y427 HydrophobicContact CB-CD2 4.04Å; K425-Y427 HydrophobicContact CB-CE2 3.62Å; K425-Y427 HydrophobicContact CD-CE2 4.04Å; K425-Y427 HydrophobicContact CG-CE2 3.91Å; Y427-L450 HydrophobicContact CD2-CD2 4.29Å; Y427-L450 HydrophobicContact CE2-CD2 4.47Å
428	L	89.2	Confident	71.7	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.6	156.2	-65.2	171.4	0	0	0	109.3	L230 L232 P274 W279 Y281 L282 V406 I409	L230-L428 HydrophobicContact CB-CB 4.38Å; L230-L428 PolarHBondContact N-O 2.81Å; L230-L428 PolarHBondContact O-N 3.4Å; L232-L428 HydrophobicContact CD1-CD1 4.09Å; L232-L428 HydrophobicContact CD1-CG 3.85Å; L232-L428 HydrophobicContact CD2-CD1 4.35Å; L232-L428 HydrophobicContact CG-CG 4.44Å; P274-L428 HydrophobicContact CB-CD1 4.02Å; P274-L428 HydrophobicContact CG-CD1 3.59Å; W279-L428 HydrophobicContact CB-CB 4.33Å; W279-L428 HydrophobicContact CB-CD2 4.35Å; W279-L428 HydrophobicContact CD2-CB 3.6Å; W279-L428 HydrophobicContact CD2-CD1 4.04Å; W279-L428 HydrophobicContact CD2-CG 4.38Å; W279-L428 HydrophobicContact CE3-CB 3.65Å; W279-L428 HydrophobicContact CG-CB 3.92Å; W279-L428 HydrophobicContact CG-CD1 3.86Å; W279-L428 HydrophobicContact CG-CD2 4.45Å; W279-L428 HydrophobicContact CG-CG 4.29Å; W279-L428 HydrophobicContact CZ3-CB 4.21Å; Y281-L428 CarbonylContact O-C 3.56Å; Y281-L428 VanDerWaalsContact O-CA 3.27Å; Y281-L428 WeakPolarHBondContact O-CA 3.1Å; Y281-L428 WeakPolarHBondContact O-CD2 3.39Å; L282-L428 HydrophobicContact CB-CD2 4.19Å; L282-L428 HydrophobicContact CD1-CD2 3.74Å; V406-L428 HydrophobicContact CB-CD1 4.31Å; V406-L428 HydrophobicContact CG1-CD1 4.4Å; V406-L428 HydrophobicContact CG2-CD1 4.39Å; V406-L428 HydrophobicContact CG2-CD2 4.14Å; I409-L428 HydrophobicContact CD1-CD1 4.28Å; I409-L428 HydrophobicContact CD1-CD2 4.37Å
429	G	83.3	Confident	69.9	Low	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	156.4	179.6	0	0	0	0	0	112	D280 Y281	D280-G429 PolarHBondContact N-O 3.42Å; Y281-G429 PolarHBondContact N-O 3.26Å; Y281-G429 PolarHBondContact O-N 2.89Å
430	K	78.2	Confident	67.8	Low	66 Å²	66	64.7 Å²	64.7	29%	0.287	32%	0.316	S	S	.	.			trans	-113.2	148.4	172.1	-161.6	170.4	-172.1	163.8	0	110	M228 E278 D280	M228-K430 WeakPolarHBondContact O-CB 3.47Å; M228-K430 PolarHBondContact O-N 3.2Å; E278-K430 IonicContact OE2-NZ 2.69Å; E278-K430 PolarHBondContact OE2-NZ 3.37Å; D280-K430 WeakPolarHBondContact OD2-CA 3.42Å; D280-K430 VanDerWaalsContact OD2-CG 3.26Å; D280-K430 WeakPolarHBondContact OD2-CG 3.3Å
431	L	72.4	Confident	65.5	Low	50 Å²	50	62.8 Å²	62.8	26%	0.262	31%	0.307	S	S	.	.			trans	-71.7	127.8	171.5	175.4	65.6	0	0	0	109.2	D280 Y281 N433	D280-L431 HydrophobicContact CB-CB 4.39Å; D280-L431 WeakPolarHBondContact OD2-CB 3.34Å; D280-L431 PolarHBondContact OD2-N 2.92Å; Y281-L431 HydrophobicContact CE2-CB 4.25Å; Y281-L431 WeakPolarHBondContact OH-CD1 3.2Å; L431-N433 VanDerWaalsContact CD2-OD1 3.29Å; L431-N433 WeakPolarHBondContact CD2-OD1 3.21Å; L431-N433 PolarHBondContact O-N 2.91Å
432	T	63.6	Low	63.2	Low	24 Å²	24	68.9 Å²	68.9	15%	0.147	34%	0.34	C	S	.	.			trans	-75.1	74.9	174.9	-43	0	0	0	0	110.8	M228 L434 I444 E448	M228-T432 HydrophobicContact SD-CG2 4.44Å; T432-L434 HydrophobicContact CG2-CB 4.31Å; T432-L434 HydrophobicContact CG2-CD1 4.21Å; T432-L434 HydrophobicContact CG2-CG 4.42Å; T432-L434 PolarHBondContact O-N 2.94Å; T432-I444 HydrophobicContact CG2-CG2 3.55Å; T432-I444 WeakPolarHBondContact OG1-CG2 3.49Å; T432-E448 WeakPolarHBondContact CB-OE2 3.25Å; T432-E448 PolarHBondContact N-OE2 3Å; T432-E448 VanDerWaalsContact N-OE2 3.14Å; T432-E448 PolarHBondContact OG1-OE2 2.99Å
433	N	49.8	Very low	60.8	Low	80 Å²	80	76 Å²	76	43%	0.428	37%	0.368	S	S	.	.			trans	-77.9	70.2	171.8	-88.6	-14.7	0	0	0	110.5	L431	L431-N433 VanDerWaalsContact CD2-OD1 3.29Å; L431-N433 WeakPolarHBondContact CD2-OD1 3.21Å; L431-N433 PolarHBondContact O-N 2.91Å
434	L	42.5	Very low	58.5	Low	83 Å²	83	77.1 Å²	77.1	44%	0.435	37%	0.374	S	S	.	.			trans	-132.3	99.4	-179.2	-65.2	172.6	0	0	0	111.4	T432 L436	T432-L434 HydrophobicContact CG2-CB 4.31Å; T432-L434 HydrophobicContact CG2-CD1 4.21Å; T432-L434 HydrophobicContact CG2-CG 4.42Å; T432-L434 PolarHBondContact O-N 2.94Å; L434-L436 HydrophobicContact CB-CB 4.16Å; L434-L436 HydrophobicContact CD2-CB 3.85Å; L434-L436 HydrophobicContact CD2-CD1 3.43Å; L434-L436 VanDerWaalsContact CD2-CD1 3.43Å; L434-L436 HydrophobicContact CD2-CG 3.49Å; L434-L436 VanDerWaalsContact CD2-CG 3.49Å; L434-L436 HydrophobicContact CG-CB 4.49Å; L434-L436 PolarHBondContact O-N 2.86Å
435	R	37.8	Very low	56.8	Low	232 Å²	232	76.3 Å²	76.3	88%	0.875	37%	0.37	S	S	*	.			trans	-74.8	19.8	141.6	-78.5	-170.1	179.7	-174.1	1.1	111.2	I437	R435-I437 PolarHBondContact O-N 3.39Å
436	L	34.5	Very low	55.8	Low	108 Å²	108	76.4 Å²	76.4	57%	0.565	38%	0.381	S	S	*	.			trans	-81.2	102.4	166.5	-63.5	-171.8	0	0	0	107.1	L434 F438	L434-L436 HydrophobicContact CB-CB 4.16Å; L434-L436 HydrophobicContact CD2-CB 3.85Å; L434-L436 HydrophobicContact CD2-CD1 3.43Å; L434-L436 VanDerWaalsContact CD2-CD1 3.43Å; L434-L436 HydrophobicContact CD2-CG 3.49Å; L434-L436 VanDerWaalsContact CD2-CG 3.49Å; L434-L436 HydrophobicContact CG-CB 4.49Å; L434-L436 PolarHBondContact O-N 2.86Å; L436-F438 HydrophobicContact CB-CD2 3.75Å; L436-F438 HydrophobicContact CB-CE2 4.1Å; L436-F438 HydrophobicContact CD1-CD2 4.39Å; L436-F438 HydrophobicContact CD1-CE2 4.33Å; L436-F438 HydrophobicContact CD2-CE2 4.24Å; L436-F438 HydrophobicContact CG-CE2 4.46Å; L436-F438 PolarHBondContact O-N 2.96Å
437	I	33.4	Very low	55.3	Low	165 Å²	165	76.3 Å²	76.3	85%	0.846	38%	0.381	S	S	*	.			trans	-68.6	87.6	166.5	-57.2	167.3	0	0	0	105.5	R435	R435-I437 PolarHBondContact O-N 3.39Å
438	F	35	Very low	54.9	Low	136 Å²	136	74.9 Å²	74.9	60%	0.596	38%	0.376	S	S	*	.			trans	-135.6	138.7	166.7	-69.6	-64.7	0	0	0	109.5	L436 T440	L436-F438 HydrophobicContact CB-CD2 3.75Å; L436-F438 HydrophobicContact CB-CE2 4.1Å; L436-F438 HydrophobicContact CD1-CD2 4.39Å; L436-F438 HydrophobicContact CD1-CE2 4.33Å; L436-F438 HydrophobicContact CD2-CE2 4.24Å; L436-F438 HydrophobicContact CG-CE2 4.46Å; L436-F438 PolarHBondContact O-N 2.96Å; F438-T440 PolarHBondContact O-N 3.09Å
439	P	42	Very low	54.8	Low	84 Å²	84	78.7 Å²	78.7	55%	0.545	39%	0.392	S	S	.	.	S	Bend	trans	-75.2	19.8	-169.7	-13.5	30.3	0	0	0	115.9	E218	E218-P439 WeakPolarHBondContact O-CB 3.46Å
440	T	38.1	Very low	55.1	Low	63 Å²	63	79.7 Å²	79.7	39%	0.387	40%	0.397	S	S	.	.			trans	-110.4	77.2	-173.6	34.8	0	0	0	0	113	L221 F438	L221-T440 VanDerWaalsContact O-CG2 3.3Å; L221-T440 WeakPolarHBondContact O-CG2 3.47Å; F438-T440 PolarHBondContact O-N 3.09Å
441	V	38.5	Very low	55.8	Low	23 Å²	23	76.6 Å²	76.6	14%	0.139	38%	0.384	C	S	.	.			trans	-135.7	18.9	-173.3	-172.5	0	0	0	0	112.9	E215 K443 I444 K445	E215-V441 WeakPolarHBondContact OE2-CB 3.5Å; E215-V441 VanDerWaalsContact OE2-CG1 3.25Å; E215-V441 WeakPolarHBondContact OE2-CG1 3.18Å; V441-K443 PolarHBondContact O-N 2.88Å; V441-K443 VanDerWaalsContact O-N 3.13Å; V441-I444 HydrophobicContact CB-CB 4.21Å; V441-I444 HydrophobicContact CB-CD1 4.07Å; V441-I444 HydrophobicContact CB-CG1 4.27Å; V441-I444 HydrophobicContact CG1-CB 3.37Å; V441-I444 HydrophobicContact CG1-CD1 3.9Å; V441-I444 HydrophobicContact CG1-CG1 3.92Å; V441-I444 HydrophobicContact CG1-CG2 3.54Å; V441-I444 HydrophobicContact CG2-CD1 3.86Å; V441-I444 PolarHBondContact O-N 2.92Å; V441-K445 HydrophobicContact CG1-CD 4.49Å; V441-K445 VanDerWaalsContact CG1-NZ 3.34Å
442	N	42.2	Very low	56.7	Low	129 Å²	129	74.3 Å²	74.3	69%	0.69	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	3.2	-179.2	-83	-27.1	0	0	0	116.3
443	K	41.4	Very low	58.2	Low	179 Å²	179	76 Å²	76	78%	0.778	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.9	5.1	166.1	-79.8	-170.6	178.3	-179	0	114	V441	V441-K443 PolarHBondContact O-N 2.88Å; V441-K443 VanDerWaalsContact O-N 3.13Å
444	I	43	Very low	60.4	Low	22 Å²	22	72.7 Å²	72.7	11%	0.113	36%	0.36	C	S	.	.	S	Bend	trans	-82.2	126.5	175.2	-59.6	-167.9	0	0	0	105.9	M228 T432 V441	M228-I444 HydrophobicContact CE-CB 3.69Å; M228-I444 HydrophobicContact CE-CG1 4.13Å; M228-I444 HydrophobicContact CE-CG2 3.41Å; M228-I444 VanDerWaalsContact CE-CG2 3.41Å; M228-I444 HydrophobicContact SD-CB 3.53Å; M228-I444 VanDerWaalsContact SD-CB 3.53Å; M228-I444 HydrophobicContact SD-CD1 3.69Å; M228-I444 HydrophobicContact SD-CG1 3.38Å; M228-I444 WeakPolarHBondContact SD-CG1 3.42Å; M228-I444 HydrophobicContact SD-CG2 3.23Å; M228-I444 WeakPolarHBondContact SD-CG2 3.37Å; T432-I444 HydrophobicContact CG2-CG2 3.55Å; T432-I444 WeakPolarHBondContact OG1-CG2 3.49Å; V441-I444 HydrophobicContact CB-CB 4.21Å; V441-I444 HydrophobicContact CB-CD1 4.07Å; V441-I444 HydrophobicContact CB-CG1 4.27Å; V441-I444 HydrophobicContact CG1-CB 3.37Å; V441-I444 HydrophobicContact CG1-CD1 3.9Å; V441-I444 HydrophobicContact CG1-CG1 3.92Å; V441-I444 HydrophobicContact CG1-CG2 3.54Å; V441-I444 HydrophobicContact CG2-CD1 3.86Å; V441-I444 PolarHBondContact O-N 2.92Å
445	K	56.8	Low	63	Low	19 Å²	19	68.8 Å²	68.8	8%	0.083	34%	0.34	C	S	.	.	S	Bend	trans	118.2	-0.9	163	-56.5	148.2	-169.7	162.4	0	117.3	R211 E215 E229 V441 K449	R211-K445 VanDerWaalsContact CB-NZ 3.32Å; E215-K445 IonicContact OE1-NZ 3.69Å; E215-K445 PolarHBondContact OE1-NZ 3.34Å; E215-K445 IonicContact OE2-NZ 3.91Å; E215-K445 PolarHBondContact OE2-NZ 2.97Å; E229-K445 WeakPolarHBondContact OE1-CA 3.47Å; E229-K445 PolarHBondContact OE1-N 3.41Å; V441-K445 HydrophobicContact CG1-CD 4.49Å; V441-K445 VanDerWaalsContact CG1-NZ 3.34Å; K445-K449 WeakPolarHBondContact O-CA 3.18Å; K445-K449 WeakPolarHBondContact O-CB 3.36Å; K445-K449 PolarHBondContact O-N 2.76Å
446	S	69.7	Low	65.8	Low	85 Å²	85	57.8 Å²	57.8	59%	0.594	30%	0.298	S	S	*	.	H	α-helix	trans	-70.2	-46.8	-178.9	-59.6	0	0	0	0	112.9	E229 L450	E229-S446 VanDerWaalsContact CD-N 3.31Å; E229-S446 PolarHBondContact OE1-N 3.28Å; E229-S446 WeakPolarHBondContact OE2-CA 3.14Å; E229-S446 VanDerWaalsContact OE2-CB 3.25Å; E229-S446 WeakPolarHBondContact OE2-CB 3.44Å; E229-S446 PolarHBondContact OE2-N 2.88Å; S446-L450 WeakPolarHBondContact O-CB 3.36Å; S446-L450 PolarHBondContact O-N 2.68Å
447	A	80.4	Confident	68.9	Low	1 Å²	1	53.6 Å²	53.6	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-69.1	-44.2	177.1	0	0	0	0	0	111.7	E229 I283 L450 F451	E229-A447 HydrophobicContact CB-CB 4.22Å; E229-A447 HydrophobicContact CG-CB 3.88Å; E229-A447 PolarHBondContact OE1-N 3.16Å; E229-A447 VanDerWaalsContact OE1-N 3.08Å; E229-A447 PolarHBondContact OE2-N 3.48Å; I283-A447 HydrophobicContact CD1-CB 4.22Å; I283-A447 WeakPolarHBondContact CD1-O 3.44Å; A447-L450 PolarHBondContact O-N 3.47Å; A447-F451 VanDerWaalsContact O-CB 3.3Å; A447-F451 WeakPolarHBondContact O-CB 3.45Å; A447-F451 PolarHBondContact O-N 3.37Å
448	E	81.6	Confident	72	Confident	23 Å²	23	46.4 Å²	46.4	11%	0.107	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-44.7	176.2	-176.1	179.2	170.1	0	0	111.6	Y281 T432 F451 H452	Y281-E448 HydrophobicContact CE2-CB 4.34Å; Y281-E448 HydrophobicContact CE2-CG 4.1Å; T432-E448 WeakPolarHBondContact CB-OE2 3.25Å; T432-E448 PolarHBondContact N-OE2 3Å; T432-E448 VanDerWaalsContact N-OE2 3.14Å; T432-E448 PolarHBondContact OG1-OE2 2.99Å; E448-F451 WeakPolarHBondContact O-CB 3.45Å; E448-F451 PolarHBondContact O-N 3.5Å; E448-H452 PolarHBondContact O-N 3.01Å; E448-H452 IonicContact OE1-NE2 2.89Å
449	K	85.9	Confident	75	Confident	81 Å²	81	39.9 Å²	39.9	35%	0.352	21%	0.212	S	C	.	.	H	α-helix	trans	-60.5	-49	174.7	-176	-172.5	177.8	-178.2	0	110.9	L205 K445 F451 H452 E453	L205-K449 HydrophobicContact CD1-CB 4.44Å; L205-K449 HydrophobicContact CD1-CD 4.37Å; L205-K449 HydrophobicContact CD1-CG 3.37Å; K445-K449 WeakPolarHBondContact O-CA 3.18Å; K445-K449 WeakPolarHBondContact O-CB 3.36Å; K445-K449 PolarHBondContact O-N 2.76Å; K449-F451 VanDerWaalsContact C-N 3.3Å; K449-F451 PolarHBondContact O-N 2.87Å; K449-H452 PolarHBondContact O-N 3.24Å; K449-E453 WeakPolarHBondContact O-CB 3.41Å; K449-E453 PolarHBondContact O-N 3.46Å
450	L	90	Very high	77.7	Confident	20 Å²	20	35.9 Å²	35.9	11%	0.105	19%	0.186	C	C	.	.	H	α-helix	trans	-61.7	-38.7	178.1	179.8	61.6	0	0	0	111.5	I283 K425 Y427 S446 A447 E453 I454	I283-L450 HydrophobicContact CD1-CB 4.2Å; I283-L450 HydrophobicContact CD1-CD2 4.27Å; I283-L450 HydrophobicContact CD1-CG 4.22Å; I283-L450 HydrophobicContact CG2-CD2 3.93Å; I283-L450 HydrophobicContact CG2-CG 4.25Å; K425-L450 HydrophobicContact CD-CD2 3.94Å; Y427-L450 HydrophobicContact CD2-CD2 4.29Å; Y427-L450 HydrophobicContact CE2-CD2 4.47Å; S446-L450 WeakPolarHBondContact O-CB 3.36Å; S446-L450 PolarHBondContact O-N 2.68Å; A447-L450 PolarHBondContact O-N 3.47Å; L450-E453 PolarHBondContact O-N 3.46Å; L450-I454 HydrophobicContact CD1-CD1 3.95Å; L450-I454 HydrophobicContact CD1-CG1 4.09Å; L450-I454 HydrophobicContact CG-CD1 3.87Å; L450-I454 HydrophobicContact CG-CG1 4.42Å; L450-I454 WeakPolarHBondContact O-CB 3.27Å; L450-I454 VanDerWaalsContact O-CG1 3.24Å; L450-I454 WeakPolarHBondContact O-CG1 3.32Å; L450-I454 PolarHBondContact O-N 3.12Å
451	F	92.4	Very high	80.6	Confident	2 Å²	2	36 Å²	36	1%	0.009	18%	0.184	C	C	.	.	H	α-helix	trans	-58.9	-52.4	173.4	172.2	-106.2	0	0	0	110.5	H201 Y281 I283 A363 D365 A447 E448 K449 E453 I454 R455	H201-F451 AromaticContact CE1-CE1 3.8Å; Y281-F451 AromaticContact CD1-CD1 3.91Å; Y281-F451 HydrophobicContact CD1-CD1 3.91Å; Y281-F451 HydrophobicContact CD1-CD2 4.03Å; Y281-F451 AromaticContact CD1-CE1 3.92Å; Y281-F451 HydrophobicContact CD1-CE1 3.92Å; Y281-F451 HydrophobicContact CD1-CE2 4.05Å; Y281-F451 AromaticContact CD1-CG 3.99Å; Y281-F451 HydrophobicContact CD1-CG 3.99Å; Y281-F451 AromaticContact CD1-CZ 4Å; Y281-F451 HydrophobicContact CD1-CZ 4Å; Y281-F451 AromaticContact CE1-CD1 3.78Å; Y281-F451 HydrophobicContact CE1-CD1 3.78Å; Y281-F451 AromaticContact CE1-CE1 3.58Å; Y281-F451 HydrophobicContact CE1-CE1 3.58Å; Y281-F451 HydrophobicContact CE1-CE2 4.48Å; Y281-F451 HydrophobicContact CE1-CG 4.34Å; Y281-F451 AromaticContact CE1-CZ 3.98Å; Y281-F451 HydrophobicContact CE1-CZ 3.98Å; Y281-F451 HydrophobicContact CE2-CD1 4.46Å; Y281-F451 HydrophobicContact CG-CB 4.47Å; Y281-F451 HydrophobicContact CG-CD1 4.34Å; Y281-F451 HydrophobicContact CG-CD2 4.37Å; Y281-F451 HydrophobicContact CG-CG 4.15Å; I283-F451 HydrophobicContact CD1-CB 3.9Å; I283-F451 HydrophobicContact CG1-CB 4.31Å; A363-F451 HydrophobicContact CB-CD2 3.97Å; A363-F451 HydrophobicContact CB-CE2 4.37Å; D365-F451 HydrophobicContact CB-CZ 4.21Å; A447-F451 VanDerWaalsContact O-CB 3.3Å; A447-F451 WeakPolarHBondContact O-CB 3.45Å; A447-F451 PolarHBondContact O-N 3.37Å; E448-F451 WeakPolarHBondContact O-CB 3.45Å; E448-F451 PolarHBondContact O-N 3.5Å; K449-F451 VanDerWaalsContact C-N 3.3Å; K449-F451 PolarHBondContact O-N 2.87Å; F451-E453 PolarHBondContact O-N 3.35Å; F451-I454 PolarHBondContact O-N 2.84Å; F451-R455 HydrophobicContact CD2-CG 4.4Å; F451-R455 HydrophobicContact CE1-CG 4.28Å; F451-R455 HydrophobicContact CE2-CG 4.02Å; F451-R455 HydrophobicContact CZ-CG 3.94Å; F451-R455 WeakPolarHBondContact O-CG 3.32Å; F451-R455 PolarHBondContact O-N 3.35Å
452	H	92.4	Very high	83.4	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-63.8	-37.7	178.2	-70.8	-17.4	0	0	0	113.5	H201 K204 L205 E448 K449 R455 F456	H201-H452 AromaticContact CE1-ND1 3.62Å; H201-H452 AromaticContact ND1-CE1 3.65Å; H201-H452 AromaticContact ND1-CG 3.81Å; H201-H452 AromaticContact ND1-ND1 2.98Å; H201-H452 PolarHBondContact ND1-ND1 2.97Å; K204-H452 VanDerWaalsContact CB-CD2 3.4Å; K204-H452 WeakPolarHBondContact CB-CD2 3.48Å; K204-H452 WeakPolarHBondContact CD-NE2 3.21Å; L205-H452 HydrophobicContact CB-CB 4.17Å; E448-H452 PolarHBondContact O-N 3.01Å; E448-H452 IonicContact OE1-NE2 2.89Å; K449-H452 PolarHBondContact O-N 3.24Å; H452-R455 PolarHBondContact O-N 3.3Å; H452-F456 VanDerWaalsContact O-CB 3.22Å; H452-F456 WeakPolarHBondContact O-CB 3.5Å; H452-F456 PolarHBondContact O-N 2.86Å
453	E	94.9	Very high	86.1	Confident	58 Å²	58	29.3 Å²	29.3	27%	0.271	15%	0.147	S	C	.	.	H	α-helix	trans	-61.9	-49.9	174.3	-172.9	-177.3	155.7	0	0	111.3	L205 K449 L450 F451 R455 F456 M457 Y511	L205-E453 HydrophobicContact CD1-CB 4.29Å; L205-E453 HydrophobicContact CD2-CB 4.21Å; L205-E453 HydrophobicContact CD2-CG 4.43Å; K449-E453 WeakPolarHBondContact O-CB 3.41Å; K449-E453 PolarHBondContact O-N 3.46Å; L450-E453 PolarHBondContact O-N 3.46Å; F451-E453 PolarHBondContact O-N 3.35Å; E453-R455 VanDerWaalsContact C-N 3.34Å; E453-R455 PolarHBondContact O-N 2.84Å; E453-F456 PolarHBondContact O-N 2.7Å; E453-M457 HydrophobicContact CG-CG 4.48Å; E453-M457 WeakPolarHBondContact O-CB 3.43Å; E453-M457 VanDerWaalsContact O-CG 3.3Å; E453-M457 WeakPolarHBondContact O-CG 3.44Å; E453-M457 PolarHBondContact O-N 3.01Å; E453-Y511 HydrophobicContact CG-CE1 4.13Å; E453-Y511 WeakPolarHBondContact CG-OH 3.36Å; E453-Y511 PolarHBondContact OE1-OH 3.34Å; E453-Y511 PolarHBondContact OE2-OH 3.45Å
454	I	96.2	Very high	88.8	Confident	11 Å²	11	22.3 Å²	22.3	6%	0.056	12%	0.117	C	C	.	.	H	α-helix	trans	-60.3	-44.7	177.4	-67.8	166.2	0	0	0	110.6	I283 I285 K361 A363 L450 F451 M457 S458	I283-I454 HydrophobicContact CG2-CD1 3.48Å; I283-I454 VanDerWaalsContact CG2-CD1 3.48Å; I285-I454 HydrophobicContact CD1-CD1 4.13Å; I285-I454 HydrophobicContact CG1-CD1 4.32Å; K361-I454 HydrophobicContact CB-CG2 4.18Å; K361-I454 HydrophobicContact CD-CG2 4.45Å; A363-I454 HydrophobicContact CB-CB 3.98Å; A363-I454 HydrophobicContact CB-CD1 4.12Å; A363-I454 HydrophobicContact CB-CG2 3.57Å; L450-I454 HydrophobicContact CD1-CD1 3.95Å; L450-I454 HydrophobicContact CD1-CG1 4.09Å; L450-I454 HydrophobicContact CG-CD1 3.87Å; L450-I454 HydrophobicContact CG-CG1 4.42Å; L450-I454 WeakPolarHBondContact O-CB 3.27Å; L450-I454 VanDerWaalsContact O-CG1 3.24Å; L450-I454 WeakPolarHBondContact O-CG1 3.32Å; L450-I454 PolarHBondContact O-N 3.12Å; F451-I454 PolarHBondContact O-N 2.84Å; I454-M457 PolarHBondContact O-N 2.9Å; I454-S458 VanDerWaalsContact O-CB 3.26Å; I454-S458 WeakPolarHBondContact O-CB 3.41Å; I454-S458 PolarHBondContact O-N 3.36Å; I454-S458 PolarHBondContact O-OG 2.92Å
455	R	96.6	Very high	91.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-63.6	-43.1	178.3	-67.3	-49.4	-141.8	-176.8	-5.4	112.5	E163 F197 H201 A363 F451 H452 E453 A459	E163-R455 IonicContact OE1-CZ 3Å; E163-R455 IonicContact OE1-NH2 3.18Å; E163-R455 PolarHBondContact OE1-NH2 3.45Å; E163-R455 IonicContact OE2-NE 2.8Å; E163-R455 IonicContact OE2-NH2 3.68Å; F197-R455 HydrophobicContact CE1-CB 3.93Å; F197-R455 HydrophobicContact CE1-CG 4.48Å; F197-R455 HydrophobicContact CZ-CB 3.78Å; F197-R455 HydrophobicContact CZ-CG 3.88Å; H201-R455 HydrophobicContact CB-CB 3.92Å; H201-R455 VanDerWaalsContact CG-CB 3.46Å; A363-R455 PolarHBondContact O-NH1 2.71Å; A363-R455 PolarHBondContact O-NH2 3.11Å; F451-R455 HydrophobicContact CD2-CG 4.4Å; F451-R455 HydrophobicContact CE1-CG 4.28Å; F451-R455 HydrophobicContact CE2-CG 4.02Å; F451-R455 HydrophobicContact CZ-CG 3.94Å; F451-R455 WeakPolarHBondContact O-CG 3.32Å; F451-R455 PolarHBondContact O-N 3.35Å; H452-R455 PolarHBondContact O-N 3.3Å; E453-R455 VanDerWaalsContact C-N 3.34Å; E453-R455 PolarHBondContact O-N 2.84Å; R455-A459 PolarHBondContact O-N 3.3Å
456	F	97.8	Very high	93.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.2	-51.6	176	162	-123.8	0	0	0	111.5	H201 F202 L205 H452 E453 A459 A460 L504 R507 A508 Y511	H201-F456 HydrophobicContact CB-CB 4.31Å; F202-F456 HydrophobicContact CB-CD2 3.6Å; F202-F456 HydrophobicContact CB-CE2 3.88Å; F202-F456 HydrophobicContact CB-CG 4.03Å; F202-F456 AromaticContact CD2-CD1 3.97Å; F202-F456 HydrophobicContact CD2-CD1 3.97Å; F202-F456 AromaticContact CD2-CD2 3.99Å; F202-F456 HydrophobicContact CD2-CD2 3.99Å; F202-F456 AromaticContact CD2-CE1 3.61Å; F202-F456 HydrophobicContact CD2-CE1 3.61Å; F202-F456 AromaticContact CD2-CE2 3.62Å; F202-F456 HydrophobicContact CD2-CE2 3.62Å; F202-F456 HydrophobicContact CD2-CG 4.13Å; F202-F456 AromaticContact CD2-CZ 3.39Å; F202-F456 HydrophobicContact CD2-CZ 3.39Å; F202-F456 HydrophobicContact CE2-CE1 4.13Å; F202-F456 AromaticContact CE2-CZ 3.94Å; F202-F456 HydrophobicContact CE2-CZ 3.94Å; F202-F456 HydrophobicContact CG-CD2 4.21Å; F202-F456 HydrophobicContact CG-CE2 4.02Å; F202-F456 HydrophobicContact CG-CZ 4.24Å; L205-F456 HydrophobicContact CD2-CD1 4.21Å; H452-F456 VanDerWaalsContact O-CB 3.22Å; H452-F456 WeakPolarHBondContact O-CB 3.5Å; H452-F456 PolarHBondContact O-N 2.86Å; E453-F456 PolarHBondContact O-N 2.7Å; F456-A459 PolarHBondContact O-N 3.47Å; F456-A460 PolarHBondContact O-N 2.91Å; F456-A460 VanDerWaalsContact O-N 3.14Å; F456-L504 HydrophobicContact CD2-CD1 3.68Å; F456-L504 HydrophobicContact CE2-CD1 3.57Å; F456-R507 HydrophobicContact CE2-CB 4.28Å; F456-R507 HydrophobicContact CZ-CB 4.18Å; F456-A508 HydrophobicContact CE2-CB 4.39Å; F456-A508 HydrophobicContact CZ-CB 3.96Å; F456-Y511 AromaticContact CE1-CD1 3.93Å; F456-Y511 HydrophobicContact CE1-CD1 3.93Å; F456-Y511 HydrophobicContact CE1-CG 4.01Å
457	M	98.2	Very high	94.6	Very high	21 Å²	21	24.2 Å²	24.2	10%	0.103	12%	0.115	C	C	.	.	H	α-helix	trans	-65.7	-40.8	-179.2	-66.7	-51.3	-56.4	0	0	111.9	E453 I454 A459 A460 D461 Y511 T512 Y517	E453-M457 HydrophobicContact CG-CG 4.48Å; E453-M457 WeakPolarHBondContact O-CB 3.43Å; E453-M457 VanDerWaalsContact O-CG 3.3Å; E453-M457 WeakPolarHBondContact O-CG 3.44Å; E453-M457 PolarHBondContact O-N 3.01Å; I454-M457 PolarHBondContact O-N 2.9Å; M457-A459 VanDerWaalsContact C-N 3.27Å; M457-A459 PolarHBondContact O-N 3.17Å; M457-A460 PolarHBondContact O-N 2.69Å; M457-A460 VanDerWaalsContact O-N 3.07Å; M457-D461 WeakPolarHBondContact O-CB 3.32Å; M457-D461 VanDerWaalsContact O-CG 3.27Å; M457-D461 PolarHBondContact O-N 2.75Å; M457-Y511 HydrophobicContact SD-CD1 3.98Å; M457-Y511 HydrophobicContact SD-CE1 4.35Å; M457-T512 HydrophobicContact CE-CG2 3.48Å; M457-T512 VanDerWaalsContact CE-CG2 3.48Å; M457-T512 HydrophobicContact SD-CG2 3.93Å; M457-Y517 HydrophobicContact CE-CE2 4.08Å; M457-Y517 WeakPolarHBondContact CE-OH 3.5Å
458	S	98.2	Very high	95.4	Very high	13 Å²	13	26.8 Å²	26.8	9%	0.091	13%	0.129	C	C	.	.	H	α-helix	trans	-58.2	-40.1	176.5	-58.3	0	0	0	0	112	E175 I454 W462	E175-S458 WeakPolarHBondContact O-CB 3.48Å; I454-S458 VanDerWaalsContact O-CB 3.26Å; I454-S458 WeakPolarHBondContact O-CB 3.41Å; I454-S458 PolarHBondContact O-N 3.36Å; I454-S458 PolarHBondContact O-OG 2.92Å; S458-W462 WeakPolarHBondContact O-CB 3.44Å; S458-W462 PolarHBondContact O-N 3.35Å
459	A	98.7	Very high	96	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.9	-43.4	175	0	0	0	0	0	112.1	I194 F197 R455 F456 M457 W462 F463 L504	I194-A459 HydrophobicContact CG2-CB 4.14Å; F197-A459 HydrophobicContact CD1-CB 4.11Å; R455-A459 PolarHBondContact O-N 3.3Å; F456-A459 PolarHBondContact O-N 3.47Å; M457-A459 VanDerWaalsContact C-N 3.27Å; M457-A459 PolarHBondContact O-N 3.17Å; A459-W462 WeakPolarHBondContact O-CB 3.27Å; A459-W462 PolarHBondContact O-N 2.89Å; A459-F463 WeakPolarHBondContact O-CD2 3.25Å; A459-F463 PolarHBondContact O-N 3.13Å; A459-L504 HydrophobicContact CB-CD2 3.93Å
460	A	98.8	Very high	96.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.7	-46.3	178	0	0	0	0	0	112	F456 M457 W462 F463 I464 A508 Y517	F456-A460 PolarHBondContact O-N 2.91Å; F456-A460 VanDerWaalsContact O-N 3.14Å; M457-A460 PolarHBondContact O-N 2.69Å; M457-A460 VanDerWaalsContact O-N 3.07Å; A460-W462 VanDerWaalsContact C-N 3.26Å; A460-W462 PolarHBondContact O-N 3.29Å; A460-F463 WeakPolarHBondContact O-CB 3.31Å; A460-F463 PolarHBondContact O-N 3.24Å; A460-I464 PolarHBondContact O-N 3.28Å; A460-I464 VanDerWaalsContact O-N 3.17Å; A460-A508 HydrophobicContact CB-CB 3.66Å; A460-Y517 HydrophobicContact CB-CD1 4.29Å; A460-Y517 HydrophobicContact CB-CE1 3.69Å
461	D	98.3	Very high	96.6	Very high	64 Å²	64	37.8 Å²	37.8	34%	0.342	18%	0.178	S	C	.	.	H	α-helix	trans	-57.3	-40.2	175.7	-73	-28.6	0	0	0	111.1	M457 F463 I464 K465 Y517	M457-D461 WeakPolarHBondContact O-CB 3.32Å; M457-D461 VanDerWaalsContact O-CG 3.27Å; M457-D461 PolarHBondContact O-N 2.75Å; D461-F463 VanDerWaalsContact C-N 3.29Å; D461-F463 PolarHBondContact O-N 3.01Å; D461-I464 PolarHBondContact O-N 3.31Å; D461-I464 VanDerWaalsContact O-N 3.14Å; D461-K465 WeakPolarHBondContact O-CB 3.49Å; D461-K465 PolarHBondContact O-N 3.03Å; D461-Y517 PolarHBondContact OD1-OH 3.31Å
