A0A096MWF8_PAPAN Loading...

Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 1

AlphaFold DB (F7GSZ9), UniProt , Accession A0A096MWF8, Species PAPAN (Papio anubis, Olive baboon), Gene NDST1, Length 882 aa.

						>A0A096MWF8_PAPAN|A0A096MWF8|NDST1
MPALACLRRLCRHVSPQAVLFLLFVFCLFSVFISAYYLYGWKRGLEPSADAPEPDCGDPPPVAPSRLLPLKPVQAATPSRTDPLVLVFVESLYSQLGQEVVAILESSRFKYRTEIAPGKGDMPTLTDKGRGRFALIIYENILKYVNLDAWNRELLDKYCVAYGVGIIGFFKANENSLLSAQLKGFPLFLHSNLGLKDCSINPKSPLLYVTRPSEVEKGVLPGEDWTVFQSNHSTYEPVLLAKTRSSESIPHLGADAGLHAALHATVVQDLGLHDGIQRVLFGNNLNFWLHKLVFVDAVAFLTGKRLSLPLDRYILVDIDDIFVGKEGTRMKVEDVKALFDTQNELRAHIPNFTFNLGYSGKFFHTGTDAEDAGDDLLLSYVKEFWWFPHMWSHMQPHLFHNQSVLAEQMALNKKFAVEHGIPTDMGYAVAPHHSGVYPVHVQLYEAWKQVWSIRVTSTEEYPHLKPARYRRGFIHNGIMVLPRQTCGLFTHTIFYNEYPGGSSELDKIINGGELFLTVLLNPISIFMTHLSNYGNDRLGLYTFKHLVRFLHSWTNLRLQTLPPVQLAQKYFQIFSEEKDPLWQDPCEDKRHKDIWSKEKTCDRFPKLLIIGPQKTGTTALYLFLGMHPDLSSNYPSSETFEEIQFFNGHNYHKGIDWYMEFFPIPSNTTSDFYFEKSANYFDSEVAPRRAAALLPKAKVLTILINPADRAYSWYQHQRAHDDPVALKYTFHEVITAGSDASSKLRALQNRCLVPGWYATHIERWLSAYHANQILVLDGKLLRTEPAKVMDMVQKFLGVTNTIDYHKTLAFDPKKGFWCQLLEGGKTKCLGKSKGRKYPEMDLDSRAFLKDYYRDHNIELSKLLYKMGQTLPTWLREDLQNTR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.7	Low	42.6	Very low	236 Å²	236	140.5 Å²	140.5	100%	1.163	75%	0.749	S	S	*	*				0	109.6	0	-66.8	-174.7	170.3	0	0	106.3
2	P	40.4	Very low	43.3	Very low	114 Å²	114	146.8 Å²	146.8	74%	0.74	75%	0.754	S	S	*	*				-141.2	0.6	72.8	29.2	-6.9	0	0	0	116.7
3	A	41.9	Very low	44	Very low	76 Å²	76	150.2 Å²	150.2	63%	0.628	76%	0.764	S	S	*	*	H	α-helix	trans	-76.5	-34.9	-175.8	0	0	0	0	0	114.5	A5	A3-A5 VanDerWaalsContact C-N 3.31Å; A3-A5 PolarHBondContact O-N 2.74Å
4	L	40.9	Very low	45	Very low	153 Å²	153	145.2 Å²	145.2	80%	0.801	74%	0.744	S	S	*	*	H	α-helix	trans	-76.2	-12.5	178.5	-90.1	119	0	0	0	114.6
5	A	39.8	Very low	47	Very low	63 Å²	63	139.5 Å²	139.5	52%	0.521	72%	0.723	S	S	.	*	H	α-helix	trans	-84	-24.3	177.8	0	0	0	0	0	112.6	A3	A3-A5 VanDerWaalsContact C-N 3.31Å; A3-A5 PolarHBondContact O-N 2.74Å
6	C	40.5	Very low	48.4	Very low	87 Å²	87	137.4 Å²	137.4	59%	0.588	72%	0.72	S	S	*	*	H	α-helix	trans	-76.3	-40.7	179.9	-155.7	0	0	0	0	111.7	R8 R9	C6-R8 VanDerWaalsContact C-N 3.34Å; C6-R8 PolarHBondContact O-N 3.06Å; C6-R9 PolarHBondContact O-N 3.24Å; C6-R9 VanDerWaalsContact O-N 3.17Å
7	L	40.9	Very low	49.8	Very low	133 Å²	133	138.6 Å²	138.6	70%	0.696	72%	0.721	S	S	*	*	H	α-helix	trans	-66.1	-31.5	176.5	-95.6	132.5	0	0	0	113.6	R9	L7-R9 VanDerWaalsContact C-N 3.29Å; L7-R9 PolarHBondContact O-N 3.03Å
8	R	40.3	Very low	51.2	Low	216 Å²	216	133 Å²	133	82%	0.815	70%	0.698	S	S	*	*	H	α-helix	trans	-73.3	-15	174.9	-94.4	-177.5	173.8	179.9	-1	114.3	C6	C6-R8 VanDerWaalsContact C-N 3.34Å; C6-R8 PolarHBondContact O-N 3.06Å
9	R	42.6	Very low	52.6	Low	224 Å²	224	129.7 Å²	129.7	85%	0.845	68%	0.684	S	S	*	*	H	α-helix	trans	-89.7	-22.7	176.4	-82.3	-174	-179.7	-169.5	0.3	113.8	C6 L7	C6-R9 PolarHBondContact O-N 3.24Å; C6-R9 VanDerWaalsContact O-N 3.17Å; L7-R9 VanDerWaalsContact C-N 3.29Å; L7-R9 PolarHBondContact O-N 3.03Å
10	L	44.1	Very low	53.9	Low	138 Å²	138	129.5 Å²	129.5	72%	0.723	68%	0.682	S	S	*	*	H	α-helix	trans	-76.6	-29.8	176	-108.7	83.1	0	0	0	113.4	R12	L10-R12 VanDerWaalsContact C-N 3.32Å; L10-R12 PolarHBondContact O-N 2.91Å
11	C	47	Very low	55.4	Low	106 Å²	106	130 Å²	130	72%	0.716	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	15.5	-173.9	-64.6	0	0	0	0	115.3
12	R	51.1	Low	56.9	Low	216 Å²	216	124.2 Å²	124.2	82%	0.815	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-1.8	-178.5	-102.6	-175.7	177	-174.6	-1.1	116.5	L10	L10-R12 VanDerWaalsContact C-N 3.32Å; L10-R12 PolarHBondContact O-N 2.91Å
13	H	51.7	Low	58.9	Low	191 Å²	191	123.9 Å²	123.9	88%	0.884	64%	0.644	S	S	*	*	S	Bend	trans	-144.4	60.6	173.8	-79.4	-37.9	0	0	0	112.6
14	V	58.8	Low	61.1	Low	80 Å²	80	126.2 Å²	126.2	49%	0.485	64%	0.64	S	S	.	*			trans	-114.3	112.1	165.5	-170.6	0	0	0	0	107.2	A18 V19	V14-A18 HydrophobicContact CG1-CB 3.59Å; V14-V19 HydrophobicContact CG1-CG2 3.79Å
15	S	75.1	Confident	63.3	Low	60 Å²	60	122.3 Å²	122.3	42%	0.42	62%	0.622	S	S	.	*			trans	-65.5	153.4	178.4	69	0	0	0	0	110.1	Q17 A18 V19	S15-Q17 PolarHBondContact O-N 3Å; S15-A18 PolarHBondContact O-N 2.92Å; S15-A18 PolarHBondContact OG-N 3.15Å; S15-V19 PolarHBondContact O-N 2.72Å
16	P	68	Low	65.5	Low	105 Å²	105	126.7 Å²	126.7	68%	0.682	63%	0.63	S	S	*	*	H	α-helix	trans	-53.3	-31.2	177.3	-26.6	35.1	0	0	0	113.1	V19 L20	P16-V19 PolarHBondContact O-N 3.29Å; P16-L20 PolarHBondContact O-N 3.42Å; P16-L20 VanDerWaalsContact O-N 3.09Å
17	Q	73.3	Confident	67.3	Low	159 Å²	159	126.2 Å²	126.2	74%	0.743	63%	0.627	S	S	*	*	H	α-helix	trans	-67.2	-37.2	176.4	-68.6	173.9	-23.3	0	0	112.8	S15 L20 F21	S15-Q17 PolarHBondContact O-N 3Å; Q17-L20 PolarHBondContact O-N 2.79Å; Q17-F21 WeakPolarHBondContact O-CB 3.37Å; Q17-F21 PolarHBondContact O-N 3.03Å
18	A	74.1	Confident	69.5	Low	37 Å²	37	124.4 Å²	124.4	31%	0.306	62%	0.617	S	S	.	*	H	α-helix	trans	-71.6	-31.9	177.4	0	0	0	0	0	112.3	V14 S15 L22	V14-A18 HydrophobicContact CG1-CB 3.59Å; S15-A18 PolarHBondContact O-N 2.92Å; S15-A18 PolarHBondContact OG-N 3.15Å; A18-L22 PolarHBondContact O-N 3.18Å
19	V	78.6	Confident	71.6	Confident	71 Å²	71	120.1 Å²	120.1	43%	0.43	61%	0.605	S	S	.	*	H	α-helix	trans	-68.6	-43.6	172.8	179.9	0	0	0	0	111	V14 S15 P16 F21 L22 L23	V14-V19 HydrophobicContact CG1-CG2 3.79Å; S15-V19 PolarHBondContact O-N 2.72Å; P16-V19 PolarHBondContact O-N 3.29Å; V19-F21 VanDerWaalsContact C-N 3.32Å; V19-F21 PolarHBondContact O-N 3.08Å; V19-L22 PolarHBondContact O-N 3.11Å; V19-L23 HydrophobicContact CG1-CD1 4.16Å; V19-L23 PolarHBondContact O-N 2.68Å
20	L	77.9	Confident	73.3	Confident	124 Å²	124	112.5 Å²	112.5	65%	0.649	59%	0.586	S	S	*	*	H	α-helix	trans	-61.8	-40.2	174.6	-104.8	134.5	0	0	0	112.1	P16 Q17 L23 F24	P16-L20 PolarHBondContact O-N 3.42Å; P16-L20 VanDerWaalsContact O-N 3.09Å; Q17-L20 PolarHBondContact O-N 2.79Å; L20-L23 PolarHBondContact O-N 3.24Å; L20-F24 WeakPolarHBondContact O-CB 3.35Å; L20-F24 PolarHBondContact O-N 3.16Å
21	F	86.1	Confident	75.2	Confident	141 Å²	141	110.4 Å²	110.4	62%	0.618	58%	0.579	S	S	*	*	H	α-helix	trans	-65	-43.8	176.2	-172.5	-99.2	0	0	0	112.1	Q17 V19 L23 F24 V25	Q17-F21 WeakPolarHBondContact O-CB 3.37Å; Q17-F21 PolarHBondContact O-N 3.03Å; V19-F21 VanDerWaalsContact C-N 3.32Å; V19-F21 PolarHBondContact O-N 3.08Å; F21-L23 PolarHBondContact O-N 3.11Å; F21-F24 PolarHBondContact O-N 3.01Å; F21-V25 HydrophobicContact CD1-CG2 4.18Å; F21-V25 HydrophobicContact CE1-CG2 3.85Å; F21-V25 HydrophobicContact CZ-CG2 4.12Å; F21-V25 WeakPolarHBondContact O-CG2 3.27Å; F21-V25 PolarHBondContact O-N 3.49Å
22	L	82.5	Confident	76.6	Confident	114 Å²	114	112.6 Å²	112.6	60%	0.597	58%	0.576	S	S	*	*	H	α-helix	trans	-63.1	-41.1	175.6	-84.5	161.6	0	0	0	112.5	A18 V19 F24 V25 F26	A18-L22 PolarHBondContact O-N 3.18Å; V19-L22 PolarHBondContact O-N 3.11Å; L22-F24 VanDerWaalsContact C-N 3.34Å; L22-V25 PolarHBondContact O-N 3.44Å; L22-F26 WeakPolarHBondContact O-CB 3.16Å; L22-F26 PolarHBondContact O-N 3.24Å
23	L	81.1	Confident	77.6	Confident	107 Å²	107	105.8 Å²	105.8	56%	0.56	56%	0.555	S	S	*	*	H	α-helix	trans	-62.6	-40.9	174.2	-83	163.4	0	0	0	112	V19 L20 F21 F26 C27	V19-L23 HydrophobicContact CG1-CD1 4.16Å; V19-L23 PolarHBondContact O-N 2.68Å; L20-L23 PolarHBondContact O-N 3.24Å; F21-L23 PolarHBondContact O-N 3.11Å; L23-F26 PolarHBondContact O-N 3.38Å; L23-C27 PolarHBondContact O-N 3.35Å; L23-C27 PolarHBondContact O-SG 2.77Å
24	F	88.9	Confident	78.1	Confident	126 Å²	126	99.5 Å²	99.5	55%	0.553	53%	0.533	S	S	*	.	H	α-helix	trans	-64.7	-44.2	176.9	-176.2	-102.8	0	0	0	112	L20 F21 L22 F26 C27 L28	L20-F24 WeakPolarHBondContact O-CB 3.35Å; L20-F24 PolarHBondContact O-N 3.16Å; F21-F24 PolarHBondContact O-N 3.01Å; L22-F24 VanDerWaalsContact C-N 3.34Å; F24-F26 VanDerWaalsContact C-N 3.33Å; F24-F26 PolarHBondContact O-N 3.37Å; F24-C27 PolarHBondContact O-N 3.39Å; F24-L28 HydrophobicContact CD1-CD1 3.83Å; F24-L28 HydrophobicContact CD1-CG 4.46Å; F24-L28 HydrophobicContact CE1-CD1 3.34Å; F24-L28 HydrophobicContact CE1-CG 4.12Å; F24-L28 HydrophobicContact CZ-CD1 3.83Å; F24-L28 HydrophobicContact CZ-CG 4.24Å; F24-L28 PolarHBondContact O-N 3.47Å
25	V	87.4	Confident	78.2	Confident	70 Å²	70	97.6 Å²	97.6	42%	0.424	53%	0.525	S	S	.	.	H	α-helix	trans	-62.5	-40.8	175.4	172.7	0	0	0	0	111.2	F21 L22 L28 F29	F21-V25 HydrophobicContact CD1-CG2 4.18Å; F21-V25 HydrophobicContact CE1-CG2 3.85Å; F21-V25 HydrophobicContact CZ-CG2 4.12Å; F21-V25 WeakPolarHBondContact O-CG2 3.27Å; F21-V25 PolarHBondContact O-N 3.49Å; L22-V25 PolarHBondContact O-N 3.44Å; V25-L28 PolarHBondContact O-N 2.88Å; V25-F29 WeakPolarHBondContact O-CB 3.39Å; V25-F29 PolarHBondContact O-N 2.87Å
26	F	86.4	Confident	77.7	Confident	156 Å²	156	102.3 Å²	102.3	68%	0.684	54%	0.535	S	S	*	.	H	α-helix	trans	-65.7	-38.6	177.3	-148	-86.7	0	0	0	112	L22 L23 F24 F29 S30	L22-F26 WeakPolarHBondContact O-CB 3.16Å; L22-F26 PolarHBondContact O-N 3.24Å; L23-F26 PolarHBondContact O-N 3.38Å; F24-F26 VanDerWaalsContact C-N 3.33Å; F24-F26 PolarHBondContact O-N 3.37Å; F26-F29 PolarHBondContact O-N 3.01Å; F26-S30 WeakPolarHBondContact O-CB 3.4Å; F26-S30 PolarHBondContact O-N 3.49Å
27	C	78.5	Confident	77.2	Confident	76 Å²	76	106 Å²	106	51%	0.514	54%	0.536	S	S	.	.	H	α-helix	trans	-64.9	-43.8	174.2	-70.8	0	0	0	0	111.8	L23 F24 F29 S30 V31	L23-C27 PolarHBondContact O-N 3.35Å; L23-C27 PolarHBondContact O-SG 2.77Å; F24-C27 PolarHBondContact O-N 3.39Å; C27-F29 VanDerWaalsContact C-N 3.34Å; C27-F29 PolarHBondContact O-N 3.28Å; C27-S30 WeakPolarHBondContact O-CB 3.41Å; C27-S30 PolarHBondContact O-N 3.41Å; C27-V31 WeakPolarHBondContact O-CG2 3.35Å; C27-V31 PolarHBondContact O-N 3.41Å
28	L	86.4	Confident	76.1	Confident	96 Å²	96	105 Å²	105	50%	0.503	54%	0.535	S	S	.	.	H	α-helix	trans	-63	-40.4	176.5	-76	175.7	0	0	0	112.1	F24 V25 V31 F32	F24-L28 HydrophobicContact CD1-CD1 3.83Å; F24-L28 HydrophobicContact CD1-CG 4.46Å; F24-L28 HydrophobicContact CE1-CD1 3.34Å; F24-L28 HydrophobicContact CE1-CG 4.12Å; F24-L28 HydrophobicContact CZ-CD1 3.83Å; F24-L28 HydrophobicContact CZ-CG 4.24Å; F24-L28 PolarHBondContact O-N 3.47Å; V25-L28 PolarHBondContact O-N 2.88Å; L28-V31 PolarHBondContact O-N 2.91Å; L28-F32 WeakPolarHBondContact O-CB 3.42Å; L28-F32 PolarHBondContact O-N 3.28Å
29	F	84.1	Confident	74.9	Confident	126 Å²	126	112.9 Å²	112.9	55%	0.553	56%	0.559	S	S	*	*	H	α-helix	trans	-65.7	-40	176.5	-166.9	-107.5	0	0	0	112	V25 F26 C27 F32 I33	V25-F29 WeakPolarHBondContact O-CB 3.39Å; V25-F29 PolarHBondContact O-N 2.87Å; F26-F29 PolarHBondContact O-N 3.01Å; C27-F29 VanDerWaalsContact C-N 3.34Å; C27-F29 PolarHBondContact O-N 3.28Å; F29-F32 PolarHBondContact O-N 3.02Å; F29-I33 HydrophobicContact CD1-CD1 3.7Å; F29-I33 HydrophobicContact CD1-CG1 4.46Å; F29-I33 HydrophobicContact CE1-CD1 3.33Å; F29-I33 HydrophobicContact CE1-CG1 4.25Å; F29-I33 HydrophobicContact CZ-CD1 3.92Å; F29-I33 HydrophobicContact CZ-CG1 4.49Å; F29-I33 WeakPolarHBondContact O-CG1 3.31Å; F29-I33 PolarHBondContact O-N 3.19Å
30	S	78.9	Confident	73	Confident	64 Å²	64	112 Å²	112	45%	0.448	56%	0.564	S	S	.	*	H	α-helix	trans	-61.2	-43.3	173	171.8	0	0	0	0	112.7	F26 C27 S34	F26-S30 WeakPolarHBondContact O-CB 3.4Å; F26-S30 PolarHBondContact O-N 3.49Å; C27-S30 WeakPolarHBondContact O-CB 3.41Å; C27-S30 PolarHBondContact O-N 3.41Å; S30-S34 WeakPolarHBondContact O-CB 3.41Å; S30-S34 PolarHBondContact O-N 3.36Å; S30-S34 PolarHBondContact O-OG 3.2Å
31	V	83	Confident	71.1	Confident	94 Å²	94	117.1 Å²	117.1	57%	0.57	58%	0.575	S	S	*	*	H	α-helix	trans	-66.1	-39.7	176.2	171.9	0	0	0	0	110.6	C27 L28 S34 A35	C27-V31 WeakPolarHBondContact O-CG2 3.35Å; C27-V31 PolarHBondContact O-N 3.41Å; L28-V31 PolarHBondContact O-N 2.91Å; V31-S34 PolarHBondContact O-N 2.9Å; V31-A35 VanDerWaalsContact O-CB 3.29Å; V31-A35 WeakPolarHBondContact O-CB 3.45Å; V31-A35 PolarHBondContact O-N 3.41Å
32	F	77.2	Confident	68.6	Low	151 Å²	151	120 Å²	120	66%	0.662	59%	0.587	S	S	*	*	H	α-helix	trans	-66.4	-41.7	177.8	-162.1	-91.2	0	0	0	112.4	L28 F29 A35 Y36	L28-F32 WeakPolarHBondContact O-CB 3.42Å; L28-F32 PolarHBondContact O-N 3.28Å; F29-F32 PolarHBondContact O-N 3.02Å; F32-A35 PolarHBondContact O-N 3.4Å; F32-Y36 WeakPolarHBondContact O-CB 3.49Å; F32-Y36 PolarHBondContact O-N 3.38Å
33	I	71.9	Confident	66.2	Low	74 Å²	74	126.3 Å²	126.3	38%	0.379	60%	0.603	S	S	.	*	H	α-helix	trans	-63.7	-43.8	173.3	-71.2	176	0	0	0	110.6	F29 A35 Y36 Y37	F29-I33 HydrophobicContact CD1-CD1 3.7Å; F29-I33 HydrophobicContact CD1-CG1 4.46Å; F29-I33 HydrophobicContact CE1-CD1 3.33Å; F29-I33 HydrophobicContact CE1-CG1 4.25Å; F29-I33 HydrophobicContact CZ-CD1 3.92Å; F29-I33 HydrophobicContact CZ-CG1 4.49Å; F29-I33 WeakPolarHBondContact O-CG1 3.31Å; F29-I33 PolarHBondContact O-N 3.19Å; I33-A35 VanDerWaalsContact C-N 3.35Å; I33-A35 PolarHBondContact O-N 3.11Å; I33-Y36 PolarHBondContact O-N 2.7Å; I33-Y37 HydrophobicContact CG2-CD2 3.95Å; I33-Y37 HydrophobicContact CG2-CE2 4.14Å; I33-Y37 WeakPolarHBondContact O-CD2 3.45Å; I33-Y37 PolarHBondContact O-N 2.81Å
34	S	61.8	Low	63.6	Low	59 Å²	59	124.6 Å²	124.6	41%	0.413	61%	0.611	S	S	.	*	H	α-helix	trans	-63.2	-41.8	177.7	-62.8	0	0	0	0	111.5	S30 V31 Y37 L38	S30-S34 WeakPolarHBondContact O-CB 3.41Å; S30-S34 PolarHBondContact O-N 3.36Å; S30-S34 PolarHBondContact O-OG 3.2Å; V31-S34 PolarHBondContact O-N 2.9Å; S34-Y37 PolarHBondContact O-N 3.06Å; S34-L38 VanDerWaalsContact O-CB 3.28Å; S34-L38 WeakPolarHBondContact O-CB 3.35Å; S34-L38 WeakPolarHBondContact O-CD1 3.34Å; S34-L38 WeakPolarHBondContact O-CG 3.47Å; S34-L38 PolarHBondContact O-N 3.15Å
35	A	61.4	Low	60.7	Low	39 Å²	39	127 Å²	127	32%	0.322	63%	0.629	S	S	.	*	H	α-helix	trans	-66	-38.5	175.5	0	0	0	0	0	112.1	V31 F32 I33 Y37 L38 Y39	V31-A35 VanDerWaalsContact O-CB 3.29Å; V31-A35 WeakPolarHBondContact O-CB 3.45Å; V31-A35 PolarHBondContact O-N 3.41Å; F32-A35 PolarHBondContact O-N 3.4Å; I33-A35 VanDerWaalsContact C-N 3.35Å; I33-A35 PolarHBondContact O-N 3.11Å; A35-Y37 PolarHBondContact O-N 3.05Å; A35-L38 PolarHBondContact O-N 2.99Å; A35-Y39 WeakPolarHBondContact O-CB 3.38Å; A35-Y39 WeakPolarHBondContact O-CD2 3.46Å; A35-Y39 PolarHBondContact O-N 3.29Å
36	Y	63.5	Low	57.9	Low	160 Å²	160	132.7 Å²	132.7	63%	0.627	65%	0.651	S	S	*	*	H	α-helix	trans	-62.6	-41	175.3	-179.3	-98.8	0	0	0	112	F32 I33 G40	F32-Y36 WeakPolarHBondContact O-CB 3.49Å; F32-Y36 PolarHBondContact O-N 3.38Å; I33-Y36 PolarHBondContact O-N 2.7Å; Y36-G40 VanDerWaalsContact O-CA 3.3Å; Y36-G40 WeakPolarHBondContact O-CA 3.38Å; Y36-G40 PolarHBondContact O-N 3.05Å
37	Y	57.8	Low	55.2	Low	181 Å²	181	131.4 Å²	131.4	71%	0.71	66%	0.658	S	S	*	*	H	α-helix	trans	-75.9	-29.5	175.4	-84.6	-79.7	0	0	0	113.7	I33 S34 A35	I33-Y37 HydrophobicContact CG2-CD2 3.95Å; I33-Y37 HydrophobicContact CG2-CE2 4.14Å; I33-Y37 WeakPolarHBondContact O-CD2 3.45Å; I33-Y37 PolarHBondContact O-N 2.81Å; S34-Y37 PolarHBondContact O-N 3.06Å; A35-Y37 PolarHBondContact O-N 3.05Å
38	L	50.4	Low	52.7	Low	138 Å²	138	133.7 Å²	133.7	72%	0.723	68%	0.675	S	S	*	*	H	α-helix	trans	-74.5	-30	176.3	-83.3	159.9	0	0	0	113.3	S34 A35	S34-L38 VanDerWaalsContact O-CB 3.28Å; S34-L38 WeakPolarHBondContact O-CB 3.35Å; S34-L38 WeakPolarHBondContact O-CD1 3.34Å; S34-L38 WeakPolarHBondContact O-CG 3.47Å; S34-L38 PolarHBondContact O-N 3.15Å; A35-L38 PolarHBondContact O-N 2.99Å
39	Y	48.9	Very low	49.9	Very low	204 Å²	204	133.2 Å²	133.2	80%	0.8	69%	0.685	S	S	*	*	H	α-helix	trans	-115.7	-13.5	-173.9	-70.9	-83.1	0	0	0	115	A35	A35-Y39 WeakPolarHBondContact O-CB 3.38Å; A35-Y39 WeakPolarHBondContact O-CD2 3.46Å; A35-Y39 PolarHBondContact O-N 3.29Å
40	G	38.8	Very low	47.4	Very low	51 Å²	51	135.1 Å²	135.1	53%	0.526	70%	0.701	S	S	.	*	S	Bend	trans	-88.7	-7.9	-171.5	0	0	0	0	0	116.9	Y36	Y36-G40 VanDerWaalsContact O-CA 3.3Å; Y36-G40 WeakPolarHBondContact O-CA 3.38Å; Y36-G40 PolarHBondContact O-N 3.05Å
41	W	38.7	Very low	45	Very low	233 Å²	233	136.7 Å²	136.7	88%	0.883	72%	0.718	S	S	*	*			trans	-116.1	81.5	-175.2	-158.6	-89.6	0	0	0	112.4
42	K	33.8	Very low	42.5	Very low	200 Å²	200	138.1 Å²	138.1	87%	0.87	73%	0.729	S	S	*	*			trans	-119.5	112.1	168.1	-96.4	-171.7	176.7	-178.3	0	110.8
43	R	30.8	Very low	40.6	Very low	247 Å²	247	140 Å²	140	93%	0.932	74%	0.74	S	S	*	*			trans	175.4	128.4	148.7	-103.8	176.9	177.5	-175.1	-0.6	107.8
44	G	27.5	Very low	38.7	Very low	72 Å²	72	142.3 Å²	142.3	74%	0.742	76%	0.76	S	S	*	*			cis	-173.3	142.2	-4.6	0	0	0	0	0	106.7
45	L	27.8	Very low	37	Very low	177 Å²	177	147.3 Å²	147.3	93%	0.927	78%	0.782	S	S	*	*			trans	-140.4	112.9	174.8	-92.1	158.9	0	0	0	107.5
46	E	27.5	Very low	35.5	Very low	188 Å²	188	151.5 Å²	151.5	88%	0.879	81%	0.808	S	S	*	*			trans	-92.4	144.3	156.4	-85.1	-172.4	156.4	0	0	108.6
47	P	30.9	Very low	33.8	Very low	130 Å²	130	147.2 Å²	147.2	84%	0.844	81%	0.812	S	S	*	*			trans	-88.3	140.1	-178.1	34.2	-30.8	0	0	0	111.3
48	S	26.1	Very low	32.5	Very low	124 Å²	124	146.4 Å²	146.4	87%	0.867	82%	0.82	S	S	*	*			trans	-111	133.7	161.5	58.4	0	0	0	0	109.5
49	A	27.4	Very low	31.6	Very low	86 Å²	86	145.2 Å²	145.2	71%	0.711	82%	0.821	S	S	*	*			trans	-82.7	160.9	-173.4	0	0	0	0	0	112.9
50	D	32.1	Very low	30.7	Very low	165 Å²	165	140.6 Å²	140.6	88%	0.882	82%	0.815	S	S	*	*			trans	61.5	115.9	159	-61.3	-25.4	0	0	0	119.6
51	A	27.8	Very low	30.3	Very low	98 Å²	98	144.5 Å²	144.5	81%	0.81	83%	0.831	S	S	*	*			trans	-147.5	136.5	147.4	0	0	0	0	0	110.5
52	P	30.5	Very low	29.9	Very low	124 Å²	124	140.1 Å²	140.1	81%	0.805	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-87.2	162	-167.6	35.8	-35.3	0	0	0	113.8
53	E	37	Very low	29.6	Very low	190 Å²	190	134.5 Å²	134.5	89%	0.888	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-52	141.3	171.9	-67.6	-172.8	145.7	0	0	112.8
54	P	32	Very low	29.5	Very low	123 Å²	123	129 Å²	129	80%	0.799	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-102.7	129.6	164.8	18.7	-0	0	0	0	112.6
55	D	26.9	Very low	29.6	Very low	163 Å²	163	131.3 Å²	131.3	87%	0.872	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-57.5	142.8	172.3	-161.9	5	0	0	0	113.3	G57	D55-G57 PolarHBondContact O-N 3.34Å
56	C	29.3	Very low	29.8	Very low	128 Å²	128	134.5 Å²	134.5	87%	0.865	82%	0.822	S	S	*	*			trans	-87.2	102.2	-178.2	-76.1	0	0	0	0	110.8
57	G	27.6	Very low	30.1	Very low	70 Å²	70	133.5 Å²	133.5	72%	0.722	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-99.2	127.4	169	0	0	0	0	0	112.6	D55	D55-G57 PolarHBondContact O-N 3.34Å
58	D	30	Very low	30.1	Very low	164 Å²	164	134.8 Å²	134.8	88%	0.877	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-60.2	139.3	175.3	-75.6	-44.4	0	0	0	113
59	P	31.6	Very low	30.3	Very low	113 Å²	113	134.5 Å²	134.5	73%	0.734	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-83.2	152.6	172.7	31.5	-30.2	0	0	0	112.7
60	P	29.9	Very low	30.6	Very low	106 Å²	106	137.8 Å²	137.8	69%	0.688	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-77.4	159.3	-171.1	31.9	-35	0	0	0	113.4	V62	P60-V62 PolarHBondContact O-N 3.12Å
61	P	31.6	Very low	30.4	Very low	133 Å²	133	139 Å²	139	86%	0.864	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-77.9	124.2	-173.8	30.8	-32.3	0	0	0	111.3
62	V	28.9	Very low	30.3	Very low	142 Å²	142	139.7 Å²	139.7	86%	0.861	81%	0.814	S	S	*	*			trans	-117.4	130.2	173.1	-176.7	0	0	0	0	110.2	P60	P60-V62 PolarHBondContact O-N 3.12Å
63	A	27.6	Very low	30.7	Very low	82 Å²	82	140.7 Å²	140.7	68%	0.678	82%	0.817	S	S	*	*			trans	-63.2	156.6	-168.3	0	0	0	0	0	115.2
64	P	29.6	Very low	30.2	Very low	131 Å²	131	139.5 Å²	139.5	85%	0.851	81%	0.812	S	S	*	*			trans	-85.9	122.6	-169.9	28.7	-22.5	0	0	0	112.5
65	S	30.5	Very low	30.1	Very low	120 Å²	120	138.1 Å²	138.1	84%	0.839	81%	0.811	S	S	*	*			trans	-99	105.7	172.1	-68.3	0	0	0	0	111.2
66	R	31.3	Very low	30.5	Very low	244 Å²	244	135.1 Å²	135.1	92%	0.921	81%	0.809	S	S	*	*			trans	41.4	87.2	153.9	-65.1	-176.1	178.1	177.4	-0.1	117.6	L68	R66-L68 PolarHBondContact O-N 3.31Å
67	L	33	Very low	31	Very low	168 Å²	168	134.2 Å²	134.2	88%	0.88	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-63	119.1	152.3	-75.6	156.1	0	0	0	109.5
68	L	31.3	Very low	32.4	Very low	156 Å²	156	136.1 Å²	136.1	82%	0.817	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-77.2	146.1	152.7	-80.1	165.6	0	0	0	108.1	R66 L70	R66-L68 PolarHBondContact O-N 3.31Å; L68-L70 PolarHBondContact O-N 2.9Å; L68-L70 VanDerWaalsContact O-N 3.16Å
69	P	30.3	Very low	34	Very low	118 Å²	118	130.4 Å²	130.4	77%	0.766	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-64.5	121.9	-170.8	-12.1	25.5	0	0	0	110	K71	P69-K71 PolarHBondContact O-N 2.66Å; P69-K71 VanDerWaalsContact O-N 3.11Å
70	L	33.6	Very low	36.6	Very low	155 Å²	155	132.1 Å²	132.1	81%	0.812	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-48.1	119.4	154.5	-85.1	151.3	0	0	0	106.8	L68 P72	L68-L70 PolarHBondContact O-N 2.9Å; L68-L70 VanDerWaalsContact O-N 3.16Å; L70-P72 VanDerWaalsContact O-N 3.11Å
71	K	27.4	Very low	39.5	Very low	192 Å²	192	127.3 Å²	127.3	84%	0.835	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-48.8	125.3	165.4	-98.1	178.1	175.2	175.2	0	106.3	P69 V73	P69-K71 PolarHBondContact O-N 2.66Å; P69-K71 VanDerWaalsContact O-N 3.11Å; K71-V73 PolarHBondContact O-N 3.31Å; K71-V73 VanDerWaalsContact O-N 3.15Å
72	P	27.2	Very low	42.4	Very low	112 Å²	112	123.9 Å²	123.9	73%	0.727	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-54.6	129.2	177.8	20.5	-29.5	0	0	0	107.5	L70 Q74	L70-P72 VanDerWaalsContact O-N 3.11Å; P72-Q74 VanDerWaalsContact C-N 3.3Å; P72-Q74 PolarHBondContact O-N 3.12Å
73	V	38.1	Very low	45.4	Very low	144 Å²	144	120.4 Å²	120.4	87%	0.873	69%	0.687	S	S	*	*			trans	-52.5	101.5	170.4	174.7	0	0	0	0	106.1	K71 A75	K71-V73 PolarHBondContact O-N 3.31Å; K71-V73 VanDerWaalsContact O-N 3.15Å; V73-A75 PolarHBondContact O-N 3.25Å
74	Q	26.3	Very low	48.7	Very low	165 Å²	165	118.1 Å²	118.1	77%	0.771	66%	0.663	S	S	*	*			trans	-57.3	130	172	-89.2	-179.9	-18.3	0	0	107.1	P72 A76	P72-Q74 VanDerWaalsContact C-N 3.3Å; P72-Q74 PolarHBondContact O-N 3.12Å; Q74-A76 PolarHBondContact O-N 3.26Å
75	A	29.7	Very low	51.9	Low	95 Å²	95	111.9 Å²	111.9	79%	0.785	62%	0.623	S	S	*	*			trans	-46.4	132.4	169.8	0	0	0	0	0	109.4	V73 T77	V73-A75 PolarHBondContact O-N 3.25Å; A75-T77 PolarHBondContact O-N 3.11Å
76	A	36.8	Very low	55.1	Low	99 Å²	99	106.1 Å²	106.1	82%	0.818	58%	0.583	S	S	*	*			trans	-43	103	-168.2	0	0	0	0	0	113.5	Q74	Q74-A76 PolarHBondContact O-N 3.26Å
77	T	39.6	Very low	58.3	Low	109 Å²	109	94.6 Å²	94.6	67%	0.669	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-52.7	136.8	147.8	23.3	0	0	0	0	107.8	A75 S79	A75-T77 PolarHBondContact O-N 3.11Å; T77-S79 PolarHBondContact O-N 3.37Å
78	P	55.9	Low	61.3	Low	110 Å²	110	86.7 Å²	86.7	71%	0.714	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-53.9	122.1	177.2	21.5	-30.9	0	0	0	108.5	R80	P78-R80 PolarHBondContact O-N 3Å
79	S	63.6	Low	64.3	Low	44 Å²	44	79.4 Å²	79.4	31%	0.308	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-49.3	120.6	-177.1	169.9	0	0	0	0	109.7	T77 T81 R130 R305	T77-S79 PolarHBondContact O-N 3.37Å; S79-T81 PolarHBondContact O-N 2.92Å; S79-T81 PolarHBondContact OG-N 3.16Å; S79-T81 PolarHBondContact OG-O 3.39Å; S79-R130 VanDerWaalsContact O-CZ 3.27Å; S79-R130 PolarHBondContact O-NH1 2.94Å; S79-R130 VanDerWaalsContact O-NH1 3.14Å; S79-R130 PolarHBondContact O-NH2 3.39Å; S79-R305 PolarHBondContact OG-NH1 3Å
80	R	86.1	Confident	67.2	Low	150 Å²	150	78.2 Å²	78.2	57%	0.566	44%	0.444	S	S	*	.	S	Bend	trans	-76.2	-4.5	178.9	-60	-177.4	77.8	-172.9	7.3	112.5	P78 R130 G131 A161 Y162	P78-R80 PolarHBondContact O-N 3Å; R80-R130 VanDerWaalsContact O-CG 3.32Å; R80-R130 WeakPolarHBondContact O-CG 3.34Å; R80-G131 PolarHBondContact O-N 3.09Å; R80-A161 PolarHBondContact NH1-O 3.39Å; R80-Y162 HydrophobicContact CB-CD1 3.74Å; R80-Y162 HydrophobicContact CB-CE1 4.14Å
81	T	92	Very high	70	Confident	5 Å²	5	73.1 Å²	73.1	3%	0.031	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-122.9	156.7	178.1	67.4	0	0	0	0	114	S79 R130 G131 Y162 V164 R305	S79-T81 PolarHBondContact O-N 2.92Å; S79-T81 PolarHBondContact OG-N 3.16Å; S79-T81 PolarHBondContact OG-O 3.39Å; T81-R130 PolarHBondContact O-NH2 3.23Å; T81-G131 CarbonylContact C-O 3.52Å; T81-G131 WeakPolarHBondContact CA-O 3.25Å; T81-Y162 HydrophobicContact CG2-CD1 3.98Å; T81-Y162 HydrophobicContact CG2-CG 4.18Å; T81-V164 HydrophobicContact CG2-CG2 4Å; T81-R305 PolarHBondContact O-NH2 3.16Å; T81-R305 PolarHBondContact OG1-NH1 3.11Å; T81-R305 PolarHBondContact OG1-NH2 3.31Å
82	D	91.1	Very high	72.9	Confident	61 Å²	61	68.3 Å²	68.3	33%	0.326	40%	0.404	S	S	.	.			trans	-81.8	146.8	170.1	-59.5	-29.3	0	0	0	111.1	L84 R130 G131 A134 R305	D82-L84 PolarHBondContact O-N 2.89Å; D82-R130 IonicContact OD1-CZ 2.7Å; D82-R130 IonicContact OD1-NE 2.71Å; D82-R130 PolarHBondContact OD1-NE 2.97Å; D82-R130 IonicContact OD1-NH2 3.88Å; D82-G131 PolarHBondContact N-O 2.93Å; D82-A134 WeakPolarHBondContact O-CB 3.48Å; D82-A134 PolarHBondContact O-N 2.93Å; D82-R305 VanDerWaalsContact C-NH2 3.28Å; D82-R305 PolarHBondContact O-NH2 3.41Å
83	P	93.6	Very high	75.9	Confident	68 Å²	68	72.6 Å²	72.6	44%	0.442	41%	0.407	S	S	.	.	S	Bend	trans	-75.9	64.8	179	33.5	-35.8	0	0	0	111	L306	P83-L306 HydrophobicContact CB-CD2 3.93Å
84	L	95.4	Very high	78.5	Confident	34 Å²	34	66.6 Å²	66.6	18%	0.178	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.1	-178.1	-178.1	69.7	0	0	0	109.1	D82 K110 R132 F133 A134	D82-L84 PolarHBondContact O-N 2.89Å; L84-K110 WeakPolarHBondContact CA-O 3.17Å; L84-K110 HydrophobicContact CD1-CB 3.59Å; L84-R132 WeakPolarHBondContact CB-O 3.46Å; L84-F133 HydrophobicContact CB-CD1 4.27Å; L84-F133 HydrophobicContact CD2-CD1 3.7Å; L84-F133 HydrophobicContact CD2-CE1 3.45Å; L84-F133 VanDerWaalsContact CD2-CE1 3.45Å; L84-F133 HydrophobicContact CD2-CZ 4.42Å; L84-F133 HydrophobicContact CG-CD1 3.78Å; L84-F133 HydrophobicContact CG-CE1 3.92Å; L84-F133 CarbonylContact O-C 3.59Å; L84-F133 VanDerWaalsContact O-CA 3.25Å; L84-F133 WeakPolarHBondContact O-CA 3.43Å; L84-A134 PolarHBondContact O-N 3.12Å
85	V	98.1	Very high	81.8	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133.3	177.3	-174.3	0	0	0	0	110.1	V87 L104 K110 Y111 R112 L135 I137 L306	V85-V87 HydrophobicContact CG1-CG2 3.92Å; V85-L104 HydrophobicContact CB-CD1 4.21Å; V85-L104 HydrophobicContact CG1-CD1 4.05Å; V85-L104 HydrophobicContact CG2-CD1 4.47Å; V85-L104 HydrophobicContact CG2-CD2 4.25Å; V85-K110 PolarHBondContact N-O 3.47Å; V85-Y111 CarbonylContact O-C 3.58Å; V85-Y111 WeakPolarHBondContact O-CA 3.21Å; V85-R112 PolarHBondContact O-N 2.9Å; V85-L135 HydrophobicContact CG1-CB 4.26Å; V85-L135 HydrophobicContact CG1-CD2 4.22Å; V85-L135 HydrophobicContact CG1-CG 4.35Å; V85-L135 HydrophobicContact CG2-CB 4.32Å; V85-L135 HydrophobicContact CG2-CD2 4.43Å; V85-I137 HydrophobicContact CG1-CD1 3.63Å; V85-I137 HydrophobicContact CG1-CG1 3.79Å; V85-L306 HydrophobicContact CG2-CD1 3.35Å
86	L	97.6	Very high	84.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.3	168.4	-177.4	58.2	0	0	0	109.4	F88 R112 E114 P123 L125 F133 L135 I136 I137	L86-F88 HydrophobicContact CD2-CD2 4.42Å; L86-F88 HydrophobicContact CD2-CE1 4.48Å; L86-F88 HydrophobicContact CD2-CE2 3.51Å; L86-F88 HydrophobicContact CD2-CZ 3.55Å; L86-F88 HydrophobicContact CG-CD2 4.32Å; L86-F88 HydrophobicContact CG-CE2 3.86Å; L86-F88 HydrophobicContact CG-CZ 4.05Å; L86-R112 HydrophobicContact CD1-CB 4.5Å; L86-E114 HydrophobicContact CD1-CB 4.37Å; L86-E114 HydrophobicContact CD1-CG 3.87Å; L86-P123 HydrophobicContact CD1-CG 4.3Å; L86-P123 HydrophobicContact CD2-CG 3.98Å; L86-L125 HydrophobicContact CD2-CD2 4.14Å; L86-F133 HydrophobicContact CB-CB 4.3Å; L86-F133 HydrophobicContact CB-CD1 3.62Å; L86-F133 HydrophobicContact CB-CD2 4.25Å; L86-F133 HydrophobicContact CB-CE1 3.9Å; L86-F133 HydrophobicContact CB-CG 3.79Å; L86-F133 HydrophobicContact CB-CZ 4.34Å; L86-F133 HydrophobicContact CD1-CE1 4.05Å; L86-F133 HydrophobicContact CD1-CZ 3.99Å; L86-F133 HydrophobicContact CD2-CD2 4.1Å; L86-F133 HydrophobicContact CD2-CE2 4.01Å; L86-F133 HydrophobicContact CD2-CG 4.48Å; L86-F133 HydrophobicContact CD2-CZ 4.3Å; L86-F133 HydrophobicContact CG-CE1 4.43Å; L86-F133 HydrophobicContact CG-CZ 4.45Å; L86-L135 PolarHBondContact N-O 2.83Å; L86-I136 HydrophobicContact CB-CG1 4.32Å; L86-I136 CarbonylContact O-C 3.54Å; L86-I136 WeakPolarHBondContact O-CA 3.33Å; L86-I137 PolarHBondContact O-N 2.96Å
87	V	97.6	Very high	87.8	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	112.6	-179.4	-171.4	0	0	0	0	109.3	V85 V89 V100 L104 R112 T113 E114 I137	V85-V87 HydrophobicContact CG1-CG2 3.92Å; V87-V89 HydrophobicContact CG1-CG1 4.03Å; V87-V100 HydrophobicContact CG1-CG1 4Å; V87-V100 HydrophobicContact CG2-CG1 4.3Å; V87-L104 HydrophobicContact CG2-CD1 3.85Å; V87-R112 PolarHBondContact N-O 2.99Å; V87-T113 CarbonylContact O-C 3.58Å; V87-T113 WeakPolarHBondContact O-CA 3.29Å; V87-E114 PolarHBondContact O-N 3.37Å; V87-I137 HydrophobicContact CG1-CB 4.44Å; V87-I137 HydrophobicContact CG2-CB 4.48Å
88	F	96.4	Very high	90.4	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.009	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	117.2	173.2	-75.7	-65.1	0	0	0	110.6	L86 E114 A116 M122 P123 I136 I137 Y138 E139	L86-F88 HydrophobicContact CD2-CD2 4.42Å; L86-F88 HydrophobicContact CD2-CE1 4.48Å; L86-F88 HydrophobicContact CD2-CE2 3.51Å; L86-F88 HydrophobicContact CD2-CZ 3.55Å; L86-F88 HydrophobicContact CG-CD2 4.32Å; L86-F88 HydrophobicContact CG-CE2 3.86Å; L86-F88 HydrophobicContact CG-CZ 4.05Å; F88-E114 WeakPolarHBondContact CA-O 3.31Å; F88-E114 HydrophobicContact CD1-CB 3.96Å; F88-E114 HydrophobicContact CE1-CB 3.87Å; F88-A116 HydrophobicContact CB-CB 4.22Å; F88-A116 HydrophobicContact CD1-CB 4.43Å; F88-M122 HydrophobicContact CE1-SD 4.26Å; F88-M122 HydrophobicContact CE2-CE 4.11Å; F88-M122 HydrophobicContact CZ-CE 3.61Å; F88-M122 HydrophobicContact CZ-SD 3.74Å; F88-P123 HydrophobicContact CZ-CG 4.26Å; F88-I136 HydrophobicContact CD2-CG2 3.88Å; F88-I136 HydrophobicContact CE2-CG2 3.99Å; F88-I137 PolarHBondContact N-O 2.03Å; F88-Y138 HydrophobicContact CB-CD1 3.63Å; F88-Y138 HydrophobicContact CB-CE1 3.67Å; F88-Y138 HydrophobicContact CB-CG 4.19Å; F88-Y138 HydrophobicContact CD2-CD1 4.18Å; F88-Y138 HydrophobicContact CD2-CD2 4.24Å; F88-Y138 AromaticContact CD2-CE1 3.59Å; F88-Y138 HydrophobicContact CD2-CE1 3.59Å; F88-Y138 AromaticContact CD2-CE2 3.66Å; F88-Y138 HydrophobicContact CD2-CE2 3.66Å; F88-Y138 HydrophobicContact CD2-CG 4.47Å; F88-Y138 AromaticContact CD2-CZ 3.28Å; F88-Y138 WeakPolarHBondContact CD2-OH 3.22Å; F88-Y138 HydrophobicContact CE2-CE1 4.37Å; F88-Y138 HydrophobicContact CE2-CE2 4.18Å; F88-Y138 AromaticContact CE2-CZ 3.75Å; F88-Y138 WeakPolarHBondContact CE2-OH 3.44Å; F88-Y138 HydrophobicContact CG-CD1 4.19Å; F88-Y138 AromaticContact CG-CE1 3.72Å; F88-Y138 HydrophobicContact CG-CE1 3.72Å; F88-Y138 AromaticContact CG-CZ 3.93Å; F88-E139 PolarHBondContact O-N 2.8Å
89	V	95	Very high	92.3	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.018	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	154.1	178.7	-59.5	0	0	0	0	110.9	V87 S91 L92 T113 E114 I115 A116 E139	V87-V89 HydrophobicContact CG1-CG1 4.03Å; V89-S91 WeakPolarHBondContact CB-O 3.23Å; V89-S91 VanDerWaalsContact CG2-O 3.3Å; V89-S91 WeakPolarHBondContact CG2-O 3.4Å; V89-L92 HydrophobicContact CG2-CD2 4.48Å; V89-T113 HydrophobicContact CB-CG2 4.3Å; V89-T113 HydrophobicContact CG1-CG2 3.76Å; V89-T113 HydrophobicContact CG2-CG2 3.51Å; V89-E114 PolarHBondContact N-O 3.36Å; V89-I115 HydrophobicContact CG2-CG1 4.48Å; V89-I115 CarbonylContact O-C 3.54Å; V89-I115 VanDerWaalsContact O-CA 3.27Å; V89-I115 WeakPolarHBondContact O-CA 3.33Å; V89-A116 PolarHBondContact O-N 2.83Å; V89-E139 VanDerWaalsContact CA-CD 3.43Å; V89-E139 WeakPolarHBondContact CA-OE2 3.29Å; V89-E139 VanDerWaalsContact CB-OE2 3.26Å; V89-E139 WeakPolarHBondContact CB-OE2 3.2Å; V89-E139 WeakPolarHBondContact CG1-OE2 3.47Å
90	E	91.1	Very high	93.9	Very high	93 Å²	93	49.1 Å²	49.1	44%	0.435	24%	0.236	S	C	.	.	S	Bend	trans	-78.3	-31.7	172.8	-61.7	-168.9	138.2	0	0	110.9	E139 N140 K143	E90-E139 WeakPolarHBondContact CA-OE1 3.4Å; E90-E139 WeakPolarHBondContact CB-OE1 3.49Å; E90-E139 HydrophobicContact CG-CG 4.06Å; E90-E139 WeakPolarHBondContact CG-OE1 3.39Å; E90-E139 PolarHBondContact N-OE1 3.4Å; E90-N140 HydrophobicContact CG-CB 4.29Å; E90-N140 PolarHBondContact OE1-ND2 3.25Å; E90-K143 WeakPolarHBondContact OE1-CE 3.41Å; E90-K143 IonicContact OE1-NZ 3.61Å
91	S	91.3	Very high	94.5	Very high	49 Å²	49	42.3 Å²	42.3	34%	0.343	21%	0.211	S	C	.	.	S	Bend	trans	-148.8	158.7	169.5	78.2	0	0	0	0	110.4	V89 Y93 S94	V89-S91 WeakPolarHBondContact CB-O 3.23Å; V89-S91 VanDerWaalsContact CG2-O 3.3Å; V89-S91 WeakPolarHBondContact CG2-O 3.4Å; S91-Y93 PolarHBondContact O-N 3.1Å; S91-Y93 PolarHBondContact OG-N 3.48Å; S91-S94 PolarHBondContact O-N 3.17Å; S91-S94 PolarHBondContact O-OG 2.99Å; S91-S94 PolarHBondContact OG-N 2.92Å
92	L	87.9	Confident	94.6	Very high	90 Å²	90	43.2 Å²	43.2	47%	0.471	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-10	175.9	-63.5	176.2	0	0	0	113.6	V89 Q98 T113 I115	V89-L92 HydrophobicContact CG2-CD2 4.48Å; L92-Q98 PolarHBondContact O-NE2 3Å; L92-T113 HydrophobicContact CD2-CG2 4.28Å; L92-I115 HydrophobicContact CD2-CG1 4.45Å; L92-I115 HydrophobicContact CG-CD1 4.37Å; L92-I115 HydrophobicContact CG-CG1 4.47Å
93	Y	90.8	Very high	94.9	Very high	202 Å²	202	41 Å²	41	79%	0.792	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.5	10.5	-176.6	-52.3	-75.4	0	0	0	112.8	S91 Q95	S91-Y93 PolarHBondContact O-N 3.1Å; S91-Y93 PolarHBondContact OG-N 3.48Å; Y93-Q95 PolarHBondContact O-N 3.2Å
94	S	93.7	Very high	95.1	Very high	18 Å²	18	37.8 Å²	37.8	13%	0.126	19%	0.186	C	C	.	.			trans	-61.1	133.8	176.7	59.2	0	0	0	0	110.2	S91 L96 G97 Q98 E139	S91-S94 PolarHBondContact O-N 3.17Å; S91-S94 PolarHBondContact O-OG 2.99Å; S91-S94 PolarHBondContact OG-N 2.92Å; S94-L96 PolarHBondContact O-N 3.17Å; S94-G97 PolarHBondContact O-N 3.39Å; S94-G97 WeakPolarHBondContact OG-CA 3.4Å; S94-G97 PolarHBondContact OG-N 2.89Å; S94-Q98 VanDerWaalsContact O-CG 3.3Å; S94-Q98 WeakPolarHBondContact O-CG 3.31Å; S94-Q98 PolarHBondContact O-N 2.99Å; S94-E139 VanDerWaalsContact CB-OE1 3.23Å; S94-E139 WeakPolarHBondContact CB-OE1 3.5Å; S94-E139 VanDerWaalsContact CB-OE2 3.31Å; S94-E139 WeakPolarHBondContact CB-OE2 3.41Å; S94-E139 VanDerWaalsContact OG-CD 3.3Å; S94-E139 PolarHBondContact OG-OE1 3.21Å; S94-E139 PolarHBondContact OG-OE2 3.1Å
95	Q	94.7	Very high	95.1	Very high	115 Å²	115	37 Å²	37	54%	0.537	18%	0.182	S	C	.	.	H	α-helix	trans	-58.8	-48.7	-178.3	-179.4	-178.9	-4.3	0	0	111.4	Y93 G97 Q98 E99 N286	Y93-Q95 PolarHBondContact O-N 3.2Å; Q95-G97 PolarHBondContact O-N 3.21Å; Q95-Q98 PolarHBondContact O-N 3.04Å; Q95-E99 VanDerWaalsContact CG-OE1 3.31Å; Q95-E99 WeakPolarHBondContact CG-OE1 3.33Å; Q95-E99 PolarHBondContact NE2-OE1 3.37Å; Q95-E99 WeakPolarHBondContact O-CG 3.49Å; Q95-E99 PolarHBondContact O-N 3.34Å; Q95-N286 PolarHBondContact NE2-OD1 2.96Å
96	L	95.7	Very high	94.9	Very high	9 Å²	9	37.9 Å²	37.9	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-42.8	179.6	176.5	61.5	0	0	0	112	S94 Q98 E99 V100 E139 F169 N284 L285	S94-L96 PolarHBondContact O-N 3.17Å; L96-Q98 VanDerWaalsContact C-N 3.31Å; L96-Q98 PolarHBondContact O-N 2.98Å; L96-E99 PolarHBondContact O-N 3.23Å; L96-V100 HydrophobicContact CD1-CG2 4.2Å; L96-V100 WeakPolarHBondContact O-CG2 3.37Å; L96-V100 PolarHBondContact O-N 2.85Å; L96-E139 HydrophobicContact CD2-CB 3.97Å; L96-E139 WeakPolarHBondContact CD2-O 3.26Å; L96-E139 HydrophobicContact CG-CB 4.25Å; L96-F169 HydrophobicContact CD1-CD1 4.14Å; L96-F169 HydrophobicContact CD1-CE1 4.12Å; L96-F169 HydrophobicContact CD1-CG 4.41Å; L96-F169 HydrophobicContact CD1-CZ 4.34Å; L96-F169 HydrophobicContact CD2-CB 3.6Å; L96-F169 HydrophobicContact CD2-CD1 3.99Å; L96-F169 HydrophobicContact CD2-CD2 3.99Å; L96-F169 HydrophobicContact CD2-CG 3.6Å; L96-N284 HydrophobicContact CD1-CB 4.16Å; L96-L285 HydrophobicContact CD1-CB 4.21Å; L96-L285 HydrophobicContact CD1-CD1 4.06Å; L96-L285 HydrophobicContact CD1-CG 3.76Å
97	G	96	Very high	94.8	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-58.8	-43.3	175.9	0	0	0	0	0	111.9	S94 Q95 V100 V101 E139	S94-G97 PolarHBondContact O-N 3.39Å; S94-G97 WeakPolarHBondContact OG-CA 3.4Å; S94-G97 PolarHBondContact OG-N 2.89Å; Q95-G97 PolarHBondContact O-N 3.21Å; G97-V100 PolarHBondContact O-N 3.11Å; G97-V101 WeakPolarHBondContact O-CB 3.36Å; G97-V101 VanDerWaalsContact O-CG2 3.27Å; G97-V101 WeakPolarHBondContact O-CG2 3.32Å; G97-V101 PolarHBondContact O-N 3.34Å; G97-E139 WeakPolarHBondContact CA-OE2 3.26Å; G97-E139 PolarHBondContact N-OE2 3.49Å
98	Q	95.6	Very high	94.6	Very high	88 Å²	88	40.8 Å²	40.8	41%	0.411	20%	0.199	S	C	.	.	H	α-helix	trans	-66.3	-38	175.7	-69	-64.9	-28.5	0	0	112.8	L92 S94 Q95 L96 V101 A102	L92-Q98 PolarHBondContact O-NE2 3Å; S94-Q98 VanDerWaalsContact O-CG 3.3Å; S94-Q98 WeakPolarHBondContact O-CG 3.31Å; S94-Q98 PolarHBondContact O-N 2.99Å; Q95-Q98 PolarHBondContact O-N 3.04Å; L96-Q98 VanDerWaalsContact C-N 3.31Å; L96-Q98 PolarHBondContact O-N 2.98Å; Q98-V101 PolarHBondContact O-N 3.44Å; Q98-A102 VanDerWaalsContact O-CB 3.27Å; Q98-A102 WeakPolarHBondContact O-CB 3.44Å; Q98-A102 PolarHBondContact O-N 2.83Å
99	E	95.8	Very high	94.6	Very high	40 Å²	40	42.2 Å²	42.2	19%	0.187	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-44.4	175.2	-74.8	171.4	-168.1	0	0	112.1	Q95 L96 A102 I103 L285 N286	Q95-E99 VanDerWaalsContact CG-OE1 3.31Å; Q95-E99 WeakPolarHBondContact CG-OE1 3.33Å; Q95-E99 PolarHBondContact NE2-OE1 3.37Å; Q95-E99 WeakPolarHBondContact O-CG 3.49Å; Q95-E99 PolarHBondContact O-N 3.34Å; L96-E99 PolarHBondContact O-N 3.23Å; E99-A102 PolarHBondContact O-N 3.08Å; E99-I103 WeakPolarHBondContact O-CG1 3.41Å; E99-I103 PolarHBondContact O-N 3.03Å; E99-I103 VanDerWaalsContact O-N 3.09Å; E99-L285 HydrophobicContact CB-CD1 4.33Å; E99-L285 WeakPolarHBondContact OE2-CB 3.42Å; E99-N286 PolarHBondContact OE1-OD1 2.89Å
100	V	97.7	Very high	94.6	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-58.2	-50.2	173.8	165.5	0	0	0	0	110.2	V87 L96 G97 A102 I103 L104 I137 F169 L285 F294	V87-V100 HydrophobicContact CG1-CG1 4Å; V87-V100 HydrophobicContact CG2-CG1 4.3Å; L96-V100 HydrophobicContact CD1-CG2 4.2Å; L96-V100 WeakPolarHBondContact O-CG2 3.37Å; L96-V100 PolarHBondContact O-N 2.85Å; G97-V100 PolarHBondContact O-N 3.11Å; V100-A102 VanDerWaalsContact C-N 3.34Å; V100-A102 PolarHBondContact O-N 3.11Å; V100-I103 PolarHBondContact O-N 2.67Å; V100-L104 HydrophobicContact CG1-CD1 4.11Å; V100-L104 WeakPolarHBondContact O-CG 3.36Å; V100-L104 PolarHBondContact O-N 3.1Å; V100-L104 VanDerWaalsContact O-N 3.11Å; V100-I137 HydrophobicContact CG1-CD1 3.97Å; V100-I137 HydrophobicContact CG1-CG2 4.21Å; V100-F169 HydrophobicContact CG2-CE2 4.02Å; V100-F169 HydrophobicContact CG2-CZ 4.25Å; V100-L285 HydrophobicContact CG2-CD1 3.82Å; V100-F294 HydrophobicContact CG1-CZ 3.99Å; V100-F294 HydrophobicContact CG2-CE2 4.44Å; V100-F294 HydrophobicContact CG2-CZ 4.31Å
101	V	96.8	Very high	94.9	Very high	8 Å²	8	48.6 Å²	48.6	5%	0.048	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-44.3	178.1	165.5	0	0	0	0	111.1	G97 Q98 I103 L104 E105 Y111	G97-V101 WeakPolarHBondContact O-CB 3.36Å; G97-V101 VanDerWaalsContact O-CG2 3.27Å; G97-V101 WeakPolarHBondContact O-CG2 3.32Å; G97-V101 PolarHBondContact O-N 3.34Å; Q98-V101 PolarHBondContact O-N 3.44Å; V101-I103 VanDerWaalsContact C-N 3.31Å; V101-I103 PolarHBondContact O-N 3.33Å; V101-L104 PolarHBondContact O-N 3.03Å; V101-L104 VanDerWaalsContact O-N 3.15Å; V101-E105 HydrophobicContact CG1-CG 4.05Å; V101-E105 WeakPolarHBondContact O-CB 3.17Å; V101-E105 VanDerWaalsContact O-CG 3.31Å; V101-E105 WeakPolarHBondContact O-CG 3.22Å; V101-E105 PolarHBondContact O-N 2.78Å; V101-Y111 HydrophobicContact CB-CE2 4.27Å; V101-Y111 HydrophobicContact CG1-CD2 4.49Å; V101-Y111 HydrophobicContact CG1-CE1 4.16Å; V101-Y111 HydrophobicContact CG1-CE2 3.62Å; V101-Y111 VanDerWaalsContact CG1-CZ 3.45Å; V101-Y111 WeakPolarHBondContact CG1-OH 3.3Å; V101-Y111 HydrophobicContact CG2-CD2 4.01Å; V101-Y111 HydrophobicContact CG2-CE2 3.7Å
102	A	96	Very high	95.1	Very high	23 Å²	23	50.5 Å²	50.5	19%	0.19	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-37.4	179.5	0	0	0	0	0	112.8	Q98 E99 V100 S106	Q98-A102 VanDerWaalsContact O-CB 3.27Å; Q98-A102 WeakPolarHBondContact O-CB 3.44Å; Q98-A102 PolarHBondContact O-N 2.83Å; E99-A102 PolarHBondContact O-N 3.08Å; V100-A102 VanDerWaalsContact C-N 3.34Å; V100-A102 PolarHBondContact O-N 3.11Å; A102-S106 WeakPolarHBondContact O-CB 3.45Å; A102-S106 PolarHBondContact O-N 2.79Å; A102-S106 PolarHBondContact O-OG 2.88Å
103	I	97.1	Very high	95.4	Very high	15 Å²	15	48.1 Å²	48.1	8%	0.077	22%	0.219	C	C	.	.	H	α-helix	trans	-67.3	-43.8	175	-67.3	173.8	0	0	0	111	E99 V100 V101 S106 S107 L285 K291 F294 V295 L520	E99-I103 WeakPolarHBondContact O-CG1 3.41Å; E99-I103 PolarHBondContact O-N 3.03Å; E99-I103 VanDerWaalsContact O-N 3.09Å; V100-I103 PolarHBondContact O-N 2.67Å; V101-I103 VanDerWaalsContact C-N 3.31Å; V101-I103 PolarHBondContact O-N 3.33Å; I103-S106 PolarHBondContact O-N 2.98Å; I103-S107 WeakPolarHBondContact O-CB 3.45Å; I103-S107 PolarHBondContact O-N 3.29Å; I103-S107 PolarHBondContact O-OG 3.04Å; I103-L285 HydrophobicContact CD1-CD1 3.87Å; I103-K291 HydrophobicContact CD1-CB 4.44Å; I103-K291 HydrophobicContact CD1-CG 4.47Å; I103-F294 HydrophobicContact CB-CD1 4.49Å; I103-F294 HydrophobicContact CB-CE1 4.11Å; I103-F294 HydrophobicContact CD1-CD1 3.82Å; I103-F294 HydrophobicContact CD1-CE1 4.15Å; I103-F294 HydrophobicContact CG2-CD1 3.97Å; I103-F294 HydrophobicContact CG2-CE1 3.78Å; I103-V295 HydrophobicContact CG2-CG2 4.23Å; I103-L520 HydrophobicContact CG1-CD1 4.25Å; I103-L520 HydrophobicContact CG2-CD1 4.33Å; I103-L520 HydrophobicContact CG2-CD2 3.88Å
104	L	97.3	Very high	95.5	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-63.8	-43.8	178.2	-64.8	175.5	0	0	0	111.7	V85 V87 V100 V101 S107 R108 F109 Y111 I137	V85-L104 HydrophobicContact CB-CD1 4.21Å; V85-L104 HydrophobicContact CG1-CD1 4.05Å; V85-L104 HydrophobicContact CG2-CD1 4.47Å; V85-L104 HydrophobicContact CG2-CD2 4.25Å; V87-L104 HydrophobicContact CG2-CD1 3.85Å; V100-L104 HydrophobicContact CG1-CD1 4.11Å; V100-L104 WeakPolarHBondContact O-CG 3.36Å; V100-L104 PolarHBondContact O-N 3.1Å; V100-L104 VanDerWaalsContact O-N 3.11Å; V101-L104 PolarHBondContact O-N 3.03Å; V101-L104 VanDerWaalsContact O-N 3.15Å; L104-S107 CarbonylContact O-C 3.56Å; L104-S107 PolarHBondContact O-N 2.94Å; L104-R108 PolarHBondContact O-N 3.17Å; L104-F109 HydrophobicContact CB-CB 4.49Å; L104-F109 HydrophobicContact CD2-CB 4.28Å; L104-F109 HydrophobicContact CD2-CD2 4.06Å; L104-F109 PolarHBondContact O-N 2.88Å; L104-Y111 HydrophobicContact CB-CD1 4.35Å; L104-Y111 HydrophobicContact CD1-CG 4.35Å; L104-I137 HydrophobicContact CD1-CD1 4.38Å
105	E	95.2	Very high	95.4	Very high	18 Å²	18	44.7 Å²	44.7	8%	0.084	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-44.9	176.7	-74.2	175.9	154.2	0	0	112.4	V101 S107 R108 Y111 R468 Y469	V101-E105 HydrophobicContact CG1-CG 4.05Å; V101-E105 WeakPolarHBondContact O-CB 3.17Å; V101-E105 VanDerWaalsContact O-CG 3.31Å; V101-E105 WeakPolarHBondContact O-CG 3.22Å; V101-E105 PolarHBondContact O-N 2.78Å; E105-S107 VanDerWaalsContact C-N 3.25Å; E105-S107 PolarHBondContact O-N 3.29Å; E105-R108 PolarHBondContact O-N 3.45Å; E105-R108 VanDerWaalsContact O-N 3.12Å; E105-R108 PolarHBondContact O-NH1 3.22Å; E105-Y111 HydrophobicContact CG-CD1 4.49Å; E105-Y111 HydrophobicContact CG-CE1 3.56Å; E105-Y111 PolarHBondContact OE1-OH 3.35Å; E105-R468 VanDerWaalsContact OE2-CD 3.31Å; E105-R468 WeakPolarHBondContact OE2-CD 3.22Å; E105-R468 IonicContact OE2-CZ 3.37Å; E105-R468 IonicContact OE2-NE 2.62Å; E105-R468 PolarHBondContact OE2-NE 3.34Å; E105-R468 IonicContact OE2-NH2 3.76Å; E105-Y469 HydrophobicContact CB-CE1 4.47Å; E105-Y469 HydrophobicContact CG-CE1 4.31Å; E105-Y469 PolarHBondContact OE1-OH 2.85Å; E105-Y469 VanDerWaalsContact OE1-OH 3.04Å
106	S	94.7	Very high	94.6	Very high	17 Å²	17	39.8 Å²	39.8	12%	0.119	19%	0.189	C	C	.	.	H	α-helix	trans	-59.3	-41.7	176.4	-58.5	0	0	0	0	110.5	A102 I103 R108 R468	A102-S106 WeakPolarHBondContact O-CB 3.45Å; A102-S106 PolarHBondContact O-N 2.79Å; A102-S106 PolarHBondContact O-OG 2.88Å; I103-S106 PolarHBondContact O-N 2.98Å; S106-R108 PolarHBondContact O-N 2.94Å; S106-R108 PolarHBondContact O-NH1 3.35Å; S106-R468 VanDerWaalsContact OG-CB 3.26Å; S106-R468 WeakPolarHBondContact OG-CB 3.23Å
107	S	94.9	Very high	93.4	Very high	6 Å²	6	40.3 Å²	40.3	4%	0.042	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	1.7	179.1	-50.5	0	0	0	0	114.7	I103 L104 E105 F109	I103-S107 WeakPolarHBondContact O-CB 3.45Å; I103-S107 PolarHBondContact O-N 3.29Å; I103-S107 PolarHBondContact O-OG 3.04Å; L104-S107 CarbonylContact O-C 3.56Å; L104-S107 PolarHBondContact O-N 2.94Å; E105-S107 VanDerWaalsContact C-N 3.25Å; E105-S107 PolarHBondContact O-N 3.29Å; S107-F109 WeakPolarHBondContact O-CD1 3.46Å; S107-F109 VanDerWaalsContact O-CE1 3.29Å; S107-F109 WeakPolarHBondContact O-CE1 3.31Å; S107-F109 PolarHBondContact O-N 2.73Å
108	R	94.1	Very high	91.9	Very high	56 Å²	56	43 Å²	43	21%	0.211	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	23.5	-175.1	-50.2	-62.5	-174.1	-98.7	-3.1	114.3	L104 E105 S106 R468 R470 R471 F574 E577	L104-R108 PolarHBondContact O-N 3.17Å; E105-R108 PolarHBondContact O-N 3.45Å; E105-R108 VanDerWaalsContact O-N 3.12Å; E105-R108 PolarHBondContact O-NH1 3.22Å; S106-R108 PolarHBondContact O-N 2.94Å; S106-R108 PolarHBondContact O-NH1 3.35Å; R108-R468 PolarHBondContact NH1-O 3.03Å; R108-R470 PolarHBondContact NH2-O 3.4Å; R108-R471 VanDerWaalsContact NE-NE 3.15Å; R108-R471 VanDerWaalsContact NH1-CZ 3.31Å; R108-F574 HydrophobicContact CG-CD1 4.42Å; R108-F574 HydrophobicContact CG-CE1 3.86Å; R108-E577 IonicContact NE-OE1 3.64Å; R108-E577 PolarHBondContact NE-OE1 3.15Å
109	F	95.7	Very high	90.2	Very high	32 Å²	32	48.8 Å²	48.8	14%	0.14	25%	0.245	C	C	.	.			trans	-85	129.1	177.8	-60	-20.3	0	0	0	110.3	L104 S107 V298 L306 L308	L104-F109 HydrophobicContact CB-CB 4.49Å; L104-F109 HydrophobicContact CD2-CB 4.28Å; L104-F109 HydrophobicContact CD2-CD2 4.06Å; L104-F109 PolarHBondContact O-N 2.88Å; S107-F109 WeakPolarHBondContact O-CD1 3.46Å; S107-F109 VanDerWaalsContact O-CE1 3.29Å; S107-F109 WeakPolarHBondContact O-CE1 3.31Å; S107-F109 PolarHBondContact O-N 2.73Å; F109-V298 HydrophobicContact CD2-CG1 4.23Å; F109-V298 HydrophobicContact CE2-CG1 4.11Å; F109-L306 HydrophobicContact CB-CD2 4.41Å; F109-L306 HydrophobicContact CD1-CB 4.43Å; F109-L306 HydrophobicContact CD1-CD2 4.04Å; F109-L306 HydrophobicContact CD2-CB 4.06Å; F109-L306 HydrophobicContact CE1-CB 4.4Å; F109-L306 HydrophobicContact CE2-CB 4.01Å; F109-L306 HydrophobicContact CG-CB 4.29Å; F109-L306 HydrophobicContact CG-CD2 4.15Å; F109-L306 HydrophobicContact CZ-CB 4.2Å; F109-L308 HydrophobicContact CE1-CD2 4.36Å; F109-L308 HydrophobicContact CZ-CD2 4.37Å; F109-L308 HydrophobicContact CZ-CG 4.3Å
110	K	95.4	Very high	88.7	Confident	155 Å²	155	48.5 Å²	48.5	67%	0.674	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	138.3	175.8	-63.4	-177.6	-179.5	178.1	0	108.9	L84 V85	L84-K110 WeakPolarHBondContact CA-O 3.17Å; L84-K110 HydrophobicContact CD1-CB 3.59Å; V85-K110 PolarHBondContact N-O 3.47Å
111	Y	96.6	Very high	87.5	Confident	75 Å²	75	55.7 Å²	55.7	29%	0.294	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	164.2	177.1	70	-79.3	0	0	0	111.1	V85 V101 L104 E105	V85-Y111 CarbonylContact O-C 3.58Å; V85-Y111 WeakPolarHBondContact O-CA 3.21Å; V101-Y111 HydrophobicContact CB-CE2 4.27Å; V101-Y111 HydrophobicContact CG1-CD2 4.49Å; V101-Y111 HydrophobicContact CG1-CE1 4.16Å; V101-Y111 HydrophobicContact CG1-CE2 3.62Å; V101-Y111 VanDerWaalsContact CG1-CZ 3.45Å; V101-Y111 WeakPolarHBondContact CG1-OH 3.3Å; V101-Y111 HydrophobicContact CG2-CD2 4.01Å; V101-Y111 HydrophobicContact CG2-CE2 3.7Å; L104-Y111 HydrophobicContact CB-CD1 4.35Å; L104-Y111 HydrophobicContact CD1-CG 4.35Å; E105-Y111 HydrophobicContact CG-CD1 4.49Å; E105-Y111 HydrophobicContact CG-CE1 3.56Å; E105-Y111 PolarHBondContact OE1-OH 3.35Å
112	R	95.2	Very high	86.8	Confident	89 Å²	89	56.2 Å²	56.2	34%	0.336	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.7	169.1	-178.8	175	174.9	169.1	-0.3	108.2	V85 L86 V87 E114 F133	V85-R112 PolarHBondContact O-N 2.9Å; L86-R112 HydrophobicContact CD1-CB 4.5Å; V87-R112 PolarHBondContact N-O 2.99Å; R112-E114 IonicContact CZ-OE1 2.71Å; R112-E114 IonicContact NE-OE1 3.34Å; R112-E114 PolarHBondContact NE-OE1 3.44Å; R112-E114 IonicContact NH2-OE1 3.98Å; R112-E114 PolarHBondContact NH2-OE1 3.43Å; R112-F133 HydrophobicContact CB-CE1 4.11Å
113	T	94.5	Very high	86.4	Confident	41 Å²	41	56 Å²	56	25%	0.252	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	136.1	177	-55.2	0	0	0	0	109.9	V87 V89 L92	V87-T113 CarbonylContact O-C 3.58Å; V87-T113 WeakPolarHBondContact O-CA 3.29Å; V89-T113 HydrophobicContact CB-CG2 4.3Å; V89-T113 HydrophobicContact CG1-CG2 3.76Å; V89-T113 HydrophobicContact CG2-CG2 3.51Å; L92-T113 HydrophobicContact CD2-CG2 4.28Å
114	E	92.6	Very high	86.1	Confident	54 Å²	54	59.9 Å²	59.9	25%	0.252	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	145.3	174.9	-69.2	-65.3	165.5	0	0	109.6	L86 V87 F88 V89 R112 A116 P123	L86-E114 HydrophobicContact CD1-CB 4.37Å; L86-E114 HydrophobicContact CD1-CG 3.87Å; V87-E114 PolarHBondContact O-N 3.37Å; F88-E114 WeakPolarHBondContact CA-O 3.31Å; F88-E114 HydrophobicContact CD1-CB 3.96Å; F88-E114 HydrophobicContact CE1-CB 3.87Å; V89-E114 PolarHBondContact N-O 3.36Å; R112-E114 IonicContact CZ-OE1 2.71Å; R112-E114 IonicContact NE-OE1 3.34Å; R112-E114 PolarHBondContact NE-OE1 3.44Å; R112-E114 IonicContact NH2-OE1 3.98Å; R112-E114 PolarHBondContact NH2-OE1 3.43Å; E114-A116 PolarHBondContact O-N 3.09Å; E114-P123 HydrophobicContact CG-CB 4.37Å; E114-P123 HydrophobicContact CG-CG 4.22Å
115	I	90.8	Very high	85.8	Confident	93 Å²	93	60.4 Å²	60.4	48%	0.477	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	127.8	171.1	-61.8	175.3	0	0	0	107.6	V89 L92 P117	V89-I115 HydrophobicContact CG2-CG1 4.48Å; V89-I115 CarbonylContact O-C 3.54Å; V89-I115 VanDerWaalsContact O-CA 3.27Å; V89-I115 WeakPolarHBondContact O-CA 3.33Å; L92-I115 HydrophobicContact CD2-CG1 4.45Å; L92-I115 HydrophobicContact CG-CD1 4.37Å; L92-I115 HydrophobicContact CG-CG1 4.47Å; I115-P117 WeakPolarHBondContact O-CD 3.48Å; I115-P117 VanDerWaalsContact O-N 3.12Å
116	A	79.8	Confident	85.6	Confident	12 Å²	12	62.2 Å²	62.2	10%	0.099	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-55.4	117.2	-178.8	0	0	0	0	0	110.7	F88 V89 E114 G118 K143	F88-A116 HydrophobicContact CB-CB 4.22Å; F88-A116 HydrophobicContact CD1-CB 4.43Å; V89-A116 PolarHBondContact O-N 2.83Å; E114-A116 PolarHBondContact O-N 3.09Å; A116-G118 PolarHBondContact O-N 3.36Å; A116-K143 HydrophobicContact CB-CB 3.82Å; A116-K143 HydrophobicContact CB-CD 4.32Å; A116-K143 HydrophobicContact CB-CG 3.87Å
117	P	70.5	Confident	85.1	Confident	20 Å²	20	65.9 Å²	65.9	13%	0.13	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-70	123.6	-175.1	25.7	-31.1	0	0	0	110	I115 M122 L147	I115-P117 WeakPolarHBondContact O-CD 3.48Å; I115-P117 VanDerWaalsContact O-N 3.12Å; P117-M122 HydrophobicContact CG-CG 4.32Å; P117-M122 HydrophobicContact CG-SD 3.63Å; P117-L147 HydrophobicContact CG-CD2 4.28Å; P117-L147 WeakPolarHBondContact O-CD2 3.3Å
118	G	63.6	Low	84.5	Confident	59 Å²	59	75.3 Å²	75.3	61%	0.608	39%	0.388	S	S	*	.	S	Bend	trans	-83.8	-47.3	170.8	0	0	0	0	0	112.3	A116	A116-G118 PolarHBondContact O-N 3.36Å
119	K	58.9	Low	83.9	Confident	210 Å²	210	75.3 Å²	75.3	91%	0.913	41%	0.406	S	S	*	.	S	Bend	trans	-145.6	90.5	169	-69.9	-175	-179.5	-179.2	0	106.4
120	G	65.3	Low	83.6	Confident	34 Å²	34	79 Å²	79	35%	0.351	42%	0.419	S	S	.	.	S	Bend	trans	-173.5	168.8	-175.2	0	0	0	0	0	111.5	N151	G120-N151 PolarHBondContact O-ND2 2.81Å
121	D	72.4	Confident	83.5	Confident	151 Å²	151	71.7 Å²	71.7	81%	0.807	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-74.5	132.7	-177	-65.7	-29.5	0	0	0	111.3
122	M	82.4	Confident	83.4	Confident	20 Å²	20	71.2 Å²	71.2	10%	0.099	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-66.3	146.8	170.5	-80.8	-74.8	-71.1	0	0	111.1	F88 P117 L125 N151 L154 L155	F88-M122 HydrophobicContact CE1-SD 4.26Å; F88-M122 HydrophobicContact CE2-CE 4.11Å; F88-M122 HydrophobicContact CZ-CE 3.61Å; F88-M122 HydrophobicContact CZ-SD 3.74Å; P117-M122 HydrophobicContact CG-CG 4.32Å; P117-M122 HydrophobicContact CG-SD 3.63Å; M122-L125 HydrophobicContact CE-CD1 4.47Å; M122-L125 HydrophobicContact CE-CD2 4.35Å; M122-N151 HydrophobicContact CG-CB 4.04Å; M122-N151 WeakPolarHBondContact CG-OD1 3.37Å; M122-L154 HydrophobicContact CB-CD2 4.42Å; M122-L155 HydrophobicContact CE-CB 4.35Å; M122-L155 HydrophobicContact CE-CD1 3.67Å; M122-L155 HydrophobicContact CE-CD2 4.11Å; M122-L155 HydrophobicContact CE-CG 4.27Å
123	P	87.7	Confident	83.4	Confident	18 Å²	18	67 Å²	67	12%	0.117	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-59.8	147.6	172.3	28.6	-36.3	0	0	0	109.9	L86 F88 E114 L125	L86-P123 HydrophobicContact CD1-CG 4.3Å; L86-P123 HydrophobicContact CD2-CG 3.98Å; F88-P123 HydrophobicContact CZ-CG 4.26Å; E114-P123 HydrophobicContact CG-CB 4.37Å; E114-P123 HydrophobicContact CG-CG 4.22Å; P123-L125 WeakPolarHBondContact O-CG 3.45Å; P123-L125 PolarHBondContact O-N 2.88Å
124	T	89.5	Confident	83.6	Confident	97 Å²	97	65.2 Å²	65.2	60%	0.595	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-57.9	116.4	177.4	-38.5	0	0	0	0	109.9	T126 R132	T124-T126 VanDerWaalsContact CG2-O 3.24Å; T124-T126 WeakPolarHBondContact CG2-O 3.42Å; T124-R132 VanDerWaalsContact O-CD 3.27Å; T124-R132 WeakPolarHBondContact O-CD 3.28Å; T124-R132 PolarHBondContact O-NH1 2.84Å
125	L	92.1	Very high	83.8	Confident	11 Å²	11	62.7 Å²	62.7	6%	0.058	35%	0.346	C	S	.	.			trans	-87.1	-19.1	-175.3	-59.5	178.1	0	0	0	113.4	L86 M122 P123 R132 F133 L154 L155 Y158	L86-L125 HydrophobicContact CD2-CD2 4.14Å; M122-L125 HydrophobicContact CE-CD1 4.47Å; M122-L125 HydrophobicContact CE-CD2 4.35Å; P123-L125 WeakPolarHBondContact O-CG 3.45Å; P123-L125 PolarHBondContact O-N 2.88Å; L125-R132 WeakPolarHBondContact O-CB 3.35Å; L125-R132 PolarHBondContact O-N 2.94Å; L125-F133 HydrophobicContact CD2-CD2 4.05Å; L125-F133 HydrophobicContact CD2-CE2 4.06Å; L125-L154 HydrophobicContact CD1-CG 4.37Å; L125-L155 HydrophobicContact CD1-CD1 3.84Å; L125-L155 HydrophobicContact CD2-CD1 4.4Å; L125-Y158 HydrophobicContact CB-CD1 4.5Å; L125-Y158 HydrophobicContact CB-CD2 3.71Å; L125-Y158 HydrophobicContact CB-CE2 3.92Å; L125-Y158 HydrophobicContact CB-CG 4.03Å; L125-Y158 HydrophobicContact CD1-CD1 4.22Å; L125-Y158 HydrophobicContact CD1-CD2 4.37Å; L125-Y158 HydrophobicContact CD1-CG 3.87Å; L125-Y158 WeakPolarHBondContact O-CE2 3.17Å
126	T	90.9	Very high	84.2	Confident	57 Å²	57	58.2 Å²	58.2	35%	0.35	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.5	-179.6	61.1	0	0	0	0	111.4	T124 R130 Y158 Y162	T124-T126 VanDerWaalsContact CG2-O 3.24Å; T124-T126 WeakPolarHBondContact CG2-O 3.42Å; T126-R130 CarbonylContact C-O 3.17Å; T126-R130 WeakPolarHBondContact CA-O 3.43Å; T126-R130 WeakPolarHBondContact CB-O 3.3Å; T126-Y158 HydrophobicContact CG2-CD2 4.04Å; T126-Y158 HydrophobicContact CG2-CE2 4.03Å; T126-Y162 HydrophobicContact CG2-CE2 3.84Å
127	D	83.9	Confident	85.1	Confident	94 Å²	94	57.7 Å²	57.7	50%	0.503	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	124.3	169.6	-178.3	27	0	0	0	108.6	G129 R130 R132	D127-G129 PolarHBondContact O-N 2.97Å; D127-G129 VanDerWaalsContact O-N 3.09Å; D127-R130 PolarHBondContact N-O 2.99Å; D127-R130 WeakPolarHBondContact O-CB 3.28Å; D127-R130 PolarHBondContact O-N 3.17Å; D127-R132 HydrophobicContact CB-CG 4.12Å
128	K	82.3	Confident	86.4	Confident	203 Å²	203	56.8 Å²	56.8	88%	0.883	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	40.6	-179.1	-62.1	171.9	-173.4	177.9	0	114.2	R130	K128-R130 VanDerWaalsContact C-N 3.32Å; K128-R130 PolarHBondContact O-N 2.81Å
129	G	81.8	Confident	87.9	Confident	57 Å²	57	54.7 Å²	54.7	59%	0.588	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	7.4	179.4	0	0	0	0	0	115.6	D127 Y162	D127-G129 PolarHBondContact O-N 2.97Å; D127-G129 VanDerWaalsContact O-N 3.09Å; G129-Y162 PolarHBondContact O-OH 2.69Å
130	R	89.4	Confident	89.6	Confident	110 Å²	110	46.3 Å²	46.3	42%	0.415	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	141.2	174.6	-163.4	-179.9	174.4	77.9	12.9	109.8	S79 R80 T81 D82 T126 D127 K128	S79-R130 VanDerWaalsContact O-CZ 3.27Å; S79-R130 PolarHBondContact O-NH1 2.94Å; S79-R130 VanDerWaalsContact O-NH1 3.14Å; S79-R130 PolarHBondContact O-NH2 3.39Å; R80-R130 VanDerWaalsContact O-CG 3.32Å; R80-R130 WeakPolarHBondContact O-CG 3.34Å; T81-R130 PolarHBondContact O-NH2 3.23Å; D82-R130 IonicContact OD1-CZ 2.7Å; D82-R130 IonicContact OD1-NE 2.71Å; D82-R130 PolarHBondContact OD1-NE 2.97Å; D82-R130 IonicContact OD1-NH2 3.88Å; T126-R130 CarbonylContact C-O 3.17Å; T126-R130 WeakPolarHBondContact CA-O 3.43Å; T126-R130 WeakPolarHBondContact CB-O 3.3Å; D127-R130 PolarHBondContact N-O 2.99Å; D127-R130 WeakPolarHBondContact O-CB 3.28Å; D127-R130 PolarHBondContact O-N 3.17Å; K128-R130 VanDerWaalsContact C-N 3.32Å; K128-R130 PolarHBondContact O-N 2.81Å
131	G	92.9	Very high	91.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	137	176.1	0	0	0	0	0	111.4	R80 T81 D82 Y162	R80-G131 PolarHBondContact O-N 3.09Å; T81-G131 CarbonylContact C-O 3.52Å; T81-G131 WeakPolarHBondContact CA-O 3.25Å; D82-G131 PolarHBondContact N-O 2.93Å; G131-Y162 VanDerWaalsContact N-CE1 3.3Å
132	R	94.5	Very high	92.1	Very high	66 Å²	66	40.6 Å²	40.6	25%	0.249	21%	0.214	C	C	.	.	S	Bend	trans	-85.9	-19.8	-173.7	-68.6	-178.8	66.7	-171.9	14	113.9	L84 T124 L125 D127 Y158	L84-R132 WeakPolarHBondContact CB-O 3.46Å; T124-R132 VanDerWaalsContact O-CD 3.27Å; T124-R132 WeakPolarHBondContact O-CD 3.28Å; T124-R132 PolarHBondContact O-NH1 2.84Å; L125-R132 WeakPolarHBondContact O-CB 3.35Å; L125-R132 PolarHBondContact O-N 2.94Å; D127-R132 HydrophobicContact CB-CG 4.12Å; R132-Y158 PolarHBondContact N-OH 3.23Å
133	F	96.7	Very high	92.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.			trans	-127.4	135.9	-172.4	-54.1	-74.8	0	0	0	111.4	L84 L86 R112 L125 Y158 V164	L84-F133 HydrophobicContact CB-CD1 4.27Å; L84-F133 HydrophobicContact CD2-CD1 3.7Å; L84-F133 HydrophobicContact CD2-CE1 3.45Å; L84-F133 VanDerWaalsContact CD2-CE1 3.45Å; L84-F133 HydrophobicContact CD2-CZ 4.42Å; L84-F133 HydrophobicContact CG-CD1 3.78Å; L84-F133 HydrophobicContact CG-CE1 3.92Å; L84-F133 CarbonylContact O-C 3.59Å; L84-F133 VanDerWaalsContact O-CA 3.25Å; L84-F133 WeakPolarHBondContact O-CA 3.43Å; L86-F133 HydrophobicContact CB-CB 4.3Å; L86-F133 HydrophobicContact CB-CD1 3.62Å; L86-F133 HydrophobicContact CB-CD2 4.25Å; L86-F133 HydrophobicContact CB-CE1 3.9Å; L86-F133 HydrophobicContact CB-CG 3.79Å; L86-F133 HydrophobicContact CB-CZ 4.34Å; L86-F133 HydrophobicContact CD1-CE1 4.05Å; L86-F133 HydrophobicContact CD1-CZ 3.99Å; L86-F133 HydrophobicContact CD2-CD2 4.1Å; L86-F133 HydrophobicContact CD2-CE2 4.01Å; L86-F133 HydrophobicContact CD2-CG 4.48Å; L86-F133 HydrophobicContact CD2-CZ 4.3Å; L86-F133 HydrophobicContact CG-CE1 4.43Å; L86-F133 HydrophobicContact CG-CZ 4.45Å; R112-F133 HydrophobicContact CB-CE1 4.11Å; L125-F133 HydrophobicContact CD2-CD2 4.05Å; L125-F133 HydrophobicContact CD2-CE2 4.06Å; F133-Y158 PolarHBondContact N-OH 3.13Å; F133-Y158 PolarHBondContact O-OH 3.3Å; F133-V164 VanDerWaalsContact O-CG2 3.23Å; F133-V164 WeakPolarHBondContact O-CG2 3.35Å
134	A	97	Very high	92.9	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.033	22%	0.221	C	C	.	.	S	Bend	trans	-92	-19.3	176.2	0	0	0	0	0	113.3	D82 L84 T302	D82-A134 WeakPolarHBondContact O-CB 3.48Å; D82-A134 PolarHBondContact O-N 2.93Å; L84-A134 PolarHBondContact O-N 3.12Å; A134-T302 HydrophobicContact CB-CG2 4.48Å
135	L	98.4	Very high	93.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	144.1	-177.4	-177.3	66.8	0	0	0	109.4	V85 L86 I137 I167 V298 L301 T302	V85-L135 HydrophobicContact CG1-CB 4.26Å; V85-L135 HydrophobicContact CG1-CD2 4.22Å; V85-L135 HydrophobicContact CG1-CG 4.35Å; V85-L135 HydrophobicContact CG2-CB 4.32Å; V85-L135 HydrophobicContact CG2-CD2 4.43Å; L86-L135 PolarHBondContact N-O 2.83Å; L135-I137 HydrophobicContact CD2-CD1 4.06Å; L135-I137 HydrophobicContact CD2-CG1 4.06Å; L135-I137 HydrophobicContact CG-CG1 4.16Å; L135-I167 HydrophobicContact CD1-CD1 4.49Å; L135-I167 HydrophobicContact CD1-CG1 4.31Å; L135-I167 HydrophobicContact CD2-CD1 4.03Å; L135-V298 HydrophobicContact CD2-CB 4.26Å; L135-V298 HydrophobicContact CD2-CG1 4.05Å; L135-V298 HydrophobicContact CD2-CG2 3.94Å; L135-L301 HydrophobicContact CD1-CB 3.73Å; L135-L301 HydrophobicContact CD1-CD1 3.85Å; L135-L301 HydrophobicContact CD1-CG 4.49Å; L135-T302 HydrophobicContact CB-CG2 3.87Å; L135-T302 HydrophobicContact CD1-CG2 4.49Å; L135-T302 HydrophobicContact CD2-CG2 4.32Å; L135-T302 HydrophobicContact CG-CG2 4.47Å
136	I	98.4	Very high	93.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.8	171.4	-61.4	159.1	0	0	0	108.6	L86 F88 Y138 L155 Y158 V164 G165 I166 I167	L86-I136 HydrophobicContact CB-CG1 4.32Å; L86-I136 CarbonylContact O-C 3.54Å; L86-I136 WeakPolarHBondContact O-CA 3.33Å; F88-I136 HydrophobicContact CD2-CG2 3.88Å; F88-I136 HydrophobicContact CE2-CG2 3.99Å; I136-Y138 HydrophobicContact CG2-CD2 3.92Å; I136-Y138 HydrophobicContact CG2-CE2 3.61Å; I136-L155 HydrophobicContact CD1-CD1 3.52Å; I136-L155 HydrophobicContact CD1-CG 4.28Å; I136-Y158 HydrophobicContact CD1-CD1 4.38Å; I136-Y158 HydrophobicContact CD1-CE1 4.47Å; I136-V164 HydrophobicContact CD1-CG1 3.94Å; I136-V164 HydrophobicContact CG1-CG1 4Å; I136-G165 PolarHBondContact N-O 2.87Å; I136-G165 VanDerWaalsContact N-O 3.17Å; I136-I166 HydrophobicContact CB-CG1 4.4Å; I136-I166 CarbonylContact O-C 3.55Å; I136-I166 VanDerWaalsContact O-CA 3.29Å; I136-I166 WeakPolarHBondContact O-CA 3.13Å; I136-I167 PolarHBondContact O-N 3.12Å
137	I	98.6	Very high	93.1	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.7	177.8	-53.7	-177.3	0	0	0	108.5	V85 L86 V87 F88 V100 L104 L135 I167 F169 F294	V85-I137 HydrophobicContact CG1-CD1 3.63Å; V85-I137 HydrophobicContact CG1-CG1 3.79Å; L86-I137 PolarHBondContact O-N 2.96Å; V87-I137 HydrophobicContact CG1-CB 4.44Å; V87-I137 HydrophobicContact CG2-CB 4.48Å; F88-I137 PolarHBondContact N-O 2.03Å; V100-I137 HydrophobicContact CG1-CD1 3.97Å; V100-I137 HydrophobicContact CG1-CG2 4.21Å; L104-I137 HydrophobicContact CD1-CD1 4.38Å; L135-I137 HydrophobicContact CD2-CD1 4.06Å; L135-I137 HydrophobicContact CD2-CG1 4.06Å; L135-I137 HydrophobicContact CG-CG1 4.16Å; I137-I167 CarbonylContact C-O 3.27Å; I137-I167 WeakPolarHBondContact CA-O 3.42Å; I137-I167 HydrophobicContact CD1-CD1 4.43Å; I137-I167 HydrophobicContact CG1-CB 4.19Å; I137-I167 HydrophobicContact CG1-CD1 4.46Å; I137-I167 HydrophobicContact CG2-CB 4.24Å; I137-I167 HydrophobicContact CG2-CG2 4.4Å; I137-F169 HydrophobicContact CG2-CE2 4.11Å; I137-F294 HydrophobicContact CD1-CE2 3.98Å; I137-F294 HydrophobicContact CD1-CZ 3.83Å
138	Y	97.6	Very high	93.4	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.3	170.8	-82.3	-89.7	0	0	0	109.7	F88 I136 N140 K143 Y144 L155 I166 I167 F169	F88-Y138 HydrophobicContact CB-CD1 3.63Å; F88-Y138 HydrophobicContact CB-CE1 3.67Å; F88-Y138 HydrophobicContact CB-CG 4.19Å; F88-Y138 HydrophobicContact CD2-CD1 4.18Å; F88-Y138 HydrophobicContact CD2-CD2 4.24Å; F88-Y138 AromaticContact CD2-CE1 3.59Å; F88-Y138 HydrophobicContact CD2-CE1 3.59Å; F88-Y138 AromaticContact CD2-CE2 3.66Å; F88-Y138 HydrophobicContact CD2-CE2 3.66Å; F88-Y138 HydrophobicContact CD2-CG 4.47Å; F88-Y138 AromaticContact CD2-CZ 3.28Å; F88-Y138 WeakPolarHBondContact CD2-OH 3.22Å; F88-Y138 HydrophobicContact CE2-CE1 4.37Å; F88-Y138 HydrophobicContact CE2-CE2 4.18Å; F88-Y138 AromaticContact CE2-CZ 3.75Å; F88-Y138 WeakPolarHBondContact CE2-OH 3.44Å; F88-Y138 HydrophobicContact CG-CD1 4.19Å; F88-Y138 AromaticContact CG-CE1 3.72Å; F88-Y138 HydrophobicContact CG-CE1 3.72Å; F88-Y138 AromaticContact CG-CZ 3.93Å; I136-Y138 HydrophobicContact CG2-CD2 3.92Å; I136-Y138 HydrophobicContact CG2-CE2 3.61Å; Y138-N140 PolarHBondContact O-N 3.04Å; Y138-K143 HydrophobicContact CD1-CB 4.07Å; Y138-K143 HydrophobicContact CE1-CB 4.21Å; Y138-Y144 HydrophobicContact CD2-CG 4.45Å; Y138-Y144 AromaticContact CE2-CD2 3.9Å; Y138-Y144 HydrophobicContact CE2-CD2 3.9Å; Y138-Y144 HydrophobicContact CE2-CG 4.12Å; Y138-L155 HydrophobicContact CE2-CD2 4.16Å; Y138-L155 VanDerWaalsContact OH-CD2 3.24Å; Y138-L155 WeakPolarHBondContact OH-CD2 3.44Å; Y138-I166 HydrophobicContact CD2-CG2 4.06Å; Y138-I167 PolarHBondContact N-O 2.92Å; Y138-F169 WeakPolarHBondContact O-CD2 3.47Å; Y138-F169 PolarHBondContact O-N 3.14Å
139	E	95.8	Very high	93.8	Very high	14 Å²	14	33 Å²	33	7%	0.065	18%	0.184	C	C	.	.	S	Bend	trans	-64.7	-19.7	171.6	82.6	173.4	-156	0	0	112.7	F88 V89 E90 S94 L96 G97 F169	F88-E139 PolarHBondContact O-N 2.8Å; V89-E139 VanDerWaalsContact CA-CD 3.43Å; V89-E139 WeakPolarHBondContact CA-OE2 3.29Å; V89-E139 VanDerWaalsContact CB-OE2 3.26Å; V89-E139 WeakPolarHBondContact CB-OE2 3.2Å; V89-E139 WeakPolarHBondContact CG1-OE2 3.47Å; E90-E139 WeakPolarHBondContact CA-OE1 3.4Å; E90-E139 WeakPolarHBondContact CB-OE1 3.49Å; E90-E139 HydrophobicContact CG-CG 4.06Å; E90-E139 WeakPolarHBondContact CG-OE1 3.39Å; E90-E139 PolarHBondContact N-OE1 3.4Å; S94-E139 VanDerWaalsContact CB-OE1 3.23Å; S94-E139 WeakPolarHBondContact CB-OE1 3.5Å; S94-E139 VanDerWaalsContact CB-OE2 3.31Å; S94-E139 WeakPolarHBondContact CB-OE2 3.41Å; S94-E139 VanDerWaalsContact OG-CD 3.3Å; S94-E139 PolarHBondContact OG-OE1 3.21Å; S94-E139 PolarHBondContact OG-OE2 3.1Å; L96-E139 HydrophobicContact CD2-CB 3.97Å; L96-E139 WeakPolarHBondContact CD2-O 3.26Å; L96-E139 HydrophobicContact CG-CB 4.25Å; G97-E139 WeakPolarHBondContact CA-OE2 3.26Å; G97-E139 PolarHBondContact N-OE2 3.49Å; E139-F169 WeakPolarHBondContact O-CB 3.3Å
140	N	94.8	Very high	94.2	Very high	34 Å²	34	37.4 Å²	37.4	18%	0.182	18%	0.183	C	C	.	.	S	Bend	trans	-140	108.4	171.2	-176.2	-6.3	0	0	0	109.4	E90 Y138 L142 K143 F169	E90-N140 HydrophobicContact CG-CB 4.29Å; E90-N140 PolarHBondContact OE1-ND2 3.25Å; Y138-N140 PolarHBondContact O-N 3.04Å; N140-L142 PolarHBondContact O-N 3.32Å; N140-L142 VanDerWaalsContact O-N 3.12Å; N140-L142 VanDerWaalsContact OD1-CB 3.25Å; N140-L142 WeakPolarHBondContact OD1-CB 3.41Å; N140-L142 PolarHBondContact OD1-N 2.9Å; N140-K143 HydrophobicContact CB-CG 4.19Å; N140-K143 WeakPolarHBondContact O-CB 3Å; N140-K143 PolarHBondContact O-N 3.01Å; N140-F169 CarbonylContact C-O 3.54Å; N140-F169 WeakPolarHBondContact CA-O 3.48Å
141	I	95.4	Very high	94.3	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-22.5	-179.6	-167	61	0	0	0	112.3	K143 Y144 V145 F169 F170 L280	I141-K143 PolarHBondContact O-N 3.02Å; I141-Y144 HydrophobicContact CD1-CD1 3.73Å; I141-Y144 HydrophobicContact CD1-CG 4.29Å; I141-Y144 WeakPolarHBondContact O-CB 3.05Å; I141-Y144 PolarHBondContact O-N 2.98Å; I141-Y144 VanDerWaalsContact O-N 3.09Å; I141-V145 PolarHBondContact O-N 2.91Å; I141-F169 PolarHBondContact N-O 2.75Å; I141-F170 HydrophobicContact CG2-CB 3.86Å; I141-F170 HydrophobicContact CG2-CD2 4.04Å; I141-F170 HydrophobicContact CG2-CG 4.42Å; I141-L280 HydrophobicContact CD1-CD2 4.04Å; I141-L280 HydrophobicContact CG1-CD2 4.03Å
142	L	94.1	Very high	94.3	Very high	60 Å²	60	34.4 Å²	34.4	31%	0.314	17%	0.173	S	C	.	.	H	α-helix	trans	-62.2	-27.7	174.4	-66.3	-170.8	0	0	0	112.6	N140 Y144 V145 N146 F170 L182	N140-L142 PolarHBondContact O-N 3.32Å; N140-L142 VanDerWaalsContact O-N 3.12Å; N140-L142 VanDerWaalsContact OD1-CB 3.25Å; N140-L142 WeakPolarHBondContact OD1-CB 3.41Å; N140-L142 PolarHBondContact OD1-N 2.9Å; L142-Y144 VanDerWaalsContact C-N 3.31Å; L142-V145 HydrophobicContact CD2-CG2 4.14Å; L142-N146 VanDerWaalsContact O-CB 3.23Å; L142-N146 WeakPolarHBondContact O-CB 3.37Å; L142-N146 PolarHBondContact O-N 2.81Å; L142-N146 PolarHBondContact O-ND2 2.96Å; L142-F170 HydrophobicContact CD1-CD2 4.4Å; L142-F170 HydrophobicContact CD1-CE2 3.72Å; L142-F170 HydrophobicContact CD2-CD2 4.09Å; L142-F170 HydrophobicContact CD2-CE2 3.76Å; L142-F170 HydrophobicContact CG-CD2 3.86Å; L142-F170 HydrophobicContact CG-CE2 3.61Å; L142-L182 HydrophobicContact CD2-CD1 4.07Å
143	K	93.6	Very high	94.3	Very high	84 Å²	84	36.1 Å²	36.1	37%	0.365	18%	0.183	S	C	.	.	H	α-helix	trans	-66.8	-36.7	175.7	-61.9	-63.1	-177.4	-178.8	0	111.4	E90 A116 Y138 N140 I141 L147	E90-K143 WeakPolarHBondContact OE1-CE 3.41Å; E90-K143 IonicContact OE1-NZ 3.61Å; A116-K143 HydrophobicContact CB-CB 3.82Å; A116-K143 HydrophobicContact CB-CD 4.32Å; A116-K143 HydrophobicContact CB-CG 3.87Å; Y138-K143 HydrophobicContact CD1-CB 4.07Å; Y138-K143 HydrophobicContact CE1-CB 4.21Å; N140-K143 HydrophobicContact CB-CG 4.19Å; N140-K143 WeakPolarHBondContact O-CB 3Å; N140-K143 PolarHBondContact O-N 3.01Å; I141-K143 PolarHBondContact O-N 3.02Å; K143-L147 WeakPolarHBondContact O-CG 3.38Å; K143-L147 PolarHBondContact O-N 3.21Å
144	Y	93.6	Very high	94.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70	-42.2	176.3	171.5	-115.4	0	0	0	112.9	Y138 I141 L142 N146 L147 R152 L155 D156 I166 F185 R278	Y138-Y144 HydrophobicContact CD2-CG 4.45Å; Y138-Y144 AromaticContact CE2-CD2 3.9Å; Y138-Y144 HydrophobicContact CE2-CD2 3.9Å; Y138-Y144 HydrophobicContact CE2-CG 4.12Å; I141-Y144 HydrophobicContact CD1-CD1 3.73Å; I141-Y144 HydrophobicContact CD1-CG 4.29Å; I141-Y144 WeakPolarHBondContact O-CB 3.05Å; I141-Y144 PolarHBondContact O-N 2.98Å; I141-Y144 VanDerWaalsContact O-N 3.09Å; L142-Y144 VanDerWaalsContact C-N 3.31Å; Y144-N146 VanDerWaalsContact C-N 3.32Å; Y144-N146 PolarHBondContact O-N 2.77Å; Y144-L147 HydrophobicContact CD2-CD1 4.18Å; Y144-R152 VanDerWaalsContact CE1-CZ 3.42Å; Y144-R152 VanDerWaalsContact CE1-NH1 3.28Å; Y144-R152 PolarHBondContact O-NH1 3.48Å; Y144-R152 PolarHBondContact OH-NE 3.06Å; Y144-R152 PolarHBondContact OH-NH2 3.07Å; Y144-L155 HydrophobicContact CD2-CD2 3.88Å; Y144-L155 HydrophobicContact CE2-CD2 3.88Å; Y144-D156 WeakPolarHBondContact CE2-OD1 3.42Å; Y144-D156 PolarHBondContact OH-OD1 2.71Å; Y144-I166 HydrophobicContact CD2-CD1 4.37Å; Y144-I166 HydrophobicContact CE1-CD1 4.07Å; Y144-I166 HydrophobicContact CE2-CD1 3.77Å; Y144-F185 HydrophobicContact CE1-CE2 4.39Å; Y144-F185 AromaticContact CE1-CZ 3.97Å; Y144-F185 HydrophobicContact CE1-CZ 3.97Å; Y144-R278 PolarHBondContact OH-NH2 3.42Å
145	V	93.1	Very high	94	Very high	11 Å²	11	39.2 Å²	39.2	7%	0.067	20%	0.199	C	C	.	.	H	α-helix	trans	-77	-19.1	-179.5	-48.3	0	0	0	0	113.7	I141 L142 L182 K183 F185	I141-V145 PolarHBondContact O-N 2.91Å; L142-V145 HydrophobicContact CD2-CG2 4.14Å; V145-L182 HydrophobicContact CB-CD1 4.48Å; V145-L182 HydrophobicContact CG1-CD1 3.82Å; V145-L182 HydrophobicContact CG1-CD2 4.32Å; V145-L182 HydrophobicContact CG1-CG 4.06Å; V145-L182 HydrophobicContact CG2-CD1 4.07Å; V145-K183 HydrophobicContact CG2-CB 4.39Å; V145-F185 HydrophobicContact CG1-CD2 4.17Å; V145-F185 HydrophobicContact CG1-CE2 3.75Å
146	N	92.4	Very high	93.9	Very high	89 Å²	89	40.8 Å²	40.8	48%	0.476	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	10.8	177.6	-63.9	-49.4	0	0	0	113.8	L142 Y144	L142-N146 VanDerWaalsContact O-CB 3.23Å; L142-N146 WeakPolarHBondContact O-CB 3.37Å; L142-N146 PolarHBondContact O-N 2.81Å; L142-N146 PolarHBondContact O-ND2 2.96Å; Y144-N146 VanDerWaalsContact C-N 3.32Å; Y144-N146 PolarHBondContact O-N 2.77Å
147	L	91.1	Very high	93.8	Very high	15 Å²	15	46.9 Å²	46.9	8%	0.079	23%	0.234	C	C	.	.	S	Bend	trans	-54.1	148.2	165.9	-74.9	174.8	0	0	0	109.9	P117 K143 Y144 N151 R152 L155	P117-L147 HydrophobicContact CG-CD2 4.28Å; P117-L147 WeakPolarHBondContact O-CD2 3.3Å; K143-L147 WeakPolarHBondContact O-CG 3.38Å; K143-L147 PolarHBondContact O-N 3.21Å; Y144-L147 HydrophobicContact CD2-CD1 4.18Å; L147-N151 HydrophobicContact CD2-CB 4.42Å; L147-R152 HydrophobicContact CB-CB 3.96Å; L147-L155 HydrophobicContact CD1-CD2 4.17Å
148	D	90.5	Very high	93.7	Very high	56 Å²	56	47.3 Å²	47.3	30%	0.299	24%	0.235	S	C	.	.			trans	-61.8	156.8	167.4	67	88.2	0	0	0	110.7	W150 N151 R152	D148-W150 PolarHBondContact O-N 3.45Å; D148-W150 PolarHBondContact OD1-N 3.3Å; D148-N151 PolarHBondContact O-N 3.22Å; D148-N151 PolarHBondContact OD1-N 3.02Å; D148-N151 WeakPolarHBondContact OD2-CB 3.39Å; D148-N151 PolarHBondContact OD2-ND2 2.85Å; D148-R152 VanDerWaalsContact O-CB 3.29Å; D148-R152 WeakPolarHBondContact O-CB 3.45Å; D148-R152 PolarHBondContact O-N 3.48Å
149	A	90	Very high	93.7	Very high	85 Å²	85	47.3 Å²	47.3	70%	0.702	24%	0.236	S	C	*	.	H	α-helix	trans	-57.5	-37	-171.2	0	0	0	0	0	113.2	E153	A149-E153 VanDerWaalsContact O-CB 3.28Å; A149-E153 WeakPolarHBondContact O-CB 3.43Å; A149-E153 PolarHBondContact O-N 3.09Å
150	W	90.5	Very high	93.7	Very high	149 Å²	149	50.7 Å²	50.7	56%	0.564	26%	0.257	S	S	*	.	H	α-helix	trans	-71.4	-50.6	-177.7	178.6	82.3	0	0	0	111.6	D148 R152 E153 L154	D148-W150 PolarHBondContact O-N 3.45Å; D148-W150 PolarHBondContact OD1-N 3.3Å; W150-R152 VanDerWaalsContact C-N 3.28Å; W150-R152 PolarHBondContact O-N 3.49Å; W150-E153 PolarHBondContact O-N 3.43Å; W150-L154 HydrophobicContact CH2-CD2 3.89Å; W150-L154 HydrophobicContact CZ2-CD2 4.24Å; W150-L154 HydrophobicContact CZ3-CD2 4.25Å; W150-L154 WeakPolarHBondContact O-CB 3.46Å; W150-L154 PolarHBondContact O-N 3.02Å
151	N	91.4	Very high	93.7	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-62.1	-38.3	177.1	-84.3	-39.6	0	0	0	111.8	G120 M122 L147 D148 L154 L155	G120-N151 PolarHBondContact O-ND2 2.81Å; M122-N151 HydrophobicContact CG-CB 4.04Å; M122-N151 WeakPolarHBondContact CG-OD1 3.37Å; L147-N151 HydrophobicContact CD2-CB 4.42Å; D148-N151 PolarHBondContact O-N 3.22Å; D148-N151 PolarHBondContact OD1-N 3.02Å; D148-N151 WeakPolarHBondContact OD2-CB 3.39Å; D148-N151 PolarHBondContact OD2-ND2 2.85Å; N151-L154 PolarHBondContact O-N 3.5Å; N151-L155 WeakPolarHBondContact O-CB 3.34Å; N151-L155 PolarHBondContact O-N 2.75Å
152	R	92.7	Very high	93.7	Very high	44 Å²	44	53.5 Å²	53.5	17%	0.166	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-49.4	176.8	-179.1	56.7	-172.6	-109.2	-9.5	111.6	Y144 L147 D148 W150 L154 L155 D156 F185	Y144-R152 VanDerWaalsContact CE1-CZ 3.42Å; Y144-R152 VanDerWaalsContact CE1-NH1 3.28Å; Y144-R152 PolarHBondContact O-NH1 3.48Å; Y144-R152 PolarHBondContact OH-NE 3.06Å; Y144-R152 PolarHBondContact OH-NH2 3.07Å; L147-R152 HydrophobicContact CB-CB 3.96Å; D148-R152 VanDerWaalsContact O-CB 3.29Å; D148-R152 WeakPolarHBondContact O-CB 3.45Å; D148-R152 PolarHBondContact O-N 3.48Å; W150-R152 VanDerWaalsContact C-N 3.28Å; W150-R152 PolarHBondContact O-N 3.49Å; R152-L154 VanDerWaalsContact C-N 3.33Å; R152-L154 PolarHBondContact O-N 3.21Å; R152-L155 PolarHBondContact O-N 3.08Å; R152-D156 IonicContact CZ-OD1 3.39Å; R152-D156 IonicContact CZ-OD2 2.84Å; R152-D156 VanDerWaalsContact NE-CG 3.3Å; R152-D156 IonicContact NE-OD1 3.89Å; R152-D156 PolarHBondContact NE-OD1 3.38Å; R152-D156 VanDerWaalsContact NE-OD1 3.14Å; R152-D156 IonicContact NE-OD2 2.6Å; R152-D156 PolarHBondContact NE-OD2 2.79Å; R152-D156 IonicContact NH2-OD2 3.6Å; R152-D156 PolarHBondContact NH2-OD2 3.41Å; R152-D156 WeakPolarHBondContact O-CB 3.22Å; R152-D156 PolarHBondContact O-N 3.27Å; R152-F185 VanDerWaalsContact NH2-CZ 3.31Å
153	E	93.6	Very high	93.7	Very high	101 Å²	101	53.6 Å²	53.6	47%	0.472	29%	0.292	S	S	.	.	H	α-helix	trans	-62	-41	178.4	-173.7	-176.6	178.3	0	0	111.7	A149 W150 K157	A149-E153 VanDerWaalsContact O-CB 3.28Å; A149-E153 WeakPolarHBondContact O-CB 3.43Å; A149-E153 PolarHBondContact O-N 3.09Å; W150-E153 PolarHBondContact O-N 3.43Å; E153-K157 HydrophobicContact CG-CD 4.18Å; E153-K157 WeakPolarHBondContact O-CB 3.22Å; E153-K157 VanDerWaalsContact O-CG 3.31Å; E153-K157 WeakPolarHBondContact O-CG 3.42Å; E153-K157 PolarHBondContact O-N 3.45Å; E153-K157 WeakPolarHBondContact OE1-CE 3.22Å; E153-K157 IonicContact OE1-NZ 3.71Å; E153-K157 PolarHBondContact OE1-NZ 3.41Å
154	L	93.6	Very high	93.9	Very high	69 Å²	69	49.8 Å²	49.8	36%	0.361	28%	0.275	S	S	.	.	H	α-helix	trans	-59.8	-47.4	176.5	178.6	64.3	0	0	0	111.7	M122 L125 W150 N151 R152 Y158	M122-L154 HydrophobicContact CB-CD2 4.42Å; L125-L154 HydrophobicContact CD1-CG 4.37Å; W150-L154 HydrophobicContact CH2-CD2 3.89Å; W150-L154 HydrophobicContact CZ2-CD2 4.24Å; W150-L154 HydrophobicContact CZ3-CD2 4.25Å; W150-L154 WeakPolarHBondContact O-CB 3.46Å; W150-L154 PolarHBondContact O-N 3.02Å; N151-L154 PolarHBondContact O-N 3.5Å; R152-L154 VanDerWaalsContact C-N 3.33Å; R152-L154 PolarHBondContact O-N 3.21Å; L154-Y158 WeakPolarHBondContact O-CB 3.5Å; L154-Y158 PolarHBondContact O-N 2.62Å
