A0A087YD26_POEFO Loading...

A disintegrin and metalloproteinase with thrombospondin motifs 1

AlphaFold DB , UniProt , Accession A0A087YD26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 931 aa.

						>A0A087YD26_POEFO|A0A087YD26
CQKMRITPRFVSLLLCLVNAALASQFESEDVVPVRINSRIGGRFWKRSEENPIFTLKAFGRNLTLNLIPDTSFLSPAFNIQGVSAGYTATLRSASGAQPEGRLRRCFFSGNVGQDENSLVAVSLCSGIFGSFISEGKEYLIEPKLRSGQRPDSAEQLHVIRRRILAENRGVPLLFNGAAETLGAESFTHGGSDARREARRKRFVSEPRFIETLAVADSTMTHFYGDEIKHYVLTLMSMVAQLYKHPSIKNSVNIVVVKMLVVEDEEAGPELSSNGGVALRNFCSWQQLFNPPSQRHPEHYDTAMLFTREDICGQKSCDTLGVADVGTMCDPKRSCSVIEDNGLQAAFTAAHELGHVLSMPHDDSKTCEKLFGDLGGHYLMAPLFVSLNKSVPWSPCSSLYITEFFDNGHGDCLLDVPESTIPLPPELPGTVYNLDQQCQQIFGEEFVHCPNTSDSDICSQLWCREDGTGQCATKNGSLTWADGTPCRSNGTCLHGACKIQKYQIHLERAVDGSWSLWGPWQQCSRTCGGGVEFSYRECTDPVPQNGGKYCEGQRVRYQSCNTEPCDASEGKSFREEQCEKYNSPNYLDYNGNVKQWIPKYAGVSPRDRCKLFCRARGSSEFKVFESKVIDGTTCGPDTTSVCVQGQCVKAGCDQVIGSNKRVDKCGECGGNGLSCRKITGSYNKGIYGYSDIVTIPIGATNIDIKQRSHRGIKHDGNYLAVKRENGAYILNGNFSVSTVEQDIPILGAVLKYSGSSTTLERIQSFRQLKEAITIQVLATGGDANPPKIKYTFFIPKDTAFSKSKEKKGLYLSLHMISDVSDWVLGEWSECSKSCGSGWSRRSVECRDGDGFFSSQCDRELKPTDIRPCGDVPCPIWQMGPWSACSRTCGQGERRRSVFCIDYTGKTVEPEMCDPNKVPEPASGQCNNHDCS
					

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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	C	30.5	Very low	32	Very low	177 Å²	177	172.3 Å²	172.3	100%	1.196	85%	0.849	S	S	*	*				0	159.9	0	-70.3	0	0	0	0	110.4
2	Q	29.8	Very low	32.2	Very low	200 Å²	200	164.7 Å²	164.7	94%	0.935	83%	0.825	S	S	*	*			trans	59.9	155.8	173.6	-83.2	168.5	-35.7	0	0	118.2
3	K	32.2	Very low	32.2	Very low	199 Å²	199	162.5 Å²	162.5	87%	0.865	82%	0.817	S	S	*	*			trans	-109.4	151.8	-175.8	-59.2	164.5	179.1	168.7	0	108.6
4	M	26.4	Very low	32.3	Very low	178 Å²	178	160.1 Å²	160.1	88%	0.877	81%	0.806	S	S	*	*			trans	-139.4	120.3	143.6	-143	166.9	-172.6	0	0	109.2
5	R	33.9	Very low	32.3	Very low	240 Å²	240	156.1 Å²	156.1	91%	0.906	79%	0.788	S	S	*	*			trans	-100.2	124.6	172	-84.6	-177.9	169.5	178.1	-4.7	107.6
6	I	30.5	Very low	32.2	Very low	148 Å²	148	152.6 Å²	152.6	76%	0.759	78%	0.781	S	S	*	*			trans	-128.7	145.1	161.9	-60	-178.1	0	0	0	106.8
7	T	33	Very low	32.1	Very low	123 Å²	123	152.1 Å²	152.1	76%	0.755	78%	0.779	S	S	*	*			trans	-90.8	139.2	-163.4	37.9	0	0	0	0	113.8	R9	T7-R9 PolarHBondContact O-N 3.48Å
8	P	32.3	Very low	32.1	Very low	120 Å²	120	149.4 Å²	149.4	78%	0.779	77%	0.771	S	S	*	*	S	Bend	trans	-82.8	81.1	179.1	33.9	-34.8	0	0	0	111.3
9	R	33.4	Very low	32	Very low	224 Å²	224	149.1 Å²	149.1	85%	0.845	77%	0.77	S	S	*	*	S	Bend	trans	-135.8	-3.1	169.8	-90.2	-164.6	172.8	-173.5	-3.1	117	T7	T7-R9 PolarHBondContact O-N 3.48Å
10	F	34.3	Very low	32	Very low	187 Å²	187	146.1 Å²	146.1	82%	0.82	77%	0.769	S	S	*	*	S	Bend	trans	-110.4	-9	178.3	-95.8	-85	0	0	0	115.7
11	V	36	Very low	31.9	Very low	99 Å²	99	142.9 Å²	142.9	60%	0.6	76%	0.763	S	S	*	*	S	Bend	trans	-80.4	-39.2	179.5	179.6	0	0	0	0	111.9	L13 L14 L15	V11-L13 VanDerWaalsContact C-N 3.31Å; V11-L13 PolarHBondContact O-N 3.31Å; V11-L14 PolarHBondContact O-N 3.19Å; V11-L15 HydrophobicContact CG1-CD1 3.94Å; V11-L15 PolarHBondContact O-N 3.14Å
12	S	33.6	Very low	32	Very low	81 Å²	81	143 Å²	143	57%	0.566	75%	0.751	S	S	*	*	H	α-helix	trans	-63.6	-31.7	-175.9	-52.4	0	0	0	0	113.9	L14 C16	S12-L14 VanDerWaalsContact C-N 3.35Å; S12-C16 WeakPolarHBondContact O-CB 3.24Å; S12-C16 PolarHBondContact O-N 3.07Å; S12-C16 PolarHBondContact O-SG 3.37Å
13	L	33.2	Very low	32.1	Very low	136 Å²	136	137.6 Å²	137.6	71%	0.712	74%	0.74	S	S	*	*	H	α-helix	trans	-77.1	-20.3	-177.9	-139.2	77.4	0	0	0	113.6	V11	V11-L13 VanDerWaalsContact C-N 3.31Å; V11-L13 PolarHBondContact O-N 3.31Å