462	W	98.2	Very high	96.9	Very high	13 Å²	13	37.7 Å²	37.7	5%	0.049	18%	0.178	C	C	.	.	H	α-helix	trans	-58.6	-41.5	175.6	-173.6	91.9	0	0	0	112	V177 P189 P191 I194 S458 A459 A460 K465 H466 W474	V177-W462 HydrophobicContact CG1-CB 3.75Å; V177-W462 HydrophobicContact CG1-CG 4.01Å; V177-W462 HydrophobicContact CG2-CG 4.2Å; P189-W462 HydrophobicContact CB-CZ2 3.65Å; P189-W462 HydrophobicContact CG-CZ2 4.19Å; P191-W462 HydrophobicContact CB-CZ3 4.49Å; P191-W462 HydrophobicContact CG-CH2 3.99Å; P191-W462 HydrophobicContact CG-CZ3 4.24Å; I194-W462 HydrophobicContact CD1-CD2 3.67Å; I194-W462 HydrophobicContact CD1-CE3 3.8Å; I194-W462 HydrophobicContact CD1-CG 4.38Å; I194-W462 HydrophobicContact CD1-CH2 3.89Å; I194-W462 HydrophobicContact CD1-CZ2 3.74Å; I194-W462 HydrophobicContact CD1-CZ3 3.91Å; I194-W462 HydrophobicContact CG2-CB 4.49Å; I194-W462 HydrophobicContact CG2-CD2 4.23Å; I194-W462 HydrophobicContact CG2-CE3 4.01Å; I194-W462 HydrophobicContact CG2-CG 4.43Å; S458-W462 WeakPolarHBondContact O-CB 3.44Å; S458-W462 PolarHBondContact O-N 3.35Å; A459-W462 WeakPolarHBondContact O-CB 3.27Å; A459-W462 PolarHBondContact O-N 2.89Å; A460-W462 VanDerWaalsContact C-N 3.26Å; A460-W462 PolarHBondContact O-N 3.29Å; W462-K465 PolarHBondContact O-N 3.1Å; W462-H466 AromaticContact CD1-CE1 3.39Å; W462-H466 AromaticContact CD1-ND1 3.36Å; W462-H466 HydrophobicContact CD2-CB 4.38Å; W462-H466 AromaticContact CD2-ND1 3.64Å; W462-H466 AromaticContact CE2-CE1 3.89Å; W462-H466 AromaticContact CE2-CG 3.72Å; W462-H466 AromaticContact CE2-ND1 3.41Å; W462-H466 HydrophobicContact CE3-CB 4.48Å; W462-H466 AromaticContact CG-ND1 3.59Å; W462-H466 HydrophobicContact CH2-CB 4.04Å; W462-H466 HydrophobicContact CZ2-CB 3.93Å; W462-H466 AromaticContact CZ2-CG 3.86Å; W462-H466 HydrophobicContact CZ3-CB 4.32Å; W462-H466 AromaticContact NE1-CE1 3.26Å; W462-H466 PolarHBondContact NE1-CE1 3.49Å; W462-H466 VanDerWaalsContact NE1-CE1 3.26Å; W462-H466 AromaticContact NE1-CG 3.88Å; W462-H466 AromaticContact NE1-ND1 3.25Å; W462-H466 PolarHBondContact NE1-ND1 2.65Å; W462-H466 AromaticContact NE1-NE2 3.93Å; W462-H466 WeakPolarHBondContact O-CB 3.46Å; W462-H466 PolarHBondContact O-N 2.82Å; W462-H466 PolarHBondContact O-ND1 2.89Å; W462-W474 HydrophobicContact CZ3-CG 4.47Å
463	F	98.8	Very high	97.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-68.3	-33.8	176.6	-76.4	-69.2	0	0	0	112.6	P191 I194 A195 A459 A460 D461 Q467 W474 A501 L504 L505	P191-F463 HydrophobicContact CB-CE1 4.11Å; P191-F463 WeakPolarHBondContact O-CZ 3.48Å; I194-F463 HydrophobicContact CB-CE2 4.32Å; I194-F463 HydrophobicContact CB-CZ 4.24Å; I194-F463 HydrophobicContact CG2-CD2 4.48Å; I194-F463 HydrophobicContact CG2-CE2 3.8Å; I194-F463 HydrophobicContact CG2-CZ 4.17Å; A195-F463 HydrophobicContact CB-CE2 3.89Å; A195-F463 HydrophobicContact CB-CZ 3.66Å; A459-F463 WeakPolarHBondContact O-CD2 3.25Å; A459-F463 PolarHBondContact O-N 3.13Å; A460-F463 WeakPolarHBondContact O-CB 3.31Å; A460-F463 PolarHBondContact O-N 3.24Å; D461-F463 VanDerWaalsContact C-N 3.29Å; D461-F463 PolarHBondContact O-N 3.01Å; F463-Q467 WeakPolarHBondContact O-CB 3.33Å; F463-Q467 PolarHBondContact O-N 3Å; F463-W474 HydrophobicContact CB-CZ2 3.97Å; F463-W474 HydrophobicContact CD1-CB 4.49Å; F463-W474 AromaticContact CD1-CD1 3.6Å; F463-W474 AromaticContact CD1-CD2 3.44Å; F463-W474 HydrophobicContact CD1-CD2 3.44Å; F463-W474 VanDerWaalsContact CD1-CD2 3.44Å; F463-W474 AromaticContact CD1-CE2 3.4Å; F463-W474 HydrophobicContact CD1-CE3 4.05Å; F463-W474 AromaticContact CD1-CG 3.59Å; F463-W474 HydrophobicContact CD1-CG 3.59Å; F463-W474 AromaticContact CD1-CZ2 3.95Å; F463-W474 HydrophobicContact CD1-CZ2 3.95Å; F463-W474 AromaticContact CD1-NE1 3.48Å; F463-W474 HydrophobicContact CE1-CB 4.4Å; F463-W474 AromaticContact CE1-CD2 3.9Å; F463-W474 HydrophobicContact CE1-CD2 3.9Å; F463-W474 HydrophobicContact CE1-CE3 4.23Å; F463-W474 AromaticContact CE1-CG 3.92Å; F463-W474 HydrophobicContact CE1-CG 3.92Å; F463-W474 HydrophobicContact CG-CZ2 4.35Å; F463-W474 PolarHBondContact O-NE1 3.44Å; F463-A501 HydrophobicContact CD1-CB 3.76Å; F463-A501 HydrophobicContact CD2-CB 4.48Å; F463-A501 HydrophobicContact CE1-CB 3.52Å; F463-A501 HydrophobicContact CE2-CB 4.31Å; F463-A501 HydrophobicContact CG-CB 4.24Å; F463-A501 HydrophobicContact CZ-CB 3.83Å; F463-L504 HydrophobicContact CD2-CD2 3.65Å; F463-L504 HydrophobicContact CE2-CD2 3.6Å; F463-L505 HydrophobicContact CB-CD1 4.46Å; F463-L505 HydrophobicContact CB-CD2 4.09Å; F463-L505 HydrophobicContact CB-CG 4.49Å
464	I	98.2	Very high	97.3	Very high	31 Å²	31	35 Å²	35	16%	0.159	17%	0.165	C	C	.	.	H	α-helix	trans	-65.4	-46.5	173.2	-58.7	-52.8	0	0	0	111.1	A460 D461 L505 L516 Y517 A520	A460-I464 PolarHBondContact O-N 3.28Å; A460-I464 VanDerWaalsContact O-N 3.17Å; D461-I464 PolarHBondContact O-N 3.31Å; D461-I464 VanDerWaalsContact O-N 3.14Å; I464-L505 HydrophobicContact CD1-CD2 3.78Å; I464-L505 HydrophobicContact CG1-CD2 4.41Å; I464-L516 WeakPolarHBondContact CD1-O 3.44Å; I464-Y517 HydrophobicContact CD1-CD1 3.79Å; I464-Y517 HydrophobicContact CD1-CE1 4.29Å; I464-Y517 HydrophobicContact CG1-CD1 3.78Å; I464-Y517 HydrophobicContact CG1-CE1 3.75Å; I464-A520 HydrophobicContact CD1-CB 3.37Å
465	K	96.4	Very high	97.4	Very high	91 Å²	91	36.2 Å²	36.2	40%	0.396	17%	0.174	S	C	.	.	H	α-helix	trans	-68.6	-36.2	-175.5	-177.1	-179.2	166.9	-159.7	0	113.2	E175 E346 D461 W462	E175-K465 IonicContact OE1-NZ 2.72Å; E175-K465 PolarHBondContact OE1-NZ 3.06Å; E346-K465 VanDerWaalsContact CG-NZ 3.3Å; E346-K465 WeakPolarHBondContact OE1-CE 3.41Å; E346-K465 IonicContact OE1-NZ 3.35Å; E346-K465 PolarHBondContact OE1-NZ 3.27Å; E346-K465 IonicContact OE2-NZ 3.75Å; E346-K465 PolarHBondContact OE2-NZ 3.47Å; D461-K465 WeakPolarHBondContact O-CB 3.49Å; D461-K465 PolarHBondContact O-N 3.03Å; W462-K465 PolarHBondContact O-N 3.1Å
466	H	97.1	Very high	97.4	Very high	68 Å²	68	36.1 Å²	36.1	32%	0.315	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	12.6	-172.6	-59.2	90.3	0	0	0	114.4	E175 W462 D468	E175-H466 IonicContact OE1-CE1 2.86Å; E175-H466 PolarHBondContact OE1-CE1 2.98Å; E175-H466 IonicContact OE1-NE2 3.18Å; W462-H466 AromaticContact CD1-CE1 3.39Å; W462-H466 AromaticContact CD1-ND1 3.36Å; W462-H466 HydrophobicContact CD2-CB 4.38Å; W462-H466 AromaticContact CD2-ND1 3.64Å; W462-H466 AromaticContact CE2-CE1 3.89Å; W462-H466 AromaticContact CE2-CG 3.72Å; W462-H466 AromaticContact CE2-ND1 3.41Å; W462-H466 HydrophobicContact CE3-CB 4.48Å; W462-H466 AromaticContact CG-ND1 3.59Å; W462-H466 HydrophobicContact CH2-CB 4.04Å; W462-H466 HydrophobicContact CZ2-CB 3.93Å; W462-H466 AromaticContact CZ2-CG 3.86Å; W462-H466 HydrophobicContact CZ3-CB 4.32Å; W462-H466 AromaticContact NE1-CE1 3.26Å; W462-H466 PolarHBondContact NE1-CE1 3.49Å; W462-H466 VanDerWaalsContact NE1-CE1 3.26Å; W462-H466 AromaticContact NE1-CG 3.88Å; W462-H466 AromaticContact NE1-ND1 3.25Å; W462-H466 PolarHBondContact NE1-ND1 2.65Å; W462-H466 AromaticContact NE1-NE2 3.93Å; W462-H466 WeakPolarHBondContact O-CB 3.46Å; W462-H466 PolarHBondContact O-N 2.82Å; W462-H466 PolarHBondContact O-ND1 2.89Å; H466-D468 PolarHBondContact O-N 3.22Å
467	Q	98.5	Very high	97.3	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.037	20%	0.202	C	C	.	.			trans	-72	126.4	173.2	-165.1	174.9	36.2	0	0	110.3	F463 K469 G472 W474 A520 R523	F463-Q467 WeakPolarHBondContact O-CB 3.33Å; F463-Q467 PolarHBondContact O-N 3Å; Q467-K469 PolarHBondContact O-N 2.95Å; Q467-G472 WeakPolarHBondContact CG-O 3.41Å; Q467-G472 PolarHBondContact NE2-O 3.38Å; Q467-W474 VanDerWaalsContact CA-NE1 3.34Å; Q467-W474 HydrophobicContact CB-CZ2 4.24Å; Q467-W474 HydrophobicContact CG-CZ2 3.93Å; Q467-A520 PolarHBondContact NE2-O 2.68Å; Q467-R523 VanDerWaalsContact OE1-CZ 3.26Å
468	D	97.1	Very high	97.2	Very high	54 Å²	54	40.8 Å²	40.8	29%	0.289	20%	0.2	S	C	.	.			trans	-63.8	119.7	168.3	175.7	-8.2	0	0	0	109.2	H466 K470 S471 G472 G473 Y493	H466-D468 PolarHBondContact O-N 3.22Å; D468-K470 VanDerWaalsContact C-N 3.26Å; D468-K470 PolarHBondContact O-N 3.15Å; D468-K470 WeakPolarHBondContact OD1-CB 3.47Å; D468-K470 PolarHBondContact OD1-N 3.48Å; D468-S471 VanDerWaalsContact CB-OG 3.3Å; D468-S471 WeakPolarHBondContact CB-OG 3.28Å; D468-S471 PolarHBondContact OD1-N 3.02Å; D468-S471 WeakPolarHBondContact OD2-CB 3.45Å; D468-S471 PolarHBondContact OD2-OG 2.96Å; D468-G472 WeakPolarHBondContact O-CA 3.38Å; D468-G472 PolarHBondContact O-N 3.21Å; D468-G473 PolarHBondContact N-O 3.06Å; D468-Y493 PolarHBondContact OD2-OH 3.4Å
469	K	93.1	Very high	97.1	Very high	138 Å²	138	47.7 Å²	47.7	60%	0.6	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-22.6	-177.2	-59.2	-60.6	-178.8	-177.9	0	113.3	Q467	Q467-K469 PolarHBondContact O-N 2.95Å
470	K	94.5	Very high	96.9	Very high	195 Å²	195	49.2 Å²	49.2	85%	0.848	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-45.6	-179.6	-177	178.2	179.6	177.8	0	112.3	D468	D468-K470 VanDerWaalsContact C-N 3.26Å; D468-K470 PolarHBondContact O-N 3.15Å; D468-K470 WeakPolarHBondContact OD1-CB 3.47Å; D468-K470 PolarHBondContact OD1-N 3.48Å
471	S	95.3	Very high	96.4	Very high	22 Å²	22	51.7 Å²	51.7	15%	0.154	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-19.3	-178.7	63.6	0	0	0	0	113.6	D468 G473 Y493 L527	D468-S471 VanDerWaalsContact CB-OG 3.3Å; D468-S471 WeakPolarHBondContact CB-OG 3.28Å; D468-S471 PolarHBondContact OD1-N 3.02Å; D468-S471 WeakPolarHBondContact OD2-CB 3.45Å; D468-S471 PolarHBondContact OD2-OG 2.96Å; S471-G473 PolarHBondContact O-N 3.42Å; S471-G473 PolarHBondContact OG-N 2.8Å; S471-Y493 VanDerWaalsContact OG-CZ 3.28Å; S471-Y493 PolarHBondContact OG-OH 3.44Å; S471-L527 WeakPolarHBondContact O-CG 3.3Å
472	G	97.3	Very high	95.7	Very high	1 Å²	1	50 Å²	50	1%	0.01	24%	0.238	C	C	.	.			trans	73.6	2.9	-172.7	0	0	0	0	0	114.3	Q467 D468 R523 A524	Q467-G472 WeakPolarHBondContact CG-O 3.41Å; Q467-G472 PolarHBondContact NE2-O 3.38Å; D468-G472 WeakPolarHBondContact O-CA 3.38Å; D468-G472 PolarHBondContact O-N 3.21Å; G472-R523 WeakPolarHBondContact CA-O 3.42Å; G472-A524 VanDerWaalsContact O-CA 3.3Å; G472-A524 WeakPolarHBondContact O-CA 3.45Å
473	G	97.9	Very high	94.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-98.4	178.2	-176.1	0	0	0	0	0	115.8	D468 S471 L527	D468-G473 PolarHBondContact N-O 3.06Å; S471-G473 PolarHBondContact O-N 3.42Å; S471-G473 PolarHBondContact OG-N 2.8Å; G473-L527 VanDerWaalsContact CA-CD1 3.44Å
474	W	98.5	Very high	93.3	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.015	29%	0.286	C	S	.	.			trans	-117.6	101.4	169.4	-57.6	-82.2	0	0	0	110.1	P191 W462 F463 Q467 A501 L505 A524	P191-W474 HydrophobicContact CB-CB 3.91Å; P191-W474 HydrophobicContact CG-CB 3.71Å; W462-W474 HydrophobicContact CZ3-CG 4.47Å; F463-W474 HydrophobicContact CB-CZ2 3.97Å; F463-W474 HydrophobicContact CD1-CB 4.49Å; F463-W474 AromaticContact CD1-CD1 3.6Å; F463-W474 AromaticContact CD1-CD2 3.44Å; F463-W474 HydrophobicContact CD1-CD2 3.44Å; F463-W474 VanDerWaalsContact CD1-CD2 3.44Å; F463-W474 AromaticContact CD1-CE2 3.4Å; F463-W474 HydrophobicContact CD1-CE3 4.05Å; F463-W474 AromaticContact CD1-CG 3.59Å; F463-W474 HydrophobicContact CD1-CG 3.59Å; F463-W474 AromaticContact CD1-CZ2 3.95Å; F463-W474 HydrophobicContact CD1-CZ2 3.95Å; F463-W474 AromaticContact CD1-NE1 3.48Å; F463-W474 HydrophobicContact CE1-CB 4.4Å; F463-W474 AromaticContact CE1-CD2 3.9Å; F463-W474 HydrophobicContact CE1-CD2 3.9Å; F463-W474 HydrophobicContact CE1-CE3 4.23Å; F463-W474 AromaticContact CE1-CG 3.92Å; F463-W474 HydrophobicContact CE1-CG 3.92Å; F463-W474 HydrophobicContact CG-CZ2 4.35Å; F463-W474 PolarHBondContact O-NE1 3.44Å; Q467-W474 VanDerWaalsContact CA-NE1 3.34Å; Q467-W474 HydrophobicContact CB-CZ2 4.24Å; Q467-W474 HydrophobicContact CG-CZ2 3.93Å; W474-A501 HydrophobicContact CD2-CB 4.36Å; W474-A501 HydrophobicContact CE3-CB 3.62Å; W474-A501 HydrophobicContact CH2-CB 3.72Å; W474-A501 HydrophobicContact CZ2-CB 4.42Å; W474-A501 HydrophobicContact CZ3-CB 3.28Å; W474-L505 HydrophobicContact CH2-CD1 3.68Å; W474-L505 HydrophobicContact CZ2-CD1 3.82Å; W474-A524 HydrophobicContact CH2-CB 3.7Å; W474-A524 HydrophobicContact CZ3-CB 3.88Å
475	S	97.5	Very high	92.4	Very high	35 Å²	35	56.8 Å²	56.8	25%	0.245	28%	0.283	C	S	.	.			trans	-71.5	145.9	-174.8	65.7	0	0	0	0	111.7	N477 Y493	S475-N477 PolarHBondContact OG-OD1 3.44Å; S475-Y493 VanDerWaalsContact N-CE1 3.32Å
476	V	97.9	Very high	91.9	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.006	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-99.4	109.3	175.5	-175	0	0	0	0	109.4	Y188 Y190 P191 V478 G491 W492	Y188-V476 HydrophobicContact CE2-CG1 4Å; Y190-V476 HydrophobicContact CD2-CG1 3.94Å; Y190-V476 HydrophobicContact CD2-CG2 4.06Å; Y190-V476 HydrophobicContact CE2-CG1 4.05Å; Y190-V476 HydrophobicContact CE2-CG2 3.92Å; P191-V476 HydrophobicContact CG-CG2 4.29Å; V476-V478 HydrophobicContact CG1-CG2 3.68Å; V476-V478 PolarHBondContact O-N 2.63Å; V476-G491 PolarHBondContact O-N 2.99Å; V476-W492 HydrophobicContact CB-CD2 3.79Å; V476-W492 HydrophobicContact CB-CE3 3.98Å; V476-W492 HydrophobicContact CB-CG 4.48Å; V476-W492 HydrophobicContact CB-CH2 3.76Å; V476-W492 HydrophobicContact CB-CZ2 3.56Å; V476-W492 HydrophobicContact CB-CZ3 3.97Å; V476-W492 HydrophobicContact CG1-CD2 4.42Å; V476-W492 HydrophobicContact CG1-CH2 3.67Å; V476-W492 HydrophobicContact CG1-CZ2 3.26Å; V476-W492 HydrophobicContact CG1-CZ3 4.39Å; V476-W492 HydrophobicContact CG2-CD2 4.25Å; V476-W492 HydrophobicContact CG2-CE3 3.91Å; V476-W492 HydrophobicContact CG2-CH2 3.68Å; V476-W492 HydrophobicContact CG2-CZ2 4.04Å; V476-W492 HydrophobicContact CG2-CZ3 3.61Å; V476-W492 PolarHBondContact N-O 3Å
477	N	95.5	Very high	91.6	Very high	110 Å²	110	58.2 Å²	58.2	59%	0.588	29%	0.291	S	S	*	.			trans	-85.8	38.9	-171.5	-67.8	-33.3	0	0	0	114.1	S475	S475-N477 PolarHBondContact OG-OD1 3.44Å
478	V	95.8	Very high	91.5	Very high	8 Å²	8	58.7 Å²	58.7	5%	0.048	29%	0.294	C	S	.	.	S	Bend	trans	-137.7	152.3	174.3	-67.1	0	0	0	0	111.2	W183 D184 Y188 V476 W492	W183-V478 HydrophobicContact CB-CG2 4.01Å; D184-V478 HydrophobicContact CB-CB 4.43Å; D184-V478 HydrophobicContact CB-CG1 3.9Å; Y188-V478 HydrophobicContact CD1-CG1 3.56Å; Y188-V478 HydrophobicContact CD1-CG2 4.29Å; Y188-V478 HydrophobicContact CD2-CG1 3.85Å; Y188-V478 HydrophobicContact CD2-CG2 3.89Å; Y188-V478 HydrophobicContact CE1-CB 4.49Å; Y188-V478 HydrophobicContact CE1-CG1 3.98Å; Y188-V478 HydrophobicContact CE1-CG2 3.91Å; Y188-V478 HydrophobicContact CE2-CG1 4.24Å; Y188-V478 HydrophobicContact CE2-CG2 3.47Å; Y188-V478 VanDerWaalsContact CE2-CG2 3.47Å; Y188-V478 HydrophobicContact CG-CG1 3.51Å; Y188-V478 HydrophobicContact CG-CG2 4.3Å; V476-V478 HydrophobicContact CG1-CG2 3.68Å; V476-V478 PolarHBondContact O-N 2.63Å; V478-W492 PolarHBondContact O-NE1 3.32Å
479	R	96	Very high	91.4	Very high	158 Å²	158	63.7 Å²	63.7	60%	0.596	31%	0.313	S	S	*	.			trans	-70.2	138.1	177.1	-178.9	176.9	-179.2	-103.8	-1.9	110.3	S481 A487 L488	R479-S481 PolarHBondContact NH1-OG 3Å; R479-S481 PolarHBondContact NH2-OG 3.26Å; R479-A487 HydrophobicContact CG-CB 4.18Å; R479-A487 VanDerWaalsContact CZ-CB 3.49Å; R479-A487 VanDerWaalsContact NE-CB 3.34Å; R479-L488 VanDerWaalsContact CA-O 3.32Å; R479-L488 WeakPolarHBondContact CA-O 3.22Å; R479-L488 WeakPolarHBondContact CG-O 3.46Å
480	R	93.9	Very high	91.6	Very high	32 Å²	32	61 Å²	61	12%	0.121	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-121.3	127.1	168.8	-177	62	-178	-73.4	1.4	110.6	W183 A487 L488 W492 F555	W183-R480 VanDerWaalsContact CH2-NH1 3.35Å; W183-R480 VanDerWaalsContact CZ3-CZ 3.46Å; R480-A487 CarbonylContact O-C 3.58Å; R480-A487 WeakPolarHBondContact O-CA 3.43Å; R480-A487 WeakPolarHBondContact O-CB 3.08Å; R480-L488 HydrophobicContact CB-CB 4.23Å; R480-L488 HydrophobicContact CB-CD1 4.29Å; R480-L488 PolarHBondContact N-O 3.39Å; R480-L488 VanDerWaalsContact N-O 3.08Å; R480-L488 PolarHBondContact O-N 3.32Å; R480-W492 HydrophobicContact CB-CZ2 4.1Å; R480-F555 HydrophobicContact CG-CE2 4.3Å; R480-F555 HydrophobicContact CG-CZ 3.88Å
481	S	89.7	Confident	91.7	Very high	53 Å²	53	53.1 Å²	53.1	37%	0.371	28%	0.284	S	S	.	.			trans	-113.3	145.5	178.8	-57	0	0	0	0	111.1	R479	R479-S481 PolarHBondContact NH1-OG 3Å; R479-S481 PolarHBondContact NH2-OG 3.26Å
482	L	83.3	Confident	91.8	Very high	27 Å²	27	52.7 Å²	52.7	14%	0.141	28%	0.279	C	S	.	.			trans	-136.5	136.9	168.9	-165.8	69.1	0	0	0	107.9	G484 R485 F555 I559	L482-G484 PolarHBondContact O-N 2.62Å; L482-R485 PolarHBondContact O-N 3.3Å; L482-F555 HydrophobicContact CB-CE1 3.86Å; L482-F555 HydrophobicContact CB-CE2 3.92Å; L482-F555 HydrophobicContact CB-CZ 3.51Å; L482-F555 HydrophobicContact CD2-CD2 4.41Å; L482-F555 HydrophobicContact CD2-CE2 4.3Å; L482-I559 HydrophobicContact CD2-CD1 4.37Å; L482-I559 HydrophobicContact CD2-CG2 3.91Å
483	N	74.1	Confident	91.9	Very high	125 Å²	125	53.9 Å²	53.9	67%	0.668	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	139.8	179	-67.1	-10.9	0	0	0	110.3	R485	N483-R485 VanDerWaalsContact C-N 3.27Å; N483-R485 PolarHBondContact O-N 2.92Å
484	G	71.3	Confident	91.9	Very high	38 Å²	38	54 Å²	54	39%	0.392	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	7	-179.5	0	0	0	0	0	115.2	L482	L482-G484 PolarHBondContact O-N 2.62Å
485	R	80.7	Confident	91.9	Very high	25 Å²	25	53.8 Å²	53.8	9%	0.094	28%	0.283	C	S	.	.	S	Bend	trans	-133.6	154	178.9	-64.2	-173.2	174.6	60.2	1.6	112.3	L482 N483 A487 F555 P557 I559 R623	L482-R485 PolarHBondContact O-N 3.3Å; N483-R485 VanDerWaalsContact C-N 3.27Å; N483-R485 PolarHBondContact O-N 2.92Å; R485-A487 PolarHBondContact O-N 3.2Å; R485-F555 HydrophobicContact CB-CD1 4.15Å; R485-P557 WeakPolarHBondContact CD-O 3.4Å; R485-P557 PolarHBondContact NE-O 2.9Å; R485-I559 VanDerWaalsContact CZ-CG2 3.46Å; R485-R623 PolarHBondContact NH2-O 3.48Å
486	K	85.2	Confident	92	Very high	169 Å²	169	52.5 Å²	52.5	74%	0.735	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-61.1	128.9	169	-173.5	176.6	-179.1	177.6	0	108.8
487	A	91.5	Very high	92	Very high	19 Å²	19	52.5 Å²	52.5	16%	0.157	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-66.1	142.1	179.2	0	0	0	0	0	111.5	R479 R480 R485 K489	R479-A487 HydrophobicContact CG-CB 4.18Å; R479-A487 VanDerWaalsContact CZ-CB 3.49Å; R479-A487 VanDerWaalsContact NE-CB 3.34Å; R480-A487 CarbonylContact O-C 3.58Å; R480-A487 WeakPolarHBondContact O-CA 3.43Å; R480-A487 WeakPolarHBondContact O-CB 3.08Å; R485-A487 PolarHBondContact O-N 3.2Å; A487-K489 PolarHBondContact O-N 3.43Å
488	L	95.5	Very high	92.2	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.099	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-68.3	122.6	170.2	-55.5	-178.3	0	0	0	108.7	R479 R480 W492 P554 F555	R479-L488 VanDerWaalsContact CA-O 3.32Å; R479-L488 WeakPolarHBondContact CA-O 3.22Å; R479-L488 WeakPolarHBondContact CG-O 3.46Å; R480-L488 HydrophobicContact CB-CB 4.23Å; R480-L488 HydrophobicContact CB-CD1 4.29Å; R480-L488 PolarHBondContact N-O 3.39Å; R480-L488 VanDerWaalsContact N-O 3.08Å; R480-L488 PolarHBondContact O-N 3.32Å; L488-W492 HydrophobicContact CB-CB 4.32Å; L488-W492 HydrophobicContact CB-CG 3.94Å; L488-W492 HydrophobicContact CD1-CB 4.33Å; L488-W492 HydrophobicContact CD1-CD2 4Å; L488-W492 HydrophobicContact CD1-CE3 4.38Å; L488-W492 HydrophobicContact CD1-CG 3.96Å; L488-P554 HydrophobicContact CD1-CG 4.25Å; L488-P554 HydrophobicContact CD2-CG 4.49Å; L488-P554 WeakPolarHBondContact CD2-O 3.35Å; L488-F555 HydrophobicContact CD1-CD1 4.46Å; L488-F555 HydrophobicContact CD1-CD2 4.41Å; L488-F555 HydrophobicContact CD1-CE1 4.31Å; L488-F555 HydrophobicContact CD1-CE2 4.26Å; L488-F555 HydrophobicContact CD1-CZ 4.21Å; L488-F555 HydrophobicContact CD2-CD1 3.91Å; L488-F555 HydrophobicContact CD2-CE1 4.25Å; L488-F555 HydrophobicContact CD2-CG 4.31Å; L488-F555 HydrophobicContact CG-CD1 3.88Å; L488-F555 HydrophobicContact CG-CE1 3.72Å; L488-F555 HydrophobicContact CG-CG 4.37Å; L488-F555 HydrophobicContact CG-CZ 4.07Å
489	K	95.6	Very high	92.3	Very high	159 Å²	159	47 Å²	47	69%	0.691	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-73.8	149.6	172.1	-64.3	-177.1	178.9	-176.7	0	109.4	A487 G491 W492	A487-K489 PolarHBondContact O-N 3.43Å; K489-G491 PolarHBondContact O-N 3.42Å; K489-W492 VanDerWaalsContact O-CD1 3.27Å
490	P	97.3	Very high	92.4	Very high	81 Å²	81	39.4 Å²	39.4	53%	0.526	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.3	139.2	172.4	-28.9	35.8	0	0	0	112.4
491	G	96.6	Very high	92.7	Very high	29 Å²	29	37.9 Å²	37.9	30%	0.299	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.4	6.5	-177.2	0	0	0	0	0	114.8	V476 K489	V476-G491 PolarHBondContact O-N 2.99Å; K489-G491 PolarHBondContact O-N 3.42Å
492	W	97.5	Very high	93.1	Very high	13 Å²	13	35.4 Å²	35.4	5%	0.049	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-75.9	150.4	177.7	56.3	-89.5	0	0	0	112.2	Y190 V476 V478 R480 L488 K489 Y553 P554	Y190-W492 AromaticContact CE2-CH2 3.95Å; Y190-W492 HydrophobicContact CE2-CH2 3.95Å; V476-W492 HydrophobicContact CB-CD2 3.79Å; V476-W492 HydrophobicContact CB-CE3 3.98Å; V476-W492 HydrophobicContact CB-CG 4.48Å; V476-W492 HydrophobicContact CB-CH2 3.76Å; V476-W492 HydrophobicContact CB-CZ2 3.56Å; V476-W492 HydrophobicContact CB-CZ3 3.97Å; V476-W492 HydrophobicContact CG1-CD2 4.42Å; V476-W492 HydrophobicContact CG1-CH2 3.67Å; V476-W492 HydrophobicContact CG1-CZ2 3.26Å; V476-W492 HydrophobicContact CG1-CZ3 4.39Å; V476-W492 HydrophobicContact CG2-CD2 4.25Å; V476-W492 HydrophobicContact CG2-CE3 3.91Å; V476-W492 HydrophobicContact CG2-CH2 3.68Å; V476-W492 HydrophobicContact CG2-CZ2 4.04Å; V476-W492 HydrophobicContact CG2-CZ3 3.61Å; V476-W492 PolarHBondContact N-O 3Å; V478-W492 PolarHBondContact O-NE1 3.32Å; R480-W492 HydrophobicContact CB-CZ2 4.1Å; L488-W492 HydrophobicContact CB-CB 4.32Å; L488-W492 HydrophobicContact CB-CG 3.94Å; L488-W492 HydrophobicContact CD1-CB 4.33Å; L488-W492 HydrophobicContact CD1-CD2 4Å; L488-W492 HydrophobicContact CD1-CE3 4.38Å; L488-W492 HydrophobicContact CD1-CG 3.96Å; K489-W492 VanDerWaalsContact O-CD1 3.27Å; W492-Y553 HydrophobicContact CE3-CD1 4.43Å; W492-Y553 AromaticContact CH2-CD1 3.67Å; W492-Y553 HydrophobicContact CH2-CD1 3.67Å; W492-Y553 AromaticContact CH2-CE1 3.71Å; W492-Y553 HydrophobicContact CH2-CE1 3.71Å; W492-Y553 AromaticContact CZ3-CD1 3.61Å; W492-Y553 HydrophobicContact CZ3-CD1 3.61Å; W492-Y553 AromaticContact CZ3-CE1 3.96Å; W492-Y553 HydrophobicContact CZ3-CE1 3.96Å; W492-P554 HydrophobicContact CB-CG 4.16Å
493	Y	98.3	Very high	93.9	Very high	27 Å²	27	34.1 Å²	34.1	11%	0.106	19%	0.185	C	C	.	.			trans	-103.4	160.1	176.2	-59	-84.4	0	0	0	111.7	D468 S471 S475 L527 P554	D468-Y493 PolarHBondContact OD2-OH 3.4Å; S471-Y493 VanDerWaalsContact OG-CZ 3.28Å; S471-Y493 PolarHBondContact OG-OH 3.44Å; S475-Y493 VanDerWaalsContact N-CE1 3.32Å; Y493-L527 HydrophobicContact CD1-CD1 3.55Å; Y493-L527 HydrophobicContact CD2-CD1 4.14Å; Y493-L527 HydrophobicContact CD2-CD2 3.99Å; Y493-L527 HydrophobicContact CE1-CD1 4.18Å; Y493-L527 HydrophobicContact CE2-CD2 4.47Å; Y493-L527 HydrophobicContact CG-CD1 3.52Å; Y493-L527 HydrophobicContact CG-CD2 4.18Å; Y493-P554 WeakPolarHBondContact O-CD 3.45Å; Y493-P554 WeakPolarHBondContact O-CG 3.27Å
494	S	98.6	Very high	95	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.014	15%	0.153	C	C	.	.			trans	-125.4	128.8	-179.5	-178.3	0	0	0	0	111.2	I192 M496 G497 Q498 E552	I192-S494 VanDerWaalsContact CD1-OG 3.29Å; I192-S494 WeakPolarHBondContact CD1-OG 3.39Å; S494-M496 VanDerWaalsContact C-N 3.29Å; S494-M496 PolarHBondContact O-N 3.48Å; S494-M496 PolarHBondContact OG-N 3.16Å; S494-G497 WeakPolarHBondContact O-CA 2.89Å; S494-G497 PolarHBondContact O-N 2.97Å; S494-G497 VanDerWaalsContact O-N 3.09Å; S494-G497 PolarHBondContact OG-N 2.97Å; S494-Q498 WeakPolarHBondContact O-CG 3.17Å; S494-Q498 PolarHBondContact O-N 2.89Å; S494-E552 WeakPolarHBondContact CA-O 3Å; S494-E552 WeakPolarHBondContact CB-O 3.38Å; S494-E552 PolarHBondContact OG-O 3.34Å
495	A	98.8	Very high	96.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.2	-40.4	173.5	0	0	0	0	0	112.9	G497 Q498 G499 I537 F550 E551 S568	A495-G497 VanDerWaalsContact C-N 3.32Å; A495-G497 PolarHBondContact O-N 3.3Å; A495-Q498 PolarHBondContact O-N 3.19Å; A495-G499 PolarHBondContact O-N 3.48Å; A495-I537 HydrophobicContact CB-CB 4.26Å; A495-I537 HydrophobicContact CB-CD1 3.83Å; A495-F550 VanDerWaalsContact CB-C 3.43Å; A495-F550 HydrophobicContact CB-CB 3.51Å; A495-F550 WeakPolarHBondContact CB-O 3.13Å; A495-E551 WeakPolarHBondContact CB-O 3.13Å; A495-E551 PolarHBondContact N-O 3.39Å; A495-S568 VanDerWaalsContact O-CB 3.29Å; A495-S568 WeakPolarHBondContact O-CB 2.87Å
496	M	98.6	Very high	97.2	Very high	8 Å²	8	25.1 Å²	25.1	4%	0.039	13%	0.13	C	C	.	.	H	α-helix	trans	-63	-41.6	174.5	-178.6	169.3	171.7	0	0	111.3	I192 S494 G499 Q500 E552 Y567	I192-M496 HydrophobicContact CD1-CB 4.16Å; I192-M496 HydrophobicContact CD1-CG 4.3Å; I192-M496 HydrophobicContact CD1-SD 4.44Å; I192-M496 HydrophobicContact CG2-CE 3.76Å; I192-M496 HydrophobicContact CG2-CG 4.26Å; I192-M496 HydrophobicContact CG2-SD 4.21Å; S494-M496 VanDerWaalsContact C-N 3.29Å; S494-M496 PolarHBondContact O-N 3.48Å; S494-M496 PolarHBondContact OG-N 3.16Å; M496-G499 PolarHBondContact O-N 3.19Å; M496-Q500 VanDerWaalsContact CE-OE1 3.29Å; M496-Q500 HydrophobicContact CG-CG 4.44Å; M496-Q500 WeakPolarHBondContact O-CB 2.93Å; M496-Q500 WeakPolarHBondContact O-CG 3.3Å; M496-Q500 PolarHBondContact O-N 3.4Å; M496-E552 HydrophobicContact CB-CB 4.38Å; M496-E552 HydrophobicContact CB-CG 3.86Å; M496-E552 HydrophobicContact SD-CG 4.23Å; M496-Y567 HydrophobicContact CE-CD2 3.32Å; M496-Y567 HydrophobicContact CE-CE2 3.5Å; M496-Y567 VanDerWaalsContact CE-CE2 3.5Å; M496-Y567 HydrophobicContact CE-CG 4.22Å; M496-Y567 HydrophobicContact CG-CD2 4.06Å; M496-Y567 HydrophobicContact CG-CG 4.36Å; M496-Y567 HydrophobicContact SD-CD2 3.79Å; M496-Y567 HydrophobicContact SD-CE2 4.43Å