155	L	94.9	Very high	94.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.7	-44.1	-179.8	-169.1	60.9	0	0	0	111.8	M122 L125 I136 Y138 Y144 L147 N151 R152 Y158 C159	M122-L155 HydrophobicContact CE-CB 4.35Å; M122-L155 HydrophobicContact CE-CD1 3.67Å; M122-L155 HydrophobicContact CE-CD2 4.11Å; M122-L155 HydrophobicContact CE-CG 4.27Å; L125-L155 HydrophobicContact CD1-CD1 3.84Å; L125-L155 HydrophobicContact CD2-CD1 4.4Å; I136-L155 HydrophobicContact CD1-CD1 3.52Å; I136-L155 HydrophobicContact CD1-CG 4.28Å; Y138-L155 HydrophobicContact CE2-CD2 4.16Å; Y138-L155 VanDerWaalsContact OH-CD2 3.24Å; Y138-L155 WeakPolarHBondContact OH-CD2 3.44Å; Y144-L155 HydrophobicContact CD2-CD2 3.88Å; Y144-L155 HydrophobicContact CE2-CD2 3.88Å; L147-L155 HydrophobicContact CD1-CD2 4.17Å; N151-L155 WeakPolarHBondContact O-CB 3.34Å; N151-L155 PolarHBondContact O-N 2.75Å; R152-L155 PolarHBondContact O-N 3.08Å; L155-Y158 WeakPolarHBondContact O-CB 3.43Å; L155-Y158 PolarHBondContact O-N 2.89Å; L155-C159 PolarHBondContact O-N 3.28Å; L155-C159 PolarHBondContact O-SG 2.62Å
156	D	96.4	Very high	94.4	Very high	34 Å²	34	49.4 Å²	49.4	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-43	179.7	-72.6	-3.8	0	0	0	111	Y144 R152 Y158 C159 V160 I276	Y144-D156 WeakPolarHBondContact CE2-OD1 3.42Å; Y144-D156 PolarHBondContact OH-OD1 2.71Å; R152-D156 IonicContact CZ-OD1 3.39Å; R152-D156 IonicContact CZ-OD2 2.84Å; R152-D156 VanDerWaalsContact NE-CG 3.3Å; R152-D156 IonicContact NE-OD1 3.89Å; R152-D156 PolarHBondContact NE-OD1 3.38Å; R152-D156 VanDerWaalsContact NE-OD1 3.14Å; R152-D156 IonicContact NE-OD2 2.6Å; R152-D156 PolarHBondContact NE-OD2 2.79Å; R152-D156 IonicContact NH2-OD2 3.6Å; R152-D156 PolarHBondContact NH2-OD2 3.41Å; R152-D156 WeakPolarHBondContact O-CB 3.22Å; R152-D156 PolarHBondContact O-N 3.27Å; D156-Y158 VanDerWaalsContact C-N 3.3Å; D156-Y158 PolarHBondContact O-N 3.06Å; D156-C159 PolarHBondContact O-N 2.7Å; D156-V160 WeakPolarHBondContact O-CG2 3.47Å; D156-V160 PolarHBondContact O-N 3.2Å; D156-I276 HydrophobicContact CB-CD1 3.89Å
157	K	96.1	Very high	94.7	Very high	127 Å²	127	45.1 Å²	45.1	55%	0.552	25%	0.251	S	S	*	.	H	α-helix	trans	-59.4	-40.9	172.8	-78.3	178.5	-176.9	171.2	0	112	E153 A161	E153-K157 HydrophobicContact CG-CD 4.18Å; E153-K157 WeakPolarHBondContact O-CB 3.22Å; E153-K157 VanDerWaalsContact O-CG 3.31Å; E153-K157 WeakPolarHBondContact O-CG 3.42Å; E153-K157 PolarHBondContact O-N 3.45Å; E153-K157 WeakPolarHBondContact OE1-CE 3.22Å; E153-K157 IonicContact OE1-NZ 3.71Å; E153-K157 PolarHBondContact OE1-NZ 3.41Å; K157-A161 WeakPolarHBondContact O-CB 3.43Å; K157-A161 PolarHBondContact O-N 3.06Å
158	Y	96.4	Very high	95	Very high	10 Å²	10	44.4 Å²	44.4	4%	0.039	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-49.4	175.2	174.9	-97.6	0	0	0	111.3	L125 T126 R132 F133 I136 L154 L155 D156 V160 A161 Y162 V164	L125-Y158 HydrophobicContact CB-CD1 4.5Å; L125-Y158 HydrophobicContact CB-CD2 3.71Å; L125-Y158 HydrophobicContact CB-CE2 3.92Å; L125-Y158 HydrophobicContact CB-CG 4.03Å; L125-Y158 HydrophobicContact CD1-CD1 4.22Å; L125-Y158 HydrophobicContact CD1-CD2 4.37Å; L125-Y158 HydrophobicContact CD1-CG 3.87Å; L125-Y158 WeakPolarHBondContact O-CE2 3.17Å; T126-Y158 HydrophobicContact CG2-CD2 4.04Å; T126-Y158 HydrophobicContact CG2-CE2 4.03Å; R132-Y158 PolarHBondContact N-OH 3.23Å; F133-Y158 PolarHBondContact N-OH 3.13Å; F133-Y158 PolarHBondContact O-OH 3.3Å; I136-Y158 HydrophobicContact CD1-CD1 4.38Å; I136-Y158 HydrophobicContact CD1-CE1 4.47Å; L154-Y158 WeakPolarHBondContact O-CB 3.5Å; L154-Y158 PolarHBondContact O-N 2.62Å; L155-Y158 WeakPolarHBondContact O-CB 3.43Å; L155-Y158 PolarHBondContact O-N 2.89Å; D156-Y158 VanDerWaalsContact C-N 3.3Å; D156-Y158 PolarHBondContact O-N 3.06Å; Y158-V160 PolarHBondContact O-N 3.41Å; Y158-A161 PolarHBondContact O-N 3.37Å; Y158-Y162 AromaticContact CD2-CD2 3.48Å; Y158-Y162 HydrophobicContact CD2-CD2 3.48Å; Y158-Y162 VanDerWaalsContact CD2-CD2 3.48Å; Y158-Y162 AromaticContact CD2-CE2 3.8Å; Y158-Y162 HydrophobicContact CD2-CE2 3.8Å; Y158-Y162 HydrophobicContact CD2-CG 4.32Å; Y158-Y162 AromaticContact CE2-CD2 3.6Å; Y158-Y162 HydrophobicContact CE2-CD2 3.6Å; Y158-Y162 AromaticContact CE2-CE2 3.98Å; Y158-Y162 HydrophobicContact CE2-CE2 3.98Å; Y158-Y162 HydrophobicContact CE2-CG 4.03Å; Y158-Y162 HydrophobicContact CG-CD2 4.26Å; Y158-Y162 WeakPolarHBondContact O-CB 3.5Å; Y158-Y162 WeakPolarHBondContact O-CD2 3.28Å; Y158-Y162 PolarHBondContact O-N 3.14Å; Y158-V164 HydrophobicContact CD1-CG2 4.49Å; Y158-V164 HydrophobicContact CE1-CB 4.12Å; Y158-V164 HydrophobicContact CE1-CG1 4.24Å; Y158-V164 HydrophobicContact CE1-CG2 3.73Å
159	C	97.1	Very high	95.4	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-58.3	-46	179.2	-68.8	0	0	0	0	112.2	L155 D156 G163 V164 I276	L155-C159 PolarHBondContact O-N 3.28Å; L155-C159 PolarHBondContact O-SG 2.62Å; D156-C159 PolarHBondContact O-N 2.7Å; C159-G163 CarbonylContact O-C 3.53Å; C159-G163 VanDerWaalsContact O-CA 3.25Å; C159-G163 WeakPolarHBondContact O-CA 3.46Å; C159-G163 PolarHBondContact O-N 2.85Å; C159-V164 WeakPolarHBondContact CB-O 3.21Å; C159-V164 PolarHBondContact O-N 3.45Å; C159-I276 HydrophobicContact CB-CD1 3.78Å; C159-I276 HydrophobicContact CB-CG1 3.83Å; C159-I276 HydrophobicContact CB-CG2 4.13Å
160	V	96.6	Very high	95.7	Very high	84 Å²	84	38.4 Å²	38.4	51%	0.509	20%	0.203	S	C	.	.	H	α-helix	trans	-68.4	-46.4	178.4	174.8	0	0	0	0	111.6	D156 Y158 Y162 I276	D156-V160 WeakPolarHBondContact O-CG2 3.47Å; D156-V160 PolarHBondContact O-N 3.2Å; Y158-V160 PolarHBondContact O-N 3.41Å; V160-Y162 VanDerWaalsContact C-N 3.31Å; V160-Y162 PolarHBondContact O-N 2.96Å; V160-I276 HydrophobicContact CG2-CD1 4.28Å; V160-I276 HydrophobicContact CG2-CG1 3.77Å
161	A	94.8	Very high	95.9	Very high	53 Å²	53	35 Å²	35	44%	0.438	19%	0.192	S	C	.	.	H	α-helix	trans	-68.1	-29.5	-175.2	0	0	0	0	0	113.7	R80 K157 Y158	R80-A161 PolarHBondContact NH1-O 3.39Å; K157-A161 WeakPolarHBondContact O-CB 3.43Å; K157-A161 PolarHBondContact O-N 3.06Å; Y158-A161 PolarHBondContact O-N 3.37Å
162	Y	94.9	Very high	95.9	Very high	47 Å²	47	35 Å²	35	18%	0.184	19%	0.192	C	C	.	.	H	α-helix	trans	-111.5	-1.4	-176.7	-67.6	-86.6	0	0	0	114	R80 T81 T126 G129 G131 Y158 V160	R80-Y162 HydrophobicContact CB-CD1 3.74Å; R80-Y162 HydrophobicContact CB-CE1 4.14Å; T81-Y162 HydrophobicContact CG2-CD1 3.98Å; T81-Y162 HydrophobicContact CG2-CG 4.18Å; T126-Y162 HydrophobicContact CG2-CE2 3.84Å; G129-Y162 PolarHBondContact O-OH 2.69Å; G131-Y162 VanDerWaalsContact N-CE1 3.3Å; Y158-Y162 AromaticContact CD2-CD2 3.48Å; Y158-Y162 HydrophobicContact CD2-CD2 3.48Å; Y158-Y162 VanDerWaalsContact CD2-CD2 3.48Å; Y158-Y162 AromaticContact CD2-CE2 3.8Å; Y158-Y162 HydrophobicContact CD2-CE2 3.8Å; Y158-Y162 HydrophobicContact CD2-CG 4.32Å; Y158-Y162 AromaticContact CE2-CD2 3.6Å; Y158-Y162 HydrophobicContact CE2-CD2 3.6Å; Y158-Y162 AromaticContact CE2-CE2 3.98Å; Y158-Y162 HydrophobicContact CE2-CE2 3.98Å; Y158-Y162 HydrophobicContact CE2-CG 4.03Å; Y158-Y162 HydrophobicContact CG-CD2 4.26Å; Y158-Y162 WeakPolarHBondContact O-CB 3.5Å; Y158-Y162 WeakPolarHBondContact O-CD2 3.28Å; Y158-Y162 PolarHBondContact O-N 3.14Å; V160-Y162 VanDerWaalsContact C-N 3.31Å; V160-Y162 PolarHBondContact O-N 2.96Å
163	G	95.1	Very high	95.8	Very high	62 Å²	62	37.1 Å²	37.1	64%	0.639	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	40.6	-179.2	0	0	0	0	0	113.2	C159	C159-G163 CarbonylContact O-C 3.53Å; C159-G163 VanDerWaalsContact O-CA 3.25Å; C159-G163 WeakPolarHBondContact O-CA 3.46Å; C159-G163 PolarHBondContact O-N 2.85Å
164	V	97.6	Very high	95.4	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	23%	0.227	C	C	.	.			trans	-94.5	122.3	-177.4	176.4	0	0	0	0	109.9	T81 F133 I136 Y158 C159	T81-V164 HydrophobicContact CG2-CG2 4Å; F133-V164 VanDerWaalsContact O-CG2 3.23Å; F133-V164 WeakPolarHBondContact O-CG2 3.35Å; I136-V164 HydrophobicContact CD1-CG1 3.94Å; I136-V164 HydrophobicContact CG1-CG1 4Å; Y158-V164 HydrophobicContact CD1-CG2 4.49Å; Y158-V164 HydrophobicContact CE1-CB 4.12Å; Y158-V164 HydrophobicContact CE1-CG1 4.24Å; Y158-V164 HydrophobicContact CE1-CG2 3.73Å; C159-V164 WeakPolarHBondContact CB-O 3.21Å; C159-V164 PolarHBondContact O-N 3.45Å
165	G	98.1	Very high	95	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	167.1	176.4	0	0	0	0	0	113.9	I136 Q277	I136-G165 PolarHBondContact N-O 2.87Å; I136-G165 VanDerWaalsContact N-O 3.17Å; G165-Q277 VanDerWaalsContact CA-O 3.27Å; G165-Q277 WeakPolarHBondContact CA-O 3.19Å
166	I	98.6	Very high	94.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.5	179.3	-56.8	177.3	0	0	0	111.3	I136 Y138 Y144 I276 Q277 R278 V279	I136-I166 HydrophobicContact CB-CG1 4.4Å; I136-I166 CarbonylContact O-C 3.55Å; I136-I166 VanDerWaalsContact O-CA 3.29Å; I136-I166 WeakPolarHBondContact O-CA 3.13Å; Y138-I166 HydrophobicContact CD2-CG2 4.06Å; Y144-I166 HydrophobicContact CD2-CD1 4.37Å; Y144-I166 HydrophobicContact CE1-CD1 4.07Å; Y144-I166 HydrophobicContact CE2-CD1 3.77Å; I166-I276 HydrophobicContact CD1-CG2 4.01Å; I166-I276 HydrophobicContact CG1-CG2 4.13Å; I166-Q277 PolarHBondContact N-O 3.23Å; I166-R278 HydrophobicContact CB-CG 4.17Å; I166-R278 CarbonylContact O-C 3.57Å; I166-R278 WeakPolarHBondContact O-CA 3.42Å; I166-R278 WeakPolarHBondContact O-CB 3.26Å; I166-V279 PolarHBondContact O-N 3.07Å
167	I	98.8	Very high	94	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132	162.9	-59.6	176.5	0	0	0	108.5	L135 I136 I137 Y138 F169 V279 F281 F294 A297 V298 L301	L135-I167 HydrophobicContact CD1-CD1 4.49Å; L135-I167 HydrophobicContact CD1-CG1 4.31Å; L135-I167 HydrophobicContact CD2-CD1 4.03Å; I136-I167 PolarHBondContact O-N 3.12Å; I137-I167 CarbonylContact C-O 3.27Å; I137-I167 WeakPolarHBondContact CA-O 3.42Å; I137-I167 HydrophobicContact CD1-CD1 4.43Å; I137-I167 HydrophobicContact CG1-CB 4.19Å; I137-I167 HydrophobicContact CG1-CD1 4.46Å; I137-I167 HydrophobicContact CG2-CB 4.24Å; I137-I167 HydrophobicContact CG2-CG2 4.4Å; Y138-I167 PolarHBondContact N-O 2.92Å; I167-F169 HydrophobicContact CG2-CD2 4.46Å; I167-F169 HydrophobicContact CG2-CE2 3.86Å; I167-F169 HydrophobicContact CG2-CZ 4.29Å; I167-V279 WeakPolarHBondContact CA-O 3.44Å; I167-F281 HydrophobicContact CG2-CD2 4.04Å; I167-F281 HydrophobicContact CG2-CE2 3.86Å; I167-F294 HydrophobicContact CD1-CD2 4.14Å; I167-F294 HydrophobicContact CD1-CE2 3.83Å; I167-F294 HydrophobicContact CG2-CD2 4.25Å; I167-F294 HydrophobicContact CG2-CE2 4.18Å; I167-A297 HydrophobicContact CD1-CB 3.84Å; I167-A297 HydrophobicContact CG1-CB 4.35Å; I167-V298 HydrophobicContact CD1-CG2 3.76Å; I167-L301 HydrophobicContact CD1-CD1 4.37Å; I167-L301 HydrophobicContact CG1-CD1 3.57Å
168	G	98.3	Very high	93.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.7	179.3	0	0	0	0	0	112.1	V279 L280 F281	G168-V279 PolarHBondContact N-O 3.16Å; G168-L280 CarbonylContact O-C 3.58Å; G168-L280 VanDerWaalsContact O-CA 3.29Å; G168-L280 WeakPolarHBondContact O-CA 3.42Å; G168-F281 PolarHBondContact O-N 3.2Å
169	F	98.3	Very high	93.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	143.5	170.8	-63.9	-95.9	0	0	0	110.3	L96 V100 I137 Y138 E139 N140 I141 I167 F281 N283 L285 F294	L96-F169 HydrophobicContact CD1-CD1 4.14Å; L96-F169 HydrophobicContact CD1-CE1 4.12Å; L96-F169 HydrophobicContact CD1-CG 4.41Å; L96-F169 HydrophobicContact CD1-CZ 4.34Å; L96-F169 HydrophobicContact CD2-CB 3.6Å; L96-F169 HydrophobicContact CD2-CD1 3.99Å; L96-F169 HydrophobicContact CD2-CD2 3.99Å; L96-F169 HydrophobicContact CD2-CG 3.6Å; V100-F169 HydrophobicContact CG2-CE2 4.02Å; V100-F169 HydrophobicContact CG2-CZ 4.25Å; I137-F169 HydrophobicContact CG2-CE2 4.11Å; Y138-F169 WeakPolarHBondContact O-CD2 3.47Å; Y138-F169 PolarHBondContact O-N 3.14Å; E139-F169 WeakPolarHBondContact O-CB 3.3Å; N140-F169 CarbonylContact C-O 3.54Å; N140-F169 WeakPolarHBondContact CA-O 3.48Å; I141-F169 PolarHBondContact N-O 2.75Å; I167-F169 HydrophobicContact CG2-CD2 4.46Å; I167-F169 HydrophobicContact CG2-CE2 3.86Å; I167-F169 HydrophobicContact CG2-CZ 4.29Å; F169-F281 HydrophobicContact CD1-CB 3.48Å; F169-F281 VanDerWaalsContact CD1-CB 3.48Å; F169-F281 HydrophobicContact CD1-CD2 4.27Å; F169-F281 AromaticContact CD1-CG 3.95Å; F169-F281 HydrophobicContact CD1-CG 3.95Å; F169-F281 HydrophobicContact CE1-CB 3.77Å; F169-F281 HydrophobicContact CE1-CD1 4.21Å; F169-F281 AromaticContact CE1-CD2 3.89Å; F169-F281 HydrophobicContact CE1-CD2 3.89Å; F169-F281 AromaticContact CE1-CG 3.69Å; F169-F281 HydrophobicContact CE1-CG 3.69Å; F169-F281 HydrophobicContact CG-CB 4.26Å; F169-F281 HydrophobicContact CZ-CD2 4.15Å; F169-F281 HydrophobicContact CZ-CG 4.4Å; F169-N283 WeakPolarHBondContact CD1-O 3.47Å; F169-L285 HydrophobicContact CE1-CD2 3.65Å; F169-L285 HydrophobicContact CE1-CG 3.82Å; F169-L285 HydrophobicContact CZ-CD1 4.24Å; F169-L285 HydrophobicContact CZ-CD2 3.89Å; F169-L285 HydrophobicContact CZ-CG 4Å; F169-F294 HydrophobicContact CE2-CD2 4.41Å; F169-F294 HydrophobicContact CE2-CE2 4.29Å; F169-F294 AromaticContact CZ-CD2 3.81Å; F169-F294 HydrophobicContact CZ-CD2 3.81Å; F169-F294 HydrophobicContact CZ-CE2 4.09Å
170	F	96.4	Very high	92.8	Very high	15 Å²	15	54.2 Å²	54.2	7%	0.066	31%	0.312	C	S	.	.			trans	-135.3	106.3	169.3	-174.3	-88.6	0	0	0	108.5	I141 L142 L189 T226 F281 G282 N283	I141-F170 HydrophobicContact CG2-CB 3.86Å; I141-F170 HydrophobicContact CG2-CD2 4.04Å; I141-F170 HydrophobicContact CG2-CG 4.42Å; L142-F170 HydrophobicContact CD1-CD2 4.4Å; L142-F170 HydrophobicContact CD1-CE2 3.72Å; L142-F170 HydrophobicContact CD2-CD2 4.09Å; L142-F170 HydrophobicContact CD2-CE2 3.76Å; L142-F170 HydrophobicContact CG-CD2 3.86Å; L142-F170 HydrophobicContact CG-CE2 3.61Å; F170-L189 HydrophobicContact CD1-CD1 4.17Å; F170-L189 HydrophobicContact CD2-CD1 3.98Å; F170-L189 HydrophobicContact CE1-CD1 4.08Å; F170-L189 HydrophobicContact CE2-CD1 3.87Å; F170-L189 HydrophobicContact CG-CD1 4.11Å; F170-L189 HydrophobicContact CZ-CD1 3.93Å; F170-T226 HydrophobicContact CD1-CG2 3.58Å; F170-T226 WeakPolarHBondContact CD1-OG1 3.22Å; F170-T226 HydrophobicContact CE1-CG2 3.82Å; F170-T226 VanDerWaalsContact CE1-OG1 3.26Å; F170-T226 WeakPolarHBondContact CE1-OG1 3.29Å; F170-F281 PolarHBondContact N-O 3.44Å; F170-G282 CarbonylContact O-C 3.49Å; F170-G282 WeakPolarHBondContact O-CA 3.42Å; F170-N283 PolarHBondContact O-N 3.07Å
171	K	93.4	Very high	92.7	Very high	77 Å²	77	55.6 Å²	55.6	34%	0.335	31%	0.312	S	S	.	.			trans	-104.4	128.4	173.1	176.1	175.8	178	174.9	0	108.8	D224 N284	K171-D224 WeakPolarHBondContact CE-OD2 3.47Å; K171-D224 IonicContact NZ-OD2 2.77Å; K171-D224 PolarHBondContact NZ-OD2 3.29Å; K171-N284 WeakPolarHBondContact CB-OD1 3.33Å; K171-N284 HydrophobicContact CD-CB 4.44Å; K171-N284 VanDerWaalsContact CD-CG 3.46Å; K171-N284 WeakPolarHBondContact CD-ND2 3.38Å; K171-N284 WeakPolarHBondContact CD-OD1 3.39Å
172	A	92.1	Very high	92.7	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.033	29%	0.293	C	S	.	.			trans	-70	156	179	0	0	0	0	0	111.2	N192 D224	A172-N192 WeakPolarHBondContact CB-OD1 3.31Å; A172-D224 VanDerWaalsContact CB-O 3.32Å; A172-D224 WeakPolarHBondContact CB-O 3.05Å; A172-D224 PolarHBondContact N-O 3.03Å
173	N	90.1	Very high	92.6	Very high	89 Å²	89	57.6 Å²	57.6	48%	0.476	31%	0.313	S	S	.	.			trans	-139.2	176.5	171.9	60.9	38.3	0	0	0	109.6	N175 S176 N192	N173-N175 PolarHBondContact O-N 3.24Å; N173-N175 WeakPolarHBondContact OD1-CA 3.48Å; N173-N175 PolarHBondContact OD1-N 3.21Å; N173-S176 PolarHBondContact N-OG 2.81Å; N173-S176 WeakPolarHBondContact O-CB 3.27Å; N173-S176 PolarHBondContact O-N 3.28Å; N173-S176 PolarHBondContact O-OG 3.07Å; N173-S176 PolarHBondContact OD1-N 3.08Å; N173-S176 PolarHBondContact OD1-OG 2.86Å; N173-N192 PolarHBondContact O-ND2 3.12Å; N173-N192 VanDerWaalsContact O-ND2 3.16Å; N173-N192 PolarHBondContact O-OD1 3.27Å
174	E	85.3	Confident	92.4	Very high	190 Å²	190	57.6 Å²	57.6	89%	0.888	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.7	-178.7	-62.8	178.8	-179.2	0	0	113.7
175	N	86.4	Confident	92.3	Very high	150 Å²	150	57.8 Å²	57.8	80%	0.802	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.7	179.4	-62.3	-40.8	0	0	0	113.3	N173	N173-N175 PolarHBondContact O-N 3.24Å; N173-N175 WeakPolarHBondContact OD1-CA 3.48Å; N173-N175 PolarHBondContact OD1-N 3.21Å
176	S	87.2	Confident	92.1	Very high	23 Å²	23	59.1 Å²	59.1	16%	0.161	32%	0.321	C	S	.	.	S	Bend	trans	-75.6	131.8	-177.8	-61.5	0	0	0	0	110.3	N173	N173-S176 PolarHBondContact N-OG 2.81Å; N173-S176 WeakPolarHBondContact O-CB 3.27Å; N173-S176 PolarHBondContact O-N 3.28Å; N173-S176 PolarHBondContact O-OG 3.07Å; N173-S176 PolarHBondContact OD1-N 3.08Å; N173-S176 PolarHBondContact OD1-OG 2.86Å
177	L	83.4	Confident	92	Very high	124 Å²	124	59.1 Å²	59.1	65%	0.649	32%	0.321	S	S	*	.			trans	-62.4	138.2	174.8	-62.5	176.2	0	0	0	109.9	S179 A180 S191	L177-S179 PolarHBondContact O-N 3.43Å; L177-A180 HydrophobicContact CB-CB 4.07Å; L177-A180 HydrophobicContact CD1-CB 3.99Å; L177-S191 WeakPolarHBondContact O-CB 3.48Å; L177-S191 PolarHBondContact O-OG 3.2Å
178	L	82.6	Confident	91.8	Very high	130 Å²	130	63.2 Å²	63.2	68%	0.681	34%	0.339	S	S	*	.	S	Bend	trans	-58.1	-38.3	178.7	-71.1	173.2	0	0	0	112.2	H190 S191	L178-H190 CarbonylContact O-C 3.45Å; L178-H190 VanDerWaalsContact O-CA 3.25Å; L178-H190 WeakPolarHBondContact O-CA 3.34Å; L178-S191 PolarHBondContact O-N 3.08Å
179	S	89.9	Confident	91.7	Very high	52 Å²	52	63.5 Å²	63.5	36%	0.364	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	129.1	171.8	-164.2	0	0	0	0	110.4	L177 L189 H190	L177-S179 PolarHBondContact O-N 3.43Å; S179-L189 VanDerWaalsContact CA-O 3.32Å; S179-L189 WeakPolarHBondContact CA-O 3.49Å; S179-H190 WeakPolarHBondContact CB-ND1 3.41Å; S179-H190 PolarHBondContact OG-CE1 2.9Å; S179-H190 PolarHBondContact OG-ND1 3.16Å
180	A	91.9	Very high	91.5	Very high	33 Å²	33	64 Å²	64	27%	0.273	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	144.1	177.4	0	0	0	0	0	111.8	L177 L189	L177-A180 HydrophobicContact CB-CB 4.07Å; L177-A180 HydrophobicContact CD1-CB 3.99Å; A180-L189 PolarHBondContact N-O 2.97Å; A180-L189 PolarHBondContact O-N 3.41Å
181	Q	93.9	Very high	91.4	Very high	112 Å²	112	63.5 Å²	63.5	52%	0.523	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	131.9	169.2	-167.8	177.7	4.9	0	0	109.9	K183 F185 F188	Q181-K183 PolarHBondContact O-N 2.93Å; Q181-F185 WeakPolarHBondContact CG-O 3.18Å; Q181-F185 PolarHBondContact NE2-O 2.79Å; Q181-F188 HydrophobicContact CB-CD1 3.94Å; Q181-F188 HydrophobicContact CB-CE1 3.73Å; Q181-F188 HydrophobicContact CB-CZ 4.22Å; Q181-F188 HydrophobicContact CG-CD1 4.43Å; Q181-F188 HydrophobicContact CG-CE1 4.17Å; Q181-F188 HydrophobicContact CG-CE2 4.46Å; Q181-F188 HydrophobicContact CG-CZ 4.18Å
182	L	93.7	Very high	91.3	Very high	7 Å²	7	62.4 Å²	62.4	4%	0.037	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-64.9	119.3	172.3	-176.1	66.4	0	0	0	108.9	L142 V145 G184 F185 L187 L189	L142-L182 HydrophobicContact CD2-CD1 4.07Å; V145-L182 HydrophobicContact CB-CD1 4.48Å; V145-L182 HydrophobicContact CG1-CD1 3.82Å; V145-L182 HydrophobicContact CG1-CD2 4.32Å; V145-L182 HydrophobicContact CG1-CG 4.06Å; V145-L182 HydrophobicContact CG2-CD1 4.07Å; L182-G184 PolarHBondContact O-N 2.85Å; L182-F185 HydrophobicContact CB-CB 4.33Å; L182-F185 HydrophobicContact CD2-CB 4.28Å; L182-F185 HydrophobicContact CD2-CD2 3.85Å; L182-F185 HydrophobicContact CD2-CG 4.2Å; L182-F185 HydrophobicContact CG-CB 4.41Å; L182-F185 HydrophobicContact CG-CD2 3.96Å; L182-F185 PolarHBondContact O-N 2.82Å; L182-L187 HydrophobicContact CB-CB 4.47Å; L182-L187 HydrophobicContact CD2-CD2 4.24Å; L182-L187 PolarHBondContact N-O 3.43Å; L182-L189 HydrophobicContact CB-CD1 4.43Å; L182-L189 HydrophobicContact CB-CG 4.45Å; L182-L189 HydrophobicContact CD1-CD1 4.18Å
183	K	92.9	Very high	91.3	Very high	136 Å²	136	63.8 Å²	63.8	59%	0.591	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	122.1	-173.4	-176.5	-175.3	176.5	-170.2	0	112	V145 Q181 F185	V145-K183 HydrophobicContact CG2-CB 4.39Å; Q181-K183 PolarHBondContact O-N 2.93Å; K183-F185 VanDerWaalsContact C-N 3.33Å; K183-F185 VanDerWaalsContact O-CD2 3.29Å; K183-F185 WeakPolarHBondContact O-CD2 3.46Å
184	G	91	Very high	91.3	Very high	62 Å²	62	60 Å²	60	64%	0.639	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	4.8	178.2	0	0	0	0	0	115	L182 H273	L182-G184 PolarHBondContact O-N 2.85Å; G184-H273 PolarHBondContact O-CE1 3.32Å
185	F	95.4	Very high	91.8	Very high	7 Å²	7	51 Å²	51	3%	0.031	29%	0.286	C	S	.	.	S	Bend	trans	-127.6	145.5	-178.6	-67.2	-83	0	0	0	111.6	Y144 V145 R152 Q181 L182 K183 L187 Y235 D274	Y144-F185 HydrophobicContact CE1-CE2 4.39Å; Y144-F185 AromaticContact CE1-CZ 3.97Å; Y144-F185 HydrophobicContact CE1-CZ 3.97Å; V145-F185 HydrophobicContact CG1-CD2 4.17Å; V145-F185 HydrophobicContact CG1-CE2 3.75Å; R152-F185 VanDerWaalsContact NH2-CZ 3.31Å; Q181-F185 WeakPolarHBondContact CG-O 3.18Å; Q181-F185 PolarHBondContact NE2-O 2.79Å; L182-F185 HydrophobicContact CB-CB 4.33Å; L182-F185 HydrophobicContact CD2-CB 4.28Å; L182-F185 HydrophobicContact CD2-CD2 3.85Å; L182-F185 HydrophobicContact CD2-CG 4.2Å; L182-F185 HydrophobicContact CG-CB 4.41Å; L182-F185 HydrophobicContact CG-CD2 3.96Å; L182-F185 PolarHBondContact O-N 2.82Å; K183-F185 VanDerWaalsContact C-N 3.33Å; K183-F185 VanDerWaalsContact O-CD2 3.29Å; K183-F185 WeakPolarHBondContact O-CD2 3.46Å; F185-L187 HydrophobicContact CB-CB 4.27Å; F185-L187 PolarHBondContact O-N 3.35Å; F185-Y235 WeakPolarHBondContact CD1-OH 3.34Å; F185-D274 WeakPolarHBondContact CE1-OD2 3.29Å
186	P	94.5	Very high	92.1	Very high	30 Å²	30	47.3 Å²	47.3	20%	0.195	26%	0.263	C	S	.	.	S	Bend	trans	-79.1	53.2	172.6	32	-30.4	0	0	0	110.6	S230 H232 Y235	P186-S230 VanDerWaalsContact O-CB 3.32Å; P186-S230 WeakPolarHBondContact O-CB 3.4Å; P186-S230 PolarHBondContact O-OG 2.93Å; P186-H232 HydrophobicContact CB-CB 4.04Å; P186-H232 HydrophobicContact CG-CB 3.85Å; P186-Y235 HydrophobicContact CG-CE2 4.11Å
187	L	95.9	Very high	92.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.264	C	S	.	.			trans	-135.8	125.1	-175.2	-172	67	0	0	0	109.9	L182 F185 F228 Y235 L280	L182-L187 HydrophobicContact CB-CB 4.47Å; L182-L187 HydrophobicContact CD2-CD2 4.24Å; L182-L187 PolarHBondContact N-O 3.43Å; F185-L187 HydrophobicContact CB-CB 4.27Å; F185-L187 PolarHBondContact O-N 3.35Å; L187-F228 HydrophobicContact CD1-CB 4.11Å; L187-F228 HydrophobicContact CD1-CD1 4.46Å; L187-F228 HydrophobicContact CD2-CD1 3.87Å; L187-F228 HydrophobicContact CD2-CE1 4.41Å; L187-F228 HydrophobicContact CG-CD1 4.27Å; L187-Y235 HydrophobicContact CB-CE1 4.49Å; L187-Y235 HydrophobicContact CB-CE2 3.93Å; L187-Y235 HydrophobicContact CD1-CD1 4.07Å; L187-Y235 HydrophobicContact CD1-CD2 4Å; L187-Y235 HydrophobicContact CD1-CE1 4.21Å; L187-Y235 HydrophobicContact CD1-CE2 4.11Å; L187-Y235 HydrophobicContact CD1-CG 3.97Å; L187-Y235 HydrophobicContact CD2-CD1 4.42Å; L187-Y235 HydrophobicContact CD2-CE1 3.93Å; L187-Y235 HydrophobicContact CG-CE1 4.45Å; L187-Y235 HydrophobicContact CG-CE2 4.5Å; L187-L280 HydrophobicContact CD2-CD1 3.5Å; L187-L280 VanDerWaalsContact CD2-CD1 3.5Å
188	F	95.8	Very high	93	Very high	85 Å²	85	42 Å²	42	37%	0.373	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	136.8	175.8	-68.9	-93.2	0	0	0	110.4	Q181 F228 Q229	Q181-F188 HydrophobicContact CB-CD1 3.94Å; Q181-F188 HydrophobicContact CB-CE1 3.73Å; Q181-F188 HydrophobicContact CB-CZ 4.22Å; Q181-F188 HydrophobicContact CG-CD1 4.43Å; Q181-F188 HydrophobicContact CG-CE1 4.17Å; Q181-F188 HydrophobicContact CG-CE2 4.46Å; Q181-F188 HydrophobicContact CG-CZ 4.18Å; F188-F228 WeakPolarHBondContact O-CA 3.48Å; F188-Q229 HydrophobicContact CB-CB 4.43Å; F188-Q229 PolarHBondContact N-O 3.25Å; F188-Q229 PolarHBondContact O-N 2.6Å
189	L	95.4	Very high	93.6	Very high	7 Å²	7	37 Å²	37	4%	0.037	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125	175.8	-55.6	-178.5	0	0	0	108.3	F170 S179 A180 L182 T226 F228	F170-L189 HydrophobicContact CD1-CD1 4.17Å; F170-L189 HydrophobicContact CD2-CD1 3.98Å; F170-L189 HydrophobicContact CE1-CD1 4.08Å; F170-L189 HydrophobicContact CE2-CD1 3.87Å; F170-L189 HydrophobicContact CG-CD1 4.11Å; F170-L189 HydrophobicContact CZ-CD1 3.93Å; S179-L189 VanDerWaalsContact CA-O 3.32Å; S179-L189 WeakPolarHBondContact CA-O 3.49Å; A180-L189 PolarHBondContact N-O 2.97Å; A180-L189 PolarHBondContact O-N 3.41Å; L182-L189 HydrophobicContact CB-CD1 4.43Å; L182-L189 HydrophobicContact CB-CG 4.45Å; L182-L189 HydrophobicContact CD1-CD1 4.18Å; L189-T226 HydrophobicContact CB-CG2 3.84Å; L189-T226 HydrophobicContact CD2-CG2 4.13Å; L189-T226 HydrophobicContact CG-CG2 4.48Å; L189-F228 HydrophobicContact CD2-CD1 3.33Å; L189-F228 HydrophobicContact CD2-CE1 3.32Å
190	H	94.1	Very high	93.9	Very high	10 Å²	10	35 Å²	35	5%	0.046	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.2	170.2	-56.2	-81.9	0	0	0	109.1	L178 S179 L193 T226 V227 Q229	L178-H190 CarbonylContact O-C 3.45Å; L178-H190 VanDerWaalsContact O-CA 3.25Å; L178-H190 WeakPolarHBondContact O-CA 3.34Å; S179-H190 WeakPolarHBondContact CB-ND1 3.41Å; S179-H190 PolarHBondContact OG-CE1 2.9Å; S179-H190 PolarHBondContact OG-ND1 3.16Å; H190-L193 HydrophobicContact CB-CD1 4.33Å; H190-T226 CarbonylContact O-C 3.54Å; H190-T226 VanDerWaalsContact O-CA 3.22Å; H190-T226 WeakPolarHBondContact O-CA 3.41Å; H190-V227 HydrophobicContact CB-CG2 3.83Å; H190-V227 PolarHBondContact N-O 2.9Å; H190-V227 PolarHBondContact O-N 3.3Å; H190-Q229 PolarHBondContact NE2-OE1 3.17Å
191	S	94	Very high	94.1	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.028	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	166.1	-161.1	-50.9	0	0	0	0	113	L177 L178 W225	L177-S191 WeakPolarHBondContact O-CB 3.48Å; L177-S191 PolarHBondContact O-OG 3.2Å; L178-S191 PolarHBondContact O-N 3.08Å; S191-W225 CarbonylContact C-O 3.53Å
192	N	91.8	Very high	94.1	Very high	55 Å²	55	33.9 Å²	33.9	29%	0.294	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	59.2	47.6	177.6	-64	-39.1	0	0	0	112.9	A172 N173 E223 W225	A172-N192 WeakPolarHBondContact CB-OD1 3.31Å; N173-N192 PolarHBondContact O-ND2 3.12Å; N173-N192 VanDerWaalsContact O-ND2 3.16Å; N173-N192 PolarHBondContact O-OD1 3.27Å; N192-E223 CarbonylContact C-O 3.1Å; N192-E223 WeakPolarHBondContact CA-O 3.44Å; N192-W225 PolarHBondContact N-O 3.05Å
193	L	91.3	Very high	94	Very high	32 Å²	32	42.3 Å²	42.3	17%	0.168	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.4	179.6	-59.1	177.4	0	0	0	112.3	H190 L195 E223 W225 V227 I249	H190-L193 HydrophobicContact CB-CD1 4.33Å; L193-L195 HydrophobicContact CB-CD2 4.07Å; L193-L195 HydrophobicContact CB-CG 4.45Å; L193-E223 CarbonylContact C-O 3.47Å; L193-E223 PolarHBondContact N-O 3.12Å; L193-E223 CarbonylContact O-C 3.56Å; L193-W225 PolarHBondContact N-O 2.92Å; L193-W225 VanDerWaalsContact N-O 3.12Å; L193-W225 VanDerWaalsContact O-CB 3.31Å; L193-W225 WeakPolarHBondContact O-CB 3.37Å; L193-W225 PolarHBondContact O-N 2.89Å; L193-V227 HydrophobicContact CD1-CG1 4.15Å; L193-V227 HydrophobicContact CD1-CG2 3.63Å; L193-I249 HydrophobicContact CD1-CD1 4.21Å
194	G	91.8	Very high	94.1	Very high	11 Å²	11	36.1 Å²	36.1	11%	0.113	20%	0.203	C	C	.	.			trans	-82.5	122.2	161.8	0	0	0	0	0	111.3	E223 R244	G194-E223 WeakPolarHBondContact CA-OE2 3.5Å; G194-E223 PolarHBondContact N-OE2 3.43Å; G194-R244 WeakPolarHBondContact O-CB 3.47Å; G194-R244 PolarHBondContact O-N 3.05Å
195	L	94.1	Very high	94.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	153.4	-177.7	-57.5	-178.1	0	0	0	111.8	L193 L220 W225 V227 A241 K242 T243 T265	L193-L195 HydrophobicContact CB-CD2 4.07Å; L193-L195 HydrophobicContact CB-CG 4.45Å; L195-L220 VanDerWaalsContact C-CD1 3.44Å; L195-L220 HydrophobicContact CB-CB 4.31Å; L195-L220 HydrophobicContact CB-CD1 3.81Å; L195-L220 HydrophobicContact CB-CD2 4.49Å; L195-L220 HydrophobicContact CB-CG 4.42Å; L195-L220 WeakPolarHBondContact O-CD1 3.3Å; L195-L220 PolarHBondContact O-N 3.4Å; L195-W225 HydrophobicContact CD1-CB 3.57Å; L195-W225 HydrophobicContact CD1-CD2 3.86Å; L195-W225 HydrophobicContact CD1-CE3 3.83Å; L195-W225 HydrophobicContact CD1-CG 3.74Å; L195-W225 HydrophobicContact CG-CB 3.9Å; L195-W225 HydrophobicContact CG-CG 4.04Å; L195-V227 HydrophobicContact CD1-CG1 3.88Å; L195-V227 HydrophobicContact CD2-CG1 4.24Å; L195-A241 HydrophobicContact CB-CB 4.25Å; L195-A241 HydrophobicContact CD1-CB 4.23Å; L195-K242 CarbonylContact C-O 3.47Å; L195-K242 VanDerWaalsContact CA-O 3.3Å; L195-K242 WeakPolarHBondContact CA-O 3.47Å; L195-T243 HydrophobicContact CD2-CG2 4.34Å; L195-T265 HydrophobicContact CD1-CG2 3.41Å; L195-T265 VanDerWaalsContact CD1-CG2 3.41Å
196	K	94.3	Very high	94.1	Very high	73 Å²	73	36.4 Å²	36.4	32%	0.317	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	163.4	172.8	67.3	-179.6	-177.7	-173.6	0	110.8	G218 L220 K242 T243	K196-G218 CarbonylContact C-O 3.36Å; K196-G218 WeakPolarHBondContact CA-O 3.29Å; K196-G218 VanDerWaalsContact CB-O 3.28Å; K196-G218 WeakPolarHBondContact CB-O 3.48Å; K196-L220 VanDerWaalsContact CA-CD1 3.41Å; K196-K242 HydrophobicContact CG-CB 4.2Å; K196-K242 PolarHBondContact N-O 3.37Å; K196-K242 PolarHBondContact O-N 3.22Å; K196-K242 VanDerWaalsContact O-O 3.12Å; K196-T243 WeakPolarHBondContact CE-O 3.46Å
197	D	94	Very high	94.1	Very high	35 Å²	35	36.5 Å²	36.5	19%	0.187	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.7	80.8	170.4	-56.8	-24.4	0	0	0	113.1	V215 E216 K217 G218 K242	D197-V215 HydrophobicContact CB-CG1 3.88Å; D197-E216 CarbonylContact C-O 3.59Å; D197-E216 VanDerWaalsContact CA-O 3.24Å; D197-E216 WeakPolarHBondContact CA-O 3.34Å; D197-K217 WeakPolarHBondContact OD1-CA 3.38Å; D197-G218 PolarHBondContact N-O 3.46Å; D197-G218 PolarHBondContact OD1-N 2.94Å; D197-K242 HydrophobicContact CB-CD 4.17Å; D197-K242 HydrophobicContact CB-CG 4.49Å
198	C	95	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	136.1	-177.4	-167.4	0	0	0	0	111.9	V215 E216 L220 L240 A241 F287 L289	C198-V215 CarbonylContact O-C 3.5Å; C198-V215 WeakPolarHBondContact O-CG1 3.5Å; C198-E216 HydrophobicContact CB-CB 4.38Å; C198-E216 PolarHBondContact N-O 2.82Å; C198-E216 PolarHBondContact O-N 2.75Å; C198-L220 HydrophobicContact CB-CD1 4.31Å; C198-L220 HydrophobicContact CB-CD2 4.31Å; C198-L240 CarbonylContact C-O 3.59Å; C198-L240 WeakPolarHBondContact CA-O 3.37Å; C198-A241 HydrophobicContact CB-CB 4.38Å; C198-F287 HydrophobicContact CB-CE1 4.18Å; C198-F287 HydrophobicContact CB-CZ 4Å; C198-L289 HydrophobicContact CB-CD1 4.43Å
199	S	94.9	Very high	94.1	Very high	24 Å²	24	35.1 Å²	35.1	17%	0.168	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.8	-179.4	61.6	0	0	0	0	111.1	L239 L240	S199-L239 WeakPolarHBondContact O-CA 3.21Å; S199-L240 PolarHBondContact N-O 3.35Å; S199-L240 PolarHBondContact O-N 3.17Å; S199-L240 PolarHBondContact OG-O 3.35Å; S199-L240 VanDerWaalsContact OG-O 3.05Å
200	I	96.4	Very high	94.2	Very high	10 Å²	10	34.8 Å²	34.8	5%	0.051	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132	179.8	-55.8	164.9	0	0	0	108.2	P202 L207 T210 R211 P212 L239 L289 W553	I200-P202 WeakPolarHBondContact O-CD 3.47Å; I200-L207 HydrophobicContact CG2-CD1 3.62Å; I200-L207 HydrophobicContact CG2-CD2 3.97Å; I200-L207 HydrophobicContact CG2-CG 4.47Å; I200-T210 HydrophobicContact CD1-CG2 3.72Å; I200-T210 HydrophobicContact CG2-CG2 4.26Å; I200-R211 WeakPolarHBondContact CD1-O 3.3Å; I200-P212 HydrophobicContact CB-CB 4.37Å; I200-P212 HydrophobicContact CG2-CB 4.18Å; I200-L239 HydrophobicContact CB-CD2 4.21Å; I200-L239 HydrophobicContact CG1-CD2 3.69Å; I200-L239 HydrophobicContact CG2-CD2 4.35Å; I200-L289 HydrophobicContact CD1-CD2 3.93Å; I200-L289 HydrophobicContact CG1-CD2 4.39Å; I200-W553 HydrophobicContact CD1-CE3 3.84Å; I200-W553 HydrophobicContact CD1-CZ3 3.69Å
201	N	95.4	Very high	94.3	Very high	32 Å²	32	37.8 Å²	37.8	17%	0.171	20%	0.195	C	C	.	.			trans	-74.9	109.5	175.2	178	8.5	0	0	0	110.6	K203 S204 L207 P237 V238	N201-K203 PolarHBondContact O-N 3.44Å; N201-K203 VanDerWaalsContact O-N 3.08Å; N201-K203 PolarHBondContact OD1-N 3.43Å; N201-K203 VanDerWaalsContact OD1-N 3.08Å; N201-S204 WeakPolarHBondContact O-CB 3.39Å; N201-S204 PolarHBondContact O-N 2.86Å; N201-S204 VanDerWaalsContact O-N 3.12Å; N201-L207 WeakPolarHBondContact O-CD1 3.26Å; N201-P237 WeakPolarHBondContact CB-O 3.48Å; N201-P237 PolarHBondContact ND2-O 3.29Å; N201-V238 PolarHBondContact N-O 3.27Å
202	P	94.2	Very high	94.1	Very high	91 Å²	91	40.1 Å²	40.1	59%	0.591	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.8	-176.2	29.1	-36.4	0	0	0	113.7	I200 P212	I200-P202 WeakPolarHBondContact O-CD 3.47Å; P202-P212 HydrophobicContact CB-CB 3.76Å; P202-P212 HydrophobicContact CB-CG 3.83Å
203	K	92.4	Very high	93.6	Very high	183 Å²	183	39.6 Å²	39.6	80%	0.796	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.5	179.2	-60	-176.2	-179.7	177	0	113.2	N201 P205	N201-K203 PolarHBondContact O-N 3.44Å; N201-K203 VanDerWaalsContact O-N 3.08Å; N201-K203 PolarHBondContact OD1-N 3.43Å; N201-K203 VanDerWaalsContact OD1-N 3.08Å; K203-P205 WeakPolarHBondContact O-CD 3.18Å
204	S	94.2	Very high	92.9	Very high	7 Å²	7	45.1 Å²	45.1	5%	0.049	24%	0.236	C	C	.	.			trans	-68.2	123.5	-177	177.8	0	0	0	0	110.7	N201 L206 L207	N201-S204 WeakPolarHBondContact O-CB 3.39Å; N201-S204 PolarHBondContact O-N 2.86Å; N201-S204 VanDerWaalsContact O-N 3.12Å; S204-L206 PolarHBondContact O-N 3.16Å; S204-L206 WeakPolarHBondContact OG-CB 3.31Å; S204-L206 PolarHBondContact OG-N 3.22Å; S204-L207 PolarHBondContact O-N 2.91Å
205	P	91.6	Very high	92.8	Very high	72 Å²	72	47.6 Å²	47.6	47%	0.468	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-8	178.9	31.5	-36.3	0	0	0	113	K203 L207 F300	K203-P205 WeakPolarHBondContact O-CD 3.18Å; P205-L207 VanDerWaalsContact C-N 3.34Å; P205-F300 HydrophobicContact CB-CE2 4.34Å; P205-F300 WeakPolarHBondContact O-CD2 3.19Å
206	L	94.3	Very high	92.7	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-31.7	176	-179	148.4	0	0	0	112.2	S204 Y208 V238 V279 V293 D296 A297 F300	S204-L206 PolarHBondContact O-N 3.16Å; S204-L206 WeakPolarHBondContact OG-CB 3.31Å; S204-L206 PolarHBondContact OG-N 3.22Å; L206-Y208 PolarHBondContact O-N 3.45Å; L206-V238 HydrophobicContact CD1-CG2 4.41Å; L206-V238 HydrophobicContact CD2-CG1 4.15Å; L206-V279 HydrophobicContact CD1-CB 4.33Å; L206-V279 HydrophobicContact CD1-CG1 3.89Å; L206-V279 HydrophobicContact CD1-CG2 3.43Å; L206-V279 VanDerWaalsContact CD1-CG2 3.43Å; L206-V293 HydrophobicContact CD2-CG1 3.89Å; L206-D296 HydrophobicContact CD2-CB 3.49Å; L206-D296 VanDerWaalsContact CD2-CB 3.49Å; L206-D296 HydrophobicContact CG-CB 4.38Å; L206-A297 HydrophobicContact CD1-CB 4.12Å; L206-F300 HydrophobicContact CB-CD2 4.49Å; L206-F300 HydrophobicContact CB-CG 4.45Å; L206-F300 HydrophobicContact CG-CB 4.25Å; L206-F300 HydrophobicContact CG-CG 4.47Å
207	L	95.7	Very high	92.5	Very high	33 Å²	33	54.3 Å²	54.3	17%	0.173	28%	0.278	C	S	.	.			trans	-67.4	124.8	-171.6	-51.9	-179.2	0	0	0	111	I200 N201 S204 P205 T210 P212 V238 D296	I200-L207 HydrophobicContact CG2-CD1 3.62Å; I200-L207 HydrophobicContact CG2-CD2 3.97Å; I200-L207 HydrophobicContact CG2-CG 4.47Å; N201-L207 WeakPolarHBondContact O-CD1 3.26Å; S204-L207 PolarHBondContact O-N 2.91Å; P205-L207 VanDerWaalsContact C-N 3.34Å; L207-T210 HydrophobicContact CD2-CG2 4.1Å; L207-P212 HydrophobicContact CD1-CB 4.44Å; L207-P212 HydrophobicContact CD1-CG 4.44Å; L207-V238 HydrophobicContact CD2-CG1 4.16Å; L207-D296 WeakPolarHBondContact CA-OD2 3.46Å
208	Y	95.3	Very high	92.4	Very high	53 Å²	53	54.4 Å²	54.4	21%	0.208	29%	0.287	C	S	.	.	S	Bend	trans	-132.3	-61.8	178.6	171.6	-120.8	0	0	0	110.9	L206 D296 A299 L310 N555	L206-Y208 PolarHBondContact O-N 3.45Å; Y208-D296 VanDerWaalsContact N-CG 3.32Å; Y208-D296 PolarHBondContact N-OD1 3.18Å; Y208-D296 PolarHBondContact N-OD2 3.21Å; Y208-A299 HydrophobicContact CD1-CB 4.41Å; Y208-L310 HydrophobicContact CD1-CD2 4.41Å; Y208-L310 HydrophobicContact CD2-CD2 4.48Å; Y208-L310 HydrophobicContact CE1-CD2 4Å; Y208-L310 HydrophobicContact CE1-CG 4.43Å; Y208-L310 HydrophobicContact CE2-CD1 3.99Å; Y208-L310 HydrophobicContact CE2-CD2 4.07Å; Y208-L310 HydrophobicContact CE2-CG 3.97Å; Y208-N555 PolarHBondContact O-ND2 3.36Å
209	V	96.9	Very high	92.3	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.024	31%	0.313	C	S	.	.	S	Bend	trans	-80.4	-37.8	171.8	-176.3	0	0	0	0	110.3	R211 L292 V295 D296 L310 L519 T554 N555 L556	V209-R211 PolarHBondContact O-N 3.17Å; V209-L292 HydrophobicContact CG1-CD1 4.11Å; V209-V295 HydrophobicContact CG2-CG1 4.33Å; V209-D296 WeakPolarHBondContact CA-OD1 3.45Å; V209-D296 VanDerWaalsContact CB-OD1 3.31Å; V209-D296 WeakPolarHBondContact CB-OD1 3.37Å; V209-D296 WeakPolarHBondContact CG2-OD1 3.47Å; V209-D296 PolarHBondContact N-OD1 3.4Å; V209-D296 PolarHBondContact N-OD2 2.86Å; V209-L310 HydrophobicContact CG2-CD2 4.05Å; V209-L519 HydrophobicContact CG1-CD1 3.55Å; V209-T554 CarbonylContact O-C 3.57Å; V209-T554 WeakPolarHBondContact O-CA 3.03Å; V209-T554 WeakPolarHBondContact O-CB 3.24Å; V209-N555 PolarHBondContact O-N 2.89Å; V209-L556 HydrophobicContact CG1-CD1 4.43Å; V209-L556 HydrophobicContact CG1-CD2 3.76Å; V209-L556 HydrophobicContact CG1-CG 3.98Å
210	T	97.3	Very high	92.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-67.1	127.9	-179.6	-49.3	0	0	0	0	110.4	I200 L207 L292 D296 N555	I200-T210 HydrophobicContact CD1-CG2 3.72Å; I200-T210 HydrophobicContact CG2-CG2 4.26Å; L207-T210 HydrophobicContact CD2-CG2 4.1Å; T210-L292 HydrophobicContact CG2-CD2 3.93Å; T210-L292 HydrophobicContact CG2-CG 4.21Å; T210-L292 WeakPolarHBondContact OG1-CG 3.38Å; T210-D296 WeakPolarHBondContact CB-OD2 3.4Å; T210-D296 PolarHBondContact N-OD2 2.98Å; T210-D296 PolarHBondContact OG1-OD2 2.83Å; T210-N555 PolarHBondContact O-ND2 3.47Å; T210-N555 VanDerWaalsContact O-ND2 3.09Å
211	R	95.5	Very high	92.1	Very high	72 Å²	72	60.4 Å²	60.4	27%	0.272	32%	0.324	S	S	.	.			trans	-94.6	127.4	166.6	-172	-178.1	-61.5	-168.2	12.2	108.4	I200 V209 S213 H551 W553 T554 N555	I200-R211 WeakPolarHBondContact CD1-O 3.3Å; V209-R211 PolarHBondContact O-N 3.17Å; R211-S213 PolarHBondContact O-N 3.48Å; R211-H551 PolarHBondContact NH1-O 2.83Å; R211-H551 PolarHBondContact NH2-O 3.46Å; R211-W553 PolarHBondContact N-O 3.06Å; R211-T554 PolarHBondContact NE-O 3.14Å; R211-T554 PolarHBondContact NH2-O 2.98Å; R211-N555 WeakPolarHBondContact CB-OD1 3.5Å; R211-N555 PolarHBondContact NE-OD1 3.26Å
212	P	90.3	Very high	91.8	Very high	54 Å²	54	60.9 Å²	60.9	35%	0.351	34%	0.337	S	S	.	.			trans	-64.9	110.4	166.8	27.6	-31	0	0	0	108.1	I200 P202 L207	I200-P212 HydrophobicContact CB-CB 4.37Å; I200-P212 HydrophobicContact CG2-CB 4.18Å; P202-P212 HydrophobicContact CB-CB 3.76Å; P202-P212 HydrophobicContact CB-CG 3.83Å; L207-P212 HydrophobicContact CD1-CB 4.44Å; L207-P212 HydrophobicContact CD1-CG 4.44Å
213	S	79.8	Confident	91.7	Very high	44 Å²	44	60.9 Å²	60.9	31%	0.308	33%	0.329	S	S	.	.			trans	-111.7	-163.9	-178.9	-152	0	0	0	0	110.7	R211 S552	R211-S213 PolarHBondContact O-N 3.48Å; S213-S552 WeakPolarHBondContact CB-O 3.49Å; S213-S552 PolarHBondContact OG-O 3.01Å
214	E	78.4	Confident	91.7	Very high	148 Å²	148	54 Å²	54	69%	0.692	30%	0.301	S	S	*	.	S	Bend	trans	-57.6	169.1	169	-66.3	-169.2	-174.6	0	0	112.7	E216 W553	E214-E216 PolarHBondContact O-N 2.83Å; E214-W553 WeakPolarHBondContact O-CH2 3.47Å; E214-W553 WeakPolarHBondContact O-CZ3 3.36Å
215	V	89.2	Confident	91.8	Very high	62 Å²	62	53.8 Å²	53.8	38%	0.376	30%	0.299	S	S	.	.			trans	-68.5	129	175.9	-178.9	0	0	0	0	109.6	D197 C198 K217	D197-V215 HydrophobicContact CB-CG1 3.88Å; C198-V215 CarbonylContact O-C 3.5Å; C198-V215 WeakPolarHBondContact O-CG1 3.5Å; V215-K217 PolarHBondContact O-N 2.9Å
216	E	91.1	Very high	92	Very high	55 Å²	55	50.4 Å²	50.4	26%	0.257	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	99	167.7	176.4	68.1	170.8	0	0	108.2	D197 C198 E214 F287 W288 L289 W553	D197-E216 CarbonylContact C-O 3.59Å; D197-E216 VanDerWaalsContact CA-O 3.24Å; D197-E216 WeakPolarHBondContact CA-O 3.34Å; C198-E216 HydrophobicContact CB-CB 4.38Å; C198-E216 PolarHBondContact N-O 2.82Å; C198-E216 PolarHBondContact O-N 2.75Å; E214-E216 PolarHBondContact O-N 2.83Å; E216-F287 HydrophobicContact CG-CE2 4.26Å; E216-F287 HydrophobicContact CG-CZ 4.15Å; E216-W288 HydrophobicContact CG-CZ2 4.28Å; E216-W288 PolarHBondContact OE1-NE1 2.93Å; E216-L289 HydrophobicContact CB-CD1 3.99Å; E216-L289 HydrophobicContact CG-CD1 4.47Å; E216-W553 HydrophobicContact CB-CH2 3.88Å; E216-W553 HydrophobicContact CB-CZ2 4.33Å
217	K	91.1	Very high	92.1	Very high	159 Å²	159	50.4 Å²	50.4	69%	0.691	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	146.4	-173.2	-68.4	175.6	-173.9	166.7	0	111.6	D197 V215	D197-K217 WeakPolarHBondContact OD1-CA 3.38Å; V215-K217 PolarHBondContact O-N 2.9Å
218	G	91.3	Very high	92.1	Very high	37 Å²	37	49.5 Å²	49.5	38%	0.381	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	107.4	-175.8	175.3	0	0	0	0	0	113.5	K196 D197	K196-G218 CarbonylContact C-O 3.36Å; K196-G218 WeakPolarHBondContact CA-O 3.29Å; K196-G218 VanDerWaalsContact CB-O 3.28Å; K196-G218 WeakPolarHBondContact CB-O 3.48Å; D197-G218 PolarHBondContact N-O 3.46Å; D197-G218 PolarHBondContact OD1-N 2.94Å
219	V	93	Very high	92.1	Very high	89 Å²	89	49.8 Å²	49.8	54%	0.539	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	131	-173.1	-178.3	0	0	0	0	109.9
220	L	93.6	Very high	91.9	Very high	6 Å²	6	51.2 Å²	51.2	3%	0.031	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-72.3	151.9	173.8	-76.2	88.9	0	0	0	110.4	L195 K196 C198 G222 W225 A241 F287	L195-L220 VanDerWaalsContact C-CD1 3.44Å; L195-L220 HydrophobicContact CB-CB 4.31Å; L195-L220 HydrophobicContact CB-CD1 3.81Å; L195-L220 HydrophobicContact CB-CD2 4.49Å; L195-L220 HydrophobicContact CB-CG 4.42Å; L195-L220 WeakPolarHBondContact O-CD1 3.3Å; L195-L220 PolarHBondContact O-N 3.4Å; K196-L220 VanDerWaalsContact CA-CD1 3.41Å; C198-L220 HydrophobicContact CB-CD1 4.31Å; C198-L220 HydrophobicContact CB-CD2 4.31Å; L220-G222 PolarHBondContact O-N 2.66Å; L220-W225 HydrophobicContact CB-CZ2 3.78Å; L220-W225 HydrophobicContact CD2-CD2 4.42Å; L220-W225 HydrophobicContact CD2-CE3 4.32Å; L220-W225 HydrophobicContact CD2-CH2 3.49Å; L220-W225 VanDerWaalsContact CD2-CH2 3.49Å; L220-W225 HydrophobicContact CD2-CZ2 3.6Å; L220-W225 HydrophobicContact CD2-CZ3 3.85Å; L220-W225 HydrophobicContact CG-CZ2 4.29Å; L220-A241 HydrophobicContact CD1-CB 4.3Å; L220-F287 HydrophobicContact CD2-CD1 4.02Å; L220-F287 HydrophobicContact CD2-CE1 3.72Å; L220-F287 HydrophobicContact CD2-CE2 4.44Å; L220-F287 HydrophobicContact CD2-CG 4.47Å; L220-F287 HydrophobicContact CD2-CZ 3.96Å; L220-F287 HydrophobicContact CG-CE1 4.5Å; L220-F287 HydrophobicContact CG-CE2 4.42Å; L220-F287 HydrophobicContact CG-CZ 4.26Å
221	P	92.7	Very high	91.6	Very high	65 Å²	65	59 Å²	59	42%	0.422	33%	0.327	S	S	.	.	S	Bend	trans	-62.4	121.7	-177.7	-23	32.9	0	0	0	112.9	W225 F287	P221-W225 PolarHBondContact O-NE1 3.41Å; P221-F287 HydrophobicContact CG-CD2 4.34Å
222	G	90.9	Very high	91.5	Very high	43 Å²	43	58.6 Å²	58.6	44%	0.443	33%	0.328	S	S	.	.			trans	81.1	176.1	176.1	0	0	0	0	0	114.8	L220	L220-G222 PolarHBondContact O-N 2.66Å
223	E	90.1	Very high	91.7	Very high	90 Å²	90	60.4 Å²	60.4	42%	0.421	34%	0.342	S	S	.	.	S	Bend	trans	-121.6	12.7	-178.6	-56.2	-77.7	156.8	0	0	110.9	N192 L193 G194 R244	N192-E223 CarbonylContact C-O 3.1Å; N192-E223 WeakPolarHBondContact CA-O 3.44Å; L193-E223 CarbonylContact C-O 3.47Å; L193-E223 PolarHBondContact N-O 3.12Å; L193-E223 CarbonylContact O-C 3.56Å; G194-E223 WeakPolarHBondContact CA-OE2 3.5Å; G194-E223 PolarHBondContact N-OE2 3.43Å; E223-R244 IonicContact OE1-CZ 3.94Å; E223-R244 IonicContact OE1-NH1 2.79Å; E223-R244 PolarHBondContact OE1-NH1 3.46Å
224	D	93.3	Very high	92.4	Very high	40 Å²	40	58.3 Å²	58.3	21%	0.214	33%	0.327	C	S	.	.			trans	-100.1	27.4	-175.6	53.8	7.5	0	0	0	112.4	K171 A172 N283	K171-D224 WeakPolarHBondContact CE-OD2 3.47Å; K171-D224 IonicContact NZ-OD2 2.77Å; K171-D224 PolarHBondContact NZ-OD2 3.29Å; A172-D224 VanDerWaalsContact CB-O 3.32Å; A172-D224 WeakPolarHBondContact CB-O 3.05Å; A172-D224 PolarHBondContact N-O 3.03Å; D224-N283 PolarHBondContact OD1-ND2 3.4Å
225	W	95.5	Very high	93.3	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.008	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	147.9	-179.8	-69.3	77.2	0	0	0	112.2	S191 N192 L193 L195 L220 P221 T265 N283 F287 H290	S191-W225 CarbonylContact C-O 3.53Å; N192-W225 PolarHBondContact N-O 3.05Å; L193-W225 PolarHBondContact N-O 2.92Å; L193-W225 VanDerWaalsContact N-O 3.12Å; L193-W225 VanDerWaalsContact O-CB 3.31Å; L193-W225 WeakPolarHBondContact O-CB 3.37Å; L193-W225 PolarHBondContact O-N 2.89Å; L195-W225 HydrophobicContact CD1-CB 3.57Å; L195-W225 HydrophobicContact CD1-CD2 3.86Å; L195-W225 HydrophobicContact CD1-CE3 3.83Å; L195-W225 HydrophobicContact CD1-CG 3.74Å; L195-W225 HydrophobicContact CG-CB 3.9Å; L195-W225 HydrophobicContact CG-CG 4.04Å; L220-W225 HydrophobicContact CB-CZ2 3.78Å; L220-W225 HydrophobicContact CD2-CD2 4.42Å; L220-W225 HydrophobicContact CD2-CE3 4.32Å; L220-W225 HydrophobicContact CD2-CH2 3.49Å; L220-W225 VanDerWaalsContact CD2-CH2 3.49Å; L220-W225 HydrophobicContact CD2-CZ2 3.6Å; L220-W225 HydrophobicContact CD2-CZ3 3.85Å; L220-W225 HydrophobicContact CG-CZ2 4.29Å; P221-W225 PolarHBondContact O-NE1 3.41Å; W225-T265 HydrophobicContact CE3-CG2 4.09Å; W225-T265 HydrophobicContact CZ3-CG2 4.28Å; W225-N283 HydrophobicContact CD2-CB 3.87Å; W225-N283 VanDerWaalsContact CE2-ND2 3.28Å; W225-N283 HydrophobicContact CE3-CB 3.65Å; W225-N283 HydrophobicContact CH2-CB 3.94Å; W225-N283 HydrophobicContact CZ2-CB 4.15Å; W225-N283 HydrophobicContact CZ3-CB 3.72Å; W225-N283 PolarHBondContact NE1-ND2 3.32Å; W225-F287 HydrophobicContact CH2-CB 3.8Å; W225-F287 AromaticContact CH2-CD1 3.74Å; W225-F287 HydrophobicContact CH2-CD1 3.74Å; W225-F287 AromaticContact CH2-CG 3.98Å; W225-F287 HydrophobicContact CH2-CG 3.98Å; W225-F287 HydrophobicContact CZ2-CB 4.06Å; W225-F287 HydrophobicContact CZ2-CD1 4.49Å; W225-F287 HydrophobicContact CZ2-CG 4.35Å; W225-H290 AromaticContact CH2-CE1 3.54Å; W225-H290 AromaticContact CH2-NE2 3.73Å; W225-H290 AromaticContact CZ3-CE1 3.24Å; W225-H290 WeakPolarHBondContact CZ3-CE1 3.27Å; W225-H290 AromaticContact CZ3-NE2 3.37Å; W225-H290 WeakPolarHBondContact CZ3-NE2 3.33Å
226	T	96.3	Very high	93.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.5	168.1	-56.4	0	0	0	0	109.9	F170 L189 H190 G282	F170-T226 HydrophobicContact CD1-CG2 3.58Å; F170-T226 WeakPolarHBondContact CD1-OG1 3.22Å; F170-T226 HydrophobicContact CE1-CG2 3.82Å; F170-T226 VanDerWaalsContact CE1-OG1 3.26Å; F170-T226 WeakPolarHBondContact CE1-OG1 3.29Å; L189-T226 HydrophobicContact CB-CG2 3.84Å; L189-T226 HydrophobicContact CD2-CG2 4.13Å; L189-T226 HydrophobicContact CG-CG2 4.48Å; H190-T226 CarbonylContact O-C 3.54Å; H190-T226 VanDerWaalsContact O-CA 3.22Å; H190-T226 WeakPolarHBondContact O-CA 3.41Å; T226-G282 PolarHBondContact N-O 2.91Å; T226-G282 VanDerWaalsContact O-CA 3.3Å; T226-G282 WeakPolarHBondContact O-CA 3.22Å
227	V	96.6	Very high	93.9	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	149.2	171.4	-57.9	0	0	0	0	110.6	H190 L193 L195 H263 A264 T265	H190-V227 HydrophobicContact CB-CG2 3.83Å; H190-V227 PolarHBondContact N-O 2.9Å; H190-V227 PolarHBondContact O-N 3.3Å; L193-V227 HydrophobicContact CD1-CG1 4.15Å; L193-V227 HydrophobicContact CD1-CG2 3.63Å; L195-V227 HydrophobicContact CD1-CG1 3.88Å; L195-V227 HydrophobicContact CD2-CG1 4.24Å; V227-H263 HydrophobicContact CB-CB 3.81Å; V227-H263 HydrophobicContact CG1-CB 3.69Å; V227-H263 HydrophobicContact CG2-CB 3.99Å; V227-A264 CarbonylContact C-O 3.25Å; V227-A264 VanDerWaalsContact CA-O 3.26Å; V227-A264 WeakPolarHBondContact CA-O 3.39Å; V227-A264 WeakPolarHBondContact CB-O 3.28Å; V227-T265 HydrophobicContact CG1-CG2 4.23Å
228	F	96.5	Very high	94.2	Very high	14 Å²	14	44.8 Å²	44.8	6%	0.061	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.9	-175.5	-58.5	-77.2	0	0	0	110.9	L187 F188 L189 A264 T265 V267 L280	L187-F228 HydrophobicContact CD1-CB 4.11Å; L187-F228 HydrophobicContact CD1-CD1 4.46Å; L187-F228 HydrophobicContact CD2-CD1 3.87Å; L187-F228 HydrophobicContact CD2-CE1 4.41Å; L187-F228 HydrophobicContact CG-CD1 4.27Å; F188-F228 WeakPolarHBondContact O-CA 3.48Å; L189-F228 HydrophobicContact CD2-CD1 3.33Å; L189-F228 HydrophobicContact CD2-CE1 3.32Å; F228-A264 PolarHBondContact N-O 3.35Å; F228-T265 WeakPolarHBondContact CE2-O 3.45Å; F228-V267 HydrophobicContact CB-CB 4.45Å; F228-V267 HydrophobicContact CB-CG1 3.61Å; F228-V267 HydrophobicContact CB-CG2 3.94Å; F228-V267 HydrophobicContact CD1-CG2 4.14Å; F228-V267 HydrophobicContact CD2-CB 4.43Å; F228-V267 HydrophobicContact CD2-CG1 4.02Å; F228-V267 HydrophobicContact CD2-CG2 3.78Å; F228-V267 HydrophobicContact CE2-CG2 4.29Å; F228-V267 HydrophobicContact CG-CG1 4.08Å; F228-V267 HydrophobicContact CG-CG2 3.69Å; F228-L280 HydrophobicContact CE1-CB 4.08Å; F228-L280 HydrophobicContact CE2-CB 4.32Å; F228-L280 WeakPolarHBondContact CE2-O 3.45Å; F228-L280 HydrophobicContact CZ-CB 3.82Å
229	Q	94.6	Very high	94.5	Very high	60 Å²	60	43 Å²	43	28%	0.28	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.1	173	-174.7	-179.7	-1.2	0	0	110.3	F188 H190	F188-Q229 HydrophobicContact CB-CB 4.43Å; F188-Q229 PolarHBondContact N-O 3.25Å; F188-Q229 PolarHBondContact O-N 2.6Å; H190-Q229 PolarHBondContact NE2-OE1 3.17Å
230	S	92.7	Very high	94.6	Very high	33 Å²	33	40.3 Å²	40.3	23%	0.231	23%	0.23	C	C	.	.			trans	-146.9	147.3	174.2	-176.7	0	0	0	0	110.7	P186 H232 Y235	P186-S230 VanDerWaalsContact O-CB 3.32Å; P186-S230 WeakPolarHBondContact O-CB 3.4Å; P186-S230 PolarHBondContact O-OG 2.93Å; S230-H232 WeakPolarHBondContact OG-CB 3.28Å; S230-H232 PolarHBondContact OG-N 2.96Å; S230-Y235 VanDerWaalsContact CB-CD2 3.5Å; S230-Y235 VanDerWaalsContact OG-CD2 3.27Å; S230-Y235 WeakPolarHBondContact OG-CD2 3.34Å
231	N	90.3	Very high	94.7	Very high	165 Å²	165	40 Å²	40	88%	0.882	23%	0.228	S	C	*	.	S	Bend	trans	-96.9	1.7	168.5	-65	-9.4	0	0	0	111.9
232	H	94.6	Very high	94.7	Very high	62 Å²	62	40.2 Å²	40.2	29%	0.287	22%	0.223	S	C	.	.	S	Bend	trans	-92.8	133.5	179.7	-166.1	-64.1	0	0	0	110.4	P186 S230 T234 Y235	P186-H232 HydrophobicContact CB-CB 4.04Å; P186-H232 HydrophobicContact CG-CB 3.85Å; S230-H232 WeakPolarHBondContact OG-CB 3.28Å; S230-H232 PolarHBondContact OG-N 2.96Å; H232-T234 HydrophobicContact CB-CG2 4.42Å; H232-T234 WeakPolarHBondContact ND1-CB 3.48Å; H232-T234 WeakPolarHBondContact ND1-CG2 3.2Å; H232-T234 PolarHBondContact ND1-N 3.02Å; H232-T234 PolarHBondContact O-N 3.23Å; H232-Y235 HydrophobicContact CB-CD2 4.47Å; H232-Y235 PolarHBondContact O-N 2.68Å
233	S	93.9	Very high	94.6	Very high	92 Å²	92	39.2 Å²	39.2	64%	0.643	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	6.8	-178.1	65.9	0	0	0	0	115.3
234	T	95.7	Very high	94.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-24.7	178.3	-161.7	0	0	0	0	110.8	H232 D269 L270 G271 L272	H232-T234 HydrophobicContact CB-CG2 4.42Å; H232-T234 WeakPolarHBondContact ND1-CB 3.48Å; H232-T234 WeakPolarHBondContact ND1-CG2 3.2Å; H232-T234 PolarHBondContact ND1-N 3.02Å; H232-T234 PolarHBondContact O-N 3.23Å; T234-D269 WeakPolarHBondContact CG2-OD1 3.38Å; T234-D269 CarbonylContact O-C 3.44Å; T234-D269 WeakPolarHBondContact O-CA 3.16Å; T234-D269 PolarHBondContact OG1-OD1 3.41Å; T234-L270 WeakPolarHBondContact O-CG 3.35Å; T234-L270 PolarHBondContact O-N 3.09Å; T234-G271 PolarHBondContact OG1-N 2.71Å; T234-L272 PolarHBondContact OG1-N 3.28Å
235	Y	96.9	Very high	93	Very high	24 Å²	24	42.7 Å²	42.7	9%	0.094	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.9	-177.1	-61.2	-73.7	0	0	0	110.7	F185 P186 L187 S230 H232 V267 Q268 D269	F185-Y235 WeakPolarHBondContact CD1-OH 3.34Å; P186-Y235 HydrophobicContact CG-CE2 4.11Å; L187-Y235 HydrophobicContact CB-CE1 4.49Å; L187-Y235 HydrophobicContact CB-CE2 3.93Å; L187-Y235 HydrophobicContact CD1-CD1 4.07Å; L187-Y235 HydrophobicContact CD1-CD2 4Å; L187-Y235 HydrophobicContact CD1-CE1 4.21Å; L187-Y235 HydrophobicContact CD1-CE2 4.11Å; L187-Y235 HydrophobicContact CD1-CG 3.97Å; L187-Y235 HydrophobicContact CD2-CD1 4.42Å; L187-Y235 HydrophobicContact CD2-CE1 3.93Å; L187-Y235 HydrophobicContact CG-CE1 4.45Å; L187-Y235 HydrophobicContact CG-CE2 4.5Å; S230-Y235 VanDerWaalsContact CB-CD2 3.5Å; S230-Y235 VanDerWaalsContact OG-CD2 3.27Å; S230-Y235 WeakPolarHBondContact OG-CD2 3.34Å; H232-Y235 HydrophobicContact CB-CD2 4.47Å; H232-Y235 PolarHBondContact O-N 2.68Å; Y235-V267 HydrophobicContact CD1-CG2 4.39Å; Y235-Q268 CarbonylContact C-O 3.54Å; Y235-Q268 VanDerWaalsContact CA-O 3.28Å; Y235-Q268 WeakPolarHBondContact CA-O 3.47Å; Y235-D269 HydrophobicContact CD1-CB 3.86Å; Y235-D269 HydrophobicContact CE1-CB 3.62Å
236	E	96.3	Very high	90.8	Very high	71 Å²	71	48.8 Å²	48.8	33%	0.332	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.3	175.3	-64.4	-174.2	160.7	0	0	109.9	V267 Q268 L270	E236-V267 WeakPolarHBondContact O-CA 2.94Å; E236-Q268 PolarHBondContact N-O 3.09Å; E236-Q268 PolarHBondContact O-N 2.89Å; E236-L270 HydrophobicContact CG-CD1 4.25Å
237	P	96.4	Very high	88.5	Confident	45 Å²	45	56 Å²	56	29%	0.292	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138.9	178.7	29.4	-33.8	0	0	0	111	N201 L240 A264	N201-P237 WeakPolarHBondContact CB-O 3.48Å; N201-P237 PolarHBondContact ND2-O 3.29Å; P237-L240 HydrophobicContact CB-CD1 4.45Å; P237-L240 HydrophobicContact CB-CD2 3.83Å; P237-L240 HydrophobicContact CB-CG 4.1Å; P237-L240 HydrophobicContact CG-CD2 4.45Å; P237-A264 HydrophobicContact CB-CB 3.92Å
238	V	97.2	Very high	86.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-49.6	174.8	-176.3	0	0	0	0	110.2	N201 L206 L207 V266 Q268 V293	N201-V238 PolarHBondContact N-O 3.27Å; L206-V238 HydrophobicContact CD1-CG2 4.41Å; L206-V238 HydrophobicContact CD2-CG1 4.15Å; L207-V238 HydrophobicContact CD2-CG1 4.16Å; V238-V266 HydrophobicContact CB-CB 4.15Å; V238-V266 HydrophobicContact CB-CG1 3.95Å; V238-V266 HydrophobicContact CG1-CG1 4.46Å; V238-V266 HydrophobicContact CG2-CG1 4.28Å; V238-V266 PolarHBondContact N-O 3.14Å; V238-Q268 HydrophobicContact CG2-CB 3.93Å; V238-V293 HydrophobicContact CG1-CG1 3.79Å; V238-V293 HydrophobicContact CG1-CG2 4.44Å
239	L	97.3	Very high	84.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140	173.7	-63.2	-174.2	0	0	0	110.2	S199 I200 A264 T265 V266 L289 V293	S199-L239 WeakPolarHBondContact O-CA 3.21Å; I200-L239 HydrophobicContact CB-CD2 4.21Å; I200-L239 HydrophobicContact CG1-CD2 3.69Å; I200-L239 HydrophobicContact CG2-CD2 4.35Å; L239-A264 CarbonylContact O-C 3.53Å; L239-A264 VanDerWaalsContact O-CA 3.3Å; L239-A264 WeakPolarHBondContact O-CA 3.25Å; L239-T265 VanDerWaalsContact CB-OG1 3.28Å; L239-T265 WeakPolarHBondContact CB-OG1 3.37Å; L239-T265 PolarHBondContact O-N 3.44Å; L239-T265 PolarHBondContact O-OG1 2.87Å; L239-V266 HydrophobicContact CB-CB 4.04Å; L239-V266 HydrophobicContact CB-CG2 4.08Å; L239-V266 HydrophobicContact CD1-CB 4.42Å; L239-V266 HydrophobicContact CD1-CG2 3.73Å; L239-V266 HydrophobicContact CG-CB 4.14Å; L239-V266 HydrophobicContact CG-CG2 4Å; L239-V266 PolarHBondContact N-O 2.92Å; L239-L289 HydrophobicContact CD1-CB 4.23Å; L239-V293 HydrophobicContact CD1-CG2 3.98Å; L239-V293 HydrophobicContact CD2-CG2 3.88Å; L239-V293 HydrophobicContact CG-CG2 4.01Å
240	L	95.9	Very high	81.9	Confident	32 Å²	32	64.1 Å²	64.1	17%	0.168	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.7	-174.8	-73	164	0	0	0	109.9	C198 S199 P237 L262 H263 A264	C198-L240 CarbonylContact C-O 3.59Å; C198-L240 WeakPolarHBondContact CA-O 3.37Å; S199-L240 PolarHBondContact N-O 3.35Å; S199-L240 PolarHBondContact O-N 3.17Å; S199-L240 PolarHBondContact OG-O 3.35Å; S199-L240 VanDerWaalsContact OG-O 3.05Å; P237-L240 HydrophobicContact CB-CD1 4.45Å; P237-L240 HydrophobicContact CB-CD2 3.83Å; P237-L240 HydrophobicContact CB-CG 4.1Å; P237-L240 HydrophobicContact CG-CD2 4.45Å; L240-L262 HydrophobicContact CB-CB 4.28Å; L240-L262 HydrophobicContact CD2-CB 4.28Å; L240-H263 CarbonylContact C-O 3.54Å; L240-H263 VanDerWaalsContact CA-O 3.31Å; L240-H263 WeakPolarHBondContact CA-O 3.32Å; L240-A264 HydrophobicContact CD2-CB 4.21Å
241	A	95.3	Very high	79.8	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	160.5	179.5	0	0	0	0	0	112.2	L195 C198 L220 H263 T265	L195-A241 HydrophobicContact CB-CB 4.25Å; L195-A241 HydrophobicContact CD1-CB 4.23Å; C198-A241 HydrophobicContact CB-CB 4.38Å; L220-A241 HydrophobicContact CD1-CB 4.3Å; A241-H263 PolarHBondContact N-O 2.88Å; A241-H263 PolarHBondContact O-N 3.07Å; A241-T265 HydrophobicContact CB-CG2 3.83Å
242	K	93.1	Very high	77.9	Confident	70 Å²	70	64 Å²	64	30%	0.304	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	152.3	174.6	-63.7	178.4	-176.7	168.6	0	110.9	L195 K196 D197 A260 L262	L195-K242 CarbonylContact C-O 3.47Å; L195-K242 VanDerWaalsContact CA-O 3.3Å; L195-K242 WeakPolarHBondContact CA-O 3.47Å; K196-K242 HydrophobicContact CG-CB 4.2Å; K196-K242 PolarHBondContact N-O 3.37Å; K196-K242 PolarHBondContact O-N 3.22Å; K196-K242 VanDerWaalsContact O-O 3.12Å; D197-K242 HydrophobicContact CB-CD 4.17Å; D197-K242 HydrophobicContact CB-CG 4.49Å; K242-A260 HydrophobicContact CD-CB 4.1Å; K242-A260 HydrophobicContact CG-CB 4.39Å; K242-L262 HydrophobicContact CG-CD2 3.73Å
243	T	88.5	Confident	75.5	Confident	21 Å²	21	64.4 Å²	64.4	13%	0.129	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	149.2	168.4	54.4	0	0	0	0	111.3	L195 K196 S245	L195-T243 HydrophobicContact CD2-CG2 4.34Å; K196-T243 WeakPolarHBondContact CE-O 3.46Å; T243-S245 PolarHBondContact OG1-O 3.33Å
244	R	81.5	Confident	72.7	Confident	141 Å²	141	65.2 Å²	65.2	53%	0.532	38%	0.384	S	S	.	.	S	Bend	trans	-70.9	-39.8	175.8	-173.8	176.9	175.4	-176.3	-1.4	111.9	G194 E223	G194-R244 WeakPolarHBondContact O-CB 3.47Å; G194-R244 PolarHBondContact O-N 3.05Å; E223-R244 IonicContact OE1-CZ 3.94Å; E223-R244 IonicContact OE1-NH1 2.79Å; E223-R244 PolarHBondContact OE1-NH1 3.46Å
245	S	67	Low	70	Confident	62 Å²	62	73.2 Å²	73.2	43%	0.434	43%	0.427	S	S	.	.	S	Bend	trans	-87.2	142.2	174.5	53.3	0	0	0	0	111.5	T243 E247	T243-S245 PolarHBondContact OG1-O 3.33Å; S245-E247 PolarHBondContact O-N 2.98Å
246	S	49.9	Very low	67.2	Low	131 Å²	131	75.8 Å²	75.8	92%	0.916	45%	0.454	S	S	*	.			trans	-75.3	5.3	171.6	49.9	0	0	0	0	113.3	S248	S246-S248 PolarHBondContact O-N 3.22Å; S246-S248 VanDerWaalsContact O-N 3.15Å
247	E	47.4	Very low	64.2	Low	151 Å²	151	75.7 Å²	75.7	71%	0.706	47%	0.471	S	S	*	.			trans	-71.8	107.3	173.9	-69.9	179.1	174.2	0	0	107.9	S245 I249	S245-E247 PolarHBondContact O-N 2.98Å; E247-I249 PolarHBondContact O-N 3.39Å; E247-I249 VanDerWaalsContact O-N 3.09Å
248	S	48.9	Very low	61.4	Low	97 Å²	97	82.2 Å²	82.2	68%	0.678	50%	0.503	S	S	*	.			trans	-47.4	118.4	161	51.1	0	0	0	0	107.7	S246 P250	S246-S248 PolarHBondContact O-N 3.22Å; S246-S248 VanDerWaalsContact O-N 3.15Å; S248-P250 WeakPolarHBondContact O-CD 3.37Å
249	I	53.9	Low	58.9	Low	32 Å²	32	90 Å²	90	16%	0.164	54%	0.539	C	S	.	.			trans	-51.7	116.4	169.7	-65.4	165.6	0	0	0	105.5	L193 E247 H251 L252	L193-I249 HydrophobicContact CD1-CD1 4.21Å; E247-I249 PolarHBondContact O-N 3.39Å; E247-I249 VanDerWaalsContact O-N 3.09Å; I249-H251 PolarHBondContact O-N 3.35Å; I249-L252 HydrophobicContact CB-CB 4.32Å; I249-L252 HydrophobicContact CB-CD1 3.53Å; I249-L252 HydrophobicContact CB-CG 4.5Å; I249-L252 HydrophobicContact CD1-CD1 3.41Å; I249-L252 VanDerWaalsContact CD1-CD1 3.41Å; I249-L252 HydrophobicContact CG1-CD1 4.02Å; I249-L252 HydrophobicContact CG2-CD1 3.72Å; I249-L252 PolarHBondContact O-N 3.1Å
250	P	46.5	Very low	56.9	Low	117 Å²	117	93 Å²	93	76%	0.76	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-2.2	-165	3.2	-8.8	0	0	0	115.1	S248	S248-P250 WeakPolarHBondContact O-CD 3.37Å
251	H	49.8	Very low	55.8	Low	149 Å²	149	93.9 Å²	93.9	69%	0.69	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	-2.8	178.6	-53.3	-50	0	0	0	114.1	I249	I249-H251 PolarHBondContact O-N 3.35Å
252	L	50.8	Low	55.5	Low	46 Å²	46	98 Å²	98	24%	0.241	60%	0.597	C	S	.	*	S	Bend	trans	-93.5	106.9	171	-90.1	132.1	0	0	0	108	I249	I249-L252 HydrophobicContact CB-CB 4.32Å; I249-L252 HydrophobicContact CB-CD1 3.53Å; I249-L252 HydrophobicContact CB-CG 4.5Å; I249-L252 HydrophobicContact CD1-CD1 3.41Å; I249-L252 VanDerWaalsContact CD1-CD1 3.41Å; I249-L252 HydrophobicContact CG1-CD1 4.02Å; I249-L252 HydrophobicContact CG2-CD1 3.72Å; I249-L252 PolarHBondContact O-N 3.1Å
253	G	43.1	Very low	55.6	Low	71 Å²	71	95.6 Å²	95.6	73%	0.732	59%	0.587	S	S	*	*			trans	-48.6	148.4	-166.3	0	0	0	0	0	116.4	D255	G253-D255 PolarHBondContact O-N 3.29Å
254	A	35.9	Very low	56	Low	109 Å²	109	95.1 Å²	95.1	90%	0.901	59%	0.585	S	S	*	*	S	Bend	trans	-73.9	38.8	-173.7	0	0	0	0	0	115.5
255	D	37.9	Very low	56.7	Low	168 Å²	168	88.4 Å²	88.4	90%	0.898	56%	0.56	S	S	*	*			trans	-125.6	62.5	177.7	-93.2	-22.9	0	0	0	111.4	G253	G253-D255 PolarHBondContact O-N 3.29Å
256	A	38	Very low	58.2	Low	79 Å²	79	85.4 Å²	85.4	65%	0.653	54%	0.539	S	S	*	.			trans	-156.9	97.4	158.6	0	0	0	0	0	109.5
257	G	34.1	Very low	60.5	Low	68 Å²	68	79.4 Å²	79.4	70%	0.701	50%	0.497	S	S	*	.			trans	-62.8	142.9	173.4	0	0	0	0	0	112.7	H259	G257-H259 PolarHBondContact O-N 2.94Å
258	L	37.8	Very low	62.9	Low	182 Å²	182	72.2 Å²	72.2	95%	0.953	46%	0.463	S	S	*	.	S	Bend	trans	54.8	2	157.1	-125.7	79.3	0	0	0	120.8
259	H	43.1	Very low	65.2	Low	164 Å²	164	67.7 Å²	67.7	76%	0.759	43%	0.431	S	S	*	.	S	Bend	trans	-117	124.7	168.5	-71.6	-74.4	0	0	0	109.8	G257 A261	G257-H259 PolarHBondContact O-N 2.94Å; H259-A261 PolarHBondContact O-N 3.32Å
260	A	55.6	Low	67.2	Low	62 Å²	62	68.3 Å²	68.3	51%	0.512	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-50.8	119	172.5	0	0	0	0	0	109.4	K242 L262	K242-A260 HydrophobicContact CD-CB 4.1Å; K242-A260 HydrophobicContact CG-CB 4.39Å; A260-L262 PolarHBondContact O-N 3.04Å
261	A	74.2	Confident	69.5	Low	51 Å²	51	63.1 Å²	63.1	42%	0.421	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-56.4	128.9	-174.3	0	0	0	0	0	110.4	H259 H263	H259-A261 PolarHBondContact O-N 3.32Å; A261-H263 PolarHBondContact O-CD2 3.34Å; A261-H263 PolarHBondContact O-NE2 2.84Å
262	L	88.6	Confident	71.7	Confident	87 Å²	87	61.3 Å²	61.3	46%	0.455	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.9	174.5	-71.9	172.8	0	0	0	109.1	L240 K242 A260	L240-L262 HydrophobicContact CB-CB 4.28Å; L240-L262 HydrophobicContact CD2-CB 4.28Å; K242-L262 HydrophobicContact CG-CD2 3.73Å; A260-L262 PolarHBondContact O-N 3.04Å
263	H	94.3	Very high	73.8	Confident	19 Å²	19	63.4 Å²	63.4	9%	0.088	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.6	-177.4	-61	-75.9	0	0	0	111.1	V227 L240 A241 A261 T265	V227-H263 HydrophobicContact CB-CB 3.81Å; V227-H263 HydrophobicContact CG1-CB 3.69Å; V227-H263 HydrophobicContact CG2-CB 3.99Å; L240-H263 CarbonylContact C-O 3.54Å; L240-H263 VanDerWaalsContact CA-O 3.31Å; L240-H263 WeakPolarHBondContact CA-O 3.32Å; A241-H263 PolarHBondContact N-O 2.88Å; A241-H263 PolarHBondContact O-N 3.07Å; A261-H263 PolarHBondContact O-CD2 3.34Å; A261-H263 PolarHBondContact O-NE2 2.84Å; H263-T265 PolarHBondContact O-N 3.33Å
264	A	96.6	Very high	76.3	Confident	11 Å²	11	62.2 Å²	62.2	9%	0.091	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	116	-176.6	0	0	0	0	0	111.2	V227 F228 P237 L239 L240 V267	V227-A264 CarbonylContact C-O 3.25Å; V227-A264 VanDerWaalsContact CA-O 3.26Å; V227-A264 WeakPolarHBondContact CA-O 3.39Å; V227-A264 WeakPolarHBondContact CB-O 3.28Å; F228-A264 PolarHBondContact N-O 3.35Å; P237-A264 HydrophobicContact CB-CB 3.92Å; L239-A264 CarbonylContact O-C 3.53Å; L239-A264 VanDerWaalsContact O-CA 3.3Å; L239-A264 WeakPolarHBondContact O-CA 3.25Å; L240-A264 HydrophobicContact CD2-CB 4.21Å; A264-V267 HydrophobicContact CB-CG1 3.61Å
265	T	96.9	Very high	79.1	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-20.1	174.8	55.9	0	0	0	0	112.3	L195 W225 V227 F228 L239 A241 H263 G282	L195-T265 HydrophobicContact CD1-CG2 3.41Å; L195-T265 VanDerWaalsContact CD1-CG2 3.41Å; W225-T265 HydrophobicContact CE3-CG2 4.09Å; W225-T265 HydrophobicContact CZ3-CG2 4.28Å; V227-T265 HydrophobicContact CG1-CG2 4.23Å; F228-T265 WeakPolarHBondContact CE2-O 3.45Å; L239-T265 VanDerWaalsContact CB-OG1 3.28Å; L239-T265 WeakPolarHBondContact CB-OG1 3.37Å; L239-T265 PolarHBondContact O-N 3.44Å; L239-T265 PolarHBondContact O-OG1 2.87Å; A241-T265 HydrophobicContact CB-CG2 3.83Å; H263-T265 PolarHBondContact O-N 3.33Å; T265-G282 PolarHBondContact O-N 3.49Å
266	V	98.4	Very high	82	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.4	170.1	-178	0	0	0	0	108.5	V238 L239 V279 L280 F281 V293	V238-V266 HydrophobicContact CB-CB 4.15Å; V238-V266 HydrophobicContact CB-CG1 3.95Å; V238-V266 HydrophobicContact CG1-CG1 4.46Å; V238-V266 HydrophobicContact CG2-CG1 4.28Å; V238-V266 PolarHBondContact N-O 3.14Å; L239-V266 HydrophobicContact CB-CB 4.04Å; L239-V266 HydrophobicContact CB-CG2 4.08Å; L239-V266 HydrophobicContact CD1-CB 4.42Å; L239-V266 HydrophobicContact CD1-CG2 3.73Å; L239-V266 HydrophobicContact CG-CB 4.14Å; L239-V266 HydrophobicContact CG-CG2 4Å; L239-V266 PolarHBondContact N-O 2.92Å; V266-V279 HydrophobicContact CG1-CG1 3.95Å; V266-L280 VanDerWaalsContact CA-O 3.29Å; V266-L280 WeakPolarHBondContact CA-O 3.35Å; V266-L280 WeakPolarHBondContact CG1-O 3.26Å; V266-F281 HydrophobicContact CG1-CD1 4.23Å; V266-F281 HydrophobicContact CG1-CE1 4.12Å; V266-F281 HydrophobicContact CG1-CG 4.48Å; V266-F281 HydrophobicContact CG1-CZ 4.28Å; V266-F281 HydrophobicContact CG2-CD1 3.53Å; V266-F281 HydrophobicContact CG2-CE1 3.87Å; V266-F281 HydrophobicContact CG2-CG 4.22Å; V266-V293 HydrophobicContact CG1-CG1 4.08Å
267	V	98.2	Very high	84.8	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.03	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.6	175.9	-66.2	0	0	0	0	111.1	F228 Y235 E236 A264 V279 L280	F228-V267 HydrophobicContact CB-CB 4.45Å; F228-V267 HydrophobicContact CB-CG1 3.61Å; F228-V267 HydrophobicContact CB-CG2 3.94Å; F228-V267 HydrophobicContact CD1-CG2 4.14Å; F228-V267 HydrophobicContact CD2-CB 4.43Å; F228-V267 HydrophobicContact CD2-CG1 4.02Å; F228-V267 HydrophobicContact CD2-CG2 3.78Å; F228-V267 HydrophobicContact CE2-CG2 4.29Å; F228-V267 HydrophobicContact CG-CG1 4.08Å; F228-V267 HydrophobicContact CG-CG2 3.69Å; Y235-V267 HydrophobicContact CD1-CG2 4.39Å; E236-V267 WeakPolarHBondContact O-CA 2.94Å; A264-V267 HydrophobicContact CB-CG1 3.61Å; V267-V279 WeakPolarHBondContact O-CA 3.4Å; V267-L280 HydrophobicContact CG2-CB 3.91Å; V267-L280 HydrophobicContact CG2-CD1 4.34Å; V267-L280 HydrophobicContact CG2-CG 4.49Å; V267-L280 PolarHBondContact N-O 2.84Å; V267-L280 PolarHBondContact O-N 3.47Å
268	Q	97.5	Very high	87.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.2	168.2	175.7	177.8	-4.9	0	0	108.9	Y235 E236 V238 L270	Y235-Q268 CarbonylContact C-O 3.54Å; Y235-Q268 VanDerWaalsContact CA-O 3.28Å; Y235-Q268 WeakPolarHBondContact CA-O 3.47Å; E236-Q268 PolarHBondContact N-O 3.09Å; E236-Q268 PolarHBondContact O-N 2.89Å; V238-Q268 HydrophobicContact CG2-CB 3.93Å; Q268-L270 HydrophobicContact CG-CD2 4.37Å
269	D	97.6	Very high	90.8	Very high	1 Å²	1	40 Å²	40	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.9	169.1	-177.7	5.6	0	0	0	109	T234 Y235 G271 Q277 R278	T234-D269 WeakPolarHBondContact CG2-OD1 3.38Å; T234-D269 CarbonylContact O-C 3.44Å; T234-D269 WeakPolarHBondContact O-CA 3.16Å; T234-D269 PolarHBondContact OG1-OD1 3.41Å; Y235-D269 HydrophobicContact CD1-CB 3.86Å; Y235-D269 HydrophobicContact CE1-CB 3.62Å; D269-G271 PolarHBondContact O-N 3.22Å; D269-G271 PolarHBondContact OD1-N 3.35Å; D269-Q277 WeakPolarHBondContact O-CA 3.28Å; D269-R278 HydrophobicContact CB-CB 3.84Å; D269-R278 HydrophobicContact CB-CG 4.29Å; D269-R278 PolarHBondContact N-O 3.31Å; D269-R278 PolarHBondContact O-N 2.93Å; D269-R278 IonicContact OD2-NH1 3.71Å; D269-R278 PolarHBondContact OD2-NH1 3.42Å
270	L	95.9	Very high	93.4	Very high	45 Å²	45	32.5 Å²	32.5	24%	0.236	20%	0.198	C	C	.	.			trans	-74	-6.3	179	-60.3	174.4	0	0	0	112.8	T234 E236 Q268 L272	T234-L270 WeakPolarHBondContact O-CG 3.35Å; T234-L270 PolarHBondContact O-N 3.09Å; E236-L270 HydrophobicContact CG-CD1 4.25Å; Q268-L270 HydrophobicContact CG-CD2 4.37Å; L270-L272 HydrophobicContact CB-CG 4.07Å; L270-L272 HydrophobicContact CD1-CD1 4.48Å
271	G	95.5	Very high	95.5	Very high	8 Å²	8	29.5 Å²	29.5	8%	0.082	17%	0.173	C	C	.	.	S	Bend	trans	75	21.5	-179.9	0	0	0	0	0	113.6	T234 D269 H273 G275 I276	T234-G271 PolarHBondContact OG1-N 2.71Å; D269-G271 PolarHBondContact O-N 3.22Å; D269-G271 PolarHBondContact OD1-N 3.35Å; G271-H273 PolarHBondContact O-N 3.35Å; G271-G275 WeakPolarHBondContact O-CA 3.36Å; G271-G275 PolarHBondContact O-N 3.48Å; G271-I276 WeakPolarHBondContact CA-O 3.44Å
272	L	96.4	Very high	96.6	Very high	112 Å²	112	27.1 Å²	27.1	59%	0.586	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.2	179.4	-56.9	178.4	0	0	0	112.6	T234 L270	T234-L272 PolarHBondContact OG1-N 3.28Å; L270-L272 HydrophobicContact CB-CG 4.07Å; L270-L272 HydrophobicContact CD1-CD1 4.48Å
273	H	93.9	Very high	97	Very high	89 Å²	89	23.3 Å²	23.3	41%	0.412	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-42.6	179.6	-179.1	-99.6	0	0	0	112.9	G184 G271	G184-H273 PolarHBondContact O-CE1 3.32Å; G271-H273 PolarHBondContact O-N 3.35Å
274	D	95.1	Very high	97	Very high	47 Å²	47	23.3 Å²	23.3	25%	0.251	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.3	6.2	-171.7	64	4.8	0	0	0	115	F185 I276 R278	F185-D274 WeakPolarHBondContact CE1-OD2 3.29Å; D274-I276 PolarHBondContact OD1-N 2.91Å; D274-I276 VanDerWaalsContact OD1-N 3.14Å; D274-R278 IonicContact OD1-CZ 3.85Å; D274-R278 IonicContact OD1-NH1 3.84Å; D274-R278 PolarHBondContact OD1-NH1 3.45Å; D274-R278 IonicContact OD1-NH2 3.94Å; D274-R278 IonicContact OD2-CZ 3.41Å; D274-R278 VanDerWaalsContact OD2-CZ 3.27Å; D274-R278 IonicContact OD2-NH1 2.68Å; D274-R278 PolarHBondContact OD2-NH1 3.29Å; D274-R278 IonicContact OD2-NH2 3.7Å; D274-R278 PolarHBondContact OD2-NH2 2.69Å
275	G	96.1	Very high	97	Very high	53 Å²	53	22.8 Å²	22.8	55%	0.546	13%	0.13	S	C	.	.	S	Bend	trans	82.5	5.4	178.6	0	0	0	0	0	115.2	G271	G271-G275 WeakPolarHBondContact O-CA 3.36Å; G271-G275 PolarHBondContact O-N 3.48Å
276	I	97.6	Very high	96.7	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	15%	0.15	C	C	.	.			trans	-114.9	121.8	-177.3	-58.2	169.9	0	0	0	110	D156 C159 V160 I166 G271 D274 R278	D156-I276 HydrophobicContact CB-CD1 3.89Å; C159-I276 HydrophobicContact CB-CD1 3.78Å; C159-I276 HydrophobicContact CB-CG1 3.83Å; C159-I276 HydrophobicContact CB-CG2 4.13Å; V160-I276 HydrophobicContact CG2-CD1 4.28Å; V160-I276 HydrophobicContact CG2-CG1 3.77Å; I166-I276 HydrophobicContact CD1-CG2 4.01Å; I166-I276 HydrophobicContact CG1-CG2 4.13Å; G271-I276 WeakPolarHBondContact CA-O 3.44Å; D274-I276 PolarHBondContact OD1-N 2.91Å; D274-I276 VanDerWaalsContact OD1-N 3.14Å; I276-R278 HydrophobicContact CG2-CG 4.25Å; I276-R278 PolarHBondContact O-NH1 3.16Å
277	Q	98.1	Very high	96.5	Very high	81 Å²	81	27 Å²	27	38%	0.379	15%	0.152	S	C	.	.			trans	-78.1	138.6	175.7	-65.3	-175.1	-48.1	0	0	111.3	G165 I166 D269 L301	G165-Q277 VanDerWaalsContact CA-O 3.27Å; G165-Q277 WeakPolarHBondContact CA-O 3.19Å; I166-Q277 PolarHBondContact N-O 3.23Å; D269-Q277 WeakPolarHBondContact O-CA 3.28Å; Q277-L301 HydrophobicContact CB-CD2 3.72Å
278	R	98.2	Very high	96.4	Very high	4 Å²	4	28 Å²	28	2%	0.015	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	158.4	-179.2	-43.3	-178.8	171.9	77.2	-1.2	113.2	Y144 I166 D269 D274 I276 L280	Y144-R278 PolarHBondContact OH-NH2 3.42Å; I166-R278 HydrophobicContact CB-CG 4.17Å; I166-R278 CarbonylContact O-C 3.57Å; I166-R278 WeakPolarHBondContact O-CA 3.42Å; I166-R278 WeakPolarHBondContact O-CB 3.26Å; D269-R278 HydrophobicContact CB-CB 3.84Å; D269-R278 HydrophobicContact CB-CG 4.29Å; D269-R278 PolarHBondContact N-O 3.31Å; D269-R278 PolarHBondContact O-N 2.93Å; D269-R278 IonicContact OD2-NH1 3.71Å; D269-R278 PolarHBondContact OD2-NH1 3.42Å; D274-R278 IonicContact OD1-CZ 3.85Å; D274-R278 IonicContact OD1-NH1 3.84Å; D274-R278 PolarHBondContact OD1-NH1 3.45Å; D274-R278 IonicContact OD1-NH2 3.94Å; D274-R278 IonicContact OD2-CZ 3.41Å; D274-R278 VanDerWaalsContact OD2-CZ 3.27Å; D274-R278 IonicContact OD2-NH1 2.68Å; D274-R278 PolarHBondContact OD2-NH1 3.29Å; D274-R278 IonicContact OD2-NH2 3.7Å; D274-R278 PolarHBondContact OD2-NH2 2.69Å; I276-R278 HydrophobicContact CG2-CG 4.25Å; I276-R278 PolarHBondContact O-NH1 3.16Å; R278-L280 HydrophobicContact CB-CD2 4.46Å
279	V	98.8	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.8	165.3	-176.9	0	0	0	0	108.1	I166 I167 G168 L206 V266 V267 F281 A297 L301	I166-V279 PolarHBondContact O-N 3.07Å; I167-V279 WeakPolarHBondContact CA-O 3.44Å; G168-V279 PolarHBondContact N-O 3.16Å; L206-V279 HydrophobicContact CD1-CB 4.33Å; L206-V279 HydrophobicContact CD1-CG1 3.89Å; L206-V279 HydrophobicContact CD1-CG2 3.43Å; L206-V279 VanDerWaalsContact CD1-CG2 3.43Å; V266-V279 HydrophobicContact CG1-CG1 3.95Å; V267-V279 WeakPolarHBondContact O-CA 3.4Å; V279-F281 HydrophobicContact CB-CE2 4.48Å; V279-F281 HydrophobicContact CG1-CD2 4.34Å; V279-F281 HydrophobicContact CG1-CE2 3.67Å; V279-F281 HydrophobicContact CG1-CZ 4.16Å; V279-A297 HydrophobicContact CB-CB 4.02Å; V279-A297 HydrophobicContact CG1-CB 3.94Å; V279-A297 HydrophobicContact CG2-CB 3.96Å; V279-L301 HydrophobicContact CB-CD1 4.46Å; V279-L301 HydrophobicContact CG2-CD1 3.97Å; V279-L301 HydrophobicContact CG2-CD2 4.41Å; V279-L301 HydrophobicContact CG2-CG 4.19Å
280	L	98.6	Very high	96.2	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.026	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.6	-173.3	-56.4	178.1	0	0	0	110.6	I141 G168 L187 F228 V266 V267 R278	I141-L280 HydrophobicContact CD1-CD2 4.04Å; I141-L280 HydrophobicContact CG1-CD2 4.03Å; G168-L280 CarbonylContact O-C 3.58Å; G168-L280 VanDerWaalsContact O-CA 3.29Å; G168-L280 WeakPolarHBondContact O-CA 3.42Å; L187-L280 HydrophobicContact CD2-CD1 3.5Å; L187-L280 VanDerWaalsContact CD2-CD1 3.5Å; F228-L280 HydrophobicContact CE1-CB 4.08Å; F228-L280 HydrophobicContact CE2-CB 4.32Å; F228-L280 WeakPolarHBondContact CE2-O 3.45Å; F228-L280 HydrophobicContact CZ-CB 3.82Å; V266-L280 VanDerWaalsContact CA-O 3.29Å; V266-L280 WeakPolarHBondContact CA-O 3.35Å; V266-L280 WeakPolarHBondContact CG1-O 3.26Å; V267-L280 HydrophobicContact CG2-CB 3.91Å; V267-L280 HydrophobicContact CG2-CD1 4.34Å; V267-L280 HydrophobicContact CG2-CG 4.49Å; V267-L280 PolarHBondContact N-O 2.84Å; V267-L280 PolarHBondContact O-N 3.47Å; R278-L280 HydrophobicContact CB-CD2 4.46Å
281	F	98.7	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.9	179.6	-69.2	-100.5	0	0	0	110.5	I167 G168 F169 F170 V266 V279 N283 H290 V293 F294 A297	I167-F281 HydrophobicContact CG2-CD2 4.04Å; I167-F281 HydrophobicContact CG2-CE2 3.86Å; G168-F281 PolarHBondContact O-N 3.2Å; F169-F281 HydrophobicContact CD1-CB 3.48Å; F169-F281 VanDerWaalsContact CD1-CB 3.48Å; F169-F281 HydrophobicContact CD1-CD2 4.27Å; F169-F281 AromaticContact CD1-CG 3.95Å; F169-F281 HydrophobicContact CD1-CG 3.95Å; F169-F281 HydrophobicContact CE1-CB 3.77Å; F169-F281 HydrophobicContact CE1-CD1 4.21Å; F169-F281 AromaticContact CE1-CD2 3.89Å; F169-F281 HydrophobicContact CE1-CD2 3.89Å; F169-F281 AromaticContact CE1-CG 3.69Å; F169-F281 HydrophobicContact CE1-CG 3.69Å; F169-F281 HydrophobicContact CG-CB 4.26Å; F169-F281 HydrophobicContact CZ-CD2 4.15Å; F169-F281 HydrophobicContact CZ-CG 4.4Å; F170-F281 PolarHBondContact N-O 3.44Å; V266-F281 HydrophobicContact CG1-CD1 4.23Å; V266-F281 HydrophobicContact CG1-CE1 4.12Å; V266-F281 HydrophobicContact CG1-CG 4.48Å; V266-F281 HydrophobicContact CG1-CZ 4.28Å; V266-F281 HydrophobicContact CG2-CD1 3.53Å; V266-F281 HydrophobicContact CG2-CE1 3.87Å; V266-F281 HydrophobicContact CG2-CG 4.22Å; V279-F281 HydrophobicContact CB-CE2 4.48Å; V279-F281 HydrophobicContact CG1-CD2 4.34Å; V279-F281 HydrophobicContact CG1-CE2 3.67Å; V279-F281 HydrophobicContact CG1-CZ 4.16Å; F281-N283 VanDerWaalsContact C-N 3.29Å; F281-N283 PolarHBondContact O-N 3.31Å; F281-H290 HydrophobicContact CD1-CB 4.13Å; F281-H290 AromaticContact CD1-CG 3.91Å; F281-H290 HydrophobicContact CE1-CB 4.25Å; F281-V293 HydrophobicContact CE1-CB 4.22Å; F281-V293 HydrophobicContact CE1-CG1 4.03Å; F281-V293 HydrophobicContact CZ-CB 4.45Å; F281-V293 HydrophobicContact CZ-CG1 3.96Å; F281-F294 HydrophobicContact CE1-CB 4.42Å; F281-F294 HydrophobicContact CE2-CD2 4.5Å; F281-F294 HydrophobicContact CZ-CB 4.02Å; F281-A297 HydrophobicContact CE2-CB 4.48Å; F281-A297 HydrophobicContact CZ-CB 4.48Å