14	L	32.5	Very low	32.4	Very low	129 Å²	129	131.8 Å²	131.8	68%	0.675	73%	0.725	S	S	*	*	H	α-helix	trans	-88.7	-37.8	174.3	-123.4	72	0	0	0	112.1	V11 S12 C16 L17	V11-L14 PolarHBondContact O-N 3.19Å; S12-L14 VanDerWaalsContact C-N 3.35Å; L14-C16 VanDerWaalsContact C-N 3.34Å; L14-C16 PolarHBondContact O-N 3.11Å; L14-L17 PolarHBondContact O-N 2.8Å
15	L	32.4	Very low	33.5	Very low	100 Å²	100	130.5 Å²	130.5	52%	0.524	72%	0.717	S	S	.	*	H	α-helix	trans	-67.3	-32.8	176.6	-93.7	68.4	0	0	0	112.8	V11 L17 V18 N19	V11-L15 HydrophobicContact CG1-CD1 3.94Å; V11-L15 PolarHBondContact O-N 3.14Å; L15-L17 PolarHBondContact O-N 3.33Å; L15-V18 PolarHBondContact O-N 3.42Å; L15-N19 PolarHBondContact O-N 2.83Å
16	C	31	Very low	34.3	Very low	100 Å²	100	123 Å²	123	68%	0.676	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-5.3	175.6	-69.9	0	0	0	0	114.8	S12 L14	S12-C16 WeakPolarHBondContact O-CB 3.24Å; S12-C16 PolarHBondContact O-N 3.07Å; S12-C16 PolarHBondContact O-SG 3.37Å; L14-C16 VanDerWaalsContact C-N 3.34Å; L14-C16 PolarHBondContact O-N 3.11Å
17	L	30.6	Very low	36	Very low	145 Å²	145	119.4 Å²	119.4	76%	0.759	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	1.2	174.3	-73.6	172.8	0	0	0	113.8	L14 L15	L14-L17 PolarHBondContact O-N 2.8Å; L15-L17 PolarHBondContact O-N 3.33Å
18	V	32.4	Very low	38	Very low	103 Å²	103	117.5 Å²	117.5	62%	0.624	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	-32.7	178.3	-176.8	0	0	0	0	111.8	L15 A20	L15-V18 PolarHBondContact O-N 3.42Å; V18-A20 PolarHBondContact O-N 2.96Å
19	N	30.3	Very low	40.3	Very low	143 Å²	143	115.4 Å²	115.4	77%	0.765	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	22	178.9	-73.5	11.3	0	0	0	114.7	L15	L15-N19 PolarHBondContact O-N 2.83Å
20	A	30.8	Very low	42.6	Very low	90 Å²	90	108.5 Å²	108.5	74%	0.744	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	6.5	174.3	0	0	0	0	0	113.1	V18	V18-A20 PolarHBondContact O-N 2.96Å
21	A	31.5	Very low	45	Very low	78 Å²	78	99.8 Å²	99.8	65%	0.645	59%	0.585	S	S	*	*			trans	-127.5	49.7	-167.5	0	0	0	0	0	113.3
22	L	31.5	Very low	47.2	Very low	180 Å²	180	99 Å²	99	94%	0.942	58%	0.579	S	S	*	*			trans	-139.9	36.2	171	-106.7	170.7	0	0	0	112.7
23	A	32.3	Very low	49.5	Very low	86 Å²	86	95.1 Å²	95.1	71%	0.711	55%	0.553	S	S	*	*	S	Bend	trans	-98.8	147.8	161.2	0	0	0	0	0	109.3	Q25	A23-Q25 PolarHBondContact O-N 2.64Å; A23-Q25 VanDerWaalsContact O-N 3.08Å
24	S	38.8	Very low	51.7	Low	78 Å²	78	92.8 Å²	92.8	55%	0.545	54%	0.544	S	S	.	.			trans	-65.1	107.9	179	42.5	0	0	0	0	111	F26	S24-F26 WeakPolarHBondContact O-CD2 3.35Å; S24-F26 PolarHBondContact O-N 3.47Å
25	Q	49	Very low	53.3	Low	151 Å²	151	89.1 Å²	89.1	71%	0.706	52%	0.521	S	S	*	.			trans	-73.8	102.8	178	-73.2	-172.3	-17.2	0	0	110.7	A23 I164	A23-Q25 PolarHBondContact O-N 2.64Å; A23-Q25 VanDerWaalsContact O-N 3.08Å; Q25-I164 PolarHBondContact O-N 3.17Å
26	F	50	Low	54.9	Low	82 Å²	82	88.1 Å²	88.1	36%	0.36	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	133.7	159.9	-68.3	-96.8	0	0	0	109.4	S24 R161 R162 R163	S24-F26 WeakPolarHBondContact O-CD2 3.35Å; S24-F26 PolarHBondContact O-N 3.47Å; F26-R161 HydrophobicContact CB-CB 4.46Å; F26-R161 HydrophobicContact CD1-CB 4.37Å; F26-R162 CarbonylContact C-O 3.57Å; F26-R162 WeakPolarHBondContact CA-O 3.26Å; F26-R163 HydrophobicContact CD1-CB 4Å; F26-R163 HydrophobicContact CE1-CB 3.81Å; F26-R163 HydrophobicContact CE1-CG 4.17Å; F26-R163 HydrophobicContact CZ-CG 4.44Å