497	G	98.5	Very high	97.8	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-60.2	-46.9	174.8	0	0	0	0	0	112	S494 A495 A501	S494-G497 WeakPolarHBondContact O-CA 2.89Å; S494-G497 PolarHBondContact O-N 2.97Å; S494-G497 VanDerWaalsContact O-N 3.09Å; S494-G497 PolarHBondContact OG-N 2.97Å; A495-G497 VanDerWaalsContact C-N 3.32Å; A495-G497 PolarHBondContact O-N 3.3Å; G497-A501 WeakPolarHBondContact O-CB 3.43Å; G497-A501 PolarHBondContact O-N 2.64Å
498	Q	98.7	Very high	98.2	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-59.9	-51	176.6	-67.6	-53.5	105.9	0	0	111.5	S494 A495 A501 I502 A524 L527 F528 I537	S494-Q498 WeakPolarHBondContact O-CG 3.17Å; S494-Q498 PolarHBondContact O-N 2.89Å; A495-Q498 PolarHBondContact O-N 3.19Å; Q498-A501 PolarHBondContact O-N 3.24Å; Q498-I502 WeakPolarHBondContact O-CB 3.44Å; Q498-I502 WeakPolarHBondContact O-CD1 3.43Å; Q498-I502 VanDerWaalsContact O-CG1 3.22Å; Q498-I502 WeakPolarHBondContact O-CG1 3.48Å; Q498-I502 PolarHBondContact O-N 2.88Å; Q498-A524 PolarHBondContact NE2-O 3Å; Q498-A524 VanDerWaalsContact NE2-O 3.17Å; Q498-L527 HydrophobicContact CG-CD1 4.08Å; Q498-F528 HydrophobicContact CB-CE2 3.86Å; Q498-F528 HydrophobicContact CB-CZ 3.94Å; Q498-I537 HydrophobicContact CB-CD1 4.49Å; Q498-I537 HydrophobicContact CG-CD1 4.08Å
499	G	98.8	Very high	98.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.8	-47.9	-178.7	0	0	0	0	0	113.6	A495 M496 A501 I502 S503 G571	A495-G499 PolarHBondContact O-N 3.48Å; M496-G499 PolarHBondContact O-N 3.19Å; G499-A501 VanDerWaalsContact C-N 3.35Å; G499-A501 PolarHBondContact O-N 2.83Å; G499-I502 PolarHBondContact O-N 3.2Å; G499-S503 PolarHBondContact O-N 3.5Å; G499-S503 PolarHBondContact O-OG 3.5Å; G499-G571 VanDerWaalsContact O-CA 3.22Å; G499-G571 WeakPolarHBondContact O-CA 3.31Å
500	Q	98.8	Very high	98.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-68.6	-35.1	-179.4	-65.3	-169.5	-54.1	0	0	112	A195 L199 M496 S503 L504 Y567	A195-Q500 HydrophobicContact CB-CB 3.57Å; L199-Q500 HydrophobicContact CD1-CB 4.08Å; M496-Q500 VanDerWaalsContact CE-OE1 3.29Å; M496-Q500 HydrophobicContact CG-CG 4.44Å; M496-Q500 WeakPolarHBondContact O-CB 2.93Å; M496-Q500 WeakPolarHBondContact O-CG 3.3Å; M496-Q500 PolarHBondContact O-N 3.4Å; Q500-S503 PolarHBondContact O-N 2.97Å; Q500-L504 WeakPolarHBondContact O-CB 3.12Å; Q500-L504 PolarHBondContact O-N 2.9Å; Q500-Y567 HydrophobicContact CG-CD1 4.32Å; Q500-Y567 HydrophobicContact CG-CG 4.29Å
501	A	98.9	Very high	98.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.8	-44.4	172.5	0	0	0	0	0	111.4	F463 W474 G497 Q498 G499 L504 L505	F463-A501 HydrophobicContact CD1-CB 3.76Å; F463-A501 HydrophobicContact CD2-CB 4.48Å; F463-A501 HydrophobicContact CE1-CB 3.52Å; F463-A501 HydrophobicContact CE2-CB 4.31Å; F463-A501 HydrophobicContact CG-CB 4.24Å; F463-A501 HydrophobicContact CZ-CB 3.83Å; W474-A501 HydrophobicContact CD2-CB 4.36Å; W474-A501 HydrophobicContact CE3-CB 3.62Å; W474-A501 HydrophobicContact CH2-CB 3.72Å; W474-A501 HydrophobicContact CZ2-CB 4.42Å; W474-A501 HydrophobicContact CZ3-CB 3.28Å; G497-A501 WeakPolarHBondContact O-CB 3.43Å; G497-A501 PolarHBondContact O-N 2.64Å; Q498-A501 PolarHBondContact O-N 3.24Å; G499-A501 VanDerWaalsContact C-N 3.35Å; G499-A501 PolarHBondContact O-N 2.83Å; A501-L504 WeakPolarHBondContact O-CB 2.94Å; A501-L504 PolarHBondContact O-N 3.48Å; A501-L504 VanDerWaalsContact O-N 3.16Å; A501-L505 WeakPolarHBondContact O-CB 3.32Å; A501-L505 WeakPolarHBondContact O-CG 3.49Å; A501-L505 PolarHBondContact O-N 2.77Å
502	I	98.9	Very high	98.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.9	-49.3	174.5	-69.4	165	0	0	0	110.8	Q498 G499 L504 L505 V506 A524 L525 F528 G571 Y575	Q498-I502 WeakPolarHBondContact O-CB 3.44Å; Q498-I502 WeakPolarHBondContact O-CD1 3.43Å; Q498-I502 VanDerWaalsContact O-CG1 3.22Å; Q498-I502 WeakPolarHBondContact O-CG1 3.48Å; Q498-I502 PolarHBondContact O-N 2.88Å; G499-I502 PolarHBondContact O-N 3.2Å; I502-L504 PolarHBondContact O-N 3.33Å; I502-L505 PolarHBondContact O-N 2.95Å; I502-V506 HydrophobicContact CG2-CG2 4.3Å; I502-V506 WeakPolarHBondContact O-CB 3.47Å; I502-V506 WeakPolarHBondContact O-CG2 3.49Å; I502-V506 PolarHBondContact O-N 3.48Å; I502-A524 HydrophobicContact CD1-CB 3.94Å; I502-A524 HydrophobicContact CG1-CB 3.78Å; I502-L525 HydrophobicContact CD1-CD2 4.39Å; I502-F528 HydrophobicContact CD1-CE2 3.9Å; I502-F528 HydrophobicContact CD1-CZ 4.43Å; I502-G571 VanDerWaalsContact CG2-O 3.25Å; I502-G571 WeakPolarHBondContact CG2-O 3.28Å; I502-Y575 HydrophobicContact CG2-CD2 4.45Å; I502-Y575 HydrophobicContact CG2-CG 4.3Å
503	S	98.8	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-56.2	-36.7	175.7	-77.4	0	0	0	0	113.1	Y154 G499 Q500 R507 G571 D574	Y154-S503 WeakPolarHBondContact CE2-OG 3.25Å; G499-S503 PolarHBondContact O-N 3.5Å; G499-S503 PolarHBondContact O-OG 3.5Å; Q500-S503 PolarHBondContact O-N 2.97Å; S503-R507 WeakPolarHBondContact O-CD 3.5Å; S503-R507 WeakPolarHBondContact O-CG 3.31Å; S503-R507 PolarHBondContact O-N 3.27Å; S503-R507 PolarHBondContact O-NH1 2.61Å; S503-G571 WeakPolarHBondContact OG-CA 3.41Å; S503-D574 VanDerWaalsContact CB-OD2 3.25Å; S503-D574 WeakPolarHBondContact CB-OD2 3.22Å; S503-D574 PolarHBondContact OG-OD2 2.64Å
504	L	98.9	Very high	98.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-70.8	-47.2	177.3	178.7	67.4	0	0	0	111.3	G198 L199 F456 A459 F463 Q500 A501 I502 R507 A508	G198-L504 VanDerWaalsContact C-CD1 3.48Å; L199-L504 HydrophobicContact CD2-CB 4.1Å; L199-L504 HydrophobicContact CD2-CD1 4.28Å; L199-L504 HydrophobicContact CG-CB 4.2Å; L199-L504 HydrophobicContact CG-CD1 4.25Å; F456-L504 HydrophobicContact CD2-CD1 3.68Å; F456-L504 HydrophobicContact CE2-CD1 3.57Å; A459-L504 HydrophobicContact CB-CD2 3.93Å; F463-L504 HydrophobicContact CD2-CD2 3.65Å; F463-L504 HydrophobicContact CE2-CD2 3.6Å; Q500-L504 WeakPolarHBondContact O-CB 3.12Å; Q500-L504 PolarHBondContact O-N 2.9Å; A501-L504 WeakPolarHBondContact O-CB 2.94Å; A501-L504 PolarHBondContact O-N 3.48Å; A501-L504 VanDerWaalsContact O-N 3.16Å; I502-L504 PolarHBondContact O-N 3.33Å; L504-R507 WeakPolarHBondContact O-CB 3.22Å; L504-R507 PolarHBondContact O-N 2.7Å; L504-A508 PolarHBondContact O-N 3.08Å
505	L	98.9	Very high	98.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.1	-37.5	-178.6	-69.6	168.7	0	0	0	112	F463 I464 W474 A501 I502 R507 A508 Y509 Y517 A520 C521	F463-L505 HydrophobicContact CB-CD1 4.46Å; F463-L505 HydrophobicContact CB-CD2 4.09Å; F463-L505 HydrophobicContact CB-CG 4.49Å; I464-L505 HydrophobicContact CD1-CD2 3.78Å; I464-L505 HydrophobicContact CG1-CD2 4.41Å; W474-L505 HydrophobicContact CH2-CD1 3.68Å; W474-L505 HydrophobicContact CZ2-CD1 3.82Å; A501-L505 WeakPolarHBondContact O-CB 3.32Å; A501-L505 WeakPolarHBondContact O-CG 3.49Å; A501-L505 PolarHBondContact O-N 2.77Å; I502-L505 PolarHBondContact O-N 2.95Å; L505-R507 VanDerWaalsContact C-N 3.29Å; L505-R507 PolarHBondContact O-N 2.93Å; L505-A508 PolarHBondContact O-N 2.92Å; L505-Y509 WeakPolarHBondContact O-CB 3.45Å; L505-Y509 PolarHBondContact O-N 2.77Å; L505-Y517 HydrophobicContact CD2-CD1 3.7Å; L505-A520 HydrophobicContact CD1-CB 3.82Å; L505-A520 HydrophobicContact CD2-CB 4.41Å; L505-C521 WeakPolarHBondContact CB-SG 3.47Å
506	V	98.7	Very high	98.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-56.1	-45	170.9	162.5	0	0	0	0	111.1	I502 N510 D574 Y575 L578	I502-V506 HydrophobicContact CG2-CG2 4.3Å; I502-V506 WeakPolarHBondContact O-CB 3.47Å; I502-V506 WeakPolarHBondContact O-CG2 3.49Å; I502-V506 PolarHBondContact O-N 3.48Å; V506-N510 WeakPolarHBondContact O-CB 3.33Å; V506-N510 PolarHBondContact O-N 3.34Å; V506-D574 HydrophobicContact CG1-CB 4.44Å; V506-Y575 HydrophobicContact CG2-CD2 4.2Å; V506-L578 HydrophobicContact CB-CD2 4.4Å; V506-L578 HydrophobicContact CG1-CB 4.07Å; V506-L578 HydrophobicContact CG1-CD1 4.44Å; V506-L578 HydrophobicContact CG1-CD2 4.04Å; V506-L578 HydrophobicContact CG1-CG 4.4Å; V506-L578 HydrophobicContact CG2-CD2 4.11Å
507	R	98.3	Very high	98.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.5	-40.3	177.2	-73.6	165.2	172.2	79.3	7.4	111.7	N149 P150 G152 F202 F456 S503 L504 L505 N510 Y511 D574	N149-R507 PolarHBondContact O-NH2 3.25Å; N149-R507 VanDerWaalsContact O-NH2 3.07Å; P150-R507 WeakPolarHBondContact O-CG 3.49Å; P150-R507 PolarHBondContact O-NH1 3.48Å; P150-R507 PolarHBondContact O-NH2 2.79Å; G152-R507 PolarHBondContact O-NE 3.03Å; G152-R507 PolarHBondContact O-NH2 2.87Å; G152-R507 VanDerWaalsContact O-NH2 3.17Å; F202-R507 HydrophobicContact CD1-CB 4.35Å; F202-R507 VanDerWaalsContact CD1-CD 3.44Å; F202-R507 HydrophobicContact CD1-CG 4.11Å; F202-R507 HydrophobicContact CD2-CB 4.2Å; F202-R507 HydrophobicContact CE1-CB 4.13Å; F202-R507 VanDerWaalsContact CE1-CD 3.48Å; F202-R507 HydrophobicContact CE1-CG 3.72Å; F202-R507 HydrophobicContact CE2-CB 3.98Å; F202-R507 HydrophobicContact CE2-CG 4.44Å; F202-R507 HydrophobicContact CG-CB 4.36Å; F202-R507 HydrophobicContact CZ-CB 3.93Å; F202-R507 HydrophobicContact CZ-CG 3.9Å; F456-R507 HydrophobicContact CE2-CB 4.28Å; F456-R507 HydrophobicContact CZ-CB 4.18Å; S503-R507 WeakPolarHBondContact O-CD 3.5Å; S503-R507 WeakPolarHBondContact O-CG 3.31Å; S503-R507 PolarHBondContact O-N 3.27Å; S503-R507 PolarHBondContact O-NH1 2.61Å; L504-R507 WeakPolarHBondContact O-CB 3.22Å; L504-R507 PolarHBondContact O-N 2.7Å; L505-R507 VanDerWaalsContact C-N 3.29Å; L505-R507 PolarHBondContact O-N 2.93Å; R507-N510 PolarHBondContact O-N 2.89Å; R507-Y511 WeakPolarHBondContact O-CB 3.29Å; R507-Y511 PolarHBondContact O-N 3.35Å; R507-D574 IonicContact CZ-OD2 3.76Å; R507-D574 IonicContact NH1-OD2 2.92Å; R507-D574 PolarHBondContact NH1-OD2 3.24Å; R507-D574 IonicContact NH2-OD2 3.32Å
508	A	98.6	Very high	98.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65	-42.1	176.9	0	0	0	0	0	112.1	F456 A460 L504 L505 Y511 T512 Y517	F456-A508 HydrophobicContact CE2-CB 4.39Å; F456-A508 HydrophobicContact CZ-CB 3.96Å; A460-A508 HydrophobicContact CB-CB 3.66Å; L504-A508 PolarHBondContact O-N 3.08Å; L505-A508 PolarHBondContact O-N 2.92Å; A508-Y511 PolarHBondContact O-N 3.32Å; A508-T512 WeakPolarHBondContact O-CB 3.37Å; A508-T512 PolarHBondContact O-N 3Å; A508-T512 PolarHBondContact O-OG1 3.28Å; A508-Y517 HydrophobicContact CB-CD1 3.74Å; A508-Y517 HydrophobicContact CB-CD2 4Å; A508-Y517 HydrophobicContact CB-CE1 3.93Å; A508-Y517 HydrophobicContact CB-CE2 4.18Å; A508-Y517 HydrophobicContact CB-CG 3.79Å
509	Y	98.4	Very high	98.2	Very high	48 Å²	48	33.4 Å²	33.4	19%	0.188	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-50.6	172.4	173.4	-108.7	0	0	0	111.3	L505 Y511 T512 R513 N514 L518 L578	L505-Y509 WeakPolarHBondContact O-CB 3.45Å; L505-Y509 PolarHBondContact O-N 2.77Å; Y509-Y511 VanDerWaalsContact C-N 3.26Å; Y509-Y511 PolarHBondContact O-N 3.47Å; Y509-T512 PolarHBondContact O-N 2.98Å; Y509-R513 WeakPolarHBondContact O-CA 3.2Å; Y509-R513 PolarHBondContact O-N 3.19Å; Y509-N514 WeakPolarHBondContact CD2-O 3.22Å; Y509-L518 HydrophobicContact CD2-CB 3.8Å; Y509-L518 HydrophobicContact CE1-CD2 4.18Å; Y509-L518 HydrophobicContact CE2-CB 4.05Å; Y509-L518 HydrophobicContact CE2-CD2 4.19Å; Y509-L518 HydrophobicContact CG-CB 4.06Å; Y509-L578 HydrophobicContact CD1-CD1 4.11Å; Y509-L578 HydrophobicContact CD1-CD2 3.6Å; Y509-L578 HydrophobicContact CD1-CG 4.36Å; Y509-L578 HydrophobicContact CE1-CD1 4.33Å; Y509-L578 HydrophobicContact CE1-CD2 4.08Å
510	N	96.6	Very high	98.2	Very high	45 Å²	45	33.4 Å²	33.4	24%	0.241	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-34.4	179.7	-177	73.1	0	0	0	112.5	V151 V506 R507 R513	V151-N510 HydrophobicContact CB-CB 4.31Å; V151-N510 HydrophobicContact CG1-CB 3.75Å; V506-N510 WeakPolarHBondContact O-CB 3.33Å; V506-N510 PolarHBondContact O-N 3.34Å; R507-N510 PolarHBondContact O-N 2.89Å; N510-R513 PolarHBondContact O-NE 3.17Å; N510-R513 PolarHBondContact OD1-NH1 3.49Å; N510-R513 PolarHBondContact OD1-NH2 2.89Å
511	Y	96.1	Very high	98.1	Very high	91 Å²	91	33.4 Å²	33.4	36%	0.357	16%	0.161	S	C	.	.	H	α-helix	trans	-72.4	-42.1	179.6	-174.9	-104.2	0	0	0	113.1	L205 E453 F456 M457 R507 A508 Y509	L205-Y511 HydrophobicContact CD2-CE2 4.16Å; E453-Y511 HydrophobicContact CG-CE1 4.13Å; E453-Y511 WeakPolarHBondContact CG-OH 3.36Å; E453-Y511 PolarHBondContact OE1-OH 3.34Å; E453-Y511 PolarHBondContact OE2-OH 3.45Å; F456-Y511 AromaticContact CE1-CD1 3.93Å; F456-Y511 HydrophobicContact CE1-CD1 3.93Å; F456-Y511 HydrophobicContact CE1-CG 4.01Å; M457-Y511 HydrophobicContact SD-CD1 3.98Å; M457-Y511 HydrophobicContact SD-CE1 4.35Å; R507-Y511 WeakPolarHBondContact O-CB 3.29Å; R507-Y511 PolarHBondContact O-N 3.35Å; A508-Y511 PolarHBondContact O-N 3.32Å; Y509-Y511 VanDerWaalsContact C-N 3.26Å; Y509-Y511 PolarHBondContact O-N 3.47Å
512	T	97.2	Very high	98.1	Very high	54 Å²	54	34.4 Å²	34.4	33%	0.331	17%	0.166	S	C	.	.	H	α-helix	trans	-104.8	-20.1	-172.2	61.4	0	0	0	0	115	M457 A508 Y509 N514 Y517	M457-T512 HydrophobicContact CE-CG2 3.48Å; M457-T512 VanDerWaalsContact CE-CG2 3.48Å; M457-T512 HydrophobicContact SD-CG2 3.93Å; A508-T512 WeakPolarHBondContact O-CB 3.37Å; A508-T512 PolarHBondContact O-N 3Å; A508-T512 PolarHBondContact O-OG1 3.28Å; Y509-T512 PolarHBondContact O-N 2.98Å; T512-N514 PolarHBondContact O-N 3.46Å; T512-N514 WeakPolarHBondContact OG1-CB 3.37Å; T512-N514 PolarHBondContact OG1-N 3.05Å; T512-N514 VanDerWaalsContact OG1-N 3.15Å; T512-Y517 HydrophobicContact CG2-CE2 4.18Å; T512-Y517 WeakPolarHBondContact OG1-CD2 3.46Å; T512-Y517 VanDerWaalsContact OG1-CE2 3.27Å; T512-Y517 WeakPolarHBondContact OG1-CE2 3.43Å
513	R	97	Very high	98.1	Very high	140 Å²	140	37.1 Å²	37.1	53%	0.528	18%	0.176	S	C	.	.			trans	57.7	16.3	-166.4	-53.7	-62.2	176.1	-171.1	-8.7	114.6	Y509 N510 P515	Y509-R513 WeakPolarHBondContact O-CA 3.2Å; Y509-R513 PolarHBondContact O-N 3.19Å; N510-R513 PolarHBondContact O-NE 3.17Å; N510-R513 PolarHBondContact OD1-NH1 3.49Å; N510-R513 PolarHBondContact OD1-NH2 2.89Å; R513-P515 WeakPolarHBondContact O-CD 3.34Å
514	N	98	Very high	98.1	Very high	60 Å²	60	37.1 Å²	37.1	32%	0.321	18%	0.176	S	C	.	.			trans	-77.2	117.6	175.7	-179.1	-16.5	0	0	0	110.4	Y509 T512 L516 Y517	Y509-N514 WeakPolarHBondContact CD2-O 3.22Å; T512-N514 PolarHBondContact O-N 3.46Å; T512-N514 WeakPolarHBondContact OG1-CB 3.37Å; T512-N514 PolarHBondContact OG1-N 3.05Å; T512-N514 VanDerWaalsContact OG1-N 3.15Å; N514-L516 PolarHBondContact O-N 3.32Å; N514-L516 VanDerWaalsContact O-N 3.16Å; N514-L516 WeakPolarHBondContact OD1-CB 3.25Å; N514-L516 WeakPolarHBondContact OD1-CG 3.44Å; N514-L516 PolarHBondContact OD1-N 3.3Å; N514-Y517 HydrophobicContact CB-CD2 3.83Å; N514-Y517 HydrophobicContact CB-CE2 3.81Å; N514-Y517 WeakPolarHBondContact O-CD2 3.5Å; N514-Y517 PolarHBondContact O-N 2.95Å
515	P	97.6	Very high	98	Very high	74 Å²	74	37.1 Å²	37.1	48%	0.481	18%	0.176	S	C	.	.	H	α-helix	trans	-62.9	-23	-174.3	25.8	-35.5	0	0	0	114	R513 Y517 L518 E519	R513-P515 WeakPolarHBondContact O-CD 3.34Å; P515-Y517 PolarHBondContact O-N 3.33Å; P515-Y517 VanDerWaalsContact O-N 3.11Å; P515-L518 PolarHBondContact O-N 3.37Å; P515-E519 WeakPolarHBondContact O-CG 3.12Å; P515-E519 PolarHBondContact O-N 3.33Å
516	L	98.3	Very high	98	Very high	82 Å²	82	40 Å²	40	43%	0.429	19%	0.191	S	C	.	.	H	α-helix	trans	-56.3	-32.7	179.5	-64.5	178.3	0	0	0	112.8	I464 N514 A520	I464-L516 WeakPolarHBondContact CD1-O 3.44Å; N514-L516 PolarHBondContact O-N 3.32Å; N514-L516 VanDerWaalsContact O-N 3.16Å; N514-L516 WeakPolarHBondContact OD1-CB 3.25Å; N514-L516 WeakPolarHBondContact OD1-CG 3.44Å; N514-L516 PolarHBondContact OD1-N 3.3Å; L516-A520 WeakPolarHBondContact O-CB 3.46Å; L516-A520 PolarHBondContact O-N 3.31Å
517	Y	98.7	Very high	98	Very high	8 Å²	8	40.2 Å²	40.2	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-67.6	-42	175.5	-63.2	-60.8	0	0	0	112.6	M457 A460 D461 I464 L505 A508 T512 N514 P515 A520 C521	M457-Y517 HydrophobicContact CE-CE2 4.08Å; M457-Y517 WeakPolarHBondContact CE-OH 3.5Å; A460-Y517 HydrophobicContact CB-CD1 4.29Å; A460-Y517 HydrophobicContact CB-CE1 3.69Å; D461-Y517 PolarHBondContact OD1-OH 3.31Å; I464-Y517 HydrophobicContact CD1-CD1 3.79Å; I464-Y517 HydrophobicContact CD1-CE1 4.29Å; I464-Y517 HydrophobicContact CG1-CD1 3.78Å; I464-Y517 HydrophobicContact CG1-CE1 3.75Å; L505-Y517 HydrophobicContact CD2-CD1 3.7Å; A508-Y517 HydrophobicContact CB-CD1 3.74Å; A508-Y517 HydrophobicContact CB-CD2 4Å; A508-Y517 HydrophobicContact CB-CE1 3.93Å; A508-Y517 HydrophobicContact CB-CE2 4.18Å; A508-Y517 HydrophobicContact CB-CG 3.79Å; T512-Y517 HydrophobicContact CG2-CE2 4.18Å; T512-Y517 WeakPolarHBondContact OG1-CD2 3.46Å; T512-Y517 VanDerWaalsContact OG1-CE2 3.27Å; T512-Y517 WeakPolarHBondContact OG1-CE2 3.43Å; N514-Y517 HydrophobicContact CB-CD2 3.83Å; N514-Y517 HydrophobicContact CB-CE2 3.81Å; N514-Y517 WeakPolarHBondContact O-CD2 3.5Å; N514-Y517 PolarHBondContact O-N 2.95Å; P515-Y517 PolarHBondContact O-N 3.33Å; P515-Y517 VanDerWaalsContact O-N 3.11Å; Y517-A520 PolarHBondContact O-N 3.08Å; Y517-C521 PolarHBondContact O-N 2.89Å; Y517-C521 PolarHBondContact O-SG 3.49Å; Y517-C521 VanDerWaalsContact O-SG 3.42Å
518	L	98.1	Very high	98	Very high	19 Å²	19	40.2 Å²	40.2	10%	0.099	19%	0.192	C	C	.	.	H	α-helix	trans	-70	-40.1	177.8	-174.5	61.1	0	0	0	111.3	Y509 P515 A520 C521 H522 Y575 L578 L579	Y509-L518 HydrophobicContact CD2-CB 3.8Å; Y509-L518 HydrophobicContact CE1-CD2 4.18Å; Y509-L518 HydrophobicContact CE2-CB 4.05Å; Y509-L518 HydrophobicContact CE2-CD2 4.19Å; Y509-L518 HydrophobicContact CG-CB 4.06Å; P515-L518 PolarHBondContact O-N 3.37Å; L518-A520 VanDerWaalsContact C-N 3.3Å; L518-A520 PolarHBondContact O-N 2.96Å; L518-C521 WeakPolarHBondContact O-CA 3.33Å; L518-C521 VanDerWaalsContact O-CB 3.28Å; L518-C521 WeakPolarHBondContact O-CB 3.49Å; L518-C521 PolarHBondContact O-N 3.18Å; L518-H522 PolarHBondContact O-CD2 3.27Å; L518-H522 PolarHBondContact O-N 3.02Å; L518-Y575 HydrophobicContact CD1-CD2 4.49Å; L518-Y575 HydrophobicContact CD1-CE2 3.83Å; L518-L578 HydrophobicContact CD1-CD2 3.9Å; L518-L579 HydrophobicContact CD1-CD2 4.12Å; L518-L579 HydrophobicContact CD2-CD2 4.47Å
519	E	98	Very high	97.9	Very high	80 Å²	80	42.4 Å²	42.4	37%	0.374	21%	0.208	S	C	.	.	H	α-helix	trans	-60.6	-37.5	173.7	-68.7	175.3	-164.4	0	0	113.2	P515 C521 H522 R523	P515-E519 WeakPolarHBondContact O-CG 3.12Å; P515-E519 PolarHBondContact O-N 3.33Å; E519-C521 VanDerWaalsContact C-N 3.32Å; E519-H522 WeakPolarHBondContact O-CB 3.44Å; E519-H522 PolarHBondContact O-N 3.43Å; E519-R523 PolarHBondContact O-N 3.36Å; E519-R523 PolarHBondContact O-NH1 3.18Å; E519-R523 IonicContact OE2-NH1 3.19Å
520	A	98.5	Very high	97.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.2	-37.3	173.2	0	0	0	0	0	111.9	I464 Q467 L505 L516 Y517 L518 R523 A524	I464-A520 HydrophobicContact CD1-CB 3.37Å; Q467-A520 PolarHBondContact NE2-O 2.68Å; L505-A520 HydrophobicContact CD1-CB 3.82Å; L505-A520 HydrophobicContact CD2-CB 4.41Å; L516-A520 WeakPolarHBondContact O-CB 3.46Å; L516-A520 PolarHBondContact O-N 3.31Å; Y517-A520 PolarHBondContact O-N 3.08Å; L518-A520 VanDerWaalsContact C-N 3.3Å; L518-A520 PolarHBondContact O-N 2.96Å; A520-R523 VanDerWaalsContact CA-NH2 3.33Å; A520-A524 WeakPolarHBondContact O-CB 3.25Å; A520-A524 PolarHBondContact O-N 3.45Å
521	C	98.6	Very high	97.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-43.9	171.4	-64.9	0	0	0	0	112	L505 Y517 L518 E519 R523 A524 L525 Y575	L505-C521 WeakPolarHBondContact CB-SG 3.47Å; Y517-C521 PolarHBondContact O-N 2.89Å; Y517-C521 PolarHBondContact O-SG 3.49Å; Y517-C521 VanDerWaalsContact O-SG 3.42Å; L518-C521 WeakPolarHBondContact O-CA 3.33Å; L518-C521 VanDerWaalsContact O-CB 3.28Å; L518-C521 WeakPolarHBondContact O-CB 3.49Å; L518-C521 PolarHBondContact O-N 3.18Å; E519-C521 VanDerWaalsContact C-N 3.32Å; C521-R523 PolarHBondContact O-N 3.21Å; C521-A524 PolarHBondContact O-N 3.08Å; C521-A524 VanDerWaalsContact O-N 3.13Å; C521-L525 PolarHBondContact O-N 3.11Å; C521-Y575 HydrophobicContact CB-CD2 3.55Å; C521-Y575 HydrophobicContact CB-CE2 3.42Å; C521-Y575 VanDerWaalsContact CB-CE2 3.42Å
522	H	98.2	Very high	97.9	Very high	21 Å²	21	39.5 Å²	39.5	10%	0.097	20%	0.203	C	C	.	.	H	α-helix	trans	-52.8	-52.7	177.1	-67.2	-45.5	0	0	0	111.5	L518 E519 A524 L525 Y575 Y590	L518-H522 PolarHBondContact O-CD2 3.27Å; L518-H522 PolarHBondContact O-N 3.02Å; E519-H522 WeakPolarHBondContact O-CB 3.44Å; E519-H522 PolarHBondContact O-N 3.43Å; H522-A524 VanDerWaalsContact C-N 3.33Å; H522-A524 PolarHBondContact O-N 3.4Å; H522-L525 WeakPolarHBondContact O-CB 3.36Å; H522-L525 PolarHBondContact O-N 2.83Å; H522-Y575 PolarHBondContact CE1-OH 2.88Å; H522-Y575 AromaticContact ND1-CZ 3.84Å; H522-Y575 PolarHBondContact ND1-OH 3.11Å; H522-Y590 HydrophobicContact CB-CD1 3.89Å; H522-Y590 HydrophobicContact CB-CE1 3.69Å; H522-Y590 HydrophobicContact CB-CE2 4.37Å; H522-Y590 HydrophobicContact CB-CG 4.31Å; H522-Y590 AromaticContact CE1-CD2 3.57Å; H522-Y590 AromaticContact CE1-CG 3.87Å; H522-Y590 AromaticContact CG-CD2 3.91Å; H522-Y590 AromaticContact CG-CE2 3.95Å; H522-Y590 AromaticContact CG-CG 3.96Å; H522-Y590 AromaticContact ND1-CD1 3.68Å; H522-Y590 AromaticContact ND1-CD2 3.3Å; H522-Y590 VanDerWaalsContact ND1-CD2 3.3Å; H522-Y590 WeakPolarHBondContact ND1-CD2 3.44Å; H522-Y590 AromaticContact ND1-CE2 3.81Å; H522-Y590 AromaticContact ND1-CG 3.21Å
523	R	98.3	Very high	97.7	Very high	57 Å²	57	42 Å²	42	22%	0.215	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-37.8	178.5	-66.1	-175.9	-64	-90.9	-1.5	112.2	Q467 G472 E519 A520 C521 L525 D526	Q467-R523 VanDerWaalsContact OE1-CZ 3.26Å; G472-R523 WeakPolarHBondContact CA-O 3.42Å; E519-R523 PolarHBondContact O-N 3.36Å; E519-R523 PolarHBondContact O-NH1 3.18Å; E519-R523 IonicContact OE2-NH1 3.19Å; A520-R523 VanDerWaalsContact CA-NH2 3.33Å; C521-R523 PolarHBondContact O-N 3.21Å; R523-L525 PolarHBondContact O-N 3.45Å; R523-L525 VanDerWaalsContact O-N 3.1Å; R523-D526 PolarHBondContact O-N 3.4Å; R523-D526 VanDerWaalsContact O-N 3.11Å
524	A	98.5	Very high	97.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-19.1	-177.1	0	0	0	0	0	114.6	G472 W474 Q498 I502 A520 C521 H522 D526	G472-A524 VanDerWaalsContact O-CA 3.3Å; G472-A524 WeakPolarHBondContact O-CA 3.45Å; W474-A524 HydrophobicContact CH2-CB 3.7Å; W474-A524 HydrophobicContact CZ3-CB 3.88Å; Q498-A524 PolarHBondContact NE2-O 3Å; Q498-A524 VanDerWaalsContact NE2-O 3.17Å; I502-A524 HydrophobicContact CD1-CB 3.94Å; I502-A524 HydrophobicContact CG1-CB 3.78Å; A520-A524 WeakPolarHBondContact O-CB 3.25Å; A520-A524 PolarHBondContact O-N 3.45Å; C521-A524 PolarHBondContact O-N 3.08Å; C521-A524 VanDerWaalsContact O-N 3.13Å; H522-A524 VanDerWaalsContact C-N 3.33Å; H522-A524 PolarHBondContact O-N 3.4Å; A524-D526 VanDerWaalsContact C-N 3.29Å; A524-D526 PolarHBondContact O-N 2.82Å
525	L	98.5	Very high	97.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.3	176	-61.6	178.9	0	0	0	113.1	I502 C521 H522 R523 L527 F528 L572 Y575 Y590 K593 A594 Y597	I502-L525 HydrophobicContact CD1-CD2 4.39Å; C521-L525 PolarHBondContact O-N 3.11Å; H522-L525 WeakPolarHBondContact O-CB 3.36Å; H522-L525 PolarHBondContact O-N 2.83Å; R523-L525 PolarHBondContact O-N 3.45Å; R523-L525 VanDerWaalsContact O-N 3.1Å; L525-L527 VanDerWaalsContact C-N 3.33Å; L525-L527 PolarHBondContact O-N 2.94Å; L525-F528 WeakPolarHBondContact O-CB 3.37Å; L525-F528 PolarHBondContact O-N 2.95Å; L525-L572 HydrophobicContact CD2-CD2 3.75Å; L525-Y575 HydrophobicContact CD1-CD1 4.45Å; L525-Y575 HydrophobicContact CD1-CE1 3.76Å; L525-Y575 HydrophobicContact CD2-CD1 4.35Å; L525-Y575 HydrophobicContact CD2-CE1 4.43Å; L525-Y590 HydrophobicContact CD1-CD1 4.32Å; L525-K593 HydrophobicContact CB-CD 4.4Å; L525-A594 HydrophobicContact CD1-CB 4.07Å; L525-A594 HydrophobicContact CD2-CB 3.97Å; L525-Y597 HydrophobicContact CB-CE2 4.48Å; L525-Y597 WeakPolarHBondContact O-CE2 3.39Å
526	D	97.5	Very high	97.5	Very high	60 Å²	60	38.1 Å²	38.1	32%	0.321	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-63.3	-38.4	-170	-70.9	-18.9	0	0	0	112.7	R523 A524 F528 S529 K593	R523-D526 PolarHBondContact O-N 3.4Å; R523-D526 VanDerWaalsContact O-N 3.11Å; A524-D526 VanDerWaalsContact C-N 3.29Å; A524-D526 PolarHBondContact O-N 2.82Å; D526-F528 VanDerWaalsContact C-N 3.28Å; D526-F528 PolarHBondContact O-N 3.42Å; D526-S529 WeakPolarHBondContact O-CA 3.08Å; D526-S529 PolarHBondContact O-N 3.12Å; D526-S529 PolarHBondContact O-OG 2.88Å; D526-K593 IonicContact OD1-NZ 3.95Å; D526-K593 PolarHBondContact OD1-NZ 2.84Å
527	L	97.9	Very high	97.5	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.026	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-62.5	-30.3	178.6	-85.8	175.8	0	0	0	114.3	S471 G473 Y493 Q498 L525 S529 V530 I537	S471-L527 WeakPolarHBondContact O-CG 3.3Å; G473-L527 VanDerWaalsContact CA-CD1 3.44Å; Y493-L527 HydrophobicContact CD1-CD1 3.55Å; Y493-L527 HydrophobicContact CD2-CD1 4.14Å; Y493-L527 HydrophobicContact CD2-CD2 3.99Å; Y493-L527 HydrophobicContact CE1-CD1 4.18Å; Y493-L527 HydrophobicContact CE2-CD2 4.47Å; Y493-L527 HydrophobicContact CG-CD1 3.52Å; Y493-L527 HydrophobicContact CG-CD2 4.18Å; Q498-L527 HydrophobicContact CG-CD1 4.08Å; L525-L527 VanDerWaalsContact C-N 3.33Å; L525-L527 PolarHBondContact O-N 2.94Å; L527-S529 PolarHBondContact O-N 2.8Å; L527-S529 VanDerWaalsContact O-N 3.16Å; L527-V530 PolarHBondContact O-N 3.21Å; L527-I537 HydrophobicContact CB-CD1 4.23Å; L527-I537 HydrophobicContact CB-CG1 4.22Å; L527-I537 VanDerWaalsContact O-CG1 3.31Å; L527-I537 WeakPolarHBondContact O-CG1 3.05Å