282	G	97.3	Very high	96.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-87	9.9	-177.4	0	0	0	0	0	114.9	F170 T226 T265	F170-G282 CarbonylContact O-C 3.49Å; F170-G282 WeakPolarHBondContact O-CA 3.42Å; T226-G282 PolarHBondContact N-O 2.91Å; T226-G282 VanDerWaalsContact O-CA 3.3Å; T226-G282 WeakPolarHBondContact O-CA 3.22Å; T265-G282 PolarHBondContact O-N 3.49Å
283	N	96.5	Very high	96.4	Very high	7 Å²	7	22.2 Å²	22.2	4%	0.037	12%	0.121	C	C	.	.	S	Bend	trans	-162.5	179	168.7	-152.1	-31.7	0	0	0	108.6	F169 F170 D224 W225 F281	F169-N283 WeakPolarHBondContact CD1-O 3.47Å; F170-N283 PolarHBondContact O-N 3.07Å; D224-N283 PolarHBondContact OD1-ND2 3.4Å; W225-N283 HydrophobicContact CD2-CB 3.87Å; W225-N283 VanDerWaalsContact CE2-ND2 3.28Å; W225-N283 HydrophobicContact CE3-CB 3.65Å; W225-N283 HydrophobicContact CH2-CB 3.94Å; W225-N283 HydrophobicContact CZ2-CB 4.15Å; W225-N283 HydrophobicContact CZ3-CB 3.72Å; W225-N283 PolarHBondContact NE1-ND2 3.32Å; F281-N283 VanDerWaalsContact C-N 3.29Å; F281-N283 PolarHBondContact O-N 3.31Å
284	N	94.9	Very high	96.6	Very high	20 Å²	20	18 Å²	18	11%	0.107	10%	0.101	C	C	.	.			trans	-69.7	-174.5	176.7	-69.2	2.3	0	0	0	112.7	L96 K171 N286 H290	L96-N284 HydrophobicContact CD1-CB 4.16Å; K171-N284 WeakPolarHBondContact CB-OD1 3.33Å; K171-N284 HydrophobicContact CD-CB 4.44Å; K171-N284 VanDerWaalsContact CD-CG 3.46Å; K171-N284 WeakPolarHBondContact CD-ND2 3.38Å; K171-N284 WeakPolarHBondContact CD-OD1 3.39Å; N284-N286 VanDerWaalsContact C-N 3.31Å; N284-N286 PolarHBondContact O-N 2.87Å; N284-H290 PolarHBondContact O-ND1 3.16Å
285	L	95.8	Very high	96.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	9.5	178.2	-64.6	177.5	0	0	0	114	L96 E99 V100 I103 F169 F287 H290 K291 F294	L96-L285 HydrophobicContact CD1-CB 4.21Å; L96-L285 HydrophobicContact CD1-CD1 4.06Å; L96-L285 HydrophobicContact CD1-CG 3.76Å; E99-L285 HydrophobicContact CB-CD1 4.33Å; E99-L285 WeakPolarHBondContact OE2-CB 3.42Å; V100-L285 HydrophobicContact CG2-CD1 3.82Å; I103-L285 HydrophobicContact CD1-CD1 3.87Å; F169-L285 HydrophobicContact CE1-CD2 3.65Å; F169-L285 HydrophobicContact CE1-CG 3.82Å; F169-L285 HydrophobicContact CZ-CD1 4.24Å; F169-L285 HydrophobicContact CZ-CD2 3.89Å; F169-L285 HydrophobicContact CZ-CG 4Å; L285-F287 PolarHBondContact O-N 3.05Å; L285-H290 HydrophobicContact CD2-CB 3.98Å; L285-K291 HydrophobicContact CB-CG 4.1Å; L285-K291 WeakPolarHBondContact O-CE 3.5Å; L285-K291 VanDerWaalsContact O-CG 3.29Å; L285-K291 WeakPolarHBondContact O-CG 3.28Å; L285-F294 HydrophobicContact CD2-CB 3.91Å; L285-F294 HydrophobicContact CD2-CG 4.22Å
286	N	91.8	Very high	96.9	Very high	78 Å²	78	14.1 Å²	14.1	42%	0.417	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.4	176	-73.3	-17.7	0	0	0	113	Q95 E99 N284	Q95-N286 PolarHBondContact NE2-OD1 2.96Å; E99-N286 PolarHBondContact OE1-OD1 2.89Å; N284-N286 VanDerWaalsContact C-N 3.31Å; N284-N286 PolarHBondContact O-N 2.87Å
287	F	94.9	Very high	96.9	Very high	10 Å²	10	14 Å²	14	4%	0.044	7%	0.068	C	C	.	.	S	Bend	trans	-84.2	126.6	174.2	-177.9	-132.6	0	0	0	110.5	C198 E216 L220 P221 W225 L285 L289 H290 K291	C198-F287 HydrophobicContact CB-CE1 4.18Å; C198-F287 HydrophobicContact CB-CZ 4Å; E216-F287 HydrophobicContact CG-CE2 4.26Å; E216-F287 HydrophobicContact CG-CZ 4.15Å; L220-F287 HydrophobicContact CD2-CD1 4.02Å; L220-F287 HydrophobicContact CD2-CE1 3.72Å; L220-F287 HydrophobicContact CD2-CE2 4.44Å; L220-F287 HydrophobicContact CD2-CG 4.47Å; L220-F287 HydrophobicContact CD2-CZ 3.96Å; L220-F287 HydrophobicContact CG-CE1 4.5Å; L220-F287 HydrophobicContact CG-CE2 4.42Å; L220-F287 HydrophobicContact CG-CZ 4.26Å; P221-F287 HydrophobicContact CG-CD2 4.34Å; W225-F287 HydrophobicContact CH2-CB 3.8Å; W225-F287 AromaticContact CH2-CD1 3.74Å; W225-F287 HydrophobicContact CH2-CD1 3.74Å; W225-F287 AromaticContact CH2-CG 3.98Å; W225-F287 HydrophobicContact CH2-CG 3.98Å; W225-F287 HydrophobicContact CZ2-CB 4.06Å; W225-F287 HydrophobicContact CZ2-CD1 4.49Å; W225-F287 HydrophobicContact CZ2-CG 4.35Å; L285-F287 PolarHBondContact O-N 3.05Å; F287-L289 VanDerWaalsContact C-N 3.35Å; F287-L289 HydrophobicContact CD1-CB 4.02Å; F287-L289 HydrophobicContact CE1-CB 3.56Å; F287-L289 HydrophobicContact CE1-CD1 3.98Å; F287-L289 HydrophobicContact CE1-CG 4.24Å; F287-L289 HydrophobicContact CZ-CB 3.95Å; F287-L289 HydrophobicContact CZ-CD1 3.79Å; F287-L289 HydrophobicContact CZ-CG 4.16Å; F287-L289 PolarHBondContact O-N 3.46Å; F287-H290 AromaticContact CD1-CD2 3.77Å; F287-H290 VanDerWaalsContact O-CB 3.32Å; F287-H290 WeakPolarHBondContact O-CB 3.3Å; F287-H290 PolarHBondContact O-N 3.33Å; F287-K291 PolarHBondContact O-N 3.36Å
288	W	94.2	Very high	96.9	Very high	25 Å²	25	10.3 Å²	10.3	10%	0.095	5%	0.051	C	C	.	.	H	α-helix	trans	-63.9	-34.6	-169.1	70.5	-97.5	0	0	0	113.6	E216 H290 K291 L292 G511 F515 F549 W553	E216-W288 HydrophobicContact CG-CZ2 4.28Å; E216-W288 PolarHBondContact OE1-NE1 2.93Å; W288-H290 VanDerWaalsContact C-N 3.27Å; W288-H290 PolarHBondContact O-N 2.88Å; W288-K291 WeakPolarHBondContact O-CB 3.28Å; W288-K291 PolarHBondContact O-N 3.37Å; W288-K291 VanDerWaalsContact O-N 3.09Å; W288-L292 HydrophobicContact CZ3-CD2 4.14Å; W288-L292 PolarHBondContact O-N 3.22Å; W288-L292 VanDerWaalsContact O-N 3.16Å; W288-G511 VanDerWaalsContact CB-O 3.29Å; W288-G511 WeakPolarHBondContact CB-O 3.33Å; W288-F515 HydrophobicContact CE3-CE1 4.39Å; W288-F549 HydrophobicContact CD2-CZ 4.29Å; W288-F549 HydrophobicContact CE3-CE1 4.33Å; W288-F549 HydrophobicContact CE3-CZ 4.22Å; W288-F549 HydrophobicContact CH2-CE1 4.24Å; W288-F549 AromaticContact CH2-CZ 3.7Å; W288-F549 HydrophobicContact CH2-CZ 3.7Å; W288-F549 HydrophobicContact CZ2-CE2 4.49Å; W288-F549 AromaticContact CZ2-CZ 3.75Å; W288-F549 HydrophobicContact CZ2-CZ 3.75Å; W288-F549 HydrophobicContact CZ3-CE1 4.05Å; W288-F549 AromaticContact CZ3-CZ 3.93Å; W288-F549 HydrophobicContact CZ3-CZ 3.93Å; W288-W553 HydrophobicContact CH2-CB 4.27Å; W288-W553 AromaticContact CH2-CD2 3.43Å; W288-W553 HydrophobicContact CH2-CD2 3.43Å; W288-W553 VanDerWaalsContact CH2-CD2 3.43Å; W288-W553 AromaticContact CH2-CE2 3.61Å; W288-W553 AromaticContact CH2-CE3 3.71Å; W288-W553 HydrophobicContact CH2-CE3 3.71Å; W288-W553 AromaticContact CH2-CG 3.69Å; W288-W553 HydrophobicContact CH2-CG 3.69Å; W288-W553 HydrophobicContact CH2-CH2 4.26Å; W288-W553 HydrophobicContact CH2-CZ2 4.03Å; W288-W553 HydrophobicContact CH2-CZ3 4.11Å; W288-W553 AromaticContact CH2-NE1 3.98Å; W288-W553 HydrophobicContact CZ2-CD2 4.24Å; W288-W553 AromaticContact CZ2-CE2 3.96Å; W288-W553 HydrophobicContact CZ2-CH2 4.33Å; W288-W553 HydrophobicContact CZ2-CZ2 4.01Å; W288-W553 HydrophobicContact CZ3-CB 4.35Å; W288-W553 HydrophobicContact CZ3-CD2 4.33Å; W288-W553 HydrophobicContact CZ3-CG 4.23Å
289	L	95.6	Very high	96.9	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.6	-30.8	174.2	-82.6	175.2	0	0	0	112.3	C198 I200 E216 L239 F287 K291 L292 V293 W553	C198-L289 HydrophobicContact CB-CD1 4.43Å; I200-L289 HydrophobicContact CD1-CD2 3.93Å; I200-L289 HydrophobicContact CG1-CD2 4.39Å; E216-L289 HydrophobicContact CB-CD1 3.99Å; E216-L289 HydrophobicContact CG-CD1 4.47Å; L239-L289 HydrophobicContact CD1-CB 4.23Å; F287-L289 VanDerWaalsContact C-N 3.35Å; F287-L289 HydrophobicContact CD1-CB 4.02Å; F287-L289 HydrophobicContact CE1-CB 3.56Å; F287-L289 HydrophobicContact CE1-CD1 3.98Å; F287-L289 HydrophobicContact CE1-CG 4.24Å; F287-L289 HydrophobicContact CZ-CB 3.95Å; F287-L289 HydrophobicContact CZ-CD1 3.79Å; F287-L289 HydrophobicContact CZ-CG 4.16Å; F287-L289 PolarHBondContact O-N 3.46Å; L289-K291 VanDerWaalsContact C-N 3.31Å; L289-K291 PolarHBondContact O-N 3.16Å; L289-L292 HydrophobicContact CD2-CD2 4.28Å; L289-L292 PolarHBondContact O-N 3.27Å; L289-V293 WeakPolarHBondContact O-CB 3.44Å; L289-V293 WeakPolarHBondContact O-CG2 3.46Å; L289-V293 PolarHBondContact O-N 2.76Å; L289-W553 HydrophobicContact CD1-CZ3 4.38Å; L289-W553 HydrophobicContact CD2-CE3 4.11Å; L289-W553 HydrophobicContact CD2-CZ3 4.12Å
290	H	97.1	Very high	96.8	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63.6	-39.2	172.5	-76.2	-167.1	0	0	0	111.3	W225 F281 N284 L285 F287 W288 L292 F294	W225-H290 AromaticContact CH2-CE1 3.54Å; W225-H290 AromaticContact CH2-NE2 3.73Å; W225-H290 AromaticContact CZ3-CE1 3.24Å; W225-H290 WeakPolarHBondContact CZ3-CE1 3.27Å; W225-H290 AromaticContact CZ3-NE2 3.37Å; W225-H290 WeakPolarHBondContact CZ3-NE2 3.33Å; F281-H290 HydrophobicContact CD1-CB 4.13Å; F281-H290 AromaticContact CD1-CG 3.91Å; F281-H290 HydrophobicContact CE1-CB 4.25Å; N284-H290 PolarHBondContact O-ND1 3.16Å; L285-H290 HydrophobicContact CD2-CB 3.98Å; F287-H290 AromaticContact CD1-CD2 3.77Å; F287-H290 VanDerWaalsContact O-CB 3.32Å; F287-H290 WeakPolarHBondContact O-CB 3.3Å; F287-H290 PolarHBondContact O-N 3.33Å; W288-H290 VanDerWaalsContact C-N 3.27Å; W288-H290 PolarHBondContact O-N 2.88Å; H290-L292 VanDerWaalsContact C-N 3.33Å; H290-L292 PolarHBondContact O-N 3.34Å; H290-F294 WeakPolarHBondContact O-CB 3.15Å; H290-F294 PolarHBondContact O-N 3.09Å
291	K	96.9	Very high	96.8	Very high	46 Å²	46	13.1 Å²	13.1	20%	0.2	6%	0.064	C	C	.	.	H	α-helix	trans	-62.3	-42.7	175.5	-59.1	-179.6	-174.4	178.3	0	111.3	I103 L285 F287 W288 L289 F294 V295 L516	I103-K291 HydrophobicContact CD1-CB 4.44Å; I103-K291 HydrophobicContact CD1-CG 4.47Å; L285-K291 HydrophobicContact CB-CG 4.1Å; L285-K291 WeakPolarHBondContact O-CE 3.5Å; L285-K291 VanDerWaalsContact O-CG 3.29Å; L285-K291 WeakPolarHBondContact O-CG 3.28Å; F287-K291 PolarHBondContact O-N 3.36Å; W288-K291 WeakPolarHBondContact O-CB 3.28Å; W288-K291 PolarHBondContact O-N 3.37Å; W288-K291 VanDerWaalsContact O-N 3.09Å; L289-K291 VanDerWaalsContact C-N 3.31Å; L289-K291 PolarHBondContact O-N 3.16Å; K291-F294 PolarHBondContact O-N 3.05Å; K291-V295 PolarHBondContact O-N 3.44Å; K291-L516 HydrophobicContact CB-CD2 3.97Å; K291-L516 HydrophobicContact CD-CD1 3.51Å; K291-L516 HydrophobicContact CD-CD2 3.79Å; K291-L516 HydrophobicContact CD-CG 4.25Å
292	L	96.3	Very high	96.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.1	-49.1	179.3	-175.1	57.7	0	0	0	111.7	V209 T210 W288 L289 H290 F294 V295 D296 F515 L519 T554	V209-L292 HydrophobicContact CG1-CD1 4.11Å; T210-L292 HydrophobicContact CG2-CD2 3.93Å; T210-L292 HydrophobicContact CG2-CG 4.21Å; T210-L292 WeakPolarHBondContact OG1-CG 3.38Å; W288-L292 HydrophobicContact CZ3-CD2 4.14Å; W288-L292 PolarHBondContact O-N 3.22Å; W288-L292 VanDerWaalsContact O-N 3.16Å; L289-L292 HydrophobicContact CD2-CD2 4.28Å; L289-L292 PolarHBondContact O-N 3.27Å; H290-L292 VanDerWaalsContact C-N 3.33Å; H290-L292 PolarHBondContact O-N 3.34Å; L292-F294 VanDerWaalsContact C-N 3.29Å; L292-F294 PolarHBondContact O-N 3Å; L292-V295 PolarHBondContact O-N 2.9Å; L292-D296 PolarHBondContact O-N 2.76Å; L292-F515 HydrophobicContact CD1-CZ 4.23Å; L292-F515 HydrophobicContact CD2-CZ 4.31Å; L292-L519 HydrophobicContact CD1-CD1 3.57Å; L292-L519 HydrophobicContact CD1-CD2 3.9Å; L292-L519 HydrophobicContact CD1-CG 4.41Å; L292-T554 HydrophobicContact CD1-CG2 4.21Å; L292-T554 HydrophobicContact CD2-CG2 4.4Å
293	V	97.9	Very high	96.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.8	-30.5	176.6	173.7	0	0	0	0	112.1	L206 V238 L239 V266 F281 L289 D296 A297	L206-V293 HydrophobicContact CD2-CG1 3.89Å; V238-V293 HydrophobicContact CG1-CG1 3.79Å; V238-V293 HydrophobicContact CG1-CG2 4.44Å; L239-V293 HydrophobicContact CD1-CG2 3.98Å; L239-V293 HydrophobicContact CD2-CG2 3.88Å; L239-V293 HydrophobicContact CG-CG2 4.01Å; V266-V293 HydrophobicContact CG1-CG1 4.08Å; F281-V293 HydrophobicContact CE1-CB 4.22Å; F281-V293 HydrophobicContact CE1-CG1 4.03Å; F281-V293 HydrophobicContact CZ-CB 4.45Å; F281-V293 HydrophobicContact CZ-CG1 3.96Å; L289-V293 WeakPolarHBondContact O-CB 3.44Å; L289-V293 WeakPolarHBondContact O-CG2 3.46Å; L289-V293 PolarHBondContact O-N 2.76Å; V293-D296 PolarHBondContact O-N 2.59Å; V293-A297 WeakPolarHBondContact O-CB 3.13Å; V293-A297 PolarHBondContact O-N 3.13Å
294	F	98.6	Very high	96.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.7	-41.8	174.4	174	-100.8	0	0	0	112.2	V100 I103 I137 I167 F169 F281 L285 H290 K291 L292 D296 A297 V298	V100-F294 HydrophobicContact CG1-CZ 3.99Å; V100-F294 HydrophobicContact CG2-CE2 4.44Å; V100-F294 HydrophobicContact CG2-CZ 4.31Å; I103-F294 HydrophobicContact CB-CD1 4.49Å; I103-F294 HydrophobicContact CB-CE1 4.11Å; I103-F294 HydrophobicContact CD1-CD1 3.82Å; I103-F294 HydrophobicContact CD1-CE1 4.15Å; I103-F294 HydrophobicContact CG2-CD1 3.97Å; I103-F294 HydrophobicContact CG2-CE1 3.78Å; I137-F294 HydrophobicContact CD1-CE2 3.98Å; I137-F294 HydrophobicContact CD1-CZ 3.83Å; I167-F294 HydrophobicContact CD1-CD2 4.14Å; I167-F294 HydrophobicContact CD1-CE2 3.83Å; I167-F294 HydrophobicContact CG2-CD2 4.25Å; I167-F294 HydrophobicContact CG2-CE2 4.18Å; F169-F294 HydrophobicContact CE2-CD2 4.41Å; F169-F294 HydrophobicContact CE2-CE2 4.29Å; F169-F294 AromaticContact CZ-CD2 3.81Å; F169-F294 HydrophobicContact CZ-CD2 3.81Å; F169-F294 HydrophobicContact CZ-CE2 4.09Å; F281-F294 HydrophobicContact CE1-CB 4.42Å; F281-F294 HydrophobicContact CE2-CD2 4.5Å; F281-F294 HydrophobicContact CZ-CB 4.02Å; L285-F294 HydrophobicContact CD2-CB 3.91Å; L285-F294 HydrophobicContact CD2-CG 4.22Å; H290-F294 WeakPolarHBondContact O-CB 3.15Å; H290-F294 PolarHBondContact O-N 3.09Å; K291-F294 PolarHBondContact O-N 3.05Å; L292-F294 VanDerWaalsContact C-N 3.29Å; L292-F294 PolarHBondContact O-N 3Å; F294-D296 VanDerWaalsContact C-N 3.29Å; F294-D296 PolarHBondContact O-N 3.48Å; F294-A297 PolarHBondContact O-N 2.99Å; F294-V298 HydrophobicContact CE1-CG2 4.05Å; F294-V298 HydrophobicContact CE2-CG2 4.12Å; F294-V298 HydrophobicContact CZ-CG2 3.82Å; F294-V298 WeakPolarHBondContact O-CG2 3.27Å; F294-V298 PolarHBondContact O-N 3.14Å
295	V	98.1	Very high	96.4	Very high	19 Å²	19	25.2 Å²	25.2	12%	0.115	13%	0.132	C	C	.	.	H	α-helix	trans	-59.6	-42.6	174.3	172.7	0	0	0	0	110.9	I103 V209 K291 L292 V298 A299 L519 L520	I103-V295 HydrophobicContact CG2-CG2 4.23Å; V209-V295 HydrophobicContact CG2-CG1 4.33Å; K291-V295 PolarHBondContact O-N 3.44Å; L292-V295 PolarHBondContact O-N 2.9Å; V295-V298 PolarHBondContact O-N 3.21Å; V295-A299 PolarHBondContact O-N 3.41Å; V295-A299 VanDerWaalsContact O-N 3.15Å; V295-L519 HydrophobicContact CG2-CD2 4.17Å; V295-L520 HydrophobicContact CG2-CD2 3.72Å
296	D	98.3	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.6	-38.3	176.2	-81.2	-9.3	0	0	0	112.8	L206 L207 Y208 V209 T210 L292 V293 F294 V298 A299 F300	L206-D296 HydrophobicContact CD2-CB 3.49Å; L206-D296 VanDerWaalsContact CD2-CB 3.49Å; L206-D296 HydrophobicContact CG-CB 4.38Å; L207-D296 WeakPolarHBondContact CA-OD2 3.46Å; Y208-D296 VanDerWaalsContact N-CG 3.32Å; Y208-D296 PolarHBondContact N-OD1 3.18Å; Y208-D296 PolarHBondContact N-OD2 3.21Å; V209-D296 WeakPolarHBondContact CA-OD1 3.45Å; V209-D296 VanDerWaalsContact CB-OD1 3.31Å; V209-D296 WeakPolarHBondContact CB-OD1 3.37Å; V209-D296 WeakPolarHBondContact CG2-OD1 3.47Å; V209-D296 PolarHBondContact N-OD1 3.4Å; V209-D296 PolarHBondContact N-OD2 2.86Å; T210-D296 WeakPolarHBondContact CB-OD2 3.4Å; T210-D296 PolarHBondContact N-OD2 2.98Å; T210-D296 PolarHBondContact OG1-OD2 2.83Å; L292-D296 PolarHBondContact O-N 2.76Å; V293-D296 PolarHBondContact O-N 2.59Å; F294-D296 VanDerWaalsContact C-N 3.29Å; F294-D296 PolarHBondContact O-N 3.48Å; D296-V298 PolarHBondContact O-N 2.92Å; D296-A299 PolarHBondContact O-N 2.91Å; D296-F300 VanDerWaalsContact O-CB 3.24Å; D296-F300 WeakPolarHBondContact O-CB 3.1Å; D296-F300 PolarHBondContact O-N 3.1Å
297	A	98.6	Very high	96.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.7	-42.7	176.1	0	0	0	0	0	112.1	I167 L206 V279 F281 V293 F294 F300 L301	I167-A297 HydrophobicContact CD1-CB 3.84Å; I167-A297 HydrophobicContact CG1-CB 4.35Å; L206-A297 HydrophobicContact CD1-CB 4.12Å; V279-A297 HydrophobicContact CB-CB 4.02Å; V279-A297 HydrophobicContact CG1-CB 3.94Å; V279-A297 HydrophobicContact CG2-CB 3.96Å; F281-A297 HydrophobicContact CE2-CB 4.48Å; F281-A297 HydrophobicContact CZ-CB 4.48Å; V293-A297 WeakPolarHBondContact O-CB 3.13Å; V293-A297 PolarHBondContact O-N 3.13Å; F294-A297 PolarHBondContact O-N 2.99Å; A297-F300 PolarHBondContact O-N 3.26Å; A297-L301 WeakPolarHBondContact O-CB 3.48Å; A297-L301 WeakPolarHBondContact O-CG 3.42Å; A297-L301 PolarHBondContact O-N 3.43Å
298	V	98.5	Very high	96.5	Very high	3 Å²	3	24 Å²	24	2%	0.018	13%	0.129	C	C	.	.	H	α-helix	trans	-62	-45.7	175	173.6	0	0	0	0	110.5	F109 L135 I167 F294 V295 D296 T302 L306	F109-V298 HydrophobicContact CD2-CG1 4.23Å; F109-V298 HydrophobicContact CE2-CG1 4.11Å; L135-V298 HydrophobicContact CD2-CB 4.26Å; L135-V298 HydrophobicContact CD2-CG1 4.05Å; L135-V298 HydrophobicContact CD2-CG2 3.94Å; I167-V298 HydrophobicContact CD1-CG2 3.76Å; F294-V298 HydrophobicContact CE1-CG2 4.05Å; F294-V298 HydrophobicContact CE2-CG2 4.12Å; F294-V298 HydrophobicContact CZ-CG2 3.82Å; F294-V298 WeakPolarHBondContact O-CG2 3.27Å; F294-V298 PolarHBondContact O-N 3.14Å; V295-V298 PolarHBondContact O-N 3.21Å; D296-V298 PolarHBondContact O-N 2.92Å; V298-T302 WeakPolarHBondContact O-CB 3.43Å; V298-T302 VanDerWaalsContact O-CG2 3.25Å; V298-T302 WeakPolarHBondContact O-CG2 3.17Å; V298-T302 PolarHBondContact O-N 3.17Å; V298-T302 PolarHBondContact O-OG1 2.8Å; V298-L306 HydrophobicContact CG1-CB 3.9Å
299	A	97.8	Very high	96.5	Very high	4 Å²	4	26 Å²	26	3%	0.033	15%	0.145	C	C	.	.	H	α-helix	trans	-64.2	-45.3	177.7	0	0	0	0	0	111.8	Y208 V295 D296 T302 G303 K304 L306	Y208-A299 HydrophobicContact CD1-CB 4.41Å; V295-A299 PolarHBondContact O-N 3.41Å; V295-A299 VanDerWaalsContact O-N 3.15Å; D296-A299 PolarHBondContact O-N 2.91Å; A299-T302 PolarHBondContact O-OG1 3.5Å; A299-G303 PolarHBondContact O-N 3.29Å; A299-K304 WeakPolarHBondContact O-CA 3.24Å; A299-K304 PolarHBondContact O-N 3.32Å; A299-L306 WeakPolarHBondContact CA-O 3.29Å
300	F	97.5	Very high	96.6	Very high	55 Å²	55	27.7 Å²	27.7	24%	0.241	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-54.9	-177.6	-179.6	-91.7	0	0	0	111.8	P205 L206 D296 A297 T302 G303	P205-F300 HydrophobicContact CB-CE2 4.34Å; P205-F300 WeakPolarHBondContact O-CD2 3.19Å; L206-F300 HydrophobicContact CB-CD2 4.49Å; L206-F300 HydrophobicContact CB-CG 4.45Å; L206-F300 HydrophobicContact CG-CB 4.25Å; L206-F300 HydrophobicContact CG-CG 4.47Å; D296-F300 VanDerWaalsContact O-CB 3.24Å; D296-F300 WeakPolarHBondContact O-CB 3.1Å; D296-F300 PolarHBondContact O-N 3.1Å; A297-F300 PolarHBondContact O-N 3.26Å; F300-T302 PolarHBondContact O-N 3.38Å; F300-T302 VanDerWaalsContact O-N 3.17Å; F300-G303 PolarHBondContact O-N 3.38Å; F300-G303 VanDerWaalsContact O-N 3.1Å
301	L	97.8	Very high	96.6	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.042	16%	0.162	C	C	.	.	H	α-helix	trans	-68.9	-16	-175.4	-68.3	175.8	0	0	0	113.7	L135 I167 Q277 V279 A297	L135-L301 HydrophobicContact CD1-CB 3.73Å; L135-L301 HydrophobicContact CD1-CD1 3.85Å; L135-L301 HydrophobicContact CD1-CG 4.49Å; I167-L301 HydrophobicContact CD1-CD1 4.37Å; I167-L301 HydrophobicContact CG1-CD1 3.57Å; Q277-L301 HydrophobicContact CB-CD2 3.72Å; V279-L301 HydrophobicContact CB-CD1 4.46Å; V279-L301 HydrophobicContact CG2-CD1 3.97Å; V279-L301 HydrophobicContact CG2-CD2 4.41Å; V279-L301 HydrophobicContact CG2-CG 4.19Å; A297-L301 WeakPolarHBondContact O-CB 3.48Å; A297-L301 WeakPolarHBondContact O-CG 3.42Å; A297-L301 PolarHBondContact O-N 3.43Å
302	T	96.8	Very high	96.7	Very high	10 Å²	10	27.3 Å²	27.3	6%	0.061	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	7	176.7	64.3	0	0	0	0	113.4	A134 L135 V298 A299 F300 K304 R305 L306	A134-T302 HydrophobicContact CB-CG2 4.48Å; L135-T302 HydrophobicContact CB-CG2 3.87Å; L135-T302 HydrophobicContact CD1-CG2 4.49Å; L135-T302 HydrophobicContact CD2-CG2 4.32Å; L135-T302 HydrophobicContact CG-CG2 4.47Å; V298-T302 WeakPolarHBondContact O-CB 3.43Å; V298-T302 VanDerWaalsContact O-CG2 3.25Å; V298-T302 WeakPolarHBondContact O-CG2 3.17Å; V298-T302 PolarHBondContact O-N 3.17Å; V298-T302 PolarHBondContact O-OG1 2.8Å; A299-T302 PolarHBondContact O-OG1 3.5Å; F300-T302 PolarHBondContact O-N 3.38Å; F300-T302 VanDerWaalsContact O-N 3.17Å; T302-K304 PolarHBondContact O-N 3.01Å; T302-R305 VanDerWaalsContact O-CB 3.3Å; T302-R305 WeakPolarHBondContact O-CB 3.45Å; T302-R305 WeakPolarHBondContact O-CG 3.37Å; T302-R305 PolarHBondContact O-N 3Å; T302-R305 VanDerWaalsContact O-N 3.15Å; T302-L306 HydrophobicContact CG2-CB 4.15Å; T302-L306 HydrophobicContact CG2-CD1 4.02Å; T302-L306 HydrophobicContact CG2-CG 4.14Å; T302-L306 PolarHBondContact OG1-N 3.46Å; T302-L306 VanDerWaalsContact OG1-N 3.12Å
303	G	94.1	Very high	96.8	Very high	63 Å²	63	28 Å²	28	65%	0.649	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	38.1	-175.3	0	0	0	0	0	112.1	A299 F300 R305	A299-G303 PolarHBondContact O-N 3.29Å; F300-G303 PolarHBondContact O-N 3.38Å; F300-G303 VanDerWaalsContact O-N 3.1Å; G303-R305 PolarHBondContact O-N 2.92Å
304	K	93.7	Very high	96.8	Very high	112 Å²	112	28.2 Å²	28.2	49%	0.487	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	10.7	-176.2	-58.8	-174.5	179	-174.2	0	115.6	A299 T302 L306 S307	A299-K304 WeakPolarHBondContact O-CA 3.24Å; A299-K304 PolarHBondContact O-N 3.32Å; T302-K304 PolarHBondContact O-N 3.01Å; K304-L306 VanDerWaalsContact C-N 3.3Å; K304-L306 PolarHBondContact O-N 3.46Å; K304-S307 PolarHBondContact O-OG 3.15Å
305	R	93.5	Very high	96.8	Very high	96 Å²	96	28.3 Å²	28.3	36%	0.362	16%	0.157	S	C	.	.	S	Bend	trans	-65.5	-33.5	173.8	-71.7	172.2	45.8	-161	-6.4	113	S79 T81 D82 T302 G303	S79-R305 PolarHBondContact OG-NH1 3Å; T81-R305 PolarHBondContact O-NH2 3.16Å; T81-R305 PolarHBondContact OG1-NH1 3.11Å; T81-R305 PolarHBondContact OG1-NH2 3.31Å; D82-R305 VanDerWaalsContact C-NH2 3.28Å; D82-R305 PolarHBondContact O-NH2 3.41Å; T302-R305 VanDerWaalsContact O-CB 3.3Å; T302-R305 WeakPolarHBondContact O-CB 3.45Å; T302-R305 WeakPolarHBondContact O-CG 3.37Å; T302-R305 PolarHBondContact O-N 3Å; T302-R305 VanDerWaalsContact O-N 3.15Å; G303-R305 PolarHBondContact O-N 2.92Å
306	L	95.5	Very high	96.8	Very high	7 Å²	7	27.4 Å²	27.4	4%	0.037	15%	0.152	C	C	.	.	S	Bend	trans	-109.1	77.1	169.5	-61.1	-176.8	0	0	0	107.8	P83 V85 F109 V298 A299 T302 K304	P83-L306 HydrophobicContact CB-CD2 3.93Å; V85-L306 HydrophobicContact CG2-CD1 3.35Å; F109-L306 HydrophobicContact CB-CD2 4.41Å; F109-L306 HydrophobicContact CD1-CB 4.43Å; F109-L306 HydrophobicContact CD1-CD2 4.04Å; F109-L306 HydrophobicContact CD2-CB 4.06Å; F109-L306 HydrophobicContact CE1-CB 4.4Å; F109-L306 HydrophobicContact CE2-CB 4.01Å; F109-L306 HydrophobicContact CG-CB 4.29Å; F109-L306 HydrophobicContact CG-CD2 4.15Å; F109-L306 HydrophobicContact CZ-CB 4.2Å; V298-L306 HydrophobicContact CG1-CB 3.9Å; A299-L306 WeakPolarHBondContact CA-O 3.29Å; T302-L306 HydrophobicContact CG2-CB 4.15Å; T302-L306 HydrophobicContact CG2-CD1 4.02Å; T302-L306 HydrophobicContact CG2-CG 4.14Å; T302-L306 PolarHBondContact OG1-N 3.46Å; T302-L306 VanDerWaalsContact OG1-N 3.12Å; K304-L306 VanDerWaalsContact C-N 3.3Å; K304-L306 PolarHBondContact O-N 3.46Å
307	S	95.6	Very high	96.8	Very high	35 Å²	35	27.4 Å²	27.4	25%	0.245	15%	0.152	C	C	.	.			trans	-144.1	148.7	176.6	71.3	0	0	0	0	111	K304	K304-S307 PolarHBondContact O-OG 3.15Å
308	L	94.8	Very high	96.8	Very high	22 Å²	22	27.4 Å²	27.4	12%	0.115	15%	0.152	C	C	.	.			trans	-91	150.6	170.5	-60.5	175.9	0	0	0	109.2	F109 L520 P522	F109-L308 HydrophobicContact CE1-CD2 4.36Å; F109-L308 HydrophobicContact CZ-CD2 4.37Å; F109-L308 HydrophobicContact CZ-CG 4.3Å; L308-L520 VanDerWaalsContact CD1-O 3.25Å; L308-L520 WeakPolarHBondContact CD1-O 3.36Å; L308-P522 HydrophobicContact CD2-CG 4.14Å
309	P	94.7	Very high	96.8	Very high	67 Å²	67	27.5 Å²	27.5	44%	0.435	15%	0.152	S	C	.	.			trans	-55.3	164	170.2	-23.8	34.2	0	0	0	111.5	R312	P309-R312 PolarHBondContact O-NH1 3.33Å; P309-R312 PolarHBondContact O-NH2 2.8Å
310	L	97.1	Very high	96.8	Very high	34 Å²	34	28.5 Å²	28.5	18%	0.178	16%	0.157	C	C	.	.	S	Bend	trans	-80.6	-18.9	172	-66.6	178.7	0	0	0	113.1	Y208 V209 N555 L556 R557	Y208-L310 HydrophobicContact CD1-CD2 4.41Å; Y208-L310 HydrophobicContact CD2-CD2 4.48Å; Y208-L310 HydrophobicContact CE1-CD2 4Å; Y208-L310 HydrophobicContact CE1-CG 4.43Å; Y208-L310 HydrophobicContact CE2-CD1 3.99Å; Y208-L310 HydrophobicContact CE2-CD2 4.07Å; Y208-L310 HydrophobicContact CE2-CG 3.97Å; V209-L310 HydrophobicContact CG2-CD2 4.05Å; L310-N555 HydrophobicContact CD1-CB 4.47Å; L310-L556 HydrophobicContact CD2-CD2 4.42Å; L310-L556 WeakPolarHBondContact O-CA 3.49Å; L310-L556 WeakPolarHBondContact O-CD2 3.49Å; L310-R557 PolarHBondContact O-N 3.3Å
311	D	97.6	Very high	96.8	Very high	35 Å²	35	25.9 Å²	25.9	19%	0.187	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	134.3	179.1	-62.4	-40.9	0	0	0	110.9	Y313 R557 Q559	D311-Y313 HydrophobicContact CB-CE2 4.19Å; D311-R557 WeakPolarHBondContact CA-O 3.24Å; D311-R557 VanDerWaalsContact CG-NH2 3.25Å; D311-R557 WeakPolarHBondContact OD1-CB 3.37Å; D311-R557 IonicContact OD1-CZ 3.2Å; D311-R557 IonicContact OD1-NE 3.57Å; D311-R557 PolarHBondContact OD1-NE 2.98Å; D311-R557 IonicContact OD1-NH2 2.84Å; D311-R557 PolarHBondContact OD1-NH2 2.93Å; D311-R557 IonicContact OD2-NH2 3.98Å; D311-R557 PolarHBondContact OD2-NH2 3.21Å; D311-Q559 VanDerWaalsContact CG-NE2 3.34Å; D311-Q559 PolarHBondContact OD1-NE2 2.77Å; D311-Q559 VanDerWaalsContact OD1-NE2 3.11Å
312	R	97.9	Very high	96.8	Very high	3 Å²	3	25.5 Å²	25.5	1%	0.011	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.2	174.2	-66.2	-65.9	177.4	-78.6	-1.7	109.4	P309 V518 L519 N521 P522 L556 R557 L558 Q559	P309-R312 PolarHBondContact O-NH1 3.33Å; P309-R312 PolarHBondContact O-NH2 2.8Å; R312-V518 HydrophobicContact CB-CG1 4.24Å; R312-V518 WeakPolarHBondContact CD-O 3.35Å; R312-V518 HydrophobicContact CG-CG1 4.06Å; R312-V518 PolarHBondContact NE-O 3.34Å; R312-L519 PolarHBondContact NE-O 3.32Å; R312-L519 PolarHBondContact NH2-O 3.49Å; R312-N521 WeakPolarHBondContact CD-O 3.46Å; R312-P522 WeakPolarHBondContact CA-O 3.45Å; R312-L556 HydrophobicContact CG-CB 4.24Å; R312-L556 HydrophobicContact CG-CD1 4.08Å; R312-L556 HydrophobicContact CG-CD2 4.06Å; R312-L556 HydrophobicContact CG-CG 4.35Å; R312-R557 PolarHBondContact N-O 3Å; R312-L558 HydrophobicContact CB-CD2 3.73Å; R312-L558 HydrophobicContact CG-CD2 4.24Å; R312-L558 CarbonylContact O-C 3.51Å; R312-L558 WeakPolarHBondContact O-CA 3.4Å; R312-Q559 PolarHBondContact O-N 3.18Å
313	Y	98.4	Very high	96.7	Very high	16 Å²	16	26.4 Å²	26.4	6%	0.063	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.3	176.5	-57.4	-93.1	0	0	0	109.6	D311 P522 I523 S524 Q559 L561 L566 K569	D311-Y313 HydrophobicContact CB-CE2 4.19Å; Y313-P522 PolarHBondContact N-O 3.15Å; Y313-I523 HydrophobicContact CD2-CG1 4.01Å; Y313-I523 HydrophobicContact CG-CG1 4.4Å; Y313-I523 CarbonylContact O-C 3.3Å; Y313-I523 WeakPolarHBondContact O-CA 3.44Å; Y313-S524 PolarHBondContact O-N 3.07Å; Y313-Q559 CarbonylContact C-O 3.52Å; Y313-Q559 VanDerWaalsContact CA-O 3.28Å; Y313-Q559 WeakPolarHBondContact CA-O 3.45Å; Y313-Q559 HydrophobicContact CD1-CB 3.86Å; Y313-Q559 HydrophobicContact CE1-CB 3.99Å; Y313-L561 HydrophobicContact CD1-CD1 3.56Å; Y313-L561 HydrophobicContact CD1-CG 3.74Å; Y313-L561 HydrophobicContact CE1-CD1 3.51Å; Y313-L561 HydrophobicContact CE1-CG 3.91Å; Y313-L566 VanDerWaalsContact CB-CD1 3.47Å; Y313-L566 HydrophobicContact CD1-CD1 4.39Å; Y313-L566 HydrophobicContact CG-CD1 4.07Å; Y313-K569 HydrophobicContact CE2-CG 4.18Å; Y313-K569 VanDerWaalsContact OH-CE 3.27Å; Y313-K569 WeakPolarHBondContact OH-CE 3.44Å; Y313-K569 PolarHBondContact OH-NZ 3.44Å
314	I	98.1	Very high	96.3	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.8	-178.8	-58.9	177.6	0	0	0	109	V316 I349 V518 S524 F526 L558 Q559 T560	I314-V316 HydrophobicContact CG2-CG2 4.16Å; I314-I349 HydrophobicContact CD1-CD1 4.38Å; I314-V518 HydrophobicContact CD1-CG1 4.14Å; I314-V518 HydrophobicContact CD1-CG2 4.34Å; I314-S524 WeakPolarHBondContact CA-O 3.4Å; I314-F526 HydrophobicContact CG2-CD2 4.08Å; I314-F526 HydrophobicContact CG2-CE2 4.15Å; I314-L558 HydrophobicContact CD1-CD1 4.22Å; I314-L558 HydrophobicContact CD1-CD2 4.1Å; I314-Q559 PolarHBondContact N-O 3.29Å; I314-T560 WeakPolarHBondContact O-CB 3.47Å; I314-T560 PolarHBondContact O-OG1 2.74Å
315	L	98.3	Very high	96.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132	167.9	179.5	66.1	0	0	0	107.9	N355 W385 S524 I525 F526 P563 L566	L315-N355 HydrophobicContact CD1-CB 3.98Å; L315-W385 HydrophobicContact CD1-CE3 4.01Å; L315-W385 HydrophobicContact CD1-CZ3 3.87Å; L315-S524 PolarHBondContact N-O 3.32Å; L315-I525 HydrophobicContact CB-CG1 4.25Å; L315-I525 HydrophobicContact CB-CG2 4.3Å; L315-I525 HydrophobicContact CD2-CG1 4.38Å; L315-I525 HydrophobicContact CD2-CG2 3.99Å; L315-I525 HydrophobicContact CG-CG2 4.29Å; L315-I525 CarbonylContact O-C 3.58Å; L315-I525 WeakPolarHBondContact O-CA 3.46Å; L315-F526 PolarHBondContact O-N 2.79Å; L315-P563 HydrophobicContact CD2-CB 4.44Å; L315-P563 HydrophobicContact CD2-CG 4.04Å; L315-L566 HydrophobicContact CB-CD2 3.85Å; L315-L566 HydrophobicContact CD2-CD2 4.04Å
316	V	98.6	Very high	96.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	109.1	175.2	-176.8	0	0	0	0	107.8	I314 F352 F354 N355 T528 Y533 F543	I314-V316 HydrophobicContact CG2-CG2 4.16Å; V316-F352 HydrophobicContact CB-CZ 4.32Å; V316-F352 HydrophobicContact CG2-CE2 4.19Å; V316-F352 HydrophobicContact CG2-CZ 4.01Å; V316-F354 HydrophobicContact CB-CD1 3.88Å; V316-F354 HydrophobicContact CB-CE1 4.04Å; V316-F354 HydrophobicContact CG1-CD1 3.87Å; V316-F354 HydrophobicContact CG1-CE1 3.85Å; V316-N355 PolarHBondContact O-N 2.9Å; V316-N355 VanDerWaalsContact O-N 3.1Å; V316-T528 HydrophobicContact CG1-CG2 4.36Å; V316-Y533 WeakPolarHBondContact CG1-OH 3.5Å; V316-F543 HydrophobicContact CB-CE2 4.43Å; V316-F543 HydrophobicContact CB-CZ 4.48Å; V316-F543 HydrophobicContact CG1-CD2 4.08Å; V316-F543 HydrophobicContact CG1-CE2 3.5Å; V316-F543 HydrophobicContact CG1-CZ 3.84Å; V316-F543 HydrophobicContact CG2-CD1 4Å; V316-F543 HydrophobicContact CG2-CD2 4.22Å; V316-F543 HydrophobicContact CG2-CE1 3.78Å; V316-F543 HydrophobicContact CG2-CE2 4.01Å; V316-F543 HydrophobicContact CG2-CG 4.23Å; V316-F543 HydrophobicContact CG2-CZ 3.79Å
317	D	98.6	Very high	95.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.7	176.6	-74.6	-12	0	0	0	108.8	N355 F387 Y427 R483 F526 T528	D317-N355 CarbonylContact C-O 3.55Å; D317-N355 WeakPolarHBondContact CA-O 3.4Å; D317-N355 WeakPolarHBondContact OD1-CB 3.48Å; D317-N355 PolarHBondContact OD1-ND2 2.76Å; D317-F387 HydrophobicContact CB-CE1 4.09Å; D317-F387 HydrophobicContact CB-CZ 4.11Å; D317-Y427 WeakPolarHBondContact OD2-CE1 3.12Å; D317-Y427 PolarHBondContact OD2-OH 3.42Å; D317-R483 IonicContact OD2-CZ 2.99Å; D317-R483 IonicContact OD2-NE 3.71Å; D317-R483 IonicContact OD2-NH2 2.84Å; D317-F526 PolarHBondContact N-O 2.82Å; D317-T528 PolarHBondContact O-N 2.95Å; D317-T528 PolarHBondContact O-OG1 3.09Å
318	I	98.5	Very high	95.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	96.7	175.1	-50.1	-178.6	0	0	0	107.4	I321 L338 F354 N355 L356 G357 Y533	I318-I321 HydrophobicContact CB-CD1 4.41Å; I318-I321 HydrophobicContact CG2-CD1 3.76Å; I318-L338 HydrophobicContact CD1-CD1 3.92Å; I318-L338 HydrophobicContact CD1-CD2 4.39Å; I318-F354 HydrophobicContact CD1-CB 4.03Å; I318-F354 HydrophobicContact CD1-CD1 3.89Å; I318-F354 HydrophobicContact CD1-CG 4.07Å; I318-F354 HydrophobicContact CG1-CD1 4.31Å; I318-N355 PolarHBondContact N-O 3.49Å; I318-L356 HydrophobicContact CD1-CD1 4.03Å; I318-L356 HydrophobicContact CG1-CD1 4.46Å; I318-G357 PolarHBondContact O-N 2.84Å; I318-Y533 HydrophobicContact CB-CE2 4.14Å; I318-Y533 HydrophobicContact CD1-CD1 4.21Å; I318-Y533 HydrophobicContact CD1-CD2 3.93Å; I318-Y533 HydrophobicContact CD1-CE1 3.83Å; I318-Y533 HydrophobicContact CD1-CE2 3.54Å; I318-Y533 HydrophobicContact CD1-CG 4.26Å; I318-Y533 VanDerWaalsContact CD1-CZ 3.48Å; I318-Y533 HydrophobicContact CG1-CD2 4.26Å; I318-Y533 HydrophobicContact CG1-CE1 4.48Å; I318-Y533 HydrophobicContact CG1-CE2 3.53Å; I318-Y533 HydrophobicContact CG2-CD2 3.74Å; I318-Y533 HydrophobicContact CG2-CE2 3.65Å
319	D	98.1	Very high	95.6	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	170.3	176.3	-66.2	4.9	0	0	0	109.9	I321 F387 H389 R483 T528 H529 L530	D319-I321 VanDerWaalsContact C-N 3.31Å; D319-I321 PolarHBondContact O-N 2.83Å; D319-F387 VanDerWaalsContact OD1-CZ 3.23Å; D319-F387 WeakPolarHBondContact OD1-CZ 3.13Å; D319-H389 IonicContact OD2-CE1 2.94Å; D319-R483 IonicContact OD1-CZ 3.22Å; D319-R483 IonicContact OD1-NH1 2.66Å; D319-R483 PolarHBondContact OD1-NH1 2.94Å; D319-R483 IonicContact OD1-NH2 3.11Å; D319-R483 PolarHBondContact OD1-NH2 2.96Å; D319-R483 IonicContact OD2-CZ 2.72Å; D319-R483 IonicContact OD2-NH1 3.57Å; D319-R483 PolarHBondContact OD2-NH1 2.64Å; D319-R483 IonicContact OD2-NH2 2.98Å; D319-R483 PolarHBondContact OD2-NH2 2.8Å; D319-T528 PolarHBondContact N-O 3.5Å; D319-H529 CarbonylContact O-C 3.3Å; D319-H529 WeakPolarHBondContact O-CA 3.41Å; D319-L530 PolarHBondContact O-N 3.31Å
320	D	97.4	Very high	95.8	Very high	26 Å²	26	26.4 Å²	26.4	14%	0.139	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.4	25.3	170.7	-63.6	-4.7	0	0	0	116.2	F322 V323 G357 H389 H393 H529 L530	D320-F322 PolarHBondContact O-N 3.27Å; D320-V323 HydrophobicContact CB-CB 3.96Å; D320-V323 HydrophobicContact CB-CG2 4.27Å; D320-V323 PolarHBondContact O-N 3.03Å; D320-G357 PolarHBondContact N-O 3.1Å; D320-H389 IonicContact OD1-CD2 3.17Å; D320-H389 PolarHBondContact OD1-CD2 2.87Å; D320-H389 IonicContact OD1-NE2 3.85Å; D320-H389 PolarHBondContact OD1-NE2 3.37Å; D320-H393 IonicContact OD1-CD2 2.86Å; D320-H393 PolarHBondContact OD1-CD2 2.76Å; D320-H393 IonicContact OD1-CE1 3.65Å; D320-H393 IonicContact OD1-NE2 3.8Å; D320-H393 PolarHBondContact OD1-NE2 3.35Å; D320-H529 IonicContact OD2-CD2 2.73Å; D320-H529 PolarHBondContact OD2-CD2 3.5Å; D320-L530 WeakPolarHBondContact O-CB 3.27Å
321	I	98.2	Very high	95.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	125.5	169.3	-57.2	-65.6	0	0	0	109	I318 D319 V323 M330 L356 G357 S359 L377 W386 L530	I318-I321 HydrophobicContact CB-CD1 4.41Å; I318-I321 HydrophobicContact CG2-CD1 3.76Å; D319-I321 VanDerWaalsContact C-N 3.31Å; D319-I321 PolarHBondContact O-N 2.83Å; I321-V323 VanDerWaalsContact C-N 3.33Å; I321-V323 PolarHBondContact O-N 2.85Å; I321-M330 HydrophobicContact CD1-CE 4.08Å; I321-L356 HydrophobicContact CD1-CB 4.45Å; I321-L356 HydrophobicContact CD1-CD2 4.25Å; I321-L356 HydrophobicContact CD1-CG 3.97Å; I321-L356 HydrophobicContact CG1-CB 3.92Å; I321-L356 HydrophobicContact CG1-CD2 4.46Å; I321-L356 HydrophobicContact CG1-CG 4.01Å; I321-G357 VanDerWaalsContact CB-O 3.32Å; I321-G357 WeakPolarHBondContact CB-O 3.4Å; I321-G357 WeakPolarHBondContact CG1-O 3.33Å; I321-G357 PolarHBondContact N-O 3.07Å; I321-S359 PolarHBondContact O-N 2.87Å; I321-S359 VanDerWaalsContact O-N 3.11Å; I321-L377 HydrophobicContact CD1-CD2 4.35Å; I321-L377 HydrophobicContact CG2-CD2 3.65Å; I321-W386 HydrophobicContact CG2-CZ3 4.14Å; I321-L530 HydrophobicContact CD1-CB 4.2Å; I321-L530 HydrophobicContact CD1-CD1 4.08Å
322	F	97.4	Very high	95.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	-8.6	-169.2	-45.6	-51.7	0	0	0	117.6	D320 R329 F362 F363 D374 L377 L378 F415	D320-F322 PolarHBondContact O-N 3.27Å; F322-R329 VanDerWaalsContact O-CZ 3.25Å; F322-R329 PolarHBondContact O-NH1 3.33Å; F322-R329 PolarHBondContact O-NH2 3.28Å; F322-F362 HydrophobicContact CB-CB 4.31Å; F322-F362 CarbonylContact O-C 3.6Å; F322-F362 WeakPolarHBondContact O-CB 3.42Å; F322-F363 AromaticContact CD1-CD2 3.88Å; F322-F363 HydrophobicContact CD1-CD2 3.88Å; F322-F363 HydrophobicContact CD2-CD2 4.47Å; F322-F363 AromaticContact CE1-CD2 3.68Å; F322-F363 HydrophobicContact CE1-CD2 3.68Å; F322-F363 HydrophobicContact CE1-CE2 4.11Å; F322-F363 HydrophobicContact CE2-CD2 4.29Å; F322-F363 HydrophobicContact CG-CB 4.42Å; F322-F363 HydrophobicContact CG-CD2 4.28Å; F322-F363 AromaticContact CZ-CD2 3.9Å; F322-F363 HydrophobicContact CZ-CD2 3.9Å; F322-F363 HydrophobicContact CZ-CE2 4.32Å; F322-D374 HydrophobicContact CD1-CB 4.06Å; F322-D374 VanDerWaalsContact CD1-CG 3.46Å; F322-D374 WeakPolarHBondContact CD1-OD1 3.45Å; F322-D374 HydrophobicContact CE1-CB 3.8Å; F322-L377 HydrophobicContact CE1-CD2 4.4Å; F322-L378 HydrophobicContact CE2-CD2 4.48Å; F322-L378 HydrophobicContact CZ-CD1 4.48Å; F322-L378 HydrophobicContact CZ-CD2 3.88Å; F322-L378 HydrophobicContact CZ-CG 4.07Å; F322-F415 HydrophobicContact CD2-CE1 4.36Å; F322-F415 HydrophobicContact CD2-CZ 4.37Å; F322-F415 AromaticContact CE2-CE1 3.86Å; F322-F415 HydrophobicContact CE2-CE1 3.86Å; F322-F415 AromaticContact CE2-CZ 3.97Å; F322-F415 HydrophobicContact CE2-CZ 3.97Å
323	V	94.9	Very high	95.9	Very high	29 Å²	29	32.5 Å²	32.5	18%	0.176	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-26.9	-172.5	-177.5	0	0	0	0	113.4	D320 I321 F362 H393	D320-V323 HydrophobicContact CB-CB 3.96Å; D320-V323 HydrophobicContact CB-CG2 4.27Å; D320-V323 PolarHBondContact O-N 3.03Å; I321-V323 VanDerWaalsContact C-N 3.33Å; I321-V323 PolarHBondContact O-N 2.85Å; V323-F362 HydrophobicContact CB-CD2 4.38Å; V323-F362 HydrophobicContact CG1-CD2 4.41Å; V323-F362 HydrophobicContact CG1-CE2 4.34Å; V323-F362 HydrophobicContact CG2-CD2 3.88Å; V323-F362 HydrophobicContact CG2-CE2 4.23Å; V323-H393 HydrophobicContact CG1-CB 4.21Å; V323-H393 HydrophobicContact CG2-CB 4.09Å
324	G	86.2	Confident	95.8	Very high	14 Å²	14	32 Å²	32	14%	0.144	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-51	144.8	-171.4	0	0	0	0	0	114.3	R329	G324-R329 WeakPolarHBondContact O-CG 3.32Å; G324-R329 PolarHBondContact O-NH1 3.45Å
325	K	89.8	Confident	95.9	Very high	167 Å²	167	31.8 Å²	31.8	73%	0.726	17%	0.169	S	C	*	.	P	Polyproline II helix	trans	-70.2	155.9	174.7	-64.1	-177.9	-179	179.6	0	110.4	G327 T328	K325-G327 PolarHBondContact O-N 2.85Å; K325-T328 PolarHBondContact N-OG1 3Å; K325-T328 PolarHBondContact O-N 3.41Å; K325-T328 PolarHBondContact O-OG1 3.25Å
326	E	91.6	Very high	95.9	Very high	140 Å²	140	36.3 Å²	36.3	65%	0.654	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.9	133.4	171.7	-163.8	-172.8	143.2	0	0	111.6	T328 T367	E326-T328 VanDerWaalsContact C-N 3.31Å; E326-T367 HydrophobicContact CG-CG2 3.48Å; E326-T367 VanDerWaalsContact CG-CG2 3.48Å; E326-T367 WeakPolarHBondContact OE1-CG2 3.11Å
327	G	90.7	Very high	95.9	Very high	43 Å²	43	36.9 Å²	36.9	44%	0.443	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	-8.3	-176.9	0	0	0	0	0	114.8	K325 E370 N535	K325-G327 PolarHBondContact O-N 2.85Å; G327-E370 WeakPolarHBondContact CA-OE1 3.23Å; G327-E370 PolarHBondContact N-OE1 2.96Å; G327-N535 PolarHBondContact O-ND2 3.4Å
328	T	91.5	Very high	95.9	Very high	35 Å²	35	36.9 Å²	36.9	22%	0.215	19%	0.193	C	C	.	.	S	Bend	trans	-113.6	-1.3	178.8	69.1	0	0	0	0	113.3	K325 E326 E370 I493 S531	K325-T328 PolarHBondContact N-OG1 3Å; K325-T328 PolarHBondContact O-N 3.41Å; K325-T328 PolarHBondContact O-OG1 3.25Å; E326-T328 VanDerWaalsContact C-N 3.31Å; T328-E370 PolarHBondContact N-OE1 3.2Å; T328-I493 HydrophobicContact CG2-CD1 4Å; T328-S531 WeakPolarHBondContact O-CA 3.47Å
329	R	94.8	Very high	95.9	Very high	1 Å²	1	39 Å²	39	0%	0.004	20%	0.202	C	C	.	.	S	Bend	trans	-87.6	162.5	-175.2	-47.4	169.9	70.8	94.9	-8.8	111.2	F322 G324 F362 T365 E370 D374 L530	F322-R329 VanDerWaalsContact O-CZ 3.25Å; F322-R329 PolarHBondContact O-NH1 3.33Å; F322-R329 PolarHBondContact O-NH2 3.28Å; G324-R329 WeakPolarHBondContact O-CG 3.32Å; G324-R329 PolarHBondContact O-NH1 3.45Å; R329-F362 PolarHBondContact NH2-O 3.22Å; R329-T365 PolarHBondContact NH1-OG1 3.1Å; R329-E370 HydrophobicContact CB-CB 3.93Å; R329-E370 HydrophobicContact CB-CG 3.8Å; R329-E370 WeakPolarHBondContact CB-OE1 3.38Å; R329-E370 HydrophobicContact CG-CG 4.49Å; R329-E370 PolarHBondContact N-OE1 3.18Å; R329-E370 VanDerWaalsContact N-OE1 3.07Å; R329-D374 IonicContact CZ-OD2 2.82Å; R329-D374 IonicContact NE-OD2 2.81Å; R329-D374 IonicContact NH2-OD1 3.14Å; R329-D374 IonicContact NH2-OD2 2.77Å; R329-D374 PolarHBondContact NH2-OD2 3.39Å; R329-L530 HydrophobicContact CB-CD2 4.22Å; R329-L530 HydrophobicContact CG-CD2 4.47Å
330	M	97.2	Very high	95.9	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.224	C	C	.	.			trans	-73.4	134.4	175.5	-69.6	-174.3	-65.5	0	0	110.1	I321 D334 V335 L338 L377 L530	I321-M330 HydrophobicContact CD1-CE 4.08Å; M330-D334 HydrophobicContact CB-CB 3.89Å; M330-D334 HydrophobicContact CG-CB 4.1Å; M330-V335 HydrophobicContact CB-CG2 4.03Å; M330-V335 HydrophobicContact CE-CG2 4.43Å; M330-V335 HydrophobicContact SD-CG2 4.45Å; M330-L338 HydrophobicContact SD-CD2 4.24Å; M330-L377 HydrophobicContact CE-CD1 4.33Å; M330-L377 HydrophobicContact CE-CD2 3.92Å; M330-L530 HydrophobicContact CE-CD1 4.06Å; M330-L530 HydrophobicContact CE-CG 4.22Å; M330-L530 HydrophobicContact CG-CG 4.45Å
331	K	98.1	Very high	96	Very high	65 Å²	65	42.5 Å²	42.5	28%	0.283	22%	0.222	S	C	.	.			trans	-93.4	175.9	168.3	-62.7	168.3	-172.5	168	0	110.4	E333 D334 V335 E370	K331-E333 VanDerWaalsContact C-N 3.25Å; K331-E333 VanDerWaalsContact CB-CD 3.4Å; K331-E333 HydrophobicContact CB-CG 4.32Å; K331-E333 WeakPolarHBondContact CB-OE1 3.4Å; K331-E333 WeakPolarHBondContact CB-OE2 3.31Å; K331-E333 WeakPolarHBondContact CD-OE1 3.28Å; K331-E333 PolarHBondContact O-N 3.41Å; K331-D334 PolarHBondContact N-OD2 3.29Å; K331-D334 WeakPolarHBondContact O-CB 3.35Å; K331-D334 PolarHBondContact O-N 3.48Å; K331-V335 PolarHBondContact O-N 2.82Å; K331-E370 HydrophobicContact CG-CG 4.32Å
332	V	98.4	Very high	96	Very high	44 Å²	44	42.5 Å²	42.5	27%	0.267	22%	0.222	S	C	.	.	H	α-helix	trans	-49.6	-45.4	176.9	168	0	0	0	0	112.3	D334 K336 A372 L376	V332-D334 VanDerWaalsContact C-N 3.3Å; V332-D334 PolarHBondContact O-N 3.16Å; V332-K336 HydrophobicContact CG1-CD 4.38Å; V332-K336 WeakPolarHBondContact O-CG 3.41Å; V332-K336 PolarHBondContact O-N 3.03Å; V332-K336 VanDerWaalsContact O-N 3.11Å; V332-A372 HydrophobicContact CG2-CB 3.88Å; V332-L376 HydrophobicContact CB-CD2 4.44Å; V332-L376 HydrophobicContact CG1-CD2 3.94Å
333	E	98.3	Very high	96	Very high	92 Å²	92	45.3 Å²	45.3	43%	0.43	24%	0.237	S	C	.	.	H	α-helix	trans	-65	-32.3	178.8	59.5	-86.7	-158.3	0	0	113.2	K331 A337 R537	K331-E333 VanDerWaalsContact C-N 3.25Å; K331-E333 VanDerWaalsContact CB-CD 3.4Å; K331-E333 HydrophobicContact CB-CG 4.32Å; K331-E333 WeakPolarHBondContact CB-OE1 3.4Å; K331-E333 WeakPolarHBondContact CB-OE2 3.31Å; K331-E333 WeakPolarHBondContact CD-OE1 3.28Å; K331-E333 PolarHBondContact O-N 3.41Å; E333-A337 WeakPolarHBondContact O-CB 3.21Å; E333-A337 PolarHBondContact O-N 3.49Å; E333-R537 VanDerWaalsContact CG-NH2 3.3Å; E333-R537 PolarHBondContact O-NH2 2.91Å
334	D	98.3	Very high	96.1	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-74.8	-42.4	180	-61	-33	0	0	0	110.7	M330 K331 V332 K336 A337 L338 Y533 R537	M330-D334 HydrophobicContact CB-CB 3.89Å; M330-D334 HydrophobicContact CG-CB 4.1Å; K331-D334 PolarHBondContact N-OD2 3.29Å; K331-D334 WeakPolarHBondContact O-CB 3.35Å; K331-D334 PolarHBondContact O-N 3.48Å; V332-D334 VanDerWaalsContact C-N 3.3Å; V332-D334 PolarHBondContact O-N 3.16Å; D334-K336 VanDerWaalsContact C-N 3.35Å; D334-K336 PolarHBondContact O-N 3.41Å; D334-A337 PolarHBondContact O-N 2.65Å; D334-L338 WeakPolarHBondContact O-CB 3.47Å; D334-L338 PolarHBondContact O-N 2.95Å; D334-Y533 WeakPolarHBondContact CB-O 2.93Å; D334-R537 IonicContact OD1-CZ 3.52Å; D334-R537 VanDerWaalsContact OD1-CZ 3.24Å; D334-R537 IonicContact OD1-NE 2.98Å; D334-R537 PolarHBondContact OD1-NE 3.4Å; D334-R537 IonicContact OD1-NH2 3.27Å; D334-R537 PolarHBondContact OD1-NH2 3.01Å
335	V	98.6	Very high	96.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64	-40.1	175.8	175.6	0	0	0	0	111.4	M330 K331 L338 F339 L376 L377 Y380	M330-V335 HydrophobicContact CB-CG2 4.03Å; M330-V335 HydrophobicContact CE-CG2 4.43Å; M330-V335 HydrophobicContact SD-CG2 4.45Å; K331-V335 PolarHBondContact O-N 2.82Å; V335-L338 WeakPolarHBondContact O-CB 3.46Å; V335-L338 PolarHBondContact O-N 3.1Å; V335-F339 PolarHBondContact O-N 3.27Å; V335-F339 VanDerWaalsContact O-N 3.08Å; V335-L376 HydrophobicContact CB-CD2 4.04Å; V335-L376 HydrophobicContact CB-CG 4.45Å; V335-L376 HydrophobicContact CG1-CB 4.37Å; V335-L376 HydrophobicContact CG1-CD2 3.96Å; V335-L376 HydrophobicContact CG1-CG 3.94Å; V335-L377 HydrophobicContact CG1-CB 4.22Å; V335-L377 HydrophobicContact CG1-CD1 3.87Å; V335-L377 HydrophobicContact CG2-CB 4.23Å; V335-L377 HydrophobicContact CG2-CD1 4.26Å; V335-Y380 HydrophobicContact CG1-CD2 3.99Å; V335-Y380 HydrophobicContact CG1-CE2 4.26Å
336	K	98.6	Very high	97.1	Very high	97 Å²	97	43.7 Å²	43.7	42%	0.422	22%	0.223	S	C	.	.	H	α-helix	trans	-61.3	-47.4	172.3	-72.2	175.8	-178.2	176	0	111.3	V332 D334 L338 F339 D340 L376	V332-K336 HydrophobicContact CG1-CD 4.38Å; V332-K336 WeakPolarHBondContact O-CG 3.41Å; V332-K336 PolarHBondContact O-N 3.03Å; V332-K336 VanDerWaalsContact O-N 3.11Å; D334-K336 VanDerWaalsContact C-N 3.35Å; D334-K336 PolarHBondContact O-N 3.41Å; K336-L338 VanDerWaalsContact C-N 3.29Å; K336-L338 PolarHBondContact O-N 3.14Å; K336-F339 PolarHBondContact O-N 3.48Å; K336-F339 VanDerWaalsContact O-N 3.17Å; K336-D340 WeakPolarHBondContact O-CB 3.47Å; K336-D340 VanDerWaalsContact O-CG 3.25Å; K336-D340 PolarHBondContact O-N 3.11Å; K336-L376 HydrophobicContact CG-CD2 3.89Å
337	A	98.6	Very high	97.3	Very high	13 Å²	13	41 Å²	41	11%	0.107	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-36.1	178.1	0	0	0	0	0	112.9	E333 D334 T341 R537 L540	E333-A337 WeakPolarHBondContact O-CB 3.21Å; E333-A337 PolarHBondContact O-N 3.49Å; D334-A337 PolarHBondContact O-N 2.65Å; A337-T341 VanDerWaalsContact O-CB 3.23Å; A337-T341 WeakPolarHBondContact O-CB 3.34Å; A337-T341 PolarHBondContact O-N 2.89Å; A337-T341 PolarHBondContact O-OG1 3.15Å; A337-R537 VanDerWaalsContact CB-NH1 3.31Å; A337-L540 HydrophobicContact CB-CD1 3.86Å
338	L	98.6	Very high	97.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.5	-48.2	173.7	176.2	65.7	0	0	0	111	I318 M330 D334 V335 K336 Q342 F354 L377 F384 Y533 L540	I318-L338 HydrophobicContact CD1-CD1 3.92Å; I318-L338 HydrophobicContact CD1-CD2 4.39Å; M330-L338 HydrophobicContact SD-CD2 4.24Å; D334-L338 WeakPolarHBondContact O-CB 3.47Å; D334-L338 PolarHBondContact O-N 2.95Å; V335-L338 WeakPolarHBondContact O-CB 3.46Å; V335-L338 PolarHBondContact O-N 3.1Å; K336-L338 VanDerWaalsContact C-N 3.29Å; K336-L338 PolarHBondContact O-N 3.14Å; L338-Q342 WeakPolarHBondContact O-CB 3.39Å; L338-Q342 PolarHBondContact O-N 3.33Å; L338-F354 HydrophobicContact CD1-CD1 4.48Å; L338-F354 HydrophobicContact CD1-CD2 3.51Å; L338-F354 HydrophobicContact CD1-CE2 3.56Å; L338-F354 HydrophobicContact CD1-CG 4Å; L338-F354 HydrophobicContact CD1-CZ 4.11Å; L338-F354 HydrophobicContact CG-CD2 4.33Å; L338-L377 HydrophobicContact CD2-CD1 4.36Å; L338-F384 HydrophobicContact CD2-CE1 4.1Å; L338-F384 HydrophobicContact CD2-CZ 3.91Å; L338-F384 HydrophobicContact CG-CE1 3.96Å; L338-F384 HydrophobicContact CG-CZ 3.92Å; L338-Y533 HydrophobicContact CD1-CD1 3.73Å; L338-Y533 HydrophobicContact CD1-CE1 3.97Å; L338-L540 HydrophobicContact CD1-CD2 3.82Å
339	F	98.5	Very high	97.9	Very high	43 Å²	43	41.3 Å²	41.3	19%	0.189	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-45.5	177.1	178.2	-105.9	0	0	0	112.5	V335 K336 Q342 N343 Y380 E383 F384	V335-F339 PolarHBondContact O-N 3.27Å; V335-F339 VanDerWaalsContact O-N 3.08Å; K336-F339 PolarHBondContact O-N 3.48Å; K336-F339 VanDerWaalsContact O-N 3.17Å; F339-Q342 WeakPolarHBondContact O-CB 3.42Å; F339-Q342 PolarHBondContact O-N 2.95Å; F339-N343 WeakPolarHBondContact CE1-ND2 3.49Å; F339-N343 VanDerWaalsContact CZ-ND2 3.27Å; F339-N343 WeakPolarHBondContact CZ-ND2 3.43Å; F339-N343 PolarHBondContact O-N 3.42Å; F339-N343 VanDerWaalsContact O-N 3.09Å; F339-N343 PolarHBondContact O-ND2 2.94Å; F339-Y380 HydrophobicContact CB-CD2 4.1Å; F339-Y380 HydrophobicContact CB-CE2 3.9Å; F339-Y380 HydrophobicContact CD1-CE2 4.41Å; F339-Y380 HydrophobicContact CD2-CD2 4.47Å; F339-Y380 HydrophobicContact CG-CD2 4.3Å; F339-Y380 HydrophobicContact CG-CE2 4.07Å; F339-E383 HydrophobicContact CD2-CB 3.96Å; F339-E383 HydrophobicContact CD2-CG 4.16Å; F339-E383 HydrophobicContact CE2-CB 3.76Å; F339-E383 HydrophobicContact CE2-CG 3.61Å; F339-E383 HydrophobicContact CZ-CG 4.44Å; F339-F384 HydrophobicContact CB-CZ 4.28Å
340	D	98.4	Very high	98	Very high	90 Å²	90	45 Å²	45	48%	0.481	24%	0.236	S	C	.	.	H	α-helix	trans	-64	-44.4	179.6	-67	-23.1	0	0	0	111.3	K336 Q342 N343 E344	K336-D340 WeakPolarHBondContact O-CB 3.47Å; K336-D340 VanDerWaalsContact O-CG 3.25Å; K336-D340 PolarHBondContact O-N 3.11Å; D340-Q342 VanDerWaalsContact C-N 3.33Å; D340-Q342 PolarHBondContact O-N 2.85Å; D340-N343 WeakPolarHBondContact O-CB 3.38Å; D340-N343 PolarHBondContact O-N 3.03Å; D340-N343 VanDerWaalsContact O-N 3.12Å; D340-E344 PolarHBondContact O-N 3.35Å
341	T	98.5	Very high	97.9	Very high	14 Å²	14	51 Å²	51	9%	0.086	27%	0.268	C	S	.	.	H	α-helix	trans	-64.9	-37.8	176.5	-56.1	0	0	0	0	111.4	A337 N343 E344 L345 L540	A337-T341 VanDerWaalsContact O-CB 3.23Å; A337-T341 WeakPolarHBondContact O-CB 3.34Å; A337-T341 PolarHBondContact O-N 2.89Å; A337-T341 PolarHBondContact O-OG1 3.15Å; T341-N343 VanDerWaalsContact C-N 3.27Å; T341-N343 PolarHBondContact O-N 3.41Å; T341-E344 PolarHBondContact O-N 3.34Å; T341-L345 HydrophobicContact CG2-CD1 4.15Å; T341-L345 HydrophobicContact CG2-CG 4.3Å; T341-L345 WeakPolarHBondContact O-CB 3.43Å; T341-L345 VanDerWaalsContact O-CG 3.29Å; T341-L345 WeakPolarHBondContact O-CG 3.38Å; T341-L345 PolarHBondContact O-N 3.05Å; T341-L540 HydrophobicContact CG2-CB 4.27Å; T341-L540 HydrophobicContact CG2-CD2 4.03Å
342	Q	98.4	Very high	98	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.9	-43.9	172.5	-179.6	174	-92	0	0	111	L338 F339 D340 L345 R346 F352 T353 F354 E383 F384	L338-Q342 WeakPolarHBondContact O-CB 3.39Å; L338-Q342 PolarHBondContact O-N 3.33Å; F339-Q342 WeakPolarHBondContact O-CB 3.42Å; F339-Q342 PolarHBondContact O-N 2.95Å; D340-Q342 VanDerWaalsContact C-N 3.33Å; D340-Q342 PolarHBondContact O-N 2.85Å; Q342-L345 PolarHBondContact O-N 3.13Å; Q342-R346 VanDerWaalsContact NE2-NH2 3.16Å; Q342-R346 WeakPolarHBondContact O-CG 3.48Å; Q342-R346 PolarHBondContact O-N 2.91Å; Q342-R346 VanDerWaalsContact O-N 3.08Å; Q342-F352 HydrophobicContact CG-CD1 4.08Å; Q342-F352 WeakPolarHBondContact CG-O 3.29Å; Q342-T353 VanDerWaalsContact OE1-CA 3.32Å; Q342-F354 HydrophobicContact CB-CD2 3.88Å; Q342-F354 HydrophobicContact CB-CE2 3.95Å; Q342-F354 HydrophobicContact CG-CD2 4.22Å; Q342-E383 PolarHBondContact NE2-O 3.45Å; Q342-F384 VanDerWaalsContact OE1-CD1 3.24Å
343	N	98.1	Very high	97.9	Very high	60 Å²	60	46.4 Å²	46.4	32%	0.321	25%	0.246	S	C	.	.	H	α-helix	trans	-67.7	-39.3	178	-69.1	-37.6	0	0	0	112.8	F339 D340 T341 R346	F339-N343 WeakPolarHBondContact CE1-ND2 3.49Å; F339-N343 VanDerWaalsContact CZ-ND2 3.27Å; F339-N343 WeakPolarHBondContact CZ-ND2 3.43Å; F339-N343 PolarHBondContact O-N 3.42Å; F339-N343 VanDerWaalsContact O-N 3.09Å; F339-N343 PolarHBondContact O-ND2 2.94Å; D340-N343 WeakPolarHBondContact O-CB 3.38Å; D340-N343 PolarHBondContact O-N 3.03Å; D340-N343 VanDerWaalsContact O-N 3.12Å; T341-N343 VanDerWaalsContact C-N 3.27Å; T341-N343 PolarHBondContact O-N 3.41Å; N343-R346 WeakPolarHBondContact O-CB 3.37Å; N343-R346 PolarHBondContact O-N 3.33Å; N343-R346 PolarHBondContact OD1-NH1 3.43Å
344	E	97.8	Very high	98	Very high	95 Å²	95	42 Å²	42	44%	0.444	23%	0.225	S	C	.	.	H	α-helix	trans	-60.2	-45.9	171.1	-73.6	-175	159.1	0	0	111.5	D340 T341 R346 A347 K544	D340-E344 PolarHBondContact O-N 3.35Å; T341-E344 PolarHBondContact O-N 3.34Å; E344-R346 PolarHBondContact O-N 3.26Å; E344-A347 VanDerWaalsContact O-CB 3.29Å; E344-A347 WeakPolarHBondContact O-CB 3.21Å; E344-A347 PolarHBondContact O-N 3.02Å; E344-A347 VanDerWaalsContact O-N 3.08Å; E344-K544 VanDerWaalsContact CD-NZ 3.3Å; E344-K544 IonicContact OE1-NZ 2.75Å; E344-K544 PolarHBondContact OE1-NZ 2.83Å; E344-K544 VanDerWaalsContact OE1-NZ 3.11Å; E344-K544 WeakPolarHBondContact OE2-CE 3.45Å; E344-K544 IonicContact OE2-NZ 3.88Å; E344-K544 PolarHBondContact OE2-NZ 2.87Å
345	L	98.1	Very high	98	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-63.2	-28.6	-179.9	-72.6	175	0	0	0	112.3	T341 Q342 A347 H348 I349 F352 F354 V547	T341-L345 HydrophobicContact CG2-CD1 4.15Å; T341-L345 HydrophobicContact CG2-CG 4.3Å; T341-L345 WeakPolarHBondContact O-CB 3.43Å; T341-L345 VanDerWaalsContact O-CG 3.29Å; T341-L345 WeakPolarHBondContact O-CG 3.38Å; T341-L345 PolarHBondContact O-N 3.05Å; Q342-L345 PolarHBondContact O-N 3.13Å; L345-A347 PolarHBondContact O-N 3.16Å; L345-H348 PolarHBondContact O-N 2.88Å; L345-I349 PolarHBondContact O-N 3.37Å; L345-F352 HydrophobicContact CB-CB 4.36Å; L345-F352 HydrophobicContact CB-CD1 3.65Å; L345-F352 HydrophobicContact CB-CE1 4.17Å; L345-F352 HydrophobicContact CB-CG 4.03Å; L345-F352 HydrophobicContact CD1-CD1 3.83Å; L345-F352 HydrophobicContact CD1-CE1 3.42Å; L345-F352 VanDerWaalsContact CD1-CE1 3.42Å; L345-F352 HydrophobicContact CD1-CZ 3.89Å; L345-F352 HydrophobicContact CG-CD1 4.41Å; L345-F352 HydrophobicContact CG-CE1 4.45Å; L345-F354 HydrophobicContact CD1-CE2 4.5Å; L345-F354 HydrophobicContact CD1-CZ 4.1Å; L345-V547 HydrophobicContact CD2-CB 4.07Å; L345-V547 HydrophobicContact CD2-CG1 4.28Å; L345-V547 HydrophobicContact CD2-CG2 3.95Å
346	R	97.8	Very high	98	Very high	75 Å²	75	41.9 Å²	41.9	28%	0.283	22%	0.224	S	C	.	.	H	α-helix	trans	-60.5	-23.6	174.8	-74.6	169.5	-179	171.9	-8.9	113.4	Q342 N343 E344 H348 I349 F352	Q342-R346 VanDerWaalsContact NE2-NH2 3.16Å; Q342-R346 WeakPolarHBondContact O-CG 3.48Å; Q342-R346 PolarHBondContact O-N 2.91Å; Q342-R346 VanDerWaalsContact O-N 3.08Å; N343-R346 WeakPolarHBondContact O-CB 3.37Å; N343-R346 PolarHBondContact O-N 3.33Å; N343-R346 PolarHBondContact OD1-NH1 3.43Å; E344-R346 PolarHBondContact O-N 3.26Å; R346-H348 VanDerWaalsContact C-N 3.27Å; R346-H348 PolarHBondContact O-N 3.18Å; R346-I349 WeakPolarHBondContact CA-O 3.43Å; R346-F352 HydrophobicContact CG-CB 4.04Å; R346-F352 WeakPolarHBondContact CG-O 3.42Å; R346-F352 PolarHBondContact NE-O 3.39Å
347	A	95.9	Very high	98	Very high	83 Å²	83	37.3 Å²	37.3	69%	0.686	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-27	174.6	0	0	0	0	0	112.9	E344 L345	E344-A347 VanDerWaalsContact O-CB 3.29Å; E344-A347 WeakPolarHBondContact O-CB 3.21Å; E344-A347 PolarHBondContact O-N 3.02Å; E344-A347 VanDerWaalsContact O-N 3.08Å; L345-A347 PolarHBondContact O-N 3.16Å
348	H	96.1	Very high	98	Very high	83 Å²	83	36.7 Å²	36.7	38%	0.384	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-25.1	-178.5	-61.6	-67.5	0	0	0	113.3	L345 R346 V547	L345-H348 PolarHBondContact O-N 2.88Å; R346-H348 VanDerWaalsContact C-N 3.27Å; R346-H348 PolarHBondContact O-N 3.18Å; H348-V547 HydrophobicContact CB-CG1 3.46Å; H348-V547 VanDerWaalsContact CB-CG1 3.46Å
349	I	98.1	Very high	98	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	20%	0.199	C	C	.	.	S	Bend	trans	-128.4	96.3	179.3	-50.2	-178.1	0	0	0	107.5	I314 L345 R346 N351 F352 V547 L558	I314-I349 HydrophobicContact CD1-CD1 4.38Å; L345-I349 PolarHBondContact O-N 3.37Å; R346-I349 WeakPolarHBondContact CA-O 3.43Å; I349-N351 PolarHBondContact O-N 3.46Å; I349-F352 HydrophobicContact CB-CB 3.97Å; I349-F352 HydrophobicContact CB-CD2 4.25Å; I349-F352 HydrophobicContact CB-CG 4.45Å; I349-F352 HydrophobicContact CD1-CD2 4Å; I349-F352 HydrophobicContact CD1-CE2 4.4Å; I349-F352 HydrophobicContact CG2-CB 4.11Å; I349-F352 HydrophobicContact CG2-CD2 4.02Å; I349-F352 VanDerWaalsContact O-CB 3.27Å; I349-F352 WeakPolarHBondContact O-CB 3.3Å; I349-F352 PolarHBondContact O-N 2.83Å; I349-V547 HydrophobicContact CD1-CG2 3.75Å; I349-V547 HydrophobicContact CG1-CG1 4.47Å; I349-V547 HydrophobicContact CG1-CG2 4.48Å; I349-L558 HydrophobicContact CD1-CB 4.22Å; I349-L558 HydrophobicContact CD1-CD1 4.14Å; I349-L558 HydrophobicContact CG1-CB 3.7Å; I349-L558 HydrophobicContact CG1-CD1 4.08Å
350	P	97.1	Very high	97.9	Very high	78 Å²	78	34.9 Å²	34.9	51%	0.506	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	133.2	-176.1	-27.9	35.4	0	0	0	112.4	F352	P350-F352 PolarHBondContact O-N 3.29Å
351	N	96.3	Very high	97.9	Very high	127 Å²	127	35.5 Å²	35.5	68%	0.679	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	20.2	-178.1	-52.7	-42.8	0	0	0	115.4	I349 T353 T560	I349-N351 PolarHBondContact O-N 3.46Å; N351-T353 PolarHBondContact O-N 2.88Å; N351-T353 PolarHBondContact O-OG1 2.91Å; N351-T560 VanDerWaalsContact C-CG2 3.49Å; N351-T560 VanDerWaalsContact O-CG2 3.23Å; N351-T560 WeakPolarHBondContact O-CG2 3.36Å
352	F	98.5	Very high	97.8	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	20%	0.198	C	C	.	.			trans	-48.5	128.4	175.8	-173.7	-97.8	0	0	0	111.8	V316 Q342 L345 R346 I349 P350 F354	V316-F352 HydrophobicContact CB-CZ 4.32Å; V316-F352 HydrophobicContact CG2-CE2 4.19Å; V316-F352 HydrophobicContact CG2-CZ 4.01Å; Q342-F352 HydrophobicContact CG-CD1 4.08Å; Q342-F352 WeakPolarHBondContact CG-O 3.29Å; L345-F352 HydrophobicContact CB-CB 4.36Å; L345-F352 HydrophobicContact CB-CD1 3.65Å; L345-F352 HydrophobicContact CB-CE1 4.17Å; L345-F352 HydrophobicContact CB-CG 4.03Å; L345-F352 HydrophobicContact CD1-CD1 3.83Å; L345-F352 HydrophobicContact CD1-CE1 3.42Å; L345-F352 VanDerWaalsContact CD1-CE1 3.42Å; L345-F352 HydrophobicContact CD1-CZ 3.89Å; L345-F352 HydrophobicContact CG-CD1 4.41Å; L345-F352 HydrophobicContact CG-CE1 4.45Å; R346-F352 HydrophobicContact CG-CB 4.04Å; R346-F352 WeakPolarHBondContact CG-O 3.42Å; R346-F352 PolarHBondContact NE-O 3.39Å; I349-F352 HydrophobicContact CB-CB 3.97Å; I349-F352 HydrophobicContact CB-CD2 4.25Å; I349-F352 HydrophobicContact CB-CG 4.45Å; I349-F352 HydrophobicContact CD1-CD2 4Å; I349-F352 HydrophobicContact CD1-CE2 4.4Å; I349-F352 HydrophobicContact CG2-CB 4.11Å; I349-F352 HydrophobicContact CG2-CD2 4.02Å; I349-F352 VanDerWaalsContact O-CB 3.27Å; I349-F352 WeakPolarHBondContact O-CB 3.3Å; I349-F352 PolarHBondContact O-N 2.83Å; P350-F352 PolarHBondContact O-N 3.29Å; F352-F354 HydrophobicContact CE1-CD1 4.06Å; F352-F354 AromaticContact CE1-CD2 3.86Å; F352-F354 HydrophobicContact CE1-CD2 3.86Å; F352-F354 AromaticContact CE1-CE1 3.88Å; F352-F354 HydrophobicContact CE1-CE1 3.88Å; F352-F354 AromaticContact CE1-CE2 3.67Å; F352-F354 HydrophobicContact CE1-CE2 3.67Å; F352-F354 HydrophobicContact CE1-CG 4.05Å; F352-F354 AromaticContact CE1-CZ 3.68Å; F352-F354 HydrophobicContact CE1-CZ 3.68Å; F352-F354 HydrophobicContact CZ-CD1 4.02Å; F352-F354 AromaticContact CZ-CE1 3.82Å; F352-F354 HydrophobicContact CZ-CE1 3.82Å; F352-F354 HydrophobicContact CZ-CE2 4.45Å; F352-F354 HydrophobicContact CZ-CG 4.41Å; F352-F354 HydrophobicContact CZ-CZ 4.05Å
353	T	98.4	Very high	97.8	Very high	11 Å²	11	39.2 Å²	39.2	7%	0.067	21%	0.206	C	C	.	.			trans	-144.2	122.8	-178	-55	0	0	0	0	108.3	Q342 N351 W385	Q342-T353 VanDerWaalsContact OE1-CA 3.32Å; N351-T353 PolarHBondContact O-N 2.88Å; N351-T353 PolarHBondContact O-OG1 2.91Å; T353-W385 HydrophobicContact CG2-CB 4.29Å; T353-W385 HydrophobicContact CG2-CD2 3.83Å; T353-W385 HydrophobicContact CG2-CE3 4.47Å; T353-W385 HydrophobicContact CG2-CG 3.73Å
354	F	98.7	Very high	97.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.			trans	-66.9	144.1	170.8	-72.3	-74.5	0	0	0	109.7	V316 I318 L338 Q342 L345 F352 L356 F384 W385 Y533 L540	V316-F354 HydrophobicContact CB-CD1 3.88Å; V316-F354 HydrophobicContact CB-CE1 4.04Å; V316-F354 HydrophobicContact CG1-CD1 3.87Å; V316-F354 HydrophobicContact CG1-CE1 3.85Å; I318-F354 HydrophobicContact CD1-CB 4.03Å; I318-F354 HydrophobicContact CD1-CD1 3.89Å; I318-F354 HydrophobicContact CD1-CG 4.07Å; I318-F354 HydrophobicContact CG1-CD1 4.31Å; L338-F354 HydrophobicContact CD1-CD1 4.48Å; L338-F354 HydrophobicContact CD1-CD2 3.51Å; L338-F354 HydrophobicContact CD1-CE2 3.56Å; L338-F354 HydrophobicContact CD1-CG 4Å; L338-F354 HydrophobicContact CD1-CZ 4.11Å; L338-F354 HydrophobicContact CG-CD2 4.33Å; Q342-F354 HydrophobicContact CB-CD2 3.88Å; Q342-F354 HydrophobicContact CB-CE2 3.95Å; Q342-F354 HydrophobicContact CG-CD2 4.22Å; L345-F354 HydrophobicContact CD1-CE2 4.5Å; L345-F354 HydrophobicContact CD1-CZ 4.1Å; F352-F354 HydrophobicContact CE1-CD1 4.06Å; F352-F354 AromaticContact CE1-CD2 3.86Å; F352-F354 HydrophobicContact CE1-CD2 3.86Å; F352-F354 AromaticContact CE1-CE1 3.88Å; F352-F354 HydrophobicContact CE1-CE1 3.88Å; F352-F354 AromaticContact CE1-CE2 3.67Å; F352-F354 HydrophobicContact CE1-CE2 3.67Å; F352-F354 HydrophobicContact CE1-CG 4.05Å; F352-F354 AromaticContact CE1-CZ 3.68Å; F352-F354 HydrophobicContact CE1-CZ 3.68Å; F352-F354 HydrophobicContact CZ-CD1 4.02Å; F352-F354 AromaticContact CZ-CE1 3.82Å; F352-F354 HydrophobicContact CZ-CE1 3.82Å; F352-F354 HydrophobicContact CZ-CE2 4.45Å; F352-F354 HydrophobicContact CZ-CG 4.41Å; F352-F354 HydrophobicContact CZ-CZ 4.05Å; F354-L356 HydrophobicContact CB-CD1 3.77Å; F354-F384 HydrophobicContact CB-CD1 4.05Å; F354-F384 HydrophobicContact CB-CE1 4.34Å; F354-F384 HydrophobicContact CD2-CE1 4.39Å; F354-W385 PolarHBondContact O-N 3.18Å; F354-Y533 HydrophobicContact CE1-CE1 4.06Å; F354-Y533 HydrophobicContact CZ-CE1 4.32Å; F354-L540 HydrophobicContact CE2-CD2 4.33Å; F354-L540 HydrophobicContact CZ-CD2 4.08Å
355	N	98.5	Very high	97.6	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	118.1	-177.3	-169.1	29.6	0	0	0	109.3	L315 V316 D317 I318 W385 W386 F387 Y427	L315-N355 HydrophobicContact CD1-CB 3.98Å; V316-N355 PolarHBondContact O-N 2.9Å; V316-N355 VanDerWaalsContact O-N 3.1Å; D317-N355 CarbonylContact C-O 3.55Å; D317-N355 WeakPolarHBondContact CA-O 3.4Å; D317-N355 WeakPolarHBondContact OD1-CB 3.48Å; D317-N355 PolarHBondContact OD1-ND2 2.76Å; I318-N355 PolarHBondContact N-O 3.49Å; N355-W385 CarbonylContact C-O 3.45Å; N355-W385 WeakPolarHBondContact CA-O 3.39Å; N355-W385 HydrophobicContact CB-CB 4.15Å; N355-W385 HydrophobicContact CB-CE3 4.5Å; N355-W385 WeakPolarHBondContact OD1-CB 2.98Å; N355-W386 PolarHBondContact OD1-N 3.11Å; N355-F387 HydrophobicContact CB-CD1 4.43Å; N355-F387 HydrophobicContact CB-CE1 4.3Å; N355-F387 VanDerWaalsContact CG-CD1 3.47Å; N355-F387 WeakPolarHBondContact ND2-CD1 3.24Å; N355-F387 WeakPolarHBondContact O-CE1 3.47Å; N355-F387 WeakPolarHBondContact OD1-CD1 3.4Å; N355-Y427 WeakPolarHBondContact ND2-CD1 3.28Å; N355-Y427 VanDerWaalsContact ND2-CE1 3.32Å; N355-Y427 WeakPolarHBondContact ND2-CE1 3.32Å
356	L	98.7	Very high	97.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117.4	-164.2	-86.4	61	0	0	0	111.1	I318 I321 F354 L377 F384 W385 W386 F387	I318-L356 HydrophobicContact CD1-CD1 4.03Å; I318-L356 HydrophobicContact CG1-CD1 4.46Å; I321-L356 HydrophobicContact CD1-CB 4.45Å; I321-L356 HydrophobicContact CD1-CD2 4.25Å; I321-L356 HydrophobicContact CD1-CG 3.97Å; I321-L356 HydrophobicContact CG1-CB 3.92Å; I321-L356 HydrophobicContact CG1-CD2 4.46Å; I321-L356 HydrophobicContact CG1-CG 4.01Å; F354-L356 HydrophobicContact CB-CD1 3.77Å; L356-L377 HydrophobicContact CD2-CD1 3.87Å; L356-L377 HydrophobicContact CD2-CD2 4.16Å; L356-L377 HydrophobicContact CD2-CG 4.24Å; L356-F384 HydrophobicContact CD1-CB 4.08Å; L356-F384 HydrophobicContact CD1-CD1 4Å; L356-F384 HydrophobicContact CD1-CG 4.11Å; L356-F384 HydrophobicContact CD2-CB 4.16Å; L356-F384 HydrophobicContact CD2-CD2 4.16Å; L356-F384 HydrophobicContact CD2-CG 4.04Å; L356-W385 PolarHBondContact N-O 3.34Å; L356-W386 HydrophobicContact CB-CD2 4.07Å; L356-W386 HydrophobicContact CB-CE3 3.78Å; L356-W386 HydrophobicContact CB-CH2 4.43Å; L356-W386 HydrophobicContact CB-CZ3 3.99Å; L356-W386 HydrophobicContact CD2-CH2 3.85Å; L356-W386 HydrophobicContact CD2-CZ2 3.96Å; L356-W386 HydrophobicContact CD2-CZ3 4.2Å; L356-W386 CarbonylContact O-C 3.56Å; L356-W386 WeakPolarHBondContact O-CA 3.44Å; L356-F387 PolarHBondContact O-N 3.12Å
357	G	98.4	Very high	97.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	110.1	-180	0	0	0	0	0	111.9	I318 D320 I321 F387	I318-G357 PolarHBondContact O-N 2.84Å; D320-G357 PolarHBondContact N-O 3.1Å; I321-G357 VanDerWaalsContact CB-O 3.32Å; I321-G357 WeakPolarHBondContact CB-O 3.4Å; I321-G357 WeakPolarHBondContact CG1-O 3.33Å; I321-G357 PolarHBondContact N-O 3.07Å; G357-F387 WeakPolarHBondContact CA-O 3.45Å; G357-F387 VanDerWaalsContact N-CE1 3.35Å
358	Y	98.6	Very high	97.5	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	146	-170.1	71.3	-80.8	0	0	0	114.5	W386 F387 H389 N412 F415 A416 I421 W451	Y358-W386 AromaticContact CD1-CE3 3.85Å; Y358-W386 HydrophobicContact CD1-CE3 3.85Å; Y358-W386 HydrophobicContact CG-CE3 4.34Å; Y358-F387 WeakPolarHBondContact CD1-O 3.47Å; Y358-F387 WeakPolarHBondContact CE1-O 3.32Å; Y358-F387 PolarHBondContact N-O 3.36Å; Y358-F387 VanDerWaalsContact N-O 3.12Å; Y358-H389 WeakPolarHBondContact O-CB 3.47Å; Y358-H389 PolarHBondContact O-N 2.93Å; Y358-N412 WeakPolarHBondContact CE2-ND2 3.4Å; Y358-N412 PolarHBondContact O-ND2 3.29Å; Y358-N412 VanDerWaalsContact O-ND2 3.09Å; Y358-F415 HydrophobicContact CD2-CD1 4.14Å; Y358-F415 HydrophobicContact CD2-CE1 4.31Å; Y358-F415 HydrophobicContact CE2-CD1 4.12Å; Y358-A416 HydrophobicContact CE2-CB 4.1Å; Y358-A416 WeakPolarHBondContact OH-CB 3.4Å; Y358-I421 HydrophobicContact CD1-CG2 4.4Å; Y358-I421 HydrophobicContact CD2-CD1 4.42Å; Y358-I421 HydrophobicContact CE1-CG2 3.85Å; Y358-I421 HydrophobicContact CE2-CD1 4.5Å; Y358-W451 WeakPolarHBondContact OH-CH2 3.44Å
359	S	98.4	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.			trans	-122.9	97.2	168.4	-64.8	0	0	0	0	110.1	I321 K361 F362 H389 M390	I321-S359 PolarHBondContact O-N 2.87Å; I321-S359 VanDerWaalsContact O-N 3.11Å; S359-K361 PolarHBondContact O-N 3.32Å; S359-F362 PolarHBondContact O-N 2.94Å; S359-H389 PolarHBondContact OG-O 3.49Å; S359-M390 VanDerWaalsContact CA-O 3.26Å; S359-M390 WeakPolarHBondContact CA-O 3.31Å; S359-M390 VanDerWaalsContact CB-O 3.27Å; S359-M390 WeakPolarHBondContact CB-O 3.27Å; S359-M390 PolarHBondContact OG-O 3.41Å
360	G	97.9	Very high	97.5	Very high	4 Å²	4	40 Å²	40	4%	0.041	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-63.9	-14.9	-169.1	0	0	0	0	0	115.8	F362 F363 N412	G360-F362 PolarHBondContact O-N 3.25Å; G360-F363 WeakPolarHBondContact O-CB 3.25Å; G360-F363 PolarHBondContact O-N 3.11Å; G360-N412 PolarHBondContact N-OD1 2.99Å
361	K	97.7	Very high	97.6	Very high	104 Å²	104	37.7 Å²	37.7	45%	0.452	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-59.8	-29.2	178.3	-178.4	177.1	179.6	-178.3	0	113.1	S359 W391 S392	S359-K361 PolarHBondContact O-N 3.32Å; K361-W391 HydrophobicContact CB-CD2 3.8Å; K361-W391 HydrophobicContact CB-CE3 4.23Å; K361-W391 HydrophobicContact CB-CG 4.24Å; K361-W391 HydrophobicContact CB-CH2 4.29Å; K361-W391 HydrophobicContact CB-CZ2 3.87Å; K361-W391 HydrophobicContact CB-CZ3 4.46Å; K361-W391 WeakPolarHBondContact CB-O 3.31Å; K361-W391 HydrophobicContact CG-CZ2 4.24Å; K361-W391 PolarHBondContact N-O 2.62Å; K361-S392 VanDerWaalsContact CD-OG 3.22Å; K361-S392 WeakPolarHBondContact CD-OG 3.36Å; K361-S392 PolarHBondContact NZ-OG 3.2Å
362	F	97.3	Very high	97.7	Very high	53 Å²	53	33.5 Å²	33.5	23%	0.232	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-104.1	14.2	-171.4	-54.5	-83.8	0	0	0	112.5	F322 V323 R329 S359 G360 H364 T365 H393	F322-F362 HydrophobicContact CB-CB 4.31Å; F322-F362 CarbonylContact O-C 3.6Å; F322-F362 WeakPolarHBondContact O-CB 3.42Å; V323-F362 HydrophobicContact CB-CD2 4.38Å; V323-F362 HydrophobicContact CG1-CD2 4.41Å; V323-F362 HydrophobicContact CG1-CE2 4.34Å; V323-F362 HydrophobicContact CG2-CD2 3.88Å; V323-F362 HydrophobicContact CG2-CE2 4.23Å; R329-F362 PolarHBondContact NH2-O 3.22Å; S359-F362 PolarHBondContact O-N 2.94Å; G360-F362 PolarHBondContact O-N 3.25Å; F362-H364 PolarHBondContact O-N 3.45Å; F362-T365 HydrophobicContact CB-CG2 4.48Å; F362-T365 PolarHBondContact O-OG1 3.42Å; F362-H393 HydrophobicContact CE2-CB 3.82Å; F362-H393 HydrophobicContact CZ-CB 4.44Å
363	F	97.6	Very high	97.7	Very high	39 Å²	39	33.4 Å²	33.4	17%	0.171	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	133.6	170.8	-178.1	-110.5	0	0	0	109.6	F322 G360 D374 L378 F415	F322-F363 AromaticContact CD1-CD2 3.88Å; F322-F363 HydrophobicContact CD1-CD2 3.88Å; F322-F363 HydrophobicContact CD2-CD2 4.47Å; F322-F363 AromaticContact CE1-CD2 3.68Å; F322-F363 HydrophobicContact CE1-CD2 3.68Å; F322-F363 HydrophobicContact CE1-CE2 4.11Å; F322-F363 HydrophobicContact CE2-CD2 4.29Å; F322-F363 HydrophobicContact CG-CB 4.42Å; F322-F363 HydrophobicContact CG-CD2 4.28Å; F322-F363 AromaticContact CZ-CD2 3.9Å; F322-F363 HydrophobicContact CZ-CD2 3.9Å; F322-F363 HydrophobicContact CZ-CE2 4.32Å; G360-F363 WeakPolarHBondContact O-CB 3.25Å; G360-F363 PolarHBondContact O-N 3.11Å; F363-D374 HydrophobicContact CD2-CB 4.08Å; F363-D374 HydrophobicContact CE2-CB 3.76Å; F363-L378 HydrophobicContact CD2-CD1 4.13Å; F363-L378 HydrophobicContact CE1-CD1 4.49Å; F363-L378 HydrophobicContact CE2-CD1 3.32Å; F363-L378 HydrophobicContact CE2-CG 4.15Å; F363-L378 HydrophobicContact CZ-CD1 3.54Å; F363-F415 HydrophobicContact CB-CE2 3.67Å; F363-F415 HydrophobicContact CB-CZ 3.77Å; F363-F415 AromaticContact CD1-CE2 4Å; F363-F415 HydrophobicContact CD1-CE2 4Å; F363-F415 HydrophobicContact CD1-CZ 4.33Å; F363-F415 HydrophobicContact CD2-CE2 4.49Å; F363-F415 HydrophobicContact CD2-CZ 4.03Å; F363-F415 AromaticContact CG-CE2 3.81Å; F363-F415 HydrophobicContact CG-CE2 3.81Å; F363-F415 AromaticContact CG-CZ 3.78Å; F363-F415 HydrophobicContact CG-CZ 3.78Å
364	H	96.9	Very high	97.7	Very high	78 Å²	78	32.9 Å²	32.9	36%	0.361	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	49.8	-176.5	-64.6	175.1	0	0	0	114.4	F362 D371 D375	F362-H364 PolarHBondContact O-N 3.45Å; H364-D371 VanDerWaalsContact CA-OD1 3.3Å; H364-D371 WeakPolarHBondContact CA-OD1 3.35Å; H364-D375 IonicContact CE1-OD1 3.24Å; H364-D375 PolarHBondContact CE1-OD1 3.47Å; H364-D375 IonicContact CE1-OD2 2.7Å; H364-D375 IonicContact NE2-OD1 3.82Å; H364-D375 PolarHBondContact NE2-OD1 3.06Å; H364-D375 IonicContact NE2-OD2 3.65Å
365	T	95.3	Very high	97.7	Very high	73 Å²	73	36.9 Å²	36.9	45%	0.448	21%	0.208	S	C	.	.			trans	-117.6	16.5	173.1	69.7	0	0	0	0	112.8	R329 F362 D371	R329-T365 PolarHBondContact NH1-OG1 3.1Å; F362-T365 HydrophobicContact CB-CG2 4.48Å; F362-T365 PolarHBondContact O-OG1 3.42Å; T365-D371 PolarHBondContact N-OD1 3.13Å
366	G	94.1	Very high	97.7	Very high	19 Å²	19	38.4 Å²	38.4	20%	0.196	22%	0.216	C	C	.	.	S	Bend	trans	-101	-159.7	177.4	0	0	0	0	0	112.8	E370 D371	G366-E370 WeakPolarHBondContact CA-OE2 3.47Å; G366-D371 WeakPolarHBondContact CA-OD1 3.3Å; G366-D371 PolarHBondContact N-OD1 3.28Å
367	T	96.9	Very high	97.6	Very high	46 Å²	46	38.5 Å²	38.5	28%	0.282	22%	0.216	S	C	.	.			trans	-76.6	163.2	164.1	62.9	0	0	0	0	111.4	E326 A369 E370 D371	E326-T367 HydrophobicContact CG-CG2 3.48Å; E326-T367 VanDerWaalsContact CG-CG2 3.48Å; E326-T367 WeakPolarHBondContact OE1-CG2 3.11Å; T367-A369 PolarHBondContact O-N 2.75Å; T367-E370 PolarHBondContact N-OE2 3.48Å; T367-E370 WeakPolarHBondContact O-CA 3.31Å; T367-E370 PolarHBondContact O-N 2.84Å; T367-E370 WeakPolarHBondContact OG1-CG 3.33Å; T367-E370 PolarHBondContact OG1-N 2.86Å; T367-E370 PolarHBondContact OG1-OE2 3.43Å; T367-D371 PolarHBondContact O-N 3.05Å
368	D	97.7	Very high	97.6	Very high	150 Å²	150	39.6 Å²	39.6	80%	0.802	22%	0.222	S	C	*	.	H	α-helix	trans	-49.2	-36.6	174.8	-63.5	-11.6	0	0	0	113.5	A372	D368-A372 WeakPolarHBondContact O-CB 3.35Å; D368-A372 PolarHBondContact O-N 2.93Å; D368-A372 VanDerWaalsContact O-N 3.07Å
369	A	97.9	Very high	97.6	Very high	52 Å²	52	43.3 Å²	43.3	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-73.8	-33.6	178.7	0	0	0	0	0	113.2	T367 G373	T367-A369 PolarHBondContact O-N 2.75Å; A369-G373 PolarHBondContact O-N 3.35Å
370	E	97.8	Very high	97.6	Very high	2 Å²	2	46 Å²	46	1%	0.009	26%	0.258	C	S	.	.	H	α-helix	trans	-76.7	-39.8	176	-68.7	173.2	136.9	0	0	111	G327 T328 R329 K331 G366 T367 A372 G373 D374	G327-E370 WeakPolarHBondContact CA-OE1 3.23Å; G327-E370 PolarHBondContact N-OE1 2.96Å; T328-E370 PolarHBondContact N-OE1 3.2Å; R329-E370 HydrophobicContact CB-CB 3.93Å; R329-E370 HydrophobicContact CB-CG 3.8Å; R329-E370 WeakPolarHBondContact CB-OE1 3.38Å; R329-E370 HydrophobicContact CG-CG 4.49Å; R329-E370 PolarHBondContact N-OE1 3.18Å; R329-E370 VanDerWaalsContact N-OE1 3.07Å; K331-E370 HydrophobicContact CG-CG 4.32Å; G366-E370 WeakPolarHBondContact CA-OE2 3.47Å; T367-E370 PolarHBondContact N-OE2 3.48Å; T367-E370 WeakPolarHBondContact O-CA 3.31Å; T367-E370 PolarHBondContact O-N 2.84Å; T367-E370 WeakPolarHBondContact OG1-CG 3.33Å; T367-E370 PolarHBondContact OG1-N 2.86Å; T367-E370 PolarHBondContact OG1-OE2 3.43Å; E370-A372 VanDerWaalsContact C-N 3.32Å; E370-A372 PolarHBondContact O-N 3.4Å; E370-G373 CarbonylContact O-C 3.52Å; E370-G373 VanDerWaalsContact O-CA 3.24Å; E370-G373 WeakPolarHBondContact O-CA 3.25Å; E370-G373 PolarHBondContact O-N 3.03Å; E370-D374 PolarHBondContact O-N 2.93Å
371	D	98.2	Very high	97.6	Very high	29 Å²	29	46.3 Å²	46.3	16%	0.155	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-37	176.4	-71.5	-2.2	0	0	0	111.2	H364 T365 G366 T367 G373 D374 D375	H364-D371 VanDerWaalsContact CA-OD1 3.3Å; H364-D371 WeakPolarHBondContact CA-OD1 3.35Å; T365-D371 PolarHBondContact N-OD1 3.13Å; G366-D371 WeakPolarHBondContact CA-OD1 3.3Å; G366-D371 PolarHBondContact N-OD1 3.28Å; T367-D371 PolarHBondContact O-N 3.05Å; D371-G373 PolarHBondContact O-N 3.37Å; D371-D374 WeakPolarHBondContact O-CB 3.18Å; D371-D374 PolarHBondContact O-N 3.2Å; D371-D375 PolarHBondContact O-N 3.32Å
372	A	98.6	Very high	97.5	Very high	39 Å²	39	50.9 Å²	50.9	32%	0.322	28%	0.28	S	S	.	.	H	α-helix	trans	-63	-29.7	168.3	0	0	0	0	0	112.8	V332 D368 E370 L376	V332-A372 HydrophobicContact CG2-CB 3.88Å; D368-A372 WeakPolarHBondContact O-CB 3.35Å; D368-A372 PolarHBondContact O-N 2.93Å; D368-A372 VanDerWaalsContact O-N 3.07Å; E370-A372 VanDerWaalsContact C-N 3.32Å; E370-A372 PolarHBondContact O-N 3.4Å; A372-L376 WeakPolarHBondContact O-CB 3.44Å; A372-L376 PolarHBondContact O-N 3.28Å; A372-L376 VanDerWaalsContact O-N 3.09Å
373	G	98.3	Very high	97.6	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-67.4	-46.4	170.5	0	0	0	0	0	111.9	A369 E370 D371 D375 L376 L377	A369-G373 PolarHBondContact O-N 3.35Å; E370-G373 CarbonylContact O-C 3.52Å; E370-G373 VanDerWaalsContact O-CA 3.24Å; E370-G373 WeakPolarHBondContact O-CA 3.25Å; E370-G373 PolarHBondContact O-N 3.03Å; D371-G373 PolarHBondContact O-N 3.37Å; G373-D375 VanDerWaalsContact C-N 3.32Å; G373-D375 PolarHBondContact O-N 3.44Å; G373-L376 PolarHBondContact O-N 3.02Å; G373-L377 WeakPolarHBondContact O-CB 3.49Å; G373-L377 PolarHBondContact O-N 3.05Å
374	D	98.1	Very high	97.6	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-57.4	-44.3	174.7	-73.4	-12.1	0	0	0	111.5	F322 R329 F363 E370 D371 L377 L378	F322-D374 HydrophobicContact CD1-CB 4.06Å; F322-D374 VanDerWaalsContact CD1-CG 3.46Å; F322-D374 WeakPolarHBondContact CD1-OD1 3.45Å; F322-D374 HydrophobicContact CE1-CB 3.8Å; R329-D374 IonicContact CZ-OD2 2.82Å; R329-D374 IonicContact NE-OD2 2.81Å; R329-D374 IonicContact NH2-OD1 3.14Å; R329-D374 IonicContact NH2-OD2 2.77Å; R329-D374 PolarHBondContact NH2-OD2 3.39Å; F363-D374 HydrophobicContact CD2-CB 4.08Å; F363-D374 HydrophobicContact CE2-CB 3.76Å; E370-D374 PolarHBondContact O-N 2.93Å; D371-D374 WeakPolarHBondContact O-CB 3.18Å; D371-D374 PolarHBondContact O-N 3.2Å; D374-L377 WeakPolarHBondContact O-CB 3.41Å; D374-L377 PolarHBondContact O-N 2.95Å; D374-L378 PolarHBondContact O-N 2.99Å
375	D	98.6	Very high	97.7	Very high	83 Å²	83	48.9 Å²	48.9	44%	0.444	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-45.8	175.9	-75.8	-23.7	0	0	0	112.2	H364 D371 G373 L377 L378 S379	H364-D375 IonicContact CE1-OD1 3.24Å; H364-D375 PolarHBondContact CE1-OD1 3.47Å; H364-D375 IonicContact CE1-OD2 2.7Å; H364-D375 IonicContact NE2-OD1 3.82Å; H364-D375 PolarHBondContact NE2-OD1 3.06Å; H364-D375 IonicContact NE2-OD2 3.65Å; D371-D375 PolarHBondContact O-N 3.32Å; G373-D375 VanDerWaalsContact C-N 3.32Å; G373-D375 PolarHBondContact O-N 3.44Å; D375-L377 VanDerWaalsContact C-N 3.3Å; D375-L377 PolarHBondContact O-N 3.06Å; D375-L378 PolarHBondContact O-N 2.98Å; D375-S379 PolarHBondContact O-N 3.45Å