27	E	67	Low	56.2	Low	73 Å²	73	86 Å²	86	34%	0.341	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	139.8	164.2	-155.5	-178.3	166	0	0	107.8	F59 R161 R162 I164	E27-F59 HydrophobicContact CB-CD1 4.27Å; E27-F59 HydrophobicContact CB-CE1 3.78Å; E27-F59 HydrophobicContact CG-CD1 3.85Å; E27-F59 HydrophobicContact CG-CE1 3.7Å; E27-F59 WeakPolarHBondContact O-CZ 3.42Å; E27-R161 CarbonylContact O-C 3.48Å; E27-R161 WeakPolarHBondContact O-CA 3.48Å; E27-R162 VanDerWaalsContact CD-NH2 3.34Å; E27-R162 PolarHBondContact N-O 3.3Å; E27-R162 PolarHBondContact O-N 2.77Å; E27-R162 IonicContact OE1-NH2 3.27Å; E27-R162 PolarHBondContact OE1-NH2 3.02Å; E27-R162 IonicContact OE2-CZ 3.17Å; E27-R162 VanDerWaalsContact OE2-CZ 3.28Å; E27-R162 IonicContact OE2-NE 3.15Å; E27-R162 PolarHBondContact OE2-NE 3.46Å; E27-R162 VanDerWaalsContact OE2-NE 3.15Å; E27-R162 IonicContact OE2-NH2 3Å; E27-R162 PolarHBondContact OE2-NH2 3.28Å; E27-I164 HydrophobicContact CB-CD1 4.3Å; E27-I164 HydrophobicContact CB-CG1 4.46Å
28	S	75.9	Confident	56.4	Low	82 Å²	82	81.1 Å²	81.1	57%	0.573	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	139.8	-178.7	59.9	0	0	0	0	112.4	I160	S28-I160 VanDerWaalsContact CA-O 3.29Å; S28-I160 WeakPolarHBondContact CA-O 3.18Å
29	E	80.5	Confident	56.7	Low	76 Å²	76	84.7 Å²	84.7	36%	0.355	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	138.1	-179.5	-164.8	170.1	141.1	0	0	110.4	A58 F59 I160	E29-A58 HydrophobicContact CB-CB 4.36Å; E29-F59 HydrophobicContact CB-CD1 4.43Å; E29-F59 HydrophobicContact CB-CE1 4.03Å; E29-F59 HydrophobicContact CB-CZ 4.26Å; E29-F59 WeakPolarHBondContact OE2-CA 3.47Å; E29-F59 PolarHBondContact OE2-N 3.28Å; E29-I160 PolarHBondContact N-O 3.08Å; E29-I160 PolarHBondContact O-N 2.82Å
30	D	81.9	Confident	56.8	Low	79 Å²	79	85.9 Å²	85.9	42%	0.422	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	122.2	175.1	-83.9	12.9	0	0	0	109.7	K144 L157 H158	D30-K144 IonicContact OD1-NZ 3.61Å; D30-K144 PolarHBondContact OD1-NZ 2.66Å; D30-K144 IonicContact OD2-NZ 2.91Å; D30-K144 PolarHBondContact OD2-NZ 3.39Å; D30-L157 HydrophobicContact CB-CD1 4.36Å; D30-H158 WeakPolarHBondContact CA-O 3.32Å
31	V	84.4	Confident	56.9	Low	5 Å²	5	85.3 Å²	85.3	3%	0.03	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.9	179.4	75.6	0	0	0	0	110.9	P33 L56 K57 I141 H158 I160	V31-P33 HydrophobicContact CG1-CG 4.36Å; V31-L56 HydrophobicContact CG1-CD2 4.3Å; V31-L56 HydrophobicContact CG2-CB 4.19Å; V31-L56 HydrophobicContact CG2-CD2 4.36Å; V31-K57 VanDerWaalsContact CG2-O 3.28Å; V31-K57 WeakPolarHBondContact CG2-O 3.41Å; V31-I141 HydrophobicContact CG1-CD1 4.42Å; V31-H158 HydrophobicContact CG1-CB 3.77Å; V31-H158 PolarHBondContact N-O 3.45Å; V31-H158 PolarHBondContact O-N 2.79Å; V31-H158 VanDerWaalsContact O-O 3.1Å; V31-I160 HydrophobicContact CB-CD1 4.19Å; V31-I160 HydrophobicContact CB-CG1 4.33Å; V31-I160 HydrophobicContact CG1-CD1 3.73Å; V31-I160 HydrophobicContact CG1-CG1 3.64Å; V31-I160 HydrophobicContact CG2-CD1 4.44Å
32	V	82.1	Confident	57	Low	81 Å²	81	84.5 Å²	84.5	49%	0.491	49%	0.485	S	S	.	.			trans	-109.9	111.2	159.4	-179	0	0	0	0	106.8	V34 E155 L157	V32-V34 PolarHBondContact O-N 2.84Å; V32-E155 WeakPolarHBondContact CG1-O 2.94Å; V32-L157 HydrophobicContact CG2-CD1 3.71Å
33	P	81.9	Confident	57.2	Low	1 Å²	1	87.4 Å²	87.4	1%	0.006	48%	0.483	C	S	.	.			trans	-65.3	128.2	175.2	-19.4	33.3	0	0	0	110.2	V31 F54 L56 I128 I141 E155 Q156 H158	V31-P33 HydrophobicContact CG1-CG 4.36Å; P33-F54 HydrophobicContact CB-CD1 4.19Å; P33-L56 HydrophobicContact CB-CD2 3.51Å; P33-L56 HydrophobicContact CG-CD2 3.57Å; P33-I128 HydrophobicContact CB-CD1 3.42Å; P33-I128 VanDerWaalsContact CB-CD1 3.42Å; P33-I128 HydrophobicContact CB-CG1 4.39Å; P33-I128 HydrophobicContact CG-CD1 3.67Å; P33-I128 HydrophobicContact CG-CG1 4.34Å; P33-I141 HydrophobicContact CG-CD1 4.18Å; P33-E155 WeakPolarHBondContact O-CA 3.3Å; P33-Q156 WeakPolarHBondContact CD-O 3.02Å; P33-H158 WeakPolarHBondContact CD-CE1 3.48Å; P33-H158 WeakPolarHBondContact CD-ND1 3.49Å; P33-H158 HydrophobicContact CG-CB 4.3Å; P33-H158 WeakPolarHBondContact CG-CE1 3.15Å; P33-H158 WeakPolarHBondContact CG-ND1 3.35Å