528	F	98.5	Very high	97.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-60.4	-25.8	174.3	-69.3	-91.9	0	0	0	110.7	Q498 I502 L525 D526 I537 R538 F550 L572 Y597	Q498-F528 HydrophobicContact CB-CE2 3.86Å; Q498-F528 HydrophobicContact CB-CZ 3.94Å; I502-F528 HydrophobicContact CD1-CE2 3.9Å; I502-F528 HydrophobicContact CD1-CZ 4.43Å; L525-F528 WeakPolarHBondContact O-CB 3.37Å; L525-F528 PolarHBondContact O-N 2.95Å; D526-F528 VanDerWaalsContact C-N 3.28Å; D526-F528 PolarHBondContact O-N 3.42Å; F528-I537 HydrophobicContact CD1-CD1 4.07Å; F528-I537 HydrophobicContact CD2-CD1 4.43Å; F528-I537 HydrophobicContact CE1-CD1 4.2Å; F528-I537 HydrophobicContact CG-CD1 4.2Å; F528-I537 HydrophobicContact CZ-CD1 4.45Å; F528-R538 VanDerWaalsContact C-NH2 3.27Å; F528-R538 PolarHBondContact O-NE 3.33Å; F528-R538 PolarHBondContact O-NH2 3.48Å; F528-F550 HydrophobicContact CB-CE1 4.11Å; F528-F550 HydrophobicContact CB-CZ 4.46Å; F528-F550 AromaticContact CD1-CD1 3.74Å; F528-F550 HydrophobicContact CD1-CD1 3.74Å; F528-F550 AromaticContact CD1-CD2 3.8Å; F528-F550 HydrophobicContact CD1-CD2 3.8Å; F528-F550 AromaticContact CD1-CE1 3.74Å; F528-F550 HydrophobicContact CD1-CE1 3.74Å; F528-F550 AromaticContact CD1-CE2 3.81Å; F528-F550 HydrophobicContact CD1-CE2 3.81Å; F528-F550 AromaticContact CD1-CG 3.78Å; F528-F550 HydrophobicContact CD1-CG 3.78Å; F528-F550 AromaticContact CD1-CZ 3.78Å; F528-F550 HydrophobicContact CD1-CZ 3.78Å; F528-F550 AromaticContact CE1-CD2 3.95Å; F528-F550 HydrophobicContact CE1-CD2 3.95Å; F528-F550 HydrophobicContact CE1-CE2 4.24Å; F528-F550 HydrophobicContact CE1-CG 4.11Å; F528-F550 HydrophobicContact CG-CE1 4.43Å; F528-L572 HydrophobicContact CD1-CD1 4.07Å; F528-L572 HydrophobicContact CD1-CD2 4.49Å; F528-L572 HydrophobicContact CD2-CD2 4.3Å; F528-L572 HydrophobicContact CE1-CD1 3.82Å; F528-L572 HydrophobicContact CE1-CD2 4.27Å; F528-L572 HydrophobicContact CE1-CG 4.1Å; F528-L572 HydrophobicContact CE2-CD2 4.06Å; F528-L572 HydrophobicContact CZ-CD1 4.33Å; F528-L572 HydrophobicContact CZ-CD2 4.04Å; F528-L572 HydrophobicContact CZ-CG 4.09Å; F528-Y597 HydrophobicContact CB-CD2 3.55Å; F528-Y597 HydrophobicContact CB-CE2 3.63Å; F528-Y597 HydrophobicContact CB-CG 4.03Å; F528-Y597 HydrophobicContact CG-CD2 4.17Å
529	S	97.4	Very high	97.4	Very high	47 Å²	47	35 Å²	35	33%	0.329	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-38.1	-49.9	158.4	82	0	0	0	0	120	D526 L527 R538 Y597	D526-S529 WeakPolarHBondContact O-CA 3.08Å; D526-S529 PolarHBondContact O-N 3.12Å; D526-S529 PolarHBondContact O-OG 2.88Å; L527-S529 PolarHBondContact O-N 2.8Å; L527-S529 VanDerWaalsContact O-N 3.16Å; S529-R538 VanDerWaalsContact C-NE 3.28Å; S529-R538 PolarHBondContact O-NE 2.99Å; S529-R538 PolarHBondContact O-NH1 3.45Å; S529-R538 PolarHBondContact O-NH2 2.82Å; S529-Y597 WeakPolarHBondContact CB-OH 3.29Å; S529-Y597 PolarHBondContact OG-OH 3.33Å
530	V	98	Very high	97.3	Very high	49 Å²	49	34.4 Å²	34.4	30%	0.297	18%	0.183	S	C	.	.	S	Bend	trans	-108.9	129.2	-144	-176.9	0	0	0	0	107.9	L527 H534 G536 I537 R538	L527-V530 PolarHBondContact O-N 3.21Å; V530-H534 HydrophobicContact CG1-CB 3.92Å; V530-G536 CarbonylContact O-C 3.52Å; V530-G536 VanDerWaalsContact O-CA 3.26Å; V530-G536 WeakPolarHBondContact O-CA 3.48Å; V530-I537 PolarHBondContact O-N 2.88Å; V530-R538 VanDerWaalsContact O-CB 3.27Å; V530-R538 WeakPolarHBondContact O-CB 3.46Å; V530-R538 PolarHBondContact O-N 3.49Å
531	N	97.7	Very high	97.2	Very high	51 Å²	51	34.8 Å²	34.8	27%	0.273	19%	0.185	S	C	.	.	B	Isolated β-bridge	trans	-68	149.7	179.5	-66.7	-13.4	0	0	0	110.9	N533 H534 G535 G536 R538	N531-N533 PolarHBondContact O-N 3.06Å; N531-N533 VanDerWaalsContact O-N 3.1Å; N531-H534 CarbonylContact O-C 3.52Å; N531-H534 WeakPolarHBondContact O-CA 3.43Å; N531-H534 PolarHBondContact O-N 3.25Å; N531-G535 PolarHBondContact O-N 3.38Å; N531-G536 PolarHBondContact O-N 3.09Å; N531-R538 CarbonylContact C-O 3.51Å; N531-R538 WeakPolarHBondContact CA-O 3.28Å
532	I	96	Very high	96.8	Very high	22 Å²	22	41 Å²	41	11%	0.113	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-53.6	-32	177	55.4	167.1	0	0	0	113.1	H534 G535 R538 E551 P554 F555 N556 P558	I532-H534 PolarHBondContact O-N 2.99Å; I532-G535 PolarHBondContact O-N 2.83Å; I532-R538 WeakPolarHBondContact CG2-O 3.28Å; I532-R538 PolarHBondContact N-O 3.47Å; I532-E551 HydrophobicContact CG2-CB 4.27Å; I532-E551 HydrophobicContact CG2-CG 3.96Å; I532-P554 HydrophobicContact CB-CB 4.04Å; I532-P554 HydrophobicContact CG2-CB 3.5Å; I532-F555 WeakPolarHBondContact CD1-O 3.3Å; I532-N556 HydrophobicContact CD1-CB 4.29Å; I532-P558 HydrophobicContact CD1-CB 4.27Å
533	N	92.8	Very high	96.4	Very high	106 Å²	106	47.1 Å²	47.1	57%	0.567	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-71.6	-16.9	178.4	-63.5	-16.3	0	0	0	113.3	N531 N556	N531-N533 PolarHBondContact O-N 3.06Å; N531-N533 VanDerWaalsContact O-N 3.1Å; N533-N556 PolarHBondContact OD1-ND2 2Å
534	H	95.6	Very high	96.3	Very high	147 Å²	147	49.3 Å²	49.3	68%	0.681	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-108.8	20.4	176.5	-57.5	118.2	0	0	0	112.1	V530 N531 I532 G536	V530-H534 HydrophobicContact CG1-CB 3.92Å; N531-H534 CarbonylContact O-C 3.52Å; N531-H534 WeakPolarHBondContact O-CA 3.43Å; N531-H534 PolarHBondContact O-N 3.25Å; I532-H534 PolarHBondContact O-N 2.99Å; H534-G536 VanDerWaalsContact C-N 3.34Å
535	G	95	Very high	96	Very high	47 Å²	47	54 Å²	54	49%	0.485	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	8.6	179.5	0	0	0	0	0	114.8	N531 I532	N531-G535 PolarHBondContact O-N 3.38Å; I532-G535 PolarHBondContact O-N 2.83Å
536	G	97.1	Very high	95.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	-90.1	-160.3	176.8	0	0	0	0	0	114.4	V530 N531 H534 P554	V530-G536 CarbonylContact O-C 3.52Å; V530-G536 VanDerWaalsContact O-CA 3.26Å; V530-G536 WeakPolarHBondContact O-CA 3.48Å; N531-G536 PolarHBondContact O-N 3.09Å; H534-G536 VanDerWaalsContact C-N 3.34Å; G536-P554 WeakPolarHBondContact O-CB 3.48Å
537	I	98.3	Very high	95.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.299	C	S	.	.	S	Bend	trans	-120.9	-1.3	-177.1	58.1	168.6	0	0	0	113.3	A495 Q498 L527 F528 V530 F550 E551	A495-I537 HydrophobicContact CB-CB 4.26Å; A495-I537 HydrophobicContact CB-CD1 3.83Å; Q498-I537 HydrophobicContact CB-CD1 4.49Å; Q498-I537 HydrophobicContact CG-CD1 4.08Å; L527-I537 HydrophobicContact CB-CD1 4.23Å; L527-I537 HydrophobicContact CB-CG1 4.22Å; L527-I537 VanDerWaalsContact O-CG1 3.31Å; L527-I537 WeakPolarHBondContact O-CG1 3.05Å; F528-I537 HydrophobicContact CD1-CD1 4.07Å; F528-I537 HydrophobicContact CD2-CD1 4.43Å; F528-I537 HydrophobicContact CE1-CD1 4.2Å; F528-I537 HydrophobicContact CG-CD1 4.2Å; F528-I537 HydrophobicContact CZ-CD1 4.45Å; V530-I537 PolarHBondContact O-N 2.88Å; I537-F550 CarbonylContact O-C 3.59Å; I537-F550 WeakPolarHBondContact O-CA 3.47Å; I537-E551 PolarHBondContact O-N 3.4Å
538	R	98.3	Very high	95.8	Very high	38 Å²	38	55.8 Å²	55.8	14%	0.143	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.2	-177.2	-159.1	-162.6	-44.5	-143	-62.6	111.9	F528 S529 V530 N531 I532 V548 W549 F550	F528-R538 VanDerWaalsContact C-NH2 3.27Å; F528-R538 PolarHBondContact O-NE 3.33Å; F528-R538 PolarHBondContact O-NH2 3.48Å; S529-R538 VanDerWaalsContact C-NE 3.28Å; S529-R538 PolarHBondContact O-NE 2.99Å; S529-R538 PolarHBondContact O-NH1 3.45Å; S529-R538 PolarHBondContact O-NH2 2.82Å; V530-R538 VanDerWaalsContact O-CB 3.27Å; V530-R538 WeakPolarHBondContact O-CB 3.46Å; V530-R538 PolarHBondContact O-N 3.49Å; N531-R538 CarbonylContact C-O 3.51Å; N531-R538 WeakPolarHBondContact CA-O 3.28Å; I532-R538 WeakPolarHBondContact CG2-O 3.28Å; I532-R538 PolarHBondContact N-O 3.47Å; R538-V548 HydrophobicContact CG-CG1 3.71Å; R538-W549 CarbonylContact C-O 3.5Å; R538-W549 WeakPolarHBondContact CA-O 3.29Å; R538-F550 HydrophobicContact CG-CD1 4.3Å; R538-F550 HydrophobicContact CG-CE1 4.19Å
539	S	97.2	Very high	95.8	Very high	6 Å²	6	55.8 Å²	55.8	4%	0.042	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	170.4	168.4	64.4	0	0	0	0	109.6	W549 E551	S539-W549 PolarHBondContact N-O 2.82Å; S539-W549 PolarHBondContact O-N 2.77Å; S539-W549 PolarHBondContact OG-O 3.22Å; S539-E551 PolarHBondContact OG-OE1 2.93Å
540	Y	96.5	Very high	95.9	Very high	66 Å²	66	53.6 Å²	53.6	26%	0.259	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.7	176.7	-65.9	-86.3	0	0	0	108.2	F542 N543 Q544 S545 L547 V548	Y540-F542 PolarHBondContact O-N 2.88Å; Y540-N543 PolarHBondContact O-N 3.39Å; Y540-N543 VanDerWaalsContact O-N 3.07Å; Y540-Q544 WeakPolarHBondContact CD1-O 3.36Å; Y540-S545 WeakPolarHBondContact CE1-O 3.25Å; Y540-L547 WeakPolarHBondContact CA-O 3.38Å; Y540-V548 HydrophobicContact CD1-CG2 3.96Å; Y540-V548 HydrophobicContact CE1-CG2 3.57Å
541	F	95.2	Very high	95.9	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.035	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-65.5	123.7	-179.3	-172.3	-94.6	0	0	0	109.6	N543 Q544 L547 H560 L608 L611 L622 L625	F541-N543 PolarHBondContact O-N 3.34Å; F541-N543 VanDerWaalsContact O-N 3.11Å; F541-Q544 WeakPolarHBondContact O-CB 3.35Å; F541-Q544 PolarHBondContact O-N 2.76Å; F541-L547 HydrophobicContact CB-CB 3.84Å; F541-L547 HydrophobicContact CB-CD1 4.36Å; F541-L547 HydrophobicContact CD1-CD1 4.01Å; F541-L547 PolarHBondContact N-O 2.87Å; F541-H560 AromaticContact CD2-CD2 3.93Å; F541-H560 AromaticContact CD2-CE1 3.68Å; F541-H560 AromaticContact CD2-ND1 3.99Å; F541-H560 AromaticContact CD2-NE2 3.64Å; F541-L608 HydrophobicContact CB-CD1 3.87Å; F541-L608 HydrophobicContact CB-CD2 4.4Å; F541-L608 HydrophobicContact CD1-CD1 4.44Å; F541-L608 HydrophobicContact CD1-CD2 3.46Å; F541-L608 VanDerWaalsContact CD1-CD2 3.46Å; F541-L608 HydrophobicContact CD2-CD1 4.23Å; F541-L608 HydrophobicContact CD2-CD2 4.26Å; F541-L608 HydrophobicContact CE1-CD2 3.65Å; F541-L608 HydrophobicContact CE2-CD2 4.45Å; F541-L608 HydrophobicContact CG-CD1 3.93Å; F541-L608 HydrophobicContact CG-CD2 3.78Å; F541-L608 HydrophobicContact CZ-CD2 4.16Å; F541-L611 HydrophobicContact CE1-CD1 3.9Å; F541-L611 HydrophobicContact CE2-CD1 4.33Å; F541-L611 HydrophobicContact CZ-CD1 3.53Å; F541-L622 HydrophobicContact CD2-CD1 4.43Å; F541-L622 HydrophobicContact CE2-CD1 3.67Å; F541-L622 HydrophobicContact CZ-CD1 4.28Å; F541-L625 HydrophobicContact CE2-CD1 4.04Å; F541-L625 HydrophobicContact CZ-CD1 3.68Å
542	F	90.3	Very high	95.9	Very high	130 Å²	130	49.1 Å²	49.1	57%	0.57	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	47.2	34	-169.4	-64.3	-39.3	0	0	0	114.7	Y540 Q544 L625	Y540-F542 PolarHBondContact O-N 2.88Å; F542-Q544 HydrophobicContact CB-CG 4.45Å; F542-Q544 PolarHBondContact O-N 3.43Å; F542-Q544 VanDerWaalsContact O-N 3.11Å; F542-L625 HydrophobicContact CZ-CB 4.41Å
543	N	90.5	Very high	96	Very high	150 Å²	150	48.3 Å²	48.3	80%	0.802	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	58.3	18.4	-177.2	-57.1	-39.2	0	0	0	114.5	Y540 F541	Y540-N543 PolarHBondContact O-N 3.39Å; Y540-N543 VanDerWaalsContact O-N 3.07Å; F541-N543 PolarHBondContact O-N 3.34Å; F541-N543 VanDerWaalsContact O-N 3.11Å
544	Q	94.7	Very high	96.2	Very high	103 Å²	103	44 Å²	44	48%	0.481	23%	0.233	S	C	.	.			trans	-81.8	123.3	176	-60.1	-60.1	-48.8	0	0	110.1	Y540 F541 F542 D546 L547	Y540-Q544 WeakPolarHBondContact CD1-O 3.36Å; F541-Q544 WeakPolarHBondContact O-CB 3.35Å; F541-Q544 PolarHBondContact O-N 2.76Å; F542-Q544 HydrophobicContact CB-CG 4.45Å; F542-Q544 PolarHBondContact O-N 3.43Å; F542-Q544 VanDerWaalsContact O-N 3.11Å; Q544-D546 PolarHBondContact O-N 3.21Å; Q544-L547 HydrophobicContact CB-CB 4.18Å; Q544-L547 HydrophobicContact CB-CD1 3.93Å; Q544-L547 HydrophobicContact CB-CG 4.03Å; Q544-L547 HydrophobicContact CG-CD1 4.2Å; Q544-L547 PolarHBondContact O-N 3.01Å; Q544-L547 VanDerWaalsContact O-N 3.1Å
545	S	93.3	Very high	96.1	Very high	98 Å²	98	37 Å²	37	69%	0.685	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.4	-173.2	52.7	0	0	0	0	114.2	Y540	Y540-S545 WeakPolarHBondContact CE1-O 3.25Å
546	D	93.7	Very high	95.7	Very high	73 Å²	73	39 Å²	39	39%	0.39	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-2.2	178.5	72	-48.7	0	0	0	113.7	Q544 S604 K607	Q544-D546 PolarHBondContact O-N 3.21Å; D546-S604 PolarHBondContact O-OG 3.21Å; D546-K607 IonicContact OD2-NZ 3.9Å; D546-K607 PolarHBondContact OD2-NZ 3.06Å
547	L	97.2	Very high	95.3	Very high	21 Å²	21	40.1 Å²	40.1	11%	0.11	21%	0.208	C	C	.	.			trans	-113.6	62.9	178	-59.1	-180	0	0	0	110.9	Y540 F541 Q544 K607 L608	Y540-L547 WeakPolarHBondContact CA-O 3.38Å; F541-L547 HydrophobicContact CB-CB 3.84Å; F541-L547 HydrophobicContact CB-CD1 4.36Å; F541-L547 HydrophobicContact CD1-CD1 4.01Å; F541-L547 PolarHBondContact N-O 2.87Å; Q544-L547 HydrophobicContact CB-CB 4.18Å; Q544-L547 HydrophobicContact CB-CD1 3.93Å; Q544-L547 HydrophobicContact CB-CG 4.03Å; Q544-L547 HydrophobicContact CG-CD1 4.2Å; Q544-L547 PolarHBondContact O-N 3.01Å; Q544-L547 VanDerWaalsContact O-N 3.1Å; L547-K607 HydrophobicContact CD2-CB 3.95Å; L547-K607 HydrophobicContact CD2-CD 3.52Å; L547-K607 HydrophobicContact CD2-CG 4.39Å; L547-L608 HydrophobicContact CD1-CD2 4.3Å; L547-L608 HydrophobicContact CD2-CG 4.48Å
548	V	98.4	Very high	95.1	Very high	10 Å²	10	41.4 Å²	41.4	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	135.2	177.8	176.1	0	0	0	0	110.7	R538 Y540 F550 T600 S604	R538-V548 HydrophobicContact CG-CG1 3.71Å; Y540-V548 HydrophobicContact CD1-CG2 3.96Å; Y540-V548 HydrophobicContact CE1-CG2 3.57Å; V548-F550 HydrophobicContact CG1-CD1 4.24Å; V548-F550 HydrophobicContact CG1-CE1 3.7Å; V548-F550 HydrophobicContact CG1-CZ 4.02Å; V548-T600 HydrophobicContact CB-CG2 3.79Å; V548-T600 HydrophobicContact CG2-CG2 3.58Å; V548-S604 PolarHBondContact N-OG 2.91Å; V548-S604 WeakPolarHBondContact O-CB 3.07Å; V548-S604 PolarHBondContact O-OG 2.67Å; V548-S604 VanDerWaalsContact O-OG 3.11Å
549	W	98.7	Very high	94.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.5	170.6	-162.3	-85.3	0	0	0	111.4	R538 S539 H560 L562 F565 L605 L608 F612	R538-W549 CarbonylContact C-O 3.5Å; R538-W549 WeakPolarHBondContact CA-O 3.29Å; S539-W549 PolarHBondContact N-O 2.82Å; S539-W549 PolarHBondContact O-N 2.77Å; S539-W549 PolarHBondContact OG-O 3.22Å; W549-H560 AromaticContact CD1-CD2 3.87Å; W549-H560 HydrophobicContact CD2-CB 4.05Å; W549-H560 AromaticContact CD2-CD2 3.95Å; W549-H560 HydrophobicContact CG-CB 4.34Å; W549-H560 AromaticContact CG-CD2 3.57Å; W549-H560 HydrophobicContact CZ2-CB 4.07Å; W549-L562 HydrophobicContact CH2-CD1 4.22Å; W549-F565 HydrophobicContact CB-CE2 4.48Å; W549-F565 HydrophobicContact CD2-CB 4.34Å; W549-F565 HydrophobicContact CD2-CD1 4.02Å; W549-F565 AromaticContact CD2-CD2 3.9Å; W549-F565 HydrophobicContact CD2-CD2 3.9Å; W549-F565 HydrophobicContact CD2-CE1 4.2Å; W549-F565 HydrophobicContact CD2-CE2 4.14Å; W549-F565 AromaticContact CD2-CG 3.84Å; W549-F565 HydrophobicContact CD2-CG 3.84Å; W549-F565 HydrophobicContact CD2-CZ 4.27Å; W549-F565 AromaticContact CE2-CD1 3.91Å; W549-F565 AromaticContact CE2-CD2 3.88Å; W549-F565 AromaticContact CE2-CG 3.5Å; W549-F565 AromaticContact CE3-CD1 3.91Å; W549-F565 HydrophobicContact CE3-CD1 3.91Å; W549-F565 HydrophobicContact CE3-CD2 4.47Å; W549-F565 AromaticContact CE3-CE1 3.81Å; W549-F565 HydrophobicContact CE3-CE1 3.81Å; W549-F565 HydrophobicContact CE3-CE2 4.44Å; W549-F565 HydrophobicContact CE3-CG 4.21Å; W549-F565 HydrophobicContact CE3-CZ 4.1Å; W549-F565 HydrophobicContact CG-CD2 4.02Å; W549-F565 HydrophobicContact CG-CE2 4.17Å; W549-F565 HydrophobicContact CG-CG 4.41Å; W549-F565 HydrophobicContact CH2-CB 4.11Å; W549-F565 AromaticContact CH2-CD1 3.61Å; W549-F565 HydrophobicContact CH2-CD1 3.61Å; W549-F565 HydrophobicContact CH2-CE1 4.22Å; W549-F565 HydrophobicContact CH2-CG 4.01Å; W549-F565 HydrophobicContact CZ2-CB 3.38Å; W549-F565 AromaticContact CZ2-CD1 3.73Å; W549-F565 HydrophobicContact CZ2-CD1 3.73Å; W549-F565 HydrophobicContact CZ2-CD2 4.44Å; W549-F565 AromaticContact CZ2-CG 3.62Å; W549-F565 HydrophobicContact CZ2-CG 3.62Å; W549-F565 AromaticContact CZ3-CD1 3.7Å; W549-F565 HydrophobicContact CZ3-CD1 3.7Å; W549-F565 AromaticContact CZ3-CE1 3.82Å; W549-F565 HydrophobicContact CZ3-CE1 3.82Å; W549-F565 HydrophobicContact CZ3-CG 4.29Å; W549-F565 AromaticContact NE1-CD2 3.89Å; W549-F565 AromaticContact NE1-CG 3.84Å; W549-L605 HydrophobicContact CH2-CD1 4.49Å; W549-L608 HydrophobicContact CE3-CD1 3.74Å; W549-L608 HydrophobicContact CZ3-CB 4.26Å; W549-L608 HydrophobicContact CZ3-CD1 3.9Å; W549-F612 AromaticContact CH2-CE2 3.49Å; W549-F612 HydrophobicContact CH2-CE2 3.49Å; W549-F612 VanDerWaalsContact CH2-CE2 3.49Å; W549-F612 AromaticContact CH2-CZ 3.36Å; W549-F612 HydrophobicContact CH2-CZ 3.36Å; W549-F612 HydrophobicContact CZ2-CE2 4.36Å; W549-F612 AromaticContact CZ2-CZ 3.78Å; W549-F612 HydrophobicContact CZ2-CZ 3.78Å; W549-F612 HydrophobicContact CZ3-CE2 4.02Å; W549-F612 HydrophobicContact CZ3-CZ 4.21Å
550	F	98.8	Very high	94.8	Very high	1 Å²	1	40 Å²	40	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	109.8	175.2	-52	-55.1	0	0	0	108.6	A495 F528 I537 R538 V548 F565 L569 L572	A495-F550 VanDerWaalsContact CB-C 3.43Å; A495-F550 HydrophobicContact CB-CB 3.51Å; A495-F550 WeakPolarHBondContact CB-O 3.13Å; F528-F550 HydrophobicContact CB-CE1 4.11Å; F528-F550 HydrophobicContact CB-CZ 4.46Å; F528-F550 AromaticContact CD1-CD1 3.74Å; F528-F550 HydrophobicContact CD1-CD1 3.74Å; F528-F550 AromaticContact CD1-CD2 3.8Å; F528-F550 HydrophobicContact CD1-CD2 3.8Å; F528-F550 AromaticContact CD1-CE1 3.74Å; F528-F550 HydrophobicContact CD1-CE1 3.74Å; F528-F550 AromaticContact CD1-CE2 3.81Å; F528-F550 HydrophobicContact CD1-CE2 3.81Å; F528-F550 AromaticContact CD1-CG 3.78Å; F528-F550 HydrophobicContact CD1-CG 3.78Å; F528-F550 AromaticContact CD1-CZ 3.78Å; F528-F550 HydrophobicContact CD1-CZ 3.78Å; F528-F550 AromaticContact CE1-CD2 3.95Å; F528-F550 HydrophobicContact CE1-CD2 3.95Å; F528-F550 HydrophobicContact CE1-CE2 4.24Å; F528-F550 HydrophobicContact CE1-CG 4.11Å; F528-F550 HydrophobicContact CG-CE1 4.43Å; I537-F550 CarbonylContact O-C 3.59Å; I537-F550 WeakPolarHBondContact O-CA 3.47Å; R538-F550 HydrophobicContact CG-CD1 4.3Å; R538-F550 HydrophobicContact CG-CE1 4.19Å; V548-F550 HydrophobicContact CG1-CD1 4.24Å; V548-F550 HydrophobicContact CG1-CE1 3.7Å; V548-F550 HydrophobicContact CG1-CZ 4.02Å; F550-F565 HydrophobicContact CB-CD2 3.81Å; F550-F565 HydrophobicContact CB-CE2 3.93Å; F550-F565 HydrophobicContact CD2-CD2 4.06Å; F550-F565 AromaticContact CD2-CE2 3.5Å; F550-F565 HydrophobicContact CD2-CE2 3.5Å; F550-F565 VanDerWaalsContact CD2-CE2 3.5Å; F550-F565 HydrophobicContact CD2-CZ 4.46Å; F550-F565 HydrophobicContact CE2-CE2 4.27Å; F550-F565 HydrophobicContact CG-CD2 4.27Å; F550-F565 AromaticContact CG-CE2 3.89Å; F550-F565 HydrophobicContact CG-CE2 3.89Å; F550-L569 HydrophobicContact CD2-CD2 4.11Å; F550-L569 HydrophobicContact CE2-CD2 3.98Å; F550-L572 HydrophobicContact CE2-CD1 4.09Å
551	E	98.5	Very high	94.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.			trans	-77.6	126	-170.7	-65.4	-64	155.7	0	0	112.3	A495 I532 I537 S539 Y553 P558 I559 H560	A495-E551 WeakPolarHBondContact CB-O 3.13Å; A495-E551 PolarHBondContact N-O 3.39Å; I532-E551 HydrophobicContact CG2-CB 4.27Å; I532-E551 HydrophobicContact CG2-CG 3.96Å; I537-E551 PolarHBondContact O-N 3.4Å; S539-E551 PolarHBondContact OG-OE1 2.93Å; E551-Y553 VanDerWaalsContact C-N 3.29Å; E551-P558 HydrophobicContact CG-CB 4.35Å; E551-P558 WeakPolarHBondContact OE1-CB 3.33Å; E551-I559 PolarHBondContact OE2-N 3.33Å; E551-H560 IonicContact OE1-CD2 2.74Å; E551-H560 PolarHBondContact OE1-CD2 2.63Å; E551-H560 IonicContact OE1-CG 2.77Å; E551-H560 IonicContact OE1-NE2 2.89Å; E551-H560 PolarHBondContact OE2-N 2.93Å
552	E	98.5	Very high	95.1	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.028	20%	0.196	C	C	.	.	S	Bend	trans	-62.2	-40.7	169.4	-177.7	178.1	146.3	0	0	111.1	I192 S494 M496 I561 N563 G564	I192-E552 HydrophobicContact CD1-CG 4.32Å; S494-E552 WeakPolarHBondContact CA-O 3Å; S494-E552 WeakPolarHBondContact CB-O 3.38Å; S494-E552 PolarHBondContact OG-O 3.34Å; M496-E552 HydrophobicContact CB-CB 4.38Å; M496-E552 HydrophobicContact CB-CG 3.86Å; M496-E552 HydrophobicContact SD-CG 4.23Å; E552-I561 HydrophobicContact CB-CB 4.24Å; E552-I561 HydrophobicContact CB-CD1 4.18Å; E552-I561 VanDerWaalsContact OE2-CG2 3.31Å; E552-I561 WeakPolarHBondContact OE2-CG2 3.49Å; E552-N563 PolarHBondContact OE2-ND2 3.02Å; E552-G564 VanDerWaalsContact OE2-CA 3.27Å; E552-G564 WeakPolarHBondContact OE2-CA 3.46Å; E552-G564 PolarHBondContact OE2-N 3.08Å
553	Y	97.4	Very high	95.4	Very high	5 Å²	5	30.5 Å²	30.5	2%	0.02	17%	0.17	C	C	.	.	S	Bend	trans	-125.9	113.5	171.9	-53.7	-58.1	0	0	0	108	W183 Y190 W492 E551 F555 I559 I561	W183-Y553 HydrophobicContact CZ2-CE1 4.39Å; W183-Y553 AromaticContact CZ2-CZ 3.99Å; W183-Y553 WeakPolarHBondContact CZ2-OH 3.19Å; Y190-Y553 PolarHBondContact OH-OH 2.96Å; W492-Y553 HydrophobicContact CE3-CD1 4.43Å; W492-Y553 AromaticContact CH2-CD1 3.67Å; W492-Y553 HydrophobicContact CH2-CD1 3.67Å; W492-Y553 AromaticContact CH2-CE1 3.71Å; W492-Y553 HydrophobicContact CH2-CE1 3.71Å; W492-Y553 AromaticContact CZ3-CD1 3.61Å; W492-Y553 HydrophobicContact CZ3-CD1 3.61Å; W492-Y553 AromaticContact CZ3-CE1 3.96Å; W492-Y553 HydrophobicContact CZ3-CE1 3.96Å; E551-Y553 VanDerWaalsContact C-N 3.29Å; Y553-F555 HydrophobicContact CG-CE2 4.35Å; Y553-F555 PolarHBondContact O-N 3.48Å; Y553-I559 HydrophobicContact CD2-CD1 4.34Å; Y553-I561 HydrophobicContact CD2-CD1 3.28Å; Y553-I561 HydrophobicContact CE2-CD1 3.45Å; Y553-I561 VanDerWaalsContact CE2-CD1 3.45Å; Y553-I561 HydrophobicContact CG-CD1 4.45Å
554	P	96.5	Very high	95.8	Very high	15 Å²	15	23.3 Å²	23.3	10%	0.097	13%	0.132	C	C	.	.			trans	-77.3	56.4	-171.3	32.6	-38.7	0	0	0	112.2	L488 W492 Y493 I532 G536	L488-P554 HydrophobicContact CD1-CG 4.25Å; L488-P554 HydrophobicContact CD2-CG 4.49Å; L488-P554 WeakPolarHBondContact CD2-O 3.35Å; W492-P554 HydrophobicContact CB-CG 4.16Å; Y493-P554 WeakPolarHBondContact O-CD 3.45Å; Y493-P554 WeakPolarHBondContact O-CG 3.27Å; I532-P554 HydrophobicContact CB-CB 4.04Å; I532-P554 HydrophobicContact CG2-CB 3.5Å; G536-P554 WeakPolarHBondContact O-CB 3.48Å
555	F	93.4	Very high	96	Very high	1 Å²	1	18.4 Å²	18.4	0%	0.004	11%	0.109	C	C	.	.			trans	-68.5	146.4	172.9	-75.6	-72.4	0	0	0	110.8	R480 L482 R485 L488 I532 Y553 P557 P558 I559	R480-F555 HydrophobicContact CG-CE2 4.3Å; R480-F555 HydrophobicContact CG-CZ 3.88Å; L482-F555 HydrophobicContact CB-CE1 3.86Å; L482-F555 HydrophobicContact CB-CE2 3.92Å; L482-F555 HydrophobicContact CB-CZ 3.51Å; L482-F555 HydrophobicContact CD2-CD2 4.41Å; L482-F555 HydrophobicContact CD2-CE2 4.3Å; R485-F555 HydrophobicContact CB-CD1 4.15Å; L488-F555 HydrophobicContact CD1-CD1 4.46Å; L488-F555 HydrophobicContact CD1-CD2 4.41Å; L488-F555 HydrophobicContact CD1-CE1 4.31Å; L488-F555 HydrophobicContact CD1-CE2 4.26Å; L488-F555 HydrophobicContact CD1-CZ 4.21Å; L488-F555 HydrophobicContact CD2-CD1 3.91Å; L488-F555 HydrophobicContact CD2-CE1 4.25Å; L488-F555 HydrophobicContact CD2-CG 4.31Å; L488-F555 HydrophobicContact CG-CD1 3.88Å; L488-F555 HydrophobicContact CG-CE1 3.72Å; L488-F555 HydrophobicContact CG-CG 4.37Å; L488-F555 HydrophobicContact CG-CZ 4.07Å; I532-F555 WeakPolarHBondContact CD1-O 3.3Å; Y553-F555 HydrophobicContact CG-CE2 4.35Å; Y553-F555 PolarHBondContact O-N 3.48Å; F555-P557 CarbonylContact C-O 3.59Å; F555-P557 CarbonylContact O-C 3.49Å; F555-P557 VanDerWaalsContact O-C 3.24Å; F555-P558 VanDerWaalsContact O-CA 3.25Å; F555-P558 WeakPolarHBondContact O-CA 3.29Å; F555-I559 HydrophobicContact CB-CG2 4.49Å; F555-I559 HydrophobicContact CD2-CD1 3.88Å; F555-I559 HydrophobicContact CD2-CG1 4.44Å; F555-I559 HydrophobicContact CE2-CD1 4.36Å
556	N	88.1	Confident	96.3	Very high	89 Å²	89	13.8 Å²	13.8	48%	0.476	8%	0.076	S	C	.	.	S	Bend	trans	-117.3	119.9	166.5	-176.7	6.3	0	0	0	108.4	I532 N533	I532-N556 HydrophobicContact CD1-CB 4.29Å; N533-N556 PolarHBondContact OD1-ND2 2Å
557	P	89.1	Confident	96.5	Very high	23 Å²	23	10.8 Å²	10.8	15%	0.149	6%	0.06	C	C	.	.	S	Bend	cis	-66.6	152.6	-2.8	29.2	-37.6	0	0	0	113.4	R485 F555 S626 D628	R485-P557 WeakPolarHBondContact CD-O 3.4Å; R485-P557 PolarHBondContact NE-O 2.9Å; F555-P557 CarbonylContact C-O 3.59Å; F555-P557 CarbonylContact O-C 3.49Å; F555-P557 VanDerWaalsContact O-C 3.24Å; P557-S626 WeakPolarHBondContact CG-OG 3.14Å; P557-D628 HydrophobicContact CG-CB 4.05Å; P557-D628 WeakPolarHBondContact CG-OD2 3.39Å
558	P	92.6	Very high	96.6	Very high	27 Å²	27	9.8 Å²	9.8	18%	0.175	6%	0.055	C	C	.	.			trans	-61.1	159.3	-178.9	23.2	-31.9	0	0	0	113	I532 E551 F555	I532-P558 HydrophobicContact CD1-CB 4.27Å; E551-P558 HydrophobicContact CG-CB 4.35Å; E551-P558 WeakPolarHBondContact OE1-CB 3.33Å; F555-P558 VanDerWaalsContact O-CA 3.25Å; F555-P558 WeakPolarHBondContact O-CA 3.29Å