376	L	98.5	Very high	97.8	Very high	34 Å²	34	45.4 Å²	45.4	18%	0.178	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-40.1	177.4	-176.6	67.7	0	0	0	110.9	V332 V335 K336 A372 G373 L378 S379 Y380	V332-L376 HydrophobicContact CB-CD2 4.44Å; V332-L376 HydrophobicContact CG1-CD2 3.94Å; V335-L376 HydrophobicContact CB-CD2 4.04Å; V335-L376 HydrophobicContact CB-CG 4.45Å; V335-L376 HydrophobicContact CG1-CB 4.37Å; V335-L376 HydrophobicContact CG1-CD2 3.96Å; V335-L376 HydrophobicContact CG1-CG 3.94Å; K336-L376 HydrophobicContact CG-CD2 3.89Å; A372-L376 WeakPolarHBondContact O-CB 3.44Å; A372-L376 PolarHBondContact O-N 3.28Å; A372-L376 VanDerWaalsContact O-N 3.09Å; G373-L376 PolarHBondContact O-N 3.02Å; L376-L378 VanDerWaalsContact C-N 3.29Å; L376-L378 PolarHBondContact O-N 2.86Å; L376-S379 WeakPolarHBondContact O-CB 3.46Å; L376-S379 PolarHBondContact O-N 2.89Å; L376-S379 VanDerWaalsContact O-N 3.09Å; L376-S379 PolarHBondContact O-OG 3.07Å; L376-Y380 HydrophobicContact CD1-CE1 4.24Å; L376-Y380 HydrophobicContact CG-CE2 4.44Å; L376-Y380 PolarHBondContact O-N 3.47Å
377	L	98	Very high	98	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-41.4	177.5	-168.3	68.4	0	0	0	111.2	I321 F322 M330 V335 L338 L356 G373 D374 D375 S379 Y380 F384 W386	I321-L377 HydrophobicContact CD1-CD2 4.35Å; I321-L377 HydrophobicContact CG2-CD2 3.65Å; F322-L377 HydrophobicContact CE1-CD2 4.4Å; M330-L377 HydrophobicContact CE-CD1 4.33Å; M330-L377 HydrophobicContact CE-CD2 3.92Å; V335-L377 HydrophobicContact CG1-CB 4.22Å; V335-L377 HydrophobicContact CG1-CD1 3.87Å; V335-L377 HydrophobicContact CG2-CB 4.23Å; V335-L377 HydrophobicContact CG2-CD1 4.26Å; L338-L377 HydrophobicContact CD2-CD1 4.36Å; L356-L377 HydrophobicContact CD2-CD1 3.87Å; L356-L377 HydrophobicContact CD2-CD2 4.16Å; L356-L377 HydrophobicContact CD2-CG 4.24Å; G373-L377 WeakPolarHBondContact O-CB 3.49Å; G373-L377 PolarHBondContact O-N 3.05Å; D374-L377 WeakPolarHBondContact O-CB 3.41Å; D374-L377 PolarHBondContact O-N 2.95Å; D375-L377 VanDerWaalsContact C-N 3.3Å; D375-L377 PolarHBondContact O-N 3.06Å; L377-S379 VanDerWaalsContact C-N 3.33Å; L377-Y380 CarbonylContact O-C 3.54Å; L377-Y380 PolarHBondContact O-N 3.29Å; L377-Y380 VanDerWaalsContact O-N 3.1Å; L377-F384 HydrophobicContact CD1-CD2 4.49Å; L377-F384 HydrophobicContact CD1-CE2 4.13Å; L377-W386 HydrophobicContact CD2-CH2 4.18Å; L377-W386 HydrophobicContact CG-CH2 4.1Å
378	L	98.1	Very high	98.1	Very high	24 Å²	24	42.9 Å²	42.9	13%	0.126	23%	0.229	C	C	.	.	H	α-helix	trans	-68.5	-30.2	174.9	-71	-175.7	0	0	0	113.2	F322 F363 D374 D375 L376 Y380 V381 W386 H419 I421	F322-L378 HydrophobicContact CE2-CD2 4.48Å; F322-L378 HydrophobicContact CZ-CD1 4.48Å; F322-L378 HydrophobicContact CZ-CD2 3.88Å; F322-L378 HydrophobicContact CZ-CG 4.07Å; F363-L378 HydrophobicContact CD2-CD1 4.13Å; F363-L378 HydrophobicContact CE1-CD1 4.49Å; F363-L378 HydrophobicContact CE2-CD1 3.32Å; F363-L378 HydrophobicContact CE2-CG 4.15Å; F363-L378 HydrophobicContact CZ-CD1 3.54Å; D374-L378 PolarHBondContact O-N 2.99Å; D375-L378 PolarHBondContact O-N 2.98Å; L376-L378 VanDerWaalsContact C-N 3.29Å; L376-L378 PolarHBondContact O-N 2.86Å; L378-Y380 PolarHBondContact O-N 3.41Å; L378-V381 HydrophobicContact CD2-CG2 4.05Å; L378-V381 WeakPolarHBondContact O-CG2 3.27Å; L378-V381 PolarHBondContact O-N 2.68Å; L378-W386 HydrophobicContact CD2-CH2 4.39Å; L378-H419 HydrophobicContact CD1-CB 4.06Å; L378-H419 VanDerWaalsContact CD1-CD2 3.46Å; L378-H419 WeakPolarHBondContact CD1-CD2 3.36Å; L378-H419 HydrophobicContact CD2-CB 4.22Å; L378-I421 HydrophobicContact CD2-CD1 3.83Å; L378-I421 HydrophobicContact CD2-CG1 4.2Å
379	S	98.1	Very high	98.1	Very high	78 Å²	78	35.9 Å²	35.9	55%	0.545	19%	0.192	S	C	.	.	H	α-helix	trans	-64.7	-22.8	171.1	86.2	0	0	0	0	112.8	D375 L376 L377	D375-S379 PolarHBondContact O-N 3.45Å; L376-S379 WeakPolarHBondContact O-CB 3.46Å; L376-S379 PolarHBondContact O-N 2.89Å; L376-S379 VanDerWaalsContact O-N 3.09Å; L376-S379 PolarHBondContact O-OG 3.07Å; L377-S379 VanDerWaalsContact C-N 3.33Å
380	Y	98.1	Very high	98	Very high	56 Å²	56	33.8 Å²	33.8	22%	0.22	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	16.8	178.7	-69.8	-5	0	0	0	113.8	V335 F339 L376 L377 L378 K382 E383 F384	V335-Y380 HydrophobicContact CG1-CD2 3.99Å; V335-Y380 HydrophobicContact CG1-CE2 4.26Å; F339-Y380 HydrophobicContact CB-CD2 4.1Å; F339-Y380 HydrophobicContact CB-CE2 3.9Å; F339-Y380 HydrophobicContact CD1-CE2 4.41Å; F339-Y380 HydrophobicContact CD2-CD2 4.47Å; F339-Y380 HydrophobicContact CG-CD2 4.3Å; F339-Y380 HydrophobicContact CG-CE2 4.07Å; L376-Y380 HydrophobicContact CD1-CE1 4.24Å; L376-Y380 HydrophobicContact CG-CE2 4.44Å; L376-Y380 PolarHBondContact O-N 3.47Å; L377-Y380 CarbonylContact O-C 3.54Å; L377-Y380 PolarHBondContact O-N 3.29Å; L377-Y380 VanDerWaalsContact O-N 3.1Å; L378-Y380 PolarHBondContact O-N 3.41Å; Y380-K382 PolarHBondContact O-N 3.15Å; Y380-E383 WeakPolarHBondContact O-CB 3.44Å; Y380-E383 PolarHBondContact O-N 2.81Å; Y380-F384 HydrophobicContact CD2-CE2 4.24Å
381	V	97.5	Very high	98	Very high	12 Å²	12	36.3 Å²	36.3	7%	0.073	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-49.8	-37.8	-176.6	158.9	0	0	0	0	114	L378 E383 W386 G420 I421	L378-V381 HydrophobicContact CD2-CG2 4.05Å; L378-V381 WeakPolarHBondContact O-CG2 3.27Å; L378-V381 PolarHBondContact O-N 2.68Å; V381-E383 VanDerWaalsContact C-N 3.28Å; V381-E383 PolarHBondContact O-N 3.49Å; V381-W386 HydrophobicContact CG2-CZ2 3.91Å; V381-W386 PolarHBondContact O-NE1 3.16Å; V381-G420 VanDerWaalsContact CG1-O 3.3Å; V381-G420 WeakPolarHBondContact CG1-O 3.38Å; V381-I421 HydrophobicContact CG1-CG1 4.47Å; V381-I421 HydrophobicContact CG2-CG1 3.87Å
382	K	96.8	Very high	97.9	Very high	200 Å²	200	35.7 Å²	35.7	87%	0.87	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-75.6	-14.9	-179.3	-65.2	-178.4	-178.5	175.2	0	114.3	Y380	Y380-K382 PolarHBondContact O-N 3.15Å
383	E	97.7	Very high	97.8	Very high	76 Å²	76	35.3 Å²	35.3	36%	0.355	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-88.4	-14	-176.7	-58	-56.2	147.4	0	0	112.9	F339 Q342 Y380 V381	F339-E383 HydrophobicContact CD2-CB 3.96Å; F339-E383 HydrophobicContact CD2-CG 4.16Å; F339-E383 HydrophobicContact CE2-CB 3.76Å; F339-E383 HydrophobicContact CE2-CG 3.61Å; F339-E383 HydrophobicContact CZ-CG 4.44Å; Q342-E383 PolarHBondContact NE2-O 3.45Å; Y380-E383 WeakPolarHBondContact O-CB 3.44Å; Y380-E383 PolarHBondContact O-N 2.81Å; V381-E383 VanDerWaalsContact C-N 3.28Å; V381-E383 PolarHBondContact O-N 3.49Å
384	F	98.3	Very high	97.6	Very high	6 Å²	6	39 Å²	39	3%	0.026	19%	0.19	C	C	.	.	S	Bend	trans	-122.4	159.6	-177.4	-61.8	-68.6	0	0	0	111.9	L338 F339 Q342 F354 L356 L377 Y380	L338-F384 HydrophobicContact CD2-CE1 4.1Å; L338-F384 HydrophobicContact CD2-CZ 3.91Å; L338-F384 HydrophobicContact CG-CE1 3.96Å; L338-F384 HydrophobicContact CG-CZ 3.92Å; F339-F384 HydrophobicContact CB-CZ 4.28Å; Q342-F384 VanDerWaalsContact OE1-CD1 3.24Å; F354-F384 HydrophobicContact CB-CD1 4.05Å; F354-F384 HydrophobicContact CB-CE1 4.34Å; F354-F384 HydrophobicContact CD2-CE1 4.39Å; L356-F384 HydrophobicContact CD1-CB 4.08Å; L356-F384 HydrophobicContact CD1-CD1 4Å; L356-F384 HydrophobicContact CD1-CG 4.11Å; L356-F384 HydrophobicContact CD2-CB 4.16Å; L356-F384 HydrophobicContact CD2-CD2 4.16Å; L356-F384 HydrophobicContact CD2-CG 4.04Å; L377-F384 HydrophobicContact CD1-CD2 4.49Å; L377-F384 HydrophobicContact CD1-CE2 4.13Å; Y380-F384 HydrophobicContact CD2-CE2 4.24Å
385	W	98.5	Very high	97.5	Very high	45 Å²	45	41 Å²	41	17%	0.17	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	155.3	163.1	-65.9	-19.6	0	0	0	109.8	L315 T353 F354 N355 L356 M425 T560 P562	L315-W385 HydrophobicContact CD1-CE3 4.01Å; L315-W385 HydrophobicContact CD1-CZ3 3.87Å; T353-W385 HydrophobicContact CG2-CB 4.29Å; T353-W385 HydrophobicContact CG2-CD2 3.83Å; T353-W385 HydrophobicContact CG2-CE3 4.47Å; T353-W385 HydrophobicContact CG2-CG 3.73Å; F354-W385 PolarHBondContact O-N 3.18Å; N355-W385 CarbonylContact C-O 3.45Å; N355-W385 WeakPolarHBondContact CA-O 3.39Å; N355-W385 HydrophobicContact CB-CB 4.15Å; N355-W385 HydrophobicContact CB-CE3 4.5Å; N355-W385 WeakPolarHBondContact OD1-CB 2.98Å; L356-W385 PolarHBondContact N-O 3.34Å; W385-M425 HydrophobicContact CB-CE 3.9Å; W385-M425 HydrophobicContact CD2-CE 4.27Å; W385-M425 HydrophobicContact CG-CE 3.67Å; W385-T560 HydrophobicContact CH2-CG2 4.12Å; W385-P562 HydrophobicContact CH2-CB 4.33Å; W385-P562 HydrophobicContact CH2-CG 3.99Å; W385-P562 HydrophobicContact CZ2-CB 4.3Å; W385-P562 HydrophobicContact CZ2-CG 3.77Å
386	W	98.5	Very high	97.4	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.4	-175.3	-64.7	84.4	0	0	0	111	I321 N355 L356 Y358 L377 L378 V381 I421	I321-W386 HydrophobicContact CG2-CZ3 4.14Å; N355-W386 PolarHBondContact OD1-N 3.11Å; L356-W386 HydrophobicContact CB-CD2 4.07Å; L356-W386 HydrophobicContact CB-CE3 3.78Å; L356-W386 HydrophobicContact CB-CH2 4.43Å; L356-W386 HydrophobicContact CB-CZ3 3.99Å; L356-W386 HydrophobicContact CD2-CH2 3.85Å; L356-W386 HydrophobicContact CD2-CZ2 3.96Å; L356-W386 HydrophobicContact CD2-CZ3 4.2Å; L356-W386 CarbonylContact O-C 3.56Å; L356-W386 WeakPolarHBondContact O-CA 3.44Å; Y358-W386 AromaticContact CD1-CE3 3.85Å; Y358-W386 HydrophobicContact CD1-CE3 3.85Å; Y358-W386 HydrophobicContact CG-CE3 4.34Å; L377-W386 HydrophobicContact CD2-CH2 4.18Å; L377-W386 HydrophobicContact CG-CH2 4.1Å; L378-W386 HydrophobicContact CD2-CH2 4.39Å; V381-W386 HydrophobicContact CG2-CZ2 3.91Å; V381-W386 PolarHBondContact O-NE1 3.16Å; W386-I421 HydrophobicContact CB-CG2 3.62Å; W386-I421 HydrophobicContact CD2-CG1 4.32Å; W386-I421 HydrophobicContact CD2-CG2 3.95Å; W386-I421 HydrophobicContact CE3-CD1 4.26Å; W386-I421 HydrophobicContact CE3-CG1 4.35Å; W386-I421 HydrophobicContact CE3-CG2 4.17Å; W386-I421 HydrophobicContact CG-CG2 3.71Å; W386-I421 HydrophobicContact CZ3-CD1 4.24Å
387	F	98.5	Very high	97.2	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	148	170	62.6	-89.1	0	0	0	111.8	D317 D319 N355 L356 G357 Y358 Y427 V429	D317-F387 HydrophobicContact CB-CE1 4.09Å; D317-F387 HydrophobicContact CB-CZ 4.11Å; D319-F387 VanDerWaalsContact OD1-CZ 3.23Å; D319-F387 WeakPolarHBondContact OD1-CZ 3.13Å; N355-F387 HydrophobicContact CB-CD1 4.43Å; N355-F387 HydrophobicContact CB-CE1 4.3Å; N355-F387 VanDerWaalsContact CG-CD1 3.47Å; N355-F387 WeakPolarHBondContact ND2-CD1 3.24Å; N355-F387 WeakPolarHBondContact O-CE1 3.47Å; N355-F387 WeakPolarHBondContact OD1-CD1 3.4Å; L356-F387 PolarHBondContact O-N 3.12Å; G357-F387 WeakPolarHBondContact CA-O 3.45Å; G357-F387 VanDerWaalsContact N-CE1 3.35Å; Y358-F387 WeakPolarHBondContact CD1-O 3.47Å; Y358-F387 WeakPolarHBondContact CE1-O 3.32Å; Y358-F387 PolarHBondContact N-O 3.36Å; Y358-F387 VanDerWaalsContact N-O 3.12Å; F387-Y427 HydrophobicContact CB-CD1 3.76Å; F387-Y427 HydrophobicContact CB-CE1 4.44Å; F387-Y427 WeakPolarHBondContact CB-O 3.45Å; F387-Y427 AromaticContact CD1-CD1 3.97Å; F387-Y427 HydrophobicContact CD1-CD1 3.97Å; F387-Y427 AromaticContact CD1-CE1 3.96Å; F387-Y427 HydrophobicContact CD1-CE1 3.96Å; F387-Y427 HydrophobicContact CD2-CE1 4.5Å; F387-Y427 HydrophobicContact CE1-CE1 4.26Å; F387-Y427 AromaticContact CG-CD1 3.88Å; F387-Y427 HydrophobicContact CG-CD1 3.88Å; F387-Y427 HydrophobicContact CG-CE1 4.06Å; F387-V429 HydrophobicContact CD2-CB 4.14Å; F387-V429 HydrophobicContact CD2-CG2 3.99Å; F387-V429 HydrophobicContact CE2-CB 3.75Å; F387-V429 HydrophobicContact CE2-CG2 3.66Å; F387-V429 HydrophobicContact CZ-CG2 4.2Å
388	P	98.2	Very high	97	Very high	11 Å²	11	39.7 Å²	39.7	7%	0.071	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	137.5	177.2	30.3	-34.6	0	0	0	110.9	Y427 A428 W451	P388-Y427 WeakPolarHBondContact CD-O 3.48Å; P388-A428 HydrophobicContact CG-CB 3.86Å; P388-W451 HydrophobicContact CB-CD2 4.19Å; P388-W451 HydrophobicContact CB-CE3 4.44Å; P388-W451 HydrophobicContact CB-CH2 3.81Å; P388-W451 HydrophobicContact CB-CZ2 3.54Å; P388-W451 HydrophobicContact CB-CZ3 4.25Å; P388-W451 HydrophobicContact CG-CD2 3.81Å; P388-W451 HydrophobicContact CG-CE3 4.05Å; P388-W451 HydrophobicContact CG-CG 4.26Å; P388-W451 HydrophobicContact CG-CH2 4.31Å; P388-W451 HydrophobicContact CG-CZ2 4.12Å; P388-W451 HydrophobicContact CG-CZ3 4.28Å
389	H	97.7	Very high	96.7	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.009	19%	0.19	C	C	.	.			trans	-121.8	37	176.8	-156	49.6	0	0	0	112.7	D319 D320 Y358 S359 H393 V429 P431	D319-H389 IonicContact OD2-CE1 2.94Å; D320-H389 IonicContact OD1-CD2 3.17Å; D320-H389 PolarHBondContact OD1-CD2 2.87Å; D320-H389 IonicContact OD1-NE2 3.85Å; D320-H389 PolarHBondContact OD1-NE2 3.37Å; Y358-H389 WeakPolarHBondContact O-CB 3.47Å; Y358-H389 PolarHBondContact O-N 2.93Å; S359-H389 PolarHBondContact OG-O 3.49Å; H389-H393 AromaticContact CD2-CD2 3.44Å; H389-H393 PolarHBondContact CD2-CD2 2.91Å; H389-H393 VanDerWaalsContact CD2-CD2 3.44Å; H389-H393 AromaticContact CD2-NE2 3.71Å; H389-H393 AromaticContact NE2-CD2 3.66Å; H389-H393 AromaticContact NE2-NE2 3.43Å; H389-H393 PolarHBondContact NE2-NE2 2.93Å; H389-V429 PolarHBondContact ND1-O 3.44Å; H389-P431 WeakPolarHBondContact O-CG 3.48Å
390	M	96.4	Very high	96	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.039	18%	0.184	C	C	.	.			trans	66.7	157.7	-171.4	-60.5	-67	-70	0	0	114.1	S359 L405 Q408 M409 N412 P431	S359-M390 VanDerWaalsContact CA-O 3.26Å; S359-M390 WeakPolarHBondContact CA-O 3.31Å; S359-M390 VanDerWaalsContact CB-O 3.27Å; S359-M390 WeakPolarHBondContact CB-O 3.27Å; S359-M390 PolarHBondContact OG-O 3.41Å; M390-L405 HydrophobicContact CE-CD1 3.42Å; M390-L405 VanDerWaalsContact CE-CD1 3.42Å; M390-L405 HydrophobicContact CE-CG 4.22Å; M390-Q408 HydrophobicContact CE-CB 4.14Å; M390-M409 HydrophobicContact CE-CE 4.42Å; M390-M409 HydrophobicContact CE-CG 4.32Å; M390-M409 HydrophobicContact SD-CE 3.68Å; M390-M409 HydrophobicContact SD-CG 3.81Å; M390-N412 PolarHBondContact O-ND2 3.18Å; M390-P431 HydrophobicContact CB-CG 3.92Å; M390-P431 VanDerWaalsContact CG-CD 3.43Å; M390-P431 HydrophobicContact CG-CG 3.83Å
391	W	97.4	Very high	95.5	Very high	56 Å²	56	41.6 Å²	41.6	21%	0.212	20%	0.195	C	C	.	.	S	Bend	trans	-68.1	-55.7	-179.6	171.8	-117.2	0	0	0	112.8	K361 Q408 L411 N412 F415	K361-W391 HydrophobicContact CB-CD2 3.8Å; K361-W391 HydrophobicContact CB-CE3 4.23Å; K361-W391 HydrophobicContact CB-CG 4.24Å; K361-W391 HydrophobicContact CB-CH2 4.29Å; K361-W391 HydrophobicContact CB-CZ2 3.87Å; K361-W391 HydrophobicContact CB-CZ3 4.46Å; K361-W391 WeakPolarHBondContact CB-O 3.31Å; K361-W391 HydrophobicContact CG-CZ2 4.24Å; K361-W391 PolarHBondContact N-O 2.62Å; W391-Q408 WeakPolarHBondContact CB-O 3.49Å; W391-L411 HydrophobicContact CB-CB 4.2Å; W391-L411 HydrophobicContact CD2-CB 3.76Å; W391-L411 HydrophobicContact CE3-CB 4.16Å; W391-L411 HydrophobicContact CG-CB 3.78Å; W391-L411 HydrophobicContact CG-CD1 4.22Å; W391-N412 HydrophobicContact CB-CB 4.03Å; W391-N412 HydrophobicContact CE3-CB 4.26Å; W391-F415 HydrophobicContact CZ3-CB 3.83Å; W391-F415 HydrophobicContact CZ3-CD2 4.3Å; W391-F415 HydrophobicContact CZ3-CG 4.21Å
392	S	95.6	Very high	95.2	Very high	15 Å²	15	43.9 Å²	43.9	11%	0.105	21%	0.205	C	C	.	.	S	Bend	trans	-97.2	16.1	-175.6	-57.9	0	0	0	0	113.8	K361 M394 Q408	K361-S392 VanDerWaalsContact CD-OG 3.22Å; K361-S392 WeakPolarHBondContact CD-OG 3.36Å; K361-S392 PolarHBondContact NZ-OG 3.2Å; S392-M394 PolarHBondContact O-N 3.1Å; S392-M394 VanDerWaalsContact O-N 3.07Å; S392-Q408 PolarHBondContact OG-OE1 2.85Å; S392-Q408 VanDerWaalsContact OG-OE1 3.14Å
393	H	96.3	Very high	95	Very high	32 Å²	32	37.7 Å²	37.7	15%	0.148	19%	0.188	C	C	.	.			trans	52.2	28.7	-172	-168.3	-107.2	0	0	0	113.5	D320 V323 F362 H389 H432	D320-H393 IonicContact OD1-CD2 2.86Å; D320-H393 PolarHBondContact OD1-CD2 2.76Å; D320-H393 IonicContact OD1-CE1 3.65Å; D320-H393 IonicContact OD1-NE2 3.8Å; D320-H393 PolarHBondContact OD1-NE2 3.35Å; V323-H393 HydrophobicContact CG1-CB 4.21Å; V323-H393 HydrophobicContact CG2-CB 4.09Å; F362-H393 HydrophobicContact CE2-CB 3.82Å; F362-H393 HydrophobicContact CZ-CB 4.44Å; H389-H393 AromaticContact CD2-CD2 3.44Å; H389-H393 PolarHBondContact CD2-CD2 2.91Å; H389-H393 VanDerWaalsContact CD2-CD2 3.44Å; H389-H393 AromaticContact CD2-NE2 3.71Å; H389-H393 AromaticContact NE2-CD2 3.66Å; H389-H393 AromaticContact NE2-NE2 3.43Å; H389-H393 PolarHBondContact NE2-NE2 2.93Å; H393-H432 AromaticContact CE1-NE2 3.8Å
394	M	95.3	Very high	94.9	Very high	77 Å²	77	36.8 Å²	36.8	38%	0.379	19%	0.187	S	C	.	.			trans	-85.9	140.6	-178.6	-73.9	-175.7	69.5	0	0	111.6	S392 F399	S392-M394 PolarHBondContact O-N 3.1Å; S392-M394 VanDerWaalsContact O-N 3.07Å; M394-F399 HydrophobicContact CB-CE2 3.7Å; M394-F399 HydrophobicContact CB-CZ 3.75Å; M394-F399 HydrophobicContact CE-CE1 4.45Å; M394-F399 HydrophobicContact CE-CE2 4.29Å; M394-F399 HydrophobicContact CE-CZ 3.81Å; M394-F399 HydrophobicContact CG-CZ 4.44Å; M394-F399 HydrophobicContact SD-CZ 3.88Å
395	Q	96.3	Very high	94.7	Very high	44 Å²	44	36.6 Å²	36.6	21%	0.206	19%	0.186	C	C	.	.			trans	-70	129.2	-179.7	-64.1	179.3	46.1	0	0	111.1	H397 L398 H432	Q395-H397 VanDerWaalsContact C-N 3.33Å; Q395-H397 WeakPolarHBondContact CB-ND1 3.1Å; Q395-H397 PolarHBondContact O-N 3.17Å; Q395-H397 PolarHBondContact OE1-CE1 2.98Å; Q395-L398 HydrophobicContact CB-CD1 4.2Å; Q395-L398 HydrophobicContact CB-CG 4.31Å; Q395-L398 WeakPolarHBondContact O-CB 3.25Å; Q395-L398 PolarHBondContact O-N 3.38Å; Q395-H432 HydrophobicContact CG-CB 4.13Å; Q395-H432 VanDerWaalsContact CG-CD2 3.47Å; Q395-H432 WeakPolarHBondContact CG-CD2 3.5Å; Q395-H432 PolarHBondContact NE2-CD2 3.1Å; Q395-H432 VanDerWaalsContact NE2-CD2 3.32Å
396	P	95.6	Very high	94.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-58.4	-35.3	-175.7	-31.7	38.6	0	0	0	115.6	L398 F399 L405 A430 S434 L443	P396-L398 PolarHBondContact O-N 3.03Å; P396-F399 PolarHBondContact O-N 2.87Å; P396-L405 HydrophobicContact CB-CD1 4.3Å; P396-A430 HydrophobicContact CG-CB 3.75Å; P396-S434 WeakPolarHBondContact CD-O 3.27Å; P396-S434 WeakPolarHBondContact CG-O 3.48Å; P396-L443 HydrophobicContact CB-CB 4.23Å; P396-L443 HydrophobicContact CB-CD1 3.89Å; P396-L443 HydrophobicContact CB-CD2 4.01Å; P396-L443 HydrophobicContact CB-CG 4.26Å; P396-L443 HydrophobicContact CG-CD1 3.68Å; P396-L443 HydrophobicContact CG-CD2 3.93Å; P396-L443 HydrophobicContact CG-CG 4.34Å
397	H	94.5	Very high	94.5	Very high	13 Å²	13	40.8 Å²	40.8	6%	0.06	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-63.2	-13.2	-179.3	77	-68.8	0	0	0	114.6	Q395 F399 S434 I594 W595	Q395-H397 VanDerWaalsContact C-N 3.33Å; Q395-H397 WeakPolarHBondContact CB-ND1 3.1Å; Q395-H397 PolarHBondContact O-N 3.17Å; Q395-H397 PolarHBondContact OE1-CE1 2.98Å; H397-F399 VanDerWaalsContact C-N 3.3Å; H397-S434 VanDerWaalsContact CB-OG 3.31Å; H397-S434 WeakPolarHBondContact CB-OG 3.39Å; H397-S434 PolarHBondContact N-OG 3.06Å; H397-S434 PolarHBondContact ND1-OG 3.49Å; H397-I594 VanDerWaalsContact CB-O 3.22Å; H397-I594 WeakPolarHBondContact CB-O 3.49Å; H397-I594 VanDerWaalsContact CG-O 3.29Å; H397-W595 PolarHBondContact CD2-O 2.84Å
398	L	93.9	Very high	94.3	Very high	77 Å²	77	42.5 Å²	42.5	40%	0.403	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-81.6	-9.6	175.5	-60.1	177.4	0	0	0	112.9	Q395 P396	Q395-L398 HydrophobicContact CB-CD1 4.2Å; Q395-L398 HydrophobicContact CB-CG 4.31Å; Q395-L398 WeakPolarHBondContact O-CB 3.25Å; Q395-L398 PolarHBondContact O-N 3.38Å; P396-L398 PolarHBondContact O-N 3.03Å
399	F	91.5	Very high	94.3	Very high	20 Å²	20	42 Å²	42	9%	0.088	22%	0.215	C	C	.	.			trans	-99.1	130.5	177.7	-61.1	-92.1	0	0	0	109.6	M394 P396 H397 V404 L405 Q408 H440	M394-F399 HydrophobicContact CB-CE2 3.7Å; M394-F399 HydrophobicContact CB-CZ 3.75Å; M394-F399 HydrophobicContact CE-CE1 4.45Å; M394-F399 HydrophobicContact CE-CE2 4.29Å; M394-F399 HydrophobicContact CE-CZ 3.81Å; M394-F399 HydrophobicContact CG-CZ 4.44Å; M394-F399 HydrophobicContact SD-CZ 3.88Å; P396-F399 PolarHBondContact O-N 2.87Å; H397-F399 VanDerWaalsContact C-N 3.3Å; F399-V404 HydrophobicContact CD1-CB 4.44Å; F399-V404 HydrophobicContact CD1-CG1 3.82Å; F399-V404 HydrophobicContact CE1-CG1 4.03Å; F399-L405 HydrophobicContact CB-CB 4.39Å; F399-L405 HydrophobicContact CB-CD1 4.07Å; F399-L405 HydrophobicContact CD1-CD1 4.45Å; F399-L405 HydrophobicContact CD2-CD1 3.49Å; F399-L405 VanDerWaalsContact CD2-CD1 3.49Å; F399-L405 HydrophobicContact CE2-CD1 3.97Å; F399-L405 HydrophobicContact CG-CD1 3.75Å; F399-Q408 HydrophobicContact CE1-CG 4.11Å; F399-Q408 HydrophobicContact CZ-CG 4.24Å; F399-H440 PolarHBondContact O-CE1 2.99Å; F399-H440 PolarHBondContact O-NE2 3.2Å
400	H	83.7	Confident	94.3	Very high	91 Å²	91	44.2 Å²	44.2	42%	0.421	23%	0.233	S	C	.	.			trans	-98.9	-17	179.1	-57.8	-67.5	0	0	0	112.3	E598	H400-E598 IonicContact CE1-OE1 3.46Å; H400-E598 IonicContact CE1-OE2 2.8Å; H400-E598 IonicContact CG-OE1 3.57Å; H400-E598 IonicContact CG-OE2 3.88Å; H400-E598 IonicContact ND1-OE1 3.9Å; H400-E598 PolarHBondContact ND1-OE1 3.03Å; H400-E598 VanDerWaalsContact ND1-OE1 3.17Å; H400-E598 IonicContact ND1-OE2 3.23Å; H400-E598 PolarHBondContact ND1-OE2 3.27Å
401	N	86.9	Confident	94.4	Very high	86 Å²	86	47.4 Å²	47.4	46%	0.46	25%	0.25	S	C	.	.			trans	-118.4	119.7	-175.4	-172.2	-27	0	0	0	110.2	S403 V404 L405	N401-S403 PolarHBondContact O-N 2.73Å; N401-S403 WeakPolarHBondContact OD1-CB 3.24Å; N401-S403 PolarHBondContact OD1-N 3.45Å; N401-S403 PolarHBondContact OD1-OG 2.71Å; N401-V404 HydrophobicContact CB-CG2 4.03Å; N401-V404 PolarHBondContact O-N 2.96Å; N401-L405 PolarHBondContact O-N 3.29Å
402	Q	91	Very high	94.4	Very high	60 Å²	60	44.7 Å²	44.7	28%	0.28	24%	0.24	S	C	.	.	H	α-helix	trans	-54.2	-38.1	177.1	-176.2	-166.1	-17.4	0	0	112.1	V404 L405 A406 Q442 E445 A446	Q402-V404 PolarHBondContact O-N 2.85Å; Q402-L405 WeakPolarHBondContact O-CB 3.42Å; Q402-L405 PolarHBondContact O-N 2.82Å; Q402-A406 WeakPolarHBondContact O-CB 3.26Å; Q402-A406 PolarHBondContact O-N 2.72Å; Q402-Q442 HydrophobicContact CB-CB 4.12Å; Q402-Q442 HydrophobicContact CB-CG 4.15Å; Q402-Q442 HydrophobicContact CG-CB 4.46Å; Q402-E445 HydrophobicContact CG-CB 4.41Å; Q402-E445 PolarHBondContact OE1-OE2 3.35Å; Q402-A446 HydrophobicContact CG-CB 4.39Å
403	S	94.2	Very high	94.6	Very high	71 Å²	71	47.1 Å²	47.1	50%	0.497	25%	0.248	S	C	.	.	H	α-helix	trans	-62.8	-42.1	-179.1	-57.8	0	0	0	0	112.2	N401 L405 A406 E407	N401-S403 PolarHBondContact O-N 2.73Å; N401-S403 WeakPolarHBondContact OD1-CB 3.24Å; N401-S403 PolarHBondContact OD1-N 3.45Å; N401-S403 PolarHBondContact OD1-OG 2.71Å; S403-L405 VanDerWaalsContact C-N 3.34Å; S403-L405 PolarHBondContact O-N 3.12Å; S403-A406 PolarHBondContact O-N 3.15Å; S403-E407 WeakPolarHBondContact O-CG 3.43Å; S403-E407 PolarHBondContact O-N 2.9Å
404	V	93.8	Very high	94.7	Very high	57 Å²	57	51.6 Å²	51.6	35%	0.345	27%	0.267	S	S	.	.	H	α-helix	trans	-66.2	-40.5	178	-180	0	0	0	0	110.7	F399 N401 Q402 A406 E407 Q408	F399-V404 HydrophobicContact CD1-CB 4.44Å; F399-V404 HydrophobicContact CD1-CG1 3.82Å; F399-V404 HydrophobicContact CE1-CG1 4.03Å; N401-V404 HydrophobicContact CB-CG2 4.03Å; N401-V404 PolarHBondContact O-N 2.96Å; Q402-V404 PolarHBondContact O-N 2.85Å; V404-A406 VanDerWaalsContact C-N 3.33Å; V404-E407 PolarHBondContact O-N 3.44Å; V404-Q408 WeakPolarHBondContact O-CG 3.45Å; V404-Q408 PolarHBondContact O-N 3.31Å; V404-Q408 VanDerWaalsContact O-N 3.07Å
405	L	94.3	Very high	94.8	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-42.7	175.4	-166.9	74	0	0	0	111	M390 P396 F399 N401 Q402 S403 Q408 M409 L443 A446	M390-L405 HydrophobicContact CE-CD1 3.42Å; M390-L405 VanDerWaalsContact CE-CD1 3.42Å; M390-L405 HydrophobicContact CE-CG 4.22Å; P396-L405 HydrophobicContact CB-CD1 4.3Å; F399-L405 HydrophobicContact CB-CB 4.39Å; F399-L405 HydrophobicContact CB-CD1 4.07Å; F399-L405 HydrophobicContact CD1-CD1 4.45Å; F399-L405 HydrophobicContact CD2-CD1 3.49Å; F399-L405 VanDerWaalsContact CD2-CD1 3.49Å; F399-L405 HydrophobicContact CE2-CD1 3.97Å; F399-L405 HydrophobicContact CG-CD1 3.75Å; N401-L405 PolarHBondContact O-N 3.29Å; Q402-L405 WeakPolarHBondContact O-CB 3.42Å; Q402-L405 PolarHBondContact O-N 2.82Å; S403-L405 VanDerWaalsContact C-N 3.34Å; S403-L405 PolarHBondContact O-N 3.12Å; L405-Q408 PolarHBondContact O-N 2.97Å; L405-M409 HydrophobicContact CD2-CE 4.05Å; L405-M409 HydrophobicContact CG-CE 3.98Å; L405-M409 WeakPolarHBondContact O-CG 3.39Å; L405-M409 PolarHBondContact O-N 3.02Å; L405-L443 HydrophobicContact CD2-CB 4.23Å; L405-L443 HydrophobicContact CD2-CD1 4.14Å; L405-A446 HydrophobicContact CD2-CB 3.97Å; L405-A446 HydrophobicContact CG-CB 4.31Å
406	A	96.7	Very high	94.9	Very high	12 Å²	12	46.4 Å²	46.4	10%	0.099	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-37.7	176.3	0	0	0	0	0	112.6	Q402 S403 V404 M409 A410 A446 V450	Q402-A406 WeakPolarHBondContact O-CB 3.26Å; Q402-A406 PolarHBondContact O-N 2.72Å; S403-A406 PolarHBondContact O-N 3.15Å; V404-A406 VanDerWaalsContact C-N 3.33Å; A406-M409 WeakPolarHBondContact O-CB 3.31Å; A406-M409 PolarHBondContact O-N 3.44Å; A406-A410 WeakPolarHBondContact O-CB 3.32Å; A406-A410 PolarHBondContact O-N 3.22Å; A406-A446 HydrophobicContact CB-CB 4.34Å; A406-V450 HydrophobicContact CB-CG2 3.83Å
407	E	96.1	Very high	95	Very high	122 Å²	122	51 Å²	51	57%	0.57	27%	0.27	S	S	*	.	H	α-helix	trans	-62.8	-45.5	173.8	-75.6	170.4	-167.9	0	0	111.9	S403 V404 M409 A410 L411	S403-E407 WeakPolarHBondContact O-CG 3.43Å; S403-E407 PolarHBondContact O-N 2.9Å; V404-E407 PolarHBondContact O-N 3.44Å; E407-M409 VanDerWaalsContact C-N 3.29Å; E407-M409 PolarHBondContact O-N 3.17Å; E407-A410 WeakPolarHBondContact O-CB 3.45Å; E407-A410 PolarHBondContact O-N 2.93Å; E407-A410 VanDerWaalsContact O-N 3.14Å; E407-L411 WeakPolarHBondContact O-CG 3.26Å; E407-L411 PolarHBondContact O-N 2.92Å
408	Q	95.8	Very high	95.2	Very high	38 Å²	38	56.2 Å²	56.2	18%	0.178	29%	0.294	C	S	.	.	H	α-helix	trans	-59.3	-42.5	174	-69	-62	-63.4	0	0	111.2	M390 W391 S392 F399 V404 L405 A410 L411 N412	M390-Q408 HydrophobicContact CE-CB 4.14Å; W391-Q408 WeakPolarHBondContact CB-O 3.49Å; S392-Q408 PolarHBondContact OG-OE1 2.85Å; S392-Q408 VanDerWaalsContact OG-OE1 3.14Å; F399-Q408 HydrophobicContact CE1-CG 4.11Å; F399-Q408 HydrophobicContact CZ-CG 4.24Å; V404-Q408 WeakPolarHBondContact O-CG 3.45Å; V404-Q408 PolarHBondContact O-N 3.31Å; V404-Q408 VanDerWaalsContact O-N 3.07Å; L405-Q408 PolarHBondContact O-N 2.97Å; Q408-A410 VanDerWaalsContact C-N 3.34Å; Q408-A410 PolarHBondContact O-N 3.04Å; Q408-L411 PolarHBondContact O-N 3.08Å; Q408-N412 PolarHBondContact O-N 2.48Å
409	M	97.1	Very high	95.4	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-38.8	175.4	-73.9	-177.2	-170.4	0	0	112.5	M390 L405 A406 E407 N412 K413 L443 A446 W447 V450 W451	M390-M409 HydrophobicContact CE-CE 4.42Å; M390-M409 HydrophobicContact CE-CG 4.32Å; M390-M409 HydrophobicContact SD-CE 3.68Å; M390-M409 HydrophobicContact SD-CG 3.81Å; L405-M409 HydrophobicContact CD2-CE 4.05Å; L405-M409 HydrophobicContact CG-CE 3.98Å; L405-M409 WeakPolarHBondContact O-CG 3.39Å; L405-M409 PolarHBondContact O-N 3.02Å; A406-M409 WeakPolarHBondContact O-CB 3.31Å; A406-M409 PolarHBondContact O-N 3.44Å; E407-M409 VanDerWaalsContact C-N 3.29Å; E407-M409 PolarHBondContact O-N 3.17Å; M409-N412 PolarHBondContact O-N 3.11Å; M409-K413 PolarHBondContact O-N 2.91Å; M409-L443 HydrophobicContact CE-CD1 3.62Å; M409-A446 HydrophobicContact CE-CB 3.91Å; M409-A446 HydrophobicContact SD-CB 3.78Å; M409-W447 HydrophobicContact CE-CG 4.09Å; M409-V450 HydrophobicContact CB-CB 4.08Å; M409-V450 HydrophobicContact CB-CG1 3.8Å; M409-V450 HydrophobicContact CB-CG2 4.12Å; M409-V450 HydrophobicContact SD-CB 4.49Å; M409-W451 WeakPolarHBondContact O-CZ2 3.28Å
410	A	97.9	Very high	95.7	Very high	48 Å²	48	57.2 Å²	57.2	40%	0.397	31%	0.312	S	S	.	.	H	α-helix	trans	-65.4	-37.1	179.1	0	0	0	0	0	112.3	A406 E407 Q408 K413 K414	A406-A410 WeakPolarHBondContact O-CB 3.32Å; A406-A410 PolarHBondContact O-N 3.22Å; E407-A410 WeakPolarHBondContact O-CB 3.45Å; E407-A410 PolarHBondContact O-N 2.93Å; E407-A410 VanDerWaalsContact O-N 3.14Å; Q408-A410 VanDerWaalsContact C-N 3.34Å; Q408-A410 PolarHBondContact O-N 3.04Å; A410-K413 PolarHBondContact O-N 2.89Å; A410-K414 WeakPolarHBondContact O-CB 3.41Å; A410-K414 PolarHBondContact O-N 3.05Å
411	L	98.3	Very high	96.4	Very high	74 Å²	74	53.1 Å²	53.1	39%	0.387	29%	0.293	S	S	.	.	H	α-helix	trans	-60.4	-46.7	172.4	-68.1	171.8	0	0	0	111.5	W391 E407 Q408 K413 K414 F415	W391-L411 HydrophobicContact CB-CB 4.2Å; W391-L411 HydrophobicContact CD2-CB 3.76Å; W391-L411 HydrophobicContact CE3-CB 4.16Å; W391-L411 HydrophobicContact CG-CB 3.78Å; W391-L411 HydrophobicContact CG-CD1 4.22Å; E407-L411 WeakPolarHBondContact O-CG 3.26Å; E407-L411 PolarHBondContact O-N 2.92Å; Q408-L411 PolarHBondContact O-N 3.08Å; L411-K413 VanDerWaalsContact C-N 3.27Å; L411-K413 PolarHBondContact O-N 2.79Å; L411-K414 WeakPolarHBondContact O-CB 3.36Å; L411-K414 PolarHBondContact O-N 2.77Å; L411-F415 PolarHBondContact O-N 3.15Å
412	N	98.3	Very high	96.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.4	-31.6	178	-151.2	44.4	0	0	0	112.4	Y358 G360 M390 W391 Q408 M409 A416 W451	Y358-N412 WeakPolarHBondContact CE2-ND2 3.4Å; Y358-N412 PolarHBondContact O-ND2 3.29Å; Y358-N412 VanDerWaalsContact O-ND2 3.09Å; G360-N412 PolarHBondContact N-OD1 2.99Å; M390-N412 PolarHBondContact O-ND2 3.18Å; W391-N412 HydrophobicContact CB-CB 4.03Å; W391-N412 HydrophobicContact CE3-CB 4.26Å; Q408-N412 PolarHBondContact O-N 2.48Å; M409-N412 PolarHBondContact O-N 3.11Å; N412-A416 PolarHBondContact O-N 3.48Å; N412-A416 VanDerWaalsContact O-N 3.15Å; N412-W451 HydrophobicContact CB-CZ2 4.18Å
413	K	98.4	Very high	97.1	Very high	66 Å²	66	50.4 Å²	50.4	29%	0.287	28%	0.284	S	S	.	.	H	α-helix	trans	-69.1	-41.5	173.3	-166.4	172.9	-174.5	-179.5	0	112.4	M409 A410 L411 A416 V417 T423 V450 W451	M409-K413 PolarHBondContact O-N 2.91Å; A410-K413 PolarHBondContact O-N 2.89Å; L411-K413 VanDerWaalsContact C-N 3.27Å; L411-K413 PolarHBondContact O-N 2.79Å; K413-A416 WeakPolarHBondContact O-CB 3.42Å; K413-A416 PolarHBondContact O-N 3.47Å; K413-V417 WeakPolarHBondContact O-CG2 3.4Å; K413-V417 PolarHBondContact O-N 2.88Å; K413-T423 HydrophobicContact CG-CG2 4.25Å; K413-V450 HydrophobicContact CD-CG1 4.15Å; K413-V450 WeakPolarHBondContact CD-O 3.37Å; K413-V450 PolarHBondContact NZ-O 2.94Å; K413-W451 HydrophobicContact CB-CH2 3.44Å; K413-W451 VanDerWaalsContact CB-CH2 3.44Å; K413-W451 HydrophobicContact CB-CZ2 3.54Å; K413-W451 HydrophobicContact CB-CZ3 3.98Å; K413-W451 HydrophobicContact CD-CD2 4.47Å; K413-W451 HydrophobicContact CD-CE3 4.23Å; K413-W451 HydrophobicContact CD-CZ3 4.28Å; K413-W451 HydrophobicContact CG-CE3 4.2Å; K413-W451 HydrophobicContact CG-CH2 3.76Å; K413-W451 HydrophobicContact CG-CZ2 4.23Å; K413-W451 HydrophobicContact CG-CZ3 3.75Å
414	K	98.4	Very high	97.1	Very high	126 Å²	126	53.1 Å²	53.1	55%	0.548	29%	0.293	S	S	.	.	H	α-helix	trans	-59.6	-48.9	175.1	-179.1	179.2	169	-177.9	0	110.8	A410 L411 A416 V417 E418	A410-K414 WeakPolarHBondContact O-CB 3.41Å; A410-K414 PolarHBondContact O-N 3.05Å; L411-K414 WeakPolarHBondContact O-CB 3.36Å; L411-K414 PolarHBondContact O-N 2.77Å; K414-A416 VanDerWaalsContact C-N 3.27Å; K414-A416 PolarHBondContact O-N 3.46Å; K414-V417 PolarHBondContact O-N 3.15Å; K414-E418 WeakPolarHBondContact CE-OE1 3.26Å; K414-E418 IonicContact NZ-OE1 2.89Å; K414-E418 WeakPolarHBondContact O-CG 3.42Å; K414-E418 PolarHBondContact O-N 3.18Å
415	F	98.6	Very high	97.1	Very high	12 Å²	12	52.6 Å²	52.6	5%	0.053	29%	0.287	C	S	.	.	H	α-helix	trans	-54.3	-44.8	175	175.9	-89.7	0	0	0	112.1	F322 Y358 F363 W391 L411 V417 E418 H419 I421	F322-F415 HydrophobicContact CD2-CE1 4.36Å; F322-F415 HydrophobicContact CD2-CZ 4.37Å; F322-F415 AromaticContact CE2-CE1 3.86Å; F322-F415 HydrophobicContact CE2-CE1 3.86Å; F322-F415 AromaticContact CE2-CZ 3.97Å; F322-F415 HydrophobicContact CE2-CZ 3.97Å; Y358-F415 HydrophobicContact CD2-CD1 4.14Å; Y358-F415 HydrophobicContact CD2-CE1 4.31Å; Y358-F415 HydrophobicContact CE2-CD1 4.12Å; F363-F415 HydrophobicContact CB-CE2 3.67Å; F363-F415 HydrophobicContact CB-CZ 3.77Å; F363-F415 AromaticContact CD1-CE2 4Å; F363-F415 HydrophobicContact CD1-CE2 4Å; F363-F415 HydrophobicContact CD1-CZ 4.33Å; F363-F415 HydrophobicContact CD2-CE2 4.49Å; F363-F415 HydrophobicContact CD2-CZ 4.03Å; F363-F415 AromaticContact CG-CE2 3.81Å; F363-F415 HydrophobicContact CG-CE2 3.81Å; F363-F415 AromaticContact CG-CZ 3.78Å; F363-F415 HydrophobicContact CG-CZ 3.78Å; W391-F415 HydrophobicContact CZ3-CB 3.83Å; W391-F415 HydrophobicContact CZ3-CD2 4.3Å; W391-F415 HydrophobicContact CZ3-CG 4.21Å; L411-F415 PolarHBondContact O-N 3.15Å; F415-V417 PolarHBondContact O-N 2.89Å; F415-E418 PolarHBondContact O-N 3.31Å; F415-H419 AromaticContact CD2-CE1 3.55Å; F415-H419 AromaticContact CD2-ND1 3.6Å; F415-H419 AromaticContact CE2-CE1 3.32Å; F415-H419 WeakPolarHBondContact CE2-CE1 3.28Å; F415-H419 AromaticContact CE2-ND1 3.51Å; F415-H419 AromaticContact CG-ND1 3.92Å; F415-H419 AromaticContact CZ-CE1 3.91Å; F415-H419 AromaticContact CZ-ND1 3.75Å; F415-H419 PolarHBondContact O-N 2.94Å; F415-H419 VanDerWaalsContact O-N 3.1Å; F415-H419 PolarHBondContact O-ND1 3.08Å; F415-I421 HydrophobicContact CD1-CD1 4.41Å; F415-I421 HydrophobicContact CE1-CD1 4.02Å
416	A	98.4	Very high	97.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-44	178.9	0	0	0	0	0	113.1	Y358 N412 K413 K414 H419 G420 I421 T423	Y358-A416 HydrophobicContact CE2-CB 4.1Å; Y358-A416 WeakPolarHBondContact OH-CB 3.4Å; N412-A416 PolarHBondContact O-N 3.48Å; N412-A416 VanDerWaalsContact O-N 3.15Å; K413-A416 WeakPolarHBondContact O-CB 3.42Å; K413-A416 PolarHBondContact O-N 3.47Å; K414-A416 VanDerWaalsContact C-N 3.27Å; K414-A416 PolarHBondContact O-N 3.46Å; A416-H419 CarbonylContact O-C 3.6Å; A416-H419 PolarHBondContact O-N 3.36Å; A416-G420 CarbonylContact O-C 3.56Å; A416-G420 PolarHBondContact O-N 3.17Å; A416-I421 HydrophobicContact CB-CB 3.89Å; A416-I421 HydrophobicContact CB-CG2 4.15Å; A416-I421 PolarHBondContact O-N 2.75Å; A416-T423 HydrophobicContact CB-CG2 3.78Å
417	V	98.3	Very high	97.4	Very high	97 Å²	97	52.3 Å²	52.3	59%	0.588	29%	0.285	S	S	*	.	H	α-helix	trans	-63	-42.9	176.9	172.5	0	0	0	0	111.2	K413 K414 F415 H419 G420 T423	K413-V417 WeakPolarHBondContact O-CG2 3.4Å; K413-V417 PolarHBondContact O-N 2.88Å; K414-V417 PolarHBondContact O-N 3.15Å; F415-V417 PolarHBondContact O-N 2.89Å; V417-H419 VanDerWaalsContact C-N 3.26Å; V417-H419 PolarHBondContact O-N 3.34Å; V417-G420 PolarHBondContact O-N 2.77Å; V417-T423 HydrophobicContact CG2-CG2 4.19Å
418	E	98.2	Very high	97.4	Very high	121 Å²	121	46.5 Å²	46.5	57%	0.565	26%	0.258	S	S	*	.	H	α-helix	trans	-62.8	-33.1	179.4	-73	172.3	168	0	0	112.5	K414 F415	K414-E418 WeakPolarHBondContact CE-OE1 3.26Å; K414-E418 IonicContact NZ-OE1 2.89Å; K414-E418 WeakPolarHBondContact O-CG 3.42Å; K414-E418 PolarHBondContact O-N 3.18Å; F415-E418 PolarHBondContact O-N 3.31Å
419	H	98.1	Very high	97.5	Very high	65 Å²	65	44.8 Å²	44.8	30%	0.301	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	10.8	-178.9	-60.1	85.9	0	0	0	113.6	L378 F415 A416 V417 I421	L378-H419 HydrophobicContact CD1-CB 4.06Å; L378-H419 VanDerWaalsContact CD1-CD2 3.46Å; L378-H419 WeakPolarHBondContact CD1-CD2 3.36Å; L378-H419 HydrophobicContact CD2-CB 4.22Å; F415-H419 AromaticContact CD2-CE1 3.55Å; F415-H419 AromaticContact CD2-ND1 3.6Å; F415-H419 AromaticContact CE2-CE1 3.32Å; F415-H419 WeakPolarHBondContact CE2-CE1 3.28Å; F415-H419 AromaticContact CE2-ND1 3.51Å; F415-H419 AromaticContact CG-ND1 3.92Å; F415-H419 AromaticContact CZ-CE1 3.91Å; F415-H419 AromaticContact CZ-ND1 3.75Å; F415-H419 PolarHBondContact O-N 2.94Å; F415-H419 VanDerWaalsContact O-N 3.1Å; F415-H419 PolarHBondContact O-ND1 3.08Å; A416-H419 CarbonylContact O-C 3.6Å; A416-H419 PolarHBondContact O-N 3.36Å; V417-H419 VanDerWaalsContact C-N 3.26Å; V417-H419 PolarHBondContact O-N 3.34Å; H419-I421 VanDerWaalsContact C-N 3.26Å; H419-I421 HydrophobicContact CB-CD1 4.46Å; H419-I421 PolarHBondContact O-N 3.1Å
420	G	97.8	Very high	97.5	Very high	54 Å²	54	44.7 Å²	44.7	56%	0.557	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.9	12.5	176.7	0	0	0	0	0	115.9	V381 A416 V417	V381-G420 VanDerWaalsContact CG1-O 3.3Å; V381-G420 WeakPolarHBondContact CG1-O 3.38Å; A416-G420 CarbonylContact O-C 3.56Å; A416-G420 PolarHBondContact O-N 3.17Å; V417-G420 PolarHBondContact O-N 2.77Å
421	I	98.4	Very high	97.5	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.026	23%	0.231	C	C	.	.			trans	-67.1	131	176.2	-67.2	162.1	0	0	0	109.6	Y358 L378 V381 W386 F415 A416 H419 T423	Y358-I421 HydrophobicContact CD1-CG2 4.4Å; Y358-I421 HydrophobicContact CD2-CD1 4.42Å; Y358-I421 HydrophobicContact CE1-CG2 3.85Å; Y358-I421 HydrophobicContact CE2-CD1 4.5Å; L378-I421 HydrophobicContact CD2-CD1 3.83Å; L378-I421 HydrophobicContact CD2-CG1 4.2Å; V381-I421 HydrophobicContact CG1-CG1 4.47Å; V381-I421 HydrophobicContact CG2-CG1 3.87Å; W386-I421 HydrophobicContact CB-CG2 3.62Å; W386-I421 HydrophobicContact CD2-CG1 4.32Å; W386-I421 HydrophobicContact CD2-CG2 3.95Å; W386-I421 HydrophobicContact CE3-CD1 4.26Å; W386-I421 HydrophobicContact CE3-CG1 4.35Å; W386-I421 HydrophobicContact CE3-CG2 4.17Å; W386-I421 HydrophobicContact CG-CG2 3.71Å; W386-I421 HydrophobicContact CZ3-CD1 4.24Å; F415-I421 HydrophobicContact CD1-CD1 4.41Å; F415-I421 HydrophobicContact CE1-CD1 4.02Å; A416-I421 HydrophobicContact CB-CB 3.89Å; A416-I421 HydrophobicContact CB-CG2 4.15Å; A416-I421 PolarHBondContact O-N 2.75Å; H419-I421 VanDerWaalsContact C-N 3.26Å; H419-I421 HydrophobicContact CB-CD1 4.46Å; H419-I421 PolarHBondContact O-N 3.1Å; I421-T423 PolarHBondContact O-N 2.88Å
422	P	96.3	Very high	97.3	Very high	46 Å²	46	43 Å²	43	30%	0.299	23%	0.231	S	C	.	.			trans	-56.9	135.1	177.2	-25.6	34.1	0	0	0	112.8	M425	P422-M425 HydrophobicContact CB-CG 4.16Å
423	T	95.8	Very high	97.1	Very high	42 Å²	42	43.1 Å²	43.1	26%	0.258	23%	0.232	S	C	.	.	S	Bend	trans	-114.4	4	-177.1	61.6	0	0	0	0	114	K413 A416 V417 I421 W451	K413-T423 HydrophobicContact CG-CG2 4.25Å; A416-T423 HydrophobicContact CB-CG2 3.78Å; V417-T423 HydrophobicContact CG2-CG2 4.19Å; I421-T423 PolarHBondContact O-N 2.88Å; T423-W451 HydrophobicContact CG2-CZ3 3.98Å
424	D	94.5	Very high	97	Very high	128 Å²	128	40 Å²	40	68%	0.684	22%	0.218	S	C	*	.			trans	-117.2	9.8	-171.4	63.9	-26.4	0	0	0	113.7	G426	D424-G426 PolarHBondContact O-N 3.32Å; D424-G426 VanDerWaalsContact O-N 3.11Å
425	M	94.8	Very high	96.8	Very high	46 Å²	46	34 Å²	34	23%	0.227	19%	0.192	C	C	.	.	S	Bend	trans	-61	-22	178.1	-67.5	-62.3	-73	0	0	113.3	W385 P422 Y427 V564	W385-M425 HydrophobicContact CB-CE 3.9Å; W385-M425 HydrophobicContact CD2-CE 4.27Å; W385-M425 HydrophobicContact CG-CE 3.67Å; P422-M425 HydrophobicContact CB-CG 4.16Å; M425-Y427 PolarHBondContact O-N 3.23Å; M425-V564 VanDerWaalsContact O-CG2 3.27Å; M425-V564 WeakPolarHBondContact O-CG2 3.46Å
426	G	96.8	Very high	96.8	Very high	5 Å²	5	33.4 Å²	33.4	5%	0.052	19%	0.19	C	C	.	.			trans	69.7	16.7	175.7	0	0	0	0	0	114.7	D424 R454 V455	D424-G426 PolarHBondContact O-N 3.32Å; D424-G426 VanDerWaalsContact O-N 3.11Å; G426-R454 PolarHBondContact O-N 3.11Å; G426-V455 PolarHBondContact O-N 3.17Å
427	Y	98.4	Very high	96.6	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	139.9	177.9	-178.2	-117.1	0	0	0	110.4	D317 N355 F387 P388 M425 V429 V455 S457 P563	D317-Y427 WeakPolarHBondContact OD2-CE1 3.12Å; D317-Y427 PolarHBondContact OD2-OH 3.42Å; N355-Y427 WeakPolarHBondContact ND2-CD1 3.28Å; N355-Y427 VanDerWaalsContact ND2-CE1 3.32Å; N355-Y427 WeakPolarHBondContact ND2-CE1 3.32Å; F387-Y427 HydrophobicContact CB-CD1 3.76Å; F387-Y427 HydrophobicContact CB-CE1 4.44Å; F387-Y427 WeakPolarHBondContact CB-O 3.45Å; F387-Y427 AromaticContact CD1-CD1 3.97Å; F387-Y427 HydrophobicContact CD1-CD1 3.97Å; F387-Y427 AromaticContact CD1-CE1 3.96Å; F387-Y427 HydrophobicContact CD1-CE1 3.96Å; F387-Y427 HydrophobicContact CD2-CE1 4.5Å; F387-Y427 HydrophobicContact CE1-CE1 4.26Å; F387-Y427 AromaticContact CG-CD1 3.88Å; F387-Y427 HydrophobicContact CG-CD1 3.88Å; F387-Y427 HydrophobicContact CG-CE1 4.06Å; P388-Y427 WeakPolarHBondContact CD-O 3.48Å; M425-Y427 PolarHBondContact O-N 3.23Å; Y427-V429 HydrophobicContact CE1-CG2 3.82Å; Y427-V429 HydrophobicContact CE2-CG2 4.42Å; Y427-V429 WeakPolarHBondContact OH-CG2 3.31Å; Y427-V455 VanDerWaalsContact CA-O 3.31Å; Y427-V455 WeakPolarHBondContact CA-O 3.35Å; Y427-V455 HydrophobicContact CD2-CB 3.88Å; Y427-V455 HydrophobicContact CD2-CG1 3.69Å; Y427-V455 WeakPolarHBondContact CD2-O 3.45Å; Y427-V455 HydrophobicContact CE2-CG1 4.02Å; Y427-S457 WeakPolarHBondContact OH-CB 3.43Å; Y427-S457 PolarHBondContact OH-OG 2.9Å; Y427-P563 HydrophobicContact CD1-CB 3.96Å; Y427-P563 HydrophobicContact CD1-CG 3.81Å; Y427-P563 HydrophobicContact CD2-CB 3.7Å; Y427-P563 HydrophobicContact CD2-CG 4.45Å; Y427-P563 HydrophobicContact CE1-CG 4.37Å; Y427-P563 HydrophobicContact CE2-CB 4.3Å; Y427-P563 HydrophobicContact CG-CB 3.49Å; Y427-P563 VanDerWaalsContact CG-CB 3.49Å; Y427-P563 HydrophobicContact CG-CG 3.84Å
428	A	97.9	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158.2	172.7	0	0	0	0	0	109.8	P388 W447 I453 V455 T456	P388-A428 HydrophobicContact CG-CB 3.86Å; A428-W447 HydrophobicContact CB-CZ2 4.04Å; A428-I453 HydrophobicContact CB-CD1 3.65Å; A428-I453 HydrophobicContact CB-CG1 3.81Å; A428-I453 HydrophobicContact CB-CG2 4.26Å; A428-V455 PolarHBondContact N-O 3.31Å; A428-T456 VanDerWaalsContact O-CA 3.24Å; A428-T456 WeakPolarHBondContact O-CA 3.46Å; A428-T456 VanDerWaalsContact O-CB 3.26Å; A428-T456 WeakPolarHBondContact O-CB 3.41Å; A428-T456 PolarHBondContact O-OG1 3.05Å
429	V	97.8	Very high	96.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	14%	0.139	C	C	.	.			trans	-131.3	133.6	168.7	-176.6	0	0	0	0	107.1	F387 H389 Y427 R483	F387-V429 HydrophobicContact CD2-CB 4.14Å; F387-V429 HydrophobicContact CD2-CG2 3.99Å; F387-V429 HydrophobicContact CE2-CB 3.75Å; F387-V429 HydrophobicContact CE2-CG2 3.66Å; F387-V429 HydrophobicContact CZ-CG2 4.2Å; H389-V429 PolarHBondContact ND1-O 3.44Å; Y427-V429 HydrophobicContact CE1-CG2 3.82Å; Y427-V429 HydrophobicContact CE2-CG2 4.42Å; Y427-V429 WeakPolarHBondContact OH-CG2 3.31Å; V429-R483 VanDerWaalsContact CG1-NH1 3.29Å
430	A	97.3	Very high	96.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.126	C	C	.	.			trans	-79.4	143.1	173.8	0	0	0	0	0	111.4	P396 H432 H433 S434 V436 L443 W447	P396-A430 HydrophobicContact CG-CB 3.75Å; A430-H432 PolarHBondContact O-N 3.38Å; A430-H433 WeakPolarHBondContact O-CA 3.39Å; A430-H433 PolarHBondContact O-N 2.94Å; A430-S434 WeakPolarHBondContact CB-O 3.39Å; A430-V436 HydrophobicContact CB-CG2 3.88Å; A430-L443 HydrophobicContact CB-CD2 4.03Å; A430-W447 HydrophobicContact CB-CH2 4.22Å; A430-W447 HydrophobicContact CB-CZ2 3.93Å
431	P	96.6	Very high	96	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-47.9	130.3	170.2	-32.6	38.3	0	0	0	112.4	H389 M390 H433 S434	H389-P431 WeakPolarHBondContact O-CG 3.48Å; M390-P431 HydrophobicContact CB-CG 3.92Å; M390-P431 VanDerWaalsContact CG-CD 3.43Å; M390-P431 HydrophobicContact CG-CG 3.83Å; P431-H433 PolarHBondContact O-N 2.82Å; P431-H433 VanDerWaalsContact O-N 3.08Å; P431-S434 PolarHBondContact O-N 2.87Å
432	H	94.1	Very high	95.8	Very high	85 Å²	85	21.9 Å²	21.9	39%	0.394	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	55.1	20.5	-176.6	-57.1	-87.3	0	0	0	114.9	H393 Q395 A430 S434 R590	H393-H432 AromaticContact CE1-NE2 3.8Å; Q395-H432 HydrophobicContact CG-CB 4.13Å; Q395-H432 VanDerWaalsContact CG-CD2 3.47Å; Q395-H432 WeakPolarHBondContact CG-CD2 3.5Å; Q395-H432 PolarHBondContact NE2-CD2 3.1Å; Q395-H432 VanDerWaalsContact NE2-CD2 3.32Å; A430-H432 PolarHBondContact O-N 3.38Å; H432-S434 PolarHBondContact O-N 3.25Å; H432-R590 PolarHBondContact O-NH2 3.15Å
433	H	95.4	Very high	95.9	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.019	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	57.8	11.5	-173.7	-57.1	-73.1	0	0	0	115.4	A430 P431 G435 V436 S457 E460 R483 M527	A430-H433 WeakPolarHBondContact O-CA 3.39Å; A430-H433 PolarHBondContact O-N 2.94Å; P431-H433 PolarHBondContact O-N 2.82Å; P431-H433 VanDerWaalsContact O-N 3.08Å; H433-G435 PolarHBondContact O-N 3.14Å; H433-V436 WeakPolarHBondContact O-CB 3.43Å; H433-V436 PolarHBondContact O-N 3.29Å; H433-S457 PolarHBondContact ND1-O 3.31Å; H433-E460 HydrophobicContact CB-CG 3.9Å; H433-R483 PolarHBondContact CE1-NH1 3.47Å; H433-M527 PolarHBondContact NE2-SD 3.28Å
434	S	95.8	Very high	95.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	137.1	-176	168.8	0	0	0	0	111.3	P396 H397 A430 P431 H432 V436	P396-S434 WeakPolarHBondContact CD-O 3.27Å; P396-S434 WeakPolarHBondContact CG-O 3.48Å; H397-S434 VanDerWaalsContact CB-OG 3.31Å; H397-S434 WeakPolarHBondContact CB-OG 3.39Å; H397-S434 PolarHBondContact N-OG 3.06Å; H397-S434 PolarHBondContact ND1-OG 3.49Å; A430-S434 WeakPolarHBondContact CB-O 3.39Å; P431-S434 PolarHBondContact O-N 2.87Å; H432-S434 PolarHBondContact O-N 3.25Å; S434-V436 PolarHBondContact O-N 2.84Å
435	G	94.7	Very high	96	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	-12	-179.7	0	0	0	0	0	114.6	H433 P438 H440 L443 Y444	H433-G435 PolarHBondContact O-N 3.14Å; G435-P438 CarbonylContact C-O 3.51Å; G435-P438 WeakPolarHBondContact CA-O 3.5Å; G435-H440 VanDerWaalsContact CA-CB 3.47Å; G435-H440 PolarHBondContact O-N 3.04Å; G435-L443 VanDerWaalsContact C-CD2 3.49Å; G435-Y444 WeakPolarHBondContact O-CE2 3.44Å
436	V	96.8	Very high	96.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-51.6	167.6	-173.5	0	0	0	0	109.2	A430 H433 S434 V439 L443 Y444 W447 T456 T458 V480	A430-V436 HydrophobicContact CB-CG2 3.88Å; H433-V436 WeakPolarHBondContact O-CB 3.43Å; H433-V436 PolarHBondContact O-N 3.29Å; S434-V436 PolarHBondContact O-N 2.84Å; V436-V439 WeakPolarHBondContact O-CG2 3.29Å; V436-L443 HydrophobicContact CG2-CD2 4.2Å; V436-Y444 PolarHBondContact O-OH 3.4Å; V436-W447 HydrophobicContact CG2-CH2 3.63Å; V436-W447 HydrophobicContact CG2-CZ3 4.24Å; V436-T456 HydrophobicContact CG1-CG2 3.72Å; V436-T458 HydrophobicContact CG1-CG2 3.93Å; V436-V480 HydrophobicContact CG1-CG1 3.78Å
437	Y	95.9	Very high	96.1	Very high	1 Å²	1	12.8 Å²	12.8	0%	0.004	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.5	128.2	169.3	-168.1	-98	0	0	0	110.7	E460 Y461 P462 F473 W582 Q583 H591	Y437-E460 HydrophobicContact CD1-CB 4.32Å; Y437-E460 WeakPolarHBondContact CD1-O 3.37Å; Y437-Y461 HydrophobicContact CD1-CD2 4.06Å; Y437-Y461 AromaticContact CD2-CD2 3.52Å; Y437-Y461 HydrophobicContact CD2-CD2 3.52Å; Y437-Y461 HydrophobicContact CD2-CE2 4.33Å; Y437-Y461 HydrophobicContact CD2-CG 4.29Å; Y437-Y461 AromaticContact CE1-CD2 3.92Å; Y437-Y461 HydrophobicContact CE1-CD2 3.92Å; Y437-Y461 AromaticContact CE2-CD2 3.37Å; Y437-Y461 HydrophobicContact CE2-CD2 3.37Å; Y437-Y461 AromaticContact CE2-CE2 3.85Å; Y437-Y461 HydrophobicContact CE2-CE2 3.85Å; Y437-Y461 HydrophobicContact CE2-CG 4.49Å; Y437-Y461 AromaticContact CG-CD2 3.86Å; Y437-Y461 HydrophobicContact CG-CD2 3.86Å; Y437-Y461 HydrophobicContact CG-CG 4.3Å; Y437-Y461 AromaticContact CZ-CD2 3.57Å; Y437-P462 WeakPolarHBondContact CE1-O 3.4Å; Y437-F473 HydrophobicContact CD2-CE1 4.36Å; Y437-F473 HydrophobicContact CD2-CZ 4.17Å; Y437-W582 HydrophobicContact CE2-CE3 4.04Å; Y437-W582 HydrophobicContact CE2-CZ3 4.3Å; Y437-Q583 WeakPolarHBondContact OH-CB 3.45Å; Y437-Q583 VanDerWaalsContact OH-CG 3.28Å; Y437-Q583 WeakPolarHBondContact OH-CG 3.26Å; Y437-Q583 PolarHBondContact OH-N 3.46Å; Y437-H591 AromaticContact CD1-NE2 3.9Å; Y437-H591 AromaticContact CE1-CE1 3.55Å; Y437-H591 AromaticContact CE1-ND1 3.89Å; Y437-H591 AromaticContact CE1-NE2 3.93Å
438	P	95.3	Very high	96	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.013	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	cis	-55.7	144.5	-8.3	-23	34	0	0	0	112.1	G435 H440 P585 H591 W595	G435-P438 CarbonylContact C-O 3.51Å; G435-P438 WeakPolarHBondContact CA-O 3.5Å; P438-H440 PolarHBondContact O-N 3.38Å; P438-P585 HydrophobicContact CB-CB 4.42Å; P438-P585 HydrophobicContact CB-CG 4.37Å; P438-P585 HydrophobicContact CG-CB 3.93Å; P438-P585 HydrophobicContact CG-CG 4.35Å; P438-H591 HydrophobicContact CG-CB 3.65Å; P438-W595 HydrophobicContact CB-CG 4.49Å
439	V	95.4	Very high	95.9	Very high	12 Å²	12	22.5 Å²	22.5	7%	0.073	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	131.3	-173.3	169.9	0	0	0	0	110.6	V436 V441 Y444 F473 H475 W582	V436-V439 WeakPolarHBondContact O-CG2 3.29Å; V439-V441 HydrophobicContact CG1-CG2 4.34Å; V439-Y444 HydrophobicContact CB-CE2 4.46Å; V439-Y444 HydrophobicContact CG1-CD2 4.11Å; V439-Y444 HydrophobicContact CG1-CE2 3.86Å; V439-Y444 HydrophobicContact CG2-CE2 4.27Å; V439-F473 HydrophobicContact CG2-CE2 4.16Å; V439-F473 HydrophobicContact CG2-CZ 4.31Å; V439-H475 WeakPolarHBondContact CG1-NE2 3.38Å; V439-W582 HydrophobicContact CG2-CH2 4.06Å; V439-W582 HydrophobicContact CG2-CZ3 3.83Å
440	H	95	Very high	95.9	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.019	11%	0.112	C	C	.	.			trans	-111.9	104.9	167	-175.3	63.8	0	0	0	108.2	F399 G435 P438 Q442 L443	F399-H440 PolarHBondContact O-CE1 2.99Å; F399-H440 PolarHBondContact O-NE2 3.2Å; G435-H440 VanDerWaalsContact CA-CB 3.47Å; G435-H440 PolarHBondContact O-N 3.04Å; P438-H440 PolarHBondContact O-N 3.38Å; H440-Q442 VanDerWaalsContact C-N 3.26Å; H440-Q442 VanDerWaalsContact CE1-CD 3.49Å; H440-Q442 PolarHBondContact CE1-OE1 3.4Å; H440-Q442 PolarHBondContact ND1-OE1 3.27Å; H440-Q442 PolarHBondContact NE2-OE1 3.2Å; H440-Q442 PolarHBondContact O-N 3.08Å; H440-L443 HydrophobicContact CB-CB 4.47Å; H440-L443 VanDerWaalsContact O-CB 3.28Å; H440-L443 WeakPolarHBondContact O-CB 3.34Å; H440-L443 PolarHBondContact O-N 2.66Å
441	V	93.6	Very high	95.8	Very high	34 Å²	34	23.9 Å²	23.9	21%	0.206	11%	0.114	C	C	.	.	H	α-helix	trans	-56.5	-40.5	-168.1	174.9	0	0	0	0	112.2	V439 L443 Y444 E445 D656	V439-V441 HydrophobicContact CG1-CG2 4.34Å; V441-L443 PolarHBondContact O-N 3.47Å; V441-Y444 PolarHBondContact O-N 2.8Å; V441-E445 HydrophobicContact CG1-CG 4.29Å; V441-E445 PolarHBondContact O-N 3.23Å; V441-E445 VanDerWaalsContact O-N 3.11Å; V441-D656 HydrophobicContact CG2-CB 4.29Å
442	Q	94.5	Very high	95.8	Very high	46 Å²	46	28 Å²	28	22%	0.215	14%	0.143	C	C	.	.	H	α-helix	trans	-58.5	-31.6	179.4	-61.4	88.8	-29.9	0	0	112.6	Q402 H440 A446	Q402-Q442 HydrophobicContact CB-CB 4.12Å; Q402-Q442 HydrophobicContact CB-CG 4.15Å; Q402-Q442 HydrophobicContact CG-CB 4.46Å; H440-Q442 VanDerWaalsContact C-N 3.26Å; H440-Q442 VanDerWaalsContact CE1-CD 3.49Å; H440-Q442 PolarHBondContact CE1-OE1 3.4Å; H440-Q442 PolarHBondContact ND1-OE1 3.27Å; H440-Q442 PolarHBondContact NE2-OE1 3.2Å; H440-Q442 PolarHBondContact O-N 3.08Å; Q442-A446 VanDerWaalsContact O-CB 3.27Å; Q442-A446 WeakPolarHBondContact O-CB 3.49Å; Q442-A446 PolarHBondContact O-N 3.25Å
443	L	96.6	Very high	96	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.3	-48.5	175.2	176.4	63.2	0	0	0	111.2	P396 L405 M409 A430 G435 V436 H440 V441 E445 A446 W447	P396-L443 HydrophobicContact CB-CB 4.23Å; P396-L443 HydrophobicContact CB-CD1 3.89Å; P396-L443 HydrophobicContact CB-CD2 4.01Å; P396-L443 HydrophobicContact CB-CG 4.26Å; P396-L443 HydrophobicContact CG-CD1 3.68Å; P396-L443 HydrophobicContact CG-CD2 3.93Å; P396-L443 HydrophobicContact CG-CG 4.34Å; L405-L443 HydrophobicContact CD2-CB 4.23Å; L405-L443 HydrophobicContact CD2-CD1 4.14Å; M409-L443 HydrophobicContact CE-CD1 3.62Å; A430-L443 HydrophobicContact CB-CD2 4.03Å; G435-L443 VanDerWaalsContact C-CD2 3.49Å; V436-L443 HydrophobicContact CG2-CD2 4.2Å; H440-L443 HydrophobicContact CB-CB 4.47Å; H440-L443 VanDerWaalsContact O-CB 3.28Å; H440-L443 WeakPolarHBondContact O-CB 3.34Å; H440-L443 PolarHBondContact O-N 2.66Å; V441-L443 PolarHBondContact O-N 3.47Å; L443-E445 VanDerWaalsContact C-N 3.29Å; L443-E445 PolarHBondContact O-N 2.88Å; L443-A446 PolarHBondContact O-N 2.63Å; L443-W447 HydrophobicContact CD1-CD2 3.81Å; L443-W447 HydrophobicContact CD1-CE3 4.31Å; L443-W447 HydrophobicContact CD1-CG 4.27Å; L443-W447 HydrophobicContact CD1-CH2 4.35Å; L443-W447 HydrophobicContact CD1-CZ2 3.81Å; L443-W447 HydrophobicContact CD2-CE3 4.32Å; L443-W447 HydrophobicContact CD2-CH2 3.74Å; L443-W447 HydrophobicContact CD2-CZ2 3.99Å; L443-W447 HydrophobicContact CD2-CZ3 3.88Å; L443-W447 HydrophobicContact CG-CD2 3.88Å; L443-W447 HydrophobicContact CG-CE3 3.85Å; L443-W447 HydrophobicContact CG-CH2 4.06Å; L443-W447 HydrophobicContact CG-CZ2 4.04Å; L443-W447 HydrophobicContact CG-CZ3 3.93Å; L443-W447 VanDerWaalsContact O-CB 3.26Å; L443-W447 WeakPolarHBondContact O-CB 3.4Å; L443-W447 PolarHBondContact O-N 3.49Å
444	Y	97.1	Very high	96.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.1	-35.5	-179	-75.8	-108.1	0	0	0	111.5	G435 V436 V439 V441 K448 H475 N476 I478 V480	G435-Y444 WeakPolarHBondContact O-CE2 3.44Å; V436-Y444 PolarHBondContact O-OH 3.4Å; V439-Y444 HydrophobicContact CB-CE2 4.46Å; V439-Y444 HydrophobicContact CG1-CD2 4.11Å; V439-Y444 HydrophobicContact CG1-CE2 3.86Å; V439-Y444 HydrophobicContact CG2-CE2 4.27Å; V441-Y444 PolarHBondContact O-N 2.8Å; Y444-K448 WeakPolarHBondContact O-CE 3.15Å; Y444-K448 WeakPolarHBondContact O-CG 3.38Å; Y444-K448 PolarHBondContact O-N 3.28Å; Y444-H475 AromaticContact CD1-CD2 3.78Å; Y444-H475 HydrophobicContact CE1-CB 4.05Å; Y444-H475 AromaticContact CE1-CD2 3.84Å; Y444-H475 AromaticContact CG-CD2 4Å; Y444-N476 HydrophobicContact CD1-CB 4.39Å; Y444-I478 HydrophobicContact CD1-CB 3.9Å; Y444-I478 HydrophobicContact CD1-CD1 3.67Å; Y444-I478 HydrophobicContact CD1-CG1 4.17Å; Y444-I478 HydrophobicContact CD1-CG2 4.43Å; Y444-I478 HydrophobicContact CE1-CB 4.01Å; Y444-I478 HydrophobicContact CE1-CD1 4.46Å; Y444-I478 HydrophobicContact CE1-CG2 4.23Å; Y444-I478 HydrophobicContact CG-CD1 4.28Å; Y444-V480 HydrophobicContact CE1-CG2 4.25Å; Y444-V480 WeakPolarHBondContact OH-CG2 3.01Å
445	E	96.1	Very high	96.3	Very high	72 Å²	72	30.3 Å²	30.3	34%	0.336	15%	0.148	S	C	.	.	H	α-helix	trans	-70.3	-49.2	176.4	-66.9	174.9	155.6	0	0	111.9	Q402 V441 L443 W447 K448 Q449	Q402-E445 HydrophobicContact CG-CB 4.41Å; Q402-E445 PolarHBondContact OE1-OE2 3.35Å; V441-E445 HydrophobicContact CG1-CG 4.29Å; V441-E445 PolarHBondContact O-N 3.23Å; V441-E445 VanDerWaalsContact O-N 3.11Å; L443-E445 VanDerWaalsContact C-N 3.29Å; L443-E445 PolarHBondContact O-N 2.88Å; E445-W447 VanDerWaalsContact C-N 3.33Å; E445-W447 PolarHBondContact O-N 2.87Å; E445-K448 PolarHBondContact O-N 3.27Å; E445-Q449 WeakPolarHBondContact O-CB 3.48Å; E445-Q449 PolarHBondContact O-N 3.25Å
446	A	97.1	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-40.5	177.2	0	0	0	0	0	112	Q402 L405 A406 M409 Q442 L443 K448 Q449 V450	Q402-A446 HydrophobicContact CG-CB 4.39Å; L405-A446 HydrophobicContact CD2-CB 3.97Å; L405-A446 HydrophobicContact CG-CB 4.31Å; A406-A446 HydrophobicContact CB-CB 4.34Å; M409-A446 HydrophobicContact CE-CB 3.91Å; M409-A446 HydrophobicContact SD-CB 3.78Å; Q442-A446 VanDerWaalsContact O-CB 3.27Å; Q442-A446 WeakPolarHBondContact O-CB 3.49Å; Q442-A446 PolarHBondContact O-N 3.25Å; L443-A446 PolarHBondContact O-N 2.63Å; A446-K448 PolarHBondContact O-N 3.46Å; A446-Q449 PolarHBondContact O-N 2.89Å; A446-V450 WeakPolarHBondContact O-CB 3.22Å; A446-V450 WeakPolarHBondContact O-CG2 3.39Å; A446-V450 PolarHBondContact O-N 3.35Å
447	W	97.4	Very high	96.5	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-59.8	-44.7	174.8	-88.7	-17.5	0	0	0	113.3	M409 A428 A430 V436 L443 E445 W451 S452 I453 T456 I478	M409-W447 HydrophobicContact CE-CG 4.09Å; A428-W447 HydrophobicContact CB-CZ2 4.04Å; A430-W447 HydrophobicContact CB-CH2 4.22Å; A430-W447 HydrophobicContact CB-CZ2 3.93Å; V436-W447 HydrophobicContact CG2-CH2 3.63Å; V436-W447 HydrophobicContact CG2-CZ3 4.24Å; L443-W447 HydrophobicContact CD1-CD2 3.81Å; L443-W447 HydrophobicContact CD1-CE3 4.31Å; L443-W447 HydrophobicContact CD1-CG 4.27Å; L443-W447 HydrophobicContact CD1-CH2 4.35Å; L443-W447 HydrophobicContact CD1-CZ2 3.81Å; L443-W447 HydrophobicContact CD2-CE3 4.32Å; L443-W447 HydrophobicContact CD2-CH2 3.74Å; L443-W447 HydrophobicContact CD2-CZ2 3.99Å; L443-W447 HydrophobicContact CD2-CZ3 3.88Å; L443-W447 HydrophobicContact CG-CD2 3.88Å; L443-W447 HydrophobicContact CG-CE3 3.85Å; L443-W447 HydrophobicContact CG-CH2 4.06Å; L443-W447 HydrophobicContact CG-CZ2 4.04Å; L443-W447 HydrophobicContact CG-CZ3 3.93Å; L443-W447 VanDerWaalsContact O-CB 3.26Å; L443-W447 WeakPolarHBondContact O-CB 3.4Å; L443-W447 PolarHBondContact O-N 3.49Å; E445-W447 VanDerWaalsContact C-N 3.33Å; E445-W447 PolarHBondContact O-N 2.87Å; W447-W451 CarbonylContact O-C 3.52Å; W447-W451 WeakPolarHBondContact O-CB 3.35Å; W447-W451 PolarHBondContact O-N 3.31Å; W447-W451 VanDerWaalsContact O-N 3.07Å; W447-S452 PolarHBondContact O-N 3.17Å; W447-S452 VanDerWaalsContact O-N 3.1Å; W447-I453 HydrophobicContact CB-CB 3.92Å; W447-I453 HydrophobicContact CB-CG1 3.77Å; W447-I453 HydrophobicContact CD2-CG1 4.49Å; W447-I453 HydrophobicContact CG-CB 4.32Å; W447-I453 HydrophobicContact CG-CG1 3.86Å; W447-I453 PolarHBondContact O-N 3.24Å; W447-T456 HydrophobicContact CH2-CG2 4.22Å; W447-T456 VanDerWaalsContact CH2-OG1 3.29Å; W447-T456 WeakPolarHBondContact CH2-OG1 3.25Å; W447-T456 HydrophobicContact CZ3-CG2 3.85Å; W447-I478 HydrophobicContact CB-CD1 4.38Å; W447-I478 HydrophobicContact CE3-CD1 4.22Å
448	K	96.4	Very high	96.6	Very high	76 Å²	76	30.2 Å²	30.2	33%	0.33	15%	0.148	S	C	.	.	H	α-helix	trans	-65.2	-45	175.6	-74.7	-174.8	-67.1	-178.9	0	111.4	Y444 E445 A446 S452 N476 I478	Y444-K448 WeakPolarHBondContact O-CE 3.15Å; Y444-K448 WeakPolarHBondContact O-CG 3.38Å; Y444-K448 PolarHBondContact O-N 3.28Å; E445-K448 PolarHBondContact O-N 3.27Å; A446-K448 PolarHBondContact O-N 3.46Å; K448-S452 WeakPolarHBondContact O-CA 3.35Å; K448-S452 PolarHBondContact O-N 3.12Å; K448-S452 VanDerWaalsContact O-N 3.12Å; K448-N476 PolarHBondContact NZ-ND2 3.2Å; K448-N476 PolarHBondContact NZ-O 2.94Å; K448-N476 PolarHBondContact NZ-OD1 3.33Å; K448-I478 HydrophobicContact CG-CD1 4.02Å; K448-I478 HydrophobicContact CG-CG1 4.37Å
449	Q	95.8	Very high	96.6	Very high	132 Å²	132	31.2 Å²	31.2	62%	0.617	15%	0.152	S	C	*	.	H	α-helix	trans	-65.1	-47.5	-176.8	-177.7	-177.2	-5.9	0	0	112.8	E445 A446	E445-Q449 WeakPolarHBondContact O-CB 3.48Å; E445-Q449 PolarHBondContact O-N 3.25Å; A446-Q449 PolarHBondContact O-N 2.89Å
450	V	97.1	Very high	96.6	Very high	20 Å²	20	30.6 Å²	30.6	12%	0.121	15%	0.149	C	C	.	.	H	α-helix	trans	-88.3	-40.6	-171.5	-178.2	0	0	0	0	111.9	A406 M409 K413 A446	A406-V450 HydrophobicContact CB-CG2 3.83Å; M409-V450 HydrophobicContact CB-CB 4.08Å; M409-V450 HydrophobicContact CB-CG1 3.8Å; M409-V450 HydrophobicContact CB-CG2 4.12Å; M409-V450 HydrophobicContact SD-CB 4.49Å; K413-V450 HydrophobicContact CD-CG1 4.15Å; K413-V450 WeakPolarHBondContact CD-O 3.37Å; K413-V450 PolarHBondContact NZ-O 2.94Å; A446-V450 WeakPolarHBondContact O-CB 3.22Å; A446-V450 WeakPolarHBondContact O-CG2 3.39Å; A446-V450 PolarHBondContact O-N 3.35Å
451	W	95.9	Very high	96.6	Very high	10 Å²	10	30.9 Å²	30.9	4%	0.038	15%	0.15	C	C	.	.	H	α-helix	trans	-117.4	-10.1	-168.5	-66.4	102.8	0	0	0	114.4	Y358 P388 M409 N412 K413 T423 W447 I453	Y358-W451 WeakPolarHBondContact OH-CH2 3.44Å; P388-W451 HydrophobicContact CB-CD2 4.19Å; P388-W451 HydrophobicContact CB-CE3 4.44Å; P388-W451 HydrophobicContact CB-CH2 3.81Å; P388-W451 HydrophobicContact CB-CZ2 3.54Å; P388-W451 HydrophobicContact CB-CZ3 4.25Å; P388-W451 HydrophobicContact CG-CD2 3.81Å; P388-W451 HydrophobicContact CG-CE3 4.05Å; P388-W451 HydrophobicContact CG-CG 4.26Å; P388-W451 HydrophobicContact CG-CH2 4.31Å; P388-W451 HydrophobicContact CG-CZ2 4.12Å; P388-W451 HydrophobicContact CG-CZ3 4.28Å; M409-W451 WeakPolarHBondContact O-CZ2 3.28Å; N412-W451 HydrophobicContact CB-CZ2 4.18Å; K413-W451 HydrophobicContact CB-CH2 3.44Å; K413-W451 VanDerWaalsContact CB-CH2 3.44Å; K413-W451 HydrophobicContact CB-CZ2 3.54Å; K413-W451 HydrophobicContact CB-CZ3 3.98Å; K413-W451 HydrophobicContact CD-CD2 4.47Å; K413-W451 HydrophobicContact CD-CE3 4.23Å; K413-W451 HydrophobicContact CD-CZ3 4.28Å; K413-W451 HydrophobicContact CG-CE3 4.2Å; K413-W451 HydrophobicContact CG-CH2 3.76Å; K413-W451 HydrophobicContact CG-CZ2 4.23Å; K413-W451 HydrophobicContact CG-CZ3 3.75Å; T423-W451 HydrophobicContact CG2-CZ3 3.98Å; W447-W451 CarbonylContact O-C 3.52Å; W447-W451 WeakPolarHBondContact O-CB 3.35Å; W447-W451 PolarHBondContact O-N 3.31Å; W447-W451 VanDerWaalsContact O-N 3.07Å; W451-I453 HydrophobicContact CB-CD1 3.46Å; W451-I453 VanDerWaalsContact CB-CD1 3.46Å; W451-I453 HydrophobicContact CB-CG1 3.64Å; W451-I453 HydrophobicContact CG-CD1 4.26Å; W451-I453 HydrophobicContact CG-CG1 4.49Å; W451-I453 PolarHBondContact O-N 3.02Å
452	S	96.3	Very high	96.5	Very high	85 Å²	85	30.1 Å²	30.1	59%	0.594	15%	0.145	S	C	*	.			trans	55.2	39	-170.4	-58.2	0	0	0	0	112.8	W447 K448 R454	W447-S452 PolarHBondContact O-N 3.17Å; W447-S452 VanDerWaalsContact O-N 3.1Å; K448-S452 WeakPolarHBondContact O-CA 3.35Å; K448-S452 PolarHBondContact O-N 3.12Å; K448-S452 VanDerWaalsContact O-N 3.12Å; S452-R454 PolarHBondContact O-N 2.83Å
453	I	97.9	Very high	96.3	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.036	15%	0.145	C	C	.	.			trans	-61.2	136.5	178.3	-57.4	-50.7	0	0	0	110.5	A428 W447 W451 V455 I478	A428-I453 HydrophobicContact CB-CD1 3.65Å; A428-I453 HydrophobicContact CB-CG1 3.81Å; A428-I453 HydrophobicContact CB-CG2 4.26Å; W447-I453 HydrophobicContact CB-CB 3.92Å; W447-I453 HydrophobicContact CB-CG1 3.77Å; W447-I453 HydrophobicContact CD2-CG1 4.49Å; W447-I453 HydrophobicContact CG-CB 4.32Å; W447-I453 HydrophobicContact CG-CG1 3.86Å; W447-I453 PolarHBondContact O-N 3.24Å; W451-I453 HydrophobicContact CB-CD1 3.46Å; W451-I453 VanDerWaalsContact CB-CD1 3.46Å; W451-I453 HydrophobicContact CB-CG1 3.64Å; W451-I453 HydrophobicContact CG-CD1 4.26Å; W451-I453 HydrophobicContact CG-CG1 4.49Å; W451-I453 PolarHBondContact O-N 3.02Å; I453-V455 WeakPolarHBondContact CG2-O 3.39Å; I453-I478 HydrophobicContact CG2-CD1 4.45Å; I453-I478 HydrophobicContact CG2-CG2 4.44Å
454	R	98.3	Very high	95.9	Very high	131 Å²	131	32 Å²	32	49%	0.494	16%	0.155	S	C	.	.			trans	-118.5	-19.2	174	-65.3	-179	-70	177.2	-3.5	112.3	G426 S452 I478 M479	G426-R454 PolarHBondContact O-N 3.11Å; S452-R454 PolarHBondContact O-N 2.83Å; R454-I478 WeakPolarHBondContact O-CA 3.41Å; R454-M479 PolarHBondContact O-N 2.94Å
455	V	98.6	Very high	95.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	142	-176.9	-173.7	0	0	0	0	111.1	G426 Y427 A428 I453 M479 L481 V564 A567	G426-V455 PolarHBondContact O-N 3.17Å; Y427-V455 VanDerWaalsContact CA-O 3.31Å; Y427-V455 WeakPolarHBondContact CA-O 3.35Å; Y427-V455 HydrophobicContact CD2-CB 3.88Å; Y427-V455 HydrophobicContact CD2-CG1 3.69Å; Y427-V455 WeakPolarHBondContact CD2-O 3.45Å; Y427-V455 HydrophobicContact CE2-CG1 4.02Å; A428-V455 PolarHBondContact N-O 3.31Å; I453-V455 WeakPolarHBondContact CG2-O 3.39Å; V455-M479 CarbonylContact C-O 3.56Å; V455-M479 VanDerWaalsContact CA-O 3.25Å; V455-M479 WeakPolarHBondContact CA-O 3.27Å; V455-M479 HydrophobicContact CG2-CB 4.23Å; V455-M479 HydrophobicContact CG2-CE 3.82Å; V455-L481 HydrophobicContact CG1-CD1 3.93Å; V455-L481 HydrophobicContact CG1-CG 4.11Å; V455-V564 HydrophobicContact CG2-CB 4.38Å; V455-V564 HydrophobicContact CG2-CG2 4.08Å; V455-A567 HydrophobicContact CB-CB 4.33Å; V455-A567 HydrophobicContact CG1-CB 3.73Å; V455-A567 HydrophobicContact CG2-CB 3.54Å
456	T	98.6	Very high	95.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	172.2	165.5	-178.5	0	0	0	0	108.9	A428 V436 W447 I478 M479 V480 L481	A428-T456 VanDerWaalsContact O-CA 3.24Å; A428-T456 WeakPolarHBondContact O-CA 3.46Å; A428-T456 VanDerWaalsContact O-CB 3.26Å; A428-T456 WeakPolarHBondContact O-CB 3.41Å; A428-T456 PolarHBondContact O-OG1 3.05Å; V436-T456 HydrophobicContact CG1-CG2 3.72Å; W447-T456 HydrophobicContact CH2-CG2 4.22Å; W447-T456 VanDerWaalsContact CH2-OG1 3.29Å; W447-T456 WeakPolarHBondContact CH2-OG1 3.25Å; W447-T456 HydrophobicContact CZ3-CG2 3.85Å; T456-I478 HydrophobicContact CG2-CG2 3.93Å; T456-M479 PolarHBondContact N-O 3.39Å; T456-V480 HydrophobicContact CG2-CB 4.24Å; T456-V480 HydrophobicContact CG2-CG1 4.14Å; T456-V480 HydrophobicContact CG2-CG2 3.72Å; T456-V480 WeakPolarHBondContact O-CA 3.21Å; T456-L481 PolarHBondContact O-N 3.15Å
457	S	98	Very high	95.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157.3	170.6	67.1	0	0	0	0	112	Y427 H433 L481 R483	Y427-S457 WeakPolarHBondContact OH-CB 3.43Å; Y427-S457 PolarHBondContact OH-OG 2.9Å; H433-S457 PolarHBondContact ND1-O 3.31Å; S457-L481 VanDerWaalsContact CA-O 3.23Å; S457-L481 WeakPolarHBondContact CA-O 3.38Å; S457-L481 WeakPolarHBondContact CB-O 3.08Å; S457-R483 WeakPolarHBondContact OG-CD 3.43Å
458	T	97.4	Very high	94.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	146.5	174.1	-175.1	0	0	0	0	111.3	V436 E460 V480 L481 R483	V436-T458 HydrophobicContact CG1-CG2 3.93Å; T458-E460 WeakPolarHBondContact OG1-CB 3.47Å; T458-E460 PolarHBondContact OG1-N 3.03Å; T458-V480 HydrophobicContact CG2-CG1 3.67Å; T458-L481 PolarHBondContact N-O 2.94Å; T458-R483 PolarHBondContact O-N 2.81Å
459	E	95.4	Very high	94.6	Very high	22 Å²	22	43.9 Å²	43.9	10%	0.103	21%	0.212	C	C	.	.	S	Bend	trans	-90.8	-6.5	167.4	61.3	172.9	-173.2	0	0	113.5	L464 R470 R483 T485	E459-L464 HydrophobicContact CB-CD1 4.14Å; E459-L464 VanDerWaalsContact CD-CD1 3.47Å; E459-L464 HydrophobicContact CG-CD1 3.65Å; E459-R470 PolarHBondContact O-NE 2.78Å; E459-R470 IonicContact OE2-NH1 2.63Å; E459-R470 IonicContact OE2-NH2 3.65Å; E459-R483 HydrophobicContact CB-CB 4.44Å; E459-T485 WeakPolarHBondContact OE2-CG2 3.42Å
460	E	95.4	Very high	94.5	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.			trans	-85	-16.1	-169.3	-59.5	-71.9	-173.4	0	0	113.3	H433 Y437 T458 P462 H463 R590 H591 I594	H433-E460 HydrophobicContact CB-CG 3.9Å; Y437-E460 HydrophobicContact CD1-CB 4.32Å; Y437-E460 WeakPolarHBondContact CD1-O 3.37Å; T458-E460 WeakPolarHBondContact OG1-CB 3.47Å; T458-E460 PolarHBondContact OG1-N 3.03Å; E460-P462 CarbonylContact O-C 3.56Å; E460-P462 VanDerWaalsContact O-C 3.25Å; E460-H463 CarbonylContact O-C 3.54Å; E460-H463 VanDerWaalsContact O-C 3.3Å; E460-H463 WeakPolarHBondContact O-CA 3.38Å; E460-H463 PolarHBondContact O-N 2.81Å; E460-H463 VanDerWaalsContact O-N 3.12Å; E460-R590 IonicContact OE1-CZ 3.37Å; E460-R590 IonicContact OE1-NE 2.67Å; E460-R590 PolarHBondContact OE1-NE 2.71Å; E460-R590 IonicContact OE1-NH2 3.88Å; E460-R590 PolarHBondContact OE1-NH2 3.28Å; E460-R590 WeakPolarHBondContact OE2-CG 3.46Å; E460-H591 PolarHBondContact O-CE1 2.92Å; E460-H591 PolarHBondContact O-NE2 3.05Å; E460-H591 IonicContact OE2-CD2 3.89Å; E460-H591 IonicContact OE2-NE2 3.78Å; E460-I594 HydrophobicContact CG-CD1 4.01Å
461	Y	96.2	Very high	94.5	Very high	9 Å²	9	39.6 Å²	39.6	4%	0.035	19%	0.187	C	C	.	.	S	Bend	trans	-103.5	135.4	-172	178.1	-99.3	0	0	0	114.3	Y437 R470 R471 F473 L581	Y437-Y461 HydrophobicContact CD1-CD2 4.06Å; Y437-Y461 AromaticContact CD2-CD2 3.52Å; Y437-Y461 HydrophobicContact CD2-CD2 3.52Å; Y437-Y461 HydrophobicContact CD2-CE2 4.33Å; Y437-Y461 HydrophobicContact CD2-CG 4.29Å; Y437-Y461 AromaticContact CE1-CD2 3.92Å; Y437-Y461 HydrophobicContact CE1-CD2 3.92Å; Y437-Y461 AromaticContact CE2-CD2 3.37Å; Y437-Y461 HydrophobicContact CE2-CD2 3.37Å; Y437-Y461 AromaticContact CE2-CE2 3.85Å; Y437-Y461 HydrophobicContact CE2-CE2 3.85Å; Y437-Y461 HydrophobicContact CE2-CG 4.49Å; Y437-Y461 AromaticContact CG-CD2 3.86Å; Y437-Y461 HydrophobicContact CG-CD2 3.86Å; Y437-Y461 HydrophobicContact CG-CG 4.3Å; Y437-Y461 AromaticContact CZ-CD2 3.57Å; Y461-R470 VanDerWaalsContact O-CA 3.27Å; Y461-R470 WeakPolarHBondContact O-CA 3.28Å; Y461-R471 HydrophobicContact CD1-CB 4.23Å; Y461-R471 VanDerWaalsContact CD1-O 3.31Å; Y461-R471 WeakPolarHBondContact CD1-O 3.25Å; Y461-R471 HydrophobicContact CE1-CB 3.86Å; Y461-R471 PolarHBondContact O-N 3.3Å; Y461-F473 AromaticContact CD1-CD1 3.44Å; Y461-F473 HydrophobicContact CD1-CD1 3.44Å; Y461-F473 VanDerWaalsContact CD1-CD1 3.44Å; Y461-F473 AromaticContact CD1-CE1 3.89Å; Y461-F473 HydrophobicContact CD1-CE1 3.89Å; Y461-F473 HydrophobicContact CD1-CG 4.47Å; Y461-F473 HydrophobicContact CD2-CD1 4.01Å; Y461-F473 AromaticContact CD2-CE1 3.93Å; Y461-F473 HydrophobicContact CD2-CE1 3.93Å; Y461-F473 HydrophobicContact CE1-CB 4.1Å; Y461-F473 AromaticContact CE1-CD1 3.57Å; Y461-F473 HydrophobicContact CE1-CD1 3.57Å; Y461-F473 HydrophobicContact CE1-CE1 4.39Å; Y461-F473 HydrophobicContact CE1-CG 4.2Å; Y461-F473 HydrophobicContact CE2-CD1 4.17Å; Y461-F473 HydrophobicContact CE2-CE1 4.46Å; Y461-F473 AromaticContact CG-CD1 3.65Å; Y461-F473 HydrophobicContact CG-CD1 3.65Å; Y461-F473 AromaticContact CG-CE1 3.62Å; Y461-F473 HydrophobicContact CG-CE1 3.62Å; Y461-F473 AromaticContact CZ-CD1 3.95Å; Y461-L581 PolarHBondContact OH-N 3.5Å
462	P	91.3	Very high	94.5	Very high	18 Å²	18	39.1 Å²	39.1	12%	0.117	19%	0.186	C	C	.	.	S	Bend	cis	-72.7	-18.2	-10.3	31.8	-33.7	0	0	0	112.2	Y437 E460 Y469 Q583 H591	Y437-P462 WeakPolarHBondContact CE1-O 3.4Å; E460-P462 CarbonylContact O-C 3.56Å; E460-P462 VanDerWaalsContact O-C 3.25Å; P462-Y469 WeakPolarHBondContact CD-O 3.19Å; P462-Q583 HydrophobicContact CB-CG 3.68Å; P462-Q583 WeakPolarHBondContact O-CG 3.35Å; P462-H591 PolarHBondContact O-CE1 3.44Å
463	H	89.1	Confident	94.6	Very high	46 Å²	46	35.1 Å²	35.1	21%	0.213	16%	0.158	C	C	.	.			trans	-146.3	153	176.2	-64	-71.1	0	0	0	109.5	E460 K465 Q583 D588 H591	E460-H463 CarbonylContact O-C 3.54Å; E460-H463 VanDerWaalsContact O-C 3.3Å; E460-H463 WeakPolarHBondContact O-CA 3.38Å; E460-H463 PolarHBondContact O-N 2.81Å; E460-H463 VanDerWaalsContact O-N 3.12Å; H463-K465 VanDerWaalsContact C-N 3.29Å; H463-K465 PolarHBondContact O-N 3.34Å; H463-Q583 WeakPolarHBondContact NE2-CG 3.31Å; H463-Q583 PolarHBondContact NE2-OE1 3.23Å; H463-D588 IonicContact ND1-OD2 3.11Å; H463-H591 AromaticContact ND1-CE1 3.77Å
464	L	89.4	Confident	94.6	Very high	41 Å²	41	37.2 Å²	37.2	22%	0.215	17%	0.169	C	C	.	.	S	Bend	trans	-61.8	-39.7	175.8	-177.9	65.5	0	0	0	111.8	E459 R470	E459-L464 HydrophobicContact CB-CD1 4.14Å; E459-L464 VanDerWaalsContact CD-CD1 3.47Å; E459-L464 HydrophobicContact CG-CD1 3.65Å; L464-R470 PolarHBondContact O-NE 3.39Å; L464-R470 PolarHBondContact O-NH2 3.17Å
465	K	89.7	Confident	94.5	Very high	168 Å²	168	31.3 Å²	31.3	73%	0.73	15%	0.147	S	C	*	.	S	Bend	trans	-134.2	147.2	179.7	-65	-169.5	-178.5	-173.6	0	111.4	H463	H463-K465 VanDerWaalsContact C-N 3.29Å; H463-K465 PolarHBondContact O-N 3.34Å
466	P	91.8	Very high	94.3	Very high	40 Å²	40	34.3 Å²	34.3	26%	0.26	16%	0.163	S	C	.	.	S	Bend	cis	-74.9	146.4	-7.4	32.4	-36	0	0	0	112.2	R468 Y469	P466-R468 HydrophobicContact CB-CG 4.18Å; P466-R468 HydrophobicContact CG-CG 4.25Å; P466-R468 PolarHBondContact O-N 2.95Å; P466-R468 VanDerWaalsContact O-N 3.14Å; P466-Y469 HydrophobicContact CG-CD2 3.43Å; P466-Y469 VanDerWaalsContact CG-CD2 3.43Å; P466-Y469 HydrophobicContact CG-CE2 3.49Å; P466-Y469 VanDerWaalsContact CG-CE2 3.49Å; P466-Y469 HydrophobicContact CG-CG 3.98Å; P466-Y469 PolarHBondContact O-N 2.99Å
467	A	90.5	Very high	94.1	Very high	29 Å²	29	37.3 Å²	37.3	24%	0.24	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-59.1	-30.6	-174.1	0	0	0	0	0	114	Y469 R470	A467-Y469 PolarHBondContact O-N 3.39Å; A467-R470 VanDerWaalsContact O-CB 3.31Å; A467-R470 WeakPolarHBondContact O-CB 3.44Å; A467-R470 VanDerWaalsContact O-CG 3.29Å; A467-R470 WeakPolarHBondContact O-CG 3.29Å; A467-R470 PolarHBondContact O-N 3.44Å
468	R	91.8	Very high	94.2	Very high	76 Å²	76	37.3 Å²	37.3	29%	0.287	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-60	-17.2	176.1	66.3	-169	-178	-98.1	0.1	114.6	E105 S106 R108 P466 R471	E105-R468 VanDerWaalsContact OE2-CD 3.31Å; E105-R468 WeakPolarHBondContact OE2-CD 3.22Å; E105-R468 IonicContact OE2-CZ 3.37Å; E105-R468 IonicContact OE2-NE 2.62Å; E105-R468 PolarHBondContact OE2-NE 3.34Å; E105-R468 IonicContact OE2-NH2 3.76Å; S106-R468 VanDerWaalsContact OG-CB 3.26Å; S106-R468 WeakPolarHBondContact OG-CB 3.23Å; R108-R468 PolarHBondContact NH1-O 3.03Å; P466-R468 HydrophobicContact CB-CG 4.18Å; P466-R468 HydrophobicContact CG-CG 4.25Å; P466-R468 PolarHBondContact O-N 2.95Å; P466-R468 VanDerWaalsContact O-N 3.14Å; R468-R471 PolarHBondContact O-NH1 3.17Å; R468-R471 PolarHBondContact O-NH2 3.05Å
469	Y	92.4	Very high	94.2	Very high	88 Å²	88	38.8 Å²	38.8	35%	0.345	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-89.6	-4.6	173.9	-65.3	-19.2	0	0	0	114.2	E105 P462 P466 A467 R471	E105-Y469 HydrophobicContact CB-CE1 4.47Å; E105-Y469 HydrophobicContact CG-CE1 4.31Å; E105-Y469 PolarHBondContact OE1-OH 2.85Å; E105-Y469 VanDerWaalsContact OE1-OH 3.04Å; P462-Y469 WeakPolarHBondContact CD-O 3.19Å; P466-Y469 HydrophobicContact CG-CD2 3.43Å; P466-Y469 VanDerWaalsContact CG-CD2 3.43Å; P466-Y469 HydrophobicContact CG-CE2 3.49Å; P466-Y469 VanDerWaalsContact CG-CE2 3.49Å; P466-Y469 HydrophobicContact CG-CG 3.98Å; P466-Y469 PolarHBondContact O-N 2.99Å; A467-Y469 PolarHBondContact O-N 3.39Å; Y469-R471 VanDerWaalsContact CA-NH1 3.28Å; Y469-R471 WeakPolarHBondContact O-CG 3.42Å; Y469-R471 PolarHBondContact O-N 2.93Å; Y469-R471 PolarHBondContact O-NH1 3.32Å; Y469-R471 VanDerWaalsContact O-NH1 3.11Å
470	R	94.3	Very high	94.4	Very high	7 Å²	7	37.8 Å²	37.8	3%	0.026	20%	0.196	C	C	.	.			trans	-63.5	136.9	177.8	-65.1	173.9	-172	177.3	1.3	111.1	R108 E459 Y461 L464 A467 P482 R483	R108-R470 PolarHBondContact NH2-O 3.4Å; E459-R470 PolarHBondContact O-NE 2.78Å; E459-R470 IonicContact OE2-NH1 2.63Å; E459-R470 IonicContact OE2-NH2 3.65Å; Y461-R470 VanDerWaalsContact O-CA 3.27Å; Y461-R470 WeakPolarHBondContact O-CA 3.28Å; L464-R470 PolarHBondContact O-NE 3.39Å; L464-R470 PolarHBondContact O-NH2 3.17Å; A467-R470 VanDerWaalsContact O-CB 3.31Å; A467-R470 WeakPolarHBondContact O-CB 3.44Å; A467-R470 VanDerWaalsContact O-CG 3.29Å; A467-R470 WeakPolarHBondContact O-CG 3.29Å; A467-R470 PolarHBondContact O-N 3.44Å; R470-P482 HydrophobicContact CB-CB 3.85Å; R470-R483 WeakPolarHBondContact CD-O 3.33Å; R470-R483 PolarHBondContact NH1-O 2.89Å
471	R	95.5	Very high	94.5	Very high	54 Å²	54	37.8 Å²	37.8	20%	0.204	20%	0.196	C	C	.	.			trans	-136.8	165.3	-174.5	-62.7	-68.8	176.1	-79.8	5.4	110.3	R108 Y461 R468 Y469 E577	R108-R471 VanDerWaalsContact NE-NE 3.15Å; R108-R471 VanDerWaalsContact NH1-CZ 3.31Å; Y461-R471 HydrophobicContact CD1-CB 4.23Å; Y461-R471 VanDerWaalsContact CD1-O 3.31Å; Y461-R471 WeakPolarHBondContact CD1-O 3.25Å; Y461-R471 HydrophobicContact CE1-CB 3.86Å; Y461-R471 PolarHBondContact O-N 3.3Å; R468-R471 PolarHBondContact O-NH1 3.17Å; R468-R471 PolarHBondContact O-NH2 3.05Å; Y469-R471 VanDerWaalsContact CA-NH1 3.28Å; Y469-R471 WeakPolarHBondContact O-CG 3.42Å; Y469-R471 PolarHBondContact O-N 2.93Å; Y469-R471 PolarHBondContact O-NH1 3.32Å; Y469-R471 VanDerWaalsContact O-NH1 3.11Å; R471-E577 WeakPolarHBondContact CB-OE2 3.38Å; R471-E577 WeakPolarHBondContact CD-OE1 3.37Å; R471-E577 VanDerWaalsContact CD-OE2 3.31Å; R471-E577 WeakPolarHBondContact CD-OE2 3.31Å; R471-E577 IonicContact NE-OE1 3.62Å
472	G	97	Very high	94.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.01	20%	0.196	C	C	.	.			trans	-84.2	166.8	165.3	0	0	0	0	0	111.1	V480 Y570 E577	G472-V480 CarbonylContact C-O 3.48Å; G472-V480 WeakPolarHBondContact CA-O 3.23Å; G472-Y570 PolarHBondContact N-OH 3.4Å; G472-Y570 VanDerWaalsContact N-OH 3.08Å; G472-E577 CarbonylContact C-O 3.59Å; G472-E577 PolarHBondContact N-OE2 3.45Å; G472-E577 VanDerWaalsContact N-OE2 3.11Å