34	V	77.9	Confident	57.3	Low	87 Å²	87	93.1 Å²	93.1	53%	0.527	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.4	172.7	-178	0	0	0	0	107.5	V32 I36 F54 T55	V32-V34 PolarHBondContact O-N 2.84Å; V34-I36 PolarHBondContact O-N 3.09Å; V34-F54 WeakPolarHBondContact O-CA 3.39Å; V34-T55 PolarHBondContact N-O 2.83Å; V34-T55 VanDerWaalsContact N-O 3.12Å; V34-T55 PolarHBondContact O-N 3.44Å; V34-T55 VanDerWaalsContact O-N 3.11Å
35	R	67.4	Low	56.8	Low	52 Å²	52	99.3 Å²	99.3	20%	0.196	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	116.2	171.3	-173.9	-174.5	-97	-117.4	3.1	107.6	N37 F54 E155	R35-N37 PolarHBondContact O-N 3.26Å; R35-F54 HydrophobicContact CB-CD1 3.74Å; R35-F54 HydrophobicContact CB-CE1 3.53Å; R35-F54 HydrophobicContact CB-CZ 4.42Å; R35-F54 HydrophobicContact CG-CD1 4.17Å; R35-F54 HydrophobicContact CG-CE1 3.74Å; R35-F54 HydrophobicContact CG-CZ 4.14Å; R35-E155 HydrophobicContact CB-CG 3.63Å; R35-E155 WeakPolarHBondContact CB-OE1 3.17Å; R35-E155 PolarHBondContact N-OE1 2.91Å
36	I	65.3	Low	56	Low	78 Å²	78	100.3 Å²	100.3	40%	0.4	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-23.6	-175.4	-56.8	174.6	0	0	0	111.1	V34 I53	V34-I36 PolarHBondContact O-N 3.09Å; I36-I53 HydrophobicContact CD1-CG2 3.93Å; I36-I53 PolarHBondContact N-O 3.45Å
37	N	58.9	Low	55.4	Low	55 Å²	55	103.2 Å²	103.2	29%	0.294	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	47.4	-172.6	-63.6	-10.2	0	0	0	114.7	R35	R35-N37 PolarHBondContact O-N 3.26Å
38	S	35.5	Very low	54	Low	44 Å²	44	103.6 Å²	103.6	31%	0.308	53%	0.525	S	S	.	.			trans	-160.4	137.8	166.6	92	0	0	0	0	110.3	E155	S38-E155 PolarHBondContact OG-OE2 2.96Å
39	R	37.5	Very low	52.5	Low	177 Å²	177	106.4 Å²	106.4	67%	0.668	53%	0.529	S	S	*	.			cis	-147.8	-174.8	17.9	-55.5	169.2	-152.5	-153.4	3.8	107	S153 E155	R39-S153 PolarHBondContact NH2-OG 2.87Å; R39-E155 IonicContact CZ-OE2 3.28Å; R39-E155 IonicContact NE-OE2 2.66Å; R39-E155 IonicContact NH2-OE2 3.74Å; R39-E155 PolarHBondContact NH2-OE2 3.18Å
40	I	32.8	Very low	51	Low	169 Å²	169	107.7 Å²	107.7	87%	0.867	54%	0.535	S	S	*	.			cis	-153.9	143.5	17.8	-42.6	159.4	0	0	0	110
41	G	33.3	Very low	49.9	Very low	78 Å²	78	108.1 Å²	108.1	80%	0.804	54%	0.538	S	S	*	.			trans	88	75.7	135.3	0	0	0	0	0	121.3
42	G	34	Very low	49	Very low	61 Å²	61	108 Å²	108	63%	0.629	54%	0.536	S	S	*	.			trans	-175.2	67	170.2	0	0	0	0	0	118.9	F44	G42-F44 PolarHBondContact O-N 2.88Å
43	R	33.8	Very low	48.5	Very low	240 Å²	240	106.6 Å²	106.6	91%	0.906	53%	0.526	S	S	*	.	S	Bend	trans	55.5	-14.1	165.8	-77	-174.4	173.9	178.6	-1.1	120.7	W45	R43-W45 PolarHBondContact O-N 2.99Å
44	F	34.4	Very low	48.3	Very low	207 Å²	207	106.5 Å²	106.5	91%	0.908	53%	0.525	S	S	*	.			trans	-94.7	68	176.2	-86.4	-86.9	0	0	0	113.2	G42 K46	G42-F44 PolarHBondContact O-N 2.88Å; F44-K46 PolarHBondContact O-N 3.3Å
45	W	30.2	Very low	48.5	Very low	208 Å²	208	103.8 Å²	103.8	79%	0.788	51%	0.509	S	S	*	.			trans	-84.3	102.8	178.6	-68.8	83.2	0	0	0	112.2	R43	R43-W45 PolarHBondContact O-N 2.99Å
46	K	32.2	Very low	49.3	Very low	172 Å²	172	101.3 Å²	101.3	75%	0.748	50%	0.5	S	S	*	.	S	Bend	trans	-175.4	-53	145.1	-107.4	170.3	-179.5	-174.9	0	115.7	F44 S48	F44-K46 PolarHBondContact O-N 3.3Å; K46-S48 VanDerWaalsContact C-N 3.35Å; K46-S48 PolarHBondContact O-N 2.76Å
47	R	35.5	Very low	50.1	Low	142 Å²	142	104.2 Å²	104.2	54%	0.536	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-68.6	-21.9	-166.1	-113.1	179.6	176.1	-174	-4.4	115.7	E49 E50 E426	R47-E49 VanDerWaalsContact C-N 3.29Å; R47-E49 PolarHBondContact O-N 3.27Å; R47-E50 WeakPolarHBondContact CG-OE2 3.4Å; R47-E50 PolarHBondContact O-N 3.26Å; R47-E426 IonicContact NH2-OE2 2.75Å; R47-E426 PolarHBondContact NH2-OE2 2.02Å
48	S	38	Very low	51.1	Low	82 Å²	82	101.7 Å²	101.7	57%	0.573	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-76.6	-10.1	-175.8	-161	0	0	0	0	114.7	K46	K46-S48 VanDerWaalsContact C-N 3.35Å; K46-S48 PolarHBondContact O-N 2.76Å