559	I	93.3	Very high	96.6	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	5%	0.052	C	C	.	.			trans	-120.4	-18.6	-176.7	58.6	170.3	0	0	0	113.8	L482 R485 E551 Y553 F555 I561 D621 L622 R623	L482-I559 HydrophobicContact CD2-CD1 4.37Å; L482-I559 HydrophobicContact CD2-CG2 3.91Å; R485-I559 VanDerWaalsContact CZ-CG2 3.46Å; E551-I559 PolarHBondContact OE2-N 3.33Å; Y553-I559 HydrophobicContact CD2-CD1 4.34Å; F555-I559 HydrophobicContact CB-CG2 4.49Å; F555-I559 HydrophobicContact CD2-CD1 3.88Å; F555-I559 HydrophobicContact CD2-CG1 4.44Å; F555-I559 HydrophobicContact CE2-CD1 4.36Å; I559-I561 HydrophobicContact CD1-CD1 3.56Å; I559-I561 HydrophobicContact CD1-CG1 3.77Å; I559-I561 HydrophobicContact CG1-CD1 4.34Å; I559-I561 HydrophobicContact CG1-CG1 4.12Å; I559-D621 WeakPolarHBondContact O-CB 3.46Å; I559-L622 CarbonylContact O-C 3.57Å; I559-L622 PolarHBondContact O-N 2.77Å; I559-R623 HydrophobicContact CB-CB 4Å; I559-R623 HydrophobicContact CG2-CB 3.79Å; I559-R623 PolarHBondContact O-N 2.92Å
560	H	96.5	Very high	96.6	Very high	12 Å²	12	9.4 Å²	9.4	6%	0.056	5%	0.052	C	C	.	.			trans	58.1	60.7	173.1	-42.6	96.1	0	0	0	113.5	F541 W549 E551 L562 F612 D621 L622	F541-H560 AromaticContact CD2-CD2 3.93Å; F541-H560 AromaticContact CD2-CE1 3.68Å; F541-H560 AromaticContact CD2-ND1 3.99Å; F541-H560 AromaticContact CD2-NE2 3.64Å; W549-H560 AromaticContact CD1-CD2 3.87Å; W549-H560 HydrophobicContact CD2-CB 4.05Å; W549-H560 AromaticContact CD2-CD2 3.95Å; W549-H560 HydrophobicContact CG-CB 4.34Å; W549-H560 AromaticContact CG-CD2 3.57Å; W549-H560 HydrophobicContact CZ2-CB 4.07Å; E551-H560 IonicContact OE1-CD2 2.74Å; E551-H560 PolarHBondContact OE1-CD2 2.63Å; E551-H560 IonicContact OE1-CG 2.77Å; E551-H560 IonicContact OE1-NE2 2.89Å; E551-H560 PolarHBondContact OE2-N 2.93Å; H560-L562 PolarHBondContact O-N 2.97Å; H560-F612 WeakPolarHBondContact O-CE1 3.36Å; H560-F612 WeakPolarHBondContact O-CZ 3.49Å; H560-D621 WeakPolarHBondContact O-CA 3.2Å; H560-L622 HydrophobicContact CB-CB 4.13Å; H560-L622 HydrophobicContact CB-CD1 4.41Å; H560-L622 HydrophobicContact CB-CG 4.36Å; H560-L622 PolarHBondContact O-N 3.36Å
561	I	98.2	Very high	96.6	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-70.3	124.1	175.8	-67.9	169.4	0	0	0	110.3	E552 Y553 I559 N563 F565 Y620 D621	E552-I561 HydrophobicContact CB-CB 4.24Å; E552-I561 HydrophobicContact CB-CD1 4.18Å; E552-I561 VanDerWaalsContact OE2-CG2 3.31Å; E552-I561 WeakPolarHBondContact OE2-CG2 3.49Å; Y553-I561 HydrophobicContact CD2-CD1 3.28Å; Y553-I561 HydrophobicContact CE2-CD1 3.45Å; Y553-I561 VanDerWaalsContact CE2-CD1 3.45Å; Y553-I561 HydrophobicContact CG-CD1 4.45Å; I559-I561 HydrophobicContact CD1-CD1 3.56Å; I559-I561 HydrophobicContact CD1-CG1 3.77Å; I559-I561 HydrophobicContact CG1-CD1 4.34Å; I559-I561 HydrophobicContact CG1-CG1 4.12Å; I561-N563 WeakPolarHBondContact CG2-OD1 2.93Å; I561-F565 PolarHBondContact O-N 3.33Å; I561-Y620 HydrophobicContact CD1-CE1 4.01Å; I561-Y620 HydrophobicContact CG1-CD1 4.5Å; I561-Y620 HydrophobicContact CG1-CE1 4.01Å; I561-Y620 HydrophobicContact CG2-CE1 3.92Å; I561-Y620 HydrophobicContact CG2-CE2 4.2Å; I561-D621 HydrophobicContact CB-CB 4.42Å; I561-D621 HydrophobicContact CG1-CB 3.79Å
562	L	98.8	Very high	96.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.6	-55.5	-172.6	-175	57.6	0	0	0	112.8	W549 H560 G564 F565 I566 L605 L609 F612 Y620 H663 W688	W549-L562 HydrophobicContact CH2-CD1 4.22Å; H560-L562 PolarHBondContact O-N 2.97Å; L562-G564 VanDerWaalsContact C-N 3.29Å; L562-G564 PolarHBondContact O-N 2.89Å; L562-F565 PolarHBondContact O-N 3.14Å; L562-I566 HydrophobicContact CD1-CD1 3.89Å; L562-I566 HydrophobicContact CD1-CG1 4.32Å; L562-I566 HydrophobicContact CG-CD1 3.99Å; L562-I566 PolarHBondContact O-N 3.35Å; L562-L605 HydrophobicContact CD1-CD1 3.73Å; L562-L609 HydrophobicContact CD1-CD1 4.33Å; L562-L609 HydrophobicContact CD2-CD1 4.43Å; L562-F612 HydrophobicContact CB-CD1 3.73Å; L562-F612 HydrophobicContact CB-CE1 3.56Å; L562-F612 HydrophobicContact CB-CG 4.42Å; L562-F612 HydrophobicContact CB-CZ 4.14Å; L562-F612 HydrophobicContact CD1-CD1 4.26Å; L562-F612 HydrophobicContact CD1-CD2 4.05Å; L562-F612 HydrophobicContact CD1-CE1 4.24Å; L562-F612 HydrophobicContact CD1-CE2 4.03Å; L562-F612 HydrophobicContact CD1-CG 4.15Å; L562-F612 HydrophobicContact CD1-CZ 4.11Å; L562-F612 HydrophobicContact CD2-CB 4.01Å; L562-F612 HydrophobicContact CD2-CD1 3.92Å; L562-F612 HydrophobicContact CD2-CG 3.93Å; L562-F612 HydrophobicContact CG-CD1 4.18Å; L562-F612 HydrophobicContact CG-CE1 4.31Å; L562-F612 HydrophobicContact CG-CG 4.4Å; L562-Y620 PolarHBondContact N-O 3Å; L562-Y620 VanDerWaalsContact N-O 3.08Å; L562-H663 HydrophobicContact CD2-CB 4.35Å; L562-W688 HydrophobicContact CD2-CH2 3.78Å; L562-W688 HydrophobicContact CD2-CZ3 4.06Å
563	N	98.5	Very high	96.6	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.021	6%	0.055	C	C	.	.	H	α-helix	trans	-61.2	-40.5	-173.8	63	-79.1	0	0	0	112	E552 I561 F565 I566 Y567 Y620 L662 Q666	E552-N563 PolarHBondContact OE2-ND2 3.02Å; I561-N563 WeakPolarHBondContact CG2-OD1 2.93Å; N563-F565 VanDerWaalsContact C-N 3.35Å; N563-I566 PolarHBondContact O-N 3.31Å; N563-Y567 WeakPolarHBondContact O-CD2 3.35Å; N563-Y567 PolarHBondContact O-N 3.27Å; N563-Y620 WeakPolarHBondContact OD1-CE2 3.48Å; N563-L662 HydrophobicContact CB-CD2 3.98Å; N563-Q666 VanDerWaalsContact CA-OE1 3.27Å; N563-Q666 PolarHBondContact O-NE2 3.33Å
564	G	98.6	Very high	96.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-68.4	-36.7	-178.2	0	0	0	0	0	112.4	E552 L562 S568	E552-G564 VanDerWaalsContact OE2-CA 3.27Å; E552-G564 WeakPolarHBondContact OE2-CA 3.46Å; E552-G564 PolarHBondContact OE2-N 3.08Å; L562-G564 VanDerWaalsContact C-N 3.29Å; L562-G564 PolarHBondContact O-N 2.89Å; G564-S568 PolarHBondContact O-N 3.5Å; G564-S568 VanDerWaalsContact O-N 3.08Å
565	F	98.9	Very high	96.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-63.4	-50.1	172.4	-173.4	-120.1	0	0	0	111.4	W549 F550 I561 L562 N563 Y567 S568 L569 G601 L605	W549-F565 HydrophobicContact CB-CE2 4.48Å; W549-F565 HydrophobicContact CD2-CB 4.34Å; W549-F565 HydrophobicContact CD2-CD1 4.02Å; W549-F565 AromaticContact CD2-CD2 3.9Å; W549-F565 HydrophobicContact CD2-CD2 3.9Å; W549-F565 HydrophobicContact CD2-CE1 4.2Å; W549-F565 HydrophobicContact CD2-CE2 4.14Å; W549-F565 AromaticContact CD2-CG 3.84Å; W549-F565 HydrophobicContact CD2-CG 3.84Å; W549-F565 HydrophobicContact CD2-CZ 4.27Å; W549-F565 AromaticContact CE2-CD1 3.91Å; W549-F565 AromaticContact CE2-CD2 3.88Å; W549-F565 AromaticContact CE2-CG 3.5Å; W549-F565 AromaticContact CE3-CD1 3.91Å; W549-F565 HydrophobicContact CE3-CD1 3.91Å; W549-F565 HydrophobicContact CE3-CD2 4.47Å; W549-F565 AromaticContact CE3-CE1 3.81Å; W549-F565 HydrophobicContact CE3-CE1 3.81Å; W549-F565 HydrophobicContact CE3-CE2 4.44Å; W549-F565 HydrophobicContact CE3-CG 4.21Å; W549-F565 HydrophobicContact CE3-CZ 4.1Å; W549-F565 HydrophobicContact CG-CD2 4.02Å; W549-F565 HydrophobicContact CG-CE2 4.17Å; W549-F565 HydrophobicContact CG-CG 4.41Å; W549-F565 HydrophobicContact CH2-CB 4.11Å; W549-F565 AromaticContact CH2-CD1 3.61Å; W549-F565 HydrophobicContact CH2-CD1 3.61Å; W549-F565 HydrophobicContact CH2-CE1 4.22Å; W549-F565 HydrophobicContact CH2-CG 4.01Å; W549-F565 HydrophobicContact CZ2-CB 3.38Å; W549-F565 AromaticContact CZ2-CD1 3.73Å; W549-F565 HydrophobicContact CZ2-CD1 3.73Å; W549-F565 HydrophobicContact CZ2-CD2 4.44Å; W549-F565 AromaticContact CZ2-CG 3.62Å; W549-F565 HydrophobicContact CZ2-CG 3.62Å; W549-F565 AromaticContact CZ3-CD1 3.7Å; W549-F565 HydrophobicContact CZ3-CD1 3.7Å; W549-F565 AromaticContact CZ3-CE1 3.82Å; W549-F565 HydrophobicContact CZ3-CE1 3.82Å; W549-F565 HydrophobicContact CZ3-CG 4.29Å; W549-F565 AromaticContact NE1-CD2 3.89Å; W549-F565 AromaticContact NE1-CG 3.84Å; F550-F565 HydrophobicContact CB-CD2 3.81Å; F550-F565 HydrophobicContact CB-CE2 3.93Å; F550-F565 HydrophobicContact CD2-CD2 4.06Å; F550-F565 AromaticContact CD2-CE2 3.5Å; F550-F565 HydrophobicContact CD2-CE2 3.5Å; F550-F565 VanDerWaalsContact CD2-CE2 3.5Å; F550-F565 HydrophobicContact CD2-CZ 4.46Å; F550-F565 HydrophobicContact CE2-CE2 4.27Å; F550-F565 HydrophobicContact CG-CD2 4.27Å; F550-F565 AromaticContact CG-CE2 3.89Å; F550-F565 HydrophobicContact CG-CE2 3.89Å; I561-F565 PolarHBondContact O-N 3.33Å; L562-F565 PolarHBondContact O-N 3.14Å; N563-F565 VanDerWaalsContact C-N 3.35Å; F565-Y567 VanDerWaalsContact C-N 3.32Å; F565-Y567 PolarHBondContact O-N 3.48Å; F565-S568 WeakPolarHBondContact O-CA 2.95Å; F565-S568 WeakPolarHBondContact O-CB 3.43Å; F565-S568 PolarHBondContact O-N 3.49Å; F565-S568 PolarHBondContact O-OG 2.98Å; F565-L569 HydrophobicContact CD1-CD1 4.22Å; F565-L569 HydrophobicContact CE1-CD1 3.93Å; F565-L569 HydrophobicContact CE2-CD2 4.46Å; F565-L569 HydrophobicContact CZ-CD1 4.3Å; F565-L569 HydrophobicContact CZ-CD2 4.37Å; F565-L569 PolarHBondContact O-N 2.88Å; F565-L569 VanDerWaalsContact O-N 3.14Å; F565-G601 WeakPolarHBondContact CE1-O 3.48Å; F565-G601 VanDerWaalsContact CZ-O 3.3Å; F565-G601 WeakPolarHBondContact CZ-O 3.39Å; F565-L605 HydrophobicContact CD1-CB 4.41Å; F565-L605 HydrophobicContact CD1-CD1 4.22Å; F565-L605 HydrophobicContact CE1-CB 3.85Å; F565-L605 HydrophobicContact CE1-CD1 4.45Å
566	I	98.8	Very high	97	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.1	-41.9	179.8	-61.4	170.7	0	0	0	111.2	L562 N563 S568 L569 V570 L605 Q666 L670	L562-I566 HydrophobicContact CD1-CD1 3.89Å; L562-I566 HydrophobicContact CD1-CG1 4.32Å; L562-I566 HydrophobicContact CG-CD1 3.99Å; L562-I566 PolarHBondContact O-N 3.35Å; N563-I566 PolarHBondContact O-N 3.31Å; I566-S568 VanDerWaalsContact C-N 3.26Å; I566-S568 PolarHBondContact O-N 3.01Å; I566-L569 PolarHBondContact O-N 2.91Å; I566-L569 VanDerWaalsContact O-N 3.1Å; I566-V570 HydrophobicContact CG2-CG2 4.38Å; I566-V570 WeakPolarHBondContact O-CG2 3.37Å; I566-V570 PolarHBondContact O-N 3.17Å; I566-L605 HydrophobicContact CD1-CD2 4.32Å; I566-L605 HydrophobicContact CG1-CD1 4.33Å; I566-L605 HydrophobicContact CG1-CD2 3.82Å; I566-Q666 HydrophobicContact CB-CB 4.5Å; I566-Q666 HydrophobicContact CB-CG 4.5Å; I566-Q666 HydrophobicContact CD1-CB 3.98Å; I566-Q666 HydrophobicContact CG2-CB 3.92Å; I566-Q666 HydrophobicContact CG2-CG 4.05Å; I566-L670 HydrophobicContact CD1-CD1 4.25Å; I566-L670 HydrophobicContact CG1-CD1 4.35Å; I566-L670 HydrophobicContact CG2-CD1 4.01Å; I566-L670 HydrophobicContact CG2-CD2 4.37Å; I566-L670 HydrophobicContact CG2-CG 4.24Å
567	Y	98.7	Very high	97.5	Very high	11 Å²	11	9 Å²	9	4%	0.043	4%	0.044	C	C	.	.	H	α-helix	trans	-60.8	-34.4	174.6	-80.3	-53.5	0	0	0	113.4	Y154 M155 F157 M496 Q500 N563 F565 L569 V570 G571 L662 Q666	Y154-Y567 HydrophobicContact CE1-CE1 4.18Å; Y154-Y567 VanDerWaalsContact OH-CD1 3.25Å; Y154-Y567 WeakPolarHBondContact OH-CD1 3.5Å; M155-Y567 HydrophobicContact SD-CD1 4.21Å; M155-Y567 HydrophobicContact SD-CE1 3.59Å; M155-Y567 VanDerWaalsContact SD-CE1 3.59Å; F157-Y567 HydrophobicContact CE2-CE1 4.28Å; M496-Y567 HydrophobicContact CE-CD2 3.32Å; M496-Y567 HydrophobicContact CE-CE2 3.5Å; M496-Y567 VanDerWaalsContact CE-CE2 3.5Å; M496-Y567 HydrophobicContact CE-CG 4.22Å; M496-Y567 HydrophobicContact CG-CD2 4.06Å; M496-Y567 HydrophobicContact CG-CG 4.36Å; M496-Y567 HydrophobicContact SD-CD2 3.79Å; M496-Y567 HydrophobicContact SD-CE2 4.43Å; Q500-Y567 HydrophobicContact CG-CD1 4.32Å; Q500-Y567 HydrophobicContact CG-CG 4.29Å; N563-Y567 WeakPolarHBondContact O-CD2 3.35Å; N563-Y567 PolarHBondContact O-N 3.27Å; F565-Y567 VanDerWaalsContact C-N 3.32Å; F565-Y567 PolarHBondContact O-N 3.48Å; Y567-L569 VanDerWaalsContact C-N 3.33Å; Y567-V570 PolarHBondContact O-N 3.11Å; Y567-G571 PolarHBondContact O-N 3.43Å; Y567-L662 HydrophobicContact CE2-CD2 4.21Å; Y567-L662 VanDerWaalsContact OH-CD1 3.29Å; Y567-L662 WeakPolarHBondContact OH-CD1 3.47Å; Y567-Q666 VanDerWaalsContact CD2-NE2 3.31Å
568	S	98.8	Very high	97.9	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-62.4	-41.4	173.6	83.4	0	0	0	0	112	A495 G564 F565 I566 G571 L572	A495-S568 VanDerWaalsContact O-CB 3.29Å; A495-S568 WeakPolarHBondContact O-CB 2.87Å; G564-S568 PolarHBondContact O-N 3.5Å; G564-S568 VanDerWaalsContact O-N 3.08Å; F565-S568 WeakPolarHBondContact O-CA 2.95Å; F565-S568 WeakPolarHBondContact O-CB 3.43Å; F565-S568 PolarHBondContact O-N 3.49Å; F565-S568 PolarHBondContact O-OG 2.98Å; I566-S568 VanDerWaalsContact C-N 3.26Å; I566-S568 PolarHBondContact O-N 3.01Å; S568-G571 PolarHBondContact O-N 3.3Å; S568-L572 PolarHBondContact O-N 3.34Å
569	L	98.8	Very high	98.1	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-69.2	-38.7	177.8	-56.3	-179	0	0	0	112.3	F550 F565 I566 Y567 G571 L572 Y573 L598 L602 L605	F550-L569 HydrophobicContact CD2-CD2 4.11Å; F550-L569 HydrophobicContact CE2-CD2 3.98Å; F565-L569 HydrophobicContact CD1-CD1 4.22Å; F565-L569 HydrophobicContact CE1-CD1 3.93Å; F565-L569 HydrophobicContact CE2-CD2 4.46Å; F565-L569 HydrophobicContact CZ-CD1 4.3Å; F565-L569 HydrophobicContact CZ-CD2 4.37Å; F565-L569 PolarHBondContact O-N 2.88Å; F565-L569 VanDerWaalsContact O-N 3.14Å; I566-L569 PolarHBondContact O-N 2.91Å; I566-L569 VanDerWaalsContact O-N 3.1Å; Y567-L569 VanDerWaalsContact C-N 3.33Å; L569-G571 VanDerWaalsContact C-N 3.26Å; L569-G571 PolarHBondContact O-N 2.89Å; L569-L572 HydrophobicContact CD2-CD1 4.32Å; L569-L572 PolarHBondContact O-N 2.9Å; L569-Y573 WeakPolarHBondContact O-CB 3.32Å; L569-Y573 PolarHBondContact O-N 3.43Å; L569-L598 HydrophobicContact CB-CD1 4.21Å; L569-L598 WeakPolarHBondContact O-CD1 3.36Å; L569-L602 HydrophobicContact CD1-CD2 3.87Å; L569-L602 HydrophobicContact CD1-CG 4.18Å; L569-L605 HydrophobicContact CD1-CB 4.49Å; L569-L605 HydrophobicContact CD1-CD2 4.17Å
570	V	98.4	Very high	98.3	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.006	5%	0.053	C	C	.	.	H	α-helix	trans	-59.6	-40	174.6	177.2	0	0	0	0	110.8	Y154 I566 Y567 Y573 D574 L673	Y154-V570 HydrophobicContact CE2-CG1 3.62Å; I566-V570 HydrophobicContact CG2-CG2 4.38Å; I566-V570 WeakPolarHBondContact O-CG2 3.37Å; I566-V570 PolarHBondContact O-N 3.17Å; Y567-V570 PolarHBondContact O-N 3.11Å; V570-Y573 PolarHBondContact O-N 3.31Å; V570-D574 PolarHBondContact O-N 3.38Å; V570-L673 HydrophobicContact CB-CD2 4.45Å; V570-L673 HydrophobicContact CG1-CD2 4.49Å; V570-L673 HydrophobicContact CG2-CD2 3.91Å
571	G	98.7	Very high	98.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.6	-46.4	174.7	0	0	0	0	0	113.4	G499 I502 S503 Y567 S568 L569 Y573 D574 Y575	G499-G571 VanDerWaalsContact O-CA 3.22Å; G499-G571 WeakPolarHBondContact O-CA 3.31Å; I502-G571 VanDerWaalsContact CG2-O 3.25Å; I502-G571 WeakPolarHBondContact CG2-O 3.28Å; S503-G571 WeakPolarHBondContact OG-CA 3.41Å; Y567-G571 PolarHBondContact O-N 3.43Å; S568-G571 PolarHBondContact O-N 3.3Å; L569-G571 VanDerWaalsContact C-N 3.26Å; L569-G571 PolarHBondContact O-N 2.89Å; G571-Y573 VanDerWaalsContact C-N 3.35Å; G571-Y573 PolarHBondContact O-N 3.38Å; G571-D574 PolarHBondContact O-N 3.26Å; G571-Y575 PolarHBondContact O-N 3.37Å; G571-Y575 VanDerWaalsContact O-N 3.15Å
572	L	98.8	Very high	97.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.6	-42.8	175.5	-66.9	170.7	0	0	0	111.6	L525 F528 F550 S568 L569 Y575 V576 Y597 L598	L525-L572 HydrophobicContact CD2-CD2 3.75Å; F528-L572 HydrophobicContact CD1-CD1 4.07Å; F528-L572 HydrophobicContact CD1-CD2 4.49Å; F528-L572 HydrophobicContact CD2-CD2 4.3Å; F528-L572 HydrophobicContact CE1-CD1 3.82Å; F528-L572 HydrophobicContact CE1-CD2 4.27Å; F528-L572 HydrophobicContact CE1-CG 4.1Å; F528-L572 HydrophobicContact CE2-CD2 4.06Å; F528-L572 HydrophobicContact CZ-CD1 4.33Å; F528-L572 HydrophobicContact CZ-CD2 4.04Å; F528-L572 HydrophobicContact CZ-CG 4.09Å; F550-L572 HydrophobicContact CE2-CD1 4.09Å; S568-L572 PolarHBondContact O-N 3.34Å; L569-L572 HydrophobicContact CD2-CD1 4.32Å; L569-L572 PolarHBondContact O-N 2.9Å; L572-Y575 PolarHBondContact O-N 3.19Å; L572-V576 WeakPolarHBondContact O-CB 3.47Å; L572-V576 VanDerWaalsContact O-CG2 3.29Å; L572-V576 WeakPolarHBondContact O-CG2 3.31Å; L572-V576 PolarHBondContact O-N 3.47Å; L572-Y597 HydrophobicContact CD2-CD2 4.44Å; L572-L598 HydrophobicContact CB-CB 4.14Å; L572-L598 HydrophobicContact CB-CD1 4.19Å
573	Y	98.7	Very high	97.6	Very high	25 Å²	25	24.4 Å²	24.4	10%	0.098	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-48	175.5	175	-88.5	0	0	0	112.4	H148 P150 L569 V570 G571 Y575 V576 K577 L598 L673	H148-Y573 AromaticContact CD2-CE1 3.92Å; P150-Y573 HydrophobicContact CG-CD1 4.25Å; P150-Y573 HydrophobicContact CG-CE1 3.81Å; L569-Y573 WeakPolarHBondContact O-CB 3.32Å; L569-Y573 PolarHBondContact O-N 3.43Å; V570-Y573 PolarHBondContact O-N 3.31Å; G571-Y573 VanDerWaalsContact C-N 3.35Å; G571-Y573 PolarHBondContact O-N 3.38Å; Y573-Y575 PolarHBondContact O-N 2.92Å; Y573-V576 PolarHBondContact O-N 2.94Å; Y573-K577 HydrophobicContact CD1-CG 4.06Å; Y573-K577 HydrophobicContact CD2-CG 4.26Å; Y573-K577 HydrophobicContact CE1-CG 3.62Å; Y573-K577 HydrophobicContact CE2-CD 4.23Å; Y573-K577 HydrophobicContact CE2-CG 3.84Å; Y573-K577 HydrophobicContact CG-CG 4.37Å; Y573-K577 WeakPolarHBondContact O-CB 3.49Å; Y573-K577 WeakPolarHBondContact O-CG 3.38Å; Y573-K577 PolarHBondContact O-N 3.31Å; Y573-K577 WeakPolarHBondContact OH-CE 3.44Å; Y573-L598 HydrophobicContact CD2-CD2 4.27Å; Y573-L673 HydrophobicContact CD1-CD1 4.32Å; Y573-L673 HydrophobicContact CD1-CD2 4Å; Y573-L673 HydrophobicContact CD1-CG 3.66Å; Y573-L673 HydrophobicContact CD2-CB 3.99Å; Y573-L673 HydrophobicContact CD2-CD2 4.39Å; Y573-L673 HydrophobicContact CD2-CG 3.79Å; Y573-L673 HydrophobicContact CE1-CD1 4.02Å; Y573-L673 HydrophobicContact CE1-CG 3.72Å; Y573-L673 HydrophobicContact CE2-CB 3.97Å; Y573-L673 HydrophobicContact CE2-CG 3.84Å; Y573-L673 WeakPolarHBondContact CE2-O 3.45Å; Y573-L673 HydrophobicContact CG-CB 4.36Å; Y573-L673 HydrophobicContact CG-CD2 3.93Å; Y573-L673 HydrophobicContact CG-CG 3.69Å
574	D	98.5	Very high	97.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.9	-42.8	-179.4	-78.7	-8.2	0	0	0	111	H148 P150 S503 V506 R507 V570 G571 L578	H148-D574 IonicContact CD2-OD1 3.18Å; H148-D574 IonicContact CE1-OD1 3.3Å; H148-D574 IonicContact NE2-OD1 2.85Å; H148-D574 PolarHBondContact NE2-OD1 3.16Å; H148-D574 IonicContact NE2-OD2 3.4Å; P150-D574 WeakPolarHBondContact CA-OD1 3.36Å; P150-D574 HydrophobicContact CB-CB 4.14Å; S503-D574 VanDerWaalsContact CB-OD2 3.25Å; S503-D574 WeakPolarHBondContact CB-OD2 3.22Å; S503-D574 PolarHBondContact OG-OD2 2.64Å; V506-D574 HydrophobicContact CG1-CB 4.44Å; R507-D574 IonicContact CZ-OD2 3.76Å; R507-D574 IonicContact NH1-OD2 2.92Å; R507-D574 PolarHBondContact NH1-OD2 3.24Å; R507-D574 IonicContact NH2-OD2 3.32Å; V570-D574 PolarHBondContact O-N 3.38Å; G571-D574 PolarHBondContact O-N 3.26Å; D574-L578 WeakPolarHBondContact O-CB 3.48Å; D574-L578 PolarHBondContact O-N 3.28Å
575	Y	98.6	Very high	97.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.5	-48.1	178.3	179.2	-101.6	0	0	0	113.1	I502 V506 L518 C521 H522 L525 G571 L572 Y573 K577 L578 L579 Y590 A594	I502-Y575 HydrophobicContact CG2-CD2 4.45Å; I502-Y575 HydrophobicContact CG2-CG 4.3Å; V506-Y575 HydrophobicContact CG2-CD2 4.2Å; L518-Y575 HydrophobicContact CD1-CD2 4.49Å; L518-Y575 HydrophobicContact CD1-CE2 3.83Å; C521-Y575 HydrophobicContact CB-CD2 3.55Å; C521-Y575 HydrophobicContact CB-CE2 3.42Å; C521-Y575 VanDerWaalsContact CB-CE2 3.42Å; H522-Y575 PolarHBondContact CE1-OH 2.88Å; H522-Y575 AromaticContact ND1-CZ 3.84Å; H522-Y575 PolarHBondContact ND1-OH 3.11Å; L525-Y575 HydrophobicContact CD1-CD1 4.45Å; L525-Y575 HydrophobicContact CD1-CE1 3.76Å; L525-Y575 HydrophobicContact CD2-CD1 4.35Å; L525-Y575 HydrophobicContact CD2-CE1 4.43Å; G571-Y575 PolarHBondContact O-N 3.37Å; G571-Y575 VanDerWaalsContact O-N 3.15Å; L572-Y575 PolarHBondContact O-N 3.19Å; Y573-Y575 PolarHBondContact O-N 2.92Å; Y575-K577 VanDerWaalsContact C-N 3.34Å; Y575-K577 PolarHBondContact O-N 2.91Å; Y575-L578 WeakPolarHBondContact O-CB 3.47Å; Y575-L578 PolarHBondContact O-N 3.27Å; Y575-L579 HydrophobicContact CD1-CD1 4.41Å; Y575-L579 HydrophobicContact CE1-CD1 3.63Å; Y575-L579 HydrophobicContact CE1-CG 4.4Å; Y575-L579 HydrophobicContact CE2-CD1 4.24Å; Y575-L579 HydrophobicContact CE2-CG 4.42Å; Y575-L579 PolarHBondContact O-N 3.07Å; Y575-L579 VanDerWaalsContact O-N 3.16Å; Y575-L579 WeakPolarHBondContact OH-CD1 3.39Å; Y575-Y590 VanDerWaalsContact OH-CB 3.31Å; Y575-Y590 WeakPolarHBondContact OH-CB 3.47Å; Y575-A594 HydrophobicContact CD1-CB 3.58Å; Y575-A594 HydrophobicContact CE1-CB 3.8Å
576	V	98.5	Very high	97.2	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.024	22%	0.224	C	C	.	.	H	α-helix	trans	-56	-48.8	175.3	162.2	0	0	0	0	110.7	L572 Y573 L578 L579 V580 L591 A594 Q595 L598	L572-V576 WeakPolarHBondContact O-CB 3.47Å; L572-V576 VanDerWaalsContact O-CG2 3.29Å; L572-V576 WeakPolarHBondContact O-CG2 3.31Å; L572-V576 PolarHBondContact O-N 3.47Å; Y573-V576 PolarHBondContact O-N 2.94Å; V576-L578 VanDerWaalsContact C-N 3.35Å; V576-L578 PolarHBondContact O-N 3.41Å; V576-L579 PolarHBondContact O-N 3.44Å; V576-V580 HydrophobicContact CG1-CG2 4.31Å; V576-V580 WeakPolarHBondContact O-CG2 3.46Å; V576-V580 PolarHBondContact O-N 2.89Å; V576-L591 HydrophobicContact CB-CD1 4.33Å; V576-L591 HydrophobicContact CG1-CD1 4.01Å; V576-L591 HydrophobicContact CG2-CD1 4.31Å; V576-A594 HydrophobicContact CG2-CB 3.76Å; V576-Q595 HydrophobicContact CG2-CB 4.36Å; V576-L598 HydrophobicContact CG2-CD2 4.35Å
577	K	97.3	Very high	97.1	Very high	79 Å²	79	39.9 Å²	39.9	34%	0.343	23%	0.226	S	C	.	.	H	α-helix	trans	-64.8	-36.9	-179.1	-74.2	-59.2	-171.8	-176	0	113	P150 Y573 Y575 N581	P150-K577 HydrophobicContact CB-CB 4.27Å; P150-K577 HydrophobicContact CG-CB 3.57Å; P150-K577 HydrophobicContact CG-CG 3.99Å; Y573-K577 HydrophobicContact CD1-CG 4.06Å; Y573-K577 HydrophobicContact CD2-CG 4.26Å; Y573-K577 HydrophobicContact CE1-CG 3.62Å; Y573-K577 HydrophobicContact CE2-CD 4.23Å; Y573-K577 HydrophobicContact CE2-CG 3.84Å; Y573-K577 HydrophobicContact CG-CG 4.37Å; Y573-K577 WeakPolarHBondContact O-CB 3.49Å; Y573-K577 WeakPolarHBondContact O-CG 3.38Å; Y573-K577 PolarHBondContact O-N 3.31Å; Y573-K577 WeakPolarHBondContact OH-CE 3.44Å; Y575-K577 VanDerWaalsContact C-N 3.34Å; Y575-K577 PolarHBondContact O-N 2.91Å; K577-N581 WeakPolarHBondContact O-CB 3.29Å; K577-N581 PolarHBondContact O-N 2.91Å; K577-N581 VanDerWaalsContact O-N 3.12Å; K577-N581 PolarHBondContact O-ND2 3.42Å
578	L	97	Very high	97.1	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-58.1	-49.7	173.8	177.5	73.7	0	0	0	110.8	V151 V506 Y509 L518 D574 Y575 V576 N581 S582	V151-L578 HydrophobicContact CG1-CD1 4.34Å; V506-L578 HydrophobicContact CB-CD2 4.4Å; V506-L578 HydrophobicContact CG1-CB 4.07Å; V506-L578 HydrophobicContact CG1-CD1 4.44Å; V506-L578 HydrophobicContact CG1-CD2 4.04Å; V506-L578 HydrophobicContact CG1-CG 4.4Å; V506-L578 HydrophobicContact CG2-CD2 4.11Å; Y509-L578 HydrophobicContact CD1-CD1 4.11Å; Y509-L578 HydrophobicContact CD1-CD2 3.6Å; Y509-L578 HydrophobicContact CD1-CG 4.36Å; Y509-L578 HydrophobicContact CE1-CD1 4.33Å; Y509-L578 HydrophobicContact CE1-CD2 4.08Å; L518-L578 HydrophobicContact CD1-CD2 3.9Å; D574-L578 WeakPolarHBondContact O-CB 3.48Å; D574-L578 PolarHBondContact O-N 3.28Å; Y575-L578 WeakPolarHBondContact O-CB 3.47Å; Y575-L578 PolarHBondContact O-N 3.27Å; V576-L578 VanDerWaalsContact C-N 3.35Å; V576-L578 PolarHBondContact O-N 3.41Å; L578-N581 PolarHBondContact O-N 3.32Å; L578-S582 PolarHBondContact O-N 3.15Å
579	L	97.5	Very high	97	Very high	6 Å²	6	46 Å²	46	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-69.9	-38.1	-177.8	-66.6	-170.8	0	0	0	113.2	L518 Y575 V576 N581 S582 T587 L591	L518-L579 HydrophobicContact CD1-CD2 4.12Å; L518-L579 HydrophobicContact CD2-CD2 4.47Å; Y575-L579 HydrophobicContact CD1-CD1 4.41Å; Y575-L579 HydrophobicContact CE1-CD1 3.63Å; Y575-L579 HydrophobicContact CE1-CG 4.4Å; Y575-L579 HydrophobicContact CE2-CD1 4.24Å; Y575-L579 HydrophobicContact CE2-CG 4.42Å; Y575-L579 PolarHBondContact O-N 3.07Å; Y575-L579 VanDerWaalsContact O-N 3.16Å; Y575-L579 WeakPolarHBondContact OH-CD1 3.39Å; V576-L579 PolarHBondContact O-N 3.44Å; L579-N581 VanDerWaalsContact C-N 3.26Å; L579-N581 PolarHBondContact O-N 3.23Å; L579-S582 CarbonylContact O-C 3.48Å; L579-S582 PolarHBondContact O-N 2.88Å; L579-S582 VanDerWaalsContact O-N 3.15Å; L579-T587 HydrophobicContact CD2-CG2 4.23Å; L579-L591 HydrophobicContact CB-CB 4.42Å; L579-L591 HydrophobicContact CB-CD1 4.19Å; L579-L591 HydrophobicContact CB-CD2 4.49Å; L579-L591 HydrophobicContact CD1-CB 3.88Å
580	V	96.8	Very high	97	Very high	73 Å²	73	49.9 Å²	49.9	44%	0.442	29%	0.286	S	S	.	.	H	α-helix	trans	-61.3	-37.7	174.8	168.5	0	0	0	0	111.4	V576 S582 L591	V576-V580 HydrophobicContact CG1-CG2 4.31Å; V576-V580 WeakPolarHBondContact O-CG2 3.46Å; V576-V580 PolarHBondContact O-N 2.89Å; V580-S582 VanDerWaalsContact C-N 3.29Å; V580-S582 PolarHBondContact O-N 3.11Å; V580-L591 HydrophobicContact CG2-CD1 3.96Å; V580-L591 HydrophobicContact CG2-CD2 4.17Å