473	F	98	Very high	94.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	165.5	162.7	66.8	-81.3	0	0	0	110.8	Y437 V439 Y461 H475 V480 F571 E577 P580 W582	Y437-F473 HydrophobicContact CD2-CE1 4.36Å; Y437-F473 HydrophobicContact CD2-CZ 4.17Å; V439-F473 HydrophobicContact CG2-CE2 4.16Å; V439-F473 HydrophobicContact CG2-CZ 4.31Å; Y461-F473 AromaticContact CD1-CD1 3.44Å; Y461-F473 HydrophobicContact CD1-CD1 3.44Å; Y461-F473 VanDerWaalsContact CD1-CD1 3.44Å; Y461-F473 AromaticContact CD1-CE1 3.89Å; Y461-F473 HydrophobicContact CD1-CE1 3.89Å; Y461-F473 HydrophobicContact CD1-CG 4.47Å; Y461-F473 HydrophobicContact CD2-CD1 4.01Å; Y461-F473 AromaticContact CD2-CE1 3.93Å; Y461-F473 HydrophobicContact CD2-CE1 3.93Å; Y461-F473 HydrophobicContact CE1-CB 4.1Å; Y461-F473 AromaticContact CE1-CD1 3.57Å; Y461-F473 HydrophobicContact CE1-CD1 3.57Å; Y461-F473 HydrophobicContact CE1-CE1 4.39Å; Y461-F473 HydrophobicContact CE1-CG 4.2Å; Y461-F473 HydrophobicContact CE2-CD1 4.17Å; Y461-F473 HydrophobicContact CE2-CE1 4.46Å; Y461-F473 AromaticContact CG-CD1 3.65Å; Y461-F473 HydrophobicContact CG-CD1 3.65Å; Y461-F473 AromaticContact CG-CE1 3.62Å; Y461-F473 HydrophobicContact CG-CE1 3.62Å; Y461-F473 AromaticContact CZ-CD1 3.95Å; F473-H475 HydrophobicContact CD2-CB 4Å; F473-H475 HydrophobicContact CE2-CB 3.76Å; F473-V480 HydrophobicContact CD1-CB 3.81Å; F473-V480 HydrophobicContact CD1-CG1 4.01Å; F473-V480 HydrophobicContact CD1-CG2 4.36Å; F473-V480 HydrophobicContact CD2-CB 4.42Å; F473-V480 HydrophobicContact CD2-CG2 4.17Å; F473-V480 HydrophobicContact CE1-CB 3.64Å; F473-V480 HydrophobicContact CE1-CG1 3.47Å; F473-V480 VanDerWaalsContact CE1-CG1 3.47Å; F473-V480 HydrophobicContact CE1-CG2 3.96Å; F473-V480 HydrophobicContact CE2-CB 4.26Å; F473-V480 HydrophobicContact CE2-CG2 3.74Å; F473-V480 HydrophobicContact CG-CB 4.22Å; F473-V480 HydrophobicContact CG-CG2 4.47Å; F473-V480 HydrophobicContact CZ-CB 3.88Å; F473-V480 HydrophobicContact CZ-CG1 3.89Å; F473-V480 HydrophobicContact CZ-CG2 3.63Å; F473-V480 PolarHBondContact N-O 2.72Å; F473-V480 WeakPolarHBondContact O-CA 3.38Å; F473-V480 WeakPolarHBondContact O-CB 3.27Å; F473-V480 PolarHBondContact O-N 2.74Å; F473-F571 WeakPolarHBondContact O-CZ 3.35Å; F473-E577 WeakPolarHBondContact CA-O 3.3Å; F473-P580 HydrophobicContact CB-CB 4.04Å; F473-P580 HydrophobicContact CD2-CB 3.98Å; F473-P580 HydrophobicContact CG-CB 4.26Å; F473-W582 HydrophobicContact CD2-CH2 4.2Å; F473-W582 HydrophobicContact CD2-CZ3 4.23Å; F473-W582 HydrophobicContact CE2-CH2 4.08Å; F473-W582 AromaticContact CE2-CZ3 3.95Å; F473-W582 HydrophobicContact CE2-CZ3 3.95Å
474	I	97.8	Very high	95.1	Very high	51 Å²	51	35.1 Å²	35.1	26%	0.262	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.8	173.4	-56.2	-178	0	0	0	109	I478 M479 F571 K578	I474-I478 WeakPolarHBondContact CA-O 3.43Å; I474-M479 HydrophobicContact CD1-CG 4.02Å; I474-M479 HydrophobicContact CG1-CG 4.03Å; I474-F571 HydrophobicContact CD1-CD1 4.44Å; I474-F571 HydrophobicContact CD1-CD2 4.35Å; I474-F571 HydrophobicContact CD1-CE2 4.46Å; I474-F571 HydrophobicContact CD1-CG 4.35Å; I474-F571 HydrophobicContact CG1-CD1 4.46Å; I474-F571 HydrophobicContact CG1-CD2 4.45Å; I474-F571 HydrophobicContact CG1-CE1 4.05Å; I474-F571 HydrophobicContact CG1-CE2 4.08Å; I474-F571 HydrophobicContact CG1-CZ 3.85Å; I474-K578 HydrophobicContact CD1-CB 4.13Å; I474-K578 HydrophobicContact CD1-CD 4.42Å; I474-K578 HydrophobicContact CD1-CG 3.91Å; I474-K578 HydrophobicContact CG1-CB 4.45Å; I474-K578 PolarHBondContact N-O 3.5Å
475	H	96.8	Very high	95.3	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.1	174.4	-178.7	67.6	0	0	0	111	V439 Y444 F473 G477 I478 W582 H652	V439-H475 WeakPolarHBondContact CG1-NE2 3.38Å; Y444-H475 AromaticContact CD1-CD2 3.78Å; Y444-H475 HydrophobicContact CE1-CB 4.05Å; Y444-H475 AromaticContact CE1-CD2 3.84Å; Y444-H475 AromaticContact CG-CD2 4Å; F473-H475 HydrophobicContact CD2-CB 4Å; F473-H475 HydrophobicContact CE2-CB 3.76Å; H475-G477 PolarHBondContact O-N 2.97Å; H475-I478 PolarHBondContact N-O 3.35Å; H475-I478 PolarHBondContact O-N 3.03Å; H475-W582 HydrophobicContact CB-CH2 4.25Å; H475-W582 AromaticContact ND1-CH2 3.86Å; H475-W582 AromaticContact ND1-CZ2 3.98Å; H475-H652 PolarHBondContact ND1-O 3.24Å
476	N	94.3	Very high	95.5	Very high	63 Å²	63	28 Å²	28	34%	0.337	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	31.9	177.7	-156.3	8.4	0	0	0	114.7	Y444 K448 I478	Y444-N476 HydrophobicContact CD1-CB 4.39Å; K448-N476 PolarHBondContact NZ-ND2 3.2Å; K448-N476 PolarHBondContact NZ-O 2.94Å; K448-N476 PolarHBondContact NZ-OD1 3.33Å; N476-I478 VanDerWaalsContact C-N 3.34Å
477	G	95.1	Very high	95.5	Very high	62 Å²	62	27.2 Å²	27.2	64%	0.639	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.6	0.8	-177.7	0	0	0	0	0	115.5	H475	H475-G477 PolarHBondContact O-N 2.97Å
478	I	98.4	Very high	95.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.3	176.9	-62.5	177.5	0	0	0	109.1	Y444 W447 K448 I453 R454 T456 I474 H475 N476	Y444-I478 HydrophobicContact CD1-CB 3.9Å; Y444-I478 HydrophobicContact CD1-CD1 3.67Å; Y444-I478 HydrophobicContact CD1-CG1 4.17Å; Y444-I478 HydrophobicContact CD1-CG2 4.43Å; Y444-I478 HydrophobicContact CE1-CB 4.01Å; Y444-I478 HydrophobicContact CE1-CD1 4.46Å; Y444-I478 HydrophobicContact CE1-CG2 4.23Å; Y444-I478 HydrophobicContact CG-CD1 4.28Å; W447-I478 HydrophobicContact CB-CD1 4.38Å; W447-I478 HydrophobicContact CE3-CD1 4.22Å; K448-I478 HydrophobicContact CG-CD1 4.02Å; K448-I478 HydrophobicContact CG-CG1 4.37Å; I453-I478 HydrophobicContact CG2-CD1 4.45Å; I453-I478 HydrophobicContact CG2-CG2 4.44Å; R454-I478 WeakPolarHBondContact O-CA 3.41Å; T456-I478 HydrophobicContact CG2-CG2 3.93Å; I474-I478 WeakPolarHBondContact CA-O 3.43Å; H475-I478 PolarHBondContact N-O 3.35Å; H475-I478 PolarHBondContact O-N 3.03Å; N476-I478 VanDerWaalsContact C-N 3.34Å
479	M	98.7	Very high	95.6	Very high	32 Å²	32	27.9 Å²	27.9	16%	0.158	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	121	173.6	-77.5	-178.9	-64.9	0	0	110	R454 V455 T456 I474 A567 Q568 F571	R454-M479 PolarHBondContact O-N 2.94Å; V455-M479 CarbonylContact C-O 3.56Å; V455-M479 VanDerWaalsContact CA-O 3.25Å; V455-M479 WeakPolarHBondContact CA-O 3.27Å; V455-M479 HydrophobicContact CG2-CB 4.23Å; V455-M479 HydrophobicContact CG2-CE 3.82Å; T456-M479 PolarHBondContact N-O 3.39Å; I474-M479 HydrophobicContact CD1-CG 4.02Å; I474-M479 HydrophobicContact CG1-CG 4.03Å; M479-A567 HydrophobicContact CB-CB 4.05Å; M479-A567 HydrophobicContact CE-CB 3.71Å; M479-A567 HydrophobicContact SD-CB 3.86Å; M479-Q568 HydrophobicContact CE-CG 4.21Å; M479-F571 HydrophobicContact CB-CD2 4.25Å; M479-F571 HydrophobicContact CB-CE2 3.67Å; M479-F571 HydrophobicContact CG-CD2 3.79Å; M479-F571 HydrophobicContact CG-CE2 3.65Å; M479-F571 HydrophobicContact SD-CD2 3.68Å; M479-F571 HydrophobicContact SD-CE2 4.12Å
480	V	98.6	Very high	95.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.5	178.3	-174	0	0	0	0	108.8	V436 Y444 T456 T458 G472 F473	V436-V480 HydrophobicContact CG1-CG1 3.78Å; Y444-V480 HydrophobicContact CE1-CG2 4.25Å; Y444-V480 WeakPolarHBondContact OH-CG2 3.01Å; T456-V480 HydrophobicContact CG2-CB 4.24Å; T456-V480 HydrophobicContact CG2-CG1 4.14Å; T456-V480 HydrophobicContact CG2-CG2 3.72Å; T456-V480 WeakPolarHBondContact O-CA 3.21Å; T458-V480 HydrophobicContact CG2-CG1 3.67Å; G472-V480 CarbonylContact C-O 3.48Å; G472-V480 WeakPolarHBondContact CA-O 3.23Å; F473-V480 HydrophobicContact CD1-CB 3.81Å; F473-V480 HydrophobicContact CD1-CG1 4.01Å; F473-V480 HydrophobicContact CD1-CG2 4.36Å; F473-V480 HydrophobicContact CD2-CB 4.42Å; F473-V480 HydrophobicContact CD2-CG2 4.17Å; F473-V480 HydrophobicContact CE1-CB 3.64Å; F473-V480 HydrophobicContact CE1-CG1 3.47Å; F473-V480 VanDerWaalsContact CE1-CG1 3.47Å; F473-V480 HydrophobicContact CE1-CG2 3.96Å; F473-V480 HydrophobicContact CE2-CB 4.26Å; F473-V480 HydrophobicContact CE2-CG2 3.74Å; F473-V480 HydrophobicContact CG-CB 4.22Å; F473-V480 HydrophobicContact CG-CG2 4.47Å; F473-V480 HydrophobicContact CZ-CB 3.88Å; F473-V480 HydrophobicContact CZ-CG1 3.89Å; F473-V480 HydrophobicContact CZ-CG2 3.63Å; F473-V480 PolarHBondContact N-O 2.72Å; F473-V480 WeakPolarHBondContact O-CA 3.38Å; F473-V480 WeakPolarHBondContact O-CB 3.27Å; F473-V480 PolarHBondContact O-N 2.74Å
481	L	98.3	Very high	94.9	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	145.4	-179	-56.7	-179.1	0	0	0	112.4	V455 T456 S457 T458 R483 I525 A567 Y570 F571	V455-L481 HydrophobicContact CG1-CD1 3.93Å; V455-L481 HydrophobicContact CG1-CG 4.11Å; T456-L481 PolarHBondContact O-N 3.15Å; S457-L481 VanDerWaalsContact CA-O 3.23Å; S457-L481 WeakPolarHBondContact CA-O 3.38Å; S457-L481 WeakPolarHBondContact CB-O 3.08Å; T458-L481 PolarHBondContact N-O 2.94Å; L481-R483 PolarHBondContact O-N 2.93Å; L481-I525 HydrophobicContact CB-CD1 3.4Å; L481-I525 VanDerWaalsContact CB-CD1 3.4Å; L481-I525 HydrophobicContact CD1-CD1 3.51Å; L481-I525 HydrophobicContact CG-CD1 4.1Å; L481-A567 HydrophobicContact CD1-CB 3.83Å; L481-A567 HydrophobicContact CD2-CB 3.92Å; L481-A567 HydrophobicContact CG-CB 4.14Å; L481-Y570 HydrophobicContact CD2-CD1 4.07Å; L481-Y570 HydrophobicContact CD2-CD2 4.32Å; L481-Y570 HydrophobicContact CD2-CG 3.76Å; L481-F571 HydrophobicContact CD2-CE2 3.95Å
482	P	96.9	Very high	94.6	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.039	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	118.6	176.3	29.2	-32.5	0	0	0	111	R470 Q484 Y570	R470-P482 HydrophobicContact CB-CB 3.85Å; P482-Q484 PolarHBondContact O-NE2 3.11Å; P482-Y570 HydrophobicContact CG-CD2 4.49Å; P482-Y570 HydrophobicContact CG-CE2 3.53Å; P482-Y570 WeakPolarHBondContact CG-OH 3.38Å
483	R	95.9	Very high	94.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	145.9	176.9	-150.3	174.8	-174.3	-173.9	-19.5	111.1	D317 D319 V429 H433 S457 T458 E459 R470 L481 I525 M527	D317-R483 IonicContact OD2-CZ 2.99Å; D317-R483 IonicContact OD2-NE 3.71Å; D317-R483 IonicContact OD2-NH2 2.84Å; D319-R483 IonicContact OD1-CZ 3.22Å; D319-R483 IonicContact OD1-NH1 2.66Å; D319-R483 PolarHBondContact OD1-NH1 2.94Å; D319-R483 IonicContact OD1-NH2 3.11Å; D319-R483 PolarHBondContact OD1-NH2 2.96Å; D319-R483 IonicContact OD2-CZ 2.72Å; D319-R483 IonicContact OD2-NH1 3.57Å; D319-R483 PolarHBondContact OD2-NH1 2.64Å; D319-R483 IonicContact OD2-NH2 2.98Å; D319-R483 PolarHBondContact OD2-NH2 2.8Å; V429-R483 VanDerWaalsContact CG1-NH1 3.29Å; H433-R483 PolarHBondContact CE1-NH1 3.47Å; S457-R483 WeakPolarHBondContact OG-CD 3.43Å; T458-R483 PolarHBondContact O-N 2.81Å; E459-R483 HydrophobicContact CB-CB 4.44Å; R470-R483 WeakPolarHBondContact CD-O 3.33Å; R470-R483 PolarHBondContact NH1-O 2.89Å; L481-R483 PolarHBondContact O-N 2.93Å; R483-I525 CarbonylContact C-O 3.31Å; R483-I525 HydrophobicContact CG-CB 4.3Å; R483-I525 HydrophobicContact CG-CG2 3.97Å; R483-I525 WeakPolarHBondContact CG-O 3.13Å; R483-M527 HydrophobicContact CG-CB 4.25Å
484	Q	95.8	Very high	94	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.047	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	145.8	-176.8	-50.8	-48.3	-41.9	0	0	110.9	P482 T517 I525 F526 M527	P482-Q484 PolarHBondContact O-NE2 3.11Å; Q484-T517 HydrophobicContact CB-CG2 4.2Å; Q484-T517 HydrophobicContact CG-CG2 4Å; Q484-I525 PolarHBondContact N-O 2.85Å; Q484-F526 HydrophobicContact CB-CD1 3.82Å; Q484-F526 HydrophobicContact CB-CE1 3.86Å; Q484-M527 PolarHBondContact O-N 3.38Å
485	T	93.4	Very high	93.5	Very high	55 Å²	55	35.8 Å²	35.8	34%	0.337	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	150.4	168.4	50.5	0	0	0	0	109.9	E459	E459-T485 WeakPolarHBondContact OE2-CG2 3.42Å
486	C	93.7	Very high	93.2	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.034	23%	0.227	C	C	.	.			trans	-119.1	8.7	-179.1	61.5	0	0	0	0	114.5	L488 L514 F526 M527 F543	C486-L488 PolarHBondContact O-N 2.84Å; C486-L514 HydrophobicContact CB-CD1 4.11Å; C486-F526 HydrophobicContact CB-CB 4.47Å; C486-F526 HydrophobicContact CB-CD1 3.91Å; C486-F526 HydrophobicContact CB-CG 4.47Å; C486-M527 PolarHBondContact SG-O 3.31Å; C486-F543 HydrophobicContact CB-CZ 4.27Å
487	G	92.1	Very high	93	Very high	23 Å²	23	44 Å²	44	24%	0.237	24%	0.238	C	C	.	.	S	Bend	trans	78.8	-0	-176.8	0	0	0	0	0	114.5	F489 Y498	G487-F489 WeakPolarHBondContact O-CD2 3.37Å; G487-F489 WeakPolarHBondContact O-CE2 3.32Å; G487-Y498 WeakPolarHBondContact O-CE2 3.46Å; G487-Y498 PolarHBondContact O-OH 3.27Å
488	L	93.9	Very high	92.9	Very high	19 Å²	19	41.7 Å²	41.7	10%	0.099	21%	0.21	C	C	.	.			trans	-88.6	140.3	173.6	-60.2	176.7	0	0	0	111.2	C486 L505 T528 N532 L538 T542	C486-L488 PolarHBondContact O-N 2.84Å; L488-L505 HydrophobicContact CD2-CD1 4.18Å; L488-L505 HydrophobicContact CD2-CD2 4.42Å; L488-T528 HydrophobicContact CD1-CG2 4.09Å; L488-N532 HydrophobicContact CD1-CB 4.36Å; L488-L538 HydrophobicContact CD2-CB 3.92Å; L488-T542 HydrophobicContact CD1-CG2 4.48Å
489	F	90.8	Very high	92.5	Very high	101 Å²	101	44.8 Å²	44.8	44%	0.443	23%	0.23	S	C	.	.			trans	-116.7	146.8	-178.4	-54.5	-81.5	0	0	0	110.3	G487 H491 T492 P499 N532	G487-F489 WeakPolarHBondContact O-CD2 3.37Å; G487-F489 WeakPolarHBondContact O-CE2 3.32Å; F489-H491 PolarHBondContact O-N 2.77Å; F489-T492 PolarHBondContact O-N 2.88Å; F489-P499 HydrophobicContact CD2-CG 3.95Å; F489-P499 HydrophobicContact CE2-CG 3.91Å; F489-N532 PolarHBondContact O-ND2 3.24Å
490	T	86.7	Confident	91.9	Very high	45 Å²	45	46.7 Å²	46.7	28%	0.276	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.4	-178.6	48.1	0	0	0	0	113.8	H529 S531	T490-H529 HydrophobicContact CG2-CB 3.92Å; T490-H529 WeakPolarHBondContact CG2-ND1 3.5Å; T490-S531 WeakPolarHBondContact O-CB 3.12Å; T490-S531 PolarHBondContact O-OG 3.37Å
491	H	86.2	Confident	91.5	Very high	165 Å²	165	48 Å²	48	76%	0.764	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-4.5	-178.2	-59.9	-56.5	0	0	0	113.8	F489	F489-H491 PolarHBondContact O-N 2.77Å
492	T	88.3	Confident	91	Very high	16 Å²	16	50 Å²	50	10%	0.098	29%	0.285	C	S	.	.			trans	-103.9	101.8	179.5	-58.9	0	0	0	0	108.3	F489 Y498 L538	F489-T492 PolarHBondContact O-N 2.88Å; T492-Y498 HydrophobicContact CG2-CD2 3.94Å; T492-Y498 HydrophobicContact CG2-CG 4.48Å; T492-L538 HydrophobicContact CG2-CD1 4.01Å; T492-L538 WeakPolarHBondContact O-CD1 3.36Å
493	I	89.6	Confident	90.8	Very high	15 Å²	15	52.6 Å²	52.6	8%	0.077	30%	0.304	C	S	.	.			trans	-120.8	-7.9	-174	68.3	-170.8	0	0	0	113.3	T328 S531 N535 D536	T328-I493 HydrophobicContact CG2-CD1 4Å; I493-S531 VanDerWaalsContact CG2-O 3.29Å; I493-S531 WeakPolarHBondContact CG2-O 3.22Å; I493-N535 WeakPolarHBondContact CD1-ND2 3.49Å; I493-D536 WeakPolarHBondContact O-CB 3.43Å; I493-D536 PolarHBondContact O-N 3.25Å
494	F	92.3	Very high	90.6	Very high	67 Å²	67	55.8 Å²	55.8	29%	0.294	32%	0.319	S	S	.	.	S	Bend	trans	-114.8	140.4	174.6	-60.2	-71.2	0	0	0	110.9	N496 E497 Y498 N535 D536	F494-N496 WeakPolarHBondContact CB-OD1 3.41Å; F494-E497 HydrophobicContact CB-CB 4.2Å; F494-E497 HydrophobicContact CB-CG 4.11Å; F494-E497 WeakPolarHBondContact CD2-OE2 3.43Å; F494-E497 PolarHBondContact O-N 3.28Å; F494-Y498 PolarHBondContact O-N 3.27Å; F494-N535 HydrophobicContact CD1-CB 4.33Å; F494-N535 HydrophobicContact CE1-CB 3.78Å; F494-N535 HydrophobicContact CZ-CB 4.23Å; F494-D536 VanDerWaalsContact CA-OD2 3.3Å; F494-D536 WeakPolarHBondContact CA-OD2 3.46Å
495	Y	88.6	Confident	90.5	Very high	59 Å²	59	55.3 Å²	55.3	23%	0.231	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-67.9	-39.5	-171.9	-174	-121.8	0	0	0	112.7	E497 Y498 S502 L505 D506 D536 L538 Y541	Y495-E497 VanDerWaalsContact C-N 3.26Å; Y495-E497 PolarHBondContact O-N 3.05Å; Y495-Y498 WeakPolarHBondContact O-CB 3.33Å; Y495-Y498 PolarHBondContact O-N 2.92Å; Y495-S502 PolarHBondContact OH-O 3.4Å; Y495-L505 HydrophobicContact CD2-CD2 4.13Å; Y495-L505 HydrophobicContact CE2-CB 4.37Å; Y495-L505 HydrophobicContact CE2-CD2 3.96Å; Y495-D506 VanDerWaalsContact OH-CG 3.22Å; Y495-D506 PolarHBondContact OH-OD1 2.97Å; Y495-D506 PolarHBondContact OH-OD2 2.98Å; Y495-D536 PolarHBondContact N-OD2 3.05Å; Y495-L538 HydrophobicContact CD2-CD2 3.92Å; Y495-L538 HydrophobicContact CG-CD2 4.4Å; Y495-Y541 HydrophobicContact CE2-CD1 4.31Å; Y495-Y541 AromaticContact CE2-CE1 3.85Å; Y495-Y541 HydrophobicContact CE2-CE1 3.85Å; Y495-Y541 PolarHBondContact OH-OH 3.27Å
496	N	89.6	Confident	90.5	Very high	122 Å²	122	54.7 Å²	54.7	65%	0.652	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-71.5	-18.7	177.1	61.6	-13.5	0	0	0	113.4	F494	F494-N496 WeakPolarHBondContact CB-OD1 3.41Å
497	E	90.5	Very high	90.5	Very high	121 Å²	121	59.9 Å²	59.9	57%	0.565	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-95.4	3.8	177.8	-64.4	-177.5	174.2	0	0	112.9	F494 Y495	F494-E497 HydrophobicContact CB-CB 4.2Å; F494-E497 HydrophobicContact CB-CG 4.11Å; F494-E497 WeakPolarHBondContact CD2-OE2 3.43Å; F494-E497 PolarHBondContact O-N 3.28Å; Y495-E497 VanDerWaalsContact C-N 3.26Å; Y495-E497 PolarHBondContact O-N 3.05Å
498	Y	93.1	Very high	90.7	Very high	14 Å²	14	59.8 Å²	59.8	6%	0.055	33%	0.327	C	S	.	.	S	Bend	trans	-56.6	133.5	177.3	-170.3	-91.7	0	0	0	110.8	G487 T492 F494 Y495 G500 G501 E504 L505 I508	G487-Y498 WeakPolarHBondContact O-CE2 3.46Å; G487-Y498 PolarHBondContact O-OH 3.27Å; T492-Y498 HydrophobicContact CG2-CD2 3.94Å; T492-Y498 HydrophobicContact CG2-CG 4.48Å; F494-Y498 PolarHBondContact O-N 3.27Å; Y495-Y498 WeakPolarHBondContact O-CB 3.33Å; Y495-Y498 PolarHBondContact O-N 2.92Å; Y498-G500 PolarHBondContact O-N 3.18Å; Y498-G500 VanDerWaalsContact O-N 3.13Å; Y498-G501 WeakPolarHBondContact CD1-O 3.4Å; Y498-G501 WeakPolarHBondContact O-CA 3.49Å; Y498-G501 PolarHBondContact O-N 3.12Å; Y498-E504 HydrophobicContact CD1-CB 4.08Å; Y498-E504 HydrophobicContact CE1-CB 3.9Å; Y498-E504 HydrophobicContact CE1-CG 4.18Å; Y498-L505 HydrophobicContact CD1-CB 4.03Å; Y498-L505 HydrophobicContact CD2-CB 4.08Å; Y498-L505 HydrophobicContact CD2-CD2 4.16Å; Y498-L505 HydrophobicContact CE1-CB 3.95Å; Y498-L505 HydrophobicContact CE2-CB 4Å; Y498-L505 HydrophobicContact CE2-CD1 3.93Å; Y498-L505 HydrophobicContact CE2-CD2 4.26Å; Y498-L505 HydrophobicContact CE2-CG 4.28Å; Y498-L505 HydrophobicContact CG-CB 4.08Å; Y498-I508 WeakPolarHBondContact OH-CD1 3.45Å
499	P	89.5	Confident	90.8	Very high	65 Å²	65	58.9 Å²	58.9	42%	0.422	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	119.5	179.8	-27.7	35.5	0	0	0	112.2	F489	F489-P499 HydrophobicContact CD2-CG 3.95Å; F489-P499 HydrophobicContact CE2-CG 3.91Å
500	G	86.7	Confident	90.9	Very high	72 Å²	72	57.2 Å²	57.2	74%	0.742	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	2.2	-174.1	0	0	0	0	0	114.9	Y498	Y498-G500 PolarHBondContact O-N 3.18Å; Y498-G500 VanDerWaalsContact O-N 3.13Å
501	G	89.4	Confident	91.2	Very high	27 Å²	27	55.2 Å²	55.2	28%	0.278	31%	0.306	S	S	.	.			trans	90.2	161.4	-179	0	0	0	0	0	113.2	Y498 S503 E504	Y498-G501 WeakPolarHBondContact CD1-O 3.4Å; Y498-G501 WeakPolarHBondContact O-CA 3.49Å; Y498-G501 PolarHBondContact O-N 3.12Å; G501-S503 PolarHBondContact O-N 2.73Å; G501-S503 VanDerWaalsContact O-N 3.16Å; G501-E504 VanDerWaalsContact O-CB 3.29Å; G501-E504 WeakPolarHBondContact O-CB 3.23Å; G501-E504 PolarHBondContact O-N 2.97Å
502	S	89.1	Confident	91.6	Very high	43 Å²	43	48.1 Å²	48.1	30%	0.301	28%	0.277	S	S	.	.	H	α-helix	trans	-50.2	-40.3	-179.9	44.7	0	0	0	0	114.2	Y495 E504 L505 D506	Y495-S502 PolarHBondContact OH-O 3.4Å; S502-E504 PolarHBondContact O-N 3.27Å; S502-L505 WeakPolarHBondContact O-CB 3.31Å; S502-L505 PolarHBondContact O-N 3.23Å; S502-D506 PolarHBondContact O-N 2.85Å
503	S	90.9	Very high	91.8	Very high	60 Å²	60	53.3 Å²	53.3	42%	0.42	30%	0.301	S	S	.	.	H	α-helix	trans	-59.1	-22	178.2	71.3	0	0	0	0	113.8	G501 K507	G501-S503 PolarHBondContact O-N 2.73Å; G501-S503 VanDerWaalsContact O-N 3.16Å; S503-K507 VanDerWaalsContact O-CG 3.28Å; S503-K507 WeakPolarHBondContact O-CG 3.37Å; S503-K507 PolarHBondContact O-N 3.33Å
504	E	93.1	Very high	92.2	Very high	68 Å²	68	52.8 Å²	52.8	32%	0.318	30%	0.298	S	S	.	.	H	α-helix	trans	-75.4	-35.5	178	-164.5	59.7	-153.7	0	0	111.6	Y498 G501 S502 D506 K507 I508	Y498-E504 HydrophobicContact CD1-CB 4.08Å; Y498-E504 HydrophobicContact CE1-CB 3.9Å; Y498-E504 HydrophobicContact CE1-CG 4.18Å; G501-E504 VanDerWaalsContact O-CB 3.29Å; G501-E504 WeakPolarHBondContact O-CB 3.23Å; G501-E504 PolarHBondContact O-N 2.97Å; S502-E504 PolarHBondContact O-N 3.27Å; E504-D506 VanDerWaalsContact C-N 3.34Å; E504-K507 PolarHBondContact O-N 3.45Å; E504-K507 WeakPolarHBondContact OE2-CD 3.29Å; E504-K507 IonicContact OE2-NZ 3.06Å; E504-K507 PolarHBondContact OE2-NZ 3.24Å; E504-I508 PolarHBondContact O-N 3.11Å; E504-I508 VanDerWaalsContact O-N 3.12Å
505	L	93.8	Very high	92.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-44.4	170.9	-177.9	51.4	0	0	0	110.3	L488 Y495 Y498 S502 K507 I508 I509 Y541	L488-L505 HydrophobicContact CD2-CD1 4.18Å; L488-L505 HydrophobicContact CD2-CD2 4.42Å; Y495-L505 HydrophobicContact CD2-CD2 4.13Å; Y495-L505 HydrophobicContact CE2-CB 4.37Å; Y495-L505 HydrophobicContact CE2-CD2 3.96Å; Y498-L505 HydrophobicContact CD1-CB 4.03Å; Y498-L505 HydrophobicContact CD2-CB 4.08Å; Y498-L505 HydrophobicContact CD2-CD2 4.16Å; Y498-L505 HydrophobicContact CE1-CB 3.95Å; Y498-L505 HydrophobicContact CE2-CB 4Å; Y498-L505 HydrophobicContact CE2-CD1 3.93Å; Y498-L505 HydrophobicContact CE2-CD2 4.26Å; Y498-L505 HydrophobicContact CE2-CG 4.28Å; Y498-L505 HydrophobicContact CG-CB 4.08Å; S502-L505 WeakPolarHBondContact O-CB 3.31Å; S502-L505 PolarHBondContact O-N 3.23Å; L505-K507 VanDerWaalsContact C-N 3.32Å; L505-K507 PolarHBondContact O-N 3.5Å; L505-I508 HydrophobicContact CD1-CD1 3.79Å; L505-I508 HydrophobicContact CD1-CG1 4.02Å; L505-I508 WeakPolarHBondContact O-CG1 3.33Å; L505-I508 PolarHBondContact O-N 2.82Å; L505-I509 HydrophobicContact CD1-CD1 3.99Å; L505-I509 HydrophobicContact CD1-CG1 4.45Å; L505-I509 HydrophobicContact CG-CD1 3.98Å; L505-I509 WeakPolarHBondContact O-CD1 3.47Å; L505-I509 VanDerWaalsContact O-CG1 3.29Å; L505-I509 WeakPolarHBondContact O-CG1 3.47Å; L505-I509 PolarHBondContact O-N 3.47Å; L505-Y541 HydrophobicContact CD2-CD1 4.04Å; L505-Y541 HydrophobicContact CD2-CE1 4.35Å; L505-Y541 HydrophobicContact CG-CD1 4.46Å; L505-Y541 HydrophobicContact CG-CE1 4.43Å
506	D	93.7	Very high	92.8	Very high	42 Å²	42	48 Å²	48	23%	0.225	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-40.2	175.3	-71.1	-28.2	0	0	0	112.4	Y495 S502 E504 I509 N510 Y541	Y495-D506 VanDerWaalsContact OH-CG 3.22Å; Y495-D506 PolarHBondContact OH-OD1 2.97Å; Y495-D506 PolarHBondContact OH-OD2 2.98Å; S502-D506 PolarHBondContact O-N 2.85Å; E504-D506 VanDerWaalsContact C-N 3.34Å; D506-I509 PolarHBondContact O-N 2.77Å; D506-N510 VanDerWaalsContact O-CB 3.25Å; D506-N510 WeakPolarHBondContact O-CB 3.36Å; D506-N510 PolarHBondContact O-N 3.02Å; D506-N510 PolarHBondContact O-ND2 3.35Å; D506-Y541 WeakPolarHBondContact OD1-CE1 3.36Å; D506-Y541 PolarHBondContact OD1-OH 3.29Å
507	K	93.7	Very high	93.1	Very high	114 Å²	114	43.2 Å²	43.2	50%	0.496	25%	0.254	S	S	.	.	H	α-helix	trans	-63.7	-41.1	178	-78.1	177.1	-142.3	155	0	112.8	S503 E504 L505 I509 G512	S503-K507 VanDerWaalsContact O-CG 3.28Å; S503-K507 WeakPolarHBondContact O-CG 3.37Å; S503-K507 PolarHBondContact O-N 3.33Å; E504-K507 PolarHBondContact O-N 3.45Å; E504-K507 WeakPolarHBondContact OE2-CD 3.29Å; E504-K507 IonicContact OE2-NZ 3.06Å; E504-K507 PolarHBondContact OE2-NZ 3.24Å; L505-K507 VanDerWaalsContact C-N 3.32Å; L505-K507 PolarHBondContact O-N 3.5Å; K507-I509 VanDerWaalsContact C-N 3.27Å; K507-I509 PolarHBondContact O-N 2.56Å; K507-G512 WeakPolarHBondContact O-CA 3.28Å; K507-G512 PolarHBondContact O-N 2.86Å
508	I	94.8	Very high	93.4	Very high	20 Å²	20	37.4 Å²	37.4	10%	0.103	23%	0.227	C	C	.	.	H	α-helix	trans	-68.7	-29.9	179.3	63.4	165	0	0	0	111.9	Y498 E504 L505 G512 E513 L514	Y498-I508 WeakPolarHBondContact OH-CD1 3.45Å; E504-I508 PolarHBondContact O-N 3.11Å; E504-I508 VanDerWaalsContact O-N 3.12Å; L505-I508 HydrophobicContact CD1-CD1 3.79Å; L505-I508 HydrophobicContact CD1-CG1 4.02Å; L505-I508 WeakPolarHBondContact O-CG1 3.33Å; L505-I508 PolarHBondContact O-N 2.82Å; I508-G512 CarbonylContact O-C 3.01Å; I508-G512 VanDerWaalsContact O-C 3.27Å; I508-G512 WeakPolarHBondContact O-CA 3.17Å; I508-E513 PolarHBondContact O-N 3.41Å; I508-L514 WeakPolarHBondContact O-CB 3.4Å; I508-L514 PolarHBondContact O-N 3.5Å
509	I	96.3	Very high	93.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-77.3	-50.3	177.2	-64.4	163.3	0	0	0	111.2	L505 D506 K507 G511 L514 F515 Y541 T542 H545 L546	L505-I509 HydrophobicContact CD1-CD1 3.99Å; L505-I509 HydrophobicContact CD1-CG1 4.45Å; L505-I509 HydrophobicContact CG-CD1 3.98Å; L505-I509 WeakPolarHBondContact O-CD1 3.47Å; L505-I509 VanDerWaalsContact O-CG1 3.29Å; L505-I509 WeakPolarHBondContact O-CG1 3.47Å; L505-I509 PolarHBondContact O-N 3.47Å; D506-I509 PolarHBondContact O-N 2.77Å; K507-I509 VanDerWaalsContact C-N 3.27Å; K507-I509 PolarHBondContact O-N 2.56Å; I509-G511 PolarHBondContact O-N 2.72Å; I509-G511 VanDerWaalsContact O-N 3.13Å; I509-L514 HydrophobicContact CG1-CD2 4.29Å; I509-F515 WeakPolarHBondContact O-CB 3.37Å; I509-Y541 HydrophobicContact CD1-CD1 4.25Å; I509-Y541 HydrophobicContact CD1-CE1 4.05Å; I509-T542 HydrophobicContact CD1-CG2 4.16Å; I509-T542 HydrophobicContact CG1-CG2 4.13Å; I509-H545 HydrophobicContact CD1-CB 4.46Å; I509-H545 HydrophobicContact CG2-CB 3.88Å; I509-L546 HydrophobicContact CG2-CB 4.18Å
510	N	94	Very high	93.9	Very high	66 Å²	66	34.2 Å²	34.2	35%	0.353	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	82.1	-171.1	-61.4	-32.5	0	0	0	110.6	D506 G512 F549	D506-N510 VanDerWaalsContact O-CB 3.25Å; D506-N510 WeakPolarHBondContact O-CB 3.36Å; D506-N510 PolarHBondContact O-N 3.02Å; D506-N510 PolarHBondContact O-ND2 3.35Å; N510-G512 PolarHBondContact O-N 3.33Å; N510-F549 HydrophobicContact CB-CD2 4.09Å; N510-F549 HydrophobicContact CB-CE2 3.87Å; N510-F549 HydrophobicContact CB-CZ 4.38Å; N510-F549 WeakPolarHBondContact OD1-CD2 3.29Å
511	G	91.8	Very high	94.3	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.031	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	-2	178.6	0	0	0	0	0	114.9	W288 I509 F549	W288-G511 VanDerWaalsContact CB-O 3.29Å; W288-G511 WeakPolarHBondContact CB-O 3.33Å; I509-G511 PolarHBondContact O-N 2.72Å; I509-G511 VanDerWaalsContact O-N 3.13Å; G511-F549 VanDerWaalsContact N-CE1 3.25Å
512	G	94.7	Very high	94.6	Very high	16 Å²	16	30.8 Å²	30.8	17%	0.165	17%	0.166	C	C	.	.	S	Bend	trans	-84.3	-156.1	178.4	0	0	0	0	0	115	K507 I508 N510 L514 F515 L516	K507-G512 WeakPolarHBondContact O-CA 3.28Å; K507-G512 PolarHBondContact O-N 2.86Å; I508-G512 CarbonylContact O-C 3.01Å; I508-G512 VanDerWaalsContact O-C 3.27Å; I508-G512 WeakPolarHBondContact O-CA 3.17Å; N510-G512 PolarHBondContact O-N 3.33Å; G512-L514 PolarHBondContact O-N 2.98Å; G512-F515 PolarHBondContact O-N 2.84Å; G512-L516 VanDerWaalsContact O-CG 3.28Å; G512-L516 WeakPolarHBondContact O-CG 3.45Å; G512-L516 PolarHBondContact O-N 3.26Å
513	E	93.8	Very high	95	Very high	125 Å²	125	29.1 Å²	29.1	58%	0.584	15%	0.154	S	C	*	.	H	α-helix	trans	-61.2	-38.7	-170	-172.2	176.5	-173.6	0	0	113.6	I508 L516 T517	I508-E513 PolarHBondContact O-N 3.41Å; E513-L516 PolarHBondContact O-N 2.79Å; E513-T517 WeakPolarHBondContact O-CB 3.13Å; E513-T517 PolarHBondContact O-N 2.96Å; E513-T517 PolarHBondContact O-OG1 3.16Å
514	L	96.3	Very high	95.3	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.026	13%	0.134	C	C	.	.	H	α-helix	trans	-69.8	-42.7	-179.3	-177.5	57.3	0	0	0	111.2	C486 I508 I509 G512 T517 V518 F526 T542 L546	C486-L514 HydrophobicContact CB-CD1 4.11Å; I508-L514 WeakPolarHBondContact O-CB 3.4Å; I508-L514 PolarHBondContact O-N 3.5Å; I509-L514 HydrophobicContact CG1-CD2 4.29Å; G512-L514 PolarHBondContact O-N 2.98Å; L514-T517 WeakPolarHBondContact O-CB 3.17Å; L514-T517 PolarHBondContact O-N 3.4Å; L514-V518 PolarHBondContact O-N 2.91Å; L514-F526 HydrophobicContact CD1-CD1 3.95Å; L514-F526 HydrophobicContact CD1-CE1 3.27Å; L514-F526 HydrophobicContact CD1-CZ 3.61Å; L514-T542 HydrophobicContact CD2-CG2 3.38Å; L514-L546 HydrophobicContact CD1-CD2 4.12Å; L514-L546 HydrophobicContact CD2-CD1 4.41Å; L514-L546 HydrophobicContact CD2-CD2 3.87Å; L514-L546 HydrophobicContact CD2-CG 4.48Å; L514-L546 HydrophobicContact CG-CD1 3.97Å; L514-L546 HydrophobicContact CG-CD2 3.69Å; L514-L546 HydrophobicContact CG-CG 4.36Å
515	F	97.1	Very high	95.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.1	-49	171	167.8	-99.5	0	0	0	111.6	W288 L292 I509 G512 T517 V518 L519 L546 F549 L550 T554	W288-F515 HydrophobicContact CE3-CE1 4.39Å; L292-F515 HydrophobicContact CD1-CZ 4.23Å; L292-F515 HydrophobicContact CD2-CZ 4.31Å; I509-F515 WeakPolarHBondContact O-CB 3.37Å; G512-F515 PolarHBondContact O-N 2.84Å; F515-T517 VanDerWaalsContact C-N 3.27Å; F515-T517 PolarHBondContact O-N 3.03Å; F515-V518 PolarHBondContact O-N 2.74Å; F515-L519 HydrophobicContact CE1-CD2 4.05Å; F515-L519 HydrophobicContact CZ-CD2 4.44Å; F515-L519 WeakPolarHBondContact O-CB 3.37Å; F515-L519 PolarHBondContact O-N 3.1Å; F515-L546 HydrophobicContact CB-CD1 4.34Å; F515-F549 AromaticContact CD2-CD1 3.63Å; F515-F549 HydrophobicContact CD2-CD1 3.63Å; F515-F549 AromaticContact CD2-CE1 3.83Å; F515-F549 HydrophobicContact CD2-CE1 3.83Å; F515-F549 AromaticContact CE2-CD1 3.95Å; F515-F549 HydrophobicContact CE2-CD1 3.95Å; F515-F549 AromaticContact CE2-CE1 3.94Å; F515-F549 HydrophobicContact CE2-CE1 3.94Å; F515-F549 HydrophobicContact CG-CD1 4.27Å; F515-F549 HydrophobicContact CG-CE1 4.19Å; F515-F549 HydrophobicContact CZ-CE1 4.41Å; F515-L550 HydrophobicContact CD2-CD2 3.56Å; F515-L550 HydrophobicContact CD2-CG 4.16Å; F515-L550 HydrophobicContact CE2-CD2 3.66Å; F515-L550 HydrophobicContact CE2-CG 4.49Å; F515-T554 HydrophobicContact CE2-CG2 3.87Å; F515-T554 HydrophobicContact CZ-CG2 4.05Å
516	L	96.3	Very high	95.7	Very high	26 Å²	26	23.1 Å²	23.1	14%	0.136	12%	0.119	C	C	.	.	H	α-helix	trans	-63.4	-33.8	179.9	-69.4	172.3	0	0	0	112.4	K291 G512 E513 V518 L519 L520	K291-L516 HydrophobicContact CB-CD2 3.97Å; K291-L516 HydrophobicContact CD-CD1 3.51Å; K291-L516 HydrophobicContact CD-CD2 3.79Å; K291-L516 HydrophobicContact CD-CG 4.25Å; G512-L516 VanDerWaalsContact O-CG 3.28Å; G512-L516 WeakPolarHBondContact O-CG 3.45Å; G512-L516 PolarHBondContact O-N 3.26Å; E513-L516 PolarHBondContact O-N 2.79Å; L516-V518 PolarHBondContact O-N 3.37Å; L516-L519 HydrophobicContact CD2-CD2 3.93Å; L516-L519 PolarHBondContact O-N 2.99Å; L516-L520 WeakPolarHBondContact O-CB 3.33Å; L516-L520 VanDerWaalsContact O-CG 3.3Å; L516-L520 WeakPolarHBondContact O-CG 3.45Å; L516-L520 PolarHBondContact O-N 3.04Å
517	T	95.9	Very high	95.8	Very high	20 Å²	20	22.4 Å²	22.4	12%	0.123	12%	0.115	C	C	.	.	H	α-helix	trans	-59.2	-48.3	175.3	-63	0	0	0	0	110.5	Q484 E513 L514 F515 N521 F526	Q484-T517 HydrophobicContact CB-CG2 4.2Å; Q484-T517 HydrophobicContact CG-CG2 4Å; E513-T517 WeakPolarHBondContact O-CB 3.13Å; E513-T517 PolarHBondContact O-N 2.96Å; E513-T517 PolarHBondContact O-OG1 3.16Å; L514-T517 WeakPolarHBondContact O-CB 3.17Å; L514-T517 PolarHBondContact O-N 3.4Å; F515-T517 VanDerWaalsContact C-N 3.27Å; F515-T517 PolarHBondContact O-N 3.03Å; T517-N521 VanDerWaalsContact O-CB 3.27Å; T517-N521 WeakPolarHBondContact O-CB 3.39Å; T517-N521 PolarHBondContact O-N 3.25Å; T517-N521 PolarHBondContact O-ND2 2.95Å; T517-F526 HydrophobicContact CG2-CE1 3.94Å; T517-F526 HydrophobicContact CG2-CZ 4.07Å
518	V	97.4	Very high	96	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-69.6	-37.3	176	-177.5	0	0	0	0	111.4	R312 I314 L514 F515 L516 L520 F526 L546 L550 L558	R312-V518 HydrophobicContact CB-CG1 4.24Å; R312-V518 WeakPolarHBondContact CD-O 3.35Å; R312-V518 HydrophobicContact CG-CG1 4.06Å; R312-V518 PolarHBondContact NE-O 3.34Å; I314-V518 HydrophobicContact CD1-CG1 4.14Å; I314-V518 HydrophobicContact CD1-CG2 4.34Å; L514-V518 PolarHBondContact O-N 2.91Å; F515-V518 PolarHBondContact O-N 2.74Å; L516-V518 PolarHBondContact O-N 3.37Å; V518-L520 VanDerWaalsContact C-N 3.32Å; V518-L520 PolarHBondContact O-N 3.18Å; V518-F526 HydrophobicContact CG2-CE2 4.04Å; V518-F526 HydrophobicContact CG2-CZ 3.79Å; V518-L546 HydrophobicContact CG2-CD2 4.16Å; V518-L550 HydrophobicContact CB-CD1 4.05Å; V518-L550 HydrophobicContact CB-CD2 4.21Å; V518-L550 HydrophobicContact CG1-CD1 3.73Å; V518-L550 HydrophobicContact CG1-CD2 4.08Å; V518-L550 HydrophobicContact CG2-CD1 4.24Å; V518-L558 HydrophobicContact CG1-CD2 4.27Å
519	L	96.7	Very high	96.1	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-58.5	-44.9	178.2	-179.5	63.2	0	0	0	111.9	V209 L292 V295 R312 F515 L516 L556	V209-L519 HydrophobicContact CG1-CD1 3.55Å; L292-L519 HydrophobicContact CD1-CD1 3.57Å; L292-L519 HydrophobicContact CD1-CD2 3.9Å; L292-L519 HydrophobicContact CD1-CG 4.41Å; V295-L519 HydrophobicContact CG2-CD2 4.17Å; R312-L519 PolarHBondContact NE-O 3.32Å; R312-L519 PolarHBondContact NH2-O 3.49Å; F515-L519 HydrophobicContact CE1-CD2 4.05Å; F515-L519 HydrophobicContact CZ-CD2 4.44Å; F515-L519 WeakPolarHBondContact O-CB 3.37Å; F515-L519 PolarHBondContact O-N 3.1Å; L516-L519 HydrophobicContact CD2-CD2 3.93Å; L516-L519 PolarHBondContact O-N 2.99Å; L519-L556 HydrophobicContact CD1-CD1 4.32Å
520	L	96.4	Very high	96.2	Very high	10 Å²	10	17.4 Å²	17.4	5%	0.052	9%	0.093	C	C	.	.	H	α-helix	trans	-98.1	-10.7	-168.6	-57.7	176.3	0	0	0	114.2	I103 V295 L308 L516 V518	I103-L520 HydrophobicContact CG1-CD1 4.25Å; I103-L520 HydrophobicContact CG2-CD1 4.33Å; I103-L520 HydrophobicContact CG2-CD2 3.88Å; V295-L520 HydrophobicContact CG2-CD2 3.72Å; L308-L520 VanDerWaalsContact CD1-O 3.25Å; L308-L520 WeakPolarHBondContact CD1-O 3.36Å; L516-L520 WeakPolarHBondContact O-CB 3.33Å; L516-L520 VanDerWaalsContact O-CG 3.3Å; L516-L520 WeakPolarHBondContact O-CG 3.45Å; L516-L520 PolarHBondContact O-N 3.04Å; V518-L520 VanDerWaalsContact C-N 3.32Å; V518-L520 PolarHBondContact O-N 3.18Å
521	N	95.3	Very high	96.3	Very high	21 Å²	21	14.8 Å²	14.8	11%	0.112	8%	0.08	C	C	.	.			trans	-115.9	118.3	178.3	-63.6	-82	0	0	0	111.1	R312 T517 I523	R312-N521 WeakPolarHBondContact CD-O 3.46Å; T517-N521 VanDerWaalsContact O-CB 3.27Å; T517-N521 WeakPolarHBondContact O-CB 3.39Å; T517-N521 PolarHBondContact O-N 3.25Å; T517-N521 PolarHBondContact O-ND2 2.95Å; N521-I523 PolarHBondContact O-N 3.31Å
522	P	96.3	Very high	96.5	Very high	6 Å²	6	14.7 Å²	14.7	4%	0.039	8%	0.078	C	C	.	.	S	Bend	trans	-57.9	-28.1	173.9	-27.5	36.3	0	0	0	114	L308 R312 Y313 I573 F574	L308-P522 HydrophobicContact CD2-CG 4.14Å; R312-P522 WeakPolarHBondContact CA-O 3.45Å; Y313-P522 PolarHBondContact N-O 3.15Å; P522-I573 HydrophobicContact CB-CD1 4.38Å; P522-F574 HydrophobicContact CG-CZ 4.11Å
523	I	97.1	Very high	96.6	Very high	8 Å²	8	13.9 Å²	13.9	4%	0.041	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.1	178.4	-62.3	178.5	0	0	0	108.2	Y313 N521 L566 K569 Y570 I573	Y313-I523 HydrophobicContact CD2-CG1 4.01Å; Y313-I523 HydrophobicContact CG-CG1 4.4Å; Y313-I523 CarbonylContact O-C 3.3Å; Y313-I523 WeakPolarHBondContact O-CA 3.44Å; N521-I523 PolarHBondContact O-N 3.31Å; I523-L566 HydrophobicContact CD1-CD1 4.22Å; I523-L566 HydrophobicContact CG1-CD1 4.31Å; I523-L566 HydrophobicContact CG2-CD1 3.8Å; I523-L566 HydrophobicContact CG2-CD2 4.16Å; I523-L566 HydrophobicContact CG2-CG 4Å; I523-K569 HydrophobicContact CD1-CB 4.42Å; I523-K569 HydrophobicContact CD1-CG 4.31Å; I523-Y570 HydrophobicContact CB-CD2 4.28Å; I523-Y570 VanDerWaalsContact CD1-CA 3.44Å; I523-Y570 HydrophobicContact CD1-CD2 3.92Å; I523-Y570 HydrophobicContact CD1-CG 4.29Å; I523-Y570 HydrophobicContact CG2-CD2 4.38Å; I523-I573 HydrophobicContact CD1-CD1 4.15Å; I523-I573 HydrophobicContact CG1-CD1 4.46Å
524	S	97	Very high	96.6	Very high	1 Å²	1	8 Å²	8	1%	0.007	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	121.6	177.3	-64.7	0	0	0	0	110.3	Y313 I314 L315	Y313-S524 PolarHBondContact O-N 3.07Å; I314-S524 WeakPolarHBondContact CA-O 3.4Å; L315-S524 PolarHBondContact N-O 3.32Å
525	I	97.9	Very high	96.5	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	109.4	174.3	-55.7	162.8	0	0	0	106.5	L315 L481 R483 Q484 L566	L315-I525 HydrophobicContact CB-CG1 4.25Å; L315-I525 HydrophobicContact CB-CG2 4.3Å; L315-I525 HydrophobicContact CD2-CG1 4.38Å; L315-I525 HydrophobicContact CD2-CG2 3.99Å; L315-I525 HydrophobicContact CG-CG2 4.29Å; L315-I525 CarbonylContact O-C 3.58Å; L315-I525 WeakPolarHBondContact O-CA 3.46Å; L481-I525 HydrophobicContact CB-CD1 3.4Å; L481-I525 VanDerWaalsContact CB-CD1 3.4Å; L481-I525 HydrophobicContact CD1-CD1 3.51Å; L481-I525 HydrophobicContact CG-CD1 4.1Å; R483-I525 CarbonylContact C-O 3.31Å; R483-I525 HydrophobicContact CG-CB 4.3Å; R483-I525 HydrophobicContact CG-CG2 3.97Å; R483-I525 WeakPolarHBondContact CG-O 3.13Å; Q484-I525 PolarHBondContact N-O 2.85Å; I525-L566 HydrophobicContact CD1-CD2 4.27Å; I525-L566 HydrophobicContact CG1-CD2 3.92Å
526	F	98	Very high	96.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	133.5	-177.1	-67.2	-73.4	0	0	0	111.1	I314 L315 D317 Q484 C486 L514 T517 V518 F543	I314-F526 HydrophobicContact CG2-CD2 4.08Å; I314-F526 HydrophobicContact CG2-CE2 4.15Å; L315-F526 PolarHBondContact O-N 2.79Å; D317-F526 PolarHBondContact N-O 2.82Å; Q484-F526 HydrophobicContact CB-CD1 3.82Å; Q484-F526 HydrophobicContact CB-CE1 3.86Å; C486-F526 HydrophobicContact CB-CB 4.47Å; C486-F526 HydrophobicContact CB-CD1 3.91Å; C486-F526 HydrophobicContact CB-CG 4.47Å; L514-F526 HydrophobicContact CD1-CD1 3.95Å; L514-F526 HydrophobicContact CD1-CE1 3.27Å; L514-F526 HydrophobicContact CD1-CZ 3.61Å; T517-F526 HydrophobicContact CG2-CE1 3.94Å; T517-F526 HydrophobicContact CG2-CZ 4.07Å; V518-F526 HydrophobicContact CG2-CE2 4.04Å; V518-F526 HydrophobicContact CG2-CZ 3.79Å; F526-F543 HydrophobicContact CB-CE1 4.06Å; F526-F543 HydrophobicContact CB-CZ 3.68Å; F526-F543 AromaticContact CD2-CE1 3.66Å; F526-F543 HydrophobicContact CD2-CE1 3.66Å; F526-F543 HydrophobicContact CD2-CZ 4.19Å; F526-F543 HydrophobicContact CE2-CE1 4.26Å; F526-F543 AromaticContact CG-CE1 3.86Å; F526-F543 HydrophobicContact CG-CE1 3.86Å; F526-F543 AromaticContact CG-CZ 3.97Å; F526-F543 HydrophobicContact CG-CZ 3.97Å
527	M	95.9	Very high	96.4	Very high	28 Å²	28	15.5 Å²	15.5	14%	0.138	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	124.5	168.8	-177.2	176.4	65.1	0	0	110.4	H433 R483 Q484 C486	H433-M527 PolarHBondContact NE2-SD 3.28Å; R483-M527 HydrophobicContact CG-CB 4.25Å; Q484-M527 PolarHBondContact O-N 3.38Å; C486-M527 PolarHBondContact SG-O 3.31Å
528	T	97.6	Very high	96.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	171.4	166.2	55.6	0	0	0	0	109.3	V316 D317 D319 L488 Y533 F543	V316-T528 HydrophobicContact CG1-CG2 4.36Å; D317-T528 PolarHBondContact O-N 2.95Å; D317-T528 PolarHBondContact O-OG1 3.09Å; D319-T528 PolarHBondContact N-O 3.5Å; L488-T528 HydrophobicContact CD1-CG2 4.09Å; T528-Y533 HydrophobicContact CG2-CE2 4.48Å; T528-Y533 WeakPolarHBondContact OG1-CE2 2.83Å; T528-Y533 PolarHBondContact OG1-OH 3.45Å; T528-F543 HydrophobicContact CG2-CE2 3.76Å; T528-F543 HydrophobicContact CG2-CZ 4.2Å
529	H	97.6	Very high	96.4	Very high	28 Å²	28	14.6 Å²	14.6	13%	0.13	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	158.2	180	-55.2	77.3	0	0	0	110.2	D319 D320 T490 S531 N532 Y533	D319-H529 CarbonylContact O-C 3.3Å; D319-H529 WeakPolarHBondContact O-CA 3.41Å; D320-H529 IonicContact OD2-CD2 2.73Å; D320-H529 PolarHBondContact OD2-CD2 3.5Å; T490-H529 HydrophobicContact CG2-CB 3.92Å; T490-H529 WeakPolarHBondContact CG2-ND1 3.5Å; H529-S531 PolarHBondContact O-N 3.17Å; H529-S531 VanDerWaalsContact O-N 3.08Å; H529-N532 PolarHBondContact N-OD1 2.86Å; H529-N532 VanDerWaalsContact O-CB 3.31Å; H529-N532 WeakPolarHBondContact O-CB 3.31Å; H529-N532 PolarHBondContact O-N 3.25Å; H529-N532 PolarHBondContact O-OD1 3.28Å; H529-Y533 WeakPolarHBondContact O-CD2 2.92Å
530	L	97.1	Very high	96.5	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-45.2	-42.5	178.4	171.1	144.5	0	0	0	113.2	D319 D320 I321 R329 M330 N532 Y533 G534	D319-L530 PolarHBondContact O-N 3.31Å; D320-L530 WeakPolarHBondContact O-CB 3.27Å; I321-L530 HydrophobicContact CD1-CB 4.2Å; I321-L530 HydrophobicContact CD1-CD1 4.08Å; R329-L530 HydrophobicContact CB-CD2 4.22Å; R329-L530 HydrophobicContact CG-CD2 4.47Å; M330-L530 HydrophobicContact CE-CD1 4.06Å; M330-L530 HydrophobicContact CE-CG 4.22Å; M330-L530 HydrophobicContact CG-CG 4.45Å; L530-N532 PolarHBondContact O-N 3.05Å; L530-N532 VanDerWaalsContact O-N 3.17Å; L530-Y533 PolarHBondContact O-N 3.33Å; L530-G534 PolarHBondContact O-N 2.92Å
531	S	95.4	Very high	96.5	Very high	10 Å²	10	17.5 Å²	17.5	7%	0.07	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-63.5	-22.7	-178.6	61.6	0	0	0	0	113.9	T328 T490 I493 H529 Y533	T328-S531 WeakPolarHBondContact O-CA 3.47Å; T490-S531 WeakPolarHBondContact O-CB 3.12Å; T490-S531 PolarHBondContact O-OG 3.37Å; I493-S531 VanDerWaalsContact CG2-O 3.29Å; I493-S531 WeakPolarHBondContact CG2-O 3.22Å; H529-S531 PolarHBondContact O-N 3.17Å; H529-S531 VanDerWaalsContact O-N 3.08Å; S531-Y533 PolarHBondContact O-N 3.04Å
532	N	96.6	Very high	96.6	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-71.3	-12.9	175.4	-56.9	138.1	0	0	0	113.1	L488 F489 H529 L530 R537 L538 G539	L488-N532 HydrophobicContact CD1-CB 4.36Å; F489-N532 PolarHBondContact O-ND2 3.24Å; H529-N532 PolarHBondContact N-OD1 2.86Å; H529-N532 VanDerWaalsContact O-CB 3.31Å; H529-N532 WeakPolarHBondContact O-CB 3.31Å; H529-N532 PolarHBondContact O-N 3.25Å; H529-N532 PolarHBondContact O-OD1 3.28Å; L530-N532 PolarHBondContact O-N 3.05Å; L530-N532 VanDerWaalsContact O-N 3.17Å; N532-R537 CarbonylContact O-C 3.54Å; N532-R537 VanDerWaalsContact O-C 3.3Å; N532-L538 PolarHBondContact O-N 3.49Å; N532-G539 PolarHBondContact O-N 3.04Å
533	Y	97.5	Very high	96.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-111	-6.4	-177.7	-60.1	-91.9	0	0	0	112.7	V316 I318 D334 L338 F354 T528 H529 L530 S531 R537 L540	V316-Y533 WeakPolarHBondContact CG1-OH 3.5Å; I318-Y533 HydrophobicContact CB-CE2 4.14Å; I318-Y533 HydrophobicContact CD1-CD1 4.21Å; I318-Y533 HydrophobicContact CD1-CD2 3.93Å; I318-Y533 HydrophobicContact CD1-CE1 3.83Å; I318-Y533 HydrophobicContact CD1-CE2 3.54Å; I318-Y533 HydrophobicContact CD1-CG 4.26Å; I318-Y533 VanDerWaalsContact CD1-CZ 3.48Å; I318-Y533 HydrophobicContact CG1-CD2 4.26Å; I318-Y533 HydrophobicContact CG1-CE1 4.48Å; I318-Y533 HydrophobicContact CG1-CE2 3.53Å; I318-Y533 HydrophobicContact CG2-CD2 3.74Å; I318-Y533 HydrophobicContact CG2-CE2 3.65Å; D334-Y533 WeakPolarHBondContact CB-O 2.93Å; L338-Y533 HydrophobicContact CD1-CD1 3.73Å; L338-Y533 HydrophobicContact CD1-CE1 3.97Å; F354-Y533 HydrophobicContact CE1-CE1 4.06Å; F354-Y533 HydrophobicContact CZ-CE1 4.32Å; T528-Y533 HydrophobicContact CG2-CE2 4.48Å; T528-Y533 WeakPolarHBondContact OG1-CE2 2.83Å; T528-Y533 PolarHBondContact OG1-OH 3.45Å; H529-Y533 WeakPolarHBondContact O-CD2 2.92Å; L530-Y533 PolarHBondContact O-N 3.33Å; S531-Y533 PolarHBondContact O-N 3.04Å; Y533-R537 WeakPolarHBondContact O-CG 3.13Å; Y533-L540 HydrophobicContact CD1-CD2 3.53Å; Y533-L540 HydrophobicContact CD1-CG 3.86Å; Y533-L540 HydrophobicContact CE1-CD2 3.7Å; Y533-L540 HydrophobicContact CE1-CG 4.35Å
534	G	93.6	Very high	96.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-85	168.8	166.7	0	0	0	0	0	112.2	L530 D536 R537	L530-G534 PolarHBondContact O-N 2.92Å; G534-D536 PolarHBondContact O-N 3.38Å; G534-R537 PolarHBondContact O-N 3Å
535	N	93.3	Very high	96.8	Very high	39 Å²	39	21.9 Å²	21.9	21%	0.209	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	-113.1	174.6	-60.1	-71.8	0	0	0	113.1	G327 I493 F494 R537	G327-N535 PolarHBondContact O-ND2 3.4Å; I493-N535 WeakPolarHBondContact CD1-ND2 3.49Å; F494-N535 HydrophobicContact CD1-CB 4.33Å; F494-N535 HydrophobicContact CE1-CB 3.78Å; F494-N535 HydrophobicContact CZ-CB 4.23Å; N535-R537 PolarHBondContact O-N 2Å
536	D	95.3	Very high	96.8	Very high	79 Å²	79	21.9 Å²	21.9	42%	0.422	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-1.6	-178.7	-72.4	0.3	0	0	0	113.4	I493 F494 Y495 G534 L538	I493-D536 WeakPolarHBondContact O-CB 3.43Å; I493-D536 PolarHBondContact O-N 3.25Å; F494-D536 VanDerWaalsContact CA-OD2 3.3Å; F494-D536 WeakPolarHBondContact CA-OD2 3.46Å; Y495-D536 PolarHBondContact N-OD2 3.05Å; G534-D536 PolarHBondContact O-N 3.38Å; D536-L538 VanDerWaalsContact C-N 3.35Å; D536-L538 HydrophobicContact CB-CD2 4Å; D536-L538 PolarHBondContact O-N 3.15Å
537	R	96.5	Very high	96.8	Very high	71 Å²	71	22.1 Å²	22.1	27%	0.268	10%	0.103	S	C	.	.			trans	55.4	45.3	172.8	-57.9	154.9	-172.4	179	3.6	113.2	E333 D334 A337 N532 Y533 G534 N535 G539 L540 Y541	E333-R537 VanDerWaalsContact CG-NH2 3.3Å; E333-R537 PolarHBondContact O-NH2 2.91Å; D334-R537 IonicContact OD1-CZ 3.52Å; D334-R537 VanDerWaalsContact OD1-CZ 3.24Å; D334-R537 IonicContact OD1-NE 2.98Å; D334-R537 PolarHBondContact OD1-NE 3.4Å; D334-R537 IonicContact OD1-NH2 3.27Å; D334-R537 PolarHBondContact OD1-NH2 3.01Å; A337-R537 VanDerWaalsContact CB-NH1 3.31Å; N532-R537 CarbonylContact O-C 3.54Å; N532-R537 VanDerWaalsContact O-C 3.3Å; Y533-R537 WeakPolarHBondContact O-CG 3.13Å; G534-R537 PolarHBondContact O-N 3Å; N535-R537 PolarHBondContact O-N 2Å; R537-G539 PolarHBondContact O-N 3.07Å; R537-G539 VanDerWaalsContact O-N 3.07Å; R537-L540 HydrophobicContact CB-CB 4.16Å; R537-L540 HydrophobicContact CB-CD1 3.93Å; R537-L540 HydrophobicContact CB-CG 4.07Å; R537-L540 HydrophobicContact CG-CD1 4.16Å; R537-L540 WeakPolarHBondContact O-CB 3.35Å; R537-L540 PolarHBondContact O-N 3.26Å; R537-Y541 PolarHBondContact O-N 2.82Å; R537-Y541 VanDerWaalsContact O-N 3.1Å
538	L	96.5	Very high	96.8	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-55	-31.2	-176.9	-57.4	-171.5	0	0	0	113.4	L488 T492 Y495 N532 D536 T542	L488-L538 HydrophobicContact CD2-CB 3.92Å; T492-L538 HydrophobicContact CG2-CD1 4.01Å; T492-L538 WeakPolarHBondContact O-CD1 3.36Å; Y495-L538 HydrophobicContact CD2-CD2 3.92Å; Y495-L538 HydrophobicContact CG-CD2 4.4Å; N532-L538 PolarHBondContact O-N 3.49Å; D536-L538 VanDerWaalsContact C-N 3.35Å; D536-L538 HydrophobicContact CB-CD2 4Å; D536-L538 PolarHBondContact O-N 3.15Å; L538-T542 VanDerWaalsContact O-CB 3.27Å; L538-T542 WeakPolarHBondContact O-CB 3.41Å; L538-T542 PolarHBondContact O-N 2.95Å; L538-T542 PolarHBondContact O-OG1 2.84Å
539	G	97.4	Very high	96.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.7	-48.3	172.3	0	0	0	0	0	112.8	N532 R537 T542 F543	N532-G539 PolarHBondContact O-N 3.04Å; R537-G539 PolarHBondContact O-N 3.07Å; R537-G539 VanDerWaalsContact O-N 3.07Å; G539-T542 PolarHBondContact O-N 3.39Å; G539-F543 VanDerWaalsContact O-CD2 3.26Å; G539-F543 WeakPolarHBondContact O-CD2 3.44Å; G539-F543 PolarHBondContact O-N 2.95Å
540	L	98	Very high	96.7	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.052	12%	0.12	C	C	.	.	H	α-helix	trans	-64.6	-46.3	178.6	-57.4	-174.2	0	0	0	111.2	A337 L338 T341 F354 Y533 R537 T542 K544	A337-L540 HydrophobicContact CB-CD1 3.86Å; L338-L540 HydrophobicContact CD1-CD2 3.82Å; T341-L540 HydrophobicContact CG2-CB 4.27Å; T341-L540 HydrophobicContact CG2-CD2 4.03Å; F354-L540 HydrophobicContact CE2-CD2 4.33Å; F354-L540 HydrophobicContact CZ-CD2 4.08Å; Y533-L540 HydrophobicContact CD1-CD2 3.53Å; Y533-L540 HydrophobicContact CD1-CG 3.86Å; Y533-L540 HydrophobicContact CE1-CD2 3.7Å; Y533-L540 HydrophobicContact CE1-CG 4.35Å; R537-L540 HydrophobicContact CB-CB 4.16Å; R537-L540 HydrophobicContact CB-CD1 3.93Å; R537-L540 HydrophobicContact CB-CG 4.07Å; R537-L540 HydrophobicContact CG-CD1 4.16Å; R537-L540 WeakPolarHBondContact O-CB 3.35Å; R537-L540 PolarHBondContact O-N 3.26Å; L540-T542 VanDerWaalsContact C-N 3.34Å; L540-T542 PolarHBondContact O-N 3.1Å; L540-K544 WeakPolarHBondContact O-CB 3.45Å; L540-K544 PolarHBondContact O-N 2.86Å
541	Y	97.1	Very high	96.6	Very high	62 Å²	62	31.6 Å²	31.6	24%	0.243	14%	0.14	C	C	.	.	H	α-helix	trans	-54.4	-51.3	175.2	179.7	-96	0	0	0	111.1	Y495 L505 D506 I509 R537 F543 K544 H545	Y495-Y541 HydrophobicContact CE2-CD1 4.31Å; Y495-Y541 AromaticContact CE2-CE1 3.85Å; Y495-Y541 HydrophobicContact CE2-CE1 3.85Å; Y495-Y541 PolarHBondContact OH-OH 3.27Å; L505-Y541 HydrophobicContact CD2-CD1 4.04Å; L505-Y541 HydrophobicContact CD2-CE1 4.35Å; L505-Y541 HydrophobicContact CG-CD1 4.46Å; L505-Y541 HydrophobicContact CG-CE1 4.43Å; D506-Y541 WeakPolarHBondContact OD1-CE1 3.36Å; D506-Y541 PolarHBondContact OD1-OH 3.29Å; I509-Y541 HydrophobicContact CD1-CD1 4.25Å; I509-Y541 HydrophobicContact CD1-CE1 4.05Å; R537-Y541 PolarHBondContact O-N 2.82Å; R537-Y541 VanDerWaalsContact O-N 3.1Å; Y541-F543 PolarHBondContact O-N 2.66Å; Y541-K544 PolarHBondContact O-N 3.14Å; Y541-H545 AromaticContact CD2-CD2 3.73Å; Y541-H545 AromaticContact CD2-NE2 3.6Å; Y541-H545 AromaticContact CE2-CD2 3.74Å; Y541-H545 AromaticContact CE2-CE1 3.57Å; Y541-H545 AromaticContact CE2-NE2 3.36Å; Y541-H545 WeakPolarHBondContact CE2-NE2 3.48Å; Y541-H545 AromaticContact CZ-CE1 3.96Å; Y541-H545 WeakPolarHBondContact O-CB 3.45Å; Y541-H545 PolarHBondContact O-CD2 3.45Å; Y541-H545 PolarHBondContact O-N 3.21Å
542	T	97.6	Very high	96.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59	-53	-174.9	-61	0	0	0	0	112.3	L488 I509 L514 L538 G539 L540 L546	L488-T542 HydrophobicContact CD1-CG2 4.48Å; I509-T542 HydrophobicContact CD1-CG2 4.16Å; I509-T542 HydrophobicContact CG1-CG2 4.13Å; L514-T542 HydrophobicContact CD2-CG2 3.38Å; L538-T542 VanDerWaalsContact O-CB 3.27Å; L538-T542 WeakPolarHBondContact O-CB 3.41Å; L538-T542 PolarHBondContact O-N 2.95Å; L538-T542 PolarHBondContact O-OG1 2.84Å; G539-T542 PolarHBondContact O-N 3.39Å; L540-T542 VanDerWaalsContact C-N 3.34Å; L540-T542 PolarHBondContact O-N 3.1Å; T542-L546 VanDerWaalsContact O-CB 3.23Å; T542-L546 WeakPolarHBondContact O-CB 3.1Å; T542-L546 PolarHBondContact O-N 3.39Å
543	F	98.2	Very high	96.6	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.022	16%	0.157	C	C	.	.	H	α-helix	trans	-74.9	-33.9	-175.8	-69.7	-68.4	0	0	0	113	V316 C486 F526 T528 G539 Y541 L546 V547	V316-F543 HydrophobicContact CB-CE2 4.43Å; V316-F543 HydrophobicContact CB-CZ 4.48Å; V316-F543 HydrophobicContact CG1-CD2 4.08Å; V316-F543 HydrophobicContact CG1-CE2 3.5Å; V316-F543 HydrophobicContact CG1-CZ 3.84Å; V316-F543 HydrophobicContact CG2-CD1 4Å; V316-F543 HydrophobicContact CG2-CD2 4.22Å; V316-F543 HydrophobicContact CG2-CE1 3.78Å; V316-F543 HydrophobicContact CG2-CE2 4.01Å; V316-F543 HydrophobicContact CG2-CG 4.23Å; V316-F543 HydrophobicContact CG2-CZ 3.79Å; C486-F543 HydrophobicContact CB-CZ 4.27Å; F526-F543 HydrophobicContact CB-CE1 4.06Å; F526-F543 HydrophobicContact CB-CZ 3.68Å; F526-F543 AromaticContact CD2-CE1 3.66Å; F526-F543 HydrophobicContact CD2-CE1 3.66Å; F526-F543 HydrophobicContact CD2-CZ 4.19Å; F526-F543 HydrophobicContact CE2-CE1 4.26Å; F526-F543 AromaticContact CG-CE1 3.86Å; F526-F543 HydrophobicContact CG-CE1 3.86Å; F526-F543 AromaticContact CG-CZ 3.97Å; F526-F543 HydrophobicContact CG-CZ 3.97Å; T528-F543 HydrophobicContact CG2-CE2 3.76Å; T528-F543 HydrophobicContact CG2-CZ 4.2Å; G539-F543 VanDerWaalsContact O-CD2 3.26Å; G539-F543 WeakPolarHBondContact O-CD2 3.44Å; G539-F543 PolarHBondContact O-N 2.95Å; Y541-F543 PolarHBondContact O-N 2.66Å; F543-L546 HydrophobicContact CD1-CD2 4.16Å; F543-L546 HydrophobicContact CE1-CD2 4.48Å; F543-L546 PolarHBondContact O-N 2.78Å; F543-V547 WeakPolarHBondContact O-CB 3.24Å; F543-V547 VanDerWaalsContact O-CG2 3.28Å; F543-V547 WeakPolarHBondContact O-CG2 3.43Å; F543-V547 PolarHBondContact O-N 2.94Å
544	K	97.7	Very high	96.6	Very high	64 Å²	64	34.5 Å²	34.5	28%	0.278	16%	0.157	S	C	.	.	H	α-helix	trans	-60.1	-47.9	173.8	-178.4	169.6	179.3	161.9	0	110.8	E344 L540 Y541 R548	E344-K544 VanDerWaalsContact CD-NZ 3.3Å; E344-K544 IonicContact OE1-NZ 2.75Å; E344-K544 PolarHBondContact OE1-NZ 2.83Å; E344-K544 VanDerWaalsContact OE1-NZ 3.11Å; E344-K544 WeakPolarHBondContact OE2-CE 3.45Å; E344-K544 IonicContact OE2-NZ 3.88Å; E344-K544 PolarHBondContact OE2-NZ 2.87Å; L540-K544 WeakPolarHBondContact O-CB 3.45Å; L540-K544 PolarHBondContact O-N 2.86Å; Y541-K544 PolarHBondContact O-N 3.14Å; K544-R548 VanDerWaalsContact O-CG 3.3Å; K544-R548 WeakPolarHBondContact O-CG 3.11Å; K544-R548 PolarHBondContact O-N 3.06Å
545	H	97.6	Very high	96.8	Very high	59 Å²	59	37.1 Å²	37.1	27%	0.273	17%	0.171	S	C	.	.	H	α-helix	trans	-71.6	-39	-179.3	-75	-111	0	0	0	112.2	I509 Y541 V547 R548 F549	I509-H545 HydrophobicContact CD1-CB 4.46Å; I509-H545 HydrophobicContact CG2-CB 3.88Å; Y541-H545 AromaticContact CD2-CD2 3.73Å; Y541-H545 AromaticContact CD2-NE2 3.6Å; Y541-H545 AromaticContact CE2-CD2 3.74Å; Y541-H545 AromaticContact CE2-CE1 3.57Å; Y541-H545 AromaticContact CE2-NE2 3.36Å; Y541-H545 WeakPolarHBondContact CE2-NE2 3.48Å; Y541-H545 AromaticContact CZ-CE1 3.96Å; Y541-H545 WeakPolarHBondContact O-CB 3.45Å; Y541-H545 PolarHBondContact O-CD2 3.45Å; Y541-H545 PolarHBondContact O-N 3.21Å; H545-V547 PolarHBondContact O-N 3.02Å; H545-R548 PolarHBondContact O-N 2.68Å; H545-F549 WeakPolarHBondContact O-CB 3.29Å; H545-F549 PolarHBondContact O-N 2.58Å
546	L	98.2	Very high	97	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-58.4	-48.4	174.8	176.8	66.4	0	0	0	112.2	I509 L514 F515 V518 T542 F543 F549 L550	I509-L546 HydrophobicContact CG2-CB 4.18Å; L514-L546 HydrophobicContact CD1-CD2 4.12Å; L514-L546 HydrophobicContact CD2-CD1 4.41Å; L514-L546 HydrophobicContact CD2-CD2 3.87Å; L514-L546 HydrophobicContact CD2-CG 4.48Å; L514-L546 HydrophobicContact CG-CD1 3.97Å; L514-L546 HydrophobicContact CG-CD2 3.69Å; L514-L546 HydrophobicContact CG-CG 4.36Å; F515-L546 HydrophobicContact CB-CD1 4.34Å; V518-L546 HydrophobicContact CG2-CD2 4.16Å; T542-L546 VanDerWaalsContact O-CB 3.23Å; T542-L546 WeakPolarHBondContact O-CB 3.1Å; T542-L546 PolarHBondContact O-N 3.39Å; F543-L546 HydrophobicContact CD1-CD2 4.16Å; F543-L546 HydrophobicContact CE1-CD2 4.48Å; F543-L546 PolarHBondContact O-N 2.78Å; L546-F549 PolarHBondContact O-N 3.14Å; L546-L550 HydrophobicContact CD1-CD1 4.02Å; L546-L550 HydrophobicContact CD1-CG 4.26Å; L546-L550 HydrophobicContact CD2-CD1 4.49Å; L546-L550 HydrophobicContact CG-CD1 3.84Å; L546-L550 HydrophobicContact CG-CG 4.49Å; L546-L550 WeakPolarHBondContact O-CB 3.49Å; L546-L550 WeakPolarHBondContact O-CG 3.45Å; L546-L550 PolarHBondContact O-N 3.19Å
547	V	98.1	Very high	97.1	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.024	17%	0.17	C	C	.	.	H	α-helix	trans	-65.1	-41.9	-178.4	169	0	0	0	0	111.1	L345 H348 I349 F543 H545 L550 H551 L558	L345-V547 HydrophobicContact CD2-CB 4.07Å; L345-V547 HydrophobicContact CD2-CG1 4.28Å; L345-V547 HydrophobicContact CD2-CG2 3.95Å; H348-V547 HydrophobicContact CB-CG1 3.46Å; H348-V547 VanDerWaalsContact CB-CG1 3.46Å; I349-V547 HydrophobicContact CD1-CG2 3.75Å; I349-V547 HydrophobicContact CG1-CG1 4.47Å; I349-V547 HydrophobicContact CG1-CG2 4.48Å; F543-V547 WeakPolarHBondContact O-CB 3.24Å; F543-V547 VanDerWaalsContact O-CG2 3.28Å; F543-V547 WeakPolarHBondContact O-CG2 3.43Å; F543-V547 PolarHBondContact O-N 2.94Å; H545-V547 PolarHBondContact O-N 3.02Å; V547-L550 PolarHBondContact O-N 2.98Å; V547-H551 WeakPolarHBondContact O-CB 3.2Å; V547-H551 PolarHBondContact O-N 3.44Å; V547-L558 HydrophobicContact CB-CD1 4.47Å; V547-L558 HydrophobicContact CG1-CD1 4.1Å; V547-L558 HydrophobicContact CG2-CD1 4.09Å
548	R	96.4	Very high	97.2	Very high	144 Å²	144	36.3 Å²	36.3	54%	0.543	16%	0.161	S	C	.	.	H	α-helix	trans	-59.3	-48.6	173.3	-72	177.5	73.2	167.4	7.2	111.1	K544 H545 L550 H551 S552	K544-R548 VanDerWaalsContact O-CG 3.3Å; K544-R548 WeakPolarHBondContact O-CG 3.11Å; K544-R548 PolarHBondContact O-N 3.06Å; H545-R548 PolarHBondContact O-N 2.68Å; R548-L550 PolarHBondContact O-N 2.93Å; R548-H551 PolarHBondContact O-N 2.77Å; R548-S552 PolarHBondContact O-N 3.09Å; R548-S552 PolarHBondContact O-OG 3.47Å; R548-S552 VanDerWaalsContact O-OG 3.09Å
549	F	96.3	Very high	97.3	Very high	21 Å²	21	39 Å²	39	9%	0.092	17%	0.174	C	C	.	.	H	α-helix	trans	-62.2	-45.6	-179.3	-167.9	-90.1	0	0	0	112.2	W288 N510 G511 F515 H545 L546 H551 S552 W553	W288-F549 HydrophobicContact CD2-CZ 4.29Å; W288-F549 HydrophobicContact CE3-CE1 4.33Å; W288-F549 HydrophobicContact CE3-CZ 4.22Å; W288-F549 HydrophobicContact CH2-CE1 4.24Å; W288-F549 AromaticContact CH2-CZ 3.7Å; W288-F549 HydrophobicContact CH2-CZ 3.7Å; W288-F549 HydrophobicContact CZ2-CE2 4.49Å; W288-F549 AromaticContact CZ2-CZ 3.75Å; W288-F549 HydrophobicContact CZ2-CZ 3.75Å; W288-F549 HydrophobicContact CZ3-CE1 4.05Å; W288-F549 AromaticContact CZ3-CZ 3.93Å; W288-F549 HydrophobicContact CZ3-CZ 3.93Å; N510-F549 HydrophobicContact CB-CD2 4.09Å; N510-F549 HydrophobicContact CB-CE2 3.87Å; N510-F549 HydrophobicContact CB-CZ 4.38Å; N510-F549 WeakPolarHBondContact OD1-CD2 3.29Å; G511-F549 VanDerWaalsContact N-CE1 3.25Å; F515-F549 AromaticContact CD2-CD1 3.63Å; F515-F549 HydrophobicContact CD2-CD1 3.63Å; F515-F549 AromaticContact CD2-CE1 3.83Å; F515-F549 HydrophobicContact CD2-CE1 3.83Å; F515-F549 AromaticContact CE2-CD1 3.95Å; F515-F549 HydrophobicContact CE2-CD1 3.95Å; F515-F549 AromaticContact CE2-CE1 3.94Å; F515-F549 HydrophobicContact CE2-CE1 3.94Å; F515-F549 HydrophobicContact CG-CD1 4.27Å; F515-F549 HydrophobicContact CG-CE1 4.19Å; F515-F549 HydrophobicContact CZ-CE1 4.41Å; H545-F549 WeakPolarHBondContact O-CB 3.29Å; H545-F549 PolarHBondContact O-N 2.58Å; L546-F549 PolarHBondContact O-N 3.14Å; F549-H551 VanDerWaalsContact C-N 3.32Å; F549-H551 PolarHBondContact O-N 3.44Å; F549-S552 PolarHBondContact O-N 2.96Å; F549-W553 AromaticContact CD1-CD1 3.98Å; F549-W553 AromaticContact CD2-CD1 3.78Å; F549-W553 AromaticContact CD2-NE1 3.91Å; F549-W553 AromaticContact CE1-CD1 3.76Å; F549-W553 HydrophobicContact CE1-CG 4.4Å; F549-W553 AromaticContact CE2-CD1 3.55Å; F549-W553 AromaticContact CE2-NE1 3.44Å; F549-W553 AromaticContact CG-CD1 3.99Å; F549-W553 AromaticContact CZ-CD1 3.53Å; F549-W553 HydrophobicContact CZ-CG 4.34Å; F549-W553 AromaticContact CZ-NE1 3.72Å; F549-W553 PolarHBondContact O-N 2.95Å; F549-W553 VanDerWaalsContact O-N 3.13Å
550	L	97	Very high	97.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58	-44.4	174.6	-75.4	164	0	0	0	111.6	F515 V518 L546 V547 R548 T554 L556 L558	F515-L550 HydrophobicContact CD2-CD2 3.56Å; F515-L550 HydrophobicContact CD2-CG 4.16Å; F515-L550 HydrophobicContact CE2-CD2 3.66Å; F515-L550 HydrophobicContact CE2-CG 4.49Å; V518-L550 HydrophobicContact CB-CD1 4.05Å; V518-L550 HydrophobicContact CB-CD2 4.21Å; V518-L550 HydrophobicContact CG1-CD1 3.73Å; V518-L550 HydrophobicContact CG1-CD2 4.08Å; V518-L550 HydrophobicContact CG2-CD1 4.24Å; L546-L550 HydrophobicContact CD1-CD1 4.02Å; L546-L550 HydrophobicContact CD1-CG 4.26Å; L546-L550 HydrophobicContact CD2-CD1 4.49Å; L546-L550 HydrophobicContact CG-CD1 3.84Å; L546-L550 HydrophobicContact CG-CG 4.49Å; L546-L550 WeakPolarHBondContact O-CB 3.49Å; L546-L550 WeakPolarHBondContact O-CG 3.45Å; L546-L550 PolarHBondContact O-N 3.19Å; V547-L550 PolarHBondContact O-N 2.98Å; R548-L550 PolarHBondContact O-N 2.93Å; L550-T554 WeakPolarHBondContact O-CB 3.31Å; L550-T554 PolarHBondContact O-N 3.34Å; L550-T554 PolarHBondContact O-OG1 2.6Å; L550-L556 HydrophobicContact CD2-CD1 4.03Å; L550-L558 HydrophobicContact CB-CD1 4.46Å; L550-L558 HydrophobicContact CD1-CD1 4.09Å; L550-L558 HydrophobicContact CD1-CD2 4.34Å
551	H	95.1	Very high	97.3	Very high	91 Å²	91	40.8 Å²	40.8	42%	0.421	18%	0.184	S	C	.	.	H	α-helix	trans	-65.2	-40.6	179.8	-172.1	82.7	0	0	0	112.4	R211 V547 R548 F549	R211-H551 PolarHBondContact NH1-O 2.83Å; R211-H551 PolarHBondContact NH2-O 3.46Å; V547-H551 WeakPolarHBondContact O-CB 3.2Å; V547-H551 PolarHBondContact O-N 3.44Å; R548-H551 PolarHBondContact O-N 2.77Å; F549-H551 VanDerWaalsContact C-N 3.32Å; F549-H551 PolarHBondContact O-N 3.44Å
552	S	94.4	Very high	97.3	Very high	52 Å²	52	39.7 Å²	39.7	36%	0.364	18%	0.184	S	C	.	.	H	α-helix	trans	-64.7	-42.1	179.7	-63.6	0	0	0	0	112.2	S213 R548 F549	S213-S552 WeakPolarHBondContact CB-O 3.49Å; S213-S552 PolarHBondContact OG-O 3.01Å; R548-S552 PolarHBondContact O-N 3.09Å; R548-S552 PolarHBondContact O-OG 3.47Å; R548-S552 VanDerWaalsContact O-OG 3.09Å; F549-S552 PolarHBondContact O-N 2.96Å
553	W	96.3	Very high	97.2	Very high	20 Å²	20	39.7 Å²	39.7	8%	0.076	19%	0.185	C	C	.	.	H	α-helix	trans	-106.9	-6.9	-167.1	-67	108.3	0	0	0	115.2	I200 R211 E214 E216 W288 L289 F549	I200-W553 HydrophobicContact CD1-CE3 3.84Å; I200-W553 HydrophobicContact CD1-CZ3 3.69Å; R211-W553 PolarHBondContact N-O 3.06Å; E214-W553 WeakPolarHBondContact O-CH2 3.47Å; E214-W553 WeakPolarHBondContact O-CZ3 3.36Å; E216-W553 HydrophobicContact CB-CH2 3.88Å; E216-W553 HydrophobicContact CB-CZ2 4.33Å; W288-W553 HydrophobicContact CH2-CB 4.27Å; W288-W553 AromaticContact CH2-CD2 3.43Å; W288-W553 HydrophobicContact CH2-CD2 3.43Å; W288-W553 VanDerWaalsContact CH2-CD2 3.43Å; W288-W553 AromaticContact CH2-CE2 3.61Å; W288-W553 AromaticContact CH2-CE3 3.71Å; W288-W553 HydrophobicContact CH2-CE3 3.71Å; W288-W553 AromaticContact CH2-CG 3.69Å; W288-W553 HydrophobicContact CH2-CG 3.69Å; W288-W553 HydrophobicContact CH2-CH2 4.26Å; W288-W553 HydrophobicContact CH2-CZ2 4.03Å; W288-W553 HydrophobicContact CH2-CZ3 4.11Å; W288-W553 AromaticContact CH2-NE1 3.98Å; W288-W553 HydrophobicContact CZ2-CD2 4.24Å; W288-W553 AromaticContact CZ2-CE2 3.96Å; W288-W553 HydrophobicContact CZ2-CH2 4.33Å; W288-W553 HydrophobicContact CZ2-CZ2 4.01Å; W288-W553 HydrophobicContact CZ3-CB 4.35Å; W288-W553 HydrophobicContact CZ3-CD2 4.33Å; W288-W553 HydrophobicContact CZ3-CG 4.23Å; L289-W553 HydrophobicContact CD1-CZ3 4.38Å; L289-W553 HydrophobicContact CD2-CE3 4.11Å; L289-W553 HydrophobicContact CD2-CZ3 4.12Å; F549-W553 AromaticContact CD1-CD1 3.98Å; F549-W553 AromaticContact CD2-CD1 3.78Å; F549-W553 AromaticContact CD2-NE1 3.91Å; F549-W553 AromaticContact CE1-CD1 3.76Å; F549-W553 HydrophobicContact CE1-CG 4.4Å; F549-W553 AromaticContact CE2-CD1 3.55Å; F549-W553 AromaticContact CE2-NE1 3.44Å; F549-W553 AromaticContact CG-CD1 3.99Å; F549-W553 AromaticContact CZ-CD1 3.53Å; F549-W553 HydrophobicContact CZ-CG 4.34Å; F549-W553 AromaticContact CZ-NE1 3.72Å; F549-W553 PolarHBondContact O-N 2.95Å; F549-W553 VanDerWaalsContact O-N 3.13Å
554	T	97.6	Very high	97.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-134.2	157.6	-175.4	80.4	0	0	0	0	113.9	V209 R211 L292 F515 L550 L556	V209-T554 CarbonylContact O-C 3.57Å; V209-T554 WeakPolarHBondContact O-CA 3.03Å; V209-T554 WeakPolarHBondContact O-CB 3.24Å; R211-T554 PolarHBondContact NE-O 3.14Å; R211-T554 PolarHBondContact NH2-O 2.98Å; L292-T554 HydrophobicContact CD1-CG2 4.21Å; L292-T554 HydrophobicContact CD2-CG2 4.4Å; F515-T554 HydrophobicContact CE2-CG2 3.87Å; F515-T554 HydrophobicContact CZ-CG2 4.05Å; L550-T554 WeakPolarHBondContact O-CB 3.31Å; L550-T554 PolarHBondContact O-N 3.34Å; L550-T554 PolarHBondContact O-OG1 2.6Å; T554-L556 HydrophobicContact CG2-CD1 4.23Å; T554-L556 HydrophobicContact CG2-CG 4.46Å; T554-L556 WeakPolarHBondContact OG1-CB 3.41Å; T554-L556 WeakPolarHBondContact OG1-CG 3.42Å; T554-L556 PolarHBondContact OG1-N 2.99Å
555	N	97.3	Very high	97.3	Very high	55 Å²	55	42 Å²	42	29%	0.294	20%	0.197	S	C	.	.			trans	-90.2	15.7	169.7	-59.9	-38.5	0	0	0	111.8	Y208 V209 T210 R211 L310	Y208-N555 PolarHBondContact O-ND2 3.36Å; V209-N555 PolarHBondContact O-N 2.89Å; T210-N555 PolarHBondContact O-ND2 3.47Å; T210-N555 VanDerWaalsContact O-ND2 3.09Å; R211-N555 WeakPolarHBondContact CB-OD1 3.5Å; R211-N555 PolarHBondContact NE-OD1 3.26Å; L310-N555 HydrophobicContact CD1-CB 4.47Å
556	L	97.9	Very high	97.3	Very high	11 Å²	11	39.2 Å²	39.2	6%	0.058	18%	0.184	C	C	.	.			trans	-66.4	140.3	179.6	-62.7	175.5	0	0	0	110.5	V209 L310 R312 L519 L550 T554 L558	V209-L556 HydrophobicContact CG1-CD1 4.43Å; V209-L556 HydrophobicContact CG1-CD2 3.76Å; V209-L556 HydrophobicContact CG1-CG 3.98Å; L310-L556 HydrophobicContact CD2-CD2 4.42Å; L310-L556 WeakPolarHBondContact O-CA 3.49Å; L310-L556 WeakPolarHBondContact O-CD2 3.49Å; R312-L556 HydrophobicContact CG-CB 4.24Å; R312-L556 HydrophobicContact CG-CD1 4.08Å; R312-L556 HydrophobicContact CG-CD2 4.06Å; R312-L556 HydrophobicContact CG-CG 4.35Å; L519-L556 HydrophobicContact CD1-CD1 4.32Å; L550-L556 HydrophobicContact CD2-CD1 4.03Å; T554-L556 HydrophobicContact CG2-CD1 4.23Å; T554-L556 HydrophobicContact CG2-CG 4.46Å; T554-L556 WeakPolarHBondContact OG1-CB 3.41Å; T554-L556 WeakPolarHBondContact OG1-CG 3.42Å; T554-L556 PolarHBondContact OG1-N 2.99Å; L556-L558 HydrophobicContact CB-CD2 4.31Å
557	R	98	Very high	97.3	Very high	144 Å²	144	39.1 Å²	39.1	54%	0.543	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	102.6	176.2	-61.2	-174.7	-56.9	-155.1	2.4	108.3	L310 D311 R312	L310-R557 PolarHBondContact O-N 3.3Å; D311-R557 WeakPolarHBondContact CA-O 3.24Å; D311-R557 VanDerWaalsContact CG-NH2 3.25Å; D311-R557 WeakPolarHBondContact OD1-CB 3.37Å; D311-R557 IonicContact OD1-CZ 3.2Å; D311-R557 IonicContact OD1-NE 3.57Å; D311-R557 PolarHBondContact OD1-NE 2.98Å; D311-R557 IonicContact OD1-NH2 2.84Å; D311-R557 PolarHBondContact OD1-NH2 2.93Å; D311-R557 IonicContact OD2-NH2 3.98Å; D311-R557 PolarHBondContact OD2-NH2 3.21Å; R312-R557 PolarHBondContact N-O 3Å
558	L	98.5	Very high	97.3	Very high	17 Å²	17	43.3 Å²	43.3	9%	0.089	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	135.7	-178.2	-52.8	-172.7	0	0	0	110.1	R312 I314 I349 V518 V547 L550 L556	R312-L558 HydrophobicContact CB-CD2 3.73Å; R312-L558 HydrophobicContact CG-CD2 4.24Å; R312-L558 CarbonylContact O-C 3.51Å; R312-L558 WeakPolarHBondContact O-CA 3.4Å; I314-L558 HydrophobicContact CD1-CD1 4.22Å; I314-L558 HydrophobicContact CD1-CD2 4.1Å; I349-L558 HydrophobicContact CD1-CB 4.22Å; I349-L558 HydrophobicContact CD1-CD1 4.14Å; I349-L558 HydrophobicContact CG1-CB 3.7Å; I349-L558 HydrophobicContact CG1-CD1 4.08Å; V518-L558 HydrophobicContact CG1-CD2 4.27Å; V547-L558 HydrophobicContact CB-CD1 4.47Å; V547-L558 HydrophobicContact CG1-CD1 4.1Å; V547-L558 HydrophobicContact CG2-CD1 4.09Å; L550-L558 HydrophobicContact CB-CD1 4.46Å; L550-L558 HydrophobicContact CD1-CD1 4.09Å; L550-L558 HydrophobicContact CD1-CD2 4.34Å; L556-L558 HydrophobicContact CB-CD2 4.31Å
559	Q	98.1	Very high	97.4	Very high	59 Å²	59	39.5 Å²	39.5	28%	0.276	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158.6	-178.9	-60.4	-176	43.5	0	0	109.3	D311 R312 Y313 I314	D311-Q559 VanDerWaalsContact CG-NE2 3.34Å; D311-Q559 PolarHBondContact OD1-NE2 2.77Å; D311-Q559 VanDerWaalsContact OD1-NE2 3.11Å; R312-Q559 PolarHBondContact O-N 3.18Å; Y313-Q559 CarbonylContact C-O 3.52Å; Y313-Q559 VanDerWaalsContact CA-O 3.28Å; Y313-Q559 WeakPolarHBondContact CA-O 3.45Å; Y313-Q559 HydrophobicContact CD1-CB 3.86Å; Y313-Q559 HydrophobicContact CE1-CB 3.99Å; I314-Q559 PolarHBondContact N-O 3.29Å
560	T	97.9	Very high	97.5	Very high	12 Å²	12	38.7 Å²	38.7	7%	0.074	19%	0.187	C	C	.	.			trans	-123.5	153	164.9	-161.8	0	0	0	0	109.7	I314 N351 W385	I314-T560 WeakPolarHBondContact O-CB 3.47Å; I314-T560 PolarHBondContact O-OG1 2.74Å; N351-T560 VanDerWaalsContact C-CG2 3.49Å; N351-T560 VanDerWaalsContact O-CG2 3.23Å; N351-T560 WeakPolarHBondContact O-CG2 3.36Å; W385-T560 HydrophobicContact CH2-CG2 4.12Å
561	L	97.9	Very high	97.5	Very high	35 Å²	35	39.1 Å²	39.1	18%	0.183	19%	0.189	C	C	.	.			trans	-136.9	146.5	173	-71.2	175.2	0	0	0	108.9	Y313 Q565 L566 K569	Y313-L561 HydrophobicContact CD1-CD1 3.56Å; Y313-L561 HydrophobicContact CD1-CG 3.74Å; Y313-L561 HydrophobicContact CE1-CD1 3.51Å; Y313-L561 HydrophobicContact CE1-CG 3.91Å; L561-Q565 HydrophobicContact CB-CB 4.31Å; L561-L566 HydrophobicContact CB-CB 4.04Å; L561-L566 HydrophobicContact CB-CD1 4.24Å; L561-L566 HydrophobicContact CD1-CD1 4.39Å; L561-K569 HydrophobicContact CD1-CB 4.19Å; L561-K569 HydrophobicContact CD1-CG 4.4Å
562	P	97.2	Very high	97.6	Very high	39 Å²	39	41.2 Å²	41.2	25%	0.253	20%	0.199	S	C	.	.			trans	-53.7	144.5	169.1	-24.6	33.3	0	0	0	110.8	W385 V564 Q565 L566	W385-P562 HydrophobicContact CH2-CB 4.33Å; W385-P562 HydrophobicContact CH2-CG 3.99Å; W385-P562 HydrophobicContact CZ2-CB 4.3Å; W385-P562 HydrophobicContact CZ2-CG 3.77Å; P562-V564 VanDerWaalsContact C-N 3.27Å; P562-V564 PolarHBondContact O-N 3.37Å; P562-Q565 PolarHBondContact O-N 3.26Å; P562-L566 PolarHBondContact O-N 2.82Å
563	P	96.3	Very high	97.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-52.5	-37.8	-169.1	-30.4	34.4	0	0	0	115.4	L315 Y427 L566 A567	L315-P563 HydrophobicContact CD2-CB 4.44Å; L315-P563 HydrophobicContact CD2-CG 4.04Å; Y427-P563 HydrophobicContact CD1-CB 3.96Å; Y427-P563 HydrophobicContact CD1-CG 3.81Å; Y427-P563 HydrophobicContact CD2-CB 3.7Å; Y427-P563 HydrophobicContact CD2-CG 4.45Å; Y427-P563 HydrophobicContact CE1-CG 4.37Å; Y427-P563 HydrophobicContact CE2-CB 4.3Å; Y427-P563 HydrophobicContact CG-CB 3.49Å; Y427-P563 VanDerWaalsContact CG-CB 3.49Å; Y427-P563 HydrophobicContact CG-CG 3.84Å; P563-L566 PolarHBondContact O-N 3.26Å; P563-A567 WeakPolarHBondContact O-CB 3.37Å; P563-A567 PolarHBondContact O-N 3.22Å
564	V	97.9	Very high	97.5	Very high	16 Å²	16	41.5 Å²	41.5	10%	0.097	20%	0.196	C	C	.	.	H	α-helix	trans	-65.8	-43.3	177.4	178.8	0	0	0	0	112.3	M425 V455 P562 A567 Q568	M425-V564 VanDerWaalsContact O-CG2 3.27Å; M425-V564 WeakPolarHBondContact O-CG2 3.46Å; V455-V564 HydrophobicContact CG2-CB 4.38Å; V455-V564 HydrophobicContact CG2-CG2 4.08Å; P562-V564 VanDerWaalsContact C-N 3.27Å; P562-V564 PolarHBondContact O-N 3.37Å; V564-A567 PolarHBondContact O-N 3.42Å; V564-Q568 WeakPolarHBondContact O-CG 3.33Å; V564-Q568 PolarHBondContact O-N 3.48Å; V564-Q568 VanDerWaalsContact O-N 3.14Å
565	Q	98.3	Very high	97.4	Very high	100 Å²	100	44.9 Å²	44.9	47%	0.467	22%	0.22	S	C	.	.	H	α-helix	trans	-70.1	-38.3	177.7	-61.5	179.1	20.6	0	0	110.7	L561 P562 A567 Q568 K569	L561-Q565 HydrophobicContact CB-CB 4.31Å; P562-Q565 PolarHBondContact O-N 3.26Å; Q565-A567 VanDerWaalsContact C-N 3.3Å; Q565-A567 PolarHBondContact O-N 3.02Å; Q565-Q568 PolarHBondContact O-N 3.23Å; Q565-K569 WeakPolarHBondContact O-CB 3.43Å; Q565-K569 PolarHBondContact O-N 2.82Å
566	L	98.3	Very high	97.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-41.6	174.6	-170.6	63.4	0	0	0	111.3	Y313 L315 I523 I525 L561 P562 P563 K569 Y570	Y313-L566 VanDerWaalsContact CB-CD1 3.47Å; Y313-L566 HydrophobicContact CD1-CD1 4.39Å; Y313-L566 HydrophobicContact CG-CD1 4.07Å; L315-L566 HydrophobicContact CB-CD2 3.85Å; L315-L566 HydrophobicContact CD2-CD2 4.04Å; I523-L566 HydrophobicContact CD1-CD1 4.22Å; I523-L566 HydrophobicContact CG1-CD1 4.31Å; I523-L566 HydrophobicContact CG2-CD1 3.8Å; I523-L566 HydrophobicContact CG2-CD2 4.16Å; I523-L566 HydrophobicContact CG2-CG 4Å; I525-L566 HydrophobicContact CD1-CD2 4.27Å; I525-L566 HydrophobicContact CG1-CD2 3.92Å; L561-L566 HydrophobicContact CB-CB 4.04Å; L561-L566 HydrophobicContact CB-CD1 4.24Å; L561-L566 HydrophobicContact CD1-CD1 4.39Å; P562-L566 PolarHBondContact O-N 2.82Å; P563-L566 PolarHBondContact O-N 3.26Å; L566-K569 WeakPolarHBondContact O-CB 3.36Å; L566-K569 PolarHBondContact O-N 2.74Å; L566-Y570 PolarHBondContact O-N 2.81Å
567	A	98.3	Very high	96.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-44.4	176.6	0	0	0	0	0	112.7	V455 M479 L481 P563 V564 Q565 K569 Y570 F571	V455-A567 HydrophobicContact CB-CB 4.33Å; V455-A567 HydrophobicContact CG1-CB 3.73Å; V455-A567 HydrophobicContact CG2-CB 3.54Å; M479-A567 HydrophobicContact CB-CB 4.05Å; M479-A567 HydrophobicContact CE-CB 3.71Å; M479-A567 HydrophobicContact SD-CB 3.86Å; L481-A567 HydrophobicContact CD1-CB 3.83Å; L481-A567 HydrophobicContact CD2-CB 3.92Å; L481-A567 HydrophobicContact CG-CB 4.14Å; P563-A567 WeakPolarHBondContact O-CB 3.37Å; P563-A567 PolarHBondContact O-N 3.22Å; V564-A567 PolarHBondContact O-N 3.42Å; Q565-A567 VanDerWaalsContact C-N 3.3Å; Q565-A567 PolarHBondContact O-N 3.02Å; A567-K569 VanDerWaalsContact C-N 3.28Å; A567-K569 PolarHBondContact O-N 2.93Å; A567-Y570 WeakPolarHBondContact O-CB 3.33Å; A567-Y570 PolarHBondContact O-N 2.82Å; A567-Y570 VanDerWaalsContact O-N 3.17Å; A567-F571 VanDerWaalsContact O-CD2 3.29Å; A567-F571 WeakPolarHBondContact O-CD2 3.46Å; A567-F571 PolarHBondContact O-N 2.85Å; A567-F571 VanDerWaalsContact O-N 3.1Å
568	Q	98.2	Very high	96.8	Very high	92 Å²	92	46.1 Å²	46.1	43%	0.43	23%	0.228	S	C	.	.	H	α-helix	trans	-59.1	-43.5	174.6	-69.6	169.9	-10.5	0	0	110.8	M479 V564 Q565 Y570 F571 Q572	M479-Q568 HydrophobicContact CE-CG 4.21Å; V564-Q568 WeakPolarHBondContact O-CG 3.33Å; V564-Q568 PolarHBondContact O-N 3.48Å; V564-Q568 VanDerWaalsContact O-N 3.14Å; Q565-Q568 PolarHBondContact O-N 3.23Å; Q568-Y570 VanDerWaalsContact C-N 3.34Å; Q568-Y570 PolarHBondContact O-N 2.9Å; Q568-F571 PolarHBondContact O-N 2.91Å; Q568-Q572 WeakPolarHBondContact O-CB 3.27Å; Q568-Q572 WeakPolarHBondContact O-CG 3.05Å; Q568-Q572 PolarHBondContact O-N 3.02Å
569	K	98	Very high	96.5	Very high	63 Å²	63	49.3 Å²	49.3	27%	0.274	25%	0.246	S	C	.	.	H	α-helix	trans	-61.6	-41.8	175.5	-169.9	71.4	179.6	-164.9	0	111.8	Y313 I523 L561 Q565 L566 A567 Q572 I573	Y313-K569 HydrophobicContact CE2-CG 4.18Å; Y313-K569 VanDerWaalsContact OH-CE 3.27Å; Y313-K569 WeakPolarHBondContact OH-CE 3.44Å; Y313-K569 PolarHBondContact OH-NZ 3.44Å; I523-K569 HydrophobicContact CD1-CB 4.42Å; I523-K569 HydrophobicContact CD1-CG 4.31Å; L561-K569 HydrophobicContact CD1-CB 4.19Å; L561-K569 HydrophobicContact CD1-CG 4.4Å; Q565-K569 WeakPolarHBondContact O-CB 3.43Å; Q565-K569 PolarHBondContact O-N 2.82Å; L566-K569 WeakPolarHBondContact O-CB 3.36Å; L566-K569 PolarHBondContact O-N 2.74Å; A567-K569 VanDerWaalsContact C-N 3.28Å; A567-K569 PolarHBondContact O-N 2.93Å; K569-Q572 WeakPolarHBondContact O-CB 3.16Å; K569-Q572 PolarHBondContact O-N 3.18Å; K569-I573 HydrophobicContact CG-CD1 4.11Å; K569-I573 WeakPolarHBondContact O-CG1 3.27Å; K569-I573 PolarHBondContact O-N 3.38Å
570	Y	97.9	Very high	96.4	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-56.2	-54.1	176.6	-173.3	-83.8	0	0	0	111.8	G472 L481 P482 I523 L566 A567 Q568 Q572 I573 F574 E577	G472-Y570 PolarHBondContact N-OH 3.4Å; G472-Y570 VanDerWaalsContact N-OH 3.08Å; L481-Y570 HydrophobicContact CD2-CD1 4.07Å; L481-Y570 HydrophobicContact CD2-CD2 4.32Å; L481-Y570 HydrophobicContact CD2-CG 3.76Å; P482-Y570 HydrophobicContact CG-CD2 4.49Å; P482-Y570 HydrophobicContact CG-CE2 3.53Å; P482-Y570 WeakPolarHBondContact CG-OH 3.38Å; I523-Y570 HydrophobicContact CB-CD2 4.28Å; I523-Y570 VanDerWaalsContact CD1-CA 3.44Å; I523-Y570 HydrophobicContact CD1-CD2 3.92Å; I523-Y570 HydrophobicContact CD1-CG 4.29Å; I523-Y570 HydrophobicContact CG2-CD2 4.38Å; L566-Y570 PolarHBondContact O-N 2.81Å; A567-Y570 WeakPolarHBondContact O-CB 3.33Å; A567-Y570 PolarHBondContact O-N 2.82Å; A567-Y570 VanDerWaalsContact O-N 3.17Å; Q568-Y570 VanDerWaalsContact C-N 3.34Å; Q568-Y570 PolarHBondContact O-N 2.9Å; Y570-Q572 VanDerWaalsContact C-N 3.25Å; Y570-Q572 PolarHBondContact O-N 3.06Å; Y570-I573 PolarHBondContact O-N 2.93Å; Y570-I573 VanDerWaalsContact O-N 3.1Å; Y570-F574 HydrophobicContact CD1-CD2 4.23Å; Y570-F574 AromaticContact CD2-CD2 3.97Å; Y570-F574 HydrophobicContact CD2-CD2 3.97Å; Y570-F574 HydrophobicContact CD2-CE2 4.29Å; Y570-F574 HydrophobicContact CE1-CB 4.1Å; Y570-F574 AromaticContact CE1-CD2 3.92Å; Y570-F574 HydrophobicContact CE1-CD2 3.92Å; Y570-F574 HydrophobicContact CE1-CG 4.43Å; Y570-F574 AromaticContact CE2-CD2 3.67Å; Y570-F574 HydrophobicContact CE2-CD2 3.67Å; Y570-F574 AromaticContact CE2-CE2 3.93Å; Y570-F574 HydrophobicContact CE2-CE2 3.93Å; Y570-F574 HydrophobicContact CG-CD2 4.22Å; Y570-F574 AromaticContact CZ-CD2 3.62Å; Y570-F574 PolarHBondContact O-N 2.77Å; Y570-E577 HydrophobicContact CE1-CB 4.44Å; Y570-E577 WeakPolarHBondContact CE1-OE2 3.34Å; Y570-E577 PolarHBondContact OH-OE2 2.78Å
571	F	97.7	Very high	96.3	Very high	9 Å²	9	47.4 Å²	47.4	4%	0.039	24%	0.237	C	C	.	.	H	α-helix	trans	-77.9	-7.4	-178.6	-67	-69.7	0	0	0	114.2	F473 I474 M479 L481 A567 Q568 S575 E577 K578	F473-F571 WeakPolarHBondContact O-CZ 3.35Å; I474-F571 HydrophobicContact CD1-CD1 4.44Å; I474-F571 HydrophobicContact CD1-CD2 4.35Å; I474-F571 HydrophobicContact CD1-CE2 4.46Å; I474-F571 HydrophobicContact CD1-CG 4.35Å; I474-F571 HydrophobicContact CG1-CD1 4.46Å; I474-F571 HydrophobicContact CG1-CD2 4.45Å; I474-F571 HydrophobicContact CG1-CE1 4.05Å; I474-F571 HydrophobicContact CG1-CE2 4.08Å; I474-F571 HydrophobicContact CG1-CZ 3.85Å; M479-F571 HydrophobicContact CB-CD2 4.25Å; M479-F571 HydrophobicContact CB-CE2 3.67Å; M479-F571 HydrophobicContact CG-CD2 3.79Å; M479-F571 HydrophobicContact CG-CE2 3.65Å; M479-F571 HydrophobicContact SD-CD2 3.68Å; M479-F571 HydrophobicContact SD-CE2 4.12Å; L481-F571 HydrophobicContact CD2-CE2 3.95Å; A567-F571 VanDerWaalsContact O-CD2 3.29Å; A567-F571 WeakPolarHBondContact O-CD2 3.46Å; A567-F571 PolarHBondContact O-N 2.85Å; A567-F571 VanDerWaalsContact O-N 3.1Å; Q568-F571 PolarHBondContact O-N 2.91Å; F571-S575 WeakPolarHBondContact O-CA 3.37Å; F571-E577 WeakPolarHBondContact CE1-O 3.44Å; F571-K578 HydrophobicContact CB-CG 4.24Å; F571-K578 HydrophobicContact CD1-CB 4.41Å; F571-K578 HydrophobicContact CD1-CG 3.6Å; F571-K578 HydrophobicContact CE1-CG 4.32Å; F571-K578 HydrophobicContact CG-CG 4.17Å
572	Q	96.6	Very high	96.2	Very high	135 Å²	135	45.9 Å²	45.9	63%	0.631	23%	0.229	S	C	*	.	H	α-helix	trans	-76.8	-40.5	163.3	-75.7	167.8	10.6	0	0	111.3	Q568 K569 Y570	Q568-Q572 WeakPolarHBondContact O-CB 3.27Å; Q568-Q572 WeakPolarHBondContact O-CG 3.05Å; Q568-Q572 PolarHBondContact O-N 3.02Å; K569-Q572 WeakPolarHBondContact O-CB 3.16Å; K569-Q572 PolarHBondContact O-N 3.18Å; Y570-Q572 VanDerWaalsContact C-N 3.25Å; Y570-Q572 PolarHBondContact O-N 3.06Å
573	I	94.8	Very high	96.1	Very high	59 Å²	59	45.4 Å²	45.4	30%	0.303	22%	0.223	S	C	.	.	H	α-helix	trans	-74.9	-44.6	178.4	-63.6	170.4	0	0	0	110.6	P522 I523 K569 Y570	P522-I573 HydrophobicContact CB-CD1 4.38Å; I523-I573 HydrophobicContact CD1-CD1 4.15Å; I523-I573 HydrophobicContact CG1-CD1 4.46Å; K569-I573 HydrophobicContact CG-CD1 4.11Å; K569-I573 WeakPolarHBondContact O-CG1 3.27Å; K569-I573 PolarHBondContact O-N 3.38Å; Y570-I573 PolarHBondContact O-N 2.93Å; Y570-I573 VanDerWaalsContact O-N 3.1Å