49	E	44.2	Very low	53.2	Low	141 Å²	141	100.5 Å²	100.5	66%	0.659	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-88.3	-11.9	177.5	-64.3	-175.5	146.2	0	0	112.9	R47	R47-E49 VanDerWaalsContact C-N 3.29Å; R47-E49 PolarHBondContact O-N 3.27Å
50	E	50	Low	54.9	Low	103 Å²	103	96.1 Å²	96.1	48%	0.481	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-50.9	-164.4	-64.7	177.6	148.5	0	0	113.4	R47 P52 P69 F108	R47-E50 WeakPolarHBondContact CG-OE2 3.4Å; R47-E50 PolarHBondContact O-N 3.26Å; E50-P52 WeakPolarHBondContact O-CD 3.48Å; E50-P69 WeakPolarHBondContact O-CD 3.28Å; E50-P69 WeakPolarHBondContact O-CG 3.43Å; E50-F108 WeakPolarHBondContact O-CE1 3.5Å
51	N	59	Low	56.9	Low	88 Å²	88	92 Å²	92	47%	0.471	47%	0.468	S	S	.	.	S	Bend	trans	-121.3	92.2	179.5	-69.8	-1.9	0	0	0	111.8	L67 P69	N51-L67 WeakPolarHBondContact CA-O 3.41Å; N51-P69 VanDerWaalsContact OD1-CD 3.24Å; N51-P69 WeakPolarHBondContact OD1-CD 3.34Å
52	P	64.8	Low	59	Low	1 Å²	1	93.7 Å²	93.7	1%	0.006	46%	0.459	C	S	.	.			trans	-83	150.5	-178.5	30	-30.6	0	0	0	113.3	E50 F54 L67 F108 L124	E50-P52 WeakPolarHBondContact O-CD 3.48Å; P52-F54 HydrophobicContact CB-CE2 3.91Å; P52-F54 HydrophobicContact CB-CZ 4.46Å; P52-F54 HydrophobicContact CG-CE2 4.34Å; P52-L67 HydrophobicContact CG-CB 4.05Å; P52-L67 HydrophobicContact CG-CD1 4.28Å; P52-L67 VanDerWaalsContact O-CB 3.25Å; P52-L67 WeakPolarHBondContact O-CB 3.23Å; P52-L67 PolarHBondContact O-N 3.37Å; P52-L67 VanDerWaalsContact O-N 3.17Å; P52-F108 HydrophobicContact CG-CD1 3.96Å; P52-F108 HydrophobicContact CG-CE1 3.68Å; P52-F108 HydrophobicContact CG-CZ 4.12Å; P52-L124 HydrophobicContact CB-CD1 4.12Å; P52-L124 HydrophobicContact CG-CD1 3.34Å
53	I	72.9	Confident	61.1	Low	52 Å²	52	91.2 Å²	91.2	27%	0.267	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.9	176.6	-56.5	178.6	0	0	0	109.3	I36 T64 L65	I36-I53 HydrophobicContact CD1-CG2 3.93Å; I36-I53 PolarHBondContact N-O 3.45Å; I53-T64 HydrophobicContact CG2-CG2 3.62Å; I53-L65 WeakPolarHBondContact CA-O 3.4Å
54	F	76.6	Confident	63.4	Low	0 Å²	0	81.4 Å²	81.4	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129	179.3	-61.4	-90.8	0	0	0	111.6	P33 V34 R35 P52 T64 L65 L67 L124 I128 A154	P33-F54 HydrophobicContact CB-CD1 4.19Å; V34-F54 WeakPolarHBondContact O-CA 3.39Å; R35-F54 HydrophobicContact CB-CD1 3.74Å; R35-F54 HydrophobicContact CB-CE1 3.53Å; R35-F54 HydrophobicContact CB-CZ 4.42Å; R35-F54 HydrophobicContact CG-CD1 4.17Å; R35-F54 HydrophobicContact CG-CE1 3.74Å; R35-F54 HydrophobicContact CG-CZ 4.14Å; P52-F54 HydrophobicContact CB-CE2 3.91Å; P52-F54 HydrophobicContact CB-CZ 4.46Å; P52-F54 HydrophobicContact CG-CE2 4.34Å; F54-T64 CarbonylContact O-C 3.58Å; F54-T64 WeakPolarHBondContact O-CA 3.39Å; F54-L65 PolarHBondContact N-O 3.44Å; F54-L65 VanDerWaalsContact N-O 3.1Å; F54-L65 PolarHBondContact O-N 3.45Å; F54-L67 HydrophobicContact CD2-CD1 3.72Å; F54-L67 HydrophobicContact CE2-CD1 3.78Å; F54-L124 HydrophobicContact CD2-CD2 4.44Å; F54-L124 HydrophobicContact CE2-CD1 3.7Å; F54-L124 HydrophobicContact CE2-CD2 3.55Å; F54-L124 HydrophobicContact CE2-CG 4.32Å; F54-L124 HydrophobicContact CZ-CD1 4.12Å; F54-L124 HydrophobicContact CZ-CD2 3.86Å; F54-I128 HydrophobicContact CB-CD1 3.74Å; F54-I128 HydrophobicContact CD1-CD1 3.52Å; F54-I128 HydrophobicContact CD1-CG1 4.25Å; F54-I128 HydrophobicContact CD2-CD1 3.86Å; F54-I128 HydrophobicContact CD2-CG1 4.47Å; F54-I128 HydrophobicContact CE1-CD1 3.94Å; F54-I128 HydrophobicContact CE1-CG1 4.16Å; F54-I128 HydrophobicContact CE2-CD1 4.27Å; F54-I128 HydrophobicContact CE2-CG1 4.41Å; F54-I128 HydrophobicContact CG-CD1 3.44Å; F54-I128 VanDerWaalsContact CG-CD1 3.44Å; F54-I128 HydrophobicContact CG-CG1 4.37Å; F54-I128 HydrophobicContact CZ-CD1 4.29Å; F54-I128 HydrophobicContact CZ-CG1 4.24Å; F54-A154 HydrophobicContact CE1-CB 3.42Å; F54-A154 VanDerWaalsContact CE1-CB 3.42Å; F54-A154 HydrophobicContact CZ-CB 3.44Å; F54-A154 VanDerWaalsContact CZ-CB 3.44Å