581	N	95.4	Very high	97	Very high	124 Å²	124	51.8 Å²	51.8	66%	0.663	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-7.3	179.1	-67.7	-15	0	0	0	113.4	K577 L578 L579	K577-N581 WeakPolarHBondContact O-CB 3.29Å; K577-N581 PolarHBondContact O-N 2.91Å; K577-N581 VanDerWaalsContact O-N 3.12Å; K577-N581 PolarHBondContact O-ND2 3.42Å; L578-N581 PolarHBondContact O-N 3.32Å; L579-N581 VanDerWaalsContact C-N 3.26Å; L579-N581 PolarHBondContact O-N 3.23Å
582	S	92.3	Very high	97	Very high	60 Å²	60	55.7 Å²	55.7	42%	0.42	32%	0.323	S	S	.	.	S	Bend	trans	-143.4	70.2	177.4	-62	0	0	0	0	109.6	L578 L579 V580 D584	L578-S582 PolarHBondContact O-N 3.15Å; L579-S582 CarbonylContact O-C 3.48Å; L579-S582 PolarHBondContact O-N 2.88Å; L579-S582 VanDerWaalsContact O-N 3.15Å; V580-S582 VanDerWaalsContact C-N 3.29Å; V580-S582 PolarHBondContact O-N 3.11Å; S582-D584 PolarHBondContact O-N 2.87Å
583	P	92.3	Very high	96.9	Very high	116 Å²	116	58.5 Å²	58.5	75%	0.753	34%	0.335	S	S	*	.			trans	-61.6	131.9	-174.1	-21.8	33.7	0	0	0	112.2
584	D	95	Very high	96.9	Very high	67 Å²	67	57.3 Å²	57.3	36%	0.358	33%	0.331	S	S	.	.			trans	-140.7	123.4	174.7	176.3	-6.1	0	0	0	108.7	S582 L586 T587 S588	S582-D584 PolarHBondContact O-N 2.87Å; D584-L586 PolarHBondContact O-N 3.5Å; D584-L586 VanDerWaalsContact O-N 3.14Å; D584-L586 WeakPolarHBondContact OD1-CB 3.03Å; D584-L586 PolarHBondContact OD1-N 3.37Å; D584-T587 HydrophobicContact CB-CG2 4.06Å; D584-T587 PolarHBondContact O-N 3.21Å; D584-T587 PolarHBondContact O-OG1 3.33Å; D584-S588 PolarHBondContact O-N 3.47Å; D584-S588 PolarHBondContact O-OG 3.09Å
585	P	96.1	Very high	97	Very high	112 Å²	112	60.3 Å²	60.3	73%	0.727	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-49.5	-36.1	175.7	-28.3	35.8	0	0	0	114	T587 S588	P585-T587 PolarHBondContact O-N 3.38Å; P585-S588 WeakPolarHBondContact O-CB 3.38Å; P585-S588 PolarHBondContact O-N 3.38Å; P585-S588 PolarHBondContact O-OG 2.91Å
586	L	96.5	Very high	96.9	Very high	142 Å²	142	64.8 Å²	64.8	74%	0.743	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-67.3	-22.3	179.3	-61.5	176.7	0	0	0	112.9	D584	D584-L586 PolarHBondContact O-N 3.5Å; D584-L586 VanDerWaalsContact O-N 3.14Å; D584-L586 WeakPolarHBondContact OD1-CB 3.03Å; D584-L586 PolarHBondContact OD1-N 3.37Å
587	T	97	Very high	97	Very high	9 Å²	9	65.4 Å²	65.4	6%	0.055	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-99.7	-5	-179.4	70.2	0	0	0	0	114.1	L579 D584 P585 S589 Y590 L591	L579-T587 HydrophobicContact CD2-CG2 4.23Å; D584-T587 HydrophobicContact CB-CG2 4.06Å; D584-T587 PolarHBondContact O-N 3.21Å; D584-T587 PolarHBondContact O-OG1 3.33Å; P585-T587 PolarHBondContact O-N 3.38Å; T587-S589 PolarHBondContact O-N 3.11Å; T587-Y590 PolarHBondContact O-N 3.05Å; T587-Y590 VanDerWaalsContact O-N 3.11Å; T587-L591 PolarHBondContact O-N 2.71Å
588	S	97.2	Very high	97	Very high	60 Å²	60	62 Å²	62	42%	0.42	36%	0.356	S	S	.	.	H	α-helix	trans	-60.5	-39.8	-171.2	-66.6	0	0	0	0	113.3	D584 P585 Y590 L591 S592	D584-S588 PolarHBondContact O-N 3.47Å; D584-S588 PolarHBondContact O-OG 3.09Å; P585-S588 WeakPolarHBondContact O-CB 3.38Å; P585-S588 PolarHBondContact O-N 3.38Å; P585-S588 PolarHBondContact O-OG 2.91Å; S588-Y590 PolarHBondContact O-N 3.42Å; S588-L591 PolarHBondContact O-N 2.94Å; S588-S592 PolarHBondContact O-N 3.04Å; S588-S592 PolarHBondContact O-OG 3.1Å
589	S	97.8	Very high	97.1	Very high	79 Å²	79	64.4 Å²	64.4	55%	0.552	37%	0.369	S	S	*	.	H	α-helix	trans	-65.1	-39.2	177.6	60.2	0	0	0	0	112.3	T587 S592 K593	T587-S589 PolarHBondContact O-N 3.11Å; S589-S592 PolarHBondContact O-N 3.07Å; S589-K593 WeakPolarHBondContact O-CB 3.42Å; S589-K593 PolarHBondContact O-N 3.28Å
590	Y	98.2	Very high	97.1	Very high	83 Å²	83	66 Å²	66	33%	0.325	38%	0.379	S	S	.	.	H	α-helix	trans	-69.4	-37.7	176.5	-59.9	-75.7	0	0	0	111.9	H522 L525 Y575 T587 S588 K593 A594	H522-Y590 HydrophobicContact CB-CD1 3.89Å; H522-Y590 HydrophobicContact CB-CE1 3.69Å; H522-Y590 HydrophobicContact CB-CE2 4.37Å; H522-Y590 HydrophobicContact CB-CG 4.31Å; H522-Y590 AromaticContact CE1-CD2 3.57Å; H522-Y590 AromaticContact CE1-CG 3.87Å; H522-Y590 AromaticContact CG-CD2 3.91Å; H522-Y590 AromaticContact CG-CE2 3.95Å; H522-Y590 AromaticContact CG-CG 3.96Å; H522-Y590 AromaticContact ND1-CD1 3.68Å; H522-Y590 AromaticContact ND1-CD2 3.3Å; H522-Y590 VanDerWaalsContact ND1-CD2 3.3Å; H522-Y590 WeakPolarHBondContact ND1-CD2 3.44Å; H522-Y590 AromaticContact ND1-CE2 3.81Å; H522-Y590 AromaticContact ND1-CG 3.21Å; L525-Y590 HydrophobicContact CD1-CD1 4.32Å; Y575-Y590 VanDerWaalsContact OH-CB 3.31Å; Y575-Y590 WeakPolarHBondContact OH-CB 3.47Å; T587-Y590 PolarHBondContact O-N 3.05Å; T587-Y590 VanDerWaalsContact O-N 3.11Å; S588-Y590 PolarHBondContact O-N 3.42Å; Y590-K593 PolarHBondContact O-N 3.07Å; Y590-A594 WeakPolarHBondContact O-CB 3.3Å; Y590-A594 PolarHBondContact O-N 3.38Å
591	L	98.5	Very high	97.2	Very high	40 Å²	40	62.5 Å²	62.5	21%	0.209	36%	0.358	C	S	.	.	H	α-helix	trans	-58.8	-52.1	173	173.4	56.6	0	0	0	110.8	V576 L579 V580 T587 S588 K593 A594 Q595	V576-L591 HydrophobicContact CB-CD1 4.33Å; V576-L591 HydrophobicContact CG1-CD1 4.01Å; V576-L591 HydrophobicContact CG2-CD1 4.31Å; L579-L591 HydrophobicContact CB-CB 4.42Å; L579-L591 HydrophobicContact CB-CD1 4.19Å; L579-L591 HydrophobicContact CB-CD2 4.49Å; L579-L591 HydrophobicContact CD1-CB 3.88Å; V580-L591 HydrophobicContact CG2-CD1 3.96Å; V580-L591 HydrophobicContact CG2-CD2 4.17Å; T587-L591 PolarHBondContact O-N 2.71Å; S588-L591 PolarHBondContact O-N 2.94Å; L591-K593 VanDerWaalsContact C-N 3.32Å; L591-K593 PolarHBondContact O-N 3.27Å; L591-A594 PolarHBondContact O-N 3.5Å; L591-Q595 VanDerWaalsContact O-CB 3.28Å; L591-Q595 WeakPolarHBondContact O-CB 3.4Å; L591-Q595 PolarHBondContact O-N 3.14Å
592	S	98.4	Very high	97.4	Very high	82 Å²	82	56.9 Å²	56.9	57%	0.573	33%	0.328	S	S	*	.	H	α-helix	trans	-59	-42.4	177.6	-59.3	0	0	0	0	112.2	S588 S589 N596	S588-S592 PolarHBondContact O-N 3.04Å; S588-S592 PolarHBondContact O-OG 3.1Å; S589-S592 PolarHBondContact O-N 3.07Å; S592-N596 WeakPolarHBondContact O-CB 3.45Å; S592-N596 PolarHBondContact O-N 2.96Å
593	K	98.2	Very high	97.6	Very high	59 Å²	59	56.8 Å²	56.8	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-61.4	-49.1	177.5	-174.7	178.1	-173.7	173.9	0	111.9	L525 D526 S589 Y590 L591 N596 Y597	L525-K593 HydrophobicContact CB-CD 4.4Å; D526-K593 IonicContact OD1-NZ 3.95Å; D526-K593 PolarHBondContact OD1-NZ 2.84Å; S589-K593 WeakPolarHBondContact O-CB 3.42Å; S589-K593 PolarHBondContact O-N 3.28Å; Y590-K593 PolarHBondContact O-N 3.07Å; L591-K593 VanDerWaalsContact C-N 3.32Å; L591-K593 PolarHBondContact O-N 3.27Å; K593-N596 PolarHBondContact O-N 2.93Å; K593-Y597 HydrophobicContact CD-CE2 4.23Å; K593-Y597 WeakPolarHBondContact CE-OH 3.23Å; K593-Y597 HydrophobicContact CG-CD2 4.37Å; K593-Y597 HydrophobicContact CG-CE2 3.59Å; K593-Y597 WeakPolarHBondContact O-CD2 3.43Å; K593-Y597 PolarHBondContact O-N 3.38Å
594	A	98.7	Very high	97.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67.1	-41.3	-179.9	0	0	0	0	0	112.3	L525 Y575 V576 Y590 L591 N596 Y597 L598	L525-A594 HydrophobicContact CD1-CB 4.07Å; L525-A594 HydrophobicContact CD2-CB 3.97Å; Y575-A594 HydrophobicContact CD1-CB 3.58Å; Y575-A594 HydrophobicContact CE1-CB 3.8Å; V576-A594 HydrophobicContact CG2-CB 3.76Å; Y590-A594 WeakPolarHBondContact O-CB 3.3Å; Y590-A594 PolarHBondContact O-N 3.38Å; L591-A594 PolarHBondContact O-N 3.5Å; A594-N596 VanDerWaalsContact C-N 3.33Å; A594-N596 PolarHBondContact O-N 3.28Å; A594-Y597 PolarHBondContact O-N 3.41Å; A594-L598 WeakPolarHBondContact O-CB 3.36Å; A594-L598 PolarHBondContact O-N 2.9Å
595	Q	98.5	Very high	98.1	Very high	64 Å²	64	48.1 Å²	48.1	30%	0.299	27%	0.272	S	S	.	.	H	α-helix	trans	-59.4	-44.5	175.5	-175.7	63.6	58.4	0	0	111	V576 L591 Y597 L598 D599	V576-Q595 HydrophobicContact CG2-CB 4.36Å; L591-Q595 VanDerWaalsContact O-CB 3.28Å; L591-Q595 WeakPolarHBondContact O-CB 3.4Å; L591-Q595 PolarHBondContact O-N 3.14Å; Q595-Y597 PolarHBondContact O-N 3.01Å; Q595-L598 PolarHBondContact O-N 3.38Å; Q595-D599 PolarHBondContact NE2-OD1 3.46Å; Q595-D599 PolarHBondContact NE2-OD2 3.14Å; Q595-D599 WeakPolarHBondContact O-CB 3.43Å; Q595-D599 PolarHBondContact O-N 2.91Å
596	N	98.5	Very high	98.2	Very high	93 Å²	93	43.9 Å²	43.9	50%	0.497	25%	0.245	S	C	.	.	H	α-helix	trans	-60.9	-43.9	176.4	180	55.2	0	0	0	112.7	S592 K593 A594 T600	S592-N596 WeakPolarHBondContact O-CB 3.45Å; S592-N596 PolarHBondContact O-N 2.96Å; K593-N596 PolarHBondContact O-N 2.93Å; A594-N596 VanDerWaalsContact C-N 3.33Å; A594-N596 PolarHBondContact O-N 3.28Å; N596-T600 VanDerWaalsContact O-CB 3.28Å; N596-T600 WeakPolarHBondContact O-CB 3.43Å; N596-T600 PolarHBondContact O-N 3.44Å; N596-T600 PolarHBondContact O-OG1 3.38Å
597	Y	98.7	Very high	98.3	Very high	18 Å²	18	42.3 Å²	42.3	7%	0.071	23%	0.232	C	C	.	.	H	α-helix	trans	-64.8	-39.9	175.7	-62.7	-28.2	0	0	0	112.5	L525 F528 S529 L572 K593 A594 Q595 G601	L525-Y597 HydrophobicContact CB-CE2 4.48Å; L525-Y597 WeakPolarHBondContact O-CE2 3.39Å; F528-Y597 HydrophobicContact CB-CD2 3.55Å; F528-Y597 HydrophobicContact CB-CE2 3.63Å; F528-Y597 HydrophobicContact CB-CG 4.03Å; F528-Y597 HydrophobicContact CG-CD2 4.17Å; S529-Y597 WeakPolarHBondContact CB-OH 3.29Å; S529-Y597 PolarHBondContact OG-OH 3.33Å; L572-Y597 HydrophobicContact CD2-CD2 4.44Å; K593-Y597 HydrophobicContact CD-CE2 4.23Å; K593-Y597 WeakPolarHBondContact CE-OH 3.23Å; K593-Y597 HydrophobicContact CG-CD2 4.37Å; K593-Y597 HydrophobicContact CG-CE2 3.59Å; K593-Y597 WeakPolarHBondContact O-CD2 3.43Å; K593-Y597 PolarHBondContact O-N 3.38Å; A594-Y597 PolarHBondContact O-N 3.41Å; Q595-Y597 PolarHBondContact O-N 3.01Å; Y597-G601 PolarHBondContact O-N 3.41Å
598	L	98.7	Very high	98.4	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-50.6	177.3	179.6	61.4	0	0	0	111.1	L569 L572 Y573 V576 A594 Q595 T600 G601 L602	L569-L598 HydrophobicContact CB-CD1 4.21Å; L569-L598 WeakPolarHBondContact O-CD1 3.36Å; L572-L598 HydrophobicContact CB-CB 4.14Å; L572-L598 HydrophobicContact CB-CD1 4.19Å; Y573-L598 HydrophobicContact CD2-CD2 4.27Å; V576-L598 HydrophobicContact CG2-CD2 4.35Å; A594-L598 WeakPolarHBondContact O-CB 3.36Å; A594-L598 PolarHBondContact O-N 2.9Å; Q595-L598 PolarHBondContact O-N 3.38Å; L598-T600 PolarHBondContact O-N 2.83Å; L598-G601 PolarHBondContact O-N 3.49Å; L598-L602 HydrophobicContact CD1-CD1 3.71Å; L598-L602 HydrophobicContact CD1-CG 3.93Å; L598-L602 HydrophobicContact CG-CD1 3.79Å; L598-L602 HydrophobicContact CG-CG 4.39Å; L598-L602 VanDerWaalsContact O-CB 3.3Å; L598-L602 WeakPolarHBondContact O-CB 3.39Å; L598-L602 WeakPolarHBondContact O-CG 3.27Å; L598-L602 PolarHBondContact O-N 3.12Å
599	D	98.3	Very high	98.4	Very high	58 Å²	58	39.3 Å²	39.3	31%	0.31	21%	0.211	S	C	.	.	H	α-helix	trans	-64.6	-42.3	-178.5	-72.5	-31.3	0	0	0	111.9	Q595 T603	Q595-D599 PolarHBondContact NE2-OD1 3.46Å; Q595-D599 PolarHBondContact NE2-OD2 3.14Å; Q595-D599 WeakPolarHBondContact O-CB 3.43Å; Q595-D599 PolarHBondContact O-N 2.91Å; D599-T603 VanDerWaalsContact O-CB 3.26Å; D599-T603 WeakPolarHBondContact O-CB 3.34Å; D599-T603 PolarHBondContact O-N 2.79Å; D599-T603 PolarHBondContact O-OG1 3.23Å
600	T	98.3	Very high	98.4	Very high	40 Å²	40	39.1 Å²	39.1	25%	0.245	21%	0.208	C	C	.	.	H	α-helix	trans	-65.1	-46.1	176.9	-55.2	0	0	0	0	111.1	V548 N596 L598 T603 S604	V548-T600 HydrophobicContact CB-CG2 3.79Å; V548-T600 HydrophobicContact CG2-CG2 3.58Å; N596-T600 VanDerWaalsContact O-CB 3.28Å; N596-T600 WeakPolarHBondContact O-CB 3.43Å; N596-T600 PolarHBondContact O-N 3.44Å; N596-T600 PolarHBondContact O-OG1 3.38Å; L598-T600 PolarHBondContact O-N 2.83Å; T600-T603 PolarHBondContact O-N 2.89Å; T600-S604 WeakPolarHBondContact O-CB 3.48Å; T600-S604 PolarHBondContact O-N 3.2Å; T600-S604 PolarHBondContact O-OG 2.69Å
601	G	98.6	Very high	98.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.5	-42.4	-178.7	0	0	0	0	0	112.3	F565 Y597 L598 S604 L605	F565-G601 WeakPolarHBondContact CE1-O 3.48Å; F565-G601 VanDerWaalsContact CZ-O 3.3Å; F565-G601 WeakPolarHBondContact CZ-O 3.39Å; Y597-G601 PolarHBondContact O-N 3.41Å; L598-G601 PolarHBondContact O-N 3.49Å; G601-S604 PolarHBondContact O-N 2.84Å; G601-L605 PolarHBondContact O-N 2.94Å
602	L	98.7	Very high	98.4	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-46.6	173.1	-69.4	167.6	0	0	0	110.1	L569 L598 S604 L605 S606 L670 D674 R677	L569-L602 HydrophobicContact CD1-CD2 3.87Å; L569-L602 HydrophobicContact CD1-CG 4.18Å; L598-L602 HydrophobicContact CD1-CD1 3.71Å; L598-L602 HydrophobicContact CD1-CG 3.93Å; L598-L602 HydrophobicContact CG-CD1 3.79Å; L598-L602 HydrophobicContact CG-CG 4.39Å; L598-L602 VanDerWaalsContact O-CB 3.3Å; L598-L602 WeakPolarHBondContact O-CB 3.39Å; L598-L602 WeakPolarHBondContact O-CG 3.27Å; L598-L602 PolarHBondContact O-N 3.12Å; L602-S604 VanDerWaalsContact C-N 3.26Å; L602-S604 PolarHBondContact O-N 3.04Å; L602-L605 WeakPolarHBondContact O-CB 3.29Å; L602-L605 PolarHBondContact O-N 3.23Å; L602-L605 VanDerWaalsContact O-N 3.13Å; L602-S606 PolarHBondContact O-N 2.74Å; L602-L670 HydrophobicContact CD2-CD2 3.81Å; L602-D674 HydrophobicContact CD1-CB 4.14Å; L602-D674 HydrophobicContact CD2-CB 4.29Å; L602-R677 VanDerWaalsContact CB-NH1 3.29Å; L602-R677 PolarHBondContact O-NH1 2.7Å
603	T	98.5	Very high	98.3	Very high	58 Å²	58	34.2 Å²	34.2	36%	0.356	18%	0.181	S	C	.	.	H	α-helix	trans	-55.6	-44.6	179.2	-64.1	0	0	0	0	111.1	D599 T600 S606 K607	D599-T603 VanDerWaalsContact O-CB 3.26Å; D599-T603 WeakPolarHBondContact O-CB 3.34Å; D599-T603 PolarHBondContact O-N 2.79Å; D599-T603 PolarHBondContact O-OG1 3.23Å; T600-T603 PolarHBondContact O-N 2.89Å; T603-S606 WeakPolarHBondContact O-CB 3.48Å; T603-S606 PolarHBondContact O-N 3.35Å; T603-K607 PolarHBondContact O-N 2.79Å; T603-K607 VanDerWaalsContact O-N 3.14Å
604	S	98.6	Very high	98.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-43.3	176.4	-55.7	0	0	0	0	111.8	D546 V548 T600 G601 L602 S606 K607 L608	D546-S604 PolarHBondContact O-OG 3.21Å; V548-S604 PolarHBondContact N-OG 2.91Å; V548-S604 WeakPolarHBondContact O-CB 3.07Å; V548-S604 PolarHBondContact O-OG 2.67Å; V548-S604 VanDerWaalsContact O-OG 3.11Å; T600-S604 WeakPolarHBondContact O-CB 3.48Å; T600-S604 PolarHBondContact O-N 3.2Å; T600-S604 PolarHBondContact O-OG 2.69Å; G601-S604 PolarHBondContact O-N 2.84Å; L602-S604 VanDerWaalsContact C-N 3.26Å; L602-S604 PolarHBondContact O-N 3.04Å; S604-S606 VanDerWaalsContact C-N 3.28Å; S604-S606 PolarHBondContact O-N 3.43Å; S604-K607 PolarHBondContact O-N 2.83Å; S604-L608 VanDerWaalsContact O-CB 3.32Å; S604-L608 WeakPolarHBondContact O-CB 3.36Å; S604-L608 VanDerWaalsContact O-CG 3.28Å; S604-L608 WeakPolarHBondContact O-CG 3.34Å; S604-L608 PolarHBondContact O-N 3.34Å
605	L	98.7	Very high	97.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56.4	-44	173.6	-176.4	56.5	0	0	0	111.4	W549 L562 F565 I566 L569 G601 L602 K607 L608 L609 L670 W681	W549-L605 HydrophobicContact CH2-CD1 4.49Å; L562-L605 HydrophobicContact CD1-CD1 3.73Å; F565-L605 HydrophobicContact CD1-CB 4.41Å; F565-L605 HydrophobicContact CD1-CD1 4.22Å; F565-L605 HydrophobicContact CE1-CB 3.85Å; F565-L605 HydrophobicContact CE1-CD1 4.45Å; I566-L605 HydrophobicContact CD1-CD2 4.32Å; I566-L605 HydrophobicContact CG1-CD1 4.33Å; I566-L605 HydrophobicContact CG1-CD2 3.82Å; L569-L605 HydrophobicContact CD1-CB 4.49Å; L569-L605 HydrophobicContact CD1-CD2 4.17Å; G601-L605 PolarHBondContact O-N 2.94Å; L602-L605 WeakPolarHBondContact O-CB 3.29Å; L602-L605 PolarHBondContact O-N 3.23Å; L602-L605 VanDerWaalsContact O-N 3.13Å; L605-K607 PolarHBondContact O-N 2.91Å; L605-L608 PolarHBondContact O-N 3.06Å; L605-L609 HydrophobicContact CD1-CD1 4.43Å; L605-L609 WeakPolarHBondContact O-CA 3.44Å; L605-L609 WeakPolarHBondContact O-CB 3.48Å; L605-L609 PolarHBondContact O-N 3.39Å; L605-L670 HydrophobicContact CD2-CD1 3.51Å; L605-W681 HydrophobicContact CB-CH2 4.2Å; L605-W681 HydrophobicContact CD2-CH2 4.14Å; L605-W681 HydrophobicContact CG-CH2 3.87Å; L605-W681 HydrophobicContact CG-CZ3 4.17Å
606	S	98.5	Very high	97.7	Very high	23 Å²	23	31.4 Å²	31.4	16%	0.161	18%	0.177	C	C	.	.	H	α-helix	trans	-64	-43.4	-177.1	176.6	0	0	0	0	111.7	L602 T603 S604 R677 Q680	L602-S606 PolarHBondContact O-N 2.74Å; T603-S606 WeakPolarHBondContact O-CB 3.48Å; T603-S606 PolarHBondContact O-N 3.35Å; S604-S606 VanDerWaalsContact C-N 3.28Å; S604-S606 PolarHBondContact O-N 3.43Å; S606-R677 WeakPolarHBondContact OG-CD 3.44Å; S606-Q680 PolarHBondContact O-NE2 2.99Å; S606-Q680 PolarHBondContact OG-OE1 2.75Å
607	K	98.3	Very high	97.6	Very high	109 Å²	109	27 Å²	27	47%	0.474	15%	0.153	S	C	.	.	H	α-helix	trans	-68	-36.8	176.5	-68.2	178.1	176.1	176.5	0	112.6	D546 L547 T603 S604 L605	D546-K607 IonicContact OD2-NZ 3.9Å; D546-K607 PolarHBondContact OD2-NZ 3.06Å; L547-K607 HydrophobicContact CD2-CB 3.95Å; L547-K607 HydrophobicContact CD2-CD 3.52Å; L547-K607 HydrophobicContact CD2-CG 4.39Å; T603-K607 PolarHBondContact O-N 2.79Å; T603-K607 VanDerWaalsContact O-N 3.14Å; S604-K607 PolarHBondContact O-N 2.83Å; L605-K607 PolarHBondContact O-N 2.91Å
608	L	98.3	Very high	97.5	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-95.6	-18.5	-171.9	-62.8	173.7	0	0	0	114.6	F541 L547 W549 S604 L605 P610 L611 F612	F541-L608 HydrophobicContact CB-CD1 3.87Å; F541-L608 HydrophobicContact CB-CD2 4.4Å; F541-L608 HydrophobicContact CD1-CD1 4.44Å; F541-L608 HydrophobicContact CD1-CD2 3.46Å; F541-L608 VanDerWaalsContact CD1-CD2 3.46Å; F541-L608 HydrophobicContact CD2-CD1 4.23Å; F541-L608 HydrophobicContact CD2-CD2 4.26Å; F541-L608 HydrophobicContact CE1-CD2 3.65Å; F541-L608 HydrophobicContact CE2-CD2 4.45Å; F541-L608 HydrophobicContact CG-CD1 3.93Å; F541-L608 HydrophobicContact CG-CD2 3.78Å; F541-L608 HydrophobicContact CZ-CD2 4.16Å; L547-L608 HydrophobicContact CD1-CD2 4.3Å; L547-L608 HydrophobicContact CD2-CG 4.48Å; W549-L608 HydrophobicContact CE3-CD1 3.74Å; W549-L608 HydrophobicContact CZ3-CB 4.26Å; W549-L608 HydrophobicContact CZ3-CD1 3.9Å; S604-L608 VanDerWaalsContact O-CB 3.32Å; S604-L608 WeakPolarHBondContact O-CB 3.36Å; S604-L608 VanDerWaalsContact O-CG 3.28Å; S604-L608 WeakPolarHBondContact O-CG 3.34Å; S604-L608 PolarHBondContact O-N 3.34Å; L605-L608 PolarHBondContact O-N 3.06Å; L608-P610 VanDerWaalsContact C-N 3.3Å; L608-L611 HydrophobicContact CD2-CD1 3.84Å; L608-L611 VanDerWaalsContact O-CB 3.3Å; L608-L611 WeakPolarHBondContact O-CB 3.44Å; L608-L611 PolarHBondContact O-N 3.01Å; L608-F612 WeakPolarHBondContact O-CD2 3.14Å
609	L	98.5	Very high	97.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-52.2	-39.3	-178.4	-176.7	64.8	0	0	0	113.5	L562 L605 L611 F612 L667 W681 T684 W688	L562-L609 HydrophobicContact CD1-CD1 4.33Å; L562-L609 HydrophobicContact CD2-CD1 4.43Å; L605-L609 HydrophobicContact CD1-CD1 4.43Å; L605-L609 WeakPolarHBondContact O-CA 3.44Å; L605-L609 WeakPolarHBondContact O-CB 3.48Å; L605-L609 PolarHBondContact O-N 3.39Å; L609-L611 PolarHBondContact O-N 3.03Å; L609-L611 VanDerWaalsContact O-N 3.17Å; L609-F612 WeakPolarHBondContact O-CB 3.32Å; L609-F612 PolarHBondContact O-N 3.33Å; L609-L667 HydrophobicContact CD1-CD2 4.1Å; L609-L667 HydrophobicContact CD2-CD1 4.38Å; L609-L667 HydrophobicContact CD2-CD2 3.69Å; L609-W681 HydrophobicContact CB-CZ3 4.26Å; L609-W681 HydrophobicContact CD2-CE3 3.5Å; L609-W681 HydrophobicContact CD2-CZ3 3.44Å; L609-W681 VanDerWaalsContact CD2-CZ3 3.44Å; L609-W681 HydrophobicContact CG-CZ3 4.45Å; L609-T684 HydrophobicContact CD2-CG2 3.93Å; L609-T684 HydrophobicContact CG-CG2 4.2Å; L609-W688 HydrophobicContact CD1-CH2 3.7Å; L609-W688 HydrophobicContact CD1-CZ2 4.31Å; L609-W688 HydrophobicContact CD1-CZ3 4.43Å
610	P	97.5	Very high	97.4	Very high	75 Å²	75	25.7 Å²	25.7	49%	0.487	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-56.1	-30.4	175.7	-27.4	36.9	0	0	0	114.1	L608 F612 D613	L608-P610 VanDerWaalsContact C-N 3.3Å; P610-F612 PolarHBondContact O-N 3Å; P610-D613 WeakPolarHBondContact O-CB 3.26Å; P610-D613 PolarHBondContact O-N 3.24Å; P610-D613 VanDerWaalsContact O-N 3.15Å
611	L	97.2	Very high	97.3	Very high	73 Å²	73	23.8 Å²	23.8	38%	0.382	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-69.7	-17.7	178.1	-58.4	179	0	0	0	113.2	F541 L608 L609 D613 F619 L622 L625	F541-L611 HydrophobicContact CE1-CD1 3.9Å; F541-L611 HydrophobicContact CE2-CD1 4.33Å; F541-L611 HydrophobicContact CZ-CD1 3.53Å; L608-L611 HydrophobicContact CD2-CD1 3.84Å; L608-L611 VanDerWaalsContact O-CB 3.3Å; L608-L611 WeakPolarHBondContact O-CB 3.44Å; L608-L611 PolarHBondContact O-N 3.01Å; L609-L611 PolarHBondContact O-N 3.03Å; L609-L611 VanDerWaalsContact O-N 3.17Å; L611-D613 VanDerWaalsContact C-N 3.33Å; L611-F619 WeakPolarHBondContact O-CD2 3.23Å; L611-L622 HydrophobicContact CB-CD1 4.03Å; L611-L622 HydrophobicContact CB-CD2 3.99Å; L611-L622 HydrophobicContact CD1-CD1 4.1Å; L611-L622 WeakPolarHBondContact O-CD2 3.4Å; L611-L625 HydrophobicContact CD1-CD1 4.19Å
612	F	98.3	Very high	97.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-87.7	-3.6	175.6	-68.5	-90.2	0	0	0	112.8	W549 H560 L562 L608 L609 P610 S618 F619 L622 W688	W549-F612 AromaticContact CH2-CE2 3.49Å; W549-F612 HydrophobicContact CH2-CE2 3.49Å; W549-F612 VanDerWaalsContact CH2-CE2 3.49Å; W549-F612 AromaticContact CH2-CZ 3.36Å; W549-F612 HydrophobicContact CH2-CZ 3.36Å; W549-F612 HydrophobicContact CZ2-CE2 4.36Å; W549-F612 AromaticContact CZ2-CZ 3.78Å; W549-F612 HydrophobicContact CZ2-CZ 3.78Å; W549-F612 HydrophobicContact CZ3-CE2 4.02Å; W549-F612 HydrophobicContact CZ3-CZ 4.21Å; H560-F612 WeakPolarHBondContact O-CE1 3.36Å; H560-F612 WeakPolarHBondContact O-CZ 3.49Å; L562-F612 HydrophobicContact CB-CD1 3.73Å; L562-F612 HydrophobicContact CB-CE1 3.56Å; L562-F612 HydrophobicContact CB-CG 4.42Å; L562-F612 HydrophobicContact CB-CZ 4.14Å; L562-F612 HydrophobicContact CD1-CD1 4.26Å; L562-F612 HydrophobicContact CD1-CD2 4.05Å; L562-F612 HydrophobicContact CD1-CE1 4.24Å; L562-F612 HydrophobicContact CD1-CE2 4.03Å; L562-F612 HydrophobicContact CD1-CG 4.15Å; L562-F612 HydrophobicContact CD1-CZ 4.11Å; L562-F612 HydrophobicContact CD2-CB 4.01Å; L562-F612 HydrophobicContact CD2-CD1 3.92Å; L562-F612 HydrophobicContact CD2-CG 3.93Å; L562-F612 HydrophobicContact CG-CD1 4.18Å; L562-F612 HydrophobicContact CG-CE1 4.31Å; L562-F612 HydrophobicContact CG-CG 4.4Å; L608-F612 WeakPolarHBondContact O-CD2 3.14Å; L609-F612 WeakPolarHBondContact O-CB 3.32Å; L609-F612 PolarHBondContact O-N 3.33Å; P610-F612 PolarHBondContact O-N 3Å; F612-S618 CarbonylContact O-C 3.55Å; F612-S618 WeakPolarHBondContact O-CA 3.43Å; F612-S618 WeakPolarHBondContact O-CB 3.43Å; F612-F619 HydrophobicContact CD1-CB 4.36Å; F612-F619 PolarHBondContact O-N 3.24Å; F612-L622 HydrophobicContact CD1-CD2 3.91Å; F612-L622 HydrophobicContact CD1-CG 4.22Å; F612-L622 HydrophobicContact CD2-CD1 4.26Å; F612-L622 HydrophobicContact CD2-CD2 4.23Å; F612-L622 HydrophobicContact CD2-CG 4.4Å; F612-L622 HydrophobicContact CE1-CD1 4.31Å; F612-L622 HydrophobicContact CE1-CD2 3.85Å; F612-L622 HydrophobicContact CE1-CG 3.63Å; F612-L622 HydrophobicContact CE2-CD1 3.58Å; F612-L622 HydrophobicContact CE2-CD2 4.18Å; F612-L622 HydrophobicContact CE2-CG 3.84Å; F612-L622 HydrophobicContact CG-CD2 4.12Å; F612-L622 HydrophobicContact CZ-CD1 3.62Å; F612-L622 HydrophobicContact CZ-CD2 4.01Å; F612-L622 HydrophobicContact CZ-CG 3.44Å; F612-L622 VanDerWaalsContact CZ-CG 3.44Å; F612-W688 HydrophobicContact CB-CH2 4.1Å; F612-W688 HydrophobicContact CB-CZ2 4.2Å
613	D	97.1	Very high	96.7	Very high	29 Å²	29	24.9 Å²	24.9	16%	0.155	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-86.6	121.4	176.3	-159.6	-41.6	0	0	0	110.4	P610 L611 G615 R687 W688 Y691	P610-D613 WeakPolarHBondContact O-CB 3.26Å; P610-D613 PolarHBondContact O-N 3.24Å; P610-D613 VanDerWaalsContact O-N 3.15Å; L611-D613 VanDerWaalsContact C-N 3.33Å; D613-G615 PolarHBondContact OD1-N 2.88Å; D613-R687 IonicContact OD2-CZ 2.62Å; D613-R687 IonicContact OD2-NE 2.77Å; D613-R687 PolarHBondContact OD2-NE 2.74Å; D613-R687 IonicContact OD2-NH2 3.7Å; D613-R687 PolarHBondContact OD2-NH2 2.79Å; D613-W688 HydrophobicContact CB-CZ2 4.44Å; D613-W688 VanDerWaalsContact CG-NE1 3.31Å; D613-W688 PolarHBondContact OD2-NE1 3.21Å; D613-Y691 WeakPolarHBondContact OD1-CE2 3.37Å; D613-Y691 PolarHBondContact OD1-OH 3.38Å
614	S	94.5	Very high	96.2	Very high	32 Å²	32	23.3 Å²	23.3	22%	0.224	13%	0.125	C	C	.	.			trans	-98.8	6	178.9	85.5	0	0	0	0	113.5	S616 G617	S614-S616 PolarHBondContact O-N 2.75Å; S614-S616 VanDerWaalsContact O-N 3.14Å; S614-G617 PolarHBondContact N-O 3.12Å; S614-G617 PolarHBondContact OG-N 3.5Å; S614-G617 PolarHBondContact OG-O 2.86Å
615	G	94.6	Very high	95.7	Very high	9 Å²	9	26.2 Å²	26.2	9%	0.093	14%	0.14	C	C	.	.	S	Bend	trans	71.3	1.2	-174	0	0	0	0	0	115.2	D613 Y691 R696 S697	D613-G615 PolarHBondContact OD1-N 2.88Å; G615-Y691 WeakPolarHBondContact CA-OH 3.43Å; G615-R696 CarbonylContact O-C 3.59Å; G615-R696 VanDerWaalsContact O-CA 3.28Å; G615-R696 WeakPolarHBondContact O-CA 3.46Å; G615-S697 WeakPolarHBondContact CA-OG 3.39Å; G615-S697 PolarHBondContact O-N 2.93Å; G615-S697 PolarHBondContact O-OG 3.15Å