574	F	94.8	Very high	96.1	Very high	19 Å²	19	46.3 Å²	46.3	8%	0.083	23%	0.228	C	C	.	.			trans	-115.5	67.3	-174.9	-55.1	-65.3	0	0	0	110.9	R108 P522 Y570 E576 E577	R108-F574 HydrophobicContact CG-CD1 4.42Å; R108-F574 HydrophobicContact CG-CE1 3.86Å; P522-F574 HydrophobicContact CG-CZ 4.11Å; Y570-F574 HydrophobicContact CD1-CD2 4.23Å; Y570-F574 AromaticContact CD2-CD2 3.97Å; Y570-F574 HydrophobicContact CD2-CD2 3.97Å; Y570-F574 HydrophobicContact CD2-CE2 4.29Å; Y570-F574 HydrophobicContact CE1-CB 4.1Å; Y570-F574 AromaticContact CE1-CD2 3.92Å; Y570-F574 HydrophobicContact CE1-CD2 3.92Å; Y570-F574 HydrophobicContact CE1-CG 4.43Å; Y570-F574 AromaticContact CE2-CD2 3.67Å; Y570-F574 HydrophobicContact CE2-CD2 3.67Å; Y570-F574 AromaticContact CE2-CE2 3.93Å; Y570-F574 HydrophobicContact CE2-CE2 3.93Å; Y570-F574 HydrophobicContact CG-CD2 4.22Å; Y570-F574 AromaticContact CZ-CD2 3.62Å; Y570-F574 PolarHBondContact O-N 2.77Å; F574-E576 PolarHBondContact O-N 2.83Å; F574-E577 HydrophobicContact CB-CB 4.15Å; F574-E577 HydrophobicContact CB-CG 3.87Å; F574-E577 PolarHBondContact O-N 2.82Å; F574-E577 VanDerWaalsContact O-N 3.16Å
575	S	94.5	Very high	95.8	Very high	72 Å²	72	45.6 Å²	45.6	50%	0.503	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-63.9	-28.4	-173.4	66.8	0	0	0	0	114.3	F571 E577 K578	F571-S575 WeakPolarHBondContact O-CA 3.37Å; S575-E577 VanDerWaalsContact C-N 3.31Å; S575-K578 WeakPolarHBondContact O-CG 3.45Å
576	E	91.3	Very high	95.5	Very high	127 Å²	127	42 Å²	42	59%	0.593	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-76.4	-15.9	178.6	68.9	-77.6	-175.8	0	0	113.4	F574 K578	F574-E576 PolarHBondContact O-N 2.83Å; E576-K578 VanDerWaalsContact C-N 3.3Å
577	E	94.3	Very high	95.2	Very high	15 Å²	15	47.1 Å²	47.1	7%	0.07	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-88.6	5.1	-180	-60.7	-171.2	-170	0	0	112.6	R108 R471 G472 F473 Y570 F571 F574 S575 D579	R108-E577 IonicContact NE-OE1 3.64Å; R108-E577 PolarHBondContact NE-OE1 3.15Å; R471-E577 WeakPolarHBondContact CB-OE2 3.38Å; R471-E577 WeakPolarHBondContact CD-OE1 3.37Å; R471-E577 VanDerWaalsContact CD-OE2 3.31Å; R471-E577 WeakPolarHBondContact CD-OE2 3.31Å; R471-E577 IonicContact NE-OE1 3.62Å; G472-E577 CarbonylContact C-O 3.59Å; G472-E577 PolarHBondContact N-OE2 3.45Å; G472-E577 VanDerWaalsContact N-OE2 3.11Å; F473-E577 WeakPolarHBondContact CA-O 3.3Å; Y570-E577 HydrophobicContact CE1-CB 4.44Å; Y570-E577 WeakPolarHBondContact CE1-OE2 3.34Å; Y570-E577 PolarHBondContact OH-OE2 2.78Å; F571-E577 WeakPolarHBondContact CE1-O 3.44Å; F574-E577 HydrophobicContact CB-CB 4.15Å; F574-E577 HydrophobicContact CB-CG 3.87Å; F574-E577 PolarHBondContact O-N 2.82Å; F574-E577 VanDerWaalsContact O-N 3.16Å; S575-E577 VanDerWaalsContact C-N 3.31Å; E577-D579 VanDerWaalsContact C-N 3.31Å; E577-D579 PolarHBondContact O-N 2.86Å
578	K	95.2	Very high	94.8	Very high	93 Å²	93	48.8 Å²	48.8	40%	0.404	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-64.5	-38.5	175.8	-70	177.3	-178.8	176.8	0	112.1	I474 F571 S575 E576	I474-K578 HydrophobicContact CD1-CB 4.13Å; I474-K578 HydrophobicContact CD1-CD 4.42Å; I474-K578 HydrophobicContact CD1-CG 3.91Å; I474-K578 HydrophobicContact CG1-CB 4.45Å; I474-K578 PolarHBondContact N-O 3.5Å; F571-K578 HydrophobicContact CB-CG 4.24Å; F571-K578 HydrophobicContact CD1-CB 4.41Å; F571-K578 HydrophobicContact CD1-CG 3.6Å; F571-K578 HydrophobicContact CE1-CG 4.32Å; F571-K578 HydrophobicContact CG-CG 4.17Å; S575-K578 WeakPolarHBondContact O-CG 3.45Å; E576-K578 VanDerWaalsContact C-N 3.3Å
579	D	93.8	Very high	94.5	Very high	85 Å²	85	52.2 Å²	52.2	46%	0.455	26%	0.256	S	S	.	.	S	Bend	trans	-80.5	127.9	-177.9	-70.9	-9.4	0	0	0	110	E577 H652 R689	E577-D579 VanDerWaalsContact C-N 3.31Å; E577-D579 PolarHBondContact O-N 2.86Å; D579-H652 IonicContact OD1-CE1 2.68Å; D579-H652 PolarHBondContact OD1-CE1 3.21Å; D579-H652 IonicContact OD2-CE1 2.96Å; D579-R689 IonicContact OD2-NH2 3.6Å
580	P	95.3	Very high	94.3	Very high	4 Å²	4	53 Å²	53	3%	0.026	26%	0.257	C	S	.	.			trans	-65.4	163.7	176.3	26.9	-32.4	0	0	0	111.3	F473 W582 Y651	F473-P580 HydrophobicContact CB-CB 4.04Å; F473-P580 HydrophobicContact CD2-CB 3.98Å; F473-P580 HydrophobicContact CG-CB 4.26Å; P580-W582 HydrophobicContact CB-CD2 3.97Å; P580-W582 HydrophobicContact CB-CE3 3.81Å; P580-W582 HydrophobicContact CB-CH2 3.3Å; P580-W582 HydrophobicContact CB-CZ2 3.45Å; P580-W582 VanDerWaalsContact CB-CZ2 3.45Å; P580-W582 HydrophobicContact CB-CZ3 3.48Å; P580-W582 VanDerWaalsContact CB-CZ3 3.48Å; P580-W582 HydrophobicContact CG-CD2 4.35Å; P580-W582 HydrophobicContact CG-CH2 3.51Å; P580-W582 HydrophobicContact CG-CZ2 3.18Å; P580-W582 HydrophobicContact CG-CZ3 4.19Å; P580-Y651 HydrophobicContact CG-CE1 4.42Å; P580-Y651 VanDerWaalsContact O-CE1 3.27Å; P580-Y651 WeakPolarHBondContact O-CE1 3.42Å
581	L	95.8	Very high	94.1	Very high	27 Å²	27	52.9 Å²	52.9	14%	0.141	26%	0.257	C	S	.	.			trans	-135.2	87.9	169.5	-175.3	70	0	0	0	108	Y461 Q583 R688 R689 A692	Y461-L581 PolarHBondContact OH-N 3.5Å; L581-Q583 PolarHBondContact O-N 3.09Å; L581-Q583 VanDerWaalsContact O-N 3.15Å; L581-Q583 PolarHBondContact O-NE2 3.33Å; L581-Q583 VanDerWaalsContact O-NE2 3.15Å; L581-R688 HydrophobicContact CD1-CG 4.12Å; L581-R688 HydrophobicContact CD2-CG 4.5Å; L581-R689 HydrophobicContact CD1-CG 4.12Å; L581-A692 HydrophobicContact CD1-CB 3.76Å; L581-A692 HydrophobicContact CD2-CB 4.21Å; L581-A692 HydrophobicContact CG-CB 3.74Å
582	W	96.6	Very high	93.9	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.008	28%	0.278	C	S	.	.			trans	-57.9	114.2	-179.9	-51.3	136.7	0	0	0	110.7	Y437 V439 F473 H475 P580 F645 Y651 I655 A692 L693	Y437-W582 HydrophobicContact CE2-CE3 4.04Å; Y437-W582 HydrophobicContact CE2-CZ3 4.3Å; V439-W582 HydrophobicContact CG2-CH2 4.06Å; V439-W582 HydrophobicContact CG2-CZ3 3.83Å; F473-W582 HydrophobicContact CD2-CH2 4.2Å; F473-W582 HydrophobicContact CD2-CZ3 4.23Å; F473-W582 HydrophobicContact CE2-CH2 4.08Å; F473-W582 AromaticContact CE2-CZ3 3.95Å; F473-W582 HydrophobicContact CE2-CZ3 3.95Å; H475-W582 HydrophobicContact CB-CH2 4.25Å; H475-W582 AromaticContact ND1-CH2 3.86Å; H475-W582 AromaticContact ND1-CZ2 3.98Å; P580-W582 HydrophobicContact CB-CD2 3.97Å; P580-W582 HydrophobicContact CB-CE3 3.81Å; P580-W582 HydrophobicContact CB-CH2 3.3Å; P580-W582 HydrophobicContact CB-CZ2 3.45Å; P580-W582 VanDerWaalsContact CB-CZ2 3.45Å; P580-W582 HydrophobicContact CB-CZ3 3.48Å; P580-W582 VanDerWaalsContact CB-CZ3 3.48Å; P580-W582 HydrophobicContact CG-CD2 4.35Å; P580-W582 HydrophobicContact CG-CH2 3.51Å; P580-W582 HydrophobicContact CG-CZ2 3.18Å; P580-W582 HydrophobicContact CG-CZ3 4.19Å; W582-F645 AromaticContact CD1-CZ 3.8Å; W582-Y651 AromaticContact CD1-CE1 3.59Å; W582-Y651 AromaticContact CD1-CE2 3.43Å; W582-Y651 VanDerWaalsContact CD1-CE2 3.43Å; W582-Y651 AromaticContact CD1-CZ 3.2Å; W582-Y651 HydrophobicContact CG-CE1 4.27Å; W582-Y651 HydrophobicContact CG-CE2 4.34Å; W582-Y651 AromaticContact CG-CZ 3.83Å; W582-Y651 PolarHBondContact N-OH 2.94Å; W582-Y651 AromaticContact NE1-CD1 3.92Å; W582-Y651 AromaticContact NE1-CE1 3.65Å; W582-Y651 AromaticContact NE1-CZ 3.77Å; W582-Y651 PolarHBondContact NE1-O 3.05Å; W582-I655 HydrophobicContact CB-CD1 3.91Å; W582-I655 HydrophobicContact CB-CG1 3.77Å; W582-I655 HydrophobicContact CD2-CG1 4.31Å; W582-I655 HydrophobicContact CG-CD1 4.37Å; W582-I655 HydrophobicContact CG-CG1 3.84Å; W582-A692 CarbonylContact O-C 3.52Å; W582-A692 VanDerWaalsContact O-C 3.31Å; W582-A692 VanDerWaalsContact O-CB 3.31Å; W582-A692 WeakPolarHBondContact O-CB 3.27Å; W582-L693 HydrophobicContact CB-CD1 4.39Å; W582-L693 WeakPolarHBondContact O-CA 3.27Å; W582-L693 PolarHBondContact O-N 3.11Å
583	Q	95.4	Very high	93.8	Very high	29 Å²	29	56 Å²	56	14%	0.136	27%	0.273	C	S	.	.			trans	-82.1	160.4	170.4	-53.9	-61.6	-62.1	0	0	110	Y437 P462 H463 L581 P585 A692 L693	Y437-Q583 WeakPolarHBondContact OH-CB 3.45Å; Y437-Q583 VanDerWaalsContact OH-CG 3.28Å; Y437-Q583 WeakPolarHBondContact OH-CG 3.26Å; Y437-Q583 PolarHBondContact OH-N 3.46Å; P462-Q583 HydrophobicContact CB-CG 3.68Å; P462-Q583 WeakPolarHBondContact O-CG 3.35Å; H463-Q583 WeakPolarHBondContact NE2-CG 3.31Å; H463-Q583 PolarHBondContact NE2-OE1 3.23Å; L581-Q583 PolarHBondContact O-N 3.09Å; L581-Q583 VanDerWaalsContact O-N 3.15Å; L581-Q583 PolarHBondContact O-NE2 3.33Å; L581-Q583 VanDerWaalsContact O-NE2 3.15Å; Q583-P585 WeakPolarHBondContact O-CD 3.4Å; Q583-A692 CarbonylContact C-O 3.57Å; Q583-A692 VanDerWaalsContact CA-O 3.32Å; Q583-A692 WeakPolarHBondContact CA-O 3.47Å; Q583-L693 WeakPolarHBondContact O-CD1 3.46Å
584	D	94.7	Very high	93.7	Very high	20 Å²	20	53.3 Å²	53.3	11%	0.107	26%	0.259	C	S	.	.			trans	-66.2	108.1	167.4	-168.8	-16.9	0	0	0	110.4	C586 E587 A692 L693 P695	D584-C586 PolarHBondContact O-N 3.44Å; D584-C586 WeakPolarHBondContact OD1-CB 3.36Å; D584-C586 PolarHBondContact OD1-N 2.82Å; D584-E587 HydrophobicContact CB-CB 4.47Å; D584-E587 HydrophobicContact CB-CG 4Å; D584-E587 PolarHBondContact O-N 3.27Å; D584-A692 PolarHBondContact N-O 3.39Å; D584-L693 VanDerWaalsContact CB-O 3.31Å; D584-L693 WeakPolarHBondContact CB-O 3.47Å; D584-P695 HydrophobicContact CB-CG 4.32Å
585	P	92.3	Very high	93.6	Very high	1 Å²	1	53 Å²	53	1%	0.006	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-12.1	179.1	-19	34.4	0	0	0	113.1	P438 Q583 H591 K592 W595 I655	P438-P585 HydrophobicContact CB-CB 4.42Å; P438-P585 HydrophobicContact CB-CG 4.37Å; P438-P585 HydrophobicContact CG-CB 3.93Å; P438-P585 HydrophobicContact CG-CG 4.35Å; Q583-P585 WeakPolarHBondContact O-CD 3.4Å; P585-H591 HydrophobicContact CB-CB 4.44Å; P585-K592 PolarHBondContact O-N 3.1Å; P585-W595 HydrophobicContact CB-CD2 4.19Å; P585-W595 HydrophobicContact CB-CE3 4.33Å; P585-W595 HydrophobicContact CG-CZ2 4.28Å; P585-I655 HydrophobicContact CG-CD1 4.04Å
586	C	91.4	Very high	93.3	Very high	26 Å²	26	49.8 Å²	49.8	18%	0.176	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-21.4	-174.6	-57.5	0	0	0	0	113.7	D584 C601	D584-C586 PolarHBondContact O-N 3.44Å; D584-C586 WeakPolarHBondContact OD1-CB 3.36Å; D584-C586 PolarHBondContact OD1-N 2.82Å; C586-C601 HydrophobicContact CB-CB 3.8Å; C586-C601 WeakPolarHBondContact CB-SG 3.3Å; C586-C601 VanDerWaalsContact SG-CA 3.51Å; C586-C601 WeakPolarHBondContact SG-CB 3.09Å; C586-C601 CovalentContact SG-SG 2Å; C586-C601 PolarHBondContact SG-SG 2.91Å
587	E	91.8	Very high	93.1	Very high	108 Å²	108	52.5 Å²	52.5	51%	0.505	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-22.8	176.6	-65.7	-62.8	109.7	0	0	112.1	D584 P695 K696	D584-E587 HydrophobicContact CB-CB 4.47Å; D584-E587 HydrophobicContact CB-CG 4Å; D584-E587 PolarHBondContact O-N 3.27Å; E587-P695 HydrophobicContact CG-CG 4.3Å; E587-K696 WeakPolarHBondContact OE1-CE 3.4Å; E587-K696 IonicContact OE1-NZ 2.74Å; E587-K696 PolarHBondContact OE1-NZ 2.98Å; E587-K696 VanDerWaalsContact OE2-CE 3.27Å; E587-K696 WeakPolarHBondContact OE2-CE 3.19Å; E587-K696 IonicContact OE2-NZ 3.18Å; E587-K696 PolarHBondContact OE2-NZ 3.24Å
588	D	91.1	Very high	92.6	Very high	34 Å²	34	57.8 Å²	57.8	18%	0.182	27%	0.269	C	S	.	.	S	Bend	trans	-102.9	118.3	175.6	-173.3	-59.1	0	0	0	110.5	H463 R590 H591 K592	H463-D588 IonicContact ND1-OD2 3.11Å; D588-R590 VanDerWaalsContact C-N 3.3Å; D588-R590 PolarHBondContact O-N 2.85Å; D588-R590 VanDerWaalsContact OD1-CA 3.32Å; D588-R590 WeakPolarHBondContact OD1-CA 3.36Å; D588-R590 VanDerWaalsContact OD1-CB 3.22Å; D588-R590 WeakPolarHBondContact OD1-CB 3.49Å; D588-R590 PolarHBondContact OD1-N 2.86Å; D588-H591 HydrophobicContact CB-CB 3.99Å; D588-H591 PolarHBondContact O-N 3.03Å; D588-H591 IonicContact OD1-CG 3.43Å; D588-H591 PolarHBondContact OD1-N 2.83Å; D588-K592 WeakPolarHBondContact O-CB 3.37Å; D588-K592 PolarHBondContact O-N 3.01Å
589	K	92.6	Very high	92.3	Very high	165 Å²	165	55.1 Å²	55.1	72%	0.717	26%	0.258	S	S	*	.	H	α-helix	trans	-58.1	-42.5	-179.8	-179	-178.1	175.2	-174.6	0	111.9	K592 D593	K589-K592 PolarHBondContact O-N 2.84Å; K589-D593 WeakPolarHBondContact O-CB 3.36Å; K589-D593 PolarHBondContact O-N 3Å
590	R	92.8	Very high	92	Very high	80 Å²	80	53.3 Å²	53.3	30%	0.302	25%	0.249	S	C	.	.	H	α-helix	trans	-66.2	-45.7	-178.3	172.9	61.7	176.9	171	2.9	110.1	H432 E460 D588 K592 D593 I594	H432-R590 PolarHBondContact O-NH2 3.15Å; E460-R590 IonicContact OE1-CZ 3.37Å; E460-R590 IonicContact OE1-NE 2.67Å; E460-R590 PolarHBondContact OE1-NE 2.71Å; E460-R590 IonicContact OE1-NH2 3.88Å; E460-R590 PolarHBondContact OE1-NH2 3.28Å; E460-R590 WeakPolarHBondContact OE2-CG 3.46Å; D588-R590 VanDerWaalsContact C-N 3.3Å; D588-R590 PolarHBondContact O-N 2.85Å; D588-R590 VanDerWaalsContact OD1-CA 3.32Å; D588-R590 WeakPolarHBondContact OD1-CA 3.36Å; D588-R590 VanDerWaalsContact OD1-CB 3.22Å; D588-R590 WeakPolarHBondContact OD1-CB 3.49Å; D588-R590 PolarHBondContact OD1-N 2.86Å; R590-K592 VanDerWaalsContact C-N 3.33Å; R590-K592 PolarHBondContact O-N 2.7Å; R590-D593 PolarHBondContact O-N 2.68Å; R590-I594 WeakPolarHBondContact O-CG1 3.34Å; R590-I594 PolarHBondContact O-N 2.79Å
591	H	94.6	Very high	91.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-43.7	175.9	-69.6	167.7	0	0	0	112.1	Y437 P438 E460 P462 H463 P585 D588 D593 I594 W595	Y437-H591 AromaticContact CD1-NE2 3.9Å; Y437-H591 AromaticContact CE1-CE1 3.55Å; Y437-H591 AromaticContact CE1-ND1 3.89Å; Y437-H591 AromaticContact CE1-NE2 3.93Å; P438-H591 HydrophobicContact CG-CB 3.65Å; E460-H591 PolarHBondContact O-CE1 2.92Å; E460-H591 PolarHBondContact O-NE2 3.05Å; E460-H591 IonicContact OE2-CD2 3.89Å; E460-H591 IonicContact OE2-NE2 3.78Å; P462-H591 PolarHBondContact O-CE1 3.44Å; H463-H591 AromaticContact ND1-CE1 3.77Å; P585-H591 HydrophobicContact CB-CB 4.44Å; D588-H591 HydrophobicContact CB-CB 3.99Å; D588-H591 PolarHBondContact O-N 3.03Å; D588-H591 IonicContact OD1-CG 3.43Å; D588-H591 PolarHBondContact OD1-N 2.83Å; H591-D593 VanDerWaalsContact C-N 3.34Å; H591-D593 PolarHBondContact O-N 3.04Å; H591-I594 CarbonylContact O-C 3.54Å; H591-I594 PolarHBondContact O-N 3.43Å; H591-W595 WeakPolarHBondContact O-CB 3.33Å; H591-W595 PolarHBondContact O-N 2.86Å
592	K	93.1	Very high	91.3	Very high	115 Å²	115	57.9 Å²	57.9	50%	0.5	28%	0.276	S	S	.	.	H	α-helix	trans	-60.1	-42.6	175.7	-169.3	177.5	-178.5	174.3	0	112.3	P585 D588 K589 R590 I594 W595	P585-K592 PolarHBondContact O-N 3.1Å; D588-K592 WeakPolarHBondContact O-CB 3.37Å; D588-K592 PolarHBondContact O-N 3.01Å; K589-K592 PolarHBondContact O-N 2.84Å; R590-K592 VanDerWaalsContact C-N 3.33Å; R590-K592 PolarHBondContact O-N 2.7Å; K592-I594 VanDerWaalsContact C-N 3.28Å; K592-I594 PolarHBondContact O-N 2.73Å; K592-W595 PolarHBondContact O-N 2.81Å
593	D	93.3	Very high	91	Very high	96 Å²	96	60.3 Å²	60.3	51%	0.513	29%	0.286	S	S	.	.	H	α-helix	trans	-66	-29.6	-179	-71.4	-17.9	0	0	0	112.6	K589 R590 H591	K589-D593 WeakPolarHBondContact O-CB 3.36Å; K589-D593 PolarHBondContact O-N 3Å; R590-D593 PolarHBondContact O-N 2.68Å; H591-D593 VanDerWaalsContact C-N 3.34Å; H591-D593 PolarHBondContact O-N 3.04Å
594	I	93.6	Very high	90.9	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.01	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	12.3	178.6	71.3	-176.6	0	0	0	113.5	H397 E460 R590 H591 K592	H397-I594 VanDerWaalsContact CB-O 3.22Å; H397-I594 WeakPolarHBondContact CB-O 3.49Å; H397-I594 VanDerWaalsContact CG-O 3.29Å; E460-I594 HydrophobicContact CG-CD1 4.01Å; R590-I594 WeakPolarHBondContact O-CG1 3.34Å; R590-I594 PolarHBondContact O-N 2.79Å; H591-I594 CarbonylContact O-C 3.54Å; H591-I594 PolarHBondContact O-N 3.43Å; K592-I594 VanDerWaalsContact C-N 3.28Å; K592-I594 PolarHBondContact O-N 2.73Å
595	W	92.4	Very high	91	Very high	13 Å²	13	58.7 Å²	58.7	5%	0.049	28%	0.278	C	S	.	.	S	Bend	trans	-91.6	152.8	172.9	-158.9	40.3	0	0	0	110.5	H397 P438 P585 H591 K592 K597 K599 F604 M659	H397-W595 PolarHBondContact CD2-O 2.84Å; P438-W595 HydrophobicContact CB-CG 4.49Å; P585-W595 HydrophobicContact CB-CD2 4.19Å; P585-W595 HydrophobicContact CB-CE3 4.33Å; P585-W595 HydrophobicContact CG-CZ2 4.28Å; H591-W595 WeakPolarHBondContact O-CB 3.33Å; H591-W595 PolarHBondContact O-N 2.86Å; K592-W595 PolarHBondContact O-N 2.81Å; W595-K597 PolarHBondContact O-N 2.93Å; W595-K599 HydrophobicContact CD2-CB 3.82Å; W595-K599 HydrophobicContact CD2-CD 4.01Å; W595-K599 HydrophobicContact CE3-CB 3.84Å; W595-K599 HydrophobicContact CG-CD 4.33Å; W595-K599 HydrophobicContact CH2-CB 3.6Å; W595-K599 HydrophobicContact CH2-CD 4.48Å; W595-K599 HydrophobicContact CZ2-CB 3.57Å; W595-K599 HydrophobicContact CZ2-CD 3.58Å; W595-K599 HydrophobicContact CZ2-CG 4.15Å; W595-K599 HydrophobicContact CZ3-CB 3.74Å; W595-F604 HydrophobicContact CH2-CE2 4.32Å; W595-M659 HydrophobicContact CH2-CE 3.75Å; W595-M659 HydrophobicContact CH2-SD 3.8Å; W595-M659 HydrophobicContact CZ2-CE 4.13Å; W595-M659 HydrophobicContact CZ2-SD 3.64Å
596	S	88.9	Confident	91.2	Very high	4 Å²	4	62.6 Å²	62.6	3%	0.028	29%	0.294	C	S	.	.			trans	-62.3	134.1	180	172.1	0	0	0	0	110.7	E598 K599	S596-E598 PolarHBondContact O-N 3.07Å; S596-E598 VanDerWaalsContact O-N 3.15Å; S596-E598 PolarHBondContact OG-N 3.14Å; S596-K599 WeakPolarHBondContact O-CB 3.31Å; S596-K599 PolarHBondContact O-N 3.29Å
597	K	86.9	Confident	91.5	Very high	183 Å²	183	61.4 Å²	61.4	80%	0.796	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-16.7	179.7	-67.4	-176	178.4	178	0	114.2	W595 K599	W595-K597 PolarHBondContact O-N 2.93Å; K597-K599 PolarHBondContact O-N 2.96Å
598	E	84.3	Confident	91.9	Very high	126 Å²	126	56.2 Å²	56.2	59%	0.589	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.8	175.2	-66.2	171.1	149.9	0	0	112.4	H400 S596	H400-E598 IonicContact CE1-OE1 3.46Å; H400-E598 IonicContact CE1-OE2 2.8Å; H400-E598 IonicContact CG-OE1 3.57Å; H400-E598 IonicContact CG-OE2 3.88Å; H400-E598 IonicContact ND1-OE1 3.9Å; H400-E598 PolarHBondContact ND1-OE1 3.03Å; H400-E598 VanDerWaalsContact ND1-OE1 3.17Å; H400-E598 IonicContact ND1-OE2 3.23Å; H400-E598 PolarHBondContact ND1-OE2 3.27Å; S596-E598 PolarHBondContact O-N 3.07Å; S596-E598 VanDerWaalsContact O-N 3.15Å; S596-E598 PolarHBondContact OG-N 3.14Å
599	K	88.3	Confident	92.2	Very high	38 Å²	38	54.6 Å²	54.6	17%	0.165	25%	0.253	C	S	.	.			trans	-96.7	140.5	-179.7	-57.9	177.3	-176.3	-177.5	0	109.5	W595 S596 K597 D656 M659	W595-K599 HydrophobicContact CD2-CB 3.82Å; W595-K599 HydrophobicContact CD2-CD 4.01Å; W595-K599 HydrophobicContact CE3-CB 3.84Å; W595-K599 HydrophobicContact CG-CD 4.33Å; W595-K599 HydrophobicContact CH2-CB 3.6Å; W595-K599 HydrophobicContact CH2-CD 4.48Å; W595-K599 HydrophobicContact CZ2-CB 3.57Å; W595-K599 HydrophobicContact CZ2-CD 3.58Å; W595-K599 HydrophobicContact CZ2-CG 4.15Å; W595-K599 HydrophobicContact CZ3-CB 3.74Å; S596-K599 WeakPolarHBondContact O-CB 3.31Å; S596-K599 PolarHBondContact O-N 3.29Å; K597-K599 PolarHBondContact O-N 2.96Å; K599-D656 VanDerWaalsContact CE-OD1 3.29Å; K599-D656 WeakPolarHBondContact CE-OD1 3.11Å; K599-D656 WeakPolarHBondContact CE-OD2 3.49Å; K599-D656 IonicContact NZ-OD1 3.45Å; K599-D656 PolarHBondContact NZ-OD1 2.82Å; K599-D656 IonicContact NZ-OD2 3.44Å; K599-D656 PolarHBondContact NZ-OD2 3.42Å; K599-M659 HydrophobicContact CB-CE 4.21Å
600	T	87.9	Confident	92.5	Very high	46 Å²	46	46.9 Å²	46.9	28%	0.282	22%	0.22	S	C	.	.			trans	-133.3	143.5	178.4	177.7	0	0	0	0	111.1	D602 R603 M659 P665	T600-D602 HydrophobicContact CG2-CB 4.48Å; T600-D602 PolarHBondContact O-N 3.02Å; T600-D602 PolarHBondContact OG1-N 2.8Å; T600-D602 PolarHBondContact OG1-OD2 3.19Å; T600-R603 HydrophobicContact CG2-CB 4.12Å; T600-R603 WeakPolarHBondContact O-CB 3.29Å; T600-R603 PolarHBondContact O-N 2.79Å; T600-M659 WeakPolarHBondContact O-CE 3.39Å; T600-P665 HydrophobicContact CG2-CG 3.76Å
601	C	87.3	Confident	92.8	Very high	36 Å²	36	43.1 Å²	43.1	24%	0.243	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-61.7	-29.1	175	-50.5	0	0	0	0	112.2	C586 R603 F604	C586-C601 HydrophobicContact CB-CB 3.8Å; C586-C601 WeakPolarHBondContact CB-SG 3.3Å; C586-C601 VanDerWaalsContact SG-CA 3.51Å; C586-C601 WeakPolarHBondContact SG-CB 3.09Å; C586-C601 CovalentContact SG-SG 2Å; C586-C601 PolarHBondContact SG-SG 2.91Å; C601-R603 PolarHBondContact O-N 2.72Å; C601-R603 VanDerWaalsContact O-N 3.12Å; C601-F604 PolarHBondContact O-N 3.23Å
602	D	88.2	Confident	93	Very high	92 Å²	92	43.1 Å²	43.1	49%	0.492	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-67.8	-13.9	-177.4	-61.9	-42.9	0	0	0	112.6	T600 F604 P665 Y673	T600-D602 HydrophobicContact CG2-CB 4.48Å; T600-D602 PolarHBondContact O-N 3.02Å; T600-D602 PolarHBondContact OG1-N 2.8Å; T600-D602 PolarHBondContact OG1-OD2 3.19Å; D602-F604 VanDerWaalsContact C-N 3.33Å; D602-P665 HydrophobicContact CB-CB 4.11Å; D602-P665 HydrophobicContact CB-CG 3.71Å; D602-Y673 WeakPolarHBondContact O-CD2 3.41Å; D602-Y673 WeakPolarHBondContact O-CE2 3.37Å
603	R	90.5	Very high	93.2	Very high	53 Å²	53	39 Å²	39	20%	0.2	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-80.9	-10.2	177.9	-163.7	163	-176.8	-161.4	-3.1	113.5	T600 C601 M659 F662 P663 P665	T600-R603 HydrophobicContact CG2-CB 4.12Å; T600-R603 WeakPolarHBondContact O-CB 3.29Å; T600-R603 PolarHBondContact O-N 2.79Å; C601-R603 PolarHBondContact O-N 2.72Å; C601-R603 VanDerWaalsContact O-N 3.12Å; R603-M659 HydrophobicContact CB-CE 3.93Å; R603-M659 HydrophobicContact CG-CE 4.36Å; R603-M659 VanDerWaalsContact CZ-O 3.28Å; R603-M659 PolarHBondContact NE-O 2.98Å; R603-M659 PolarHBondContact NH2-O 3.08Å; R603-F662 HydrophobicContact CG-CB 3.89Å; R603-F662 VanDerWaalsContact CZ-O 3.31Å; R603-F662 PolarHBondContact NE-O 3.39Å; R603-F662 PolarHBondContact NH2-O 2.8Å; R603-F662 VanDerWaalsContact O-CB 3.24Å; R603-F662 WeakPolarHBondContact O-CB 3.41Å; R603-F662 WeakPolarHBondContact O-CG 3.46Å; R603-P663 WeakPolarHBondContact CG-O 3.23Å; R603-P665 HydrophobicContact CB-CG 4.18Å
604	F	93.6	Very high	93.4	Very high	12 Å²	12	36.7 Å²	36.7	5%	0.053	17%	0.174	C	C	.	.	S	Bend	trans	-78.2	146.7	177.3	-76.1	-53.3	0	0	0	112.9	W595 C601 D602 I655 Y658 M659 L693 L694	W595-F604 HydrophobicContact CH2-CE2 4.32Å; C601-F604 PolarHBondContact O-N 3.23Å; D602-F604 VanDerWaalsContact C-N 3.33Å; F604-I655 HydrophobicContact CE1-CG2 3.74Å; F604-I655 HydrophobicContact CZ-CG2 3.5Å; F604-Y658 HydrophobicContact CD1-CD1 4.3Å; F604-Y658 HydrophobicContact CD1-CE1 4.43Å; F604-Y658 HydrophobicContact CE1-CD1 4.31Å; F604-M659 HydrophobicContact CD1-CG 4.25Å; F604-M659 HydrophobicContact CE1-CG 3.68Å; F604-M659 HydrophobicContact CE1-SD 4.19Å; F604-M659 HydrophobicContact CZ-CG 4.18Å; F604-M659 HydrophobicContact CZ-SD 4.06Å; F604-L693 HydrophobicContact CE1-CD1 4.11Å; F604-L693 HydrophobicContact CE1-CD2 4.21Å; F604-L693 HydrophobicContact CE1-CG 4.28Å; F604-L693 HydrophobicContact CE2-CD1 4.48Å; F604-L693 HydrophobicContact CZ-CD1 3.83Å; F604-L693 HydrophobicContact CZ-CG 4.44Å; F604-L694 HydrophobicContact CB-CD2 3.67Å; F604-L694 HydrophobicContact CD1-CD2 3.87Å; F604-L694 HydrophobicContact CD2-CD2 4.46Å; F604-L694 HydrophobicContact CG-CD2 3.77Å
605	P	96.1	Very high	93.6	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.019	18%	0.175	C	C	.	.			trans	-68.9	135.4	174	28.3	-31.5	0	0	0	111.4	L608 Y658 F662 Y673 L694	P605-L608 HydrophobicContact CG-CD2 4.21Å; P605-Y658 HydrophobicContact CG-CE1 3.85Å; P605-Y658 WeakPolarHBondContact CG-OH 3.48Å; P605-F662 HydrophobicContact CB-CE1 3.73Å; P605-F662 HydrophobicContact CB-CZ 3.72Å; P605-F662 HydrophobicContact CG-CE1 4Å; P605-F662 HydrophobicContact CG-CE2 3.93Å; P605-F662 HydrophobicContact CG-CZ 3.44Å; P605-F662 VanDerWaalsContact CG-CZ 3.44Å; P605-Y673 CarbonylContact C-O 3.59Å; P605-Y673 WeakPolarHBondContact CA-O 3.21Å; P605-L694 HydrophobicContact CG-CD1 3.89Å
606	K	96.5	Very high	93.8	Very high	83 Å²	83	37.7 Å²	37.7	36%	0.361	19%	0.187	S	C	.	.	S	Bend	trans	-91.6	-12	175.8	-64.9	172.4	-175.5	162.9	0	111.9	D671 F672 Y673 A697 K698	K606-D671 PolarHBondContact NZ-O 3.29Å; K606-F672 HydrophobicContact CB-CD1 4.17Å; K606-F672 HydrophobicContact CB-CD2 3.99Å; K606-F672 HydrophobicContact CB-CE1 3.79Å; K606-F672 HydrophobicContact CB-CE2 3.59Å; K606-F672 HydrophobicContact CB-CG 4.26Å; K606-F672 HydrophobicContact CB-CZ 3.47Å; K606-F672 VanDerWaalsContact CB-CZ 3.47Å; K606-F672 HydrophobicContact CD-CD2 3.67Å; K606-F672 HydrophobicContact CD-CE2 3.98Å; K606-F672 HydrophobicContact CD-CG 4.12Å; K606-F672 HydrophobicContact CG-CD2 4.46Å; K606-F672 HydrophobicContact CG-CE2 4.42Å; K606-Y673 PolarHBondContact N-O 3.17Å; K606-A697 WeakPolarHBondContact O-CA 3.38Å; K606-K698 PolarHBondContact O-N 3.1Å
607	L	98.5	Very high	94.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	133	176.7	170.5	69.4	0	0	0	111.9	I609 L624 F672 Y673 F674 E675 K698 L700 L796	L607-I609 HydrophobicContact CD2-CG1 4.27Å; L607-I609 HydrophobicContact CG-CG1 4.34Å; L607-L624 HydrophobicContact CD2-CD1 3.98Å; L607-F672 HydrophobicContact CB-CE1 3.68Å; L607-F672 HydrophobicContact CB-CZ 4.15Å; L607-Y673 PolarHBondContact N-O 3.28Å; L607-F674 HydrophobicContact CB-CB 3.73Å; L607-F674 HydrophobicContact CD2-CB 3.92Å; L607-F674 HydrophobicContact CD2-CG 4.44Å; L607-F674 HydrophobicContact CG-CB 4.04Å; L607-F674 VanDerWaalsContact O-CA 3.3Å; L607-F674 WeakPolarHBondContact O-CA 3.11Å; L607-E675 PolarHBondContact O-N 2.93Å; L607-E675 VanDerWaalsContact O-N 3.13Å; L607-K698 CarbonylContact C-O 3.54Å; L607-K698 WeakPolarHBondContact CA-O 3.09Å; L607-K698 HydrophobicContact CD1-CB 3.96Å; L607-L700 HydrophobicContact CD1-CB 3.81Å; L607-L700 HydrophobicContact CD1-CD1 4.39Å; L607-L796 HydrophobicContact CB-CD2 4.14Å; L607-L796 HydrophobicContact CD1-CD2 3.99Å; L607-L796 HydrophobicContact CD2-CD1 4.12Å; L607-L796 HydrophobicContact CD2-CD2 3.87Å; L607-L796 HydrophobicContact CG-CD2 4.22Å
608	L	98.9	Very high	94.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.9	170.8	-57.9	-179.5	0	0	0	110.5	P605 I610 F646 E675 A690 L694 A697 K698 L700	P605-L608 HydrophobicContact CG-CD2 4.21Å; L608-I610 HydrophobicContact CB-CG2 3.99Å; L608-I610 PolarHBondContact O-N 3.12Å; L608-F646 HydrophobicContact CD1-CE2 4.2Å; L608-F646 HydrophobicContact CD2-CE2 4.35Å; L608-E675 HydrophobicContact CD2-CG 3.53Å; L608-A690 HydrophobicContact CD1-CB 3.87Å; L608-L694 HydrophobicContact CD1-CD1 4.18Å; L608-L694 HydrophobicContact CD2-CD1 4Å; L608-L694 HydrophobicContact CG-CD1 4.4Å; L608-A697 HydrophobicContact CG-CB 4.45Å; L608-K698 PolarHBondContact N-O 2.65Å; L608-L700 PolarHBondContact O-N 3.42Å
609	I	98.9	Very high	95.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	98.3	169.9	-56.7	167.7	0	0	0	108.2	L607 L620 L624 F674 E675 K676 S677 L700	L607-I609 HydrophobicContact CD2-CG1 4.27Å; L607-I609 HydrophobicContact CG-CG1 4.34Å; I609-L620 HydrophobicContact CD1-CD2 4.08Å; I609-L620 HydrophobicContact CD1-CG 4.31Å; I609-L620 HydrophobicContact CG1-CD2 4.41Å; I609-L620 HydrophobicContact CG2-CD2 4.22Å; I609-L624 HydrophobicContact CD1-CD1 3.8Å; I609-F674 HydrophobicContact CD1-CD2 4.08Å; I609-F674 HydrophobicContact CD1-CE2 4.44Å; I609-E675 PolarHBondContact N-O 3.12Å; I609-K676 HydrophobicContact CB-CB 3.82Å; I609-K676 HydrophobicContact CB-CG 3.79Å; I609-K676 HydrophobicContact CD1-CB 4.23Å; I609-K676 HydrophobicContact CG2-CB 4.29Å; I609-K676 HydrophobicContact CG2-CG 3.69Å; I609-K676 WeakPolarHBondContact O-CA 3.41Å; I609-S677 PolarHBondContact O-N 2.89Å; I609-L700 CarbonylContact C-O 3.55Å; I609-L700 WeakPolarHBondContact CA-O 3.33Å; I609-L700 HydrophobicContact CG2-CD2 4.31Å
610	I	98.8	Very high	95.8	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.015	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-11.5	-163.9	61.9	165.3	0	0	0	114.2	L608 S677 A678 Y680 F681 V699 L700 W764	L608-I610 HydrophobicContact CB-CG2 3.99Å; L608-I610 PolarHBondContact O-N 3.12Å; I610-S677 CarbonylContact C-O 3.5Å; I610-A678 CarbonylContact O-C 3.56Å; I610-A678 WeakPolarHBondContact O-CA 3.47Å; I610-Y680 HydrophobicContact CG2-CD2 4.24Å; I610-Y680 PolarHBondContact O-N 2.93Å; I610-F681 HydrophobicContact CD1-CD2 3.84Å; I610-F681 HydrophobicContact CG1-CB 4.44Å; I610-F681 HydrophobicContact CG1-CD2 4.23Å; I610-F681 VanDerWaalsContact O-CB 3.26Å; I610-F681 WeakPolarHBondContact O-CB 3.27Å; I610-F681 PolarHBondContact O-N 2.89Å; I610-V699 HydrophobicContact CD1-CG1 3.63Å; I610-V699 HydrophobicContact CG1-CG1 4.02Å; I610-V699 HydrophobicContact CG2-CG1 3.85Å; I610-L700 WeakPolarHBondContact CG1-O 3.32Å; I610-L700 PolarHBondContact N-O 3.43Å; I610-W764 HydrophobicContact CB-CH2 4.43Å; I610-W764 HydrophobicContact CB-CZ2 4.12Å; I610-W764 HydrophobicContact CD1-CD2 3.61Å; I610-W764 HydrophobicContact CD1-CE3 4.24Å; I610-W764 HydrophobicContact CD1-CG 3.8Å; I610-W764 HydrophobicContact CD1-CZ2 4.12Å; I610-W764 HydrophobicContact CG2-CE3 4.47Å; I610-W764 HydrophobicContact CG2-CH2 3.58Å; I610-W764 HydrophobicContact CG2-CZ2 3.78Å; I610-W764 HydrophobicContact CG2-CZ3 3.94Å
611	G	98.3	Very high	96.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115.2	-142.6	-178.8	0	0	0	0	0	113.5	T701 I702	G611-T701 WeakPolarHBondContact O-CA 3.26Å; G611-T701 PolarHBondContact O-OG1 3.41Å; G611-I702 PolarHBondContact O-N 2.89Å
612	P	98.4	Very high	96.7	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.124	C	C	.	.			cis	-67.6	175.5	-7.9	20.9	-27.9	0	0	0	113.6	T615 T617 F681 I702 L703 Y757	P612-T615 HydrophobicContact CG-CG2 3.77Å; P612-T615 PolarHBondContact O-OG1 3.46Å; P612-T617 WeakPolarHBondContact O-CG2 3.27Å; P612-F681 HydrophobicContact CB-CB 4.18Å; P612-F681 HydrophobicContact CB-CD1 3.56Å; P612-F681 HydrophobicContact CB-CE1 4.1Å; P612-F681 HydrophobicContact CB-CG 3.97Å; P612-F681 HydrophobicContact CG-CD1 3.79Å; P612-F681 HydrophobicContact CG-CE1 3.86Å; P612-F681 HydrophobicContact CG-CG 4.19Å; P612-F681 HydrophobicContact CG-CZ 4.36Å; P612-I702 WeakPolarHBondContact CD-O 3.48Å; P612-L703 HydrophobicContact CG-CD2 4.4Å; P612-Y757 HydrophobicContact CG-CD1 4.33Å; P612-Y757 HydrophobicContact CG-CE1 3.84Å
613	Q	97.9	Very high	97.1	Very high	29 Å²	29	19.9 Å²	19.9	14%	0.136	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	147.4	172.7	-61.3	178.4	-59.2	0	0	111.2	T615 A678 N679 R709 W713 R750	Q613-T615 PolarHBondContact O-N 3.34Å; Q613-A678 HydrophobicContact CB-CB 4.33Å; Q613-A678 HydrophobicContact CG-CB 3.68Å; Q613-N679 PolarHBondContact NE2-OD1 2.88Å; Q613-R709 PolarHBondContact O-NE 2.89Å; Q613-W713 HydrophobicContact CB-CE3 4.32Å; Q613-W713 HydrophobicContact CB-CZ3 4.31Å; Q613-W713 VanDerWaalsContact CD-CZ3 3.42Å; Q613-W713 HydrophobicContact CG-CZ3 4.46Å; Q613-R750 VanDerWaalsContact OE1-NH2 3.1Å
614	K	97.3	Very high	97.3	Very high	47 Å²	47	17.3 Å²	17.3	20%	0.204	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	13.1	172.6	-43.9	-52.3	-57.4	-174.7	0	116.4	I704 R709 S712 W713 H716	K614-I704 WeakPolarHBondContact O-CD1 3.44Å; K614-R709 HydrophobicContact CB-CG 4.47Å; K614-S712 VanDerWaalsContact CE-O 3.3Å; K614-S712 WeakPolarHBondContact CE-O 3.25Å; K614-S712 VanDerWaalsContact CE-OG 3.26Å; K614-S712 WeakPolarHBondContact CE-OG 3.5Å; K614-W713 HydrophobicContact CD-CE3 3.95Å; K614-W713 HydrophobicContact CG-CB 4.08Å; K614-W713 HydrophobicContact CG-CE3 3.89Å; K614-H716 HydrophobicContact CD-CB 4.23Å; K614-H716 PolarHBondContact NZ-CD2 2.81Å
615	T	97.9	Very high	97.4	Very high	6 Å²	6	18.7 Å²	18.7	4%	0.037	11%	0.111	C	C	.	.	S	Bend	trans	-101.8	0.6	-177.5	60.6	0	0	0	0	115.2	P612 Q613 I702 I704 R709	P612-T615 HydrophobicContact CG-CG2 3.77Å; P612-T615 PolarHBondContact O-OG1 3.46Å; Q613-T615 PolarHBondContact O-N 3.34Å; T615-I702 WeakPolarHBondContact CB-O 3.29Å; T615-I702 WeakPolarHBondContact CG2-O 3.39Å; T615-I702 WeakPolarHBondContact O-CG2 3.34Å; T615-I702 PolarHBondContact OG1-O 3.29Å; T615-I704 HydrophobicContact CG2-CG1 4.1Å; T615-R709 HydrophobicContact CG2-CG 4.11Å
616	G	96.6	Very high	97.3	Very high	30 Å²	30	20.6 Å²	20.6	31%	0.309	12%	0.12	S	C	.	.	S	Bend	trans	108.9	9.8	-179.4	0	0	0	0	0	114.8	T618 A619 L620	G616-T618 VanDerWaalsContact C-N 3.28Å; G616-T618 PolarHBondContact O-N 2.84Å; G616-T618 VanDerWaalsContact O-N 3.12Å; G616-A619 WeakPolarHBondContact O-CA 3.36Å; G616-A619 VanDerWaalsContact O-CB 3.3Å; G616-A619 WeakPolarHBondContact O-CB 3.22Å; G616-A619 PolarHBondContact O-N 2.93Å; G616-L620 PolarHBondContact O-N 2.84Å; G616-L620 VanDerWaalsContact O-N 3.14Å
617	T	97.4	Very high	97.1	Very high	7 Å²	7	16.8 Å²	16.8	4%	0.043	10%	0.103	C	C	.	.	H	α-helix	trans	-50.5	-38.8	-177.6	60.3	0	0	0	0	115.3	P612 Y621 K676 A678 I702	P612-T617 WeakPolarHBondContact O-CG2 3.27Å; T617-Y621 VanDerWaalsContact O-CB 3.29Å; T617-Y621 WeakPolarHBondContact O-CB 3.32Å; T617-Y621 PolarHBondContact O-N 3.38Å; T617-K676 WeakPolarHBondContact OG1-CE 3.49Å; T617-K676 PolarHBondContact OG1-NZ 3.26Å; T617-A678 HydrophobicContact CG2-CB 4.24Å; T617-I702 HydrophobicContact CG2-CD1 4.14Å
618	T	97.1	Very high	96.8	Very high	15 Å²	15	21.5 Å²	21.5	9%	0.092	13%	0.134	C	C	.	.	H	α-helix	trans	-72.4	-31.8	179.4	-52.8	0	0	0	0	111.5	G616 L622 E641 L829 K833	G616-T618 VanDerWaalsContact C-N 3.28Å; G616-T618 PolarHBondContact O-N 2.84Å; G616-T618 VanDerWaalsContact O-N 3.12Å; T618-L622 WeakPolarHBondContact O-CG 3.44Å; T618-L622 PolarHBondContact O-N 2.96Å; T618-E641 WeakPolarHBondContact CG2-OE1 3.46Å; T618-E641 PolarHBondContact OG1-OE1 3.4Å; T618-L829 HydrophobicContact CG2-CD2 3.9Å; T618-K833 HydrophobicContact CG2-CD 4.42Å; T618-K833 PolarHBondContact OG1-NZ 2.81Å
619	A	96.9	Very high	96.4	Very high	16 Å²	16	23.1 Å²	23.1	13%	0.132	14%	0.142	C	C	.	.	H	α-helix	trans	-65.3	-49.6	174.2	0	0	0	0	0	110	G616 Y621 L622 F623 L829	G616-A619 WeakPolarHBondContact O-CA 3.36Å; G616-A619 VanDerWaalsContact O-CB 3.3Å; G616-A619 WeakPolarHBondContact O-CB 3.22Å; G616-A619 PolarHBondContact O-N 2.93Å; A619-Y621 PolarHBondContact O-N 3.11Å; A619-L622 PolarHBondContact O-N 2.91Å; A619-F623 HydrophobicContact CB-CE2 4.08Å; A619-F623 HydrophobicContact CB-CZ 4.36Å; A619-F623 WeakPolarHBondContact O-CD2 3.27Å; A619-F623 WeakPolarHBondContact O-CG 3.22Å; A619-F623 PolarHBondContact O-N 3.28Å; A619-L829 HydrophobicContact CB-CD1 3.74Å
620	L	98.1	Very high	96.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.3	-47.1	176.2	-179.6	67.2	0	0	0	112	I609 G616 L622 F623 L624 L700 I702 L776 L781 M789 V792	I609-L620 HydrophobicContact CD1-CD2 4.08Å; I609-L620 HydrophobicContact CD1-CG 4.31Å; I609-L620 HydrophobicContact CG1-CD2 4.41Å; I609-L620 HydrophobicContact CG2-CD2 4.22Å; G616-L620 PolarHBondContact O-N 2.84Å; G616-L620 VanDerWaalsContact O-N 3.14Å; L620-L622 VanDerWaalsContact C-N 3.34Å; L620-L622 PolarHBondContact O-N 3.34Å; L620-F623 PolarHBondContact O-N 3.05Å; L620-L624 HydrophobicContact CD1-CD1 4.13Å; L620-L624 HydrophobicContact CD1-CG 4.23Å; L620-L624 HydrophobicContact CG-CD1 3.99Å; L620-L624 HydrophobicContact CG-CG 4.47Å; L620-L624 WeakPolarHBondContact O-CB 3.47Å; L620-L624 PolarHBondContact O-N 3.02Å; L620-L700 HydrophobicContact CD2-CD1 3.94Å; L620-L700 HydrophobicContact CD2-CD2 3.35Å; L620-L700 HydrophobicContact CD2-CG 4.31Å; L620-I702 HydrophobicContact CB-CD1 3.84Å; L620-I702 HydrophobicContact CD2-CD1 3.55Å; L620-I702 HydrophobicContact CD2-CG1 4.03Å; L620-I702 HydrophobicContact CG-CD1 4.33Å; L620-L776 HydrophobicContact CD1-CD1 4.23Å; L620-L776 HydrophobicContact CD2-CD1 3.88Å; L620-L781 HydrophobicContact CB-CD2 4.14Å; L620-M789 HydrophobicContact CD1-SD 3.67Å; L620-V792 HydrophobicContact CD1-CG2 4.28Å
621	Y	97.8	Very high	95.8	Very high	17 Å²	17	25.2 Å²	25.2	7%	0.067	16%	0.157	C	C	.	.	H	α-helix	trans	-55.5	-46.9	177.8	173.2	-90.6	0	0	0	112	T617 A619 G625 S632 N633 E641 F674 K676	T617-Y621 VanDerWaalsContact O-CB 3.29Å; T617-Y621 WeakPolarHBondContact O-CB 3.32Å; T617-Y621 PolarHBondContact O-N 3.38Å; A619-Y621 PolarHBondContact O-N 3.11Å; Y621-G625 PolarHBondContact O-N 3.44Å; Y621-G625 VanDerWaalsContact O-N 3.09Å; Y621-S632 VanDerWaalsContact CZ-CB 3.43Å; Y621-S632 WeakPolarHBondContact OH-CB 3.08Å; Y621-S632 PolarHBondContact OH-OG 3.39Å; Y621-N633 PolarHBondContact OH-O 3.08Å; Y621-E641 HydrophobicContact CD1-CB 4.33Å; Y621-E641 HydrophobicContact CE1-CB 3.93Å; Y621-F674 HydrophobicContact CD2-CD2 4.18Å; Y621-F674 AromaticContact CD2-CE2 3.58Å; Y621-F674 HydrophobicContact CD2-CE2 3.58Å; Y621-F674 HydrophobicContact CE2-CD2 4.47Å; Y621-F674 AromaticContact CE2-CE2 3.93Å; Y621-F674 HydrophobicContact CE2-CE2 3.93Å; Y621-F674 HydrophobicContact CG-CE2 4.27Å; Y621-K676 HydrophobicContact CD2-CB 3.63Å; Y621-K676 HydrophobicContact CE2-CB 4.38Å; Y621-K676 HydrophobicContact CG-CB 4.32Å
622	L	96.4	Very high	95.6	Very high	83 Å²	83	27 Å²	27	44%	0.435	17%	0.17	S	C	.	.	H	α-helix	trans	-69.1	-40.4	178	-72.5	-168.1	0	0	0	112.9	T618 A619 L620 G625 M626 L829	T618-L622 WeakPolarHBondContact O-CG 3.44Å; T618-L622 PolarHBondContact O-N 2.96Å; A619-L622 PolarHBondContact O-N 2.91Å; L620-L622 VanDerWaalsContact C-N 3.34Å; L620-L622 PolarHBondContact O-N 3.34Å; L622-G625 PolarHBondContact O-N 3.2Å; L622-M626 WeakPolarHBondContact O-CG 3.45Å; L622-M626 PolarHBondContact O-N 3Å; L622-L829 HydrophobicContact CD1-CD2 3.25Å; L622-L829 HydrophobicContact CD1-CG 4.36Å; L622-L829 HydrophobicContact CG-CD2 4.12Å
623	F	97.2	Very high	95.5	Very high	12 Å²	12	27.1 Å²	27.1	5%	0.053	17%	0.17	C	C	.	.	H	α-helix	trans	-65.6	-41.1	178.4	-60.6	-23.2	0	0	0	111.1	A619 L620 G625 M626 L781 P785 M789 Y804 L808	A619-F623 HydrophobicContact CB-CE2 4.08Å; A619-F623 HydrophobicContact CB-CZ 4.36Å; A619-F623 WeakPolarHBondContact O-CD2 3.27Å; A619-F623 WeakPolarHBondContact O-CG 3.22Å; A619-F623 PolarHBondContact O-N 3.28Å; L620-F623 PolarHBondContact O-N 3.05Å; F623-G625 VanDerWaalsContact C-N 3.34Å; F623-G625 PolarHBondContact O-N 3.32Å; F623-M626 HydrophobicContact CD1-SD 4.17Å; F623-M626 WeakPolarHBondContact O-CB 3.38Å; F623-M626 PolarHBondContact O-N 3.46Å; F623-M626 VanDerWaalsContact O-N 3.16Å; F623-L781 HydrophobicContact CD2-CD1 4.38Å; F623-P785 HydrophobicContact CD2-CB 4.17Å; F623-P785 HydrophobicContact CE2-CB 3.78Å; F623-P785 HydrophobicContact CE2-CG 4.44Å; F623-M789 HydrophobicContact CB-CE 3.89Å; F623-M789 HydrophobicContact CB-CG 4.34Å; F623-M789 HydrophobicContact CB-SD 3.76Å; F623-Y804 HydrophobicContact CB-CE1 4.34Å; F623-Y804 VanDerWaalsContact O-CE1 3.28Å; F623-Y804 WeakPolarHBondContact O-CE1 3.43Å; F623-Y804 PolarHBondContact O-OH 3.41Å; F623-L808 HydrophobicContact CD1-CD1 4.42Å; F623-L808 HydrophobicContact CD1-CD2 3.7Å; F623-L808 HydrophobicContact CD2-CD1 4.24Å; F623-L808 HydrophobicContact CE1-CD1 4.43Å; F623-L808 HydrophobicContact CE1-CD2 3.64Å; F623-L808 HydrophobicContact CE2-CD1 4.26Å; F623-L808 HydrophobicContact CG-CD1 4.34Å; F623-L808 HydrophobicContact CG-CD2 4.37Å; F623-L808 HydrophobicContact CZ-CD1 4.35Å; F623-L808 HydrophobicContact CZ-CD2 4.25Å
624	L	95.8	Very high	95.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-39.9	174.2	-79.6	171.1	0	0	0	112.5	L607 I609 L620 M626 H627 L630 F674 M789 V792 L796	L607-L624 HydrophobicContact CD2-CD1 3.98Å; I609-L624 HydrophobicContact CD1-CD1 3.8Å; L620-L624 HydrophobicContact CD1-CD1 4.13Å; L620-L624 HydrophobicContact CD1-CG 4.23Å; L620-L624 HydrophobicContact CG-CD1 3.99Å; L620-L624 HydrophobicContact CG-CG 4.47Å; L620-L624 WeakPolarHBondContact O-CB 3.47Å; L620-L624 PolarHBondContact O-N 3.02Å; L624-M626 PolarHBondContact O-N 2.96Å; L624-M626 VanDerWaalsContact O-N 3.11Å; L624-H627 VanDerWaalsContact O-CB 3.28Å; L624-H627 WeakPolarHBondContact O-CB 3.4Å; L624-H627 PolarHBondContact O-N 3.33Å; L624-L630 HydrophobicContact CB-CD1 4.46Å; L624-L630 HydrophobicContact CD2-CD1 3.57Å; L624-F674 HydrophobicContact CB-CE1 4.14Å; L624-F674 HydrophobicContact CB-CE2 4.03Å; L624-F674 HydrophobicContact CB-CZ 3.68Å; L624-M789 HydrophobicContact CB-CE 4.4Å; L624-M789 HydrophobicContact CD2-CE 3.57Å; L624-M789 HydrophobicContact CG-CE 3.78Å; L624-V792 HydrophobicContact CD1-CG1 4.25Å; L624-V792 HydrophobicContact CD2-CG1 3.61Å; L624-V792 HydrophobicContact CG-CG1 4.43Å; L624-L796 HydrophobicContact CD2-CD1 4.25Å
625	G	94	Very high	95.4	Very high	40 Å²	40	34.3 Å²	34.3	41%	0.412	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-5	176.8	0	0	0	0	0	114.6	Y621 L622 F623 H627	Y621-G625 PolarHBondContact O-N 3.44Å; Y621-G625 VanDerWaalsContact O-N 3.09Å; L622-G625 PolarHBondContact O-N 3.2Å; F623-G625 VanDerWaalsContact C-N 3.34Å; F623-G625 PolarHBondContact O-N 3.32Å; G625-H627 VanDerWaalsContact C-N 3.3Å
626	M	94.1	Very high	95.3	Very high	44 Å²	44	34.7 Å²	34.7	22%	0.217	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.6	169.5	-64.8	167.6	49.7	0	0	112.4	L622 F623 L624 Y804 L808 Q819	L622-M626 WeakPolarHBondContact O-CG 3.45Å; L622-M626 PolarHBondContact O-N 3Å; F623-M626 HydrophobicContact CD1-SD 4.17Å; F623-M626 WeakPolarHBondContact O-CB 3.38Å; F623-M626 PolarHBondContact O-N 3.46Å; F623-M626 VanDerWaalsContact O-N 3.16Å; L624-M626 PolarHBondContact O-N 2.96Å; L624-M626 VanDerWaalsContact O-N 3.11Å; M626-Y804 HydrophobicContact CB-CE1 4.37Å; M626-Y804 HydrophobicContact CE-CE1 4.38Å; M626-L808 HydrophobicContact CE-CD2 4.07Å; M626-L808 HydrophobicContact SD-CD2 4.07Å; M626-Q819 HydrophobicContact CE-CB 4.3Å; M626-Q819 HydrophobicContact CE-CG 3.74Å; M626-Q819 HydrophobicContact SD-CB 3.96Å; M626-Q819 HydrophobicContact SD-CG 3.85Å
627	H	93.5	Very high	95.2	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.014	24%	0.236	C	C	.	.	S	Bend	trans	-81.7	128.6	-179.2	-164.8	-66.1	0	0	0	111.1	L624 G625 D629 L630 Q793 V798 N800 I802	L624-H627 VanDerWaalsContact O-CB 3.28Å; L624-H627 WeakPolarHBondContact O-CB 3.4Å; L624-H627 PolarHBondContact O-N 3.33Å; G625-H627 VanDerWaalsContact C-N 3.3Å; H627-D629 VanDerWaalsContact C-N 3.3Å; H627-D629 IonicContact CE1-OD2 3.7Å; H627-D629 PolarHBondContact ND1-N 3.41Å; H627-D629 VanDerWaalsContact ND1-N 3.15Å; H627-D629 PolarHBondContact O-N 3.17Å; H627-L630 HydrophobicContact CB-CB 4.02Å; H627-L630 HydrophobicContact CB-CD1 3.81Å; H627-L630 HydrophobicContact CB-CG 3.84Å; H627-L630 PolarHBondContact O-N 3.36Å; H627-Q793 PolarHBondContact CD2-OE1 3.24Å; H627-Q793 PolarHBondContact NE2-OE1 2.98Å; H627-V798 WeakPolarHBondContact CE1-CG1 3.49Å; H627-N800 PolarHBondContact CE1-O 3.47Å; H627-N800 PolarHBondContact NE2-O 3.21Å; H627-I802 HydrophobicContact CB-CD1 4.4Å
628	P	90.9	Very high	95.1	Very high	99 Å²	99	44.9 Å²	44.9	64%	0.643	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-35.6	-174.6	24.7	-34.1	0	0	0	113	L630 I802	P628-L630 VanDerWaalsContact C-N 3.31Å; P628-L630 PolarHBondContact O-N 2.84Å; P628-I802 HydrophobicContact CG-CD1 4.33Å
629	D	90.4	Very high	95	Very high	33 Å²	33	45.1 Å²	45.1	18%	0.176	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-4.4	179	-54.4	-21.2	0	0	0	113.9	H627 F672 V798 N800	H627-D629 VanDerWaalsContact C-N 3.3Å; H627-D629 IonicContact CE1-OD2 3.7Å; H627-D629 PolarHBondContact ND1-N 3.41Å; H627-D629 VanDerWaalsContact ND1-N 3.15Å; H627-D629 PolarHBondContact O-N 3.17Å; D629-F672 WeakPolarHBondContact O-CB 3.34Å; D629-V798 HydrophobicContact CB-CG1 4.31Å; D629-N800 PolarHBondContact OD2-ND2 2.76Å
630	L	92.6	Very high	94.9	Very high	5 Å²	5	51 Å²	51	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.4	-178	-53.4	-180	0	0	0	110.2	L624 H627 P628 F672 F674 L796 V798	L624-L630 HydrophobicContact CB-CD1 4.46Å; L624-L630 HydrophobicContact CD2-CD1 3.57Å; H627-L630 HydrophobicContact CB-CB 4.02Å; H627-L630 HydrophobicContact CB-CD1 3.81Å; H627-L630 HydrophobicContact CB-CG 3.84Å; H627-L630 PolarHBondContact O-N 3.36Å; P628-L630 VanDerWaalsContact C-N 3.31Å; P628-L630 PolarHBondContact O-N 2.84Å; L630-F672 HydrophobicContact CD2-CB 3.84Å; L630-F672 HydrophobicContact CD2-CD1 3.57Å; L630-F672 HydrophobicContact CD2-CE1 4.29Å; L630-F672 HydrophobicContact CD2-CG 3.78Å; L630-F674 HydrophobicContact CB-CD1 4.2Å; L630-F674 HydrophobicContact CB-CE1 3.92Å; L630-L796 HydrophobicContact CD1-CD1 4.04Å; L630-L796 HydrophobicContact CD2-CD1 4.38Å; L630-V798 HydrophobicContact CD2-CG2 4.09Å
631	S	93.8	Very high	94.7	Very high	43 Å²	43	52.9 Å²	52.9	30%	0.301	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.5	179.6	-76.8	0	0	0	0	111	F672 Y673 F674	S631-F672 PolarHBondContact N-O 3.31Å; S631-Y673 VanDerWaalsContact O-CA 3.28Å; S631-Y673 WeakPolarHBondContact O-CA 3.31Å; S631-F674 VanDerWaalsContact O-CD1 3.3Å; S631-F674 WeakPolarHBondContact O-CD1 3.36Å; S631-F674 PolarHBondContact O-N 3.34Å
632	S	94.7	Very high	94.7	Very high	37 Å²	37	53 Å²	53	26%	0.259	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	168	174.1	71.5	0	0	0	0	111.6	Y621	Y621-S632 VanDerWaalsContact CZ-CB 3.43Å; Y621-S632 WeakPolarHBondContact OH-CB 3.08Å; Y621-S632 PolarHBondContact OH-OG 3.39Å
633	N	96.1	Very high	94.8	Very high	3 Å²	3	49 Å²	49	2%	0.016	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-63.5	158.7	167.4	60.2	-82.4	0	0	0	113.1	Y621 E641 I643 F661 F662 F674 E675	Y621-N633 PolarHBondContact OH-O 3.08Å; N633-E641 PolarHBondContact ND2-O 3.31Å; N633-E641 VanDerWaalsContact ND2-O 3.17Å; N633-I643 HydrophobicContact CB-CD1 3.76Å; N633-I643 HydrophobicContact CB-CG1 4.16Å; N633-F661 CarbonylContact C-O 3.42Å; N633-F661 WeakPolarHBondContact CA-O 3.46Å; N633-F661 HydrophobicContact CB-CB 4.22Å; N633-F662 HydrophobicContact CB-CD1 4.28Å; N633-F662 HydrophobicContact CB-CE1 3.89Å; N633-F662 HydrophobicContact CB-CZ 4.34Å; N633-F674 PolarHBondContact N-O 2.88Å; N633-E675 WeakPolarHBondContact OD1-CA 3.49Å
634	Y	96.2	Very high	94.8	Very high	127 Å²	127	50.6 Å²	50.6	50%	0.498	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-66.8	147.2	163.6	-64.2	-54.5	0	0	0	110.4	F661 P663	Y634-F661 WeakPolarHBondContact CD2-O 3.29Å; Y634-F661 PolarHBondContact N-O 3.22Å; Y634-F661 WeakPolarHBondContact O-CD1 3.28Å; Y634-P663 HydrophobicContact CE1-CG 4.5Å; Y634-P663 HydrophobicContact CE2-CB 4.4Å; Y634-P663 HydrophobicContact CE2-CG 4.12Å
635	P	95.4	Very high	94.9	Very high	100 Å²	100	50.6 Å²	50.6	65%	0.649	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-72	140.7	-179.8	29.4	-34.2	0	0	0	111.7	F640	P635-F640 CarbonylContact C-O 3.58Å; P635-F640 VanDerWaalsContact CA-O 3.27Å; P635-F640 WeakPolarHBondContact CA-O 3.38Å
636	S	96.1	Very high	95.2	Very high	15 Å²	15	48.7 Å²	48.7	11%	0.105	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-78.8	142	167.3	172.8	0	0	0	0	110.5	E638 T639 F640	S636-E638 PolarHBondContact O-N 3.45Å; S636-E638 PolarHBondContact OG-N 3.07Å; S636-T639 WeakPolarHBondContact CB-OG1 3.41Å; S636-T639 PolarHBondContact OG-N 3.19Å; S636-T639 VanDerWaalsContact OG-N 3.14Å; S636-T639 PolarHBondContact OG-OG1 2.6Å; S636-F640 PolarHBondContact N-O 3.37Å; S636-F640 WeakPolarHBondContact O-CA 3.27Å; S636-F640 PolarHBondContact O-N 3.41Å
637	S	94.7	Very high	95.2	Very high	118 Å²	118	48.2 Å²	48.2	83%	0.825	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-25	172.4	52.2	0	0	0	0	113.1
638	E	94.9	Very high	95.2	Very high	133 Å²	133	49.3 Å²	49.3	62%	0.621	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-39.3	-177.2	-62.7	-178.4	168.9	0	0	112.3	S636	S636-E638 PolarHBondContact O-N 3.45Å; S636-E638 PolarHBondContact OG-N 3.07Å
639	T	95.4	Very high	95.4	Very high	20 Å²	20	51 Å²	51	12%	0.123	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	7.5	-170.8	49.9	0	0	0	0	113.4	S636 E641 E642 Q644	S636-T639 WeakPolarHBondContact CB-OG1 3.41Å; S636-T639 PolarHBondContact OG-N 3.19Å; S636-T639 VanDerWaalsContact OG-N 3.14Å; S636-T639 PolarHBondContact OG-OG1 2.6Å; T639-E641 PolarHBondContact O-N 2.66Å; T639-E642 WeakPolarHBondContact CB-O 3.45Å; T639-E642 PolarHBondContact O-N 3.06Å; T639-E642 PolarHBondContact OG1-O 3.25Å; T639-Q644 HydrophobicContact CG2-CB 4.48Å; T639-Q644 HydrophobicContact CG2-CG 4.17Å
640	F	94.6	Very high	95.7	Very high	139 Å²	139	49.7 Å²	49.7	61%	0.61	27%	0.267	S	S	*	.	B	Isolated β-bridge	trans	56.4	-122.8	176.4	-51.1	-82.6	0	0	0	112.1	P635 S636 E642	P635-F640 CarbonylContact C-O 3.58Å; P635-F640 VanDerWaalsContact CA-O 3.27Å; P635-F640 WeakPolarHBondContact CA-O 3.38Å; S636-F640 PolarHBondContact N-O 3.37Å; S636-F640 WeakPolarHBondContact O-CA 3.27Å; S636-F640 PolarHBondContact O-N 3.41Å; F640-E642 PolarHBondContact O-N 3.14Å
641	E	94	Very high	95.9	Very high	39 Å²	39	49.5 Å²	49.5	18%	0.182	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.6	177.8	67.2	-99.4	-149.3	0	0	114.2	T618 Y621 N633 T639 K833	T618-E641 WeakPolarHBondContact CG2-OE1 3.46Å; T618-E641 PolarHBondContact OG1-OE1 3.4Å; Y621-E641 HydrophobicContact CD1-CB 4.33Å; Y621-E641 HydrophobicContact CE1-CB 3.93Å; N633-E641 PolarHBondContact ND2-O 3.31Å; N633-E641 VanDerWaalsContact ND2-O 3.17Å; T639-E641 PolarHBondContact O-N 2.66Å; E641-K833 IonicContact OE1-NZ 2.85Å; E641-K833 PolarHBondContact OE1-NZ 3.33Å
642	E	97.8	Very high	95.9	Very high	19 Å²	19	50.6 Å²	50.6	9%	0.089	27%	0.267	C	S	.	.			trans	-94.2	145.4	-177.9	-49.6	-165.5	173.1	0	0	112.5	T639 F640 Q644 K676 A678	T639-E642 WeakPolarHBondContact CB-O 3.45Å; T639-E642 PolarHBondContact O-N 3.06Å; T639-E642 PolarHBondContact OG1-O 3.25Å; F640-E642 PolarHBondContact O-N 3.14Å; E642-Q644 HydrophobicContact CB-CG 3.85Å; E642-Q644 PolarHBondContact OE2-NE2 2.88Å; E642-K676 VanDerWaalsContact CA-O 3.22Å; E642-K676 WeakPolarHBondContact CA-O 3.46Å; E642-K676 WeakPolarHBondContact CB-O 3.19Å; E642-K676 HydrophobicContact CG-CD 4.3Å; E642-K676 WeakPolarHBondContact CG-O 3.46Å; E642-K676 WeakPolarHBondContact OE1-CE 3.39Å; E642-K676 IonicContact OE1-NZ 2.68Å; E642-K676 PolarHBondContact OE1-NZ 2.9Å; E642-A678 PolarHBondContact OE1-N 3.09Å; E642-A678 PolarHBondContact OE2-N 3.35Å
643	I	98	Very high	96	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.			trans	-90.5	-40.9	173.6	-54.7	178.6	0	0	0	110.8	N633 F645 W657 Y658 F661 F662 E675 S677	N633-I643 HydrophobicContact CB-CD1 3.76Å; N633-I643 HydrophobicContact CB-CG1 4.16Å; I643-F645 VanDerWaalsContact C-N 3.32Å; I643-F645 HydrophobicContact CG2-CB 4.03Å; I643-F645 PolarHBondContact O-N 3.08Å; I643-W657 HydrophobicContact CG2-CH2 3.88Å; I643-W657 HydrophobicContact CG2-CZ3 3.71Å; I643-Y658 HydrophobicContact CB-CE2 4.44Å; I643-Y658 HydrophobicContact CD1-CD2 4.35Å; I643-Y658 HydrophobicContact CD1-CE2 3.81Å; I643-Y658 HydrophobicContact CG2-CD2 3.84Å; I643-Y658 HydrophobicContact CG2-CE2 3.93Å; I643-F661 HydrophobicContact CD1-CB 3.76Å; I643-F661 HydrophobicContact CD1-CG 4.08Å; I643-F661 HydrophobicContact CG1-CB 4.26Å; I643-F661 HydrophobicContact CG1-CD1 4.17Å; I643-F661 HydrophobicContact CG1-CG 4.1Å; I643-F661 HydrophobicContact CG2-CD2 3.86Å; I643-F661 HydrophobicContact CG2-CE2 4.04Å; I643-F661 HydrophobicContact CG2-CG 4.12Å; I643-F661 HydrophobicContact CG2-CZ 4.45Å; I643-F662 HydrophobicContact CD1-CE1 4.35Å; I643-F662 HydrophobicContact CD1-CE2 3.88Å; I643-F662 HydrophobicContact CD1-CZ 3.52Å; I643-E675 HydrophobicContact CD1-CB 3.65Å; I643-E675 HydrophobicContact CD1-CG 4.2Å; I643-E675 HydrophobicContact CG1-CB 4.27Å; I643-S677 PolarHBondContact N-OG 3.5Å
644	Q	98	Very high	95.9	Very high	45 Å²	45	52.9 Å²	52.9	21%	0.21	27%	0.272	C	S	.	.			trans	55.2	43.9	-177.9	-56.1	-172.5	1.7	0	0	113.1	T639 E642 N647 N650 S677 N679	T639-Q644 HydrophobicContact CG2-CB 4.48Å; T639-Q644 HydrophobicContact CG2-CG 4.17Å; E642-Q644 HydrophobicContact CB-CG 3.85Å; E642-Q644 PolarHBondContact OE2-NE2 2.88Å; Q644-N647 PolarHBondContact O-OD1 2.95Å; Q644-N650 WeakPolarHBondContact O-CB 3.42Å; Q644-S677 PolarHBondContact N-OG 3.08Å; Q644-N679 PolarHBondContact NE2-ND2 3.32Å
645	F	98.5	Very high	95.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.			trans	-74.6	-55.7	179.9	-177.9	-120.6	0	0	0	112.1	W582 I643 N647 Y651 G654 W657 Y658 Y680 L693	W582-F645 AromaticContact CD1-CZ 3.8Å; I643-F645 VanDerWaalsContact C-N 3.32Å; I643-F645 HydrophobicContact CG2-CB 4.03Å; I643-F645 PolarHBondContact O-N 3.08Å; F645-N647 PolarHBondContact O-N 3.49Å; F645-Y651 AromaticContact CD1-CD2 3.97Å; F645-Y651 HydrophobicContact CD1-CD2 3.97Å; F645-Y651 HydrophobicContact CD1-CE2 4.37Å; F645-Y651 HydrophobicContact CD2-CD2 4.48Å; F645-Y651 AromaticContact CE1-CD2 3.6Å; F645-Y651 HydrophobicContact CE1-CD2 3.6Å; F645-Y651 AromaticContact CE1-CE2 3.73Å; F645-Y651 HydrophobicContact CE1-CE2 3.73Å; F645-Y651 HydrophobicContact CE2-CD2 4.18Å; F645-Y651 HydrophobicContact CG-CD2 4.4Å; F645-Y651 AromaticContact CZ-CD2 3.73Å; F645-Y651 HydrophobicContact CZ-CD2 3.73Å; F645-Y651 HydrophobicContact CZ-CE2 4.04Å; F645-Y651 WeakPolarHBondContact O-CA 3.29Å; F645-Y651 VanDerWaalsContact O-CB 3.26Å; F645-Y651 WeakPolarHBondContact O-CB 3.39Å; F645-Y651 PolarHBondContact O-N 3.37Å; F645-Y651 VanDerWaalsContact O-N 3.16Å; F645-G654 WeakPolarHBondContact CE2-O 3.47Å; F645-W657 HydrophobicContact CB-CZ3 4.13Å; F645-W657 AromaticContact CD2-CE3 3.62Å; F645-W657 HydrophobicContact CD2-CE3 3.62Å; F645-W657 AromaticContact CD2-CZ3 3.62Å; F645-W657 HydrophobicContact CD2-CZ3 3.62Å; F645-W657 HydrophobicContact CE2-CE3 4.08Å; F645-W657 HydrophobicContact CG-CZ3 4.3Å; F645-Y658 HydrophobicContact CB-CD2 3.45Å; F645-Y658 VanDerWaalsContact CB-CD2 3.45Å; F645-Y658 HydrophobicContact CB-CE2 3.62Å; F645-Y658 HydrophobicContact CB-CG 4.38Å; F645-Y658 HydrophobicContact CD1-CD1 4.17Å; F645-Y658 AromaticContact CD1-CD2 3.57Å; F645-Y658 HydrophobicContact CD1-CD2 3.57Å; F645-Y658 HydrophobicContact CD1-CE1 4.5Å; F645-Y658 AromaticContact CD1-CE2 3.94Å; F645-Y658 HydrophobicContact CD1-CE2 3.94Å; F645-Y658 AromaticContact CD1-CG 3.68Å; F645-Y658 HydrophobicContact CD1-CG 3.68Å; F645-Y658 HydrophobicContact CD2-CD2 4.07Å; F645-Y658 HydrophobicContact CD2-CG 4.32Å; F645-Y658 HydrophobicContact CE1-CD1 4.28Å; F645-Y658 HydrophobicContact CE1-CD2 4.3Å; F645-Y658 AromaticContact CE1-CG 3.94Å; F645-Y658 HydrophobicContact CE1-CG 3.94Å; F645-Y658 AromaticContact CG-CD2 3.44Å; F645-Y658 HydrophobicContact CG-CD2 3.44Å; F645-Y658 VanDerWaalsContact CG-CD2 3.44Å; F645-Y658 AromaticContact CG-CE2 3.98Å; F645-Y658 HydrophobicContact CG-CE2 3.98Å; F645-Y658 AromaticContact CG-CG 3.89Å; F645-Y658 HydrophobicContact CG-CG 3.89Å; F645-Y658 HydrophobicContact CZ-CG 4.36Å; F645-Y680 PolarHBondContact N-OH 3.3Å; F645-L693 HydrophobicContact CE1-CD2 3.86Å
646	F	98.5	Very high	95.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-16.3	-167.6	-62.3	-65.6	0	0	0	115.7	L608 Y651 Y658 Y680 A686 R689 A690 L693 L694	L608-F646 HydrophobicContact CD1-CE2 4.2Å; L608-F646 HydrophobicContact CD2-CE2 4.35Å; F646-Y651 AromaticContact CD1-CD2 3.96Å; F646-Y651 HydrophobicContact CD1-CD2 3.96Å; F646-Y651 AromaticContact CD1-CE2 3.74Å; F646-Y651 HydrophobicContact CD1-CE2 3.74Å; F646-Y651 HydrophobicContact CE1-CE2 4.09Å; F646-Y658 HydrophobicContact CE2-CE1 4.41Å; F646-Y658 HydrophobicContact CE2-CE2 4.46Å; F646-Y658 AromaticContact CE2-CZ 3.91Å; F646-Y658 WeakPolarHBondContact CE2-OH 3.29Å; F646-Y658 HydrophobicContact CZ-CE1 4.17Å; F646-Y680 HydrophobicContact CB-CD1 4.32Å; F646-Y680 HydrophobicContact CB-CE1 3.93Å; F646-Y680 HydrophobicContact CD2-CD2 4.39Å; F646-Y680 HydrophobicContact CD2-CE1 4.34Å; F646-Y680 AromaticContact CD2-CE2 3.65Å; F646-Y680 HydrophobicContact CD2-CE2 3.65Å; F646-Y680 AromaticContact CD2-CZ 3.63Å; F646-Y680 HydrophobicContact CE2-CE2 4.43Å; F646-Y680 PolarHBondContact N-OH 2.85Å; F646-A686 HydrophobicContact CB-CB 3.9Å; F646-R689 HydrophobicContact CB-CB 4.44Å; F646-R689 HydrophobicContact CD1-CB 3.82Å; F646-R689 WeakPolarHBondContact O-CD 3.17Å; F646-A690 HydrophobicContact CD1-CB 4.25Å; F646-A690 HydrophobicContact CD2-CB 4Å; F646-A690 HydrophobicContact CE1-CB 4.31Å; F646-A690 HydrophobicContact CE2-CB 4.09Å; F646-A690 HydrophobicContact CG-CB 4.1Å; F646-A690 HydrophobicContact CZ-CB 4.25Å; F646-L693 HydrophobicContact CE1-CB 4.27Å; F646-L693 HydrophobicContact CE1-CD2 4.06Å; F646-L693 HydrophobicContact CZ-CD2 4.13Å; F646-L694 HydrophobicContact CE2-CD1 3.96Å; F646-L694 HydrophobicContact CZ-CD1 3.73Å; F646-L694 HydrophobicContact CZ-CG 4.26Å
647	N	95.8	Very high	95.7	Very high	35 Å²	35	45.1 Å²	45.1	19%	0.187	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-17.7	-169.7	59.8	22	0	0	0	115.3	Q644 F645 N679 Y680	Q644-N647 PolarHBondContact O-OD1 2.95Å; F645-N647 PolarHBondContact O-N 3.49Å; N647-N679 WeakPolarHBondContact ND2-CB 3.46Å; N647-Y680 HydrophobicContact CB-CD1 3.97Å; N647-Y680 HydrophobicContact CB-CE1 4.28Å
648	G	92.4	Very high	95.8	Very high	25 Å²	25	39.5 Å²	39.5	26%	0.258	19%	0.19	S	C	.	.	S	Bend	trans	-163.2	-143.6	-163.6	0	0	0	0	0	114.3	N650 Y651 R689	G648-N650 VanDerWaalsContact C-N 3.34Å; G648-N650 PolarHBondContact O-N 2.87Å; G648-Y651 WeakPolarHBondContact O-CB 3.44Å; G648-Y651 PolarHBondContact O-N 3.03Å; G648-R689 PolarHBondContact O-NH1 3.25Å
649	H	94.6	Very high	95.8	Very high	135 Å²	135	33.4 Å²	33.4	63%	0.625	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-69	-27.9	-168.8	66.6	81.6	0	0	0	113.9	Y651 H652	H649-Y651 PolarHBondContact O-N 3.18Å; H649-H652 PolarHBondContact O-CD2 2.86Å; H649-H652 PolarHBondContact O-N 3.12Å
650	N	96.9	Very high	95.7	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.032	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-62	-26.2	178.7	-75.7	-30.3	0	0	0	112.4	Q644 G648 H652 K653 W657	Q644-N650 WeakPolarHBondContact O-CB 3.42Å; G648-N650 VanDerWaalsContact C-N 3.34Å; G648-N650 PolarHBondContact O-N 2.87Å; N650-H652 PolarHBondContact O-N 3.09Å; N650-H652 VanDerWaalsContact O-N 3.16Å; N650-K653 VanDerWaalsContact O-CB 3.29Å; N650-K653 WeakPolarHBondContact O-CB 3.38Å; N650-K653 PolarHBondContact O-N 3.5Å; N650-K653 VanDerWaalsContact OD1-CE 3.3Å; N650-K653 WeakPolarHBondContact OD1-CE 3.37Å; N650-K653 PolarHBondContact OD1-NZ 3.06Å; N650-W657 HydrophobicContact CB-CE3 4.5Å; N650-W657 HydrophobicContact CB-CH2 3.69Å; N650-W657 HydrophobicContact CB-CZ2 4.32Å; N650-W657 HydrophobicContact CB-CZ3 3.81Å
651	Y	97.3	Very high	95.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-55	-34.9	176.1	-166.9	-107.3	0	0	0	113.2	P580 W582 F645 F646 G648 H649 K653 G654 R689	P580-Y651 HydrophobicContact CG-CE1 4.42Å; P580-Y651 VanDerWaalsContact O-CE1 3.27Å; P580-Y651 WeakPolarHBondContact O-CE1 3.42Å; W582-Y651 AromaticContact CD1-CE1 3.59Å; W582-Y651 AromaticContact CD1-CE2 3.43Å; W582-Y651 VanDerWaalsContact CD1-CE2 3.43Å; W582-Y651 AromaticContact CD1-CZ 3.2Å; W582-Y651 HydrophobicContact CG-CE1 4.27Å; W582-Y651 HydrophobicContact CG-CE2 4.34Å; W582-Y651 AromaticContact CG-CZ 3.83Å; W582-Y651 PolarHBondContact N-OH 2.94Å; W582-Y651 AromaticContact NE1-CD1 3.92Å; W582-Y651 AromaticContact NE1-CE1 3.65Å; W582-Y651 AromaticContact NE1-CZ 3.77Å; W582-Y651 PolarHBondContact NE1-O 3.05Å; F645-Y651 AromaticContact CD1-CD2 3.97Å; F645-Y651 HydrophobicContact CD1-CD2 3.97Å; F645-Y651 HydrophobicContact CD1-CE2 4.37Å; F645-Y651 HydrophobicContact CD2-CD2 4.48Å; F645-Y651 AromaticContact CE1-CD2 3.6Å; F645-Y651 HydrophobicContact CE1-CD2 3.6Å; F645-Y651 AromaticContact CE1-CE2 3.73Å; F645-Y651 HydrophobicContact CE1-CE2 3.73Å; F645-Y651 HydrophobicContact CE2-CD2 4.18Å; F645-Y651 HydrophobicContact CG-CD2 4.4Å; F645-Y651 AromaticContact CZ-CD2 3.73Å; F645-Y651 HydrophobicContact CZ-CD2 3.73Å; F645-Y651 HydrophobicContact CZ-CE2 4.04Å; F645-Y651 WeakPolarHBondContact O-CA 3.29Å; F645-Y651 VanDerWaalsContact O-CB 3.26Å; F645-Y651 WeakPolarHBondContact O-CB 3.39Å; F645-Y651 PolarHBondContact O-N 3.37Å; F645-Y651 VanDerWaalsContact O-N 3.16Å; F646-Y651 AromaticContact CD1-CD2 3.96Å; F646-Y651 HydrophobicContact CD1-CD2 3.96Å; F646-Y651 AromaticContact CD1-CE2 3.74Å; F646-Y651 HydrophobicContact CD1-CE2 3.74Å; F646-Y651 HydrophobicContact CE1-CE2 4.09Å; G648-Y651 WeakPolarHBondContact O-CB 3.44Å; G648-Y651 PolarHBondContact O-N 3.03Å; H649-Y651 PolarHBondContact O-N 3.18Å; Y651-K653 PolarHBondContact O-N 2.88Å; Y651-G654 PolarHBondContact O-N 3.42Å; Y651-R689 HydrophobicContact CD1-CG 4.43Å; Y651-R689 VanDerWaalsContact CD1-CZ 3.48Å; Y651-R689 HydrophobicContact CD2-CB 4.32Å; Y651-R689 HydrophobicContact CD2-CG 4.42Å; Y651-R689 HydrophobicContact CE1-CG 3.92Å; Y651-R689 HydrophobicContact CE2-CB 3.67Å; Y651-R689 HydrophobicContact CE2-CG 3.92Å
652	H	95	Very high	95.8	Very high	67 Å²	67	31 Å²	31	31%	0.31	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-75.3	-12	-176.8	-59.2	-86.2	0	0	0	113.3	H475 D579 H649 N650 G654	H475-H652 PolarHBondContact ND1-O 3.24Å; D579-H652 IonicContact OD1-CE1 2.68Å; D579-H652 PolarHBondContact OD1-CE1 3.21Å; D579-H652 IonicContact OD2-CE1 2.96Å; H649-H652 PolarHBondContact O-CD2 2.86Å; H649-H652 PolarHBondContact O-N 3.12Å; N650-H652 PolarHBondContact O-N 3.09Å; N650-H652 VanDerWaalsContact O-N 3.16Å; H652-G654 PolarHBondContact O-N 3.18Å
653	K	94.8	Very high	95.2	Very high	86 Å²	86	31.2 Å²	31.2	37%	0.374	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-70.5	-15	172.7	-60.7	178.3	173.9	169.7	0	112.3	N650 Y651 W657	N650-K653 VanDerWaalsContact O-CB 3.29Å; N650-K653 WeakPolarHBondContact O-CB 3.38Å; N650-K653 PolarHBondContact O-N 3.5Å; N650-K653 VanDerWaalsContact OD1-CE 3.3Å; N650-K653 WeakPolarHBondContact OD1-CE 3.37Å; N650-K653 PolarHBondContact OD1-NZ 3.06Å; Y651-K653 PolarHBondContact O-N 2.88Å; K653-W657 HydrophobicContact CB-CB 3.68Å; K653-W657 HydrophobicContact CB-CD2 3.95Å; K653-W657 HydrophobicContact CB-CE3 4.47Å; K653-W657 HydrophobicContact CB-CG 3.57Å; K653-W657 HydrophobicContact CD-CD2 3.7Å; K653-W657 VanDerWaalsContact CD-CE2 3.48Å; K653-W657 HydrophobicContact CD-CE3 4.48Å; K653-W657 HydrophobicContact CD-CG 3.8Å; K653-W657 HydrophobicContact CD-CZ2 4.09Å; K653-W657 HydrophobicContact CG-CD2 4.46Å; K653-W657 HydrophobicContact CG-CG 4.33Å
654	G	95.3	Very high	94.5	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.021	19%	0.185	C	C	.	.			trans	92.4	175	172.9	0	0	0	0	0	114.2	F645 Y651 H652 D656 Y658	F645-G654 WeakPolarHBondContact CE2-O 3.47Å; Y651-G654 PolarHBondContact O-N 3.42Å; H652-G654 PolarHBondContact O-N 3.18Å; G654-D656 VanDerWaalsContact C-N 3.32Å; G654-D656 PolarHBondContact O-N 3.42Å; G654-Y658 PolarHBondContact O-N 2.9Å
655	I	95.4	Very high	93.4	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.056	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-39.1	-176.1	-60	176.1	0	0	0	111.3	W582 P585 F604 W657 Y658 M659 L693	W582-I655 HydrophobicContact CB-CD1 3.91Å; W582-I655 HydrophobicContact CB-CG1 3.77Å; W582-I655 HydrophobicContact CD2-CG1 4.31Å; W582-I655 HydrophobicContact CG-CD1 4.37Å; W582-I655 HydrophobicContact CG-CG1 3.84Å; P585-I655 HydrophobicContact CG-CD1 4.04Å; F604-I655 HydrophobicContact CE1-CG2 3.74Å; F604-I655 HydrophobicContact CZ-CG2 3.5Å; I655-W657 PolarHBondContact O-N 3.49Å; I655-Y658 WeakPolarHBondContact O-CA 3.39Å; I655-Y658 WeakPolarHBondContact O-CB 3.29Å; I655-Y658 PolarHBondContact O-N 3.07Å; I655-M659 HydrophobicContact CG2-CG 4.13Å; I655-M659 HydrophobicContact CG2-SD 3.87Å; I655-M659 WeakPolarHBondContact O-CG 3.46Å; I655-M659 PolarHBondContact O-N 3.12Å; I655-L693 HydrophobicContact CD1-CD1 3.86Å; I655-L693 HydrophobicContact CG1-CD1 4.07Å; I655-L693 HydrophobicContact CG2-CD1 4.35Å
656	D	92.8	Very high	91.8	Very high	24 Å²	24	39.1 Å²	39.1	13%	0.128	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-46.1	-176.7	-64.9	1.2	0	0	0	111.4	V441 K599 G654 Y658 M659 E660	V441-D656 HydrophobicContact CG2-CB 4.29Å; K599-D656 VanDerWaalsContact CE-OD1 3.29Å; K599-D656 WeakPolarHBondContact CE-OD1 3.11Å; K599-D656 WeakPolarHBondContact CE-OD2 3.49Å; K599-D656 IonicContact NZ-OD1 3.45Å; K599-D656 PolarHBondContact NZ-OD1 2.82Å; K599-D656 IonicContact NZ-OD2 3.44Å; K599-D656 PolarHBondContact NZ-OD2 3.42Å; G654-D656 VanDerWaalsContact C-N 3.32Å; G654-D656 PolarHBondContact O-N 3.42Å; D656-Y658 PolarHBondContact O-N 2.97Å; D656-M659 PolarHBondContact O-N 2.92Å; D656-M659 VanDerWaalsContact O-N 3.13Å; D656-E660 WeakPolarHBondContact O-CG 3.49Å; D656-E660 PolarHBondContact O-N 3.4Å
657	W	95.5	Very high	89.9	Confident	43 Å²	43	47.7 Å²	47.7	16%	0.163	25%	0.248	C	C	.	.	H	α-helix	trans	-57.3	-38	174	-178.7	82.1	0	0	0	112.3	I643 F645 N650 K653 I655 F661	I643-W657 HydrophobicContact CG2-CH2 3.88Å; I643-W657 HydrophobicContact CG2-CZ3 3.71Å; F645-W657 HydrophobicContact CB-CZ3 4.13Å; F645-W657 AromaticContact CD2-CE3 3.62Å; F645-W657 HydrophobicContact CD2-CE3 3.62Å; F645-W657 AromaticContact CD2-CZ3 3.62Å; F645-W657 HydrophobicContact CD2-CZ3 3.62Å; F645-W657 HydrophobicContact CE2-CE3 4.08Å; F645-W657 HydrophobicContact CG-CZ3 4.3Å; N650-W657 HydrophobicContact CB-CE3 4.5Å; N650-W657 HydrophobicContact CB-CH2 3.69Å; N650-W657 HydrophobicContact CB-CZ2 4.32Å; N650-W657 HydrophobicContact CB-CZ3 3.81Å; K653-W657 HydrophobicContact CB-CB 3.68Å; K653-W657 HydrophobicContact CB-CD2 3.95Å; K653-W657 HydrophobicContact CB-CE3 4.47Å; K653-W657 HydrophobicContact CB-CG 3.57Å; K653-W657 HydrophobicContact CD-CD2 3.7Å; K653-W657 VanDerWaalsContact CD-CE2 3.48Å; K653-W657 HydrophobicContact CD-CE3 4.48Å; K653-W657 HydrophobicContact CD-CG 3.8Å; K653-W657 HydrophobicContact CD-CZ2 4.09Å; K653-W657 HydrophobicContact CG-CD2 4.46Å; K653-W657 HydrophobicContact CG-CG 4.33Å; I655-W657 PolarHBondContact O-N 3.49Å; W657-F661 AromaticContact CD2-CE2 3.91Å; W657-F661 HydrophobicContact CD2-CE2 3.91Å; W657-F661 AromaticContact CE2-CE2 3.56Å; W657-F661 AromaticContact CE3-CE2 3.99Å; W657-F661 HydrophobicContact CE3-CE2 3.99Å; W657-F661 HydrophobicContact CH2-CD2 4.44Å; W657-F661 AromaticContact CH2-CE2 3.47Å; W657-F661 HydrophobicContact CH2-CE2 3.47Å; W657-F661 VanDerWaalsContact CH2-CE2 3.47Å; W657-F661 AromaticContact CH2-CZ 3.83Å; W657-F661 HydrophobicContact CH2-CZ 3.83Å; W657-F661 AromaticContact CZ2-CE2 3.38Å; W657-F661 HydrophobicContact CZ2-CE2 3.38Å; W657-F661 AromaticContact CZ2-CZ 3.57Å; W657-F661 HydrophobicContact CZ2-CZ 3.57Å; W657-F661 HydrophobicContact CZ3-CD2 4.39Å; W657-F661 AromaticContact CZ3-CE2 3.76Å; W657-F661 HydrophobicContact CZ3-CE2 3.76Å; W657-F661 WeakPolarHBondContact O-CD2 3.44Å; W657-F661 WeakPolarHBondContact O-CE2 3.28Å
658	Y	97.1	Very high	88	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-70	-41.5	177.2	-173.8	-120.8	0	0	0	112.1	F604 P605 I643 F645 F646 G654 I655 D656 E660 F661 F662 E675 L693 L694	F604-Y658 HydrophobicContact CD1-CD1 4.3Å; F604-Y658 HydrophobicContact CD1-CE1 4.43Å; F604-Y658 HydrophobicContact CE1-CD1 4.31Å; P605-Y658 HydrophobicContact CG-CE1 3.85Å; P605-Y658 WeakPolarHBondContact CG-OH 3.48Å; I643-Y658 HydrophobicContact CB-CE2 4.44Å; I643-Y658 HydrophobicContact CD1-CD2 4.35Å; I643-Y658 HydrophobicContact CD1-CE2 3.81Å; I643-Y658 HydrophobicContact CG2-CD2 3.84Å; I643-Y658 HydrophobicContact CG2-CE2 3.93Å; F645-Y658 HydrophobicContact CB-CD2 3.45Å; F645-Y658 VanDerWaalsContact CB-CD2 3.45Å; F645-Y658 HydrophobicContact CB-CE2 3.62Å; F645-Y658 HydrophobicContact CB-CG 4.38Å; F645-Y658 HydrophobicContact CD1-CD1 4.17Å; F645-Y658 AromaticContact CD1-CD2 3.57Å; F645-Y658 HydrophobicContact CD1-CD2 3.57Å; F645-Y658 HydrophobicContact CD1-CE1 4.5Å; F645-Y658 AromaticContact CD1-CE2 3.94Å; F645-Y658 HydrophobicContact CD1-CE2 3.94Å; F645-Y658 AromaticContact CD1-CG 3.68Å; F645-Y658 HydrophobicContact CD1-CG 3.68Å; F645-Y658 HydrophobicContact CD2-CD2 4.07Å; F645-Y658 HydrophobicContact CD2-CG 4.32Å; F645-Y658 HydrophobicContact CE1-CD1 4.28Å; F645-Y658 HydrophobicContact CE1-CD2 4.3Å; F645-Y658 AromaticContact CE1-CG 3.94Å; F645-Y658 HydrophobicContact CE1-CG 3.94Å; F645-Y658 AromaticContact CG-CD2 3.44Å; F645-Y658 HydrophobicContact CG-CD2 3.44Å; F645-Y658 VanDerWaalsContact CG-CD2 3.44Å; F645-Y658 AromaticContact CG-CE2 3.98Å; F645-Y658 HydrophobicContact CG-CE2 3.98Å; F645-Y658 AromaticContact CG-CG 3.89Å; F645-Y658 HydrophobicContact CG-CG 3.89Å; F645-Y658 HydrophobicContact CZ-CG 4.36Å; F646-Y658 HydrophobicContact CE2-CE1 4.41Å; F646-Y658 HydrophobicContact CE2-CE2 4.46Å; F646-Y658 AromaticContact CE2-CZ 3.91Å; F646-Y658 WeakPolarHBondContact CE2-OH 3.29Å; F646-Y658 HydrophobicContact CZ-CE1 4.17Å; G654-Y658 PolarHBondContact O-N 2.9Å; I655-Y658 WeakPolarHBondContact O-CA 3.39Å; I655-Y658 WeakPolarHBondContact O-CB 3.29Å; I655-Y658 PolarHBondContact O-N 3.07Å; D656-Y658 PolarHBondContact O-N 2.97Å; Y658-E660 VanDerWaalsContact C-N 3.29Å; Y658-E660 PolarHBondContact O-N 2.83Å; Y658-F661 PolarHBondContact O-N 3.22Å; Y658-F662 HydrophobicContact CD1-CE2 4.27Å; Y658-F662 HydrophobicContact CD2-CE2 4.39Å; Y658-F662 AromaticContact CE1-CE2 3.96Å; Y658-F662 HydrophobicContact CE1-CE2 3.96Å; Y658-F662 HydrophobicContact CE2-CE2 4.1Å; Y658-F662 HydrophobicContact CE2-CZ 4.41Å; Y658-F662 HydrophobicContact CG-CE2 4.49Å; Y658-F662 AromaticContact CZ-CE2 3.89Å; Y658-F662 WeakPolarHBondContact O-CD2 3.33Å; Y658-F662 WeakPolarHBondContact O-CE2 3.45Å; Y658-E675 VanDerWaalsContact CE2-OE1 3.26Å; Y658-E675 WeakPolarHBondContact CE2-OE1 3.3Å; Y658-E675 PolarHBondContact OH-OE1 3.29Å; Y658-L693 HydrophobicContact CD1-CD2 4.14Å; Y658-L693 HydrophobicContact CE1-CD2 4.48Å; Y658-L694 HydrophobicContact CE1-CD1 4.21Å
659	M	94	Very high	86.3	Confident	5 Å²	5	56 Å²	56	3%	0.025	30%	0.295	C	S	.	.	H	α-helix	trans	-65.8	-30	179.2	-69.1	177.4	74.5	0	0	112.9	W595 K599 T600 R603 F604 I655 D656 F661 F662	W595-M659 HydrophobicContact CH2-CE 3.75Å; W595-M659 HydrophobicContact CH2-SD 3.8Å; W595-M659 HydrophobicContact CZ2-CE 4.13Å; W595-M659 HydrophobicContact CZ2-SD 3.64Å; K599-M659 HydrophobicContact CB-CE 4.21Å; T600-M659 WeakPolarHBondContact O-CE 3.39Å; R603-M659 HydrophobicContact CB-CE 3.93Å; R603-M659 HydrophobicContact CG-CE 4.36Å; R603-M659 VanDerWaalsContact CZ-O 3.28Å; R603-M659 PolarHBondContact NE-O 2.98Å; R603-M659 PolarHBondContact NH2-O 3.08Å; F604-M659 HydrophobicContact CD1-CG 4.25Å; F604-M659 HydrophobicContact CE1-CG 3.68Å; F604-M659 HydrophobicContact CE1-SD 4.19Å; F604-M659 HydrophobicContact CZ-CG 4.18Å; F604-M659 HydrophobicContact CZ-SD 4.06Å; I655-M659 HydrophobicContact CG2-CG 4.13Å; I655-M659 HydrophobicContact CG2-SD 3.87Å; I655-M659 WeakPolarHBondContact O-CG 3.46Å; I655-M659 PolarHBondContact O-N 3.12Å; D656-M659 PolarHBondContact O-N 2.92Å; D656-M659 VanDerWaalsContact O-N 3.13Å; M659-F661 PolarHBondContact O-N 2.97Å; M659-F661 VanDerWaalsContact O-N 3.17Å; M659-F662 PolarHBondContact O-N 3.2Å
660	E	93.8	Very high	84.6	Confident	124 Å²	124	52.2 Å²	52.2	58%	0.579	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.1	177.5	-77.1	171.6	-174.9	0	0	113.5	D656 Y658 F662	D656-E660 WeakPolarHBondContact O-CG 3.49Å; D656-E660 PolarHBondContact O-N 3.4Å; Y658-E660 VanDerWaalsContact C-N 3.29Å; Y658-E660 PolarHBondContact O-N 2.83Å; E660-F662 VanDerWaalsContact C-N 3.25Å; E660-F662 PolarHBondContact O-N 3.02Å
661	F	96.3	Very high	83.4	Confident	25 Å²	25	53.4 Å²	53.4	11%	0.11	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.1	177	-74.8	-84	0	0	0	114.1	N633 Y634 I643 W657 Y658 M659	N633-F661 CarbonylContact C-O 3.42Å; N633-F661 WeakPolarHBondContact CA-O 3.46Å; N633-F661 HydrophobicContact CB-CB 4.22Å; Y634-F661 WeakPolarHBondContact CD2-O 3.29Å; Y634-F661 PolarHBondContact N-O 3.22Å; Y634-F661 WeakPolarHBondContact O-CD1 3.28Å; I643-F661 HydrophobicContact CD1-CB 3.76Å; I643-F661 HydrophobicContact CD1-CG 4.08Å; I643-F661 HydrophobicContact CG1-CB 4.26Å; I643-F661 HydrophobicContact CG1-CD1 4.17Å; I643-F661 HydrophobicContact CG1-CG 4.1Å; I643-F661 HydrophobicContact CG2-CD2 3.86Å; I643-F661 HydrophobicContact CG2-CE2 4.04Å; I643-F661 HydrophobicContact CG2-CG 4.12Å; I643-F661 HydrophobicContact CG2-CZ 4.45Å; W657-F661 AromaticContact CD2-CE2 3.91Å; W657-F661 HydrophobicContact CD2-CE2 3.91Å; W657-F661 AromaticContact CE2-CE2 3.56Å; W657-F661 AromaticContact CE3-CE2 3.99Å; W657-F661 HydrophobicContact CE3-CE2 3.99Å; W657-F661 HydrophobicContact CH2-CD2 4.44Å; W657-F661 AromaticContact CH2-CE2 3.47Å; W657-F661 HydrophobicContact CH2-CE2 3.47Å; W657-F661 VanDerWaalsContact CH2-CE2 3.47Å; W657-F661 AromaticContact CH2-CZ 3.83Å; W657-F661 HydrophobicContact CH2-CZ 3.83Å; W657-F661 AromaticContact CZ2-CE2 3.38Å; W657-F661 HydrophobicContact CZ2-CE2 3.38Å; W657-F661 AromaticContact CZ2-CZ 3.57Å; W657-F661 HydrophobicContact CZ2-CZ 3.57Å; W657-F661 HydrophobicContact CZ3-CD2 4.39Å; W657-F661 AromaticContact CZ3-CE2 3.76Å; W657-F661 HydrophobicContact CZ3-CE2 3.76Å; W657-F661 WeakPolarHBondContact O-CD2 3.44Å; W657-F661 WeakPolarHBondContact O-CE2 3.28Å; Y658-F661 PolarHBondContact O-N 3.22Å; M659-F661 PolarHBondContact O-N 2.97Å; M659-F661 VanDerWaalsContact O-N 3.17Å
662	F	94	Very high	83.1	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-105.4	142.3	-178.2	-59.8	-78.2	0	0	0	110.5	R603 P605 N633 I643 Y658 M659 E660 Y673 E675	R603-F662 HydrophobicContact CG-CB 3.89Å; R603-F662 VanDerWaalsContact CZ-O 3.31Å; R603-F662 PolarHBondContact NE-O 3.39Å; R603-F662 PolarHBondContact NH2-O 2.8Å; R603-F662 VanDerWaalsContact O-CB 3.24Å; R603-F662 WeakPolarHBondContact O-CB 3.41Å; R603-F662 WeakPolarHBondContact O-CG 3.46Å; P605-F662 HydrophobicContact CB-CE1 3.73Å; P605-F662 HydrophobicContact CB-CZ 3.72Å; P605-F662 HydrophobicContact CG-CE1 4Å; P605-F662 HydrophobicContact CG-CE2 3.93Å; P605-F662 HydrophobicContact CG-CZ 3.44Å; P605-F662 VanDerWaalsContact CG-CZ 3.44Å; N633-F662 HydrophobicContact CB-CD1 4.28Å; N633-F662 HydrophobicContact CB-CE1 3.89Å; N633-F662 HydrophobicContact CB-CZ 4.34Å; I643-F662 HydrophobicContact CD1-CE1 4.35Å; I643-F662 HydrophobicContact CD1-CE2 3.88Å; I643-F662 HydrophobicContact CD1-CZ 3.52Å; Y658-F662 HydrophobicContact CD1-CE2 4.27Å; Y658-F662 HydrophobicContact CD2-CE2 4.39Å; Y658-F662 AromaticContact CE1-CE2 3.96Å; Y658-F662 HydrophobicContact CE1-CE2 3.96Å; Y658-F662 HydrophobicContact CE2-CE2 4.1Å; Y658-F662 HydrophobicContact CE2-CZ 4.41Å; Y658-F662 HydrophobicContact CG-CE2 4.49Å; Y658-F662 AromaticContact CZ-CE2 3.89Å; Y658-F662 WeakPolarHBondContact O-CD2 3.33Å; Y658-F662 WeakPolarHBondContact O-CE2 3.45Å; M659-F662 PolarHBondContact O-N 3.2Å; E660-F662 VanDerWaalsContact C-N 3.25Å; E660-F662 PolarHBondContact O-N 3.02Å; F662-Y673 HydrophobicContact CB-CD2 4.36Å; F662-Y673 HydrophobicContact CD1-CG 4.12Å; F662-E675 HydrophobicContact CE1-CB 4.3Å; F662-E675 HydrophobicContact CZ-CB 4.03Å; F662-E675 HydrophobicContact CZ-CG 4.45Å
663	P	86.3	Confident	83.1	Confident	23 Å²	23	52 Å²	52	15%	0.149	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-54.1	152	172.6	-22.7	32.6	0	0	0	111.4	R603 Y634 P665 Y673	R603-P663 WeakPolarHBondContact CG-O 3.23Å; Y634-P663 HydrophobicContact CE1-CG 4.5Å; Y634-P663 HydrophobicContact CE2-CB 4.4Å; Y634-P663 HydrophobicContact CE2-CG 4.12Å; P663-P665 WeakPolarHBondContact O-CD 3.45Å; P663-Y673 HydrophobicContact CB-CE1 4.25Å; P663-Y673 HydrophobicContact CG-CE1 4.03Å
664	I	82.8	Confident	83.3	Confident	130 Å²	130	48 Å²	48	67%	0.667	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-68.2	127.1	167.5	-60.9	170.5	0	0	0	106.5	S666	I664-S666 PolarHBondContact O-N 3.42Å
665	P	74.9	Confident	83.4	Confident	25 Å²	25	47.9 Å²	47.9	16%	0.162	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-52.8	132.1	178.7	-26.2	33.8	0	0	0	111.2	T600 D602 R603 P663 D671 Y673	T600-P665 HydrophobicContact CG2-CG 3.76Å; D602-P665 HydrophobicContact CB-CB 4.11Å; D602-P665 HydrophobicContact CB-CG 3.71Å; R603-P665 HydrophobicContact CB-CG 4.18Å; P663-P665 WeakPolarHBondContact O-CD 3.45Å; P665-D671 WeakPolarHBondContact CA-OD2 3.41Å; P665-Y673 WeakPolarHBondContact CA-OH 3.26Å; P665-Y673 HydrophobicContact CG-CE2 4.25Å
666	S	63.4	Low	83.6	Confident	55 Å²	55	47.6 Å²	47.6	39%	0.385	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-68.5	158.6	167	65.1	0	0	0	0	108.8	I664 T668 D671	I664-S666 PolarHBondContact O-N 3.42Å; S666-T668 PolarHBondContact O-N 3.49Å; S666-T668 PolarHBondContact OG-N 2.65Å; S666-T668 PolarHBondContact OG-OG1 3.16Å; S666-D671 PolarHBondContact N-OD2 2.84Å; S666-D671 PolarHBondContact OG-OD2 3.44Å
667	N	59.5	Low	83.8	Confident	181 Å²	181	46.4 Å²	46.4	97%	0.968	26%	0.256	S	S	*	.	S	Bend	trans	-65.1	11.9	171.8	-78.8	-15.2	0	0	0	113.3
668	T	56.3	Low	84	Confident	79 Å²	79	44.4 Å²	44.4	49%	0.485	25%	0.249	S	C	.	.	S	Bend	trans	-97	139.2	177.8	74.5	0	0	0	0	110.1	S666 S670	S666-T668 PolarHBondContact O-N 3.49Å; S666-T668 PolarHBondContact OG-N 2.65Å; S666-T668 PolarHBondContact OG-OG1 3.16Å; T668-S670 PolarHBondContact O-N 2.92Å; T668-S670 VanDerWaalsContact O-N 3.1Å; T668-S670 PolarHBondContact OG1-OG 3.03Å
669	T	56.3	Low	84	Confident	155 Å²	155	46 Å²	46	95%	0.951	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	7.8	-172.6	45.4	0	0	0	0	114.5