55	T	82.1	Confident	65	Low	29 Å²	29	71.6 Å²	71.6	18%	0.178	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.5	167.5	-64.3	0	0	0	0	110.8	V34 N62 T64	V34-T55 PolarHBondContact N-O 2.83Å; V34-T55 VanDerWaalsContact N-O 3.12Å; V34-T55 PolarHBondContact O-N 3.44Å; V34-T55 VanDerWaalsContact O-N 3.11Å; T55-N62 HydrophobicContact CG2-CB 4.29Å; T55-T64 PolarHBondContact OG1-OG1 2.86Å
56	L	84.9	Confident	66.7	Low	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.8	178.5	-53	170.3	0	0	0	108.2	V31 P33 N62 L63 L65 I128 F132 I141 I160	V31-L56 HydrophobicContact CG1-CD2 4.3Å; V31-L56 HydrophobicContact CG2-CB 4.19Å; V31-L56 HydrophobicContact CG2-CD2 4.36Å; P33-L56 HydrophobicContact CB-CD2 3.51Å; P33-L56 HydrophobicContact CG-CD2 3.57Å; L56-N62 CarbonylContact O-C 3.6Å; L56-N62 WeakPolarHBondContact O-CA 3.25Å; L56-L63 HydrophobicContact CB-CB 4.26Å; L56-L63 VanDerWaalsContact CB-O 3.31Å; L56-L63 WeakPolarHBondContact CB-O 3.44Å; L56-L63 PolarHBondContact N-O 3Å; L56-L63 PolarHBondContact O-N 3.29Å; L56-L65 HydrophobicContact CD1-CD1 3.78Å; L56-L65 HydrophobicContact CD1-CD2 4.22Å; L56-L65 HydrophobicContact CD1-CG 3.81Å; L56-I128 HydrophobicContact CD2-CD1 4.3Å; L56-F132 HydrophobicContact CD1-CE1 3.52Å; L56-F132 HydrophobicContact CD1-CZ 3.66Å; L56-I141 HydrophobicContact CD1-CD1 3.82Å; L56-I141 HydrophobicContact CD2-CD1 3.5Å; L56-I141 HydrophobicContact CG-CD1 4.31Å; L56-I160 HydrophobicContact CB-CD1 3.77Å; L56-I160 HydrophobicContact CD1-CD1 3.8Å; L56-I160 HydrophobicContact CD2-CD1 4.31Å; L56-I160 HydrophobicContact CG-CD1 4.16Å
57	K	82.1	Confident	67.9	Low	140 Å²	140	55.6 Å²	55.6	61%	0.609	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	109.2	172	-62.1	-168.2	177.1	175.8	0	108.5	V31 R61	V31-K57 VanDerWaalsContact CG2-O 3.28Å; V31-K57 WeakPolarHBondContact CG2-O 3.41Å; K57-R61 WeakPolarHBondContact CA-O 3.09Å
58	A	79.4	Confident	69.1	Low	1 Å²	1	52.4 Å²	52.4	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	147.3	179.6	0	0	0	0	0	111.5	E29 G60 R61 L63 I160	E29-A58 HydrophobicContact CB-CB 4.36Å; A58-G60 VanDerWaalsContact C-N 3.26Å; A58-G60 PolarHBondContact O-N 2.68Å; A58-R61 PolarHBondContact N-O 3.01Å; A58-R61 PolarHBondContact O-N 2.77Å; A58-L63 HydrophobicContact CB-CD1 4.48Å; A58-I160 HydrophobicContact CB-CB 4.31Å; A58-I160 HydrophobicContact CB-CD1 3.94Å
59	F	79.3	Confident	70.1	Confident	20 Å²	20	50.6 Å²	50.6	9%	0.088	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	39.8	177.7	-45.1	-70.8	0	0	0	113.8	E27 E29 R61 Y139 I160 R162	E27-F59 HydrophobicContact CB-CD1 4.27Å; E27-F59 HydrophobicContact CB-CE1 3.78Å; E27-F59 HydrophobicContact CG-CD1 3.85Å; E27-F59 HydrophobicContact CG-CE1 3.7Å; E27-F59 WeakPolarHBondContact O-CZ 3.42Å; E29-F59 HydrophobicContact CB-CD1 4.43Å; E29-F59 HydrophobicContact CB-CE1 4.03Å; E29-F59 HydrophobicContact CB-CZ 4.26Å; E29-F59 WeakPolarHBondContact OE2-CA 3.47Å; E29-F59 PolarHBondContact OE2-N 3.28Å; F59-R61 VanDerWaalsContact C-N 3.26Å; F59-R61 PolarHBondContact O-N 2.92Å; F59-Y139 HydrophobicContact CD2-CD1 4.19Å; F59-Y139 AromaticContact CD2-CE1 3.9Å; F59-Y139 HydrophobicContact CD2-CE1 3.9Å; F59-Y139 HydrophobicContact CE2-CD1 4.11Å; F59-Y139 HydrophobicContact CE2-CE1 4.27Å; F59-I160 HydrophobicContact CE2-CB 4.25Å; F59-I160 HydrophobicContact CE2-CG2 3.75Å; F59-I160 HydrophobicContact CZ-CG2 4.44Å; F59-I160 WeakPolarHBondContact CZ-O 3.32Å; F59-R162 VanDerWaalsContact CB-CZ 3.42Å; F59-R162 VanDerWaalsContact CB-NH1 3.27Å; F59-R162 HydrophobicContact CD2-CB 4Å; F59-R162 HydrophobicContact CE1-CB 4.18Å; F59-R162 HydrophobicContact CE2-CB 3.52Å; F59-R162 HydrophobicContact CG-CB 4.49Å; F59-R162 HydrophobicContact CZ-CB 3.63Å