616	S	93.7	Very high	94.8	Very high	23 Å²	23	27.1 Å²	27.1	16%	0.161	15%	0.147	C	C	.	.	S	Bend	trans	-154.8	12.3	179.7	53.6	0	0	0	0	112.4	S614 R654	S614-S616 PolarHBondContact O-N 2.75Å; S614-S616 VanDerWaalsContact O-N 3.14Å; S616-R654 PolarHBondContact O-NH2 3.2Å
617	G	95.6	Very high	93.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	163.7	-171	-174.3	0	0	0	0	0	109.1	S614	S614-G617 PolarHBondContact N-O 3.12Å; S614-G617 PolarHBondContact OG-N 3.5Å; S614-G617 PolarHBondContact OG-O 2.86Å
618	S	97.8	Very high	91.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-110.4	151.7	170.1	53.6	0	0	0	0	111.3	F612 A655 H660 H663	F612-S618 CarbonylContact O-C 3.55Å; F612-S618 WeakPolarHBondContact O-CA 3.43Å; F612-S618 WeakPolarHBondContact O-CB 3.43Å; S618-A655 WeakPolarHBondContact O-CB 3.19Å; S618-A655 PolarHBondContact O-N 2.96Å; S618-H660 PolarHBondContact N-CE1 3.39Å; S618-H660 VanDerWaalsContact N-CE1 3.35Å; S618-H660 PolarHBondContact N-ND1 2.89Å; S618-H660 PolarHBondContact OG-ND1 3.24Å; S618-H663 PolarHBondContact OG-ND1 2.68Å
619	F	97.9	Very high	89.9	Confident	31 Å²	31	31 Å²	31	14%	0.136	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-74.4	144.9	164.3	-62.9	-54.1	0	0	0	110.1	L611 F612 P652 R654 H663	L611-F619 WeakPolarHBondContact O-CD2 3.23Å; F612-F619 HydrophobicContact CD1-CB 4.36Å; F612-F619 PolarHBondContact O-N 3.24Å; F619-P652 HydrophobicContact CD1-CB 3.77Å; F619-P652 HydrophobicContact CE1-CB 3.25Å; F619-P652 HydrophobicContact CE1-CG 4.3Å; F619-P652 HydrophobicContact CZ-CB 3.68Å; F619-P652 HydrophobicContact CZ-CG 4.33Å; F619-R654 HydrophobicContact CD1-CB 4.37Å; F619-H663 PolarHBondContact O-CE1 3.45Å
620	Y	97.4	Very high	87.9	Confident	26 Å²	26	34.4 Å²	34.4	10%	0.102	19%	0.192	C	C	.	.	S	Bend	trans	-73.2	-36.2	172.7	-176.7	-107.2	0	0	0	111.3	I561 L562 N563 N653 Y659	I561-Y620 HydrophobicContact CD1-CE1 4.01Å; I561-Y620 HydrophobicContact CG1-CD1 4.5Å; I561-Y620 HydrophobicContact CG1-CE1 4.01Å; I561-Y620 HydrophobicContact CG2-CE1 3.92Å; I561-Y620 HydrophobicContact CG2-CE2 4.2Å; L562-Y620 PolarHBondContact N-O 3Å; L562-Y620 VanDerWaalsContact N-O 3.08Å; N563-Y620 WeakPolarHBondContact OD1-CE2 3.48Å; Y620-N653 WeakPolarHBondContact CB-O 3.46Å; Y620-N653 WeakPolarHBondContact CD1-ND2 3.39Å; Y620-N653 PolarHBondContact N-O 3.11Å; Y620-Y659 AromaticContact CD2-CD1 3.93Å; Y620-Y659 HydrophobicContact CD2-CD1 3.93Å; Y620-Y659 HydrophobicContact CD2-CD2 4.28Å; Y620-Y659 HydrophobicContact CD2-CE1 4.36Å; Y620-Y659 AromaticContact CD2-CG 3.88Å; Y620-Y659 HydrophobicContact CD2-CG 3.88Å; Y620-Y659 AromaticContact CE2-CD1 3.49Å; Y620-Y659 HydrophobicContact CE2-CD1 3.49Å; Y620-Y659 VanDerWaalsContact CE2-CD1 3.49Å; Y620-Y659 HydrophobicContact CE2-CD2 4.21Å; Y620-Y659 AromaticContact CE2-CE1 3.51Å; Y620-Y659 HydrophobicContact CE2-CE1 3.51Å; Y620-Y659 HydrophobicContact CE2-CE2 4.21Å; Y620-Y659 AromaticContact CE2-CG 3.85Å; Y620-Y659 HydrophobicContact CE2-CG 3.85Å; Y620-Y659 AromaticContact CE2-CZ 3.87Å
621	D	96	Very high	86	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-156.9	169.2	-177.4	64.6	60.9	0	0	0	111.7	I559 H560 I561 R623 N653	I559-D621 WeakPolarHBondContact O-CB 3.46Å; H560-D621 WeakPolarHBondContact O-CA 3.2Å; I561-D621 HydrophobicContact CB-CB 4.42Å; I561-D621 HydrophobicContact CG1-CB 3.79Å; D621-R623 VanDerWaalsContact OD1-CB 3.29Å; D621-R623 WeakPolarHBondContact OD1-CB 3.28Å; D621-R623 WeakPolarHBondContact OD1-CD 3.28Å; D621-R623 WeakPolarHBondContact OD1-CG 3.33Å; D621-R623 IonicContact OD1-CZ 2.72Å; D621-R623 PolarHBondContact OD1-N 2.9Å; D621-R623 VanDerWaalsContact OD1-N 3.11Å; D621-R623 IonicContact OD1-NE 2.73Å; D621-R623 PolarHBondContact OD1-NE 3.31Å; D621-R623 IonicContact OD2-CZ 3.72Å; D621-R623 IonicContact OD2-NE 3.99Å; D621-R623 PolarHBondContact OD2-NE 3.11Å; D621-R623 IonicContact OD2-NH2 3.88Å; D621-R623 PolarHBondContact OD2-NH2 3.01Å; D621-N653 PolarHBondContact OD2-ND2 2.99Å
622	L	94.9	Very high	84	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.01	21%	0.21	C	C	.	.			trans	-104.2	25.3	179.9	-55.4	-179.3	0	0	0	113.2	F541 I559 H560 L611 F612 H624 L625	F541-L622 HydrophobicContact CD2-CD1 4.43Å; F541-L622 HydrophobicContact CE2-CD1 3.67Å; F541-L622 HydrophobicContact CZ-CD1 4.28Å; I559-L622 CarbonylContact O-C 3.57Å; I559-L622 PolarHBondContact O-N 2.77Å; H560-L622 HydrophobicContact CB-CB 4.13Å; H560-L622 HydrophobicContact CB-CD1 4.41Å; H560-L622 HydrophobicContact CB-CG 4.36Å; H560-L622 PolarHBondContact O-N 3.36Å; L611-L622 HydrophobicContact CB-CD1 4.03Å; L611-L622 HydrophobicContact CB-CD2 3.99Å; L611-L622 HydrophobicContact CD1-CD1 4.1Å; L611-L622 WeakPolarHBondContact O-CD2 3.4Å; F612-L622 HydrophobicContact CD1-CD2 3.91Å; F612-L622 HydrophobicContact CD1-CG 4.22Å; F612-L622 HydrophobicContact CD2-CD1 4.26Å; F612-L622 HydrophobicContact CD2-CD2 4.23Å; F612-L622 HydrophobicContact CD2-CG 4.4Å; F612-L622 HydrophobicContact CE1-CD1 4.31Å; F612-L622 HydrophobicContact CE1-CD2 3.85Å; F612-L622 HydrophobicContact CE1-CG 3.63Å; F612-L622 HydrophobicContact CE2-CD1 3.58Å; F612-L622 HydrophobicContact CE2-CD2 4.18Å; F612-L622 HydrophobicContact CE2-CG 3.84Å; F612-L622 HydrophobicContact CG-CD2 4.12Å; F612-L622 HydrophobicContact CZ-CD1 3.62Å; F612-L622 HydrophobicContact CZ-CD2 4.01Å; F612-L622 HydrophobicContact CZ-CG 3.44Å; F612-L622 VanDerWaalsContact CZ-CG 3.44Å; L622-H624 PolarHBondContact O-N 2.99Å; L622-L625 HydrophobicContact CB-CD1 4Å; L622-L625 HydrophobicContact CB-CG 4.34Å; L622-L625 HydrophobicContact CD1-CD1 4.2Å; L622-L625 HydrophobicContact CD2-CD1 4.38Å; L622-L625 HydrophobicContact CG-CD1 4.41Å; L622-L625 PolarHBondContact O-N 3.37Å; L622-L625 VanDerWaalsContact O-N 3.08Å
623	R	89.4	Confident	81.9	Confident	26 Å²	26	43.7 Å²	43.7	10%	0.098	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-59.3	-22	-177.3	77.1	-176	57.5	-171.3	-6.9	114.2	R485 I559 D621 L625 S626 Y629	R485-R623 PolarHBondContact NH2-O 3.48Å; I559-R623 HydrophobicContact CB-CB 4Å; I559-R623 HydrophobicContact CG2-CB 3.79Å; I559-R623 PolarHBondContact O-N 2.92Å; D621-R623 VanDerWaalsContact OD1-CB 3.29Å; D621-R623 WeakPolarHBondContact OD1-CB 3.28Å; D621-R623 WeakPolarHBondContact OD1-CD 3.28Å; D621-R623 WeakPolarHBondContact OD1-CG 3.33Å; D621-R623 IonicContact OD1-CZ 2.72Å; D621-R623 PolarHBondContact OD1-N 2.9Å; D621-R623 VanDerWaalsContact OD1-N 3.11Å; D621-R623 IonicContact OD1-NE 2.73Å; D621-R623 PolarHBondContact OD1-NE 3.31Å; D621-R623 IonicContact OD2-CZ 3.72Å; D621-R623 IonicContact OD2-NE 3.99Å; D621-R623 PolarHBondContact OD2-NE 3.11Å; D621-R623 IonicContact OD2-NH2 3.88Å; D621-R623 PolarHBondContact OD2-NH2 3.01Å; R623-L625 VanDerWaalsContact C-N 3.28Å; R623-S626 PolarHBondContact O-N 3.22Å; R623-Y629 VanDerWaalsContact CD-OH 3.28Å; R623-Y629 WeakPolarHBondContact CD-OH 3.46Å; R623-Y629 HydrophobicContact CG-CD1 4.29Å; R623-Y629 HydrophobicContact CG-CD2 4.49Å; R623-Y629 HydrophobicContact CG-CE1 3.78Å; R623-Y629 HydrophobicContact CG-CE2 4.03Å; R623-Y629 WeakPolarHBondContact O-CB 3.45Å
624	H	87.4	Confident	79.9	Confident	26 Å²	26	44.2 Å²	44.2	12%	0.12	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-75.2	-14.3	-178.1	64.4	-84.5	0	0	0	113.4	L622 S626 Y629 N630 P652	L622-H624 PolarHBondContact O-N 2.99Å; H624-S626 VanDerWaalsContact C-N 3.3Å; H624-Y629 HydrophobicContact CB-CD1 4.5Å; H624-Y629 HydrophobicContact CB-CE1 4.37Å; H624-N630 PolarHBondContact O-ND2 3.49Å; H624-N630 PolarHBondContact O-OD1 3.1Å; H624-P652 HydrophobicContact CB-CB 4.41Å; H624-P652 HydrophobicContact CB-CG 4.3Å
625	L	88.5	Confident	77.8	Confident	60 Å²	60	52.3 Å²	52.3	31%	0.314	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-83.3	-6.5	174.8	-57.8	-177.2	0	0	0	112.9	F541 F542 L611 L622 R623	F541-L625 HydrophobicContact CE2-CD1 4.04Å; F541-L625 HydrophobicContact CZ-CD1 3.68Å; F542-L625 HydrophobicContact CZ-CB 4.41Å; L611-L625 HydrophobicContact CD1-CD1 4.19Å; L622-L625 HydrophobicContact CB-CD1 4Å; L622-L625 HydrophobicContact CB-CG 4.34Å; L622-L625 HydrophobicContact CD1-CD1 4.2Å; L622-L625 HydrophobicContact CD2-CD1 4.38Å; L622-L625 HydrophobicContact CG-CD1 4.41Å; L622-L625 PolarHBondContact O-N 3.37Å; L622-L625 VanDerWaalsContact O-N 3.08Å; R623-L625 VanDerWaalsContact C-N 3.28Å
626	S	79	Confident	75.5	Confident	19 Å²	19	56.3 Å²	56.3	13%	0.133	29%	0.291	C	S	.	.			trans	-87.8	124	175.7	175	0	0	0	0	110.3	P557 R623 H624 D628 Y629	P557-S626 WeakPolarHBondContact CG-OG 3.14Å; R623-S626 PolarHBondContact O-N 3.22Å; H624-S626 VanDerWaalsContact C-N 3.3Å; S626-D628 PolarHBondContact O-N 2.88Å; S626-Y629 WeakPolarHBondContact O-CB 3.45Å; S626-Y629 PolarHBondContact O-N 2.96Å
627	T	68.1	Low	73.2	Confident	106 Å²	106	60.4 Å²	60.4	65%	0.65	32%	0.32	S	S	*	.	H	α-helix	trans	-56.7	-37.9	176	47.6	0	0	0	0	112.5	Y629 N630	T627-Y629 PolarHBondContact O-N 3.34Å; T627-Y629 VanDerWaalsContact O-N 3.1Å; T627-N630 PolarHBondContact O-N 3.38Å
628	D	62.8	Low	70.6	Confident	93 Å²	93	72.3 Å²	72.3	50%	0.497	37%	0.365	S	S	.	.	H	α-helix	trans	-57.9	-24.2	176.8	-63.1	-27.6	0	0	0	113.3	P557 S626	P557-D628 HydrophobicContact CG-CB 4.05Å; P557-D628 WeakPolarHBondContact CG-OD2 3.39Å; S626-D628 PolarHBondContact O-N 2.88Å
629	Y	61.2	Low	68	Low	21 Å²	21	75.5 Å²	75.5	8%	0.082	39%	0.387	C	S	.	.	H	α-helix	trans	-84.4	-39.1	-179.3	-176.5	-110.2	0	0	0	112.9	R623 H624 S626 T627 N631 T650	R623-Y629 VanDerWaalsContact CD-OH 3.28Å; R623-Y629 WeakPolarHBondContact CD-OH 3.46Å; R623-Y629 HydrophobicContact CG-CD1 4.29Å; R623-Y629 HydrophobicContact CG-CD2 4.49Å; R623-Y629 HydrophobicContact CG-CE1 3.78Å; R623-Y629 HydrophobicContact CG-CE2 4.03Å; R623-Y629 WeakPolarHBondContact O-CB 3.45Å; H624-Y629 HydrophobicContact CB-CD1 4.5Å; H624-Y629 HydrophobicContact CB-CE1 4.37Å; S626-Y629 WeakPolarHBondContact O-CB 3.45Å; S626-Y629 PolarHBondContact O-N 2.96Å; T627-Y629 PolarHBondContact O-N 3.34Å; T627-Y629 VanDerWaalsContact O-N 3.1Å; Y629-N631 VanDerWaalsContact C-N 3.29Å; Y629-N631 PolarHBondContact O-N 2.9Å; Y629-T650 WeakPolarHBondContact CD1-OG1 3.48Å; Y629-T650 HydrophobicContact CE1-CG2 4.45Å; Y629-T650 WeakPolarHBondContact CE1-O 3.3Å; Y629-T650 WeakPolarHBondContact CE1-OG1 3.39Å; Y629-T650 HydrophobicContact CE2-CG2 4.03Å; Y629-T650 PolarHBondContact O-OG1 2.83Å; Y629-T650 WeakPolarHBondContact OH-CB 3.22Å
630	N	57.7	Low	65.7	Low	72 Å²	72	77.9 Å²	77.9	39%	0.385	41%	0.413	S	S	.	.	H	α-helix	trans	-72.1	-19.8	-167.6	-69.8	-23.8	0	0	0	114	H624 T627 Q632	H624-N630 PolarHBondContact O-ND2 3.49Å; H624-N630 PolarHBondContact O-OD1 3.1Å; T627-N630 PolarHBondContact O-N 3.38Å; N630-Q632 PolarHBondContact O-N 2.73Å
631	N	57.1	Low	63.3	Low	140 Å²	140	86.1 Å²	86.1	75%	0.749	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	13.4	-173.8	-67.8	-16.4	0	0	0	115	Y629	Y629-N631 VanDerWaalsContact C-N 3.29Å; Y629-N631 PolarHBondContact O-N 2.9Å
632	Q	55.9	Low	61	Low	106 Å²	106	90 Å²	90	50%	0.495	47%	0.473	S	S	.	.	S	Bend	trans	-108.1	127.9	-176.2	-66.8	-68.4	-23.7	0	0	112.7	N630 V634	N630-Q632 PolarHBondContact O-N 2.73Å; Q632-V634 PolarHBondContact O-N 3.13Å
633	P	54.4	Low	58.5	Low	96 Å²	96	100.6 Å²	100.6	62%	0.623	51%	0.513	S	S	*	.			trans	-65.3	128.4	173.3	-3	11.1	0	0	0	111.2	K635	P633-K635 PolarHBondContact O-N 2.91Å
634	V	54.4	Low	56.3	Low	41 Å²	41	105.7 Å²	105.7	25%	0.248	54%	0.542	C	S	.	.			trans	-70	114.5	171.1	179.1	0	0	0	0	108.7	Q632 Q636 Q647 L648 T650	Q632-V634 PolarHBondContact O-N 3.13Å; V634-Q636 PolarHBondContact O-N 3.35Å; V634-Q647 PolarHBondContact O-NE2 3.25Å; V634-L648 VanDerWaalsContact CG2-O 3.29Å; V634-L648 WeakPolarHBondContact CG2-O 3.26Å; V634-T650 HydrophobicContact CG2-CG2 3.43Å; V634-T650 VanDerWaalsContact CG2-CG2 3.43Å
635	K	49.8	Very low	54.3	Low	201 Å²	201	110.6 Å²	110.6	87%	0.874	57%	0.568	S	S	*	*			trans	-65.2	102.1	164.9	-72.7	-174.8	179.1	179.8	0	108.2	P633	P633-K635 PolarHBondContact O-N 2.91Å
636	Q	47	Very low	52.2	Low	94 Å²	94	116.7 Å²	116.7	44%	0.439	59%	0.593	S	S	.	*			trans	-63.3	142.4	171.1	-77.8	-173.4	6	0	0	110.2	V634 R638	V634-Q636 PolarHBondContact O-N 3.35Å; Q636-R638 PolarHBondContact O-N 2.97Å
637	S	44.2	Very low	50.3	Low	108 Å²	108	121.7 Å²	121.7	76%	0.755	61%	0.614	S	S	*	*			trans	-57.4	130.7	163.2	-177.4	0	0	0	0	108.5	S639	S637-S639 PolarHBondContact O-N 3.35Å
638	R	41.4	Very low	49.3	Very low	251 Å²	251	123 Å²	123	95%	0.947	62%	0.616	S	S	*	*			trans	-67.4	68.1	176.7	-71.4	179.5	168.9	162.6	-4.4	110.8	Q636	Q636-R638 PolarHBondContact O-N 2.97Å
639	S	43.9	Very low	48.9	Very low	66 Å²	66	122.1 Å²	122.1	46%	0.462	62%	0.617	S	S	.	*			trans	-83.6	113.6	156.6	178.2	0	0	0	0	106.9	S637 F641 T642	S637-S639 PolarHBondContact O-N 3.35Å; S639-F641 PolarHBondContact O-N 3.34Å; S639-T642 PolarHBondContact O-N 3.41Å; S639-T642 PolarHBondContact O-OG1 2.67Å
640	A	49.8	Very low	49	Very low	82 Å²	82	121.9 Å²	121.9	68%	0.678	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-13.5	178.1	0	0	0	0	0	113.2
641	F	46.9	Very low	49.9	Very low	199 Å²	199	120.1 Å²	120.1	87%	0.873	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-4.2	-174.3	-111.3	-88.1	0	0	0	115.5	S639	S639-F641 PolarHBondContact O-N 3.34Å
642	T	46.6	Very low	51.4	Low	81 Å²	81	116.9 Å²	116.9	50%	0.497	60%	0.604	S	S	.	*			trans	-114.8	69	175.4	49.6	0	0	0	0	109.9	S639	S639-T642 PolarHBondContact O-N 3.41Å; S639-T642 PolarHBondContact O-OG1 2.67Å
643	R	44.3	Very low	53.1	Low	225 Å²	225	114.4 Å²	114.4	85%	0.849	59%	0.594	S	S	*	*			trans	-81.5	-18.4	177.5	-88.2	-174.5	172.8	155.9	-2.2	114.5
644	N	41.9	Very low	54.9	Low	133 Å²	133	114.4 Å²	114.4	71%	0.711	58%	0.581	S	S	*	*	S	Bend	trans	-129.4	58.6	-171.8	-73.1	-5.3	0	0	0	113.7
645	L	46.3	Very low	56.8	Low	128 Å²	128	112.8 Å²	112.8	67%	0.67	57%	0.572	S	S	*	*	S	Bend	trans	-138.5	121.1	163.9	-142.1	73.6	0	0	0	108.2	Q647	L645-Q647 PolarHBondContact O-N 2.93Å
646	F	43.7	Very low	58.9	Low	188 Å²	188	112.5 Å²	112.5	83%	0.825	57%	0.566	S	S	*	*			trans	-15.9	124	171.3	-70.9	-94.8	0	0	0	112.1	L648	F646-L648 PolarHBondContact O-N 2.76Å
647	Q	40.1	Very low	61.2	Low	124 Å²	124	108.9 Å²	108.9	58%	0.579	55%	0.548	S	S	*	.			trans	-66.1	84.7	169	-167.5	172.8	21.2	0	0	107	V634 L645 S649	V634-Q647 PolarHBondContact O-NE2 3.25Å; L645-Q647 PolarHBondContact O-N 2.93Å; Q647-S649 PolarHBondContact O-N 2.94Å
648	L	46.3	Very low	63.6	Low	133 Å²	133	107 Å²	107	70%	0.696	54%	0.535	S	S	*	.			trans	-54.5	116.4	172.9	-78	160.3	0	0	0	105.6	V634 F646	V634-L648 VanDerWaalsContact CG2-O 3.29Å; V634-L648 WeakPolarHBondContact CG2-O 3.26Å; F646-L648 PolarHBondContact O-N 2.76Å
649	S	53.4	Low	66.2	Low	75 Å²	75	99 Å²	99	52%	0.524	51%	0.505	S	S	.	.			trans	-56.1	164.1	163.8	58	0	0	0	0	108.3	Q647 G651	Q647-S649 PolarHBondContact O-N 2.94Å; S649-G651 PolarHBondContact O-N 3.31Å
650	T	64.6	Low	68.8	Low	17 Å²	17	95.9 Å²	95.9	10%	0.104	48%	0.483	C	S	.	.	S	Bend	trans	-61.1	101.3	177.8	51.6	0	0	0	0	110.4	Y629 V634	Y629-T650 WeakPolarHBondContact CD1-OG1 3.48Å; Y629-T650 HydrophobicContact CE1-CG2 4.45Å; Y629-T650 WeakPolarHBondContact CE1-O 3.3Å; Y629-T650 WeakPolarHBondContact CE1-OG1 3.39Å; Y629-T650 HydrophobicContact CE2-CG2 4.03Å; Y629-T650 PolarHBondContact O-OG1 2.83Å; Y629-T650 WeakPolarHBondContact OH-CB 3.22Å; V634-T650 HydrophobicContact CG2-CG2 3.43Å; V634-T650 VanDerWaalsContact CG2-CG2 3.43Å
651	G	77	Confident	71	Confident	34 Å²	34	92.5 Å²	92.5	35%	0.351	46%	0.455	S	S	.	.			trans	-90.2	-173.1	-179.4	0	0	0	0	0	114	S649 N653	S649-G651 PolarHBondContact O-N 3.31Å; G651-N653 PolarHBondContact O-N 2.93Å
652	P	88.3	Confident	73.3	Confident	73 Å²	73	84.5 Å²	84.5	47%	0.474	42%	0.421	S	S	.	.			trans	-52.7	132.4	171.7	-25.2	34.3	0	0	0	112.3	F619 H624 R654	F619-P652 HydrophobicContact CD1-CB 3.77Å; F619-P652 HydrophobicContact CE1-CB 3.25Å; F619-P652 HydrophobicContact CE1-CG 4.3Å; F619-P652 HydrophobicContact CZ-CB 3.68Å; F619-P652 HydrophobicContact CZ-CG 4.33Å; H624-P652 HydrophobicContact CB-CB 4.41Å; H624-P652 HydrophobicContact CB-CG 4.3Å; P652-R654 PolarHBondContact O-N 3.06Å; P652-R654 VanDerWaalsContact O-N 3.12Å
653	N	90.1	Very high	75.8	Confident	54 Å²	54	80.6 Å²	80.6	29%	0.289	40%	0.397	S	S	.	.			trans	-86	83.7	-178.5	-174.2	22.5	0	0	0	110.1	Y620 D621 G651 A655	Y620-N653 WeakPolarHBondContact CB-O 3.46Å; Y620-N653 WeakPolarHBondContact CD1-ND2 3.39Å; Y620-N653 PolarHBondContact N-O 3.11Å; D621-N653 PolarHBondContact OD2-ND2 2.99Å; G651-N653 PolarHBondContact O-N 2.93Å; N653-A655 PolarHBondContact O-N 3.24Å
654	R	92.3	Very high	78.3	Confident	96 Å²	96	69.9 Å²	69.9	36%	0.362	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-61.7	132.9	176	-172	174.3	169.5	-152.5	-5.6	110.7	S616 F619 P652 R656	S616-R654 PolarHBondContact O-NH2 3.2Å; F619-R654 HydrophobicContact CD1-CB 4.37Å; P652-R654 PolarHBondContact O-N 3.06Å; P652-R654 VanDerWaalsContact O-N 3.12Å; R654-R656 PolarHBondContact O-N 3.38Å
655	A	96	Very high	80.8	Confident	7 Å²	7	65.7 Å²	65.7	6%	0.058	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-62.4	135.2	176.2	0	0	0	0	0	110.1	S618 N653 H660	S618-A655 WeakPolarHBondContact O-CB 3.19Å; S618-A655 PolarHBondContact O-N 2.96Å; N653-A655 PolarHBondContact O-N 3.24Å; A655-H660 HydrophobicContact CB-CB 4.34Å
656	R	93.7	Very high	83.2	Confident	194 Å²	194	59.6 Å²	59.6	73%	0.732	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-60.6	155.5	164.8	-58.4	177.5	-170.6	171	1.5	108.7	R654 S658 Y659 H660	R654-R656 PolarHBondContact O-N 3.38Å; R656-S658 PolarHBondContact O-N 3.44Å; R656-S658 VanDerWaalsContact O-N 3.09Å; R656-Y659 WeakPolarHBondContact O-CA 3.45Å; R656-Y659 PolarHBondContact O-N 3.29Å; R656-H660 PolarHBondContact O-N 3.15Å
657	W	95.1	Very high	85.7	Confident	18 Å²	18	50.6 Å²	50.6	7%	0.068	26%	0.261	C	S	.	.	H	α-helix	trans	-54.8	-34.5	-176.5	-65	131.5	0	0	0	114.3	Y121 H135 A136 D137 V138 Y659 H660 S661 L692	Y121-W657 AromaticContact CE2-CD1 3.62Å; Y121-W657 AromaticContact CE2-NE1 3.51Å; Y121-W657 AromaticContact CZ-CD1 3.94Å; H135-W657 AromaticContact CD2-CH2 3.43Å; H135-W657 VanDerWaalsContact CD2-CH2 3.43Å; H135-W657 WeakPolarHBondContact CD2-CH2 3.28Å; H135-W657 AromaticContact CD2-CZ2 3.39Å; H135-W657 WeakPolarHBondContact CD2-CZ2 3.33Å; H135-W657 AromaticContact NE2-CH2 3.46Å; H135-W657 WeakPolarHBondContact NE2-CH2 3.36Å; H135-W657 AromaticContact NE2-CZ2 3.43Å; H135-W657 WeakPolarHBondContact NE2-CZ2 3.37Å; H135-W657 PolarHBondContact O-NE1 3.17Å; A136-W657 HydrophobicContact CB-CB 4.23Å; A136-W657 HydrophobicContact CB-CD2 3.78Å; A136-W657 HydrophobicContact CB-CE3 4.26Å; A136-W657 HydrophobicContact CB-CG 3.77Å; D137-W657 VanDerWaalsContact OD1-CB 3.27Å; D137-W657 WeakPolarHBondContact OD1-CB 3.32Å; V138-W657 HydrophobicContact CG1-CB 4.18Å; V138-W657 HydrophobicContact CG2-CB 3.93Å; W657-Y659 PolarHBondContact O-N 2.99Å; W657-H660 HydrophobicContact CE3-CB 4.25Å; W657-H660 AromaticContact CE3-CD2 3.91Å; W657-H660 AromaticContact CZ3-CD2 3.9Å; W657-H660 PolarHBondContact O-N 3.21Å; W657-S661 VanDerWaalsContact O-CB 3.23Å; W657-S661 WeakPolarHBondContact O-CB 3.16Å; W657-S661 PolarHBondContact O-N 2.87Å; W657-L692 HydrophobicContact CD2-CD2 4.27Å; W657-L692 HydrophobicContact CE3-CD2 3.57Å; W657-L692 HydrophobicContact CZ3-CD2 4.01Å
658	S	93.5	Very high	88.3	Confident	69 Å²	69	45.9 Å²	45.9	48%	0.483	24%	0.239	S	C	.	.	H	α-helix	trans	-62.3	-40.2	173	56.8	0	0	0	0	114.1	R656 L662	R656-S658 PolarHBondContact O-N 3.44Å; R656-S658 VanDerWaalsContact O-N 3.09Å; S658-L662 WeakPolarHBondContact O-CB 3.46Å; S658-L662 PolarHBondContact O-N 3.35Å
659	Y	96.7	Very high	90.6	Very high	82 Å²	82	40.1 Å²	40.1	32%	0.322	21%	0.209	S	C	.	.	H	α-helix	trans	-75.6	-36.1	174.2	-80.1	-70.8	0	0	0	112	Y620 R656 W657 L662 H663	Y620-Y659 AromaticContact CD2-CD1 3.93Å; Y620-Y659 HydrophobicContact CD2-CD1 3.93Å; Y620-Y659 HydrophobicContact CD2-CD2 4.28Å; Y620-Y659 HydrophobicContact CD2-CE1 4.36Å; Y620-Y659 AromaticContact CD2-CG 3.88Å; Y620-Y659 HydrophobicContact CD2-CG 3.88Å; Y620-Y659 AromaticContact CE2-CD1 3.49Å; Y620-Y659 HydrophobicContact CE2-CD1 3.49Å; Y620-Y659 VanDerWaalsContact CE2-CD1 3.49Å; Y620-Y659 HydrophobicContact CE2-CD2 4.21Å; Y620-Y659 AromaticContact CE2-CE1 3.51Å; Y620-Y659 HydrophobicContact CE2-CE1 3.51Å; Y620-Y659 HydrophobicContact CE2-CE2 4.21Å; Y620-Y659 AromaticContact CE2-CG 3.85Å; Y620-Y659 HydrophobicContact CE2-CG 3.85Å; Y620-Y659 AromaticContact CE2-CZ 3.87Å; R656-Y659 WeakPolarHBondContact O-CA 3.45Å; R656-Y659 PolarHBondContact O-N 3.29Å; W657-Y659 PolarHBondContact O-N 2.99Å; Y659-L662 HydrophobicContact CD1-CD2 4.09Å; Y659-L662 HydrophobicContact CE1-CD2 4.44Å; Y659-L662 WeakPolarHBondContact O-CB 3.37Å; Y659-L662 PolarHBondContact O-N 3.17Å; Y659-H663 PolarHBondContact O-CD2 3.47Å; Y659-H663 PolarHBondContact O-N 2.85Å
660	H	97.7	Very high	92.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-61	-46.9	174.2	-174.8	61.7	0	0	0	111.4	S618 A655 R656 W657 L662 H663 I664 W688	S618-H660 PolarHBondContact N-CE1 3.39Å; S618-H660 VanDerWaalsContact N-CE1 3.35Å; S618-H660 PolarHBondContact N-ND1 2.89Å; S618-H660 PolarHBondContact OG-ND1 3.24Å; A655-H660 HydrophobicContact CB-CB 4.34Å; R656-H660 PolarHBondContact O-N 3.15Å; W657-H660 HydrophobicContact CE3-CB 4.25Å; W657-H660 AromaticContact CE3-CD2 3.91Å; W657-H660 AromaticContact CZ3-CD2 3.9Å; W657-H660 PolarHBondContact O-N 3.21Å; H660-L662 VanDerWaalsContact C-N 3.32Å; H660-L662 PolarHBondContact O-N 3.31Å; H660-H663 WeakPolarHBondContact O-CB 3.45Å; H660-H663 PolarHBondContact O-N 3.48Å; H660-H663 VanDerWaalsContact O-N 3.14Å; H660-I664 WeakPolarHBondContact O-CG1 3.5Å; H660-I664 PolarHBondContact O-N 3.17Å; H660-W688 VanDerWaalsContact CE1-CB 3.48Å; H660-W688 WeakPolarHBondContact CE1-CB 3.3Å; H660-W688 AromaticContact CE1-CG 3.67Å; H660-W688 PolarHBondContact NE2-O 3.01Å
661	S	96.3	Very high	94.1	Very high	11 Å²	11	37.9 Å²	37.9	8%	0.077	19%	0.19	C	C	.	.	H	α-helix	trans	-58.2	-41.8	172	178.1	0	0	0	0	111.8	P141 W657 I664 K665	P141-S661 VanDerWaalsContact CG-OG 3.26Å; P141-S661 WeakPolarHBondContact CG-OG 3.38Å; W657-S661 VanDerWaalsContact O-CB 3.23Å; W657-S661 WeakPolarHBondContact O-CB 3.16Å; W657-S661 PolarHBondContact O-N 2.87Å; S661-I664 PolarHBondContact O-N 3.14Å; S661-K665 WeakPolarHBondContact O-CG 3.05Å; S661-K665 PolarHBondContact O-N 2.78Å; S661-K665 VanDerWaalsContact O-N 3.12Å
662	L	95.5	Very high	94.8	Very high	31 Å²	31	38.7 Å²	38.7	16%	0.162	19%	0.186	C	C	.	.	H	α-helix	trans	-60.9	-45.2	172.7	172	63	0	0	0	112.3	N563 Y567 S658 Y659 H660 I664 K665 Q666	N563-L662 HydrophobicContact CB-CD2 3.98Å; Y567-L662 HydrophobicContact CE2-CD2 4.21Å; Y567-L662 VanDerWaalsContact OH-CD1 3.29Å; Y567-L662 WeakPolarHBondContact OH-CD1 3.47Å; S658-L662 WeakPolarHBondContact O-CB 3.46Å; S658-L662 PolarHBondContact O-N 3.35Å; Y659-L662 HydrophobicContact CD1-CD2 4.09Å; Y659-L662 HydrophobicContact CE1-CD2 4.44Å; Y659-L662 WeakPolarHBondContact O-CB 3.37Å; Y659-L662 PolarHBondContact O-N 3.17Å; H660-L662 VanDerWaalsContact C-N 3.32Å; H660-L662 PolarHBondContact O-N 3.31Å; L662-I664 VanDerWaalsContact C-N 3.32Å; L662-I664 PolarHBondContact O-N 3.34Å; L662-K665 PolarHBondContact O-N 2.89Å; L662-Q666 HydrophobicContact CD1-CG 4.2Å; L662-Q666 PolarHBondContact O-N 3.21Å
663	H	98	Very high	95	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.7	-41.4	179.4	-62.6	164.6	0	0	0	111.5	L562 S618 F619 Y659 H660 K665 Q666 L667 W688	L562-H663 HydrophobicContact CD2-CB 4.35Å; S618-H663 PolarHBondContact OG-ND1 2.68Å; F619-H663 PolarHBondContact O-CE1 3.45Å; Y659-H663 PolarHBondContact O-CD2 3.47Å; Y659-H663 PolarHBondContact O-N 2.85Å; H660-H663 WeakPolarHBondContact O-CB 3.45Å; H660-H663 PolarHBondContact O-N 3.48Å; H660-H663 VanDerWaalsContact O-N 3.14Å; H663-K665 VanDerWaalsContact C-N 3.35Å; H663-K665 PolarHBondContact O-N 3.19Å; H663-Q666 WeakPolarHBondContact O-CB 3.44Å; H663-Q666 PolarHBondContact O-N 3.48Å; H663-L667 WeakPolarHBondContact O-CG 2.82Å; H663-L667 PolarHBondContact O-N 2.89Å; H663-W688 HydrophobicContact CB-CE3 4.05Å; H663-W688 HydrophobicContact CB-CZ3 3.68Å
664	I	97.2	Very high	95.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.4	-48.5	173.8	-67	161.4	0	0	0	110.6	P141 H660 S661 L662 Q666 L667 Q668 W688 T689 L692	P141-I664 HydrophobicContact CB-CG2 3.88Å; P141-I664 HydrophobicContact CG-CB 4.2Å; P141-I664 HydrophobicContact CG-CD1 4.4Å; P141-I664 HydrophobicContact CG-CG2 4.04Å; H660-I664 WeakPolarHBondContact O-CG1 3.5Å; H660-I664 PolarHBondContact O-N 3.17Å; S661-I664 PolarHBondContact O-N 3.14Å; L662-I664 VanDerWaalsContact C-N 3.32Å; L662-I664 PolarHBondContact O-N 3.34Å; I664-Q666 VanDerWaalsContact C-N 3.3Å; I664-Q666 PolarHBondContact O-N 3.46Å; I664-L667 PolarHBondContact O-N 3.35Å; I664-Q668 WeakPolarHBondContact O-CG 3.4Å; I664-Q668 PolarHBondContact O-N 3.2Å; I664-W688 HydrophobicContact CD1-CB 4.06Å; I664-W688 HydrophobicContact CG1-CB 3.66Å; I664-T689 WeakPolarHBondContact CG2-OG1 3.29Å; I664-L692 HydrophobicContact CD1-CD1 3.61Å; I664-L692 HydrophobicContact CD1-CG 4.24Å