670	S	58.2	Low	84.2	Confident	56 Å²	56	45.8 Å²	45.8	39%	0.392	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-0.9	-170.8	43.9	0	0	0	0	115.3	T668 F672	T668-S670 PolarHBondContact O-N 2.92Å; T668-S670 VanDerWaalsContact O-N 3.1Å; T668-S670 PolarHBondContact OG1-OG 3.03Å; S670-F672 PolarHBondContact O-N 3.26Å
671	D	72.8	Confident	84.4	Confident	30 Å²	30	39.9 Å²	39.9	16%	0.16	23%	0.229	C	C	.	.			trans	-71.3	106.6	-173.3	-70.6	-20.6	0	0	0	111.7	K606 P665 S666 Y673	K606-D671 PolarHBondContact NZ-O 3.29Å; P665-D671 WeakPolarHBondContact CA-OD2 3.41Å; S666-D671 PolarHBondContact N-OD2 2.84Å; S666-D671 PolarHBondContact OG-OD2 3.44Å; D671-Y673 HydrophobicContact CB-CE1 4.21Å; D671-Y673 HydrophobicContact CB-CE2 4.29Å; D671-Y673 PolarHBondContact OD2-OH 3.08Å
672	F	91	Very high	84.4	Confident	35 Å²	35	39.9 Å²	39.9	15%	0.154	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	104.4	173.1	-168.3	-70.4	0	0	0	109.6	K606 L607 D629 L630 S631 S670 L796	K606-F672 HydrophobicContact CB-CD1 4.17Å; K606-F672 HydrophobicContact CB-CD2 3.99Å; K606-F672 HydrophobicContact CB-CE1 3.79Å; K606-F672 HydrophobicContact CB-CE2 3.59Å; K606-F672 HydrophobicContact CB-CG 4.26Å; K606-F672 HydrophobicContact CB-CZ 3.47Å; K606-F672 VanDerWaalsContact CB-CZ 3.47Å; K606-F672 HydrophobicContact CD-CD2 3.67Å; K606-F672 HydrophobicContact CD-CE2 3.98Å; K606-F672 HydrophobicContact CD-CG 4.12Å; K606-F672 HydrophobicContact CG-CD2 4.46Å; K606-F672 HydrophobicContact CG-CE2 4.42Å; L607-F672 HydrophobicContact CB-CE1 3.68Å; L607-F672 HydrophobicContact CB-CZ 4.15Å; D629-F672 WeakPolarHBondContact O-CB 3.34Å; L630-F672 HydrophobicContact CD2-CB 3.84Å; L630-F672 HydrophobicContact CD2-CD1 3.57Å; L630-F672 HydrophobicContact CD2-CE1 4.29Å; L630-F672 HydrophobicContact CD2-CG 3.78Å; S631-F672 PolarHBondContact N-O 3.31Å; S670-F672 PolarHBondContact O-N 3.26Å; F672-L796 HydrophobicContact CE1-CD2 3.98Å; F672-L796 HydrophobicContact CZ-CD2 3.62Å; F672-L796 HydrophobicContact CZ-CG 4.47Å
673	Y	95.5	Very high	84.6	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	146.4	179.7	-57.5	-47.7	0	0	0	112.8	D602 P605 K606 L607 S631 F662 P663 P665 D671	D602-Y673 WeakPolarHBondContact O-CD2 3.41Å; D602-Y673 WeakPolarHBondContact O-CE2 3.37Å; P605-Y673 CarbonylContact C-O 3.59Å; P605-Y673 WeakPolarHBondContact CA-O 3.21Å; K606-Y673 PolarHBondContact N-O 3.17Å; L607-Y673 PolarHBondContact N-O 3.28Å; S631-Y673 VanDerWaalsContact O-CA 3.28Å; S631-Y673 WeakPolarHBondContact O-CA 3.31Å; F662-Y673 HydrophobicContact CB-CD2 4.36Å; F662-Y673 HydrophobicContact CD1-CG 4.12Å; P663-Y673 HydrophobicContact CB-CE1 4.25Å; P663-Y673 HydrophobicContact CG-CE1 4.03Å; P665-Y673 WeakPolarHBondContact CA-OH 3.26Å; P665-Y673 HydrophobicContact CG-CE2 4.25Å; D671-Y673 HydrophobicContact CB-CE1 4.21Å; D671-Y673 HydrophobicContact CB-CE2 4.29Å; D671-Y673 PolarHBondContact OD2-OH 3.08Å
674	F	97.6	Very high	85.1	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.8	172.2	68.8	-86.2	0	0	0	111.5	L607 I609 Y621 L624 L630 S631 N633	L607-F674 HydrophobicContact CB-CB 3.73Å; L607-F674 HydrophobicContact CD2-CB 3.92Å; L607-F674 HydrophobicContact CD2-CG 4.44Å; L607-F674 HydrophobicContact CG-CB 4.04Å; L607-F674 VanDerWaalsContact O-CA 3.3Å; L607-F674 WeakPolarHBondContact O-CA 3.11Å; I609-F674 HydrophobicContact CD1-CD2 4.08Å; I609-F674 HydrophobicContact CD1-CE2 4.44Å; Y621-F674 HydrophobicContact CD2-CD2 4.18Å; Y621-F674 AromaticContact CD2-CE2 3.58Å; Y621-F674 HydrophobicContact CD2-CE2 3.58Å; Y621-F674 HydrophobicContact CE2-CD2 4.47Å; Y621-F674 AromaticContact CE2-CE2 3.93Å; Y621-F674 HydrophobicContact CE2-CE2 3.93Å; Y621-F674 HydrophobicContact CG-CE2 4.27Å; L624-F674 HydrophobicContact CB-CE1 4.14Å; L624-F674 HydrophobicContact CB-CE2 4.03Å; L624-F674 HydrophobicContact CB-CZ 3.68Å; L630-F674 HydrophobicContact CB-CD1 4.2Å; L630-F674 HydrophobicContact CB-CE1 3.92Å; S631-F674 VanDerWaalsContact O-CD1 3.3Å; S631-F674 WeakPolarHBondContact O-CD1 3.36Å; S631-F674 PolarHBondContact O-N 3.34Å; N633-F674 PolarHBondContact N-O 2.88Å
675	E	98.3	Very high	85.7	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	164	169	70.4	134.6	134.7	0	0	111.5	L607 L608 I609 N633 I643 Y658 F662 S677 Y680	L607-E675 PolarHBondContact O-N 2.93Å; L607-E675 VanDerWaalsContact O-N 3.13Å; L608-E675 HydrophobicContact CD2-CG 3.53Å; I609-E675 PolarHBondContact N-O 3.12Å; N633-E675 WeakPolarHBondContact OD1-CA 3.49Å; I643-E675 HydrophobicContact CD1-CB 3.65Å; I643-E675 HydrophobicContact CD1-CG 4.2Å; I643-E675 HydrophobicContact CG1-CB 4.27Å; Y658-E675 VanDerWaalsContact CE2-OE1 3.26Å; Y658-E675 WeakPolarHBondContact CE2-OE1 3.3Å; Y658-E675 PolarHBondContact OH-OE1 3.29Å; F662-E675 HydrophobicContact CE1-CB 4.3Å; F662-E675 HydrophobicContact CZ-CB 4.03Å; F662-E675 HydrophobicContact CZ-CG 4.45Å; E675-S677 WeakPolarHBondContact OE2-CB 3.27Å; E675-S677 PolarHBondContact OE2-OG 3.21Å; E675-Y680 VanDerWaalsContact OE1-CE2 3.28Å; E675-Y680 WeakPolarHBondContact OE1-CE2 3.4Å; E675-Y680 PolarHBondContact OE1-OH 3.48Å; E675-Y680 WeakPolarHBondContact OE2-CE2 3.45Å; E675-Y680 PolarHBondContact OE2-OH 2.97Å
676	K	98.4	Very high	86.9	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.017	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	120.9	175.8	177.8	-102.9	141.6	163.6	0	110.4	I609 T617 Y621 E642	I609-K676 HydrophobicContact CB-CB 3.82Å; I609-K676 HydrophobicContact CB-CG 3.79Å; I609-K676 HydrophobicContact CD1-CB 4.23Å; I609-K676 HydrophobicContact CG2-CB 4.29Å; I609-K676 HydrophobicContact CG2-CG 3.69Å; I609-K676 WeakPolarHBondContact O-CA 3.41Å; T617-K676 WeakPolarHBondContact OG1-CE 3.49Å; T617-K676 PolarHBondContact OG1-NZ 3.26Å; Y621-K676 HydrophobicContact CD2-CB 3.63Å; Y621-K676 HydrophobicContact CE2-CB 4.38Å; Y621-K676 HydrophobicContact CG-CB 4.32Å; E642-K676 VanDerWaalsContact CA-O 3.22Å; E642-K676 WeakPolarHBondContact CA-O 3.46Å; E642-K676 WeakPolarHBondContact CB-O 3.19Å; E642-K676 HydrophobicContact CG-CD 4.3Å; E642-K676 WeakPolarHBondContact CG-O 3.46Å; E642-K676 WeakPolarHBondContact OE1-CE 3.39Å; E642-K676 IonicContact OE1-NZ 2.68Å; E642-K676 PolarHBondContact OE1-NZ 2.9Å
677	S	98.6	Very high	88.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.225	C	C	.	.			trans	-140.9	102.4	175.9	-66.8	0	0	0	0	108.8	I609 I610 I643 Q644 E675 N679 Y680	I609-S677 PolarHBondContact O-N 2.89Å; I610-S677 CarbonylContact C-O 3.5Å; I643-S677 PolarHBondContact N-OG 3.5Å; Q644-S677 PolarHBondContact N-OG 3.08Å; E675-S677 WeakPolarHBondContact OE2-CB 3.27Å; E675-S677 PolarHBondContact OE2-OG 3.21Å; S677-N679 PolarHBondContact O-N 3.35Å; S677-N679 VanDerWaalsContact O-N 3.14Å; S677-Y680 VanDerWaalsContact CB-CE1 3.43Å; S677-Y680 VanDerWaalsContact CB-CE2 3.48Å; S677-Y680 WeakPolarHBondContact O-CB 3.37Å; S677-Y680 PolarHBondContact O-N 3.39Å; S677-Y680 PolarHBondContact OG-OH 3.3Å
678	A	98.2	Very high	90.3	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-12.6	-167.6	0	0	0	0	0	114.1	I610 Q613 T617 E642 Y680	I610-A678 CarbonylContact O-C 3.56Å; I610-A678 WeakPolarHBondContact O-CA 3.47Å; Q613-A678 HydrophobicContact CB-CB 4.33Å; Q613-A678 HydrophobicContact CG-CB 3.68Å; T617-A678 HydrophobicContact CG2-CB 4.24Å; E642-A678 PolarHBondContact OE1-N 3.09Å; E642-A678 PolarHBondContact OE2-N 3.35Å; A678-Y680 VanDerWaalsContact C-N 3.27Å
679	N	96.9	Very high	92.3	Very high	33 Å²	33	37.2 Å²	37.2	18%	0.176	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-1.5	173.5	-74.5	-19.5	0	0	0	112.9	Q613 Q644 N647 S677 S683	Q613-N679 PolarHBondContact NE2-OD1 2.88Å; Q644-N679 PolarHBondContact NE2-ND2 3.32Å; N647-N679 WeakPolarHBondContact ND2-CB 3.46Å; S677-N679 PolarHBondContact O-N 3.35Å; S677-N679 VanDerWaalsContact O-N 3.14Å; N679-S683 WeakPolarHBondContact O-CB 3.4Å
680	Y	98.8	Very high	94.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-36.7	175.8	-70.8	-5.2	0	0	0	111.4	I610 F645 F646 N647 E675 S677 A678 D682 S683 A686 W764	I610-Y680 HydrophobicContact CG2-CD2 4.24Å; I610-Y680 PolarHBondContact O-N 2.93Å; F645-Y680 PolarHBondContact N-OH 3.3Å; F646-Y680 HydrophobicContact CB-CD1 4.32Å; F646-Y680 HydrophobicContact CB-CE1 3.93Å; F646-Y680 HydrophobicContact CD2-CD2 4.39Å; F646-Y680 HydrophobicContact CD2-CE1 4.34Å; F646-Y680 AromaticContact CD2-CE2 3.65Å; F646-Y680 HydrophobicContact CD2-CE2 3.65Å; F646-Y680 AromaticContact CD2-CZ 3.63Å; F646-Y680 HydrophobicContact CE2-CE2 4.43Å; F646-Y680 PolarHBondContact N-OH 2.85Å; N647-Y680 HydrophobicContact CB-CD1 3.97Å; N647-Y680 HydrophobicContact CB-CE1 4.28Å; E675-Y680 VanDerWaalsContact OE1-CE2 3.28Å; E675-Y680 WeakPolarHBondContact OE1-CE2 3.4Å; E675-Y680 PolarHBondContact OE1-OH 3.48Å; E675-Y680 WeakPolarHBondContact OE2-CE2 3.45Å; E675-Y680 PolarHBondContact OE2-OH 2.97Å; S677-Y680 VanDerWaalsContact CB-CE1 3.43Å; S677-Y680 VanDerWaalsContact CB-CE2 3.48Å; S677-Y680 WeakPolarHBondContact O-CB 3.37Å; S677-Y680 PolarHBondContact O-N 3.39Å; S677-Y680 PolarHBondContact OG-OH 3.3Å; A678-Y680 VanDerWaalsContact C-N 3.27Å; Y680-D682 PolarHBondContact O-N 3.23Å; Y680-S683 PolarHBondContact O-N 3.42Å; Y680-A686 HydrophobicContact CD1-CB 4.44Å; Y680-W764 WeakPolarHBondContact O-CZ2 3.34Å; Y680-W764 PolarHBondContact O-NE1 2.79Å
681	F	98.7	Very high	96.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-50.5	-174.7	-177.7	-97.2	0	0	0	113.2	I610 P612 T701 L703 Y757 H760 I761 W764	I610-F681 HydrophobicContact CD1-CD2 3.84Å; I610-F681 HydrophobicContact CG1-CB 4.44Å; I610-F681 HydrophobicContact CG1-CD2 4.23Å; I610-F681 VanDerWaalsContact O-CB 3.26Å; I610-F681 WeakPolarHBondContact O-CB 3.27Å; I610-F681 PolarHBondContact O-N 2.89Å; P612-F681 HydrophobicContact CB-CB 4.18Å; P612-F681 HydrophobicContact CB-CD1 3.56Å; P612-F681 HydrophobicContact CB-CE1 4.1Å; P612-F681 HydrophobicContact CB-CG 3.97Å; P612-F681 HydrophobicContact CG-CD1 3.79Å; P612-F681 HydrophobicContact CG-CE1 3.86Å; P612-F681 HydrophobicContact CG-CG 4.19Å; P612-F681 HydrophobicContact CG-CZ 4.36Å; F681-T701 VanDerWaalsContact CD2-OG1 3.31Å; F681-T701 WeakPolarHBondContact CD2-OG1 3.37Å; F681-T701 HydrophobicContact CE2-CG2 4.4Å; F681-T701 VanDerWaalsContact CE2-OG1 3.24Å; F681-T701 WeakPolarHBondContact CE2-OG1 3.28Å; F681-L703 HydrophobicContact CE2-CD2 4.41Å; F681-L703 HydrophobicContact CZ-CD2 4.2Å; F681-Y757 AromaticContact CE1-CD1 3.88Å; F681-Y757 HydrophobicContact CE1-CD1 3.88Å; F681-Y757 AromaticContact CZ-CD1 3.95Å; F681-Y757 HydrophobicContact CZ-CD1 3.95Å; F681-H760 HydrophobicContact CD1-CB 3.81Å; F681-H760 HydrophobicContact CE1-CB 3.39Å; F681-H760 AromaticContact CE1-CD2 3.55Å; F681-H760 AromaticContact CE1-CG 3.7Å; F681-H760 HydrophobicContact CE2-CB 4.17Å; F681-H760 HydrophobicContact CG-CB 4.4Å; F681-H760 HydrophobicContact CZ-CB 3.59Å; F681-I761 HydrophobicContact CE2-CD1 4.46Å; F681-I761 HydrophobicContact CE2-CG1 3.78Å; F681-I761 HydrophobicContact CZ-CG1 4.07Å; F681-W764 PolarHBondContact O-NE1 3.49Å
682	D	95.8	Very high	97.4	Very high	26 Å²	26	27.3 Å²	27.3	14%	0.139	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-13.8	-177.2	63.4	-29.2	0	0	0	113.6	Y680 R750 P754 R763	Y680-D682 PolarHBondContact O-N 3.23Å; D682-R750 IonicContact OD2-CZ 3.11Å; D682-R750 IonicContact OD2-NH1 3.64Å; D682-R750 PolarHBondContact OD2-NH1 2.84Å; D682-R750 IonicContact OD2-NH2 3.44Å; D682-P754 HydrophobicContact CB-CB 4.16Å; D682-P754 HydrophobicContact CB-CG 4.44Å; D682-R763 PolarHBondContact O-NH1 2.92Å
683	S	97.9	Very high	97.7	Very high	15 Å²	15	25.7 Å²	25.7	11%	0.105	13%	0.126	C	C	.	.			trans	-62.5	136.5	177.7	-179.4	0	0	0	0	112.6	N679 Y680 V685 A686 R763	N679-S683 WeakPolarHBondContact O-CB 3.4Å; Y680-S683 PolarHBondContact O-N 3.42Å; S683-V685 PolarHBondContact OG-N 3.38Å; S683-A686 PolarHBondContact OG-N 2.98Å; S683-R763 PolarHBondContact O-NH1 3.04Å; S683-R763 VanDerWaalsContact O-NH1 3.07Å
684	E	96.4	Very high	97.8	Very high	156 Å²	156	25.8 Å²	25.8	73%	0.729	13%	0.127	S	C	*	.	S	Bend	trans	-78.8	-32.1	177.8	-64.1	-174.9	171.7	0	0	112.7
685	V	97.1	Very high	97.8	Very high	64 Å²	64	28 Å²	28	39%	0.388	14%	0.141	S	C	.	.	S	Bend	trans	-93.5	-24.4	-174.8	-63.3	0	0	0	0	113.4	S683 R688 R689	S683-V685 PolarHBondContact OG-N 3.38Å; V685-R688 PolarHBondContact O-N 2.54Å; V685-R689 WeakPolarHBondContact O-CG 3.36Å; V685-R689 PolarHBondContact O-N 3.49Å; V685-R689 VanDerWaalsContact O-N 3.15Å
686	A	98.5	Very high	97.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-42.8	-174.8	0	0	0	0	0	114.3	F646 Y680 S683 R688 R689 A690 W764	F646-A686 HydrophobicContact CB-CB 3.9Å; Y680-A686 HydrophobicContact CD1-CB 4.44Å; S683-A686 PolarHBondContact OG-N 2.98Å; A686-R688 PolarHBondContact O-N 3.39Å; A686-R689 PolarHBondContact O-N 3.03Å; A686-A690 WeakPolarHBondContact O-CB 3.46Å; A686-A690 PolarHBondContact O-N 3.23Å; A686-W764 HydrophobicContact CB-CH2 4.45Å; A686-W764 HydrophobicContact CB-CZ2 4.08Å
687	P	98.6	Very high	97.7	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.032	17%	0.171	C	C	.	.	H	α-helix	trans	-57.8	-48.8	-179.2	-23.9	32.2	0	0	0	113	A691 R763 W764 A767	P687-A691 VanDerWaalsContact O-CB 3.32Å; P687-A691 WeakPolarHBondContact O-CB 3.47Å; P687-A691 PolarHBondContact O-N 3.27Å; P687-R763 HydrophobicContact CG-CB 4.25Å; P687-W764 HydrophobicContact CB-CD2 4.09Å; P687-W764 HydrophobicContact CB-CE3 4.26Å; P687-W764 HydrophobicContact CB-CG 4.43Å; P687-W764 HydrophobicContact CG-CD2 3.93Å; P687-W764 HydrophobicContact CG-CG 4.12Å; P687-W764 HydrophobicContact CG-CZ2 4.09Å; P687-A767 HydrophobicContact CB-CB 3.87Å
688	R	97.3	Very high	97.7	Very high	178 Å²	178	37.4 Å²	37.4	67%	0.672	18%	0.183	S	C	*	.	H	α-helix	trans	-65.7	-42.9	180	-179.4	-176.6	172.1	-163.1	-2.5	111.6	L581 V685 A686 A692	L581-R688 HydrophobicContact CD1-CG 4.12Å; L581-R688 HydrophobicContact CD2-CG 4.5Å; V685-R688 PolarHBondContact O-N 2.54Å; A686-R688 PolarHBondContact O-N 3.39Å; R688-A692 WeakPolarHBondContact O-CB 3.46Å; R688-A692 PolarHBondContact O-N 3.33Å; R688-A692 VanDerWaalsContact O-N 3.08Å
689	R	98.2	Very high	97.7	Very high	18 Å²	18	37.4 Å²	37.4	7%	0.068	18%	0.182	C	C	.	.	H	α-helix	trans	-66.8	-41.1	179.5	-72.5	176.5	169	-177.5	-4.3	112	D579 L581 F646 G648 Y651 V685 A686 L693	D579-R689 IonicContact OD2-NH2 3.6Å; L581-R689 HydrophobicContact CD1-CG 4.12Å; F646-R689 HydrophobicContact CB-CB 4.44Å; F646-R689 HydrophobicContact CD1-CB 3.82Å; F646-R689 WeakPolarHBondContact O-CD 3.17Å; G648-R689 PolarHBondContact O-NH1 3.25Å; Y651-R689 HydrophobicContact CD1-CG 4.43Å; Y651-R689 VanDerWaalsContact CD1-CZ 3.48Å; Y651-R689 HydrophobicContact CD2-CB 4.32Å; Y651-R689 HydrophobicContact CD2-CG 4.42Å; Y651-R689 HydrophobicContact CE1-CG 3.92Å; Y651-R689 HydrophobicContact CE2-CB 3.67Å; Y651-R689 HydrophobicContact CE2-CG 3.92Å; V685-R689 WeakPolarHBondContact O-CG 3.36Å; V685-R689 PolarHBondContact O-N 3.49Å; V685-R689 VanDerWaalsContact O-N 3.15Å; A686-R689 PolarHBondContact O-N 3.03Å; R689-L693 PolarHBondContact O-N 3.15Å
690	A	98.7	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.9	-46.9	176.5	0	0	0	0	0	111.3	L608 F646 A686 A692 L693 L694 W764 Y768	L608-A690 HydrophobicContact CD1-CB 3.87Å; F646-A690 HydrophobicContact CD1-CB 4.25Å; F646-A690 HydrophobicContact CD2-CB 4Å; F646-A690 HydrophobicContact CE1-CB 4.31Å; F646-A690 HydrophobicContact CE2-CB 4.09Å; F646-A690 HydrophobicContact CG-CB 4.1Å; F646-A690 HydrophobicContact CZ-CB 4.25Å; A686-A690 WeakPolarHBondContact O-CB 3.46Å; A686-A690 PolarHBondContact O-N 3.23Å; A690-A692 VanDerWaalsContact C-N 3.3Å; A690-A692 PolarHBondContact O-N 3.28Å; A690-L693 PolarHBondContact O-N 2.99Å; A690-L694 CarbonylContact O-C 3.56Å; A690-L694 WeakPolarHBondContact O-CA 3.32Å; A690-L694 WeakPolarHBondContact O-CB 3.48Å; A690-L694 PolarHBondContact O-N 3.09Å; A690-W764 HydrophobicContact CB-CH2 4.16Å; A690-W764 HydrophobicContact CB-CZ3 4.17Å; A690-Y768 HydrophobicContact CB-CE2 4.29Å; A690-Y768 PolarHBondContact O-OH 3.33Å
691	A	98.3	Very high	97.8	Very high	20 Å²	20	35.9 Å²	35.9	17%	0.165	17%	0.174	C	C	.	.	H	α-helix	trans	-65.5	-31.5	179.8	0	0	0	0	0	113.3	P687 P695 A767 Y768	P687-A691 VanDerWaalsContact O-CB 3.32Å; P687-A691 WeakPolarHBondContact O-CB 3.47Å; P687-A691 PolarHBondContact O-N 3.27Å; A691-P695 VanDerWaalsContact O-CA 3.26Å; A691-P695 WeakPolarHBondContact O-CA 3.32Å; A691-P695 WeakPolarHBondContact O-CB 3.4Å; A691-A767 HydrophobicContact CB-CB 3.9Å; A691-Y768 WeakPolarHBondContact CA-OH 2.7Å; A691-Y768 HydrophobicContact CB-CD2 4.3Å; A691-Y768 HydrophobicContact CB-CE2 3.8Å; A691-Y768 PolarHBondContact N-OH 2.84Å
692	A	97	Very high	97.8	Very high	14 Å²	14	35.9 Å²	35.9	12%	0.116	17%	0.174	C	C	.	.	H	α-helix	trans	-65.5	-44.9	175.4	0	0	0	0	0	112.4	L581 W582 Q583 D584 R688 A690	L581-A692 HydrophobicContact CD1-CB 3.76Å; L581-A692 HydrophobicContact CD2-CB 4.21Å; L581-A692 HydrophobicContact CG-CB 3.74Å; W582-A692 CarbonylContact O-C 3.52Å; W582-A692 VanDerWaalsContact O-C 3.31Å; W582-A692 VanDerWaalsContact O-CB 3.31Å; W582-A692 WeakPolarHBondContact O-CB 3.27Å; Q583-A692 CarbonylContact C-O 3.57Å; Q583-A692 VanDerWaalsContact CA-O 3.32Å; Q583-A692 WeakPolarHBondContact CA-O 3.47Å; D584-A692 PolarHBondContact N-O 3.39Å; R688-A692 WeakPolarHBondContact O-CB 3.46Å; R688-A692 PolarHBondContact O-N 3.33Å; R688-A692 VanDerWaalsContact O-N 3.08Å; A690-A692 VanDerWaalsContact C-N 3.3Å; A690-A692 PolarHBondContact O-N 3.28Å
693	L	97.6	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-86	-34.2	-177.5	-177.3	59.8	0	0	0	113.1	W582 Q583 D584 F604 F645 F646 I655 Y658 R689 A690 P695	W582-L693 HydrophobicContact CB-CD1 4.39Å; W582-L693 WeakPolarHBondContact O-CA 3.27Å; W582-L693 PolarHBondContact O-N 3.11Å; Q583-L693 WeakPolarHBondContact O-CD1 3.46Å; D584-L693 VanDerWaalsContact CB-O 3.31Å; D584-L693 WeakPolarHBondContact CB-O 3.47Å; F604-L693 HydrophobicContact CE1-CD1 4.11Å; F604-L693 HydrophobicContact CE1-CD2 4.21Å; F604-L693 HydrophobicContact CE1-CG 4.28Å; F604-L693 HydrophobicContact CE2-CD1 4.48Å; F604-L693 HydrophobicContact CZ-CD1 3.83Å; F604-L693 HydrophobicContact CZ-CG 4.44Å; F645-L693 HydrophobicContact CE1-CD2 3.86Å; F646-L693 HydrophobicContact CE1-CB 4.27Å; F646-L693 HydrophobicContact CE1-CD2 4.06Å; F646-L693 HydrophobicContact CZ-CD2 4.13Å; I655-L693 HydrophobicContact CD1-CD1 3.86Å; I655-L693 HydrophobicContact CG1-CD1 4.07Å; I655-L693 HydrophobicContact CG2-CD1 4.35Å; Y658-L693 HydrophobicContact CD1-CD2 4.14Å; Y658-L693 HydrophobicContact CE1-CD2 4.48Å; R689-L693 PolarHBondContact O-N 3.15Å; A690-L693 PolarHBondContact O-N 2.99Å; L693-P695 VanDerWaalsContact C-CD 3.44Å
694	L	97.8	Very high	98	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	17%	0.17	C	C	.	.			trans	-130.1	59.5	-171.5	-54.7	175	0	0	0	110.6	F604 P605 L608 F646 Y658 A690 K696 A697 Y768	F604-L694 HydrophobicContact CB-CD2 3.67Å; F604-L694 HydrophobicContact CD1-CD2 3.87Å; F604-L694 HydrophobicContact CD2-CD2 4.46Å; F604-L694 HydrophobicContact CG-CD2 3.77Å; P605-L694 HydrophobicContact CG-CD1 3.89Å; L608-L694 HydrophobicContact CD1-CD1 4.18Å; L608-L694 HydrophobicContact CD2-CD1 4Å; L608-L694 HydrophobicContact CG-CD1 4.4Å; F646-L694 HydrophobicContact CE2-CD1 3.96Å; F646-L694 HydrophobicContact CZ-CD1 3.73Å; F646-L694 HydrophobicContact CZ-CG 4.26Å; Y658-L694 HydrophobicContact CE1-CD1 4.21Å; A690-L694 CarbonylContact O-C 3.56Å; A690-L694 WeakPolarHBondContact O-CA 3.32Å; A690-L694 WeakPolarHBondContact O-CB 3.48Å; A690-L694 PolarHBondContact O-N 3.09Å; L694-K696 PolarHBondContact O-N 2.81Å; L694-K696 VanDerWaalsContact O-N 3.15Å; L694-A697 HydrophobicContact CB-CB 3.83Å; L694-A697 WeakPolarHBondContact O-CB 3.3Å; L694-A697 PolarHBondContact O-N 2.77Å; L694-A697 VanDerWaalsContact O-N 3.1Å; L694-Y768 WeakPolarHBondContact O-CE1 3.35Å; L694-Y768 PolarHBondContact O-OH 2.97Å
695	P	97.2	Very high	98.1	Very high	47 Å²	47	29.3 Å²	29.3	31%	0.305	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-29.1	-173.1	23.9	-34	0	0	0	112.9	D584 E587 A691 L693 Q772	D584-P695 HydrophobicContact CB-CG 4.32Å; E587-P695 HydrophobicContact CG-CG 4.3Å; A691-P695 VanDerWaalsContact O-CA 3.26Å; A691-P695 WeakPolarHBondContact O-CA 3.32Å; A691-P695 WeakPolarHBondContact O-CB 3.4Å; L693-P695 VanDerWaalsContact C-CD 3.44Å; P695-Q772 PolarHBondContact O-NE2 2.88Å
696	K	96.7	Very high	98.1	Very high	142 Å²	142	26.3 Å²	26.3	62%	0.617	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-2.9	-178.1	-64.4	173.4	-177	163.5	0	113.9	E587 L694	E587-K696 WeakPolarHBondContact OE1-CE 3.4Å; E587-K696 IonicContact OE1-NZ 2.74Å; E587-K696 PolarHBondContact OE1-NZ 2.98Å; E587-K696 VanDerWaalsContact OE2-CE 3.27Å; E587-K696 WeakPolarHBondContact OE2-CE 3.19Å; E587-K696 IonicContact OE2-NZ 3.18Å; E587-K696 PolarHBondContact OE2-NZ 3.24Å; L694-K696 PolarHBondContact O-N 2.81Å; L694-K696 VanDerWaalsContact O-N 3.15Å
697	A	97.7	Very high	98.1	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.033	13%	0.126	C	C	.	.			trans	-62	147.3	-179.3	0	0	0	0	0	111.7	K606 L608 L694 Y768 Q772	K606-A697 WeakPolarHBondContact O-CA 3.38Å; L608-A697 HydrophobicContact CG-CB 4.45Å; L694-A697 HydrophobicContact CB-CB 3.83Å; L694-A697 WeakPolarHBondContact O-CB 3.3Å; L694-A697 PolarHBondContact O-N 2.77Å; L694-A697 VanDerWaalsContact O-N 3.1Å; A697-Y768 HydrophobicContact CB-CE1 4.37Å; A697-Y768 WeakPolarHBondContact O-CE1 3.37Å; A697-Q772 PolarHBondContact O-NE2 3.36Å
698	K	98.6	Very high	98.1	Very high	56 Å²	56	28.8 Å²	28.8	24%	0.243	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	142.3	165.2	-64.3	-65.6	-171.8	162.9	0	108.8	K606 L607 L608 N771 Q772 F795 L796	K606-K698 PolarHBondContact O-N 3.1Å; L607-K698 CarbonylContact C-O 3.54Å; L607-K698 WeakPolarHBondContact CA-O 3.09Å; L607-K698 HydrophobicContact CD1-CB 3.96Å; L608-K698 PolarHBondContact N-O 2.65Å; K698-N771 PolarHBondContact NZ-O 2.79Å; K698-Q772 CarbonylContact C-O 3.54Å; K698-F795 HydrophobicContact CB-CE1 3.7Å; K698-F795 HydrophobicContact CB-CZ 3.9Å; K698-F795 HydrophobicContact CD-CE1 4.09Å; K698-F795 HydrophobicContact CD-CE2 4.05Å; K698-F795 HydrophobicContact CD-CZ 3.66Å; K698-F795 HydrophobicContact CG-CE1 4.16Å; K698-F795 HydrophobicContact CG-CZ 4.2Å; K698-L796 HydrophobicContact CB-CD2 4.34Å; K698-L796 HydrophobicContact CG-CD2 4.44Å
699	V	98.9	Very high	98.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.5	-179.3	177.1	0	0	0	0	108.5	I610 W764 Y768 Q772 I773 L774	I610-V699 HydrophobicContact CD1-CG1 3.63Å; I610-V699 HydrophobicContact CG1-CG1 4.02Å; I610-V699 HydrophobicContact CG2-CG1 3.85Å; V699-W764 HydrophobicContact CG1-CD2 4.36Å; V699-W764 HydrophobicContact CG1-CE3 3.83Å; V699-W764 HydrophobicContact CG1-CZ3 4.22Å; V699-W764 HydrophobicContact CG2-CE3 4.11Å; V699-W764 HydrophobicContact CG2-CZ3 4.13Å; V699-Y768 HydrophobicContact CG2-CD1 3.97Å; V699-Y768 HydrophobicContact CG2-CD2 3.85Å; V699-Y768 HydrophobicContact CG2-CE1 4.07Å; V699-Y768 HydrophobicContact CG2-CE2 3.93Å; V699-Y768 HydrophobicContact CG2-CG 3.86Å; V699-Q772 PolarHBondContact N-O 3.09Å; V699-I773 HydrophobicContact CB-CG1 4.13Å; V699-I773 HydrophobicContact CG1-CG1 4.47Å; V699-I773 CarbonylContact O-C 3.6Å; V699-I773 VanDerWaalsContact O-CA 3.28Å; V699-I773 WeakPolarHBondContact O-CA 3.42Å; V699-L774 PolarHBondContact O-N 3.21Å
700	L	98.8	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127	-178	-171.3	166.3	0	0	0	110.3	L607 L608 I609 I610 L620 I702 L774 L776 V792	L607-L700 HydrophobicContact CD1-CB 3.81Å; L607-L700 HydrophobicContact CD1-CD1 4.39Å; L608-L700 PolarHBondContact O-N 3.42Å; I609-L700 CarbonylContact C-O 3.55Å; I609-L700 WeakPolarHBondContact CA-O 3.33Å; I609-L700 HydrophobicContact CG2-CD2 4.31Å; I610-L700 WeakPolarHBondContact CG1-O 3.32Å; I610-L700 PolarHBondContact N-O 3.43Å; L620-L700 HydrophobicContact CD2-CD1 3.94Å; L620-L700 HydrophobicContact CD2-CD2 3.35Å; L620-L700 HydrophobicContact CD2-CG 4.31Å; L700-I702 HydrophobicContact CD2-CG1 3.84Å; L700-L774 WeakPolarHBondContact CA-O 3.25Å; L700-L774 HydrophobicContact CD1-CD2 4.26Å; L700-L774 HydrophobicContact CG-CB 4.46Å; L700-L774 HydrophobicContact CG-CD2 4.46Å; L700-L776 HydrophobicContact CD1-CD1 4.09Å; L700-L776 HydrophobicContact CD2-CD1 3.65Å; L700-L776 HydrophobicContact CD2-CG 4.03Å; L700-L776 HydrophobicContact CG-CD1 4.12Å; L700-L776 HydrophobicContact CG-CG 4.3Å; L700-V792 HydrophobicContact CD1-CG1 4Å; L700-V792 HydrophobicContact CD1-CG2 3.98Å
701	T	98.9	Very high	98.2	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	150.4	173.9	-176.4	0	0	0	0	110.9	G611 F681 L774 V775 L776	G611-T701 WeakPolarHBondContact O-CA 3.26Å; G611-T701 PolarHBondContact O-OG1 3.41Å; F681-T701 VanDerWaalsContact CD2-OG1 3.31Å; F681-T701 WeakPolarHBondContact CD2-OG1 3.37Å; F681-T701 HydrophobicContact CE2-CG2 4.4Å; F681-T701 VanDerWaalsContact CE2-OG1 3.24Å; F681-T701 WeakPolarHBondContact CE2-OG1 3.28Å; T701-L774 PolarHBondContact N-O 3.1Å; T701-V775 HydrophobicContact CG2-CB 4.19Å; T701-V775 HydrophobicContact CG2-CG1 4.17Å; T701-V775 HydrophobicContact CG2-CG2 3.75Å; T701-L776 PolarHBondContact O-N 2.99Å
702	I	98.8	Very high	98.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.6	-177.8	-45.9	170.5	0	0	0	108.8	G611 P612 T615 T617 L620 L700 L776 L781	G611-I702 PolarHBondContact O-N 2.89Å; P612-I702 WeakPolarHBondContact CD-O 3.48Å; T615-I702 WeakPolarHBondContact CB-O 3.29Å; T615-I702 WeakPolarHBondContact CG2-O 3.39Å; T615-I702 WeakPolarHBondContact O-CG2 3.34Å; T615-I702 PolarHBondContact OG1-O 3.29Å; T617-I702 HydrophobicContact CG2-CD1 4.14Å; L620-I702 HydrophobicContact CB-CD1 3.84Å; L620-I702 HydrophobicContact CD2-CD1 3.55Å; L620-I702 HydrophobicContact CD2-CG1 4.03Å; L620-I702 HydrophobicContact CG-CD1 4.33Å; L700-I702 HydrophobicContact CD2-CG1 3.84Å; I702-L776 HydrophobicContact CB-CB 4.48Å; I702-L776 HydrophobicContact CG1-CB 4.33Å; I702-L776 HydrophobicContact CG1-CD1 4.33Å; I702-L776 HydrophobicContact CG2-CB 4.28Å; I702-L781 HydrophobicContact CD1-CD2 4.07Å; I702-L781 HydrophobicContact CG2-CD2 4.19Å
703	L	98.7	Very high	98.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.3	-176.6	-51.5	-175.6	0	0	0	111.4	P612 F681 Y757 I761 V775 L776 G778 L859 W873	P612-L703 HydrophobicContact CG-CD2 4.4Å; F681-L703 HydrophobicContact CE2-CD2 4.41Å; F681-L703 HydrophobicContact CZ-CD2 4.2Å; L703-Y757 HydrophobicContact CB-CD2 4.35Å; L703-Y757 HydrophobicContact CB-CE2 4.22Å; L703-Y757 HydrophobicContact CD1-CD2 4.03Å; L703-Y757 HydrophobicContact CD1-CG 4.21Å; L703-Y757 HydrophobicContact CD2-CD1 3.86Å; L703-Y757 HydrophobicContact CD2-CD2 4.08Å; L703-Y757 HydrophobicContact CD2-CE1 4.15Å; L703-Y757 HydrophobicContact CD2-CE2 4.35Å; L703-Y757 HydrophobicContact CD2-CG 3.82Å; L703-Y757 HydrophobicContact CG-CD2 4.39Å; L703-I761 HydrophobicContact CD1-CD1 4.15Å; L703-V775 HydrophobicContact CD1-CG1 3.56Å; L703-V775 HydrophobicContact CG-CG1 3.85Å; L703-L776 PolarHBondContact N-O 3.45Å; L703-G778 PolarHBondContact O-N 2.78Å; L703-L859 HydrophobicContact CD1-CD1 4.18Å; L703-L859 HydrophobicContact CD1-CD2 4.1Å; L703-W873 HydrophobicContact CB-CZ2 4.06Å; L703-W873 PolarHBondContact O-NE1 2.88Å
704	I	98.4	Very high	98.2	Very high	31 Å²	31	21 Å²	21	16%	0.159	10%	0.104	C	C	.	.			trans	-115.4	171.5	163.9	67.6	177.5	0	0	0	109	K614 T615 R709 Y757 W873	K614-I704 WeakPolarHBondContact O-CD1 3.44Å; T615-I704 HydrophobicContact CG2-CG1 4.1Å; I704-R709 HydrophobicContact CD1-CB 4Å; I704-R709 HydrophobicContact CG1-CB 3.78Å; I704-R709 HydrophobicContact CG1-CG 4.49Å; I704-Y757 WeakPolarHBondContact O-CE2 3.3Å; I704-Y757 PolarHBondContact O-OH 3.08Å; I704-W873 VanDerWaalsContact C-CE2 3.44Å; I704-W873 WeakPolarHBondContact O-CZ2 3.45Å
705	N	98.2	Very high	98.3	Very high	29 Å²	29	21.8 Å²	21.8	16%	0.155	11%	0.108	C	C	.	.			trans	-48.8	125.9	174.3	-177.1	-57.1	0	0	0	110.6	A707 D708 R709 W873	N705-A707 PolarHBondContact O-N 2.82Å; N705-A707 VanDerWaalsContact OD1-CB 3.29Å; N705-A707 WeakPolarHBondContact OD1-CB 3.41Å; N705-A707 PolarHBondContact OD1-N 2.91Å; N705-D708 HydrophobicContact CB-CB 4.38Å; N705-D708 WeakPolarHBondContact CB-OD2 3.32Å; N705-D708 PolarHBondContact O-N 3.05Å; N705-D708 VanDerWaalsContact O-N 3.12Å; N705-R709 PolarHBondContact O-N 3.27Å; N705-W873 HydrophobicContact CB-CB 4.41Å; N705-W873 HydrophobicContact CB-CD2 4.16Å; N705-W873 HydrophobicContact CB-CE3 3.97Å; N705-W873 HydrophobicContact CB-CG 4.37Å
706	P	98.4	Very high	98.3	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-64.2	-26.7	-171.1	26.6	-36	0	0	0	112.9	A710 Y757 Y852 W873	P706-A710 WeakPolarHBondContact O-CB 3.45Å; P706-A710 PolarHBondContact O-N 2.78Å; P706-Y757 HydrophobicContact CB-CE2 3.98Å; P706-Y757 HydrophobicContact CG-CE2 4.46Å; P706-Y852 HydrophobicContact CB-CD1 4Å; P706-Y852 HydrophobicContact CB-CD2 3.72Å; P706-Y852 HydrophobicContact CB-CE1 3.95Å; P706-Y852 HydrophobicContact CB-CE2 3.67Å; P706-Y852 HydrophobicContact CB-CG 3.88Å; P706-Y852 HydrophobicContact CG-CD1 4.11Å; P706-Y852 HydrophobicContact CG-CD2 3.6Å; P706-Y852 HydrophobicContact CG-CE2 4.1Å; P706-Y852 HydrophobicContact CG-CG 3.6Å; P706-W873 HydrophobicContact CG-CZ3 4.4Å
707	A	98.2	Very high	98.3	Very high	3 Å²	3	16.5 Å²	16.5	3%	0.025	8%	0.081	C	C	.	.	H	α-helix	trans	-67.5	-48.2	172.9	0	0	0	0	0	111.6	N705 R709 A710 Y711 M840 L848	N705-A707 PolarHBondContact O-N 2.82Å; N705-A707 VanDerWaalsContact OD1-CB 3.29Å; N705-A707 WeakPolarHBondContact OD1-CB 3.41Å; N705-A707 PolarHBondContact OD1-N 2.91Å; A707-R709 VanDerWaalsContact C-N 3.28Å; A707-R709 PolarHBondContact O-N 3.25Å; A707-A710 PolarHBondContact O-N 2.83Å; A707-Y711 WeakPolarHBondContact O-CB 3.23Å; A707-Y711 PolarHBondContact O-N 3.27Å; A707-M840 HydrophobicContact CB-CE 4.03Å; A707-L848 HydrophobicContact CB-CB 3.62Å; A707-L848 HydrophobicContact CB-CD1 3.79Å; A707-L848 HydrophobicContact CB-CG 4.35Å
708	D	98.1	Very high	98.3	Very high	54 Å²	54	20 Å²	20	29%	0.289	9%	0.093	S	C	.	.	H	α-helix	trans	-66.1	-32.7	177.3	-61.5	-46.3	0	0	0	111.5	N705 S712 R845	N705-D708 HydrophobicContact CB-CB 4.38Å; N705-D708 WeakPolarHBondContact CB-OD2 3.32Å; N705-D708 PolarHBondContact O-N 3.05Å; N705-D708 VanDerWaalsContact O-N 3.12Å; D708-S712 WeakPolarHBondContact O-CB 3.37Å; D708-S712 PolarHBondContact O-N 2.9Å; D708-R845 IonicContact OD1-CZ 2.68Å; D708-R845 IonicContact OD1-NH1 3.14Å; D708-R845 PolarHBondContact OD1-NH1 3.19Å; D708-R845 VanDerWaalsContact OD1-NH1 3.11Å; D708-R845 IonicContact OD1-NH2 3.92Å; D708-R845 PolarHBondContact OD1-NH2 2.83Å; D708-R845 IonicContact OD2-NH1 3.43Å
709	R	98.4	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.1	-48	172.2	-175.4	-95.3	158.9	-157.4	-2.6	111.6	Q613 K614 T615 I704 N705 A707 S712 W713 R750 C751	Q613-R709 PolarHBondContact O-NE 2.89Å; K614-R709 HydrophobicContact CB-CG 4.47Å; T615-R709 HydrophobicContact CG2-CG 4.11Å; I704-R709 HydrophobicContact CD1-CB 4Å; I704-R709 HydrophobicContact CG1-CB 3.78Å; I704-R709 HydrophobicContact CG1-CG 4.49Å; N705-R709 PolarHBondContact O-N 3.27Å; A707-R709 VanDerWaalsContact C-N 3.28Å; A707-R709 PolarHBondContact O-N 3.25Å; R709-S712 PolarHBondContact O-N 2.88Å; R709-W713 PolarHBondContact O-N 3.37Å; R709-R750 PolarHBondContact NH1-O 3.37Å; R709-C751 PolarHBondContact NH1-O 2.91Å
710	A	98.5	Very high	98.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.6	-43.6	177.7	0	0	0	0	0	111.5	P706 A707 W713 Y714 F730 C751 L752	P706-A710 WeakPolarHBondContact O-CB 3.45Å; P706-A710 PolarHBondContact O-N 2.78Å; A707-A710 PolarHBondContact O-N 2.83Å; A710-W713 WeakPolarHBondContact O-CB 3.35Å; A710-W713 PolarHBondContact O-N 3.34Å; A710-Y714 PolarHBondContact O-N 2.99Å; A710-F730 HydrophobicContact CB-CZ 4.13Å; A710-C751 HydrophobicContact CB-CB 4.2Å; A710-C751 VanDerWaalsContact CB-O 3.26Å; A710-C751 WeakPolarHBondContact CB-O 3.47Å; A710-C751 PolarHBondContact O-SG 3.39Å; A710-L752 HydrophobicContact CB-CD2 4.31Å
711	Y	98.4	Very high	98	Very high	19 Å²	19	30.6 Å²	30.6	8%	0.075	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-42.8	176.9	-173.5	-124.6	0	0	0	112.3	A707 W713 Y714 Q715 F730 Y837 P838 M840	A707-Y711 WeakPolarHBondContact O-CB 3.23Å; A707-Y711 PolarHBondContact O-N 3.27Å; Y711-W713 VanDerWaalsContact C-N 3.26Å; Y711-W713 PolarHBondContact O-N 3.04Å; Y711-Y714 HydrophobicContact CD2-CD1 4.12Å; Y711-Y714 HydrophobicContact CE2-CD1 4.07Å; Y711-Y714 HydrophobicContact CE2-CE1 4.36Å; Y711-Y714 PolarHBondContact O-N 3.37Å; Y711-Q715 HydrophobicContact CD1-CG 4.49Å; Y711-Q715 HydrophobicContact CD2-CG 4.4Å; Y711-Q715 HydrophobicContact CE1-CG 4.21Å; Y711-Q715 HydrophobicContact CE2-CG 4.1Å; Y711-Q715 VanDerWaalsContact CZ-NE2 3.32Å; Y711-Q715 WeakPolarHBondContact O-CG 3.29Å; Y711-Q715 PolarHBondContact O-N 2.95Å; Y711-Q715 PolarHBondContact OH-NE2 2.57Å; Y711-F730 HydrophobicContact CD2-CB 4.14Å; Y711-F730 AromaticContact CD2-CD1 3.56Å; Y711-F730 HydrophobicContact CD2-CD1 3.56Å; Y711-F730 AromaticContact CD2-CD2 3.91Å; Y711-F730 HydrophobicContact CD2-CD2 3.91Å; Y711-F730 AromaticContact CD2-CE1 3.85Å; Y711-F730 HydrophobicContact CD2-CE1 3.85Å; Y711-F730 HydrophobicContact CD2-CE2 4.17Å; Y711-F730 AromaticContact CD2-CG 3.58Å; Y711-F730 HydrophobicContact CD2-CG 3.58Å; Y711-F730 HydrophobicContact CD2-CZ 4.13Å; Y711-F730 HydrophobicContact CE2-CB 4.09Å; Y711-F730 HydrophobicContact CE2-CD1 4.16Å; Y711-F730 HydrophobicContact CE2-CG 4.05Å; Y711-F730 HydrophobicContact CG-CD1 4.45Å; Y711-F730 HydrophobicContact CG-CE1 4.35Å; Y711-Y837 HydrophobicContact CD1-CD2 4.38Å; Y711-Y837 AromaticContact CD1-CE2 3.92Å; Y711-Y837 HydrophobicContact CD1-CE2 3.92Å; Y711-Y837 AromaticContact CE1-CD2 3.68Å; Y711-Y837 HydrophobicContact CE1-CD2 3.68Å; Y711-Y837 AromaticContact CE1-CE2 3.67Å; Y711-Y837 HydrophobicContact CE1-CE2 3.67Å; Y711-P838 VanDerWaalsContact CE1-O 3.31Å; Y711-P838 WeakPolarHBondContact CE1-O 3.39Å; Y711-P838 PolarHBondContact OH-O 3.27Å; Y711-M840 HydrophobicContact CD1-CB 3.88Å; Y711-M840 HydrophobicContact CD2-CB 4.32Å; Y711-M840 HydrophobicContact CD2-CG 4.41Å; Y711-M840 HydrophobicContact CE1-CB 3.92Å; Y711-M840 HydrophobicContact CE2-CB 4.38Å; Y711-M840 HydrophobicContact CG-CB 4.08Å; Y711-M840 HydrophobicContact CG-CG 4.42Å; Y711-M840 HydrophobicContact CG-SD 4.3Å
712	S	97.9	Very high	98	Very high	17 Å²	17	32.3 Å²	32.3	12%	0.119	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-31.6	175	-173.6	0	0	0	0	112.5	K614 D708 R709 H716	K614-S712 VanDerWaalsContact CE-O 3.3Å; K614-S712 WeakPolarHBondContact CE-O 3.25Å; K614-S712 VanDerWaalsContact CE-OG 3.26Å; K614-S712 WeakPolarHBondContact CE-OG 3.5Å; D708-S712 WeakPolarHBondContact O-CB 3.37Å; D708-S712 PolarHBondContact O-N 2.9Å; R709-S712 PolarHBondContact O-N 2.88Å; S712-H716 VanDerWaalsContact O-CB 3.31Å; S712-H716 WeakPolarHBondContact O-CB 2.81Å; S712-H716 PolarHBondContact O-N 2.89Å
713	W	98.3	Very high	97.9	Very high	19 Å²	19	37.2 Å²	37.2	7%	0.072	20%	0.197	C	C	.	.	H	α-helix	trans	-69.8	-47.4	171.7	-179	-103	0	0	0	111.7	Q613 K614 R709 A710 Y711 Q715 H716 Q717	Q613-W713 HydrophobicContact CB-CE3 4.32Å; Q613-W713 HydrophobicContact CB-CZ3 4.31Å; Q613-W713 VanDerWaalsContact CD-CZ3 3.42Å; Q613-W713 HydrophobicContact CG-CZ3 4.46Å; K614-W713 HydrophobicContact CD-CE3 3.95Å; K614-W713 HydrophobicContact CG-CB 4.08Å; K614-W713 HydrophobicContact CG-CE3 3.89Å; R709-W713 PolarHBondContact O-N 3.37Å; A710-W713 WeakPolarHBondContact O-CB 3.35Å; A710-W713 PolarHBondContact O-N 3.34Å; Y711-W713 VanDerWaalsContact C-N 3.26Å; Y711-W713 PolarHBondContact O-N 3.04Å; W713-Q715 VanDerWaalsContact C-N 3.34Å; W713-Q715 PolarHBondContact O-N 2.8Å; W713-H716 WeakPolarHBondContact O-CA 3.3Å; W713-H716 VanDerWaalsContact O-CB 3.23Å; W713-H716 WeakPolarHBondContact O-CB 3.37Å; W713-H716 PolarHBondContact O-N 3.46Å; W713-Q717 HydrophobicContact CZ2-CG 4.27Å; W713-Q717 PolarHBondContact O-N 2.86Å
714	Y	98.4	Very high	97.8	Very high	12 Å²	12	38.1 Å²	38.1	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-55.8	-48	174.7	165.1	-101.5	0	0	0	112	A710 Y711 H716 Q717 R718 A725 Y728 F730 V733	A710-Y714 PolarHBondContact O-N 2.99Å; Y711-Y714 HydrophobicContact CD2-CD1 4.12Å; Y711-Y714 HydrophobicContact CE2-CD1 4.07Å; Y711-Y714 HydrophobicContact CE2-CE1 4.36Å; Y711-Y714 PolarHBondContact O-N 3.37Å; Y714-H716 PolarHBondContact O-N 3.32Å; Y714-Q717 PolarHBondContact O-N 2.96Å; Y714-Q717 VanDerWaalsContact O-N 3.12Å; Y714-R718 HydrophobicContact CE1-CG 4.37Å; Y714-R718 HydrophobicContact CE2-CG 4.3Å; Y714-R718 VanDerWaalsContact CZ-CD 3.44Å; Y714-R718 PolarHBondContact O-N 2.85Å; Y714-R718 WeakPolarHBondContact OH-CD 3.29Å; Y714-R718 PolarHBondContact OH-NH1 3.32Å; Y714-R718 VanDerWaalsContact OH-NH1 3.11Å; Y714-A725 HydrophobicContact CD2-CB 4.21Å; Y714-A725 HydrophobicContact CE2-CB 4.21Å; Y714-A725 WeakPolarHBondContact CE2-O 3.37Å; Y714-A725 PolarHBondContact OH-O 3.19Å; Y714-Y728 PolarHBondContact OH-O 2.9Å; Y714-F730 HydrophobicContact CD1-CB 3.88Å; Y714-F730 AromaticContact CD1-CD2 3.7Å; Y714-F730 HydrophobicContact CD1-CD2 3.7Å; Y714-F730 HydrophobicContact CD1-CG 4.1Å; Y714-F730 HydrophobicContact CD2-CD2 4.07Å; Y714-F730 HydrophobicContact CE1-CB 3.72Å; Y714-F730 HydrophobicContact CE1-CD2 4.38Å; Y714-F730 HydrophobicContact CE1-CG 4.45Å; Y714-F730 HydrophobicContact CG-CB 4.35Å; Y714-F730 AromaticContact CG-CD2 3.51Å; Y714-F730 HydrophobicContact CG-CD2 3.51Å; Y714-F730 HydrophobicContact CG-CE2 4.26Å; Y714-F730 HydrophobicContact CG-CG 4.33Å; Y714-F730 PolarHBondContact OH-N 3.47Å; Y714-V733 HydrophobicContact CD2-CG2 4.22Å; Y714-V733 HydrophobicContact CE2-CG2 4.1Å
715	Q	98.3	Very high	97.7	Very high	23 Å²	23	36.7 Å²	36.7	11%	0.107	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-28.1	177	-67.2	-67.6	15.8	0	0	112.9	Y711 W713 A719 Y837	Y711-Q715 HydrophobicContact CD1-CG 4.49Å; Y711-Q715 HydrophobicContact CD2-CG 4.4Å; Y711-Q715 HydrophobicContact CE1-CG 4.21Å; Y711-Q715 HydrophobicContact CE2-CG 4.1Å; Y711-Q715 VanDerWaalsContact CZ-NE2 3.32Å; Y711-Q715 WeakPolarHBondContact O-CG 3.29Å; Y711-Q715 PolarHBondContact O-N 2.95Å; Y711-Q715 PolarHBondContact OH-NE2 2.57Å; W713-Q715 VanDerWaalsContact C-N 3.34Å; W713-Q715 PolarHBondContact O-N 2.8Å; Q715-A719 WeakPolarHBondContact O-CB 3.43Å; Q715-A719 PolarHBondContact O-N 3.49Å; Q715-A719 VanDerWaalsContact O-N 3.11Å; Q715-Y837 HydrophobicContact CB-CD1 3.72Å; Q715-Y837 HydrophobicContact CB-CE1 3.88Å; Q715-Y837 HydrophobicContact CB-CG 4.1Å; Q715-Y837 HydrophobicContact CG-CD1 3.85Å; Q715-Y837 HydrophobicContact CG-CD2 3.87Å; Q715-Y837 HydrophobicContact CG-CE1 4.17Å; Q715-Y837 HydrophobicContact CG-CE2 4.19Å; Q715-Y837 HydrophobicContact CG-CG 3.69Å
716	H	97.3	Very high	97.7	Very high	42 Å²	42	38.9 Å²	38.9	19%	0.194	21%	0.206	C	C	.	.	H	α-helix	trans	-66.4	-44.2	171.8	-179	-95.3	0	0	0	112	K614 S712 W713 Y714 A719 H720	K614-H716 HydrophobicContact CD-CB 4.23Å; K614-H716 PolarHBondContact NZ-CD2 2.81Å; S712-H716 VanDerWaalsContact O-CB 3.31Å; S712-H716 WeakPolarHBondContact O-CB 2.81Å; S712-H716 PolarHBondContact O-N 2.89Å; W713-H716 WeakPolarHBondContact O-CA 3.3Å; W713-H716 VanDerWaalsContact O-CB 3.23Å; W713-H716 WeakPolarHBondContact O-CB 3.37Å; W713-H716 PolarHBondContact O-N 3.46Å; Y714-H716 PolarHBondContact O-N 3.32Å; H716-A719 PolarHBondContact O-N 3.22Å; H716-H720 AromaticContact CD2-CE1 3.59Å; H716-H720 AromaticContact CD2-ND1 3.92Å; H716-H720 AromaticContact CE1-CE1 3.34Å; H716-H720 PolarHBondContact CE1-CE1 2.82Å; H716-H720 AromaticContact CE1-ND1 3.55Å; H716-H720 AromaticContact ND1-CE1 3.98Å; H716-H720 AromaticContact ND1-ND1 3.79Å; H716-H720 AromaticContact NE2-CE1 3.11Å; H716-H720 PolarHBondContact NE2-CE1 2.88Å; H716-H720 AromaticContact NE2-ND1 3.7Å; H716-H720 AromaticContact NE2-NE2 3.99Å; H716-H720 PolarHBondContact O-N 2.73Å; H716-H720 PolarHBondContact O-ND1 3.43Å
717	Q	97.9	Very high	97.6	Very high	35 Å²	35	45.9 Å²	45.9	16%	0.164	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-42.6	177.7	-65.8	-52.6	102.1	0	0	111.3	W713 Y714 A719 H720 D721 D722 A725 L747	W713-Q717 HydrophobicContact CZ2-CG 4.27Å; W713-Q717 PolarHBondContact O-N 2.86Å; Y714-Q717 PolarHBondContact O-N 2.96Å; Y714-Q717 VanDerWaalsContact O-N 3.12Å; Q717-A719 VanDerWaalsContact C-N 3.29Å; Q717-A719 PolarHBondContact O-N 3.37Å; Q717-H720 CarbonylContact O-C 3.42Å; Q717-H720 PolarHBondContact O-N 2.89Å; Q717-D721 PolarHBondContact O-N 3.05Å; Q717-D722 HydrophobicContact CB-CB 3.78Å; Q717-D722 PolarHBondContact NE2-OD2 3.13Å; Q717-D722 VanDerWaalsContact NE2-OD2 3.17Å; Q717-D722 VanDerWaalsContact O-CB 3.31Å; Q717-D722 WeakPolarHBondContact O-CB 3.33Å; Q717-D722 PolarHBondContact O-N 2.95Å; Q717-A725 HydrophobicContact CB-CB 3.7Å; Q717-L747 HydrophobicContact CB-CD1 4.28Å; Q717-L747 HydrophobicContact CG-CD1 3.83Å
718	R	97.3	Very high	97.6	Very high	79 Å²	79	48.2 Å²	48.2	30%	0.298	25%	0.245	S	C	.	.	H	α-helix	trans	-57	-41.5	172.2	-71	-170.9	69.7	98.1	1.9	113	Y714 H720 D721 A725 L726	Y714-R718 HydrophobicContact CE1-CG 4.37Å; Y714-R718 HydrophobicContact CE2-CG 4.3Å; Y714-R718 VanDerWaalsContact CZ-CD 3.44Å; Y714-R718 PolarHBondContact O-N 2.85Å; Y714-R718 WeakPolarHBondContact OH-CD 3.29Å; Y714-R718 PolarHBondContact OH-NH1 3.32Å; Y714-R718 VanDerWaalsContact OH-NH1 3.11Å; R718-H720 PolarHBondContact O-N 2.85Å; R718-D721 PolarHBondContact O-N 3.09Å; R718-D721 VanDerWaalsContact O-N 3.12Å; R718-A725 WeakPolarHBondContact CD-O 3.13Å; R718-A725 HydrophobicContact CG-CB 3.72Å; R718-A725 VanDerWaalsContact CG-O 3.23Å; R718-A725 WeakPolarHBondContact CG-O 3.23Å; R718-A725 PolarHBondContact NH1-O 2.94Å; R718-L726 HydrophobicContact CB-CD2 4.28Å; R718-L726 HydrophobicContact CG-CD2 4.4Å; R718-L726 PolarHBondContact NH1-O 2.83Å; R718-L726 VanDerWaalsContact NH1-O 3.15Å
719	A	96.4	Very high	97.6	Very high	50 Å²	50	49.2 Å²	49.2	41%	0.413	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-7.1	179.4	0	0	0	0	0	114.4	Q715 H716 Q717	Q715-A719 WeakPolarHBondContact O-CB 3.43Å; Q715-A719 PolarHBondContact O-N 3.49Å; Q715-A719 VanDerWaalsContact O-N 3.11Å; H716-A719 PolarHBondContact O-N 3.22Å; Q717-A719 VanDerWaalsContact C-N 3.29Å; Q717-A719 PolarHBondContact O-N 3.37Å
720	H	96.3	Very high	97.6	Very high	107 Å²	107	49.5 Å²	49.5	50%	0.495	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	22.7	170	-67.1	81.1	0	0	0	111	H716 Q717 R718 D722 R835	H716-H720 AromaticContact CD2-CE1 3.59Å; H716-H720 AromaticContact CD2-ND1 3.92Å; H716-H720 AromaticContact CE1-CE1 3.34Å; H716-H720 PolarHBondContact CE1-CE1 2.82Å; H716-H720 AromaticContact CE1-ND1 3.55Å; H716-H720 AromaticContact ND1-CE1 3.98Å; H716-H720 AromaticContact ND1-ND1 3.79Å; H716-H720 AromaticContact NE2-CE1 3.11Å; H716-H720 PolarHBondContact NE2-CE1 2.88Å; H716-H720 AromaticContact NE2-ND1 3.7Å; H716-H720 AromaticContact NE2-NE2 3.99Å; H716-H720 PolarHBondContact O-N 2.73Å; H716-H720 PolarHBondContact O-ND1 3.43Å; Q717-H720 CarbonylContact O-C 3.42Å; Q717-H720 PolarHBondContact O-N 2.89Å; R718-H720 PolarHBondContact O-N 2.85Å; H720-D722 PolarHBondContact O-N 3.31Å; H720-D722 VanDerWaalsContact O-N 3.15Å; H720-R835 PolarHBondContact CE1-NH2 2.92Å
721	D	97.4	Very high	97.6	Very high	120 Å²	120	52.7 Å²	52.7	64%	0.642	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	33.4	174.6	-54.4	-50.6	0	0	0	114.4	Q717 R718 P723 L726	Q717-D721 PolarHBondContact O-N 3.05Å; R718-D721 PolarHBondContact O-N 3.09Å; R718-D721 VanDerWaalsContact O-N 3.12Å; D721-P723 VanDerWaalsContact O-CD 3.29Å; D721-P723 WeakPolarHBondContact O-CD 3.2Å; D721-L726 HydrophobicContact CB-CD1 4.27Å
722	D	97.8	Very high	97.5	Very high	37 Å²	37	56 Å²	56	20%	0.198	29%	0.285	C	S	.	.			trans	-60	118.8	172.4	-178.3	-58.4	0	0	0	109.6	Q717 H720 V724 A725 L726	Q717-D722 HydrophobicContact CB-CB 3.78Å; Q717-D722 PolarHBondContact NE2-OD2 3.13Å; Q717-D722 VanDerWaalsContact NE2-OD2 3.17Å; Q717-D722 VanDerWaalsContact O-CB 3.31Å; Q717-D722 WeakPolarHBondContact O-CB 3.33Å; Q717-D722 PolarHBondContact O-N 2.95Å; H720-D722 PolarHBondContact O-N 3.31Å; H720-D722 VanDerWaalsContact O-N 3.15Å; D722-V724 PolarHBondContact O-N 3.37Å; D722-V724 WeakPolarHBondContact OD1-CA 3.1Å; D722-V724 WeakPolarHBondContact OD1-CB 3.42Å; D722-V724 PolarHBondContact OD1-N 3Å; D722-A725 HydrophobicContact CB-CB 3.91Å; D722-A725 PolarHBondContact O-N 3.49Å; D722-A725 PolarHBondContact OD1-N 3.3Å; D722-L726 WeakPolarHBondContact O-CG 3.21Å; D722-L726 PolarHBondContact O-N 2.85Å
723	P	96.8	Very high	97.5	Very high	104 Å²	104	55.2 Å²	55.2	68%	0.675	28%	0.28	S	S	*	.	H	α-helix	trans	-62	-31.6	-172.9	-25.5	34.5	0	0	0	113.7	D721 K727	D721-P723 VanDerWaalsContact O-CD 3.29Å; D721-P723 WeakPolarHBondContact O-CD 3.2Å; P723-K727 WeakPolarHBondContact O-CB 3.2Å; P723-K727 PolarHBondContact O-N 2.97Å
724	V	97	Very high	97.5	Very high	19 Å²	19	54.4 Å²	54.4	12%	0.115	28%	0.277	C	S	.	.	H	α-helix	trans	-74	-47.1	179.5	-177.4	0	0	0	0	109.1	D722 L726 K727 Y728 K743 L744 L747	D722-V724 PolarHBondContact O-N 3.37Å; D722-V724 WeakPolarHBondContact OD1-CA 3.1Å; D722-V724 WeakPolarHBondContact OD1-CB 3.42Å; D722-V724 PolarHBondContact OD1-N 3Å; V724-L726 VanDerWaalsContact C-N 3.25Å; V724-L726 PolarHBondContact O-N 3.31Å; V724-K727 PolarHBondContact O-N 2.77Å; V724-Y728 HydrophobicContact CG1-CD2 3.73Å; V724-Y728 HydrophobicContact CG1-CE2 4.06Å; V724-Y728 WeakPolarHBondContact O-CD2 3.23Å; V724-Y728 PolarHBondContact O-N 3.29Å; V724-K743 HydrophobicContact CG2-CB 3.8Å; V724-L744 HydrophobicContact CG1-CB 4.27Å; V724-L744 HydrophobicContact CG1-CD1 3.87Å; V724-L747 HydrophobicContact CB-CD2 4.09Å; V724-L747 HydrophobicContact CG1-CB 4.22Å; V724-L747 HydrophobicContact CG1-CD2 3.75Å
725	A	96.9	Very high	97.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.5	-30	179.6	0	0	0	0	0	112.4	Y714 Q717 R718 D722 L747	Y714-A725 HydrophobicContact CD2-CB 4.21Å; Y714-A725 HydrophobicContact CE2-CB 4.21Å; Y714-A725 WeakPolarHBondContact CE2-O 3.37Å; Y714-A725 PolarHBondContact OH-O 3.19Å; Q717-A725 HydrophobicContact CB-CB 3.7Å; R718-A725 WeakPolarHBondContact CD-O 3.13Å; R718-A725 HydrophobicContact CG-CB 3.72Å; R718-A725 VanDerWaalsContact CG-O 3.23Å; R718-A725 WeakPolarHBondContact CG-O 3.23Å; R718-A725 PolarHBondContact NH1-O 2.94Å; D722-A725 HydrophobicContact CB-CB 3.91Å; D722-A725 PolarHBondContact O-N 3.49Å; D722-A725 PolarHBondContact OD1-N 3.3Å; A725-L747 HydrophobicContact CB-CD2 3.76Å
726	L	97.6	Very high	97.2	Very high	75 Å²	75	56 Å²	56	39%	0.393	29%	0.291	S	S	.	.	H	α-helix	trans	-74.1	-40.4	173.7	-73.1	178.3	0	0	0	112.4	R718 D721 D722 V724	R718-L726 HydrophobicContact CB-CD2 4.28Å; R718-L726 HydrophobicContact CG-CD2 4.4Å; R718-L726 PolarHBondContact NH1-O 2.83Å; R718-L726 VanDerWaalsContact NH1-O 3.15Å; D721-L726 HydrophobicContact CB-CD1 4.27Å; D722-L726 WeakPolarHBondContact O-CG 3.21Å; D722-L726 PolarHBondContact O-N 2.85Å; V724-L726 VanDerWaalsContact C-N 3.25Å; V724-L726 PolarHBondContact O-N 3.31Å
727	K	97.6	Very high	96.9	Very high	148 Å²	148	55.6 Å²	55.6	64%	0.643	30%	0.298	S	S	*	.	H	α-helix	trans	-71.2	-45.8	-176.8	-179.3	179.7	178.8	-165.8	0	113.4	P723 V724	P723-K727 WeakPolarHBondContact O-CB 3.2Å; P723-K727 PolarHBondContact O-N 2.97Å; V724-K727 PolarHBondContact O-N 2.77Å
728	Y	97.4	Very high	96.3	Very high	53 Å²	53	59.3 Å²	59.3	21%	0.208	33%	0.328	C	S	.	.	S	Bend	trans	-102.1	146.2	-175.5	-58.8	-77.9	0	0	0	110.7	Y714 V724 E732 L744	Y714-Y728 PolarHBondContact OH-O 2.9Å; V724-Y728 HydrophobicContact CG1-CD2 3.73Å; V724-Y728 HydrophobicContact CG1-CE2 4.06Å; V724-Y728 WeakPolarHBondContact O-CD2 3.23Å; V724-Y728 PolarHBondContact O-N 3.29Å; Y728-E732 WeakPolarHBondContact CA-OE2 3.31Å; Y728-E732 HydrophobicContact CD1-CB 4.48Å; Y728-L744 HydrophobicContact CD1-CD2 4.21Å; Y728-L744 HydrophobicContact CD2-CD1 3.73Å; Y728-L744 HydrophobicContact CD2-CD2 4.27Å; Y728-L744 HydrophobicContact CD2-CG 4.47Å; Y728-L744 HydrophobicContact CE1-CD2 4.15Å; Y728-L744 HydrophobicContact CE2-CB 4.42Å; Y728-L744 HydrophobicContact CE2-CD1 4.24Å; Y728-L744 HydrophobicContact CE2-CD2 4.19Å; Y728-L744 HydrophobicContact CG-CD1 3.97Å; Y728-L744 HydrophobicContact CG-CD2 4.28Å
729	T	97.5	Very high	95.9	Very high	74 Å²	74	62.9 Å²	62.9	45%	0.454	35%	0.353	S	S	.	.			trans	-69.3	165.2	170.5	66.6	0	0	0	0	111.1	H731 E732 V733	T729-H731 VanDerWaalsContact C-N 3.31Å; T729-H731 PolarHBondContact O-N 3.49Å; T729-E732 PolarHBondContact N-OE2 3.45Å; T729-E732 PolarHBondContact O-N 3.18Å; T729-E732 VanDerWaalsContact OG1-CG 3.27Å; T729-E732 WeakPolarHBondContact OG1-CG 3.33Å; T729-E732 PolarHBondContact OG1-N 2.89Å; T729-E732 PolarHBondContact OG1-OE2 3.26Å; T729-V733 WeakPolarHBondContact O-CG2 3.3Å; T729-V733 PolarHBondContact O-N 3.46Å; T729-V733 VanDerWaalsContact O-N 3.11Å
730	F	98.3	Very high	95.7	Very high	7 Å²	7	61.2 Å²	61.2	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-62.6	-40.5	178.6	-175.3	-120.2	0	0	0	112.1	A710 Y711 Y714 E732 V733 I734 M840 L848	A710-F730 HydrophobicContact CB-CZ 4.13Å; Y711-F730 HydrophobicContact CD2-CB 4.14Å; Y711-F730 AromaticContact CD2-CD1 3.56Å; Y711-F730 HydrophobicContact CD2-CD1 3.56Å; Y711-F730 AromaticContact CD2-CD2 3.91Å; Y711-F730 HydrophobicContact CD2-CD2 3.91Å; Y711-F730 AromaticContact CD2-CE1 3.85Å; Y711-F730 HydrophobicContact CD2-CE1 3.85Å; Y711-F730 HydrophobicContact CD2-CE2 4.17Å; Y711-F730 AromaticContact CD2-CG 3.58Å; Y711-F730 HydrophobicContact CD2-CG 3.58Å; Y711-F730 HydrophobicContact CD2-CZ 4.13Å; Y711-F730 HydrophobicContact CE2-CB 4.09Å; Y711-F730 HydrophobicContact CE2-CD1 4.16Å; Y711-F730 HydrophobicContact CE2-CG 4.05Å; Y711-F730 HydrophobicContact CG-CD1 4.45Å; Y711-F730 HydrophobicContact CG-CE1 4.35Å; Y714-F730 HydrophobicContact CD1-CB 3.88Å; Y714-F730 AromaticContact CD1-CD2 3.7Å; Y714-F730 HydrophobicContact CD1-CD2 3.7Å; Y714-F730 HydrophobicContact CD1-CG 4.1Å; Y714-F730 HydrophobicContact CD2-CD2 4.07Å; Y714-F730 HydrophobicContact CE1-CB 3.72Å; Y714-F730 HydrophobicContact CE1-CD2 4.38Å; Y714-F730 HydrophobicContact CE1-CG 4.45Å; Y714-F730 HydrophobicContact CG-CB 4.35Å; Y714-F730 AromaticContact CG-CD2 3.51Å; Y714-F730 HydrophobicContact CG-CD2 3.51Å; Y714-F730 HydrophobicContact CG-CE2 4.26Å; Y714-F730 HydrophobicContact CG-CG 4.33Å; Y714-F730 PolarHBondContact OH-N 3.47Å; F730-E732 PolarHBondContact O-N 3.09Å; F730-V733 WeakPolarHBondContact O-CB 3.39Å; F730-V733 PolarHBondContact O-N 2.69Å; F730-V733 VanDerWaalsContact O-N 3.16Å; F730-I734 HydrophobicContact CD1-CD1 4.23Å; F730-I734 HydrophobicContact CD1-CG2 4.45Å; F730-I734 HydrophobicContact CD2-CG2 4.08Å; F730-I734 HydrophobicContact CE1-CD1 4.02Å; F730-I734 HydrophobicContact CE1-CG2 3.96Å; F730-I734 HydrophobicContact CE2-CG2 3.56Å; F730-I734 HydrophobicContact CZ-CG2 3.5Å; F730-I734 VanDerWaalsContact CZ-CG2 3.5Å; F730-I734 WeakPolarHBondContact O-CG1 3.45Å; F730-I734 PolarHBondContact O-N 2.67Å; F730-M840 HydrophobicContact CD1-CG 4.16Å; F730-M840 HydrophobicContact CD1-SD 4.04Å; F730-M840 HydrophobicContact CE1-CG 4.19Å; F730-M840 HydrophobicContact CE1-SD 3.45Å; F730-M840 WeakPolarHBondContact CE1-SD 3.28Å; F730-M840 HydrophobicContact CZ-SD 4.41Å; F730-L848 HydrophobicContact CE1-CD1 3.63Å; F730-L848 HydrophobicContact CZ-CD1 3.77Å
731	H	97.9	Very high	95.6	Very high	66 Å²	66	58.8 Å²	58.8	31%	0.306	33%	0.334	S	S	.	.	H	α-helix	trans	-60.9	-45.2	178.6	-160.7	78.8	0	0	0	111.9	T729 V733 I734 T735 D841 S844	T729-H731 VanDerWaalsContact C-N 3.31Å; T729-H731 PolarHBondContact O-N 3.49Å; H731-V733 VanDerWaalsContact C-N 3.29Å; H731-V733 PolarHBondContact O-N 3.29Å; H731-I734 VanDerWaalsContact O-CG1 3.31Å; H731-I734 WeakPolarHBondContact O-CG1 3.18Å; H731-I734 PolarHBondContact O-N 3.11Å; H731-T735 WeakPolarHBondContact O-CB 3.48Å; H731-T735 WeakPolarHBondContact O-CG2 3.23Å; H731-T735 PolarHBondContact O-N 3.12Å; H731-T735 PolarHBondContact O-OG1 3.47Å; H731-D841 IonicContact ND1-OD1 3.93Å; H731-S844 WeakPolarHBondContact CB-OG 3.47Å; H731-S844 PolarHBondContact ND1-OG 3.4Å
732	E	97.2	Very high	95.5	Very high	89 Å²	89	57.5 Å²	57.5	42%	0.416	33%	0.334	S	S	.	.	H	α-helix	trans	-62.7	-34.2	175.4	-70.6	168.1	146.1	0	0	112.6	Y728 T729 F730 A736	Y728-E732 WeakPolarHBondContact CA-OE2 3.31Å; Y728-E732 HydrophobicContact CD1-CB 4.48Å; T729-E732 PolarHBondContact N-OE2 3.45Å; T729-E732 PolarHBondContact O-N 3.18Å; T729-E732 VanDerWaalsContact OG1-CG 3.27Å; T729-E732 WeakPolarHBondContact OG1-CG 3.33Å; T729-E732 PolarHBondContact OG1-N 2.89Å; T729-E732 PolarHBondContact OG1-OE2 3.26Å; F730-E732 PolarHBondContact O-N 3.09Å; E732-A736 PolarHBondContact O-N 3Å
733	V	97.9	Very high	95.4	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-67.7	-50.1	176.2	171.8	0	0	0	0	110.9	Y714 T729 F730 H731 T735 A736 L744 L747 Q748	Y714-V733 HydrophobicContact CD2-CG2 4.22Å; Y714-V733 HydrophobicContact CE2-CG2 4.1Å; T729-V733 WeakPolarHBondContact O-CG2 3.3Å; T729-V733 PolarHBondContact O-N 3.46Å; T729-V733 VanDerWaalsContact O-N 3.11Å; F730-V733 WeakPolarHBondContact O-CB 3.39Å; F730-V733 PolarHBondContact O-N 2.69Å; F730-V733 VanDerWaalsContact O-N 3.16Å; H731-V733 VanDerWaalsContact C-N 3.29Å; H731-V733 PolarHBondContact O-N 3.29Å; V733-T735 PolarHBondContact O-N 3.45Å; V733-A736 WeakPolarHBondContact O-CB 3.46Å; V733-A736 PolarHBondContact O-N 3.5Å; V733-L744 HydrophobicContact CB-CD1 4.27Å; V733-L744 HydrophobicContact CG2-CD1 3.72Å; V733-L747 HydrophobicContact CG1-CD2 4.17Å; V733-L747 HydrophobicContact CG1-CG 3.95Å; V733-L747 HydrophobicContact CG2-CD2 3.91Å; V733-Q748 HydrophobicContact CG1-CB 4.31Å; V733-Q748 VanDerWaalsContact O-CB 3.22Å; V733-Q748 WeakPolarHBondContact O-CB 3.49Å; V733-Q748 WeakPolarHBondContact O-CG 3.43Å
734	I	97.9	Very high	95.3	Very high	2 Å²	2	59 Å²	59	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-73.4	-27.2	-174.8	64.1	-176.6	0	0	0	113	F730 H731 Q748 L752 F847 L848	F730-I734 HydrophobicContact CD1-CD1 4.23Å; F730-I734 HydrophobicContact CD1-CG2 4.45Å; F730-I734 HydrophobicContact CD2-CG2 4.08Å; F730-I734 HydrophobicContact CE1-CD1 4.02Å; F730-I734 HydrophobicContact CE1-CG2 3.96Å; F730-I734 HydrophobicContact CE2-CG2 3.56Å; F730-I734 HydrophobicContact CZ-CG2 3.5Å; F730-I734 VanDerWaalsContact CZ-CG2 3.5Å; F730-I734 WeakPolarHBondContact O-CG1 3.45Å; F730-I734 PolarHBondContact O-N 2.67Å; H731-I734 VanDerWaalsContact O-CG1 3.31Å; H731-I734 WeakPolarHBondContact O-CG1 3.18Å; H731-I734 PolarHBondContact O-N 3.11Å; I734-Q748 PolarHBondContact O-NE2 3.4Å; I734-L752 HydrophobicContact CB-CD2 4.41Å; I734-L752 HydrophobicContact CG2-CD2 4Å; I734-F847 HydrophobicContact CB-CE1 4.3Å; I734-F847 HydrophobicContact CD1-CD1 3.86Å; I734-F847 HydrophobicContact CD1-CE1 4.43Å; I734-F847 HydrophobicContact CG1-CD1 4.08Å; I734-F847 HydrophobicContact CG1-CE1 4.18Å; I734-L848 HydrophobicContact CB-CD2 4.22Å; I734-L848 HydrophobicContact CD1-CD1 3.97Å; I734-L848 HydrophobicContact CD1-CD2 4.17Å; I734-L848 HydrophobicContact CD1-CG 3.87Å; I734-L848 HydrophobicContact CG2-CD1 4.4Å; I734-L848 HydrophobicContact CG2-CD2 4.24Å
735	T	96.8	Very high	95.3	Very high	57 Å²	57	62.7 Å²	62.7	35%	0.35	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	4.9	178.2	61.2	0	0	0	0	113.7	H731 V733 G737 F847	H731-T735 WeakPolarHBondContact O-CB 3.48Å; H731-T735 WeakPolarHBondContact O-CG2 3.23Å; H731-T735 PolarHBondContact O-N 3.12Å; H731-T735 PolarHBondContact O-OG1 3.47Å; V733-T735 PolarHBondContact O-N 3.45Å; T735-G737 PolarHBondContact O-N 2.93Å; T735-G737 VanDerWaalsContact O-N 3.11Å; T735-F847 HydrophobicContact CG2-CD1 4.43Å; T735-F847 HydrophobicContact CG2-CD2 4.3Å; T735-F847 HydrophobicContact CG2-CE1 4.24Å; T735-F847 HydrophobicContact CG2-CE2 4.09Å; T735-F847 HydrophobicContact CG2-CG 4.47Å; T735-F847 HydrophobicContact CG2-CZ 4.06Å
736	A	94.8	Very high	95.2	Very high	13 Å²	13	65.1 Å²	65.1	11%	0.107	36%	0.361	C	S	.	.			trans	-52.5	118.9	-178.2	0	0	0	0	0	112	E732 V733 A740 L744 Q748	E732-A736 PolarHBondContact O-N 3Å; V733-A736 WeakPolarHBondContact O-CB 3.46Å; V733-A736 PolarHBondContact O-N 3.5Å; A736-A740 HydrophobicContact CB-CB 3.81Å; A736-L744 HydrophobicContact CB-CD2 4.06Å; A736-L744 HydrophobicContact CB-CG 3.84Å; A736-Q748 HydrophobicContact CB-CB 4.48Å; A736-Q748 PolarHBondContact O-NE2 3.17Å; A736-Q748 PolarHBondContact O-OE1 3.08Å
737	G	90.2	Very high	95.2	Very high	33 Å²	33	62 Å²	62	34%	0.34	34%	0.344	S	S	.	.			trans	-89.7	-164.9	-174.6	0	0	0	0	0	114.8	T735 D739 A740	T735-G737 PolarHBondContact O-N 2.93Å; T735-G737 VanDerWaalsContact O-N 3.11Å; G737-D739 VanDerWaalsContact C-N 3.28Å; G737-D739 PolarHBondContact O-N 3.48Å; G737-A740 WeakPolarHBondContact O-CB 3.26Å; G737-A740 PolarHBondContact O-N 3.06Å
738	S	85.7	Confident	95.3	Very high	112 Å²	112	56.3 Å²	56.3	78%	0.783	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-28.5	-179.7	-41.4	0	0	0	0	113.4	R745	S738-R745 PolarHBondContact O-NH1 3.03Å
739	D	88.9	Confident	95.2	Very high	154 Å²	154	57.8 Å²	57.8	82%	0.824	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.1	178.2	62.6	-34.5	0	0	0	113.3	G737	G737-D739 VanDerWaalsContact C-N 3.28Å; G737-D739 PolarHBondContact O-N 3.48Å
740	A	92.3	Very high	95.2	Very high	16 Å²	16	58.6 Å²	58.6	13%	0.132	33%	0.326	C	S	.	.	S	Bend	trans	-64.6	143.3	177.5	0	0	0	0	0	112.5	A736 G737 L744 R745	A736-A740 HydrophobicContact CB-CB 3.81Å; G737-A740 WeakPolarHBondContact O-CB 3.26Å; G737-A740 PolarHBondContact O-N 3.06Å; A740-L744 HydrophobicContact CB-CD2 4.04Å; A740-L744 HydrophobicContact CB-CG 4.43Å; A740-R745 HydrophobicContact CB-CG 4.01Å
741	S	94.3	Very high	95.2	Very high	55 Å²	55	58.2 Å²	58.2	39%	0.385	33%	0.325	S	S	.	.			trans	-54.3	149.6	175.8	75.2	0	0	0	0	112.7	K743 L744 R745	S741-K743 PolarHBondContact O-N 3.13Å; S741-L744 PolarHBondContact O-N 3.33Å; S741-L744 VanDerWaalsContact O-N 3.08Å; S741-L744 WeakPolarHBondContact OG-CB 3.27Å; S741-L744 PolarHBondContact OG-N 3.29Å; S741-R745 PolarHBondContact O-N 3.36Å
742	S	94.3	Very high	95.2	Very high	93 Å²	93	55.3 Å²	55.3	65%	0.65	31%	0.312	S	S	*	.	H	α-helix	trans	-56.3	-35.7	178.4	-170.4	0	0	0	0	113.2	A746	S742-A746 WeakPolarHBondContact O-CB 3.48Å; S742-A746 PolarHBondContact O-N 3.2Å
743	K	95.2	Very high	95.2	Very high	162 Å²	162	52.9 Å²	52.9	70%	0.704	30%	0.303	S	S	*	.	H	α-helix	trans	-70.5	-37.8	179	-63.6	-175.7	178.2	179.8	0	112	V724 S741 A746 L747	V724-K743 HydrophobicContact CG2-CB 3.8Å; S741-K743 PolarHBondContact O-N 3.13Å; K743-A746 PolarHBondContact O-N 2.9Å; K743-L747 PolarHBondContact O-N 3.17Å; K743-L747 VanDerWaalsContact O-N 3.09Å
744	L	96.7	Very high	95.3	Very high	11 Å²	11	53 Å²	53	6%	0.058	30%	0.303	C	S	.	.	H	α-helix	trans	-65.1	-46.8	174.5	-178.3	55.5	0	0	0	111.4	V724 Y728 V733 A736 A740 S741 A746 L747 Q748	V724-L744 HydrophobicContact CG1-CB 4.27Å; V724-L744 HydrophobicContact CG1-CD1 3.87Å; Y728-L744 HydrophobicContact CD1-CD2 4.21Å; Y728-L744 HydrophobicContact CD2-CD1 3.73Å; Y728-L744 HydrophobicContact CD2-CD2 4.27Å; Y728-L744 HydrophobicContact CD2-CG 4.47Å; Y728-L744 HydrophobicContact CE1-CD2 4.15Å; Y728-L744 HydrophobicContact CE2-CB 4.42Å; Y728-L744 HydrophobicContact CE2-CD1 4.24Å; Y728-L744 HydrophobicContact CE2-CD2 4.19Å; Y728-L744 HydrophobicContact CG-CD1 3.97Å; Y728-L744 HydrophobicContact CG-CD2 4.28Å; V733-L744 HydrophobicContact CB-CD1 4.27Å; V733-L744 HydrophobicContact CG2-CD1 3.72Å; A736-L744 HydrophobicContact CB-CD2 4.06Å; A736-L744 HydrophobicContact CB-CG 3.84Å; A740-L744 HydrophobicContact CB-CD2 4.04Å; A740-L744 HydrophobicContact CB-CG 4.43Å; S741-L744 PolarHBondContact O-N 3.33Å; S741-L744 VanDerWaalsContact O-N 3.08Å; S741-L744 WeakPolarHBondContact OG-CB 3.27Å; S741-L744 PolarHBondContact OG-N 3.29Å; L744-A746 VanDerWaalsContact C-N 3.3Å; L744-A746 PolarHBondContact O-N 3.43Å; L744-L747 PolarHBondContact O-N 2.85Å; L744-L747 VanDerWaalsContact O-N 3.16Å; L744-Q748 PolarHBondContact O-N 3.02Å
745	R	95.7	Very high	95.3	Very high	97 Å²	97	52.9 Å²	52.9	37%	0.366	30%	0.303	S	S	.	.	H	α-helix	trans	-62.5	-35.1	174.3	-69.1	-164.6	-66.4	-144.5	-3.9	113	S738 A740 S741 Q748 N749	S738-R745 PolarHBondContact O-NH1 3.03Å; A740-R745 HydrophobicContact CB-CG 4.01Å; S741-R745 PolarHBondContact O-N 3.36Å; R745-Q748 PolarHBondContact O-N 3.4Å; R745-N749 WeakPolarHBondContact O-CB 3.38Å; R745-N749 PolarHBondContact O-N 3.29Å; R745-N749 PolarHBondContact O-ND2 3.49Å
746	A	95.9	Very high	95.4	Very high	50 Å²	50	53.7 Å²	53.7	41%	0.413	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-44.6	173.7	0	0	0	0	0	111.5	S742 K743 L744 N749 R750	S742-A746 WeakPolarHBondContact O-CB 3.48Å; S742-A746 PolarHBondContact O-N 3.2Å; K743-A746 PolarHBondContact O-N 2.9Å; L744-A746 VanDerWaalsContact C-N 3.3Å; L744-A746 PolarHBondContact O-N 3.43Å; A746-N749 PolarHBondContact O-N 3.43Å; A746-R750 WeakPolarHBondContact O-CG 3.45Å; A746-R750 PolarHBondContact O-N 3.33Å
747	L	97.5	Very high	95.5	Very high	10 Å²	10	53.1 Å²	53.1	5%	0.052	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-45.3	175.8	-179.2	60.8	0	0	0	111.9	Q717 V724 A725 V733 K743 L744 N749 R750 C751	Q717-L747 HydrophobicContact CB-CD1 4.28Å; Q717-L747 HydrophobicContact CG-CD1 3.83Å; V724-L747 HydrophobicContact CB-CD2 4.09Å; V724-L747 HydrophobicContact CG1-CB 4.22Å; V724-L747 HydrophobicContact CG1-CD2 3.75Å; A725-L747 HydrophobicContact CB-CD2 3.76Å; V733-L747 HydrophobicContact CG1-CD2 4.17Å; V733-L747 HydrophobicContact CG1-CG 3.95Å; V733-L747 HydrophobicContact CG2-CD2 3.91Å; K743-L747 PolarHBondContact O-N 3.17Å; K743-L747 VanDerWaalsContact O-N 3.09Å; L744-L747 PolarHBondContact O-N 2.85Å; L744-L747 VanDerWaalsContact O-N 3.16Å; L747-N749 VanDerWaalsContact C-N 3.35Å; L747-N749 PolarHBondContact O-N 3.06Å; L747-R750 PolarHBondContact O-N 2.75Å; L747-C751 PolarHBondContact O-N 2.88Å
748	Q	98	Very high	95.9	Very high	29 Å²	29	52 Å²	52	14%	0.136	28%	0.282	C	S	.	.	H	α-helix	trans	-52.9	-52	173.1	-179.1	-170.2	39.4	0	0	110.9	V733 I734 A736 L744 R745 R750 C751 L752	V733-Q748 HydrophobicContact CG1-CB 4.31Å; V733-Q748 VanDerWaalsContact O-CB 3.22Å; V733-Q748 WeakPolarHBondContact O-CB 3.49Å; V733-Q748 WeakPolarHBondContact O-CG 3.43Å; I734-Q748 PolarHBondContact O-NE2 3.4Å; A736-Q748 HydrophobicContact CB-CB 4.48Å; A736-Q748 PolarHBondContact O-NE2 3.17Å; A736-Q748 PolarHBondContact O-OE1 3.08Å; L744-Q748 PolarHBondContact O-N 3.02Å; R745-Q748 PolarHBondContact O-N 3.4Å; Q748-R750 VanDerWaalsContact C-N 3.33Å; Q748-R750 PolarHBondContact O-N 3.43Å; Q748-C751 WeakPolarHBondContact O-CA 3.33Å; Q748-C751 WeakPolarHBondContact O-CB 3.31Å; Q748-C751 PolarHBondContact O-N 3.2Å; Q748-C751 VanDerWaalsContact O-N 3.09Å; Q748-L752 HydrophobicContact CG-CD1 3.73Å; Q748-L752 HydrophobicContact CG-CG 4.23Å; Q748-L752 WeakPolarHBondContact O-CG 3.37Å; Q748-L752 PolarHBondContact O-N 3.47Å
749	N	96.6	Very high	96.5	Very high	84 Å²	84	49.5 Å²	49.5	45%	0.449	26%	0.262	S	S	.	.	H	α-helix	trans	-58.8	-42.6	179	-79.6	-43.2	0	0	0	111.9	R745 A746 L747 C751 L752 V753 P754	R745-N749 WeakPolarHBondContact O-CB 3.38Å; R745-N749 PolarHBondContact O-N 3.29Å; R745-N749 PolarHBondContact O-ND2 3.49Å; A746-N749 PolarHBondContact O-N 3.43Å; L747-N749 VanDerWaalsContact C-N 3.35Å; L747-N749 PolarHBondContact O-N 3.06Å; N749-C751 VanDerWaalsContact C-N 3.31Å; N749-C751 PolarHBondContact O-N 3.23Å; N749-L752 PolarHBondContact O-N 3.36Å; N749-V753 HydrophobicContact CB-CG2 4.25Å; N749-V753 VanDerWaalsContact O-CB 3.28Å; N749-V753 WeakPolarHBondContact O-CB 3.24Å; N749-V753 WeakPolarHBondContact O-CG2 3.38Å; N749-V753 PolarHBondContact O-N 3.11Å; N749-P754 WeakPolarHBondContact O-CD 3.45Å
750	R	97	Very high	96.9	Very high	90 Å²	90	42.2 Å²	42.2	34%	0.34	22%	0.223	S	C	.	.	H	α-helix	trans	-67.9	-28.8	177	-65.7	-63.8	-62.7	153.8	2.9	113.1	Q613 D682 R709 A746 L747 Q748 P754	Q613-R750 VanDerWaalsContact OE1-NH2 3.1Å; D682-R750 IonicContact OD2-CZ 3.11Å; D682-R750 IonicContact OD2-NH1 3.64Å; D682-R750 PolarHBondContact OD2-NH1 2.84Å; D682-R750 IonicContact OD2-NH2 3.44Å; R709-R750 PolarHBondContact NH1-O 3.37Å; A746-R750 WeakPolarHBondContact O-CG 3.45Å; A746-R750 PolarHBondContact O-N 3.33Å; L747-R750 PolarHBondContact O-N 2.75Å; Q748-R750 VanDerWaalsContact C-N 3.33Å; Q748-R750 PolarHBondContact O-N 3.43Å; R750-P754 WeakPolarHBondContact O-CD 3.48Å; R750-P754 WeakPolarHBondContact O-CG 2.88Å
751	C	97.9	Very high	97.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-70.2	-50.3	170.1	-83	0	0	0	0	111.8	R709 A710 L747 Q748 N749	R709-C751 PolarHBondContact NH1-O 2.91Å; A710-C751 HydrophobicContact CB-CB 4.2Å; A710-C751 VanDerWaalsContact CB-O 3.26Å; A710-C751 WeakPolarHBondContact CB-O 3.47Å; A710-C751 PolarHBondContact O-SG 3.39Å; L747-C751 PolarHBondContact O-N 2.88Å; Q748-C751 WeakPolarHBondContact O-CA 3.33Å; Q748-C751 WeakPolarHBondContact O-CB 3.31Å; Q748-C751 PolarHBondContact O-N 3.2Å; Q748-C751 VanDerWaalsContact O-N 3.09Å; N749-C751 VanDerWaalsContact C-N 3.31Å; N749-C751 PolarHBondContact O-N 3.23Å
752	L	98.4	Very high	97.4	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-90.7	-50.3	-165.8	-58.9	-174.6	0	0	0	114	A710 I734 Q748 N749 G755 L848 Y851 Y852	A710-L752 HydrophobicContact CB-CD2 4.31Å; I734-L752 HydrophobicContact CB-CD2 4.41Å; I734-L752 HydrophobicContact CG2-CD2 4Å; Q748-L752 HydrophobicContact CG-CD1 3.73Å; Q748-L752 HydrophobicContact CG-CG 4.23Å; Q748-L752 WeakPolarHBondContact O-CG 3.37Å; Q748-L752 PolarHBondContact O-N 3.47Å; N749-L752 PolarHBondContact O-N 3.36Å; L752-G755 WeakPolarHBondContact O-CA 3.48Å; L752-G755 PolarHBondContact O-N 3.2Å; L752-L848 HydrophobicContact CD2-CD2 3.52Å; L752-Y851 HydrophobicContact CB-CE1 4.15Å; L752-Y851 HydrophobicContact CD1-CE1 4.25Å; L752-Y851 HydrophobicContact CD1-CE2 4.45Å; L752-Y852 VanDerWaalsContact CA-OH 3.25Å; L752-Y852 WeakPolarHBondContact CA-OH 3.31Å; L752-Y852 PolarHBondContact O-OH 2.86Å
753	V	98.1	Very high	97.5	Very high	38 Å²	38	43 Å²	43	23%	0.23	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-58.7	-44.5	-170.1	174.8	0	0	0	0	112.8	N749 G755 W756 H760	N749-V753 HydrophobicContact CB-CG2 4.25Å; N749-V753 VanDerWaalsContact O-CB 3.28Å; N749-V753 WeakPolarHBondContact O-CB 3.24Å; N749-V753 WeakPolarHBondContact O-CG2 3.38Å; N749-V753 PolarHBondContact O-N 3.11Å; V753-G755 PolarHBondContact O-N 3.06Å; V753-W756 HydrophobicContact CG1-CD2 4.35Å; V753-W756 HydrophobicContact CG1-CE3 3.9Å; V753-W756 HydrophobicContact CG1-CZ3 4.08Å; V753-W756 HydrophobicContact CG2-CH2 4.1Å; V753-W756 HydrophobicContact CG2-CZ2 4.24Å; V753-W756 HydrophobicContact CG2-CZ3 4.29Å; V753-W756 VanDerWaalsContact O-CB 3.3Å; V753-W756 WeakPolarHBondContact O-CB 3.48Å; V753-W756 PolarHBondContact O-N 3Å; V753-H760 PolarHBondContact O-NE2 3.29Å
754	P	98.3	Very high	97.7	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.013	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-66.6	-7.2	178.2	-17.4	30.6	0	0	0	114.3	D682 N749 R750 W756 Y757	D682-P754 HydrophobicContact CB-CB 4.16Å; D682-P754 HydrophobicContact CB-CG 4.44Å; N749-P754 WeakPolarHBondContact O-CD 3.45Å; R750-P754 WeakPolarHBondContact O-CD 3.48Å; R750-P754 WeakPolarHBondContact O-CG 2.88Å; P754-W756 VanDerWaalsContact C-N 3.32Å; P754-Y757 WeakPolarHBondContact O-CD1 3.26Å; P754-Y757 WeakPolarHBondContact O-CE1 3.49Å
755	G	98.3	Very high	97.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-78.7	-9.2	169.4	0	0	0	0	0	114.1	L752 V753 Y757	L752-G755 WeakPolarHBondContact O-CA 3.48Å; L752-G755 PolarHBondContact O-N 3.2Å; V753-G755 PolarHBondContact O-N 3.06Å; G755-Y757 PolarHBondContact O-N 3.5Å
756	W	98.4	Very high	97.7	Very high	73 Å²	73	37.5 Å²	37.5	28%	0.277	20%	0.198	S	C	.	.			trans	-76.9	61.8	176	-60.8	-15.1	0	0	0	111.5	V753 P754 A758 T759 H760 Y851 Y852 H855	V753-W756 HydrophobicContact CG1-CD2 4.35Å; V753-W756 HydrophobicContact CG1-CE3 3.9Å; V753-W756 HydrophobicContact CG1-CZ3 4.08Å; V753-W756 HydrophobicContact CG2-CH2 4.1Å; V753-W756 HydrophobicContact CG2-CZ2 4.24Å; V753-W756 HydrophobicContact CG2-CZ3 4.29Å; V753-W756 VanDerWaalsContact O-CB 3.3Å; V753-W756 WeakPolarHBondContact O-CB 3.48Å; V753-W756 PolarHBondContact O-N 3Å; P754-W756 VanDerWaalsContact C-N 3.32Å; W756-A758 VanDerWaalsContact C-N 3.31Å; W756-A758 PolarHBondContact O-N 3.09Å; W756-T759 WeakPolarHBondContact O-CB 3.18Å; W756-T759 PolarHBondContact O-N 3.17Å; W756-T759 VanDerWaalsContact O-N 3.12Å; W756-H760 PolarHBondContact O-CD2 2.96Å; W756-H760 PolarHBondContact O-N 3.42Å; W756-Y851 VanDerWaalsContact CZ2-OH 3.28Å; W756-Y851 WeakPolarHBondContact CZ2-OH 2.9Å; W756-Y851 AromaticContact NE1-CE1 3.72Å; W756-Y851 AromaticContact NE1-CZ 3.75Å; W756-Y851 PolarHBondContact NE1-OH 3.09Å; W756-Y851 VanDerWaalsContact NE1-OH 3.17Å; W756-Y852 AromaticContact CD1-CE1 3.85Å; W756-H855 AromaticContact CD1-CD2 3.73Å; W756-H855 AromaticContact CD1-CE1 3.39Å; W756-H855 AromaticContact CD1-CG 3.88Å; W756-H855 AromaticContact CD1-ND1 3.67Å; W756-H855 AromaticContact CD1-NE2 3.41Å; W756-H855 AromaticContact CD2-CE1 3.8Å; W756-H855 AromaticContact CE2-CE1 3.82Å; W756-H855 AromaticContact CE2-NE2 3.77Å; W756-H855 AromaticContact CG-CE1 3.56Å; W756-H855 AromaticContact CG-ND1 3.83Å; W756-H855 AromaticContact NE1-CD2 3.83Å; W756-H855 AromaticContact NE1-CE1 3.53Å; W756-H855 AromaticContact NE1-NE2 3.21Å; W756-H855 PolarHBondContact NE1-NE2 2.92Å
757	Y	98.8	Very high	97.8	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-57.1	-40.8	-166.3	-58.5	-34.7	0	0	0	113.5	P612 F681 L703 I704 P706 P754 G755 T759 H760 I761 L859 W873	P612-Y757 HydrophobicContact CG-CD1 4.33Å; P612-Y757 HydrophobicContact CG-CE1 3.84Å; F681-Y757 AromaticContact CE1-CD1 3.88Å; F681-Y757 HydrophobicContact CE1-CD1 3.88Å; F681-Y757 AromaticContact CZ-CD1 3.95Å; F681-Y757 HydrophobicContact CZ-CD1 3.95Å; L703-Y757 HydrophobicContact CB-CD2 4.35Å; L703-Y757 HydrophobicContact CB-CE2 4.22Å; L703-Y757 HydrophobicContact CD1-CD2 4.03Å; L703-Y757 HydrophobicContact CD1-CG 4.21Å; L703-Y757 HydrophobicContact CD2-CD1 3.86Å; L703-Y757 HydrophobicContact CD2-CD2 4.08Å; L703-Y757 HydrophobicContact CD2-CE1 4.15Å; L703-Y757 HydrophobicContact CD2-CE2 4.35Å; L703-Y757 HydrophobicContact CD2-CG 3.82Å; L703-Y757 HydrophobicContact CG-CD2 4.39Å; I704-Y757 WeakPolarHBondContact O-CE2 3.3Å; I704-Y757 PolarHBondContact O-OH 3.08Å; P706-Y757 HydrophobicContact CB-CE2 3.98Å; P706-Y757 HydrophobicContact CG-CE2 4.46Å; P754-Y757 WeakPolarHBondContact O-CD1 3.26Å; P754-Y757 WeakPolarHBondContact O-CE1 3.49Å; G755-Y757 PolarHBondContact O-N 3.5Å; Y757-T759 PolarHBondContact O-N 3.43Å; Y757-H760 PolarHBondContact O-N 2.94Å; Y757-I761 WeakPolarHBondContact O-CB 3.5Å; Y757-I761 WeakPolarHBondContact O-CD1 3.45Å; Y757-I761 WeakPolarHBondContact O-CG1 3.08Å; Y757-I761 PolarHBondContact O-N 2.89Å; Y757-L859 HydrophobicContact CD2-CD2 3.78Å; Y757-L859 HydrophobicContact CG-CD2 4.38Å; Y757-W873 HydrophobicContact CD2-CH2 4.06Å; Y757-W873 HydrophobicContact CD2-CZ2 4.13Å; Y757-W873 AromaticContact CE2-CH2 3.86Å; Y757-W873 HydrophobicContact CE2-CH2 3.86Å; Y757-W873 AromaticContact CE2-CZ2 3.82Å; Y757-W873 HydrophobicContact CE2-CZ2 3.82Å
758	A	98.2	Very high	97.8	Very high	8 Å²	8	36.5 Å²	36.5	7%	0.066	19%	0.191	C	C	.	.	H	α-helix	trans	-58.6	-49.2	178.3	0	0	0	0	0	111.8	W756 H760 I761 E762 E858 L859 L862	W756-A758 VanDerWaalsContact C-N 3.31Å; W756-A758 PolarHBondContact O-N 3.09Å; A758-H760 VanDerWaalsContact C-N 3.3Å; A758-H760 PolarHBondContact O-N 3.19Å; A758-I761 PolarHBondContact O-N 3.23Å; A758-E762 WeakPolarHBondContact O-CG 3.39Å; A758-E762 PolarHBondContact O-N 2.92Å; A758-E858 HydrophobicContact CB-CB 4.19Å; A758-L859 HydrophobicContact CB-CB 4.17Å; A758-L862 HydrophobicContact CB-CD2 4.2Å; A758-L862 WeakPolarHBondContact O-CD2 3.26Å
759	T	97.1	Very high	97.8	Very high	61 Å²	61	40.8 Å²	40.8	37%	0.374	21%	0.211	S	C	.	.	H	α-helix	trans	-57.1	-43.2	179.6	-56.4	0	0	0	0	112.3	W756 Y757	W756-T759 WeakPolarHBondContact O-CB 3.18Å; W756-T759 PolarHBondContact O-N 3.17Å; W756-T759 VanDerWaalsContact O-N 3.12Å; Y757-T759 PolarHBondContact O-N 3.43Å
760	H	98.5	Very high	97.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-72.7	-41.9	179.4	-62.4	-53.5	0	0	0	112	F681 V753 W756 Y757 A758 E762 R763 W764	F681-H760 HydrophobicContact CD1-CB 3.81Å; F681-H760 HydrophobicContact CE1-CB 3.39Å; F681-H760 AromaticContact CE1-CD2 3.55Å; F681-H760 AromaticContact CE1-CG 3.7Å; F681-H760 HydrophobicContact CE2-CB 4.17Å; F681-H760 HydrophobicContact CG-CB 4.4Å; F681-H760 HydrophobicContact CZ-CB 3.59Å; V753-H760 PolarHBondContact O-NE2 3.29Å; W756-H760 PolarHBondContact O-CD2 2.96Å; W756-H760 PolarHBondContact O-N 3.42Å; Y757-H760 PolarHBondContact O-N 2.94Å; A758-H760 VanDerWaalsContact C-N 3.3Å; A758-H760 PolarHBondContact O-N 3.19Å; H760-E762 VanDerWaalsContact C-N 3.33Å; H760-E762 PolarHBondContact O-N 3.33Å; H760-R763 PolarHBondContact CE1-NH2 2.66Å; H760-R763 PolarHBondContact ND1-NH1 3.36Å; H760-R763 PolarHBondContact ND1-NH2 3Å; H760-R763 WeakPolarHBondContact O-CB 3.24Å; H760-R763 PolarHBondContact O-N 3.5Å; H760-W764 PolarHBondContact O-N 2.9Å
761	I	98.7	Very high	97.8	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-38.4	178.3	-69.4	167.5	0	0	0	111	F681 L703 Y757 A758 R763 W764 L765 V775 L859 L862 L863 M866	F681-I761 HydrophobicContact CE2-CD1 4.46Å; F681-I761 HydrophobicContact CE2-CG1 3.78Å; F681-I761 HydrophobicContact CZ-CG1 4.07Å; L703-I761 HydrophobicContact CD1-CD1 4.15Å; Y757-I761 WeakPolarHBondContact O-CB 3.5Å; Y757-I761 WeakPolarHBondContact O-CD1 3.45Å; Y757-I761 WeakPolarHBondContact O-CG1 3.08Å; Y757-I761 PolarHBondContact O-N 2.89Å; A758-I761 PolarHBondContact O-N 3.23Å; I761-R763 VanDerWaalsContact C-N 3.28Å; I761-R763 PolarHBondContact O-N 2.97Å; I761-W764 PolarHBondContact O-N 3.39Å; I761-W764 VanDerWaalsContact O-N 3.13Å; I761-L765 WeakPolarHBondContact O-CB 3.45Å; I761-L765 PolarHBondContact O-N 3.45Å; I761-V775 HydrophobicContact CD1-CG2 4.46Å; I761-L859 HydrophobicContact CD1-CD1 3.79Å; I761-L862 HydrophobicContact CB-CD2 3.9Å; I761-L862 HydrophobicContact CG2-CD2 3.73Å; I761-L862 HydrophobicContact CG2-CG 4.42Å; I761-L863 HydrophobicContact CD1-CD2 4.42Å; I761-M866 HydrophobicContact CG2-CE 3.92Å; I761-M866 HydrophobicContact CG2-SD 3.52Å; I761-M866 VanDerWaalsContact CG2-SD 3.52Å
762	E	97.2	Very high	97.8	Very high	116 Å²	116	40.2 Å²	40.2	54%	0.542	22%	0.216	S	C	.	.	H	α-helix	trans	-60.2	-37.5	175.8	-74.7	-152.1	163.1	0	0	112.7	A758 H760 W764 L765 S766 L862	A758-E762 WeakPolarHBondContact O-CG 3.39Å; A758-E762 PolarHBondContact O-N 2.92Å; H760-E762 VanDerWaalsContact C-N 3.33Å; H760-E762 PolarHBondContact O-N 3.33Å; E762-W764 VanDerWaalsContact C-N 3.35Å; E762-W764 PolarHBondContact O-N 2.75Å; E762-L765 PolarHBondContact O-N 3.14Å; E762-S766 PolarHBondContact O-N 2.7Å; E762-L862 HydrophobicContact CG-CD1 4.04Å; E762-L862 HydrophobicContact CG-CD2 3.71Å
763	R	97.3	Very high	97.8	Very high	60 Å²	60	40.1 Å²	40.1	23%	0.226	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-43.5	174.2	-70.2	-171.9	-112	138.1	-26.7	111.7	D682 S683 P687 H760 I761 S766	D682-R763 PolarHBondContact O-NH1 2.92Å; S683-R763 PolarHBondContact O-NH1 3.04Å; S683-R763 VanDerWaalsContact O-NH1 3.07Å; P687-R763 HydrophobicContact CG-CB 4.25Å; H760-R763 PolarHBondContact CE1-NH2 2.66Å; H760-R763 PolarHBondContact ND1-NH1 3.36Å; H760-R763 PolarHBondContact ND1-NH2 3Å; H760-R763 WeakPolarHBondContact O-CB 3.24Å; H760-R763 PolarHBondContact O-N 3.5Å; I761-R763 VanDerWaalsContact C-N 3.28Å; I761-R763 PolarHBondContact O-N 2.97Å; R763-S766 PolarHBondContact O-N 3.05Å; R763-S766 PolarHBondContact O-OG 2.74Å
764	W	98.5	Very high	97.8	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-66.9	-38.1	175.5	-77.5	90.6	0	0	0	112.4	I610 Y680 F681 A686 P687 A690 V699 H760 I761 E762 S766 A767 Y768 I773	I610-W764 HydrophobicContact CB-CH2 4.43Å; I610-W764 HydrophobicContact CB-CZ2 4.12Å; I610-W764 HydrophobicContact CD1-CD2 3.61Å; I610-W764 HydrophobicContact CD1-CE3 4.24Å; I610-W764 HydrophobicContact CD1-CG 3.8Å; I610-W764 HydrophobicContact CD1-CZ2 4.12Å; I610-W764 HydrophobicContact CG2-CE3 4.47Å; I610-W764 HydrophobicContact CG2-CH2 3.58Å; I610-W764 HydrophobicContact CG2-CZ2 3.78Å; I610-W764 HydrophobicContact CG2-CZ3 3.94Å; Y680-W764 WeakPolarHBondContact O-CZ2 3.34Å; Y680-W764 PolarHBondContact O-NE1 2.79Å; F681-W764 PolarHBondContact O-NE1 3.49Å; A686-W764 HydrophobicContact CB-CH2 4.45Å; A686-W764 HydrophobicContact CB-CZ2 4.08Å; P687-W764 HydrophobicContact CB-CD2 4.09Å; P687-W764 HydrophobicContact CB-CE3 4.26Å; P687-W764 HydrophobicContact CB-CG 4.43Å; P687-W764 HydrophobicContact CG-CD2 3.93Å; P687-W764 HydrophobicContact CG-CG 4.12Å; P687-W764 HydrophobicContact CG-CZ2 4.09Å; A690-W764 HydrophobicContact CB-CH2 4.16Å; A690-W764 HydrophobicContact CB-CZ3 4.17Å; V699-W764 HydrophobicContact CG1-CD2 4.36Å; V699-W764 HydrophobicContact CG1-CE3 3.83Å; V699-W764 HydrophobicContact CG1-CZ3 4.22Å; V699-W764 HydrophobicContact CG2-CE3 4.11Å; V699-W764 HydrophobicContact CG2-CZ3 4.13Å; H760-W764 PolarHBondContact O-N 2.9Å; I761-W764 PolarHBondContact O-N 3.39Å; I761-W764 VanDerWaalsContact O-N 3.13Å; E762-W764 VanDerWaalsContact C-N 3.35Å; E762-W764 PolarHBondContact O-N 2.75Å; W764-S766 PolarHBondContact O-N 2.87Å; W764-A767 PolarHBondContact O-N 2.77Å; W764-Y768 AromaticContact CE3-CD2 3.95Å; W764-Y768 HydrophobicContact CE3-CD2 3.95Å; W764-Y768 HydrophobicContact CE3-CE2 4.08Å; W764-Y768 HydrophobicContact CZ3-CD2 4.22Å; W764-Y768 AromaticContact CZ3-CE2 3.86Å; W764-Y768 HydrophobicContact CZ3-CE2 3.86Å; W764-Y768 PolarHBondContact O-N 2.93Å; W764-I773 HydrophobicContact CB-CD1 4.35Å