60	G	73	Confident	70.9	Confident	84 Å²	84	44.5 Å²	44.5	87%	0.866	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.2	15	-177.2	0	0	0	0	0	114.9	A58	A58-G60 VanDerWaalsContact C-N 3.26Å; A58-G60 PolarHBondContact O-N 2.68Å
61	R	75.2	Confident	71.6	Confident	82 Å²	82	42.2 Å²	42.2	31%	0.309	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	153.8	-176.4	-67.5	177.3	166.1	-160.6	-11.8	112.1	K57 A58 F59 L63 E135	K57-R61 WeakPolarHBondContact CA-O 3.09Å; A58-R61 PolarHBondContact N-O 3.01Å; A58-R61 PolarHBondContact O-N 2.77Å; F59-R61 VanDerWaalsContact C-N 3.26Å; F59-R61 PolarHBondContact O-N 2.92Å; R61-L63 HydrophobicContact CB-CG 4.39Å; R61-E135 IonicContact CZ-OE1 2.69Å; R61-E135 IonicContact CZ-OE2 2.71Å; R61-E135 IonicContact NH1-OE1 2.76Å; R61-E135 PolarHBondContact NH1-OE1 3.45Å; R61-E135 VanDerWaalsContact NH1-OE1 3.1Å; R61-E135 IonicContact NH1-OE2 2.85Å; R61-E135 PolarHBondContact NH1-OE2 2.91Å; R61-E135 IonicContact NH2-OE1 3.97Å; R61-E135 PolarHBondContact NH2-OE1 2.93Å; R61-E135 IonicContact NH2-OE2 2.7Å; R61-E135 PolarHBondContact NH2-OE2 3.06Å
62	N	78	Confident	72	Confident	115 Å²	115	40 Å²	40	62%	0.615	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.1	164.4	-62.7	-28.8	0	0	0	107.8	T55 L56	T55-N62 HydrophobicContact CG2-CB 4.29Å; L56-N62 CarbonylContact O-C 3.6Å; L56-N62 WeakPolarHBondContact O-CA 3.25Å
63	L	78.6	Confident	72.3	Confident	8 Å²	8	40 Å²	40	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	108.7	179	-59.3	158.9	0	0	0	106.7	L56 A58 R61 V112 F132 Y139	L56-L63 HydrophobicContact CB-CB 4.26Å; L56-L63 VanDerWaalsContact CB-O 3.31Å; L56-L63 WeakPolarHBondContact CB-O 3.44Å; L56-L63 PolarHBondContact N-O 3Å; L56-L63 PolarHBondContact O-N 3.29Å; A58-L63 HydrophobicContact CB-CD1 4.48Å; R61-L63 HydrophobicContact CB-CG 4.39Å; L63-V112 HydrophobicContact CB-CG1 4.46Å; L63-V112 HydrophobicContact CD2-CG1 4.4Å; L63-F132 HydrophobicContact CB-CE2 3.92Å; L63-F132 HydrophobicContact CB-CZ 4.14Å; L63-F132 HydrophobicContact CD1-CE2 3.89Å; L63-F132 HydrophobicContact CD1-CZ 3.99Å; L63-F132 HydrophobicContact CD2-CE2 4.25Å; L63-F132 HydrophobicContact CG-CE2 4.22Å; L63-Y139 HydrophobicContact CD1-CD1 3.77Å; L63-Y139 HydrophobicContact CD1-CE1 3.56Å; L63-Y139 HydrophobicContact CD1-CG 4.47Å; L63-Y139 HydrophobicContact CD2-CE1 4.39Å; L63-Y139 HydrophobicContact CD2-CE2 4.5Å
64	T	80.8	Confident	72.5	Confident	35 Å²	35	38 Å²	38	22%	0.215	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	115.4	-175.8	-60.6	0	0	0	0	109.6	I53 F54 T55 V112 G113	I53-T64 HydrophobicContact CG2-CG2 3.62Å; F54-T64 CarbonylContact O-C 3.58Å; F54-T64 WeakPolarHBondContact O-CA 3.39Å; T55-T64 PolarHBondContact OG1-OG1 2.86Å; T64-V112 CarbonylContact O-C 3.51Å; T64-V112 VanDerWaalsContact O-CA 3.24Å; T64-V112 WeakPolarHBondContact O-CA 3.35Å; T64-G113 PolarHBondContact O-N 3.07Å
65	L	68.1	Low	72.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	118.3	176.3	-50.3	-172.6	0	0	0	109.6	I53 F54 L56 L67 V112 V120 V122 I128 F132	I53-L65 WeakPolarHBondContact CA-O 3.4Å; F54-L65 PolarHBondContact N-O 3.44Å; F54-L65 VanDerWaalsContact N-O 3.1Å; F54-L65 PolarHBondContact O-N 3.45Å; L56-L65 HydrophobicContact CD1-CD1 3.78Å; L56-L65 HydrophobicContact CD1-CD2 4.22Å; L56-L65 HydrophobicContact CD1-CG 3.81Å; L65-L67 HydrophobicContact CB-CD2 4.18Å; L65-L67 HydrophobicContact CB-CG 4.29Å; L65-V112 HydrophobicContact CD2-CG2 4Å; L65-V120 HydrophobicContact CB-CG1 4.44Å; L65-V120 HydrophobicContact CD1-CG1 4.17Å; L65-V120 