665	K	94.7	Very high	95.5	Very high	44 Å²	44	33.8 Å²	33.8	19%	0.191	17%	0.168	C	C	.	.	H	α-helix	trans	-62.4	-36.6	178.2	-67.4	172.8	-178.2	-154	0	112.8	P141 E156 S661 L662 H663 Q668 T669	P141-K665 HydrophobicContact CB-CG 3.96Å; P141-K665 HydrophobicContact CG-CG 4.26Å; E156-K665 WeakPolarHBondContact OE2-CD 3.35Å; E156-K665 VanDerWaalsContact OE2-CE 3.29Å; E156-K665 WeakPolarHBondContact OE2-CE 3.39Å; E156-K665 IonicContact OE2-NZ 2.74Å; E156-K665 PolarHBondContact OE2-NZ 2.86Å; S661-K665 WeakPolarHBondContact O-CG 3.05Å; S661-K665 PolarHBondContact O-N 2.78Å; S661-K665 VanDerWaalsContact O-N 3.12Å; L662-K665 PolarHBondContact O-N 2.89Å; H663-K665 VanDerWaalsContact C-N 3.35Å; H663-K665 PolarHBondContact O-N 3.19Å; K665-Q668 PolarHBondContact O-N 3.13Å; K665-T669 PolarHBondContact O-N 3.18Å; K665-T669 PolarHBondContact O-OG1 3.38Å
666	Q	96.4	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-44	174.6	-82.5	-178.1	-38.3	0	0	111.8	M155 N563 I566 Y567 L662 H663 I664 T669 L670	M155-Q666 HydrophobicContact CE-CB 4.49Å; M155-Q666 HydrophobicContact CE-CG 3.77Å; N563-Q666 VanDerWaalsContact CA-OE1 3.27Å; N563-Q666 PolarHBondContact O-NE2 3.33Å; I566-Q666 HydrophobicContact CB-CB 4.5Å; I566-Q666 HydrophobicContact CB-CG 4.5Å; I566-Q666 HydrophobicContact CD1-CB 3.98Å; I566-Q666 HydrophobicContact CG2-CB 3.92Å; I566-Q666 HydrophobicContact CG2-CG 4.05Å; Y567-Q666 VanDerWaalsContact CD2-NE2 3.31Å; L662-Q666 HydrophobicContact CD1-CG 4.2Å; L662-Q666 PolarHBondContact O-N 3.21Å; H663-Q666 WeakPolarHBondContact O-CB 3.44Å; H663-Q666 PolarHBondContact O-N 3.48Å; I664-Q666 VanDerWaalsContact C-N 3.3Å; I664-Q666 PolarHBondContact O-N 3.46Å; Q666-T669 WeakPolarHBondContact O-CB 3.35Å; Q666-T669 PolarHBondContact O-N 3.2Å; Q666-L670 WeakPolarHBondContact O-CG 3.28Å; Q666-L670 PolarHBondContact O-N 3.45Å
667	L	97.3	Very high	95.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-41.7	174.3	-66.9	-178.3	0	0	0	111.9	L609 H663 I664 T669 L670 I671 W681 T684 A685 W688	L609-L667 HydrophobicContact CD1-CD2 4.1Å; L609-L667 HydrophobicContact CD2-CD1 4.38Å; L609-L667 HydrophobicContact CD2-CD2 3.69Å; H663-L667 WeakPolarHBondContact O-CG 2.82Å; H663-L667 PolarHBondContact O-N 2.89Å; I664-L667 PolarHBondContact O-N 3.35Å; L667-T669 VanDerWaalsContact C-N 3.26Å; L667-T669 PolarHBondContact O-N 3.39Å; L667-L670 HydrophobicContact CD2-CD1 4.11Å; L667-L670 WeakPolarHBondContact O-CB 3.43Å; L667-L670 PolarHBondContact O-N 3.29Å; L667-I671 PolarHBondContact O-N 3.14Å; L667-W681 HydrophobicContact CD2-CE3 4.27Å; L667-T684 HydrophobicContact CD1-CG2 3.7Å; L667-A685 HydrophobicContact CB-CB 3.85Å; L667-A685 HydrophobicContact CD1-CB 4.23Å; L667-W688 HydrophobicContact CD1-CD2 4.35Å; L667-W688 HydrophobicContact CD1-CE3 3.63Å; L667-W688 HydrophobicContact CD1-CH2 4.32Å; L667-W688 HydrophobicContact CD1-CZ3 3.58Å; L667-W688 HydrophobicContact CG-CZ3 4.32Å
668	Q	94.8	Very high	95.9	Very high	25 Å²	25	35 Å²	35	12%	0.117	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-39.3	173.7	-73	170.1	-20	0	0	111.7	I664 K665 I671 A685	I664-Q668 WeakPolarHBondContact O-CG 3.4Å; I664-Q668 PolarHBondContact O-N 3.2Å; K665-Q668 PolarHBondContact O-N 3.13Å; Q668-I671 WeakPolarHBondContact O-CB 3.36Å; Q668-I671 PolarHBondContact O-N 3.44Å; Q668-A685 HydrophobicContact CG-CB 4.33Å
669	T	94.3	Very high	96.1	Very high	11 Å²	11	37.2 Å²	37.2	7%	0.067	19%	0.192	C	C	.	.	H	α-helix	trans	-64.2	-42.4	173.2	-56.4	0	0	0	0	110.9	H148 M155 K665 Q666 L667 I671 D672 L673	H148-T669 HydrophobicContact CB-CG2 4.1Å; M155-T669 HydrophobicContact CE-CG2 4.23Å; M155-T669 VanDerWaalsContact CE-OG1 3.27Å; M155-T669 WeakPolarHBondContact CE-OG1 3.36Å; M155-T669 HydrophobicContact CG-CG2 4.29Å; K665-T669 PolarHBondContact O-N 3.18Å; K665-T669 PolarHBondContact O-OG1 3.38Å; Q666-T669 WeakPolarHBondContact O-CB 3.35Å; Q666-T669 PolarHBondContact O-N 3.2Å; L667-T669 VanDerWaalsContact C-N 3.26Å; L667-T669 PolarHBondContact O-N 3.39Å; T669-I671 PolarHBondContact O-N 3.31Å; T669-D672 PolarHBondContact O-N 2.94Å; T669-D672 VanDerWaalsContact O-N 3.11Å; T669-L673 HydrophobicContact CG2-CD1 3.76Å; T669-L673 HydrophobicContact CG2-CD2 4.21Å; T669-L673 WeakPolarHBondContact O-CD1 3.17Å; T669-L673 PolarHBondContact O-N 3.29Å
670	L	96.4	Very high	96.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-63	-25.4	-179.9	-72.2	170.4	0	0	0	114.2	I566 L602 L605 Q666 L667 D672 L673 D674 W681	I566-L670 HydrophobicContact CD1-CD1 4.25Å; I566-L670 HydrophobicContact CG1-CD1 4.35Å; I566-L670 HydrophobicContact CG2-CD1 4.01Å; I566-L670 HydrophobicContact CG2-CD2 4.37Å; I566-L670 HydrophobicContact CG2-CG 4.24Å; L602-L670 HydrophobicContact CD2-CD2 3.81Å; L605-L670 HydrophobicContact CD2-CD1 3.51Å; Q666-L670 WeakPolarHBondContact O-CG 3.28Å; Q666-L670 PolarHBondContact O-N 3.45Å; L667-L670 HydrophobicContact CD2-CD1 4.11Å; L667-L670 WeakPolarHBondContact O-CB 3.43Å; L667-L670 PolarHBondContact O-N 3.29Å; L670-D672 PolarHBondContact O-N 3.37Å; L670-L673 PolarHBondContact O-N 2.72Å; L670-D674 PolarHBondContact O-N 2.69Å; L670-W681 HydrophobicContact CB-CD2 4.43Å; L670-W681 HydrophobicContact CB-CG 4.02Å
671	I	95	Very high	96.2	Very high	44 Å²	44	35.8 Å²	35.8	23%	0.226	19%	0.188	C	C	.	.	H	α-helix	trans	-55.4	-40.7	173.1	-64.2	168	0	0	0	110.8	L667 Q668 T669 A678 W681 N682	L667-I671 PolarHBondContact O-N 3.14Å; Q668-I671 WeakPolarHBondContact O-CB 3.36Å; Q668-I671 PolarHBondContact O-N 3.44Å; T669-I671 PolarHBondContact O-N 3.31Å; I671-A678 HydrophobicContact CG2-CB 4.05Å; I671-W681 HydrophobicContact CG1-CB 3.86Å; I671-N682 HydrophobicContact CD1-CB 3.69Å; I671-N682 HydrophobicContact CG1-CB 4.18Å
672	D	90.8	Very high	96.2	Very high	51 Å²	51	39.1 Å²	39.1	27%	0.273	21%	0.205	S	C	.	.	H	α-helix	trans	-80.4	-39.7	179.2	-67.2	-36.1	0	0	0	112.8	K147 T669 L670 D674	K147-D672 WeakPolarHBondContact CA-OD2 3.42Å; T669-D672 PolarHBondContact O-N 2.94Å; T669-D672 VanDerWaalsContact O-N 3.11Å; L670-D672 PolarHBondContact O-N 3.37Å; D672-D674 VanDerWaalsContact C-N 3.35Å
673	L	94.2	Very high	96.3	Very high	15 Å²	15	41 Å²	41	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-71.5	-31.7	-175.7	-87.6	57.8	0	0	0	112.4	H148 V570 Y573 T669 L670	H148-L673 HydrophobicContact CB-CD1 3.56Å; V570-L673 HydrophobicContact CB-CD2 4.45Å; V570-L673 HydrophobicContact CG1-CD2 4.49Å; V570-L673 HydrophobicContact CG2-CD2 3.91Å; Y573-L673 HydrophobicContact CD1-CD1 4.32Å; Y573-L673 HydrophobicContact CD1-CD2 4Å; Y573-L673 HydrophobicContact CD1-CG 3.66Å; Y573-L673 HydrophobicContact CD2-CB 3.99Å; Y573-L673 HydrophobicContact CD2-CD2 4.39Å; Y573-L673 HydrophobicContact CD2-CG 3.79Å; Y573-L673 HydrophobicContact CE1-CD1 4.02Å; Y573-L673 HydrophobicContact CE1-CG 3.72Å; Y573-L673 HydrophobicContact CE2-CB 3.97Å; Y573-L673 HydrophobicContact CE2-CG 3.84Å; Y573-L673 WeakPolarHBondContact CE2-O 3.45Å; Y573-L673 HydrophobicContact CG-CB 4.36Å; Y573-L673 HydrophobicContact CG-CD2 3.93Å; Y573-L673 HydrophobicContact CG-CG 3.69Å; T669-L673 HydrophobicContact CG2-CD1 3.76Å; T669-L673 HydrophobicContact CG2-CD2 4.21Å; T669-L673 WeakPolarHBondContact O-CD1 3.17Å; T669-L673 PolarHBondContact O-N 3.29Å; L670-L673 PolarHBondContact O-N 2.72Å
674	D	96.5	Very high	96.2	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.043	22%	0.221	C	C	.	.			trans	-137.1	74.2	-173.2	173.8	43.6	0	0	0	111.8	L602 L670 D672 K676 R677 A678 W681	L602-D674 HydrophobicContact CD1-CB 4.14Å; L602-D674 HydrophobicContact CD2-CB 4.29Å; L670-D674 PolarHBondContact O-N 2.69Å; D672-D674 VanDerWaalsContact C-N 3.35Å; D674-K676 PolarHBondContact O-N 2.86Å; D674-K676 VanDerWaalsContact O-N 3.08Å; D674-R677 PolarHBondContact O-N 3.03Å; D674-R677 VanDerWaalsContact O-N 3.15Å; D674-R677 IonicContact OD1-CZ 2.82Å; D674-R677 IonicContact OD1-NE 3.82Å; D674-R677 PolarHBondContact OD1-NE 3.14Å; D674-R677 IonicContact OD1-NH2 3.78Å; D674-R677 PolarHBondContact OD1-NH2 3.4Å; D674-R677 WeakPolarHBondContact OD2-CB 3.2Å; D674-R677 IonicContact OD2-CZ 3.06Å; D674-R677 IonicContact OD2-NE 2.65Å; D674-R677 PolarHBondContact OD2-NE 3.49Å; D674-R677 IonicContact OD2-NH1 2.89Å; D674-R677 PolarHBondContact OD2-NH1 3.23Å; D674-R677 IonicContact OD2-NH2 3.89Å; D674-R677 PolarHBondContact OD2-NH2 2.85Å; D674-A678 PolarHBondContact O-N 2.67Å; D674-W681 WeakPolarHBondContact OD2-CZ2 3.41Å; D674-W681 PolarHBondContact OD2-NE1 3.33Å
675	P	95.5	Very high	96.2	Very high	97 Å²	97	41.6 Å²	41.6	63%	0.63	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-56.9	-28	-179.7	-26.8	35.6	0	0	0	113.8	R677 A678	P675-R677 PolarHBondContact O-N 2.74Å; P675-R677 VanDerWaalsContact O-N 3.14Å; P675-A678 WeakPolarHBondContact O-CB 3.47Å; P675-A678 PolarHBondContact O-N 2.89Å
676	K	97.6	Very high	96.3	Very high	181 Å²	181	43.5 Å²	43.5	79%	0.787	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-57.2	-30	-180	-66.3	-179.6	-178.3	174.8	0	112.7	D674	D674-K676 PolarHBondContact O-N 2.86Å; D674-K676 VanDerWaalsContact O-N 3.08Å
677	R	98	Very high	96.2	Very high	43 Å²	43	48 Å²	48	16%	0.162	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-125.4	18.7	-179.6	-67.9	154.9	-74.7	156.7	-6.5	112.9	L602 S606 D674 P675 V679 Q680 W681	L602-R677 VanDerWaalsContact CB-NH1 3.29Å; L602-R677 PolarHBondContact O-NH1 2.7Å; S606-R677 WeakPolarHBondContact OG-CD 3.44Å; D674-R677 PolarHBondContact O-N 3.03Å; D674-R677 VanDerWaalsContact O-N 3.15Å; D674-R677 IonicContact OD1-CZ 2.82Å; D674-R677 IonicContact OD1-NE 3.82Å; D674-R677 PolarHBondContact OD1-NE 3.14Å; D674-R677 IonicContact OD1-NH2 3.78Å; D674-R677 PolarHBondContact OD1-NH2 3.4Å; D674-R677 WeakPolarHBondContact OD2-CB 3.2Å; D674-R677 IonicContact OD2-CZ 3.06Å; D674-R677 IonicContact OD2-NE 2.65Å; D674-R677 PolarHBondContact OD2-NE 3.49Å; D674-R677 IonicContact OD2-NH1 2.89Å; D674-R677 PolarHBondContact OD2-NH1 3.23Å; D674-R677 IonicContact OD2-NH2 3.89Å; D674-R677 PolarHBondContact OD2-NH2 2.85Å; P675-R677 PolarHBondContact O-N 2.74Å; P675-R677 VanDerWaalsContact O-N 3.14Å; R677-V679 PolarHBondContact O-N 2.6Å; R677-V679 VanDerWaalsContact O-N 3.11Å; R677-Q680 WeakPolarHBondContact O-CB 3.42Å; R677-Q680 PolarHBondContact O-N 2.84Å; R677-W681 HydrophobicContact CB-CD2 4.48Å; R677-W681 HydrophobicContact CB-CZ2 3.88Å; R677-W681 VanDerWaalsContact O-CD1 3.25Å; R677-W681 PolarHBondContact O-N 3.08Å
678	A	96.8	Very high	96.2	Very high	22 Å²	22	48 Å²	48	18%	0.182	25%	0.254	C	S	.	.	H	α-helix	trans	-49.7	-39.2	178.6	0	0	0	0	0	113.4	I671 D674 P675 W681 N682	I671-A678 HydrophobicContact CG2-CB 4.05Å; D674-A678 PolarHBondContact O-N 2.67Å; P675-A678 WeakPolarHBondContact O-CB 3.47Å; P675-A678 PolarHBondContact O-N 2.89Å; A678-W681 PolarHBondContact O-N 3.27Å; A678-N682 VanDerWaalsContact O-CB 3.24Å; A678-N682 WeakPolarHBondContact O-CB 3.37Å; A678-N682 PolarHBondContact O-N 3.3Å
679	V	98	Very high	96.3	Very high	115 Å²	115	48 Å²	48	70%	0.697	26%	0.256	S	S	*	.	H	α-helix	trans	-59	-49.6	177.2	178.4	0	0	0	0	111.1	R677 W681 N682 T683	R677-V679 PolarHBondContact O-N 2.6Å; R677-V679 VanDerWaalsContact O-N 3.11Å; V679-W681 PolarHBondContact O-N 2.91Å; V679-N682 PolarHBondContact O-N 3.28Å; V679-T683 WeakPolarHBondContact O-CB 3.34Å; V679-T683 PolarHBondContact O-N 3.38Å; V679-T683 PolarHBondContact O-OG1 3.17Å
680	Q	98.4	Very high	96.4	Very high	52 Å²	52	48.7 Å²	48.7	24%	0.243	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-44.4	179.9	-173.8	-172.8	21.6	0	0	111.8	S606 R677 T684	S606-Q680 PolarHBondContact O-NE2 2.99Å; S606-Q680 PolarHBondContact OG-OE1 2.75Å; R677-Q680 WeakPolarHBondContact O-CB 3.42Å; R677-Q680 PolarHBondContact O-N 2.84Å; Q680-T684 WeakPolarHBondContact O-CB 3.33Å; Q680-T684 PolarHBondContact O-N 3.15Å; Q680-T684 PolarHBondContact O-OG1 3.03Å
681	W	97.7	Very high	96.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-47.3	178.2	-50.9	145.9	0	0	0	111.2	L605 L609 L667 L670 I671 D674 R677 A678 V679 T684 A685	L605-W681 HydrophobicContact CB-CH2 4.2Å; L605-W681 HydrophobicContact CD2-CH2 4.14Å; L605-W681 HydrophobicContact CG-CH2 3.87Å; L605-W681 HydrophobicContact CG-CZ3 4.17Å; L609-W681 HydrophobicContact CB-CZ3 4.26Å; L609-W681 HydrophobicContact CD2-CE3 3.5Å; L609-W681 HydrophobicContact CD2-CZ3 3.44Å; L609-W681 VanDerWaalsContact CD2-CZ3 3.44Å; L609-W681 HydrophobicContact CG-CZ3 4.45Å; L667-W681 HydrophobicContact CD2-CE3 4.27Å; L670-W681 HydrophobicContact CB-CD2 4.43Å; L670-W681 HydrophobicContact CB-CG 4.02Å; I671-W681 HydrophobicContact CG1-CB 3.86Å; D674-W681 WeakPolarHBondContact OD2-CZ2 3.41Å; D674-W681 PolarHBondContact OD2-NE1 3.33Å; R677-W681 HydrophobicContact CB-CD2 4.48Å; R677-W681 HydrophobicContact CB-CZ2 3.88Å; R677-W681 VanDerWaalsContact O-CD1 3.25Å; R677-W681 PolarHBondContact O-N 3.08Å; A678-W681 PolarHBondContact O-N 3.27Å; V679-W681 PolarHBondContact O-N 2.91Å; W681-T684 PolarHBondContact O-N 3.44Å; W681-A685 VanDerWaalsContact O-CB 3.26Å; W681-A685 WeakPolarHBondContact O-CB 3.47Å; W681-A685 PolarHBondContact O-N 3.37Å
682	N	96.7	Very high	96.3	Very high	81 Å²	81	47.1 Å²	47.1	43%	0.433	26%	0.255	S	S	.	.	H	α-helix	trans	-66.1	-45.6	-179.7	-170.6	47.1	0	0	0	112.5	I671 A678 V679 T684 A685 T686	I671-N682 HydrophobicContact CD1-CB 3.69Å; I671-N682 HydrophobicContact CG1-CB 4.18Å; A678-N682 VanDerWaalsContact O-CB 3.24Å; A678-N682 WeakPolarHBondContact O-CB 3.37Å; A678-N682 PolarHBondContact O-N 3.3Å; V679-N682 PolarHBondContact O-N 3.28Å; N682-T684 VanDerWaalsContact C-N 3.34Å; N682-T684 PolarHBondContact O-N 2.84Å; N682-A685 PolarHBondContact O-N 2.88Å; N682-T686 WeakPolarHBondContact O-CB 3.43Å; N682-T686 PolarHBondContact O-N 3.31Å; N682-T686 PolarHBondContact O-OG1 2.78Å
683	T	97.1	Very high	96.4	Very high	72 Å²	72	50.8 Å²	50.8	44%	0.442	27%	0.27	S	S	.	.	H	α-helix	trans	-59.4	-45	176.5	-62.1	0	0	0	0	111.3	V679 T686 R687	V679-T683 WeakPolarHBondContact O-CB 3.34Å; V679-T683 PolarHBondContact O-N 3.38Å; V679-T683 PolarHBondContact O-OG1 3.17Å; T683-T686 PolarHBondContact O-N 3.45Å; T683-R687 WeakPolarHBondContact O-CB 3.43Å; T683-R687 PolarHBondContact O-N 2.8Å
684	T	97.5	Very high	96.2	Very high	10 Å²	10	51.5 Å²	51.5	6%	0.061	28%	0.281	C	S	.	.	H	α-helix	trans	-68.4	-43.4	179.2	-52.2	0	0	0	0	111.4	L609 L667 Q680 W681 N682 T686 R687 W688	L609-T684 HydrophobicContact CD2-CG2 3.93Å; L609-T684 HydrophobicContact CG-CG2 4.2Å; L667-T684 HydrophobicContact CD1-CG2 3.7Å; Q680-T684 WeakPolarHBondContact O-CB 3.33Å; Q680-T684 PolarHBondContact O-N 3.15Å; Q680-T684 PolarHBondContact O-OG1 3.03Å; W681-T684 PolarHBondContact O-N 3.44Å; N682-T684 VanDerWaalsContact C-N 3.34Å; N682-T684 PolarHBondContact O-N 2.84Å; T684-T686 VanDerWaalsContact C-N 3.32Å; T684-T686 PolarHBondContact O-N 2.87Å; T684-R687 PolarHBondContact O-N 3.34Å; T684-W688 HydrophobicContact CG2-CD2 3.92Å; T684-W688 HydrophobicContact CG2-CE3 4.39Å; T684-W688 HydrophobicContact CG2-CG 4.36Å; T684-W688 HydrophobicContact CG2-CH2 4.26Å; T684-W688 HydrophobicContact CG2-CZ2 3.77Å; T684-W688 WeakPolarHBondContact O-CB 3.26Å; T684-W688 VanDerWaalsContact O-CG 3.32Å; T684-W688 PolarHBondContact O-N 3.37Å
685	A	96.7	Very high	96	Very high	2 Å²	2	53.9 Å²	53.9	2%	0.017	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-41.4	176.2	0	0	0	0	0	112.1	L667 Q668 W681 N682 W688 T689	L667-A685 HydrophobicContact CB-CB 3.85Å; L667-A685 HydrophobicContact CD1-CB 4.23Å; Q668-A685 HydrophobicContact CG-CB 4.33Å; W681-A685 VanDerWaalsContact O-CB 3.26Å; W681-A685 WeakPolarHBondContact O-CB 3.47Å; W681-A685 PolarHBondContact O-N 3.37Å; N682-A685 PolarHBondContact O-N 2.88Å; A685-W688 PolarHBondContact O-N 3.02Å; A685-T689 WeakPolarHBondContact O-CB 3.37Å; A685-T689 PolarHBondContact O-N 3.01Å; A685-T689 PolarHBondContact O-OG1 3.44Å
686	T	95.8	Very high	95.7	Very high	84 Å²	84	57.4 Å²	57.4	52%	0.515	30%	0.299	S	S	.	.	H	α-helix	trans	-65.1	-47.8	178.4	-59.9	0	0	0	0	110.7	N682 T683 T684 W688 T689 A690	N682-T686 WeakPolarHBondContact O-CB 3.43Å; N682-T686 PolarHBondContact O-N 3.31Å; N682-T686 PolarHBondContact O-OG1 2.78Å; T683-T686 PolarHBondContact O-N 3.45Å; T684-T686 VanDerWaalsContact C-N 3.32Å; T684-T686 PolarHBondContact O-N 2.87Å; T686-W688 PolarHBondContact O-N 3.42Å; T686-T689 WeakPolarHBondContact O-CB 3.32Å; T686-T689 PolarHBondContact O-N 3.43Å; T686-A690 PolarHBondContact O-N 3.08Å
687	R	96.1	Very high	95.3	Very high	93 Å²	93	51.9 Å²	51.9	35%	0.351	28%	0.283	S	S	.	.	H	α-helix	trans	-60.7	-44.6	176.4	-176.9	169.7	66.5	-125.2	-2.8	112	D613 T683 T684 T689 A690 Y691	D613-R687 IonicContact OD2-CZ 2.62Å; D613-R687 IonicContact OD2-NE 2.77Å; D613-R687 PolarHBondContact OD2-NE 2.74Å; D613-R687 IonicContact OD2-NH2 3.7Å; D613-R687 PolarHBondContact OD2-NH2 2.79Å; T683-R687 WeakPolarHBondContact O-CB 3.43Å; T683-R687 PolarHBondContact O-N 2.8Å; T684-R687 PolarHBondContact O-N 3.34Å; R687-T689 VanDerWaalsContact C-N 3.33Å; R687-T689 PolarHBondContact O-N 3.34Å; R687-A690 WeakPolarHBondContact O-CB 3.35Å; R687-A690 PolarHBondContact O-N 2.8Å; R687-Y691 VanDerWaalsContact CD-OH 3.29Å; R687-Y691 WeakPolarHBondContact CD-OH 3.41Å; R687-Y691 HydrophobicContact CG-CE1 3.94Å; R687-Y691 HydrophobicContact CG-CE2 4.08Å; R687-Y691 WeakPolarHBondContact CG-OH 3.49Å; R687-Y691 WeakPolarHBondContact O-CD1 3.31Å; R687-Y691 PolarHBondContact O-N 3.23Å
688	W	97.2	Very high	94.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.8	-35.3	176	-73.1	6.9	0	0	0	112.4	L562 L609 F612 D613 H660 H663 I664 L667 T684 A685 T686 A690 Y691 L692	L562-W688 HydrophobicContact CD2-CH2 3.78Å; L562-W688 HydrophobicContact CD2-CZ3 4.06Å; L609-W688 HydrophobicContact CD1-CH2 3.7Å; L609-W688 HydrophobicContact CD1-CZ2 4.31Å; L609-W688 HydrophobicContact CD1-CZ3 4.43Å; F612-W688 HydrophobicContact CB-CH2 4.1Å; F612-W688 HydrophobicContact CB-CZ2 4.2Å; D613-W688 HydrophobicContact CB-CZ2 4.44Å; D613-W688 VanDerWaalsContact CG-NE1 3.31Å; D613-W688 PolarHBondContact OD2-NE1 3.21Å; H660-W688 VanDerWaalsContact CE1-CB 3.48Å; H660-W688 WeakPolarHBondContact CE1-CB 3.3Å; H660-W688 AromaticContact CE1-CG 3.67Å; H660-W688 PolarHBondContact NE2-O 3.01Å; H663-W688 HydrophobicContact CB-CE3 4.05Å; H663-W688 HydrophobicContact CB-CZ3 3.68Å; I664-W688 HydrophobicContact CD1-CB 4.06Å; I664-W688 HydrophobicContact CG1-CB 3.66Å; L667-W688 HydrophobicContact CD1-CD2 4.35Å; L667-W688 HydrophobicContact CD1-CE3 3.63Å; L667-W688 HydrophobicContact CD1-CH2 4.32Å; L667-W688 HydrophobicContact CD1-CZ3 3.58Å; L667-W688 HydrophobicContact CG-CZ3 4.32Å; T684-W688 HydrophobicContact CG2-CD2 3.92Å; T684-W688 HydrophobicContact CG2-CE3 4.39Å; T684-W688 HydrophobicContact CG2-CG 4.36Å; T684-W688 HydrophobicContact CG2-CH2 4.26Å; T684-W688 HydrophobicContact CG2-CZ2 3.77Å; T684-W688 WeakPolarHBondContact O-CB 3.26Å; T684-W688 VanDerWaalsContact O-CG 3.32Å; T684-W688 PolarHBondContact O-N 3.37Å; A685-W688 PolarHBondContact O-N 3.02Å; T686-W688 PolarHBondContact O-N 3.42Å; W688-A690 VanDerWaalsContact C-N 3.31Å; W688-A690 PolarHBondContact O-N 3.47Å; W688-Y691 HydrophobicContact CB-CD2 4.5Å; W688-Y691 AromaticContact CD1-CD2 3.71Å; W688-Y691 AromaticContact CD1-CE2 3.52Å; W688-Y691 HydrophobicContact CG-CD2 4.36Å; W688-Y691 WeakPolarHBondContact O-CB 3.41Å; W688-Y691 PolarHBondContact O-N 3.41Å; W688-Y691 VanDerWaalsContact O-N 3.14Å; W688-L692 PolarHBondContact O-N 3.14Å
689	T	96.4	Very high	93.5	Very high	25 Å²	25	65.4 Å²	65.4	15%	0.153	35%	0.348	C	S	.	.	H	α-helix	trans	-61.7	-40.6	172.6	-57.1	0	0	0	0	111.3	I140 I664 A685 T686 R687 Y691 L692	I140-T689 HydrophobicContact CG2-CG2 3.54Å; I664-T689 WeakPolarHBondContact CG2-OG1 3.29Å; A685-T689 WeakPolarHBondContact O-CB 3.37Å; A685-T689 PolarHBondContact O-N 3.01Å; A685-T689 PolarHBondContact O-OG1 3.44Å; T686-T689 WeakPolarHBondContact O-CB 3.32Å; T686-T689 PolarHBondContact O-N 3.43Å; R687-T689 VanDerWaalsContact C-N 3.33Å; R687-T689 PolarHBondContact O-N 3.34Å; T689-Y691 VanDerWaalsContact C-N 3.26Å; T689-Y691 PolarHBondContact O-N 3.2Å; T689-L692 WeakPolarHBondContact O-CB 3.47Å; T689-L692 PolarHBondContact O-N 3.24Å; T689-L692 VanDerWaalsContact O-N 3.13Å
690	A	95.4	Very high	91	Very high	27 Å²	27	70.7 Å²	70.7	22%	0.223	37%	0.373	C	S	.	.	H	α-helix	trans	-62.9	-32.2	175	0	0	0	0	0	112.5	T686 R687 W688 L692 Q693 G694 S695	T686-A690 PolarHBondContact O-N 3.08Å; R687-A690 WeakPolarHBondContact O-CB 3.35Å; R687-A690 PolarHBondContact O-N 2.8Å; W688-A690 VanDerWaalsContact C-N 3.31Å; W688-A690 PolarHBondContact O-N 3.47Å; A690-L692 VanDerWaalsContact C-N 3.26Å; A690-L692 PolarHBondContact O-N 2.99Å; A690-Q693 CarbonylContact O-C 3.57Å; A690-Q693 WeakPolarHBondContact O-CA 3.24Å; A690-Q693 WeakPolarHBondContact O-CB 3.39Å; A690-Q693 PolarHBondContact O-N 3.11Å; A690-G694 PolarHBondContact O-N 2.99Å; A690-S695 WeakPolarHBondContact O-CB 3.42Å; A690-S695 PolarHBondContact O-N 3.07Å; A690-S695 PolarHBondContact O-OG 3.48Å
691	Y	95.4	Very high	90.7	Very high	5 Å²	5	71.7 Å²	71.7	2%	0.02	38%	0.379	C	S	.	.	H	α-helix	trans	-63.8	-29.3	175.1	-59.1	-23.2	0	0	0	113.2	H135 D613 G615 R687 W688 T689 Q693 G694 S695	H135-Y691 PolarHBondContact CD2-O 2.86Å; H135-Y691 VanDerWaalsContact CD2-O 3.23Å; D613-Y691 WeakPolarHBondContact OD1-CE2 3.37Å; D613-Y691 PolarHBondContact OD1-OH 3.38Å; G615-Y691 WeakPolarHBondContact CA-OH 3.43Å; R687-Y691 VanDerWaalsContact CD-OH 3.29Å; R687-Y691 WeakPolarHBondContact CD-OH 3.41Å; R687-Y691 HydrophobicContact CG-CE1 3.94Å; R687-Y691 HydrophobicContact CG-CE2 4.08Å; R687-Y691 WeakPolarHBondContact CG-OH 3.49Å; R687-Y691 WeakPolarHBondContact O-CD1 3.31Å; R687-Y691 PolarHBondContact O-N 3.23Å; W688-Y691 HydrophobicContact CB-CD2 4.5Å; W688-Y691 AromaticContact CD1-CD2 3.71Å; W688-Y691 AromaticContact CD1-CE2 3.52Å; W688-Y691 HydrophobicContact CG-CD2 4.36Å; W688-Y691 WeakPolarHBondContact O-CB 3.41Å; W688-Y691 PolarHBondContact O-N 3.41Å; W688-Y691 VanDerWaalsContact O-N 3.14Å; T689-Y691 VanDerWaalsContact C-N 3.26Å; T689-Y691 PolarHBondContact O-N 3.2Å; Y691-Q693 PolarHBondContact O-N 2.87Å; Y691-G694 PolarHBondContact O-N 2.87Å; Y691-S695 WeakPolarHBondContact CD1-O 3.4Å
692	L	94.3	Very high	90.3	Very high	7 Å²	7	75.4 Å²	75.4	4%	0.037	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.9	171.3	-69.5	170.7	0	0	0	113	A136 V138 I140 P141 W657 I664 W688 T689 A690	A136-L692 HydrophobicContact CB-CB 4.48Å; A136-L692 HydrophobicContact CB-CD2 3.57Å; V138-L692 HydrophobicContact CG2-CD2 3.94Å; I140-L692 HydrophobicContact CG1-CB 4.42Å; P141-L692 VanDerWaalsContact CD-CD1 3.42Å; P141-L692 HydrophobicContact CG-CD1 4.37Å; W657-L692 HydrophobicContact CD2-CD2 4.27Å; W657-L692 HydrophobicContact CE3-CD2 3.57Å; W657-L692 HydrophobicContact CZ3-CD2 4.01Å; I664-L692 HydrophobicContact CD1-CD1 3.61Å; I664-L692 HydrophobicContact CD1-CG 4.24Å; W688-L692 PolarHBondContact O-N 3.14Å; T689-L692 WeakPolarHBondContact O-CB 3.47Å; T689-L692 PolarHBondContact O-N 3.24Å; T689-L692 VanDerWaalsContact O-N 3.13Å; A690-L692 VanDerWaalsContact C-N 3.26Å; A690-L692 PolarHBondContact O-N 2.99Å
693	Q	92.2	Very high	89.9	Confident	128 Å²	128	75.1 Å²	75.1	60%	0.598	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	5.2	177.7	-62	176.2	-41.2	0	0	112.4	I140 A690 Y691	I140-Q693 HydrophobicContact CD1-CG 3.64Å; A690-Q693 CarbonylContact O-C 3.57Å; A690-Q693 WeakPolarHBondContact O-CA 3.24Å; A690-Q693 WeakPolarHBondContact O-CB 3.39Å; A690-Q693 PolarHBondContact O-N 3.11Å; Y691-Q693 PolarHBondContact O-N 2.87Å
694	G	90.5	Very high	89.5	Confident	29 Å²	29	75.3 Å²	75.3	30%	0.299	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	0.4	178.6	0	0	0	0	0	114.8	A690 Y691	A690-G694 PolarHBondContact O-N 2.99Å; Y691-G694 PolarHBondContact O-N 2.87Å
695	S	92.4	Very high	89	Confident	58 Å²	58	79.4 Å²	79.4	41%	0.406	42%	0.416	S	S	.	.			trans	-60.5	151.6	168.6	-53.2	0	0	0	0	110.2	A690 Y691	A690-S695 WeakPolarHBondContact O-CB 3.42Å; A690-S695 PolarHBondContact O-N 3.07Å; A690-S695 PolarHBondContact O-OG 3.48Å; Y691-S695 WeakPolarHBondContact CD1-O 3.4Å
696	R	90.7	Very high	88.5	Confident	172 Å²	172	84.5 Å²	84.5	65%	0.649	44%	0.442	S	S	*	.			trans	-128.3	157.6	173.2	-61.4	-173.6	-179.9	-148.4	2.4	108.7	G615 L698	G615-R696 CarbonylContact O-C 3.59Å; G615-R696 VanDerWaalsContact O-CA 3.28Å; G615-R696 WeakPolarHBondContact O-CA 3.46Å; R696-L698 PolarHBondContact O-N 3.38Å
697	S	88.1	Confident	88	Confident	65 Å²	65	84.6 Å²	84.6	46%	0.455	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-53.9	138.5	165.1	55.1	0	0	0	0	108.5	G615 Q699	G615-S697 WeakPolarHBondContact CA-OG 3.39Å; G615-S697 PolarHBondContact O-N 2.93Å; G615-S697 PolarHBondContact O-OG 3.15Å; S697-Q699 PolarHBondContact O-N 3.08Å
698	L	83.7	Confident	87.4	Confident	163 Å²	163	83.9 Å²	83.9	85%	0.853	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-57.6	133.2	174.7	-63.4	172.8	0	0	0	108.9	R696	R696-L698 PolarHBondContact O-N 3.38Å
699	Q	73.9	Confident	86.6	Confident	185 Å²	185	90.9 Å²	90.9	86%	0.864	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-74.8	130	158.9	-171.1	171.2	-4.3	0	0	105.6	S697	S697-Q699 PolarHBondContact O-N 3.08Å
700	N	46	Very low	85.7	Confident	227 Å²	227	96.9 Å²	96.9	100%	1.214	51%	0.511	S	S	*	.			trans	-62.7	0	163.8	-76.5	-11.5	0	0	0	109

Retrieved 700 of 700 residues in 214.3 ms (Link to these results)

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