765	L	97	Very high	97.9	Very high	47 Å²	47	39.7 Å²	39.7	25%	0.246	21%	0.212	C	C	.	.	H	α-helix	trans	-66.8	-24.7	176.7	-170.1	65.4	0	0	0	112.8	I761 E762 A767 Y768 A770 I773 L862 M866	I761-L765 WeakPolarHBondContact O-CB 3.45Å; I761-L765 PolarHBondContact O-N 3.45Å; E762-L765 PolarHBondContact O-N 3.14Å; L765-A767 PolarHBondContact O-N 2.88Å; L765-Y768 CarbonylContact C-O 3.44Å; L765-Y768 VanDerWaalsContact O-O 3.07Å; L765-A770 HydrophobicContact CD1-CB 3.86Å; L765-I773 HydrophobicContact CB-CD1 4.48Å; L765-I773 HydrophobicContact CD1-CD1 4.21Å; L765-L862 HydrophobicContact CD2-CD1 4.05Å; L765-M866 HydrophobicContact CD1-CE 4.45Å; L765-M866 HydrophobicContact CD1-CG 4.35Å; L765-M866 HydrophobicContact CD2-CG 4.13Å; L765-M866 HydrophobicContact CD2-SD 4.39Å
766	S	95.4	Very high	97.9	Very high	105 Å²	105	39.9 Å²	39.9	73%	0.734	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.3	172.2	78.1	0	0	0	0	113.6	E762 R763 W764	E762-S766 PolarHBondContact O-N 2.7Å; R763-S766 PolarHBondContact O-N 3.05Å; R763-S766 PolarHBondContact O-OG 2.74Å; W764-S766 PolarHBondContact O-N 2.87Å
767	A	97.7	Very high	97.9	Very high	34 Å²	34	37.2 Å²	37.2	28%	0.281	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-28.8	-176.8	0	0	0	0	0	113.3	P687 A691 W764 L765	P687-A767 HydrophobicContact CB-CB 3.87Å; A691-A767 HydrophobicContact CB-CB 3.9Å; W764-A767 PolarHBondContact O-N 2.77Å; L765-A767 PolarHBondContact O-N 2.88Å
768	Y	98	Very high	97.8	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.02	21%	0.206	C	C	.	.	S	Bend	trans	-125.6	144.3	-179.9	-76.1	-89.5	0	0	0	111.2	A690 A691 L694 A697 V699 W764 L765 Q772	A690-Y768 HydrophobicContact CB-CE2 4.29Å; A690-Y768 PolarHBondContact O-OH 3.33Å; A691-Y768 WeakPolarHBondContact CA-OH 2.7Å; A691-Y768 HydrophobicContact CB-CD2 4.3Å; A691-Y768 HydrophobicContact CB-CE2 3.8Å; A691-Y768 PolarHBondContact N-OH 2.84Å; L694-Y768 WeakPolarHBondContact O-CE1 3.35Å; L694-Y768 PolarHBondContact O-OH 2.97Å; A697-Y768 HydrophobicContact CB-CE1 4.37Å; A697-Y768 WeakPolarHBondContact O-CE1 3.37Å; V699-Y768 HydrophobicContact CG2-CD1 3.97Å; V699-Y768 HydrophobicContact CG2-CD2 3.85Å; V699-Y768 HydrophobicContact CG2-CE1 4.07Å; V699-Y768 HydrophobicContact CG2-CE2 3.93Å; V699-Y768 HydrophobicContact CG2-CG 3.86Å; W764-Y768 AromaticContact CE3-CD2 3.95Å; W764-Y768 HydrophobicContact CE3-CD2 3.95Å; W764-Y768 HydrophobicContact CE3-CE2 4.08Å; W764-Y768 HydrophobicContact CZ3-CD2 4.22Å; W764-Y768 AromaticContact CZ3-CE2 3.86Å; W764-Y768 HydrophobicContact CZ3-CE2 3.86Å; W764-Y768 PolarHBondContact O-N 2.93Å; L765-Y768 CarbonylContact C-O 3.44Å; L765-Y768 VanDerWaalsContact O-O 3.07Å; Y768-Q772 HydrophobicContact CD1-CB 4.29Å
769	H	97.5	Very high	97.7	Very high	120 Å²	120	39.8 Å²	39.8	56%	0.556	22%	0.215	S	C	*	.			trans	-66.7	148.8	174.6	-173.4	-91	0	0	0	111.2	N771 Q772	H769-N771 PolarHBondContact ND1-N 3.48Å; H769-N771 PolarHBondContact ND1-OD1 2.81Å; H769-N771 PolarHBondContact O-N 2.82Å; H769-N771 VanDerWaalsContact O-N 3.11Å; H769-Q772 WeakPolarHBondContact O-CB 3.36Å; H769-Q772 PolarHBondContact O-N 2.91Å
770	A	96.8	Very high	97.7	Very high	23 Å²	23	38.3 Å²	38.3	19%	0.19	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-54.8	-35.5	-176.1	0	0	0	0	0	113.6	L765 Q772 I773	L765-A770 HydrophobicContact CD1-CB 3.86Å; A770-Q772 PolarHBondContact O-N 3.07Å; A770-I773 PolarHBondContact O-N 3.44Å; A770-I773 VanDerWaalsContact O-N 3.1Å
771	N	96.9	Very high	97.6	Very high	102 Å²	102	38.7 Å²	38.7	55%	0.545	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-72.6	-9.5	177.6	74.3	-8.7	0	0	0	114.6	K698 H769	K698-N771 PolarHBondContact NZ-O 2.79Å; H769-N771 PolarHBondContact ND1-N 3.48Å; H769-N771 PolarHBondContact ND1-OD1 2.81Å; H769-N771 PolarHBondContact O-N 2.82Å; H769-N771 VanDerWaalsContact O-N 3.11Å
772	Q	98.4	Very high	97.4	Very high	36 Å²	36	45.3 Å²	45.3	17%	0.168	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-93	-4.8	170.9	-70.3	175.7	-94.5	0	0	111.6	P695 A697 K698 V699 Y768 H769 A770 F795	P695-Q772 PolarHBondContact O-NE2 2.88Å; A697-Q772 PolarHBondContact O-NE2 3.36Å; K698-Q772 CarbonylContact C-O 3.54Å; V699-Q772 PolarHBondContact N-O 3.09Å; Y768-Q772 HydrophobicContact CD1-CB 4.29Å; H769-Q772 WeakPolarHBondContact O-CB 3.36Å; H769-Q772 PolarHBondContact O-N 2.91Å; A770-Q772 PolarHBondContact O-N 3.07Å; Q772-F795 WeakPolarHBondContact O-CZ 3.41Å
773	I	98.8	Very high	97.4	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.2	-179	-58	171.4	0	0	0	109.8	V699 W764 L765 A770 V775 M866 Q868	V699-I773 HydrophobicContact CB-CG1 4.13Å; V699-I773 HydrophobicContact CG1-CG1 4.47Å; V699-I773 CarbonylContact O-C 3.6Å; V699-I773 VanDerWaalsContact O-CA 3.28Å; V699-I773 WeakPolarHBondContact O-CA 3.42Å; W764-I773 HydrophobicContact CB-CD1 4.35Å; L765-I773 HydrophobicContact CB-CD1 4.48Å; L765-I773 HydrophobicContact CD1-CD1 4.21Å; A770-I773 PolarHBondContact O-N 3.44Å; A770-I773 VanDerWaalsContact O-N 3.1Å; I773-V775 HydrophobicContact CG2-CG2 4.38Å; I773-M866 HydrophobicContact CB-CE 4.02Å; I773-M866 HydrophobicContact CD1-CE 4.28Å; I773-M866 HydrophobicContact CG2-CE 3.78Å; I773-Q868 PolarHBondContact O-NE2 2.92Å
774	L	98.8	Very high	97.3	Very high	22 Å²	22	43.3 Å²	43.3	12%	0.115	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.3	170.1	-178	66.1	0	0	0	110.4	V699 L700 T701 L776 V792 F795	V699-L774 PolarHBondContact O-N 3.21Å; L700-L774 WeakPolarHBondContact CA-O 3.25Å; L700-L774 HydrophobicContact CD1-CD2 4.26Å; L700-L774 HydrophobicContact CG-CB 4.46Å; L700-L774 HydrophobicContact CG-CD2 4.46Å; T701-L774 PolarHBondContact N-O 3.1Å; L774-L776 HydrophobicContact CD1-CD2 4.4Å; L774-L776 HydrophobicContact CD2-CD2 3.59Å; L774-L776 HydrophobicContact CD2-CG 4.26Å; L774-L776 HydrophobicContact CG-CD2 3.8Å; L774-L776 HydrophobicContact CG-CG 4.34Å; L774-V792 HydrophobicContact CD2-CG2 4.09Å; L774-F795 HydrophobicContact CB-CD1 3.8Å; L774-F795 HydrophobicContact CB-CD2 3.97Å; L774-F795 HydrophobicContact CB-CE1 3.64Å; L774-F795 HydrophobicContact CB-CE2 3.85Å; L774-F795 HydrophobicContact CB-CG 3.93Å; L774-F795 HydrophobicContact CB-CZ 3.65Å; L774-F795 HydrophobicContact CD1-CG 4.49Å; L774-F795 HydrophobicContact CD2-CB 3.8Å; L774-F795 HydrophobicContact CD2-CD1 3.72Å; L774-F795 HydrophobicContact CD2-CE1 4.37Å; L774-F795 HydrophobicContact CD2-CG 3.77Å; L774-F795 HydrophobicContact CG-CD1 4.36Å; L774-F795 HydrophobicContact CG-CG 4.28Å
775	V	98.7	Very high	97.3	Very high	10 Å²	10	43.3 Å²	43.3	6%	0.061	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.4	175.3	-176.3	0	0	0	0	109.3	T701 L703 I761 I773 L863 M866 Q868	T701-V775 HydrophobicContact CG2-CB 4.19Å; T701-V775 HydrophobicContact CG2-CG1 4.17Å; T701-V775 HydrophobicContact CG2-CG2 3.75Å; L703-V775 HydrophobicContact CD1-CG1 3.56Å; L703-V775 HydrophobicContact CG-CG1 3.85Å; I761-V775 HydrophobicContact CD1-CG2 4.46Å; I773-V775 HydrophobicContact CG2-CG2 4.38Å; V775-L863 HydrophobicContact CB-CD2 4.01Å; V775-L863 HydrophobicContact CG1-CD1 4.48Å; V775-L863 HydrophobicContact CG1-CD2 3.91Å; V775-L863 HydrophobicContact CG2-CD2 3.68Å; V775-M866 HydrophobicContact CG2-CE 4.46Å; V775-Q868 HydrophobicContact CB-CG 4.45Å; V775-Q868 HydrophobicContact CG2-CG 4.18Å
776	L	98.5	Very high	97.3	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	145.2	-179.9	-64.1	-173.8	0	0	0	112.6	L620 L700 T701 I702 L703 L774 G778 V788 V792	L620-L776 HydrophobicContact CD1-CD1 4.23Å; L620-L776 HydrophobicContact CD2-CD1 3.88Å; L700-L776 HydrophobicContact CD1-CD1 4.09Å; L700-L776 HydrophobicContact CD2-CD1 3.65Å; L700-L776 HydrophobicContact CD2-CG 4.03Å; L700-L776 HydrophobicContact CG-CD1 4.12Å; L700-L776 HydrophobicContact CG-CG 4.3Å; T701-L776 PolarHBondContact O-N 2.99Å; I702-L776 HydrophobicContact CB-CB 4.48Å; I702-L776 HydrophobicContact CG1-CB 4.33Å; I702-L776 HydrophobicContact CG1-CD1 4.33Å; I702-L776 HydrophobicContact CG2-CB 4.28Å; L703-L776 PolarHBondContact N-O 3.45Å; L774-L776 HydrophobicContact CD1-CD2 4.4Å; L774-L776 HydrophobicContact CD2-CD2 3.59Å; L774-L776 HydrophobicContact CD2-CG 4.26Å; L774-L776 HydrophobicContact CG-CD2 3.8Å; L774-L776 HydrophobicContact CG-CG 4.34Å; L776-G778 PolarHBondContact O-N 2.81Å; L776-V788 HydrophobicContact CB-CG1 4.48Å; L776-V788 HydrophobicContact CD1-CG1 3.62Å; L776-V788 HydrophobicContact CD2-CG1 3.95Å; L776-V788 HydrophobicContact CG-CG1 4.25Å; L776-V792 HydrophobicContact CD1-CG2 3.67Å; L776-V792 HydrophobicContact CD2-CG2 4.04Å; L776-V792 HydrophobicContact CG-CG2 4.43Å
777	D	98.4	Very high	97.4	Very high	17 Å²	17	40.6 Å²	40.6	9%	0.091	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	108.6	167.9	-175.8	-8.5	0	0	0	110.4	K779 L780 L781 P871 T872	D777-K779 VanDerWaalsContact C-N 3.31Å; D777-K779 PolarHBondContact O-N 3.24Å; D777-K779 WeakPolarHBondContact OD1-CA 3.43Å; D777-K779 VanDerWaalsContact OD1-CB 3.28Å; D777-K779 WeakPolarHBondContact OD1-CB 3.39Å; D777-K779 PolarHBondContact OD1-N 3.44Å; D777-L780 HydrophobicContact CB-CB 3.87Å; D777-L780 PolarHBondContact O-N 3.3Å; D777-L780 PolarHBondContact OD1-N 3.4Å; D777-L781 PolarHBondContact O-N 3.24Å; D777-P871 HydrophobicContact CB-CB 4.01Å; D777-T872 VanDerWaalsContact OD2-CB 3.3Å; D777-T872 WeakPolarHBondContact OD2-CB 3.39Å; D777-T872 WeakPolarHBondContact OD2-CG2 3.29Å; D777-T872 PolarHBondContact OD2-N 3.06Å; D777-T872 PolarHBondContact OD2-OG1 2.95Å
778	G	97.6	Very high	97.4	Very high	4 Å²	4	39 Å²	39	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-70.7	-23	178.3	0	0	0	0	0	113.9	L703 L776 R782	L703-G778 PolarHBondContact O-N 2.78Å; L776-G778 PolarHBondContact O-N 2.81Å; G778-R782 WeakPolarHBondContact O-CB 3.08Å; G778-R782 PolarHBondContact O-N 3.31Å; G778-R782 VanDerWaalsContact O-N 3.13Å
779	K	95.7	Very high	97.4	Very high	60 Å²	60	38.8 Å²	38.8	26%	0.261	19%	0.189	S	C	.	.	H	α-helix	trans	-66.9	-46	171.2	-173.9	176.7	179.2	-175	0	108.9	D777 R782 T783 W873 E876	D777-K779 VanDerWaalsContact C-N 3.31Å; D777-K779 PolarHBondContact O-N 3.24Å; D777-K779 WeakPolarHBondContact OD1-CA 3.43Å; D777-K779 VanDerWaalsContact OD1-CB 3.28Å; D777-K779 WeakPolarHBondContact OD1-CB 3.39Å; D777-K779 PolarHBondContact OD1-N 3.44Å; K779-R782 WeakPolarHBondContact O-CB 3.2Å; K779-R782 PolarHBondContact O-N 3.31Å; K779-T783 WeakPolarHBondContact O-CG2 3.39Å; K779-T783 PolarHBondContact O-N 2.67Å; K779-T783 PolarHBondContact O-OG1 3Å; K779-T783 VanDerWaalsContact O-OG1 3.08Å; K779-W873 HydrophobicContact CD-CB 4.22Å; K779-E876 IonicContact NZ-OE1 2.77Å; K779-E876 PolarHBondContact NZ-OE1 3.41Å; K779-E876 IonicContact NZ-OE2 3.55Å; K779-E876 PolarHBondContact NZ-OE2 2.94Å
780	L	97	Very high	97.4	Very high	30 Å²	30	36 Å²	36	16%	0.157	18%	0.179	C	C	.	.	H	α-helix	trans	-65.2	-39.9	175.9	-167.5	66.3	0	0	0	112.2	D777 R782 T783 E784 V788 M791	D777-L780 HydrophobicContact CB-CB 3.87Å; D777-L780 PolarHBondContact O-N 3.3Å; D777-L780 PolarHBondContact OD1-N 3.4Å; L780-R782 PolarHBondContact O-N 3.1Å; L780-T783 PolarHBondContact O-N 2.93Å; L780-E784 HydrophobicContact CD1-CB 3.96Å; L780-E784 HydrophobicContact CD1-CG 4.42Å; L780-E784 CarbonylContact O-C 3.36Å; L780-E784 WeakPolarHBondContact O-CA 3.37Å; L780-E784 PolarHBondContact O-N 3.32Å; L780-V788 HydrophobicContact CB-CG2 3.94Å; L780-V788 HydrophobicContact CD2-CG2 3.84Å; L780-V788 HydrophobicContact CG-CG2 3.74Å; L780-M791 HydrophobicContact CD2-CE 4.17Å
781	L	97.4	Very high	97.4	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-58.9	-36.4	174.5	177.7	63.1	0	0	0	111.7	L620 F623 I702 D777 P785 V788	L620-L781 HydrophobicContact CB-CD2 4.14Å; F623-L781 HydrophobicContact CD2-CD1 4.38Å; I702-L781 HydrophobicContact CD1-CD2 4.07Å; I702-L781 HydrophobicContact CG2-CD2 4.19Å; D777-L781 PolarHBondContact O-N 3.24Å; L781-P785 HydrophobicContact CD1-CB 4.21Å; L781-P785 WeakPolarHBondContact O-CA 3.41Å; L781-P785 WeakPolarHBondContact O-CB 3.47Å; L781-V788 HydrophobicContact CB-CG1 4.4Å; L781-V788 HydrophobicContact CB-CG2 4.23Å; L781-V788 HydrophobicContact CD1-CB 4.27Å; L781-V788 HydrophobicContact CD1-CG1 4.05Å
782	R	94.7	Very high	97.4	Very high	143 Å²	143	34.5 Å²	34.5	54%	0.54	17%	0.166	S	C	.	.	H	α-helix	trans	-73.9	-39.9	178.1	-174.3	-174.6	68.6	176.8	2.7	112.4	G778 K779 L780 F816	G778-R782 WeakPolarHBondContact O-CB 3.08Å; G778-R782 PolarHBondContact O-N 3.31Å; G778-R782 VanDerWaalsContact O-N 3.13Å; K779-R782 WeakPolarHBondContact O-CB 3.2Å; K779-R782 PolarHBondContact O-N 3.31Å; L780-R782 PolarHBondContact O-N 3.1Å; R782-F816 HydrophobicContact CG-CD1 3.97Å; R782-F816 HydrophobicContact CG-CE1 3.83Å
783	T	95.6	Very high	97.4	Very high	64 Å²	64	33 Å²	33	39%	0.393	16%	0.158	S	C	.	.	H	α-helix	trans	-91.5	-38	-172.3	55.8	0	0	0	0	113.4	K779 L780 W817	K779-T783 WeakPolarHBondContact O-CG2 3.39Å; K779-T783 PolarHBondContact O-N 2.67Å; K779-T783 PolarHBondContact O-OG1 3Å; K779-T783 VanDerWaalsContact O-OG1 3.08Å; L780-T783 PolarHBondContact O-N 2.93Å; T783-W817 PolarHBondContact O-NE1 2.92Å
784	E	96.4	Very high	97.3	Very high	71 Å²	71	39.5 Å²	39.5	33%	0.332	19%	0.187	S	C	.	.			trans	-140.6	66.3	-177.3	-61.7	-164	-111.6	0	0	111	L780 A786 K787	L780-E784 HydrophobicContact CD1-CB 3.96Å; L780-E784 HydrophobicContact CD1-CG 4.42Å; L780-E784 CarbonylContact O-C 3.36Å; L780-E784 WeakPolarHBondContact O-CA 3.37Å; L780-E784 PolarHBondContact O-N 3.32Å; E784-A786 PolarHBondContact O-N 2.77Å; E784-K787 HydrophobicContact CB-CD 4.24Å; E784-K787 HydrophobicContact CB-CG 4.49Å; E784-K787 PolarHBondContact O-N 3.12Å; E784-K787 IonicContact OE1-NZ 2.96Å; E784-K787 PolarHBondContact OE1-NZ 3.07Å; E784-K787 VanDerWaalsContact OE2-CD 3.28Å; E784-K787 WeakPolarHBondContact OE2-CD 3.37Å; E784-K787 WeakPolarHBondContact OE2-CE 3.45Å; E784-K787 IonicContact OE2-NZ 3.77Å; E784-K787 PolarHBondContact OE2-NZ 3.05Å
785	P	97.4	Very high	97.2	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-57.4	-34.7	-174.3	21.3	-33.2	0	0	0	113.4	F623 L781 K787 V788 M789 L808 W817	F623-P785 HydrophobicContact CD2-CB 4.17Å; F623-P785 HydrophobicContact CE2-CB 3.78Å; F623-P785 HydrophobicContact CE2-CG 4.44Å; L781-P785 HydrophobicContact CD1-CB 4.21Å; L781-P785 WeakPolarHBondContact O-CA 3.41Å; L781-P785 WeakPolarHBondContact O-CB 3.47Å; P785-K787 VanDerWaalsContact C-N 3.32Å; P785-K787 PolarHBondContact O-N 3.17Å; P785-V788 WeakPolarHBondContact O-CB 3.29Å; P785-V788 PolarHBondContact O-N 3.27Å; P785-V788 VanDerWaalsContact O-N 3.1Å; P785-M789 WeakPolarHBondContact O-CG 3.37Å; P785-M789 PolarHBondContact O-N 2.82Å; P785-L808 HydrophobicContact CB-CD1 3.81Å; P785-L808 HydrophobicContact CG-CD1 3.72Å; P785-W817 VanDerWaalsContact CD-CD1 3.48Å; P785-W817 HydrophobicContact CG-CB 3.64Å; P785-W817 HydrophobicContact CG-CD2 3.72Å; P785-W817 HydrophobicContact CG-CE3 4.18Å; P785-W817 HydrophobicContact CG-CG 3.47Å; P785-W817 VanDerWaalsContact CG-CG 3.47Å
786	A	97.5	Very high	97.1	Very high	5 Å²	5	40.6 Å²	40.6	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-37.1	-178	0	0	0	0	0	113.3	E784 V788 M789 D790 H805	E784-A786 PolarHBondContact O-N 2.77Å; A786-V788 VanDerWaalsContact C-N 3.35Å; A786-V788 PolarHBondContact O-N 2.84Å; A786-M789 PolarHBondContact O-N 3.22Å; A786-D790 PolarHBondContact O-N 3.22Å; A786-H805 HydrophobicContact CB-CB 4.38Å
787	K	96.9	Very high	96.9	Very high	91 Å²	91	43.3 Å²	43.3	40%	0.396	22%	0.219	S	C	.	.	H	α-helix	trans	-63.5	-41.5	173.7	-74.1	-178	176.5	161.9	0	111.9	E784 P785 D790 M791	E784-K787 HydrophobicContact CB-CD 4.24Å; E784-K787 HydrophobicContact CB-CG 4.49Å; E784-K787 PolarHBondContact O-N 3.12Å; E784-K787 IonicContact OE1-NZ 2.96Å; E784-K787 PolarHBondContact OE1-NZ 3.07Å; E784-K787 VanDerWaalsContact OE2-CD 3.28Å; E784-K787 WeakPolarHBondContact OE2-CD 3.37Å; E784-K787 WeakPolarHBondContact OE2-CE 3.45Å; E784-K787 IonicContact OE2-NZ 3.77Å; E784-K787 PolarHBondContact OE2-NZ 3.05Å; P785-K787 VanDerWaalsContact C-N 3.32Å; P785-K787 PolarHBondContact O-N 3.17Å; K787-D790 PolarHBondContact O-N 3.05Å; K787-M791 WeakPolarHBondContact O-CG 3.33Å; K787-M791 PolarHBondContact O-N 3.31Å
788	V	97.7	Very high	96.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-66	-42.1	176.9	175.4	0	0	0	0	110.6	L776 L780 L781 P785 A786 D790 M791 V792	L776-V788 HydrophobicContact CB-CG1 4.48Å; L776-V788 HydrophobicContact CD1-CG1 3.62Å; L776-V788 HydrophobicContact CD2-CG1 3.95Å; L776-V788 HydrophobicContact CG-CG1 4.25Å; L780-V788 HydrophobicContact CB-CG2 3.94Å; L780-V788 HydrophobicContact CD2-CG2 3.84Å; L780-V788 HydrophobicContact CG-CG2 3.74Å; L781-V788 HydrophobicContact CB-CG1 4.4Å; L781-V788 HydrophobicContact CB-CG2 4.23Å; L781-V788 HydrophobicContact CD1-CB 4.27Å; L781-V788 HydrophobicContact CD1-CG1 4.05Å; P785-V788 WeakPolarHBondContact O-CB 3.29Å; P785-V788 PolarHBondContact O-N 3.27Å; P785-V788 VanDerWaalsContact O-N 3.1Å; A786-V788 VanDerWaalsContact C-N 3.35Å; A786-V788 PolarHBondContact O-N 2.84Å; V788-D790 VanDerWaalsContact C-N 3.32Å; V788-D790 PolarHBondContact O-N 2.92Å; V788-M791 WeakPolarHBondContact O-CB 3.34Å; V788-M791 PolarHBondContact O-N 3.45Å; V788-M791 VanDerWaalsContact O-N 3.14Å; V788-V792 HydrophobicContact CG1-CG2 4.46Å; V788-V792 WeakPolarHBondContact O-CG2 3.49Å; V788-V792 PolarHBondContact O-N 2.96Å
789	M	98.1	Very high	96	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-35.1	177.5	-66.8	-55.4	-64.6	0	0	112.7	L620 F623 L624 P785 A786 V792 Q793 Y804	L620-M789 HydrophobicContact CD1-SD 3.67Å; F623-M789 HydrophobicContact CB-CE 3.89Å; F623-M789 HydrophobicContact CB-CG 4.34Å; F623-M789 HydrophobicContact CB-SD 3.76Å; L624-M789 HydrophobicContact CB-CE 4.4Å; L624-M789 HydrophobicContact CD2-CE 3.57Å; L624-M789 HydrophobicContact CG-CE 3.78Å; P785-M789 WeakPolarHBondContact O-CG 3.37Å; P785-M789 PolarHBondContact O-N 2.82Å; A786-M789 PolarHBondContact O-N 3.22Å; M789-V792 PolarHBondContact O-N 3.41Å; M789-Q793 VanDerWaalsContact O-CG 3.27Å; M789-Q793 WeakPolarHBondContact O-CG 3.48Å; M789-Q793 PolarHBondContact O-N 2.94Å; M789-Q793 PolarHBondContact O-NE2 2.91Å; M789-Y804 HydrophobicContact CB-CD1 4.32Å; M789-Y804 HydrophobicContact CB-CD2 3.45Å; M789-Y804 VanDerWaalsContact CB-CD2 3.45Å; M789-Y804 HydrophobicContact CB-CE2 3.85Å; M789-Y804 HydrophobicContact CB-CG 3.72Å; M789-Y804 HydrophobicContact CE-CD1 4.48Å; M789-Y804 HydrophobicContact CE-CD2 4.49Å; M789-Y804 HydrophobicContact CE-CE1 3.82Å; M789-Y804 HydrophobicContact CE-CE2 3.85Å; M789-Y804 VanDerWaalsContact CE-CZ 3.46Å; M789-Y804 HydrophobicContact CG-CD1 4.05Å; M789-Y804 HydrophobicContact CG-CD2 4.1Å; M789-Y804 HydrophobicContact CG-CE1 4.31Å; M789-Y804 HydrophobicContact CG-CE2 4.37Å; M789-Y804 HydrophobicContact CG-CG 3.93Å
790	D	97.2	Very high	95.7	Very high	62 Å²	62	51.1 Å²	51.1	33%	0.332	27%	0.268	S	S	.	.	H	α-helix	trans	-61.4	-43.2	171.1	-178.4	62	0	0	0	112.2	A786 K787 V788 V792 Q793 K794	A786-D790 PolarHBondContact O-N 3.22Å; K787-D790 PolarHBondContact O-N 3.05Å; V788-D790 VanDerWaalsContact C-N 3.32Å; V788-D790 PolarHBondContact O-N 2.92Å; D790-V792 VanDerWaalsContact C-N 3.33Å; D790-V792 PolarHBondContact O-N 2.89Å; D790-Q793 PolarHBondContact O-N 3.01Å; D790-K794 WeakPolarHBondContact O-CG 3.38Å; D790-K794 PolarHBondContact O-N 3.49Å; D790-K794 IonicContact OD1-NZ 2.72Å; D790-K794 VanDerWaalsContact OD2-CE 3.32Å; D790-K794 WeakPolarHBondContact OD2-CE 3.46Å; D790-K794 IonicContact OD2-NZ 3.19Å; D790-K794 PolarHBondContact OD2-NZ 3.22Å
791	M	97.2	Very high	95.5	Very high	93 Å²	93	54.2 Å²	54.2	46%	0.458	29%	0.288	S	S	.	.	H	α-helix	trans	-61.2	-42.4	174.6	-61.4	173.8	-171.5	0	0	111.9	L780 K787 V788 K794 F795	L780-M791 HydrophobicContact CD2-CE 4.17Å; K787-M791 WeakPolarHBondContact O-CG 3.33Å; K787-M791 PolarHBondContact O-N 3.31Å; V788-M791 WeakPolarHBondContact O-CB 3.34Å; V788-M791 PolarHBondContact O-N 3.45Å; V788-M791 VanDerWaalsContact O-N 3.14Å; M791-K794 PolarHBondContact O-N 3.07Å; M791-F795 WeakPolarHBondContact O-CB 3.3Å; M791-F795 PolarHBondContact O-N 3.47Å
792	V	98.1	Very high	95.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.1	-45.3	179.2	178.6	0	0	0	0	111	L620 L624 L700 L774 L776 V788 M789 D790 K794 F795 L796	L620-V792 HydrophobicContact CD1-CG2 4.28Å; L624-V792 HydrophobicContact CD1-CG1 4.25Å; L624-V792 HydrophobicContact CD2-CG1 3.61Å; L624-V792 HydrophobicContact CG-CG1 4.43Å; L700-V792 HydrophobicContact CD1-CG1 4Å; L700-V792 HydrophobicContact CD1-CG2 3.98Å; L774-V792 HydrophobicContact CD2-CG2 4.09Å; L776-V792 HydrophobicContact CD1-CG2 3.67Å; L776-V792 HydrophobicContact CD2-CG2 4.04Å; L776-V792 HydrophobicContact CG-CG2 4.43Å; V788-V792 HydrophobicContact CG1-CG2 4.46Å; V788-V792 WeakPolarHBondContact O-CG2 3.49Å; V788-V792 PolarHBondContact O-N 2.96Å; M789-V792 PolarHBondContact O-N 3.41Å; D790-V792 VanDerWaalsContact C-N 3.33Å; D790-V792 PolarHBondContact O-N 2.89Å; V792-K794 VanDerWaalsContact C-N 3.32Å; V792-K794 PolarHBondContact O-N 3.07Å; V792-F795 PolarHBondContact O-N 2.81Å; V792-L796 HydrophobicContact CG1-CD1 3.74Å; V792-L796 HydrophobicContact CG1-CG 4.17Å; V792-L796 WeakPolarHBondContact O-CB 3.38Å; V792-L796 VanDerWaalsContact O-CG 3.29Å; V792-L796 WeakPolarHBondContact O-CG 3.39Å; V792-L796 PolarHBondContact O-N 3.42Å
793	Q	97	Very high	95.4	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.014	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-43.6	177.1	-72	175.8	112.2	0	0	111.8	H627 M789 D790 L796 G797 V798 T801 I802	H627-Q793 PolarHBondContact CD2-OE1 3.24Å; H627-Q793 PolarHBondContact NE2-OE1 2.98Å; M789-Q793 VanDerWaalsContact O-CG 3.27Å; M789-Q793 WeakPolarHBondContact O-CG 3.48Å; M789-Q793 PolarHBondContact O-N 2.94Å; M789-Q793 PolarHBondContact O-NE2 2.91Å; D790-Q793 PolarHBondContact O-N 3.01Å; Q793-L796 PolarHBondContact O-N 2.83Å; Q793-G797 PolarHBondContact O-N 3.03Å; Q793-V798 PolarHBondContact O-N 2.86Å; Q793-T801 HydrophobicContact CB-CG2 4.42Å; Q793-I802 PolarHBondContact NE2-O 2.72Å; Q793-I802 PolarHBondContact OE1-O 3.28Å
794	K	96.6	Very high	95.4	Very high	141 Å²	141	49.4 Å²	49.4	61%	0.613	27%	0.27	S	S	*	.	H	α-helix	trans	-62.7	-43.4	175.5	-74.8	170.5	178.1	164.6	0	112.6	D790 M791 V792 L796 G797	D790-K794 WeakPolarHBondContact O-CG 3.38Å; D790-K794 PolarHBondContact O-N 3.49Å; D790-K794 IonicContact OD1-NZ 2.72Å; D790-K794 VanDerWaalsContact OD2-CE 3.32Å; D790-K794 WeakPolarHBondContact OD2-CE 3.46Å; D790-K794 IonicContact OD2-NZ 3.19Å; D790-K794 PolarHBondContact OD2-NZ 3.22Å; M791-K794 PolarHBondContact O-N 3.07Å; V792-K794 VanDerWaalsContact C-N 3.32Å; V792-K794 PolarHBondContact O-N 3.07Å; K794-L796 VanDerWaalsContact C-N 3.35Å; K794-G797 PolarHBondContact O-N 2.93Å
795	F	97.7	Very high	95.4	Very high	37 Å²	37	51 Å²	51	16%	0.162	28%	0.278	C	S	.	.	H	α-helix	trans	-65.8	-36.9	178.6	168.9	-108	0	0	0	113.1	K698 Q772 L774 M791 V792 G797	K698-F795 HydrophobicContact CB-CE1 3.7Å; K698-F795 HydrophobicContact CB-CZ 3.9Å; K698-F795 HydrophobicContact CD-CE1 4.09Å; K698-F795 HydrophobicContact CD-CE2 4.05Å; K698-F795 HydrophobicContact CD-CZ 3.66Å; K698-F795 HydrophobicContact CG-CE1 4.16Å; K698-F795 HydrophobicContact CG-CZ 4.2Å; Q772-F795 WeakPolarHBondContact O-CZ 3.41Å; L774-F795 HydrophobicContact CB-CD1 3.8Å; L774-F795 HydrophobicContact CB-CD2 3.97Å; L774-F795 HydrophobicContact CB-CE1 3.64Å; L774-F795 HydrophobicContact CB-CE2 3.85Å; L774-F795 HydrophobicContact CB-CG 3.93Å; L774-F795 HydrophobicContact CB-CZ 3.65Å; L774-F795 HydrophobicContact CD1-CG 4.49Å; L774-F795 HydrophobicContact CD2-CB 3.8Å; L774-F795 HydrophobicContact CD2-CD1 3.72Å; L774-F795 HydrophobicContact CD2-CE1 4.37Å; L774-F795 HydrophobicContact CD2-CG 3.77Å; L774-F795 HydrophobicContact CG-CD1 4.36Å; L774-F795 HydrophobicContact CG-CG 4.28Å; M791-F795 WeakPolarHBondContact O-CB 3.3Å; M791-F795 PolarHBondContact O-N 3.47Å; V792-F795 PolarHBondContact O-N 2.81Å; F795-G797 VanDerWaalsContact C-N 3.28Å
796	L	96.1	Very high	95.2	Very high	18 Å²	18	58.5 Å²	58.5	9%	0.094	31%	0.31	C	S	.	.	H	α-helix	trans	-76.1	-17.7	175.9	-65.1	175	0	0	0	112.8	L607 L624 L630 F672 K698 V792 Q793 K794 V798	L607-L796 HydrophobicContact CB-CD2 4.14Å; L607-L796 HydrophobicContact CD1-CD2 3.99Å; L607-L796 HydrophobicContact CD2-CD1 4.12Å; L607-L796 HydrophobicContact CD2-CD2 3.87Å; L607-L796 HydrophobicContact CG-CD2 4.22Å; L624-L796 HydrophobicContact CD2-CD1 4.25Å; L630-L796 HydrophobicContact CD1-CD1 4.04Å; L630-L796 HydrophobicContact CD2-CD1 4.38Å; F672-L796 HydrophobicContact CE1-CD2 3.98Å; F672-L796 HydrophobicContact CZ-CD2 3.62Å; F672-L796 HydrophobicContact CZ-CG 4.47Å; K698-L796 HydrophobicContact CB-CD2 4.34Å; K698-L796 HydrophobicContact CG-CD2 4.44Å; V792-L796 HydrophobicContact CG1-CD1 3.74Å; V792-L796 HydrophobicContact CG1-CG 4.17Å; V792-L796 WeakPolarHBondContact O-CB 3.38Å; V792-L796 VanDerWaalsContact O-CG 3.29Å; V792-L796 WeakPolarHBondContact O-CG 3.39Å; V792-L796 PolarHBondContact O-N 3.42Å; Q793-L796 PolarHBondContact O-N 2.83Å; K794-L796 VanDerWaalsContact C-N 3.35Å; L796-V798 HydrophobicContact CB-CG2 3.76Å; L796-V798 HydrophobicContact CD1-CG2 4.47Å
797	G	94.4	Very high	95	Very high	60 Å²	60	60.3 Å²	60.3	62%	0.619	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	34.4	-178.4	0	0	0	0	0	112.7	Q793 K794 F795	Q793-G797 PolarHBondContact O-N 3.03Å; K794-G797 PolarHBondContact O-N 2.93Å; F795-G797 VanDerWaalsContact C-N 3.28Å
798	V	90.3	Very high	95	Very high	23 Å²	23	56.2 Å²	56.2	14%	0.139	30%	0.303	C	S	.	.			trans	-69.8	133	-179.4	-172.4	0	0	0	0	110.2	H627 D629 L630 Q793 L796	H627-V798 WeakPolarHBondContact CE1-CG1 3.49Å; D629-V798 HydrophobicContact CB-CG1 4.31Å; L630-V798 HydrophobicContact CD2-CG2 4.09Å; Q793-V798 PolarHBondContact O-N 2.86Å; L796-V798 HydrophobicContact CB-CG2 3.76Å; L796-V798 HydrophobicContact CD1-CG2 4.47Å
799	T	87.6	Confident	94.9	Very high	129 Å²	129	57.3 Å²	57.3	79%	0.791	31%	0.312	S	S	*	.	S	Bend	trans	-69.1	-45.2	-177.5	-50.9	0	0	0	0	112.3
800	N	89.5	Confident	94.8	Very high	94 Å²	94	62.3 Å²	62.3	50%	0.503	33%	0.334	S	S	.	.	S	Bend	trans	-100.3	87.9	-174.2	-57.1	-48.1	0	0	0	110.8	H627 D629	H627-N800 PolarHBondContact CE1-O 3.47Å; H627-N800 PolarHBondContact NE2-O 3.21Å; D629-N800 PolarHBondContact OD2-ND2 2.76Å
801	T	92.6	Very high	94.6	Very high	94 Å²	94	60.8 Å²	60.8	58%	0.577	33%	0.326	S	S	*	.			trans	-71.7	137.2	-178.4	55.1	0	0	0	0	112.8	Q793	Q793-T801 HydrophobicContact CB-CG2 4.42Å
802	I	94	Very high	94.4	Very high	44 Å²	44	61.6 Å²	61.6	23%	0.226	34%	0.338	C	S	.	.			trans	-98.5	135.6	171.5	-72.4	178	0	0	0	110.4	H627 P628 Q793 Y804 T807	H627-I802 HydrophobicContact CB-CD1 4.4Å; P628-I802 HydrophobicContact CG-CD1 4.33Å; Q793-I802 PolarHBondContact NE2-O 2.72Å; Q793-I802 PolarHBondContact OE1-O 3.28Å; I802-Y804 HydrophobicContact CB-CD2 4.31Å; I802-Y804 HydrophobicContact CB-CE2 3.93Å; I802-Y804 HydrophobicContact CG2-CD2 3.95Å; I802-Y804 HydrophobicContact CG2-CE2 3.87Å; I802-Y804 HydrophobicContact CG2-CG 4.38Å; I802-Y804 WeakPolarHBondContact O-CD2 3.22Å; I802-Y804 PolarHBondContact O-N 3.19Å; I802-T807 HydrophobicContact CG2-CG2 4.21Å
803	D	95.5	Very high	94	Very high	68 Å²	68	70.5 Å²	70.5	36%	0.364	38%	0.377	S	S	.	.			trans	-83.5	96.7	168.9	-177.6	4.4	0	0	0	110.8	H805 K806	D803-H805 PolarHBondContact O-N 3.21Å; D803-H805 VanDerWaalsContact OD1-CB 3.25Å; D803-H805 WeakPolarHBondContact OD1-CB 3.25Å; D803-H805 IonicContact OD1-CD2 3.8Å; D803-H805 PolarHBondContact OD1-CD2 2.65Å; D803-H805 IonicContact OD1-CG 2.81Å; D803-H805 PolarHBondContact OD1-N 2.83Å; D803-K806 HydrophobicContact CB-CD 4.29Å; D803-K806 PolarHBondContact O-N 3.01Å; D803-K806 VanDerWaalsContact O-N 3.1Å; D803-K806 WeakPolarHBondContact OD2-CD 3.32Å; D803-K806 WeakPolarHBondContact OD2-CE 3.24Å; D803-K806 IonicContact OD2-NZ 3.71Å
804	Y	96.6	Very high	93.8	Very high	2 Å²	2	72.3 Å²	72.3	1%	0.008	39%	0.385	C	S	.	.	H	α-helix	trans	-68.3	-12.2	179.1	-76.6	-93.2	0	0	0	113.8	F623 M626 M789 I802 K806 T807 L808	F623-Y804 HydrophobicContact CB-CE1 4.34Å; F623-Y804 VanDerWaalsContact O-CE1 3.28Å; F623-Y804 WeakPolarHBondContact O-CE1 3.43Å; F623-Y804 PolarHBondContact O-OH 3.41Å; M626-Y804 HydrophobicContact CB-CE1 4.37Å; M626-Y804 HydrophobicContact CE-CE1 4.38Å; M789-Y804 HydrophobicContact CB-CD1 4.32Å; M789-Y804 HydrophobicContact CB-CD2 3.45Å; M789-Y804 VanDerWaalsContact CB-CD2 3.45Å; M789-Y804 HydrophobicContact CB-CE2 3.85Å; M789-Y804 HydrophobicContact CB-CG 3.72Å; M789-Y804 HydrophobicContact CE-CD1 4.48Å; M789-Y804 HydrophobicContact CE-CD2 4.49Å; M789-Y804 HydrophobicContact CE-CE1 3.82Å; M789-Y804 HydrophobicContact CE-CE2 3.85Å; M789-Y804 VanDerWaalsContact CE-CZ 3.46Å; M789-Y804 HydrophobicContact CG-CD1 4.05Å; M789-Y804 HydrophobicContact CG-CD2 4.1Å; M789-Y804 HydrophobicContact CG-CE1 4.31Å; M789-Y804 HydrophobicContact CG-CE2 4.37Å; M789-Y804 HydrophobicContact CG-CG 3.93Å; I802-Y804 HydrophobicContact CB-CD2 4.31Å; I802-Y804 HydrophobicContact CB-CE2 3.93Å; I802-Y804 HydrophobicContact CG2-CD2 3.95Å; I802-Y804 HydrophobicContact CG2-CE2 3.87Å; I802-Y804 HydrophobicContact CG2-CG 4.38Å; I802-Y804 WeakPolarHBondContact O-CD2 3.22Å; I802-Y804 PolarHBondContact O-N 3.19Å; Y804-K806 PolarHBondContact O-N 3.39Å; Y804-T807 WeakPolarHBondContact CA-OG1 3.47Å; Y804-T807 PolarHBondContact O-N 3.31Å; Y804-L808 HydrophobicContact CD1-CD1 4.09Å; Y804-L808 HydrophobicContact CD1-CG 4.17Å; Y804-L808 WeakPolarHBondContact O-CB 3.3Å; Y804-L808 PolarHBondContact O-N 2.84Å
805	H	94.8	Very high	93.6	Very high	106 Å²	106	67.4 Å²	67.4	49%	0.491	37%	0.374	S	S	.	.	H	α-helix	trans	-66.7	-23.6	171	-68.3	-83	0	0	0	112	A786 D803	A786-H805 HydrophobicContact CB-CB 4.38Å; D803-H805 PolarHBondContact O-N 3.21Å; D803-H805 VanDerWaalsContact OD1-CB 3.25Å; D803-H805 WeakPolarHBondContact OD1-CB 3.25Å; D803-H805 IonicContact OD1-CD2 3.8Å; D803-H805 PolarHBondContact OD1-CD2 2.65Å; D803-H805 IonicContact OD1-CG 2.81Å; D803-H805 PolarHBondContact OD1-N 2.83Å
806	K	94.1	Very high	93.4	Very high	158 Å²	158	68.9 Å²	68.9	69%	0.687	38%	0.381	S	S	*	.	H	α-helix	trans	-92.8	-17.3	178.8	-63.8	175.8	-176.9	168.9	0	113.4	D803 Y804	D803-K806 HydrophobicContact CB-CD 4.29Å; D803-K806 PolarHBondContact O-N 3.01Å; D803-K806 VanDerWaalsContact O-N 3.1Å; D803-K806 WeakPolarHBondContact OD2-CD 3.32Å; D803-K806 WeakPolarHBondContact OD2-CE 3.24Å; D803-K806 IonicContact OD2-NZ 3.71Å; Y804-K806 PolarHBondContact O-N 3.39Å
807	T	93.8	Very high	93.4	Very high	42 Å²	42	71.1 Å²	71.1	26%	0.258	39%	0.388	S	S	.	.	H	α-helix	trans	-112.8	-7.3	-174.2	66.9	0	0	0	0	113.5	I802 Y804 L820	I802-T807 HydrophobicContact CG2-CG2 4.21Å; Y804-T807 WeakPolarHBondContact CA-OG1 3.47Å; Y804-T807 PolarHBondContact O-N 3.31Å; T807-L820 WeakPolarHBondContact O-CB 3.47Å; T807-L820 PolarHBondContact O-N 3.42Å
808	L	96.1	Very high	93.5	Very high	5 Å²	5	68.3 Å²	68.3	3%	0.026	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145.9	172.8	-59.6	179.5	0	0	0	110.6	F623 M626 P785 Y804 W817 C818	F623-L808 HydrophobicContact CD1-CD1 4.42Å; F623-L808 HydrophobicContact CD1-CD2 3.7Å; F623-L808 HydrophobicContact CD2-CD1 4.24Å; F623-L808 HydrophobicContact CE1-CD1 4.43Å; F623-L808 HydrophobicContact CE1-CD2 3.64Å; F623-L808 HydrophobicContact CE2-CD1 4.26Å; F623-L808 HydrophobicContact CG-CD1 4.34Å; F623-L808 HydrophobicContact CG-CD2 4.37Å; F623-L808 HydrophobicContact CZ-CD1 4.35Å; F623-L808 HydrophobicContact CZ-CD2 4.25Å; M626-L808 HydrophobicContact CE-CD2 4.07Å; M626-L808 HydrophobicContact SD-CD2 4.07Å; P785-L808 HydrophobicContact CB-CD1 3.81Å; P785-L808 HydrophobicContact CG-CD1 3.72Å; Y804-L808 HydrophobicContact CD1-CD1 4.09Å; Y804-L808 HydrophobicContact CD1-CG 4.17Å; Y804-L808 WeakPolarHBondContact O-CB 3.3Å; Y804-L808 PolarHBondContact O-N 2.84Å; L808-W817 HydrophobicContact CB-CE3 3.83Å; L808-W817 HydrophobicContact CB-CZ3 4.3Å; L808-C818 WeakPolarHBondContact CA-O 3.48Å
809	A	95.8	Very high	93.7	Very high	24 Å²	24	69.9 Å²	69.9	20%	0.198	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.5	172.9	0	0	0	0	0	110.7	W817 C818 L820 T826	A809-W817 VanDerWaalsContact C-CE3 3.48Å; A809-W817 WeakPolarHBondContact O-CA 3.22Å; A809-C818 PolarHBondContact N-O 3.12Å; A809-C818 PolarHBondContact O-N 2.82Å; A809-L820 HydrophobicContact CB-CB 4.3Å; A809-L820 HydrophobicContact CB-CD1 4.03Å; A809-T826 HydrophobicContact CB-CG2 4.3Å
810	F	95.5	Very high	94	Very high	106 Å²	106	66.9 Å²	66.9	47%	0.465	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	123.7	173.5	-175.1	-99.2	0	0	0	110.1	P812 W817	F810-P812 HydrophobicContact CD1-CG 4.43Å; F810-P812 WeakPolarHBondContact O-CD 3.31Å; F810-W817 HydrophobicContact CB-CD2 4.13Å; F810-W817 HydrophobicContact CB-CE3 4.46Å; F810-W817 HydrophobicContact CB-CZ2 4.39Å; F810-W817 AromaticContact CD2-CD1 3.83Å; F810-W817 HydrophobicContact CD2-CG 4.25Å; F810-W817 AromaticContact CD2-NE1 3.89Å
811	D	93.9	Very high	94.1	Very high	29 Å²	29	65.9 Å²	65.9	16%	0.155	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	110.8	176.4	-175.8	-54.3	0	0	0	109.6	K813 K814 G815 F816 T826	D811-K813 VanDerWaalsContact C-N 3.27Å; D811-K813 PolarHBondContact O-N 2.87Å; D811-K813 WeakPolarHBondContact OD1-CA 3.43Å; D811-K813 WeakPolarHBondContact OD1-CB 3.2Å; D811-K813 PolarHBondContact OD1-N 2.86Å; D811-K814 HydrophobicContact CB-CB 3.93Å; D811-K814 PolarHBondContact O-N 2.98Å; D811-K814 PolarHBondContact OD1-N 2.95Å; D811-G815 PolarHBondContact O-N 3.04Å; D811-F816 PolarHBondContact N-O 2.92Å; D811-T826 HydrophobicContact CB-CG2 4.44Å; D811-T826 PolarHBondContact OD2-OG1 2.83Å
812	P	91.7	Very high	93.8	Very high	110 Å²	110	70.3 Å²	70.3	71%	0.714	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-30.1	-176.4	-23	34.3	0	0	0	113.7	F810	F810-P812 HydrophobicContact CD1-CG 4.43Å; F810-P812 WeakPolarHBondContact O-CD 3.31Å
813	K	91.1	Very high	93.3	Very high	187 Å²	187	72.1 Å²	72.1	81%	0.813	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-39.4	-179.5	-173.7	-179.3	-179	177.4	0	110.7	D811	D811-K813 VanDerWaalsContact C-N 3.27Å; D811-K813 PolarHBondContact O-N 2.87Å; D811-K813 WeakPolarHBondContact OD1-CA 3.43Å; D811-K813 WeakPolarHBondContact OD1-CB 3.2Å; D811-K813 PolarHBondContact OD1-N 2.86Å
814	K	91.5	Very high	92.7	Very high	42 Å²	42	71.6 Å²	71.6	18%	0.183	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-36.6	173.6	-175	65.7	-171.6	-169.8	0	111.5	D811 F816 C828 L829 G830 K833	D811-K814 HydrophobicContact CB-CB 3.93Å; D811-K814 PolarHBondContact O-N 2.98Å; D811-K814 PolarHBondContact OD1-N 2.95Å; K814-F816 VanDerWaalsContact C-N 3.34Å; K814-F816 HydrophobicContact CG-CB 4.08Å; K814-F816 HydrophobicContact CG-CD2 4.21Å; K814-F816 WeakPolarHBondContact O-CD2 3.5Å; K814-C828 HydrophobicContact CD-CB 4.26Å; K814-C828 HydrophobicContact CG-CB 4.11Å; K814-L829 WeakPolarHBondContact CE-O 3.32Å; K814-L829 PolarHBondContact NZ-O 3.3Å; K814-G830 PolarHBondContact NZ-O 2.94Å; K814-K833 WeakPolarHBondContact CE-O 3.45Å; K814-K833 PolarHBondContact NZ-O 3.07Å
815	G	92.4	Very high	92.4	Very high	37 Å²	37	78.8 Å²	78.8	38%	0.381	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	17.7	-172.3	0	0	0	0	0	113.5	D811	D811-G815 PolarHBondContact O-N 3.04Å
816	F	94.5	Very high	92.2	Very high	69 Å²	69	76.1 Å²	76.1	30%	0.303	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	161.2	-177.7	-68.1	-88.9	0	0	0	110.5	R782 D811 K814	R782-F816 HydrophobicContact CG-CD1 3.97Å; R782-F816 HydrophobicContact CG-CE1 3.83Å; D811-F816 PolarHBondContact N-O 2.92Å; K814-F816 VanDerWaalsContact C-N 3.34Å; K814-F816 HydrophobicContact CG-CB 4.08Å; K814-F816 HydrophobicContact CG-CD2 4.21Å; K814-F816 WeakPolarHBondContact O-CD2 3.5Å
817	W	95.9	Very high	92.2	Very high	64 Å²	64	75 Å²	75	24%	0.242	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	140.5	169.9	-71	84.6	0	0	0	111.8	T783 P785 L808 A809 F810	T783-W817 PolarHBondContact O-NE1 2.92Å; P785-W817 VanDerWaalsContact CD-CD1 3.48Å; P785-W817 HydrophobicContact CG-CB 3.64Å; P785-W817 HydrophobicContact CG-CD2 3.72Å; P785-W817 HydrophobicContact CG-CE3 4.18Å; P785-W817 HydrophobicContact CG-CG 3.47Å; P785-W817 VanDerWaalsContact CG-CG 3.47Å; L808-W817 HydrophobicContact CB-CE3 3.83Å; L808-W817 HydrophobicContact CB-CZ3 4.3Å; A809-W817 VanDerWaalsContact C-CE3 3.48Å; A809-W817 WeakPolarHBondContact O-CA 3.22Å; F810-W817 HydrophobicContact CB-CD2 4.13Å; F810-W817 HydrophobicContact CB-CE3 4.46Å; F810-W817 HydrophobicContact CB-CZ2 4.39Å; F810-W817 AromaticContact CD2-CD1 3.83Å; F810-W817 HydrophobicContact CD2-CG 4.25Å; F810-W817 AromaticContact CD2-NE1 3.89Å
818	C	95.8	Very high	92.2	Very high	2 Å²	2	75 Å²	75	1%	0.014	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	161.9	-176.7	-56.8	0	0	0	0	110.1	L808 A809 L820 T826 C828	L808-C818 WeakPolarHBondContact CA-O 3.48Å; A809-C818 PolarHBondContact N-O 3.12Å; A809-C818 PolarHBondContact O-N 2.82Å; C818-L820 PolarHBondContact O-N 2.98Å; C818-T826 HydrophobicContact CB-CG2 4.45Å; C818-C828 HydrophobicContact CB-CB 3.94Å; C818-C828 WeakPolarHBondContact CB-SG 3.3Å; C818-C828 WeakPolarHBondContact SG-CA 3.46Å; C818-C828 WeakPolarHBondContact SG-CB 3.29Å; C818-C828 CovalentContact SG-SG 2.03Å; C818-C828 PolarHBondContact SG-SG 3.27Å
819	Q	95	Very high	92	Very high	55 Å²	55	76.5 Å²	76.5	26%	0.257	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	130.1	172.4	174.6	178.8	19.9	0	0	109.6	M626 L821 T826 K827	M626-Q819 HydrophobicContact CE-CB 4.3Å; M626-Q819 HydrophobicContact CE-CG 3.74Å; M626-Q819 HydrophobicContact SD-CB 3.96Å; M626-Q819 HydrophobicContact SD-CG 3.85Å; Q819-L821 HydrophobicContact CG-CD2 4.18Å; Q819-T826 CarbonylContact O-C 3.46Å; Q819-T826 WeakPolarHBondContact O-CA 3.28Å; Q819-K827 HydrophobicContact CB-CB 4.24Å; Q819-K827 PolarHBondContact N-O 2.89Å; Q819-K827 VanDerWaalsContact N-O 3.08Å; Q819-K827 PolarHBondContact O-N 3.44Å
820	L	94.2	Very high	91.7	Very high	66 Å²	66	77.6 Å²	77.6	35%	0.346	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	129	172.3	-175.5	62.6	0	0	0	109.3	T807 A809 C818	T807-L820 WeakPolarHBondContact O-CB 3.47Å; T807-L820 PolarHBondContact O-N 3.42Å; A809-L820 HydrophobicContact CB-CB 4.3Å; A809-L820 HydrophobicContact CB-CD1 4.03Å; C818-L820 PolarHBondContact O-N 2.98Å
821	L	91.8	Very high	91.4	Very high	74 Å²	74	82.2 Å²	82.2	39%	0.387	45%	0.453	S	S	.	.			trans	-109.4	170.6	174.3	-57.9	-178.3	0	0	0	110.4	Q819 G824 K825 K827	Q819-L821 HydrophobicContact CG-CD2 4.18Å; L821-G824 PolarHBondContact O-N 3.28Å; L821-K825 HydrophobicContact CB-CB 4.27Å; L821-K825 WeakPolarHBondContact CB-O 3.46Å; L821-K825 PolarHBondContact N-O 3.23Å; L821-K827 HydrophobicContact CD1-CB 3.94Å; L821-K827 HydrophobicContact CD2-CB 4.32Å; L821-K827 HydrophobicContact CG-CB 4.1Å
822	E	86.8	Confident	91	Very high	186 Å²	186	83.5 Å²	83.5	87%	0.869	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-54.5	143	174.1	-65.6	-179.2	175.9	0	0	112.3	G824	E822-G824 VanDerWaalsContact C-N 3.3Å; E822-G824 PolarHBondContact O-N 2.89Å
823	G	81.8	Confident	90.9	Very high	83 Å²	83	81.5 Å²	81.5	86%	0.856	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	70.9	19.8	-179.1	0	0	0	0	0	114.8	K825	G823-K825 VanDerWaalsContact C-N 3.3Å; G823-K825 PolarHBondContact O-N 2.82Å
824	G	84.1	Confident	90.7	Very high	57 Å²	57	74.1 Å²	74.1	59%	0.588	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	78.5	8.7	175.3	0	0	0	0	0	114.9	L821 E822	L821-G824 PolarHBondContact O-N 3.28Å; E822-G824 VanDerWaalsContact C-N 3.3Å; E822-G824 PolarHBondContact O-N 2.89Å
825	K	89.8	Confident	90.6	Very high	152 Å²	152	74.9 Å²	74.9	66%	0.661	42%	0.423	S	S	*	.			trans	-74.5	148.8	176.9	-68.1	177.9	-178.2	173.2	0	110.7	L821 G823	L821-K825 HydrophobicContact CB-CB 4.27Å; L821-K825 WeakPolarHBondContact CB-O 3.46Å; L821-K825 PolarHBondContact N-O 3.23Å; G823-K825 VanDerWaalsContact C-N 3.3Å; G823-K825 PolarHBondContact O-N 2.82Å
826	T	91.7	Very high	90.4	Very high	51 Å²	51	82 Å²	82	31%	0.313	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.6	178.8	50.8	0	0	0	0	111.3	A809 D811 C818 Q819	A809-T826 HydrophobicContact CB-CG2 4.3Å; D811-T826 HydrophobicContact CB-CG2 4.44Å; D811-T826 PolarHBondContact OD2-OG1 2.83Å; C818-T826 HydrophobicContact CB-CG2 4.45Å; Q819-T826 CarbonylContact O-C 3.46Å; Q819-T826 WeakPolarHBondContact O-CA 3.28Å
827	K	93.4	Very high	90.3	Very high	135 Å²	135	83 Å²	83	59%	0.587	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	97.6	168.8	-175.4	179.1	177.3	-172.3	0	109.1	Q819 L821	Q819-K827 HydrophobicContact CB-CB 4.24Å; Q819-K827 PolarHBondContact N-O 2.89Å; Q819-K827 VanDerWaalsContact N-O 3.08Å; Q819-K827 PolarHBondContact O-N 3.44Å; L821-K827 HydrophobicContact CD1-CB 3.94Å; L821-K827 HydrophobicContact CD2-CB 4.32Å; L821-K827 HydrophobicContact CG-CB 4.1Å
828	C	93.8	Very high	90.2	Very high	42 Å²	42	84.6 Å²	84.6	28%	0.284	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-90.7	158.9	-177.7	-65.1	0	0	0	0	113	K814 C818	K814-C828 HydrophobicContact CD-CB 4.26Å; K814-C828 HydrophobicContact CG-CB 4.11Å; C818-C828 HydrophobicContact CB-CB 3.94Å; C818-C828 WeakPolarHBondContact CB-SG 3.3Å; C818-C828 WeakPolarHBondContact SG-CA 3.46Å; C818-C828 WeakPolarHBondContact SG-CB 3.29Å; C818-C828 CovalentContact SG-SG 2.03Å; C818-C828 PolarHBondContact SG-SG 3.27Å
829	L	92.4	Very high	90.2	Very high	36 Å²	36	93.4 Å²	93.4	19%	0.188	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-58.8	148.5	168.5	-70.4	167.9	0	0	0	111.8	T618 A619 L622 K814 K833	T618-L829 HydrophobicContact CG2-CD2 3.9Å; A619-L829 HydrophobicContact CB-CD1 3.74Å; L622-L829 HydrophobicContact CD1-CD2 3.25Å; L622-L829 HydrophobicContact CD1-CG 4.36Å; L622-L829 HydrophobicContact CG-CD2 4.12Å; K814-L829 WeakPolarHBondContact CE-O 3.32Å; K814-L829 PolarHBondContact NZ-O 3.3Å; L829-K833 HydrophobicContact CB-CB 3.82Å; L829-K833 HydrophobicContact CB-CG 4.2Å; L829-K833 HydrophobicContact CD1-CB 4.11Å; L829-K833 HydrophobicContact CD2-CG 4.5Å; L829-K833 HydrophobicContact CG-CB 4.49Å
830	G	88.7	Confident	90.3	Very high	47 Å²	47	91.3 Å²	91.3	49%	0.485	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-56.7	168.1	-179.5	0	0	0	0	0	114.8	K814 S832 K833	K814-G830 PolarHBondContact NZ-O 2.94Å; G830-S832 PolarHBondContact O-N 3.06Å; G830-S832 VanDerWaalsContact O-N 3.1Å; G830-K833 PolarHBondContact O-N 2.9Å
831	K	88.3	Confident	90.3	Very high	203 Å²	203	91.4 Å²	91.4	88%	0.883	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.9	-175.5	-169.1	178.9	178.7	-175.9	0	113.4	K833	K831-K833 PolarHBondContact O-N 3.05Å
832	S	86.3	Confident	90.5	Very high	56 Å²	56	94.4 Å²	94.4	39%	0.392	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-5.9	178	65.9	0	0	0	0	114.4	G830 R835	G830-S832 PolarHBondContact O-N 3.06Å; G830-S832 VanDerWaalsContact O-N 3.1Å; S832-R835 VanDerWaalsContact O-CZ 3.29Å; S832-R835 PolarHBondContact O-NH1 2.58Å
833	K	90.8	Very high	91	Very high	67 Å²	67	91.2 Å²	91.2	29%	0.291	50%	0.501	S	S	.	.	S	Bend	trans	-116.3	128.9	178.1	-47.6	-67.2	177	162.9	0	108.8	T618 E641 K814 L829 G830 K831	T618-K833 HydrophobicContact CG2-CD 4.42Å; T618-K833 PolarHBondContact OG1-NZ 2.81Å; E641-K833 IonicContact OE1-NZ 2.85Å; E641-K833 PolarHBondContact OE1-NZ 3.33Å; K814-K833 WeakPolarHBondContact CE-O 3.45Å; K814-K833 PolarHBondContact NZ-O 3.07Å; L829-K833 HydrophobicContact CB-CB 3.82Å; L829-K833 HydrophobicContact CB-CG 4.2Å; L829-K833 HydrophobicContact CD1-CB 4.11Å; L829-K833 HydrophobicContact CD2-CG 4.5Å; L829-K833 HydrophobicContact CG-CB 4.49Å; G830-K833 PolarHBondContact O-N 2.9Å; K831-K833 PolarHBondContact O-N 3.05Å
834	G	86.3	Confident	91.7	Very high	32 Å²	32	87.3 Å²	87.3	33%	0.33	46%	0.46	S	S	.	.	S	Bend	trans	69.8	48.4	-170.2	0	0	0	0	0	112.8
835	R	88.3	Confident	92.3	Very high	58 Å²	58	89 Å²	89	22%	0.219	45%	0.449	C	S	.	.			trans	-61.5	142.6	177.2	-71	-175.9	-179	76.4	-1.6	109.8	H720 S832 Y837	H720-R835 PolarHBondContact CE1-NH2 2.92Å; S832-R835 VanDerWaalsContact O-CZ 3.29Å; S832-R835 PolarHBondContact O-NH1 2.58Å; R835-Y837 HydrophobicContact CB-CD1 3.76Å; R835-Y837 HydrophobicContact CB-CE1 3.96Å; R835-Y837 WeakPolarHBondContact O-CD1 3.49Å
836	K	88.4	Confident	92.6	Very high	188 Å²	188	84.3 Å²	84.3	82%	0.817	44%	0.439	S	S	*	.			trans	-87.1	116.8	170.3	-60.9	-174.6	-179.3	-173.6	0	107.8
837	Y	92.4	Very high	92.9	Very high	90 Å²	90	85.7 Å²	85.7	35%	0.353	44%	0.44	S	S	.	.			trans	-142.6	160.1	175.6	44.4	-109.7	0	0	0	108.9	Y711 Q715 R835	Y711-Y837 HydrophobicContact CD1-CD2 4.38Å; Y711-Y837 AromaticContact CD1-CE2 3.92Å; Y711-Y837 HydrophobicContact CD1-CE2 3.92Å; Y711-Y837 AromaticContact CE1-CD2 3.68Å; Y711-Y837 HydrophobicContact CE1-CD2 3.68Å; Y711-Y837 AromaticContact CE1-CE2 3.67Å; Y711-Y837 HydrophobicContact CE1-CE2 3.67Å; Q715-Y837 HydrophobicContact CB-CD1 3.72Å; Q715-Y837 HydrophobicContact CB-CE1 3.88Å; Q715-Y837 HydrophobicContact CB-CG 4.1Å; Q715-Y837 HydrophobicContact CG-CD1 3.85Å; Q715-Y837 HydrophobicContact CG-CD2 3.87Å; Q715-Y837 HydrophobicContact CG-CE1 4.17Å; Q715-Y837 HydrophobicContact CG-CE2 4.19Å; Q715-Y837 HydrophobicContact CG-CG 3.69Å; R835-Y837 HydrophobicContact CB-CD1 3.76Å; R835-Y837 HydrophobicContact CB-CE1 3.96Å; R835-Y837 WeakPolarHBondContact O-CD1 3.49Å
838	P	94.3	Very high	93.1	Very high	96 Å²	96	79.3 Å²	79.3	62%	0.623	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-56.1	151	178.6	-24.2	34.5	0	0	0	112	Y711	Y711-P838 VanDerWaalsContact CE1-O 3.31Å; Y711-P838 WeakPolarHBondContact CE1-O 3.39Å; Y711-P838 PolarHBondContact OH-O 3.27Å
839	E	95.4	Very high	93.2	Very high	188 Å²	188	80.6 Å²	80.6	88%	0.879	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-60.9	149.4	171	-62.9	-167	151.3	0	0	110.7
840	M	96.9	Very high	93.4	Very high	11 Å²	11	84.6 Å²	84.6	5%	0.054	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-64.8	136.8	175	177.7	171.2	56.4	0	0	109.4	A707 Y711 F730 R845 L848	A707-M840 HydrophobicContact CB-CE 4.03Å; Y711-M840 HydrophobicContact CD1-CB 3.88Å; Y711-M840 HydrophobicContact CD2-CB 4.32Å; Y711-M840 HydrophobicContact CD2-CG 4.41Å; Y711-M840 HydrophobicContact CE1-CB 3.92Å; Y711-M840 HydrophobicContact CE2-CB 4.38Å; Y711-M840 HydrophobicContact CG-CB 4.08Å; Y711-M840 HydrophobicContact CG-CG 4.42Å; Y711-M840 HydrophobicContact CG-SD 4.3Å; F730-M840 HydrophobicContact CD1-CG 4.16Å; F730-M840 HydrophobicContact CD1-SD 4.04Å; F730-M840 HydrophobicContact CE1-CG 4.19Å; F730-M840 HydrophobicContact CE1-SD 3.45Å; F730-M840 WeakPolarHBondContact CE1-SD 3.28Å; F730-M840 HydrophobicContact CZ-SD 4.41Å; M840-R845 HydrophobicContact CE-CB 3.79Å; M840-R845 HydrophobicContact CE-CG 3.93Å; M840-R845 VanDerWaalsContact CE-CZ 3.41Å; M840-L848 HydrophobicContact SD-CD1 4.13Å
841	D	95.4	Very high	93.8	Very high	67 Å²	67	86 Å²	86	36%	0.358	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-60.8	149.9	176.9	65.6	99.3	0	0	0	111.6	H731 D843 S844 R845	H731-D841 IonicContact ND1-OD1 3.93Å; D841-D843 VanDerWaalsContact C-N 3.31Å; D841-D843 PolarHBondContact O-N 3.32Å; D841-S844 VanDerWaalsContact CG-CB 3.49Å; D841-S844 PolarHBondContact O-N 2.77Å; D841-S844 WeakPolarHBondContact OD1-CB 3.42Å; D841-S844 PolarHBondContact OD1-N 2.8Å; D841-S844 PolarHBondContact OD1-OG 3.35Å; D841-S844 WeakPolarHBondContact OD2-CB 3.12Å; D841-S844 PolarHBondContact OD2-OG 3.17Å; D841-R845 PolarHBondContact O-N 2.9Å
842	L	96.1	Very high	94.3	Very high	137 Å²	137	76.4 Å²	76.4	72%	0.717	38%	0.384	S	S	*	.	H	α-helix	trans	-66.1	-34.2	-173.1	-67.3	173.7	0	0	0	112.2	R845 A846	L842-R845 WeakPolarHBondContact O-CB 3.47Å; L842-R845 PolarHBondContact O-N 3.15Å; L842-A846 PolarHBondContact O-N 3.47Å
843	D	95.9	Very high	94.7	Very high	120 Å²	120	79.3 Å²	79.3	64%	0.642	39%	0.387	S	S	*	.	H	α-helix	trans	-69.4	-44.5	-179.7	-62.3	-29.4	0	0	0	111.3	D841 R845 A846 F847	D841-D843 VanDerWaalsContact C-N 3.31Å; D841-D843 PolarHBondContact O-N 3.32Å; D843-R845 VanDerWaalsContact C-N 3.29Å; D843-R845 PolarHBondContact O-N 3.05Å; D843-A846 PolarHBondContact O-N 3.06Å; D843-F847 WeakPolarHBondContact O-CB 3.35Å; D843-F847 PolarHBondContact O-N 2.93Å
844	S	97.8	Very high	94.9	Very high	0 Å²	0	81.2 Å²	81.2	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-60.3	-38.7	170.9	-66.5	0	0	0	0	112	H731 D841 L848	H731-S844 WeakPolarHBondContact CB-OG 3.47Å; H731-S844 PolarHBondContact ND1-OG 3.4Å; D841-S844 VanDerWaalsContact CG-CB 3.49Å; D841-S844 PolarHBondContact O-N 2.77Å; D841-S844 WeakPolarHBondContact OD1-CB 3.42Å; D841-S844 PolarHBondContact OD1-N 2.8Å; D841-S844 PolarHBondContact OD1-OG 3.35Å; D841-S844 WeakPolarHBondContact OD2-CB 3.12Å; D841-S844 PolarHBondContact OD2-OG 3.17Å; S844-L848 WeakPolarHBondContact O-CB 3.44Å; S844-L848 WeakPolarHBondContact O-CG 3.48Å; S844-L848 PolarHBondContact O-N 3.24Å
845	R	97.3	Very high	95.4	Very high	93 Å²	93	82.1 Å²	82.1	35%	0.351	40%	0.396	S	S	.	.	H	α-helix	trans	-63.5	-45.5	176.4	-173.2	172.7	-71.1	-79.5	-3	111.2	D708 M840 D841 L842 D843 K849	D708-R845 IonicContact OD1-CZ 2.68Å; D708-R845 IonicContact OD1-NH1 3.14Å; D708-R845 PolarHBondContact OD1-NH1 3.19Å; D708-R845 VanDerWaalsContact OD1-NH1 3.11Å; D708-R845 IonicContact OD1-NH2 3.92Å; D708-R845 PolarHBondContact OD1-NH2 2.83Å; D708-R845 IonicContact OD2-NH1 3.43Å; M840-R845 HydrophobicContact CE-CB 3.79Å; M840-R845 HydrophobicContact CE-CG 3.93Å; M840-R845 VanDerWaalsContact CE-CZ 3.41Å; D841-R845 PolarHBondContact O-N 2.9Å; L842-R845 WeakPolarHBondContact O-CB 3.47Å; L842-R845 PolarHBondContact O-N 3.15Å; D843-R845 VanDerWaalsContact C-N 3.29Å; D843-R845 PolarHBondContact O-N 3.05Å; R845-K849 WeakPolarHBondContact O-CB 3.49Å; R845-K849 PolarHBondContact O-N 2.78Å
846	A	95.4	Very high	95.9	Very high	54 Å²	54	79.5 Å²	79.5	45%	0.446	39%	0.386	S	S	.	.	H	α-helix	trans	-63.9	-47.7	177.6	0	0	0	0	0	111.5	L842 D843 L848 K849 D850	L842-A846 PolarHBondContact O-N 3.47Å; D843-A846 PolarHBondContact O-N 3.06Å; A846-L848 PolarHBondContact O-N 3.21Å; A846-K849 WeakPolarHBondContact O-CB 3.4Å; A846-K849 PolarHBondContact O-N 3.13Å; A846-D850 PolarHBondContact O-N 3.37Å; A846-D850 VanDerWaalsContact O-N 3.1Å
847	F	97.7	Very high	96.3	Very high	80 Å²	80	72.7 Å²	72.7	35%	0.351	36%	0.358	S	S	.	.	H	α-helix	trans	-55.3	-47.9	176.3	175.3	-93.3	0	0	0	112.3	I734 T735 D843 K849 D850 Y851	I734-F847 HydrophobicContact CB-CE1 4.3Å; I734-F847 HydrophobicContact CD1-CD1 3.86Å; I734-F847 HydrophobicContact CD1-CE1 4.43Å; I734-F847 HydrophobicContact CG1-CD1 4.08Å; I734-F847 HydrophobicContact CG1-CE1 4.18Å; T735-F847 HydrophobicContact CG2-CD1 4.43Å; T735-F847 HydrophobicContact CG2-CD2 4.3Å; T735-F847 HydrophobicContact CG2-CE1 4.24Å; T735-F847 HydrophobicContact CG2-CE2 4.09Å; T735-F847 HydrophobicContact CG2-CG 4.47Å; T735-F847 HydrophobicContact CG2-CZ 4.06Å; D843-F847 WeakPolarHBondContact O-CB 3.35Å; D843-F847 PolarHBondContact O-N 2.93Å; F847-K849 VanDerWaalsContact C-N 3.34Å; F847-D850 PolarHBondContact O-N 3.44Å; F847-Y851 WeakPolarHBondContact O-CB 3.4Å; F847-Y851 PolarHBondContact O-N 3.06Å
848	L	97.9	Very high	96.4	Very high	0 Å²	0	73 Å²	73	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-71.5	-30.3	-179.4	-69.4	173.6	0	0	0	112.9	A707 F730 I734 L752 M840 S844 A846 D850 Y851 Y852	A707-L848 HydrophobicContact CB-CB 3.62Å; A707-L848 HydrophobicContact CB-CD1 3.79Å; A707-L848 HydrophobicContact CB-CG 4.35Å; F730-L848 HydrophobicContact CE1-CD1 3.63Å; F730-L848 HydrophobicContact CZ-CD1 3.77Å; I734-L848 HydrophobicContact CB-CD2 4.22Å; I734-L848 HydrophobicContact CD1-CD1 3.97Å; I734-L848 HydrophobicContact CD1-CD2 4.17Å; I734-L848 HydrophobicContact CD1-CG 3.87Å; I734-L848 HydrophobicContact CG2-CD1 4.4Å; I734-L848 HydrophobicContact CG2-CD2 4.24Å; L752-L848 HydrophobicContact CD2-CD2 3.52Å; M840-L848 HydrophobicContact SD-CD1 4.13Å; S844-L848 WeakPolarHBondContact O-CB 3.44Å; S844-L848 WeakPolarHBondContact O-CG 3.48Å; S844-L848 PolarHBondContact O-N 3.24Å; A846-L848 PolarHBondContact O-N 3.21Å; L848-D850 VanDerWaalsContact C-N 3.33Å; L848-Y851 PolarHBondContact O-N 2.75Å; L848-Y852 HydrophobicContact CB-CD2 4.34Å; L848-Y852 HydrophobicContact CB-CE2 4.45Å; L848-Y852 HydrophobicContact CD2-CE2 4.14Å; L848-Y852 VanDerWaalsContact O-CD2 3.22Å; L848-Y852 WeakPolarHBondContact O-CD2 3.43Å; L848-Y852 PolarHBondContact O-N 2.88Å
849	K	95.8	Very high	96.6	Very high	69 Å²	69	68.4 Å²	68.4	30%	0.3	33%	0.333	S	S	.	.	H	α-helix	trans	-61.1	-45.9	173.2	-177.4	172.6	-179.9	-179.2	0	110.6	R845 A846 F847 R853 D877	R845-K849 WeakPolarHBondContact O-CB 3.49Å; R845-K849 PolarHBondContact O-N 2.78Å; A846-K849 WeakPolarHBondContact O-CB 3.4Å; A846-K849 PolarHBondContact O-N 3.13Å; F847-K849 VanDerWaalsContact C-N 3.34Å; K849-R853 PolarHBondContact O-N 2.92Å; K849-R853 VanDerWaalsContact O-N 3.17Å; K849-D877 WeakPolarHBondContact CE-OD1 3.28Å
850	D	96.2	Very high	96.7	Very high	120 Å²	120	60.6 Å²	60.6	64%	0.642	30%	0.299	S	S	*	.	H	α-helix	trans	-66.9	-44.7	176	-75.5	-7.9	0	0	0	111.7	A846 F847 L848 Y852 R853	A846-D850 PolarHBondContact O-N 3.37Å; A846-D850 VanDerWaalsContact O-N 3.1Å; F847-D850 PolarHBondContact O-N 3.44Å; L848-D850 VanDerWaalsContact C-N 3.33Å; D850-Y852 VanDerWaalsContact C-N 3.35Å; D850-Y852 PolarHBondContact O-N 2.85Å; D850-R853 VanDerWaalsContact O-CB 3.3Å; D850-R853 WeakPolarHBondContact O-CB 3.12Å; D850-R853 PolarHBondContact O-N 2.88Å
851	Y	97.5	Very high	96.7	Very high	77 Å²	77	65.5 Å²	65.5	30%	0.302	32%	0.32	S	S	.	.	H	α-helix	trans	-57.1	-43.2	178.3	176.4	-96.1	0	0	0	113.2	L752 W756 F847 L848	L752-Y851 HydrophobicContact CB-CE1 4.15Å; L752-Y851 HydrophobicContact CD1-CE1 4.25Å; L752-Y851 HydrophobicContact CD1-CE2 4.45Å; W756-Y851 VanDerWaalsContact CZ2-OH 3.28Å; W756-Y851 WeakPolarHBondContact CZ2-OH 2.9Å; W756-Y851 AromaticContact NE1-CE1 3.72Å; W756-Y851 AromaticContact NE1-CZ 3.75Å; W756-Y851 PolarHBondContact NE1-OH 3.09Å; W756-Y851 VanDerWaalsContact NE1-OH 3.17Å; F847-Y851 WeakPolarHBondContact O-CB 3.4Å; F847-Y851 PolarHBondContact O-N 3.06Å; L848-Y851 PolarHBondContact O-N 2.75Å
852	Y	98.1	Very high	96.8	Very high	1 Å²	1	62.7 Å²	62.7	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-88.8	-2.9	-178.6	-72.3	-63.1	0	0	0	114.4	P706 L752 W756 L848 D850 D854 H855 N856	P706-Y852 HydrophobicContact CB-CD1 4Å; P706-Y852 HydrophobicContact CB-CD2 3.72Å; P706-Y852 HydrophobicContact CB-CE1 3.95Å; P706-Y852 HydrophobicContact CB-CE2 3.67Å; P706-Y852 HydrophobicContact CB-CG 3.88Å; P706-Y852 HydrophobicContact CG-CD1 4.11Å; P706-Y852 HydrophobicContact CG-CD2 3.6Å; P706-Y852 HydrophobicContact CG-CE2 4.1Å; P706-Y852 HydrophobicContact CG-CG 3.6Å; L752-Y852 VanDerWaalsContact CA-OH 3.25Å; L752-Y852 WeakPolarHBondContact CA-OH 3.31Å; L752-Y852 PolarHBondContact O-OH 2.86Å; W756-Y852 AromaticContact CD1-CE1 3.85Å; L848-Y852 HydrophobicContact CB-CD2 4.34Å; L848-Y852 HydrophobicContact CB-CE2 4.45Å; L848-Y852 HydrophobicContact CD2-CE2 4.14Å; L848-Y852 VanDerWaalsContact O-CD2 3.22Å; L848-Y852 WeakPolarHBondContact O-CD2 3.43Å; L848-Y852 PolarHBondContact O-N 2.88Å; D850-Y852 VanDerWaalsContact C-N 3.35Å; D850-Y852 PolarHBondContact O-N 2.85Å; Y852-D854 PolarHBondContact O-N 3.16Å; Y852-H855 HydrophobicContact CD1-CB 4.39Å; Y852-H855 CarbonylContact O-C 3.55Å; Y852-H855 WeakPolarHBondContact O-CB 3.2Å; Y852-H855 PolarHBondContact O-N 3.15Å; Y852-H855 VanDerWaalsContact O-N 3.1Å; Y852-N856 WeakPolarHBondContact O-CB 3.37Å; Y852-N856 PolarHBondContact O-N 2.97Å
853	R	95.8	Very high	96.8	Very high	118 Å²	118	56.2 Å²	56.2	45%	0.445	27%	0.271	S	S	.	.	H	α-helix	trans	-51.9	-54.1	-173.5	-175.2	-179.1	122.2	161	3.2	112.5	K849 D850 H855 N856 I857 T881	K849-R853 PolarHBondContact O-N 2.92Å; K849-R853 VanDerWaalsContact O-N 3.17Å; D850-R853 VanDerWaalsContact O-CB 3.3Å; D850-R853 WeakPolarHBondContact O-CB 3.12Å; D850-R853 PolarHBondContact O-N 2.88Å; R853-H855 PolarHBondContact O-N 3.29Å; R853-N856 PolarHBondContact O-N 3.38Å; R853-I857 HydrophobicContact CG-CD1 4.32Å; R853-I857 WeakPolarHBondContact O-CG1 3.44Å; R853-I857 PolarHBondContact O-N 3.21Å; R853-T881 HydrophobicContact CG-CG2 3.92Å
854	D	94.9	Very high	96.8	Very high	107 Å²	107	59.8 Å²	59.8	57%	0.572	28%	0.277	S	S	*	.	H	α-helix	trans	-68.4	-36.9	-178.9	-67.4	-19.8	0	0	0	111.6	Y852 N856 I857 E858	Y852-D854 PolarHBondContact O-N 3.16Å; D854-N856 VanDerWaalsContact C-N 3.32Å; D854-N856 PolarHBondContact O-N 2.79Å; D854-I857 PolarHBondContact O-N 3.16Å; D854-E858 WeakPolarHBondContact O-CG 3.33Å; D854-E858 PolarHBondContact O-N 3.42Å
855	H	96.6	Very high	96.6	Very high	50 Å²	50	67.6 Å²	67.6	23%	0.231	31%	0.311	C	S	.	.	H	α-helix	trans	-61.7	-38.6	173.8	-69.8	-74.9	0	0	0	112.6	W756 Y852 R853 L859	W756-H855 AromaticContact CD1-CD2 3.73Å; W756-H855 AromaticContact CD1-CE1 3.39Å; W756-H855 AromaticContact CD1-CG 3.88Å; W756-H855 AromaticContact CD1-ND1 3.67Å; W756-H855 AromaticContact CD1-NE2 3.41Å; W756-H855 AromaticContact CD2-CE1 3.8Å; W756-H855 AromaticContact CE2-CE1 3.82Å; W756-H855 AromaticContact CE2-NE2 3.77Å; W756-H855 AromaticContact CG-CE1 3.56Å; W756-H855 AromaticContact CG-ND1 3.83Å; W756-H855 AromaticContact NE1-CD2 3.83Å; W756-H855 AromaticContact NE1-CE1 3.53Å; W756-H855 AromaticContact NE1-NE2 3.21Å; W756-H855 PolarHBondContact NE1-NE2 2.92Å; Y852-H855 HydrophobicContact CD1-CB 4.39Å; Y852-H855 CarbonylContact O-C 3.55Å; Y852-H855 WeakPolarHBondContact O-CB 3.2Å; Y852-H855 PolarHBondContact O-N 3.15Å; Y852-H855 VanDerWaalsContact O-N 3.1Å; R853-H855 PolarHBondContact O-N 3.29Å; H855-L859 VanDerWaalsContact O-CB 3.31Å; H855-L859 WeakPolarHBondContact O-CB 3.38Å; H855-L859 PolarHBondContact O-N 2.95Å
856	N	97.8	Very high	96.5	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-71.9	-36.2	178	-76.1	-10.9	0	0	0	111.7	Y852 R853 D854 L859 S860 L874 D877 L878	Y852-N856 WeakPolarHBondContact O-CB 3.37Å; Y852-N856 PolarHBondContact O-N 2.97Å; R853-N856 PolarHBondContact O-N 3.38Å; D854-N856 VanDerWaalsContact C-N 3.32Å; D854-N856 PolarHBondContact O-N 2.79Å; N856-L859 PolarHBondContact O-N 3.28Å; N856-S860 WeakPolarHBondContact O-CB 3.4Å; N856-S860 PolarHBondContact O-N 2.96Å; N856-L874 HydrophobicContact CB-CD1 3.65Å; N856-D877 PolarHBondContact ND2-OD2 2.94Å; N856-L878 HydrophobicContact CB-CD2 4.38Å
857	I	96.4	Very high	96.5	Very high	45 Å²	45	64.6 Å²	64.6	23%	0.231	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-51.1	171.6	-69.5	167.2	0	0	0	109.9	R853 D854 L859 S860 K861 L878	R853-I857 HydrophobicContact CG-CD1 4.32Å; R853-I857 WeakPolarHBondContact O-CG1 3.44Å; R853-I857 PolarHBondContact O-N 3.21Å; D854-I857 PolarHBondContact O-N 3.16Å; I857-L859 VanDerWaalsContact C-N 3.33Å; I857-L859 PolarHBondContact O-N 3.38Å; I857-S860 PolarHBondContact O-N 3.5Å; I857-S860 VanDerWaalsContact O-N 3.16Å; I857-S860 PolarHBondContact O-OG 2.96Å; I857-K861 HydrophobicContact CG2-CD 4.5Å; I857-K861 PolarHBondContact O-N 2.96Å; I857-K861 VanDerWaalsContact O-N 3.16Å; I857-L878 HydrophobicContact CG1-CD2 3.88Å
858	E	96.1	Very high	96.4	Very high	95 Å²	95	62.3 Å²	62.3	44%	0.444	30%	0.3	S	S	.	.	H	α-helix	trans	-63.1	-39.2	178.5	-68	-49	123.3	0	0	112.3	A758 D854 S860 K861 L862	A758-E858 HydrophobicContact CB-CB 4.19Å; D854-E858 WeakPolarHBondContact O-CG 3.33Å; D854-E858 PolarHBondContact O-N 3.42Å; E858-S860 VanDerWaalsContact C-N 3.33Å; E858-S860 PolarHBondContact O-N 3.44Å; E858-K861 PolarHBondContact O-N 3.41Å; E858-K861 IonicContact OE1-NZ 2.62Å; E858-K861 PolarHBondContact OE1-NZ 3.4Å; E858-K861 IonicContact OE2-NZ 3.68Å; E858-L862 WeakPolarHBondContact O-CB 3.39Å; E858-L862 PolarHBondContact O-N 3.21Å
859	L	98.1	Very high	96.2	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-59.1	-44.3	173.2	179.2	64.9	0	0	0	111.5	L703 Y757 A758 I761 H855 N856 I857 K861 L862 L863 W873 L874	L703-L859 HydrophobicContact CD1-CD1 4.18Å; L703-L859 HydrophobicContact CD1-CD2 4.1Å; Y757-L859 HydrophobicContact CD2-CD2 3.78Å; Y757-L859 HydrophobicContact CG-CD2 4.38Å; A758-L859 HydrophobicContact CB-CB 4.17Å; I761-L859 HydrophobicContact CD1-CD1 3.79Å; H855-L859 VanDerWaalsContact O-CB 3.31Å; H855-L859 WeakPolarHBondContact O-CB 3.38Å; H855-L859 PolarHBondContact O-N 2.95Å; N856-L859 PolarHBondContact O-N 3.28Å; I857-L859 VanDerWaalsContact C-N 3.33Å; I857-L859 PolarHBondContact O-N 3.38Å; L859-K861 VanDerWaalsContact C-N 3.33Å; L859-K861 PolarHBondContact O-N 3.42Å; L859-L862 PolarHBondContact O-N 3.26Å; L859-L863 HydrophobicContact CD1-CD1 4.06Å; L859-L863 HydrophobicContact CD1-CD2 4.24Å; L859-L863 HydrophobicContact CD1-CG 3.9Å; L859-L863 HydrophobicContact CG-CD1 3.99Å; L859-L863 HydrophobicContact CG-CG 4.19Å; L859-L863 WeakPolarHBondContact O-CB 3.33Å; L859-L863 VanDerWaalsContact O-CG 3.28Å; L859-L863 WeakPolarHBondContact O-CG 3.43Å; L859-L863 PolarHBondContact O-N 3.02Å; L859-W873 HydrophobicContact CD2-CH2 4.04Å; L859-W873 HydrophobicContact CD2-CZ2 4.34Å; L859-L874 HydrophobicContact CD2-CD1 4.5Å; L859-L874 HydrophobicContact CD2-CD2 3.96Å; L859-L874 HydrophobicContact CG-CD2 4.13Å
860	S	97.8	Very high	96.3	Very high	23 Å²	23	66.5 Å²	66.5	16%	0.161	33%	0.33	C	S	.	.	H	α-helix	trans	-61.6	-41.7	179.9	78.3	0	0	0	0	112.4	N856 I857 E858 Y864	N856-S860 WeakPolarHBondContact O-CB 3.4Å; N856-S860 PolarHBondContact O-N 2.96Å; I857-S860 PolarHBondContact O-N 3.5Å; I857-S860 VanDerWaalsContact O-N 3.16Å; I857-S860 PolarHBondContact O-OG 2.96Å; E858-S860 VanDerWaalsContact C-N 3.33Å; E858-S860 PolarHBondContact O-N 3.44Å; S860-Y864 WeakPolarHBondContact O-CB 3.45Å; S860-Y864 PolarHBondContact O-N 3.43Å; S860-Y864 VanDerWaalsContact O-N 3.07Å
861	K	96.1	Very high	96.3	Very high	114 Å²	114	61 Å²	61	50%	0.496	30%	0.3	S	S	.	.	H	α-helix	trans	-65.3	-44.6	176.5	-66.4	172.8	-173.5	167	0	110.9	I857 E858 L859 Y864 K865	I857-K861 HydrophobicContact CG2-CD 4.5Å; I857-K861 PolarHBondContact O-N 2.96Å; I857-K861 VanDerWaalsContact O-N 3.16Å; E858-K861 PolarHBondContact O-N 3.41Å; E858-K861 IonicContact OE1-NZ 2.62Å; E858-K861 PolarHBondContact OE1-NZ 3.4Å; E858-K861 IonicContact OE2-NZ 3.68Å; L859-K861 VanDerWaalsContact C-N 3.33Å; L859-K861 PolarHBondContact O-N 3.42Å; K861-Y864 PolarHBondContact O-N 3.41Å; K861-K865 WeakPolarHBondContact O-CB 3.39Å; K861-K865 PolarHBondContact O-N 3.17Å
862	L	96.6	Very high	96.2	Very high	9 Å²	9	59.8 Å²	59.8	5%	0.047	30%	0.301	C	S	.	.	H	α-helix	trans	-63.9	-47.2	179.6	-178.9	62	0	0	0	111.9	A758 I761 E762 L765 E858 L859 Y864 K865 M866	A758-L862 HydrophobicContact CB-CD2 4.2Å; A758-L862 WeakPolarHBondContact O-CD2 3.26Å; I761-L862 HydrophobicContact CB-CD2 3.9Å; I761-L862 HydrophobicContact CG2-CD2 3.73Å; I761-L862 HydrophobicContact CG2-CG 4.42Å; E762-L862 HydrophobicContact CG-CD1 4.04Å; E762-L862 HydrophobicContact CG-CD2 3.71Å; L765-L862 HydrophobicContact CD2-CD1 4.05Å; E858-L862 WeakPolarHBondContact O-CB 3.39Å; E858-L862 PolarHBondContact O-N 3.21Å; L859-L862 PolarHBondContact O-N 3.26Å; L862-Y864 VanDerWaalsContact C-N 3.31Å; L862-Y864 PolarHBondContact O-N 2.94Å; L862-K865 WeakPolarHBondContact O-CB 3.39Å; L862-K865 PolarHBondContact O-N 3.34Å; L862-M866 HydrophobicContact CD1-CG 4.41Å; L862-M866 HydrophobicContact CD1-SD 4.26Å; L862-M866 HydrophobicContact CG-SD 3.99Å; L862-M866 VanDerWaalsContact O-CG 3.31Å; L862-M866 WeakPolarHBondContact O-CG 3.39Å; L862-M866 PolarHBondContact O-N 3.09Å
863	L	97.1	Very high	96.1	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-40.1	177.9	-68.1	-177	0	0	0	111.7	I761 V775 L859 M866 G867 Q868 L870 P871 L874	I761-L863 HydrophobicContact CD1-CD2 4.42Å; V775-L863 HydrophobicContact CB-CD2 4.01Å; V775-L863 HydrophobicContact CG1-CD1 4.48Å; V775-L863 HydrophobicContact CG1-CD2 3.91Å; V775-L863 HydrophobicContact CG2-CD2 3.68Å; L859-L863 HydrophobicContact CD1-CD1 4.06Å; L859-L863 HydrophobicContact CD1-CD2 4.24Å; L859-L863 HydrophobicContact CD1-CG 3.9Å; L859-L863 HydrophobicContact CG-CD1 3.99Å; L859-L863 HydrophobicContact CG-CG 4.19Å; L859-L863 WeakPolarHBondContact O-CB 3.33Å; L859-L863 VanDerWaalsContact O-CG 3.28Å; L859-L863 WeakPolarHBondContact O-CG 3.43Å; L859-L863 PolarHBondContact O-N 3.02Å; L863-M866 PolarHBondContact O-N 3.44Å; L863-G867 PolarHBondContact O-N 3.47Å; L863-G867 VanDerWaalsContact O-N 3.16Å; L863-Q868 HydrophobicContact CB-CB 4.23Å; L863-Q868 HydrophobicContact CD2-CB 4.1Å; L863-Q868 HydrophobicContact CD2-CG 4.4Å; L863-Q868 PolarHBondContact O-N 2.94Å; L863-L870 HydrophobicContact CB-CD2 3.81Å; L863-L870 HydrophobicContact CD1-CD2 4.1Å; L863-P871 HydrophobicContact CD1-CG 4.45Å; L863-L874 HydrophobicContact CD1-CD2 4.24Å
864	Y	95	Very high	96.2	Very high	195 Å²	195	54.4 Å²	54.4	77%	0.765	28%	0.281	S	S	*	.	H	α-helix	trans	-60.5	-46.9	173.2	-175.9	-97.1	0	0	0	111.6	S860 K861 L862 M866 G867	S860-Y864 WeakPolarHBondContact O-CB 3.45Å; S860-Y864 PolarHBondContact O-N 3.43Å; S860-Y864 VanDerWaalsContact O-N 3.07Å; K861-Y864 PolarHBondContact O-N 3.41Å; L862-Y864 VanDerWaalsContact C-N 3.31Å; L862-Y864 PolarHBondContact O-N 2.94Å; Y864-M866 VanDerWaalsContact C-N 3.27Å; Y864-M866 PolarHBondContact O-N 3.31Å; Y864-G867 PolarHBondContact O-N 3.45Å
865	K	93.7	Very high	96.2	Very high	165 Å²	165	55 Å²	55	72%	0.717	28%	0.275	S	S	*	.	H	α-helix	trans	-59.4	-35.7	175.5	-178.3	-176.7	176.8	-175.2	0	112.6	K861 L862 G867	K861-K865 WeakPolarHBondContact O-CB 3.39Å; K861-K865 PolarHBondContact O-N 3.17Å; L862-K865 WeakPolarHBondContact O-CB 3.39Å; L862-K865 PolarHBondContact O-N 3.34Å; K865-G867 VanDerWaalsContact C-N 3.27Å; K865-G867 PolarHBondContact O-N 3.31Å
866	M	94.9	Very high	96	Very high	15 Å²	15	56.8 Å²	56.8	7%	0.074	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-5.4	176.9	-68.3	172.3	64.6	0	0	113.8	I761 L765 I773 V775 L862 L863 Y864 Q868	I761-M866 HydrophobicContact CG2-CE 3.92Å; I761-M866 HydrophobicContact CG2-SD 3.52Å; I761-M866 VanDerWaalsContact CG2-SD 3.52Å; L765-M866 HydrophobicContact CD1-CE 4.45Å; L765-M866 HydrophobicContact CD1-CG 4.35Å; L765-M866 HydrophobicContact CD2-CG 4.13Å; L765-M866 HydrophobicContact CD2-SD 4.39Å; I773-M866 HydrophobicContact CB-CE 4.02Å; I773-M866 HydrophobicContact CD1-CE 4.28Å; I773-M866 HydrophobicContact CG2-CE 3.78Å; V775-M866 HydrophobicContact CG2-CE 4.46Å; L862-M866 HydrophobicContact CD1-CG 4.41Å; L862-M866 HydrophobicContact CD1-SD 4.26Å; L862-M866 HydrophobicContact CG-SD 3.99Å; L862-M866 VanDerWaalsContact O-CG 3.31Å; L862-M866 WeakPolarHBondContact O-CG 3.39Å; L862-M866 PolarHBondContact O-N 3.09Å; L863-M866 PolarHBondContact O-N 3.44Å; Y864-M866 VanDerWaalsContact C-N 3.27Å; Y864-M866 PolarHBondContact O-N 3.31Å; M866-Q868 VanDerWaalsContact C-N 3.3Å; M866-Q868 HydrophobicContact CB-CG 3.76Å; M866-Q868 HydrophobicContact CE-CG 4.29Å; M866-Q868 PolarHBondContact O-N 3.45Å
867	G	95.6	Very high	95.7	Very high	68 Å²	68	57.2 Å²	57.2	70%	0.701	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	22.4	-174.2	0	0	0	0	0	114.1	L863 Y864 K865	L863-G867 PolarHBondContact O-N 3.47Å; L863-G867 VanDerWaalsContact O-N 3.16Å; Y864-G867 PolarHBondContact O-N 3.45Å; K865-G867 VanDerWaalsContact C-N 3.27Å; K865-G867 PolarHBondContact O-N 3.31Å
868	Q	95.6	Very high	95.5	Very high	32 Å²	32	56.9 Å²	56.9	15%	0.15	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-91.4	146.8	-179	-59.1	-70.8	-44	0	0	110.9	I773 V775 L863 M866	I773-Q868 PolarHBondContact O-NE2 2.92Å; V775-Q868 HydrophobicContact CB-CG 4.45Å; V775-Q868 HydrophobicContact CG2-CG 4.18Å; L863-Q868 HydrophobicContact CB-CB 4.23Å; L863-Q868 HydrophobicContact CD2-CB 4.1Å; L863-Q868 HydrophobicContact CD2-CG 4.4Å; L863-Q868 PolarHBondContact O-N 2.94Å; M866-Q868 VanDerWaalsContact C-N 3.3Å; M866-Q868 HydrophobicContact CB-CG 3.76Å; M866-Q868 HydrophobicContact CE-CG 4.29Å; M866-Q868 PolarHBondContact O-N 3.45Å
869	T	95.1	Very high	94.9	Very high	108 Å²	108	59 Å²	59	66%	0.663	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-73.8	130.6	175.4	-62.2	0	0	0	0	110.4	P871	T869-P871 WeakPolarHBondContact O-CD 3.28Å
870	L	96.6	Very high	93.2	Very high	50 Å²	50	64.5 Å²	64.5	26%	0.262	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-63.6	127.4	176.5	-61.4	-177.2	0	0	0	110.9	L863 L874 R875	L863-L870 HydrophobicContact CB-CD2 3.81Å; L863-L870 HydrophobicContact CD1-CD2 4.1Å; L870-L874 HydrophobicContact CD2-CD2 4.2Å; L870-R875 HydrophobicContact CB-CG 4.01Å; L870-R875 PolarHBondContact O-NE 2.87Å; L870-R875 PolarHBondContact O-NH2 2.82Å
871	P	97.3	Very high	91.2	Very high	3 Å²	3	65.7 Å²	65.7	2%	0.019	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-55	146.6	173.9	-26.8	35	0	0	0	112.6	D777 L863 T869 W873 L874 R875	D777-P871 HydrophobicContact CB-CB 4.01Å; L863-P871 HydrophobicContact CD1-CG 4.45Å; T869-P871 WeakPolarHBondContact O-CD 3.28Å; P871-W873 VanDerWaalsContact C-N 3.35Å; P871-W873 HydrophobicContact CB-CG 4.35Å; P871-W873 VanDerWaalsContact CB-NE1 3.35Å; P871-W873 PolarHBondContact O-N 3.33Å; P871-L874 HydrophobicContact CB-CB 4.31Å; P871-L874 WeakPolarHBondContact O-CB 3.42Å; P871-L874 PolarHBondContact O-N 3.49Å; P871-L874 VanDerWaalsContact O-N 3.08Å; P871-R875 PolarHBondContact O-N 3.01Å; P871-R875 VanDerWaalsContact O-N 3.16Å
872	T	95.9	Very high	88.5	Confident	52 Å²	52	74.4 Å²	74.4	32%	0.319	36%	0.36	S	S	.	.	H	α-helix	trans	-55.9	-46.6	-179.6	53.1	0	0	0	0	112.2	D777 L874 R875 E876	D777-T872 VanDerWaalsContact OD2-CB 3.3Å; D777-T872 WeakPolarHBondContact OD2-CB 3.39Å; D777-T872 WeakPolarHBondContact OD2-CG2 3.29Å; D777-T872 PolarHBondContact OD2-N 3.06Å; D777-T872 PolarHBondContact OD2-OG1 2.95Å; T872-L874 PolarHBondContact O-N 3.39Å; T872-R875 PolarHBondContact O-N 3.26Å; T872-E876 WeakPolarHBondContact O-CG 3.42Å; T872-E876 PolarHBondContact O-N 3.47Å; T872-E876 VanDerWaalsContact O-N 3.09Å
873	W	95.8	Very high	88.1	Confident	7 Å²	7	77.7 Å²	77.7	3%	0.027	38%	0.376	C	S	.	.	H	α-helix	trans	-60.8	-32.4	178	69.3	-98	0	0	0	113.1	L703 I704 N705 P706 Y757 K779 L859 P871 D877	L703-W873 HydrophobicContact CB-CZ2 4.06Å; L703-W873 PolarHBondContact O-NE1 2.88Å; I704-W873 VanDerWaalsContact C-CE2 3.44Å; I704-W873 WeakPolarHBondContact O-CZ2 3.45Å; N705-W873 HydrophobicContact CB-CB 4.41Å; N705-W873 HydrophobicContact CB-CD2 4.16Å; N705-W873 HydrophobicContact CB-CE3 3.97Å; N705-W873 HydrophobicContact CB-CG 4.37Å; P706-W873 HydrophobicContact CG-CZ3 4.4Å; Y757-W873 HydrophobicContact CD2-CH2 4.06Å; Y757-W873 HydrophobicContact CD2-CZ2 4.13Å; Y757-W873 AromaticContact CE2-CH2 3.86Å; Y757-W873 HydrophobicContact CE2-CH2 3.86Å; Y757-W873 AromaticContact CE2-CZ2 3.82Å; Y757-W873 HydrophobicContact CE2-CZ2 3.82Å; K779-W873 HydrophobicContact CD-CB 4.22Å; L859-W873 HydrophobicContact CD2-CH2 4.04Å; L859-W873 HydrophobicContact CD2-CZ2 4.34Å; P871-W873 VanDerWaalsContact C-N 3.35Å; P871-W873 HydrophobicContact CB-CG 4.35Å; P871-W873 VanDerWaalsContact CB-NE1 3.35Å; P871-W873 PolarHBondContact O-N 3.33Å; W873-D877 WeakPolarHBondContact O-CB 3.46Å; W873-D877 PolarHBondContact O-N 3.34Å
874	L	97.1	Very high	87.7	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-75.4	-37.6	-179.4	-179.8	62.3	0	0	0	110.7	N856 L859 L863 L870 P871 T872 D877 L878	N856-L874 HydrophobicContact CB-CD1 3.65Å; L859-L874 HydrophobicContact CD2-CD1 4.5Å; L859-L874 HydrophobicContact CD2-CD2 3.96Å; L859-L874 HydrophobicContact CG-CD2 4.13Å; L863-L874 HydrophobicContact CD1-CD2 4.24Å; L870-L874 HydrophobicContact CD2-CD2 4.2Å; P871-L874 HydrophobicContact CB-CB 4.31Å; P871-L874 WeakPolarHBondContact O-CB 3.42Å; P871-L874 PolarHBondContact O-N 3.49Å; P871-L874 VanDerWaalsContact O-N 3.08Å; T872-L874 PolarHBondContact O-N 3.39Å; L874-D877 PolarHBondContact O-N 2.93Å; L874-L878 HydrophobicContact CD1-CD1 3.99Å; L874-L878 HydrophobicContact CD1-CG 4.17Å; L874-L878 HydrophobicContact CG-CD1 4Å; L874-L878 WeakPolarHBondContact O-CB 3.34Å; L874-L878 VanDerWaalsContact O-CG 3.29Å; L874-L878 WeakPolarHBondContact O-CG 3.41Å; L874-L878 PolarHBondContact O-N 3.3Å
875	R	94.9	Very high	87.3	Confident	120 Å²	120	75.4 Å²	75.4	45%	0.453	38%	0.375	S	S	.	.	H	α-helix	trans	-63	-45.3	173.6	-62	-178.6	-163.1	-159.3	0.3	111.2	L870 P871 T872 D877 L878 Q879	L870-R875 HydrophobicContact CB-CG 4.01Å; L870-R875 PolarHBondContact O-NE 2.87Å; L870-R875 PolarHBondContact O-NH2 2.82Å; P871-R875 PolarHBondContact O-N 3.01Å; P871-R875 VanDerWaalsContact O-N 3.16Å; T872-R875 PolarHBondContact O-N 3.26Å; R875-D877 VanDerWaalsContact C-N 3.33Å; R875-D877 PolarHBondContact O-N 3.3Å; R875-L878 PolarHBondContact O-N 2.96Å; R875-Q879 WeakPolarHBondContact O-CB 3.35Å; R875-Q879 VanDerWaalsContact O-CG 3.22Å; R875-Q879 WeakPolarHBondContact O-CG 3.29Å; R875-Q879 PolarHBondContact O-N 2.95Å
876	E	93	Very high	86.9	Confident	86 Å²	86	70.2 Å²	70.2	40%	0.402	36%	0.355	S	S	.	.	H	α-helix	trans	-60.3	-42.1	176.7	-70.2	166.9	-164.5	0	0	111.7	K779 T872 N880	K779-E876 IonicContact NZ-OE1 2.77Å; K779-E876 PolarHBondContact NZ-OE1 3.41Å; K779-E876 IonicContact NZ-OE2 3.55Å; K779-E876 PolarHBondContact NZ-OE2 2.94Å; T872-E876 WeakPolarHBondContact O-CG 3.42Å; T872-E876 PolarHBondContact O-N 3.47Å; T872-E876 VanDerWaalsContact O-N 3.09Å; E876-N880 PolarHBondContact O-ND2 3.46Å
877	D	92	Very high	86.4	Confident	13 Å²	13	73.6 Å²	73.6	7%	0.07	37%	0.372	C	S	.	.	H	α-helix	trans	-64.8	-48.4	179.3	-169.4	61.5	0	0	0	112	K849 N856 W873 L874 R875 Q879 N880 T881	K849-D877 WeakPolarHBondContact CE-OD1 3.28Å; N856-D877 PolarHBondContact ND2-OD2 2.94Å; W873-D877 WeakPolarHBondContact O-CB 3.46Å; W873-D877 PolarHBondContact O-N 3.34Å; L874-D877 PolarHBondContact O-N 2.93Å; R875-D877 VanDerWaalsContact C-N 3.33Å; R875-D877 PolarHBondContact O-N 3.3Å; D877-Q879 PolarHBondContact O-N 2.91Å; D877-N880 PolarHBondContact O-N 3.36Å; D877-T881 PolarHBondContact O-OG1 2.9Å
878	L	90.7	Very high	85.8	Confident	39 Å²	39	74 Å²	74	20%	0.204	35%	0.35	C	S	.	.	H	α-helix	trans	-71.5	-29.7	-177.4	-66.4	174.1	0	0	0	113.7	N856 I857 L874 R875 N880 T881	N856-L878 HydrophobicContact CB-CD2 4.38Å; I857-L878 HydrophobicContact CG1-CD2 3.88Å; L874-L878 HydrophobicContact CD1-CD1 3.99Å; L874-L878 HydrophobicContact CD1-CG 4.17Å; L874-L878 HydrophobicContact CG-CD1 4Å; L874-L878 WeakPolarHBondContact O-CB 3.34Å; L874-L878 VanDerWaalsContact O-CG 3.29Å; L874-L878 WeakPolarHBondContact O-CG 3.41Å; L874-L878 PolarHBondContact O-N 3.3Å; R875-L878 PolarHBondContact O-N 2.96Å; L878-N880 VanDerWaalsContact C-N 3.27Å; L878-N880 PolarHBondContact O-N 3.47Å; L878-T881 WeakPolarHBondContact O-CB 3.3Å; L878-T881 PolarHBondContact O-N 3.35Å
879	Q	83.9	Confident	85.1	Confident	138 Å²	138	77 Å²	77	65%	0.645	37%	0.365	S	S	*	.	H	α-helix	trans	-62.8	-36.8	174.1	-80.1	173.8	-3.9	0	0	112	R875 D877 T881	R875-Q879 WeakPolarHBondContact O-CB 3.35Å; R875-Q879 VanDerWaalsContact O-CG 3.22Å; R875-Q879 WeakPolarHBondContact O-CG 3.29Å; R875-Q879 PolarHBondContact O-N 2.95Å; D877-Q879 PolarHBondContact O-N 2.91Å; Q879-T881 PolarHBondContact O-N 2.94Å
880	N	62.4	Low	84.3	Confident	117 Å²	117	74.6 Å²	74.6	63%	0.626	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	11.7	178.6	-67.3	-48.7	0	0	0	113.4	E876 D877 L878	E876-N880 PolarHBondContact O-ND2 3.46Å; D877-N880 PolarHBondContact O-N 3.36Å; L878-N880 VanDerWaalsContact C-N 3.27Å; L878-N880 PolarHBondContact O-N 3.47Å
881	T	56.1	Low	83.3	Confident	48 Å²	48	76.7 Å²	76.7	29%	0.294	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-2.7	-179.8	-42.3	0	0	0	0	111.9	R853 D877 L878 Q879	R853-T881 HydrophobicContact CG-CG2 3.92Å; D877-T881 PolarHBondContact O-OG1 2.9Å; L878-T881 WeakPolarHBondContact O-CB 3.3Å; L878-T881 PolarHBondContact O-N 3.35Å; Q879-T881 PolarHBondContact O-N 2.94Å
882	R	40.1	Very low	82	Confident	297 Å²	297	83.4 Å²	83.4	100%	1.121	38%	0.378	S	S	*	.			trans	-90.5	0	175	-83.5	-170.8	177.6	-175.4	-0.7	112.6

Retrieved 882 of 882 residues in 182.5 ms (Link to these results)

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