HydrophobicContact CD2-CG1 4.27Å; L65-V120 HydrophobicContact CD2-CG2 4.02Å; L65-V122 HydrophobicContact CD1-CG1 4.34Å; L65-I128 HydrophobicContact CD1-CG2 4.43Å; L65-F132 HydrophobicContact CD1-CD1 3.96Å; L65-F132 HydrophobicContact CD1-CE1 4.22Å; L65-F132 HydrophobicContact CD2-CB 3.94Å; L65-F132 HydrophobicContact CD2-CD1 3.54Å; L65-F132 HydrophobicContact CD2-CD2 3.87Å; L65-F132 HydrophobicContact CD2-CE1 3.92Å; L65-F132 HydrophobicContact CD2-CE2 4.2Å; L65-F132 HydrophobicContact CD2-CG 3.51Å; L65-F132 HydrophobicContact CD2-CZ 4.22Å; L65-F132 HydrophobicContact CG-CD1 4.37Å
66	N	66.2	Low	71.7	Confident	40 Å²	40	39.3 Å²	39.3	21%	0.214	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.3	168.8	-45.3	-45.1	0	0	0	107.5	G110 N111 G113	N66-G110 WeakPolarHBondContact O-CA 3.35Å; N66-N111 WeakPolarHBondContact CB-OD1 2.98Å; N66-N111 PolarHBondContact N-O 3.34Å; N66-N111 PolarHBondContact ND2-OD1 3.47Å; N66-N111 PolarHBondContact O-N 3.28Å; N66-G113 PolarHBondContact ND2-O 2.66Å
67	L	58	Low	70.9	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.4	-168.7	-58.2	176.7	0	0	0	112.4	N51 P52 F54 L65 F108 S109 V120 V122 L124	N51-L67 WeakPolarHBondContact CA-O 3.41Å; P52-L67 HydrophobicContact CG-CB 4.05Å; P52-L67 HydrophobicContact CG-CD1 4.28Å; P52-L67 VanDerWaalsContact O-CB 3.25Å; P52-L67 WeakPolarHBondContact O-CB 3.23Å; P52-L67 PolarHBondContact O-N 3.37Å; P52-L67 VanDerWaalsContact O-N 3.17Å; F54-L67 HydrophobicContact CD2-CD1 3.72Å; F54-L67 HydrophobicContact CE2-CD1 3.78Å; L65-L67 HydrophobicContact CB-CD2 4.18Å; L65-L67 HydrophobicContact CB-CG 4.29Å; L67-F108 HydrophobicContact CB-CB 3.79Å; L67-F108 HydrophobicContact CB-CD1 4.03Å; L67-F108 HydrophobicContact CB-CG 4.15Å; L67-F108 HydrophobicContact CD1-CB 4.46Å; L67-F108 HydrophobicContact CD2-CB 4.24Å; L67-F108 HydrophobicContact CG-CB 4.39Å; L67-S109 WeakPolarHBondContact CA-O 3.43Å; L67-V120 HydrophobicContact CD2-CB 4.3Å; L67-V120 HydrophobicContact CD2-CG1 3.51Å; L67-V122 HydrophobicContact CD1-CG2 3.61Å; L67-V122 HydrophobicContact CD2-CG2 3.58Å; L67-V122 HydrophobicContact CG-CG2 4.26Å; L67-L124 HydrophobicContact CD1-CD1 3.95Å; L67-L124 HydrophobicContact CD1-CD2 4.05Å; L67-L124 HydrophobicContact CD1-CG 4.35Å
68	I	59.6	Low	70.7	Confident	75 Å²	75	35.3 Å²	35.3	39%	0.385	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.1	178.6	-55.8	175.5	0	0	0	107.9	D70 F108 S109 L423	I68-D70 PolarHBondContact O-N 2.79Å; I68-F108 CarbonylContact O-C 3.59Å; I68-F108 WeakPolarHBondContact O-CA 3.22Å; I68-F108 WeakPolarHBondContact O-CB 3.31Å; I68-S109 PolarHBondContact N-O 2.97Å; I68-S109 PolarHBondContact O-N 2.82Å; I68-L423 HydrophobicContact CG2-CD2 4.38Å
69	P	59.8	Low	70.5	Confident	43 Å²	43	37.2 Å²	37.2	28%	0.279	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	127.3	179.5	-21.6	31.7	0	0	0	111.8	E50 N51 F108	E50-P69 WeakPolarHBondContact O-CD 3.28Å; E50-P69 WeakPolarHBondContact O-CG 3.43Å; N51-P69 VanDerWaalsContact OD1-CD 3.24Å; N51-P69 WeakPolarHBondContact OD1-CD 3.34Å; P69-F108 HydrophobicContact CB-CD1 4.46Å; P69-F108 HydrophobicContact CB-CE1 4.34Å; P69-F108 HydrophobicContact CG-CD1 4.12Å; P69-F108 HydrophobicContact CG-CE1 3.77Å
70	D	60.8	Low	70.4	Confident	14 Å²	14	38.1 Å²	38.1	8%	0.075	24%	0.235	C	C	.	.			trans	-120.8	115.7	171.5	-167.5	-3.7	0	0	0	110.5	I68 S72 F73 F107	I68-D70 PolarHBondContact O-N 2.79Å; D70-S72 WeakPolarHBondContact OD1-CB 2.99Å; D70-S72 PolarHBondContact OD1-N 3.42Å; D70-S72 PolarHBondContact OD1-OG 3.33Å; D70-F73 WeakPolarHBondContact O-CE1 3.11Å; D70-F107 PolarHBondContact N-O 3.43Å
71	T	65.1	Low	70.8	Confident	54 Å²	54	37.5 Å²	37.5	33%	0.331	21%	0.209	S	C	.	.			trans	-122.1	4.3	171.3	55.7	0	0	0	0	112.1	F73 L74 R104	T71-F73 PolarHBondContact O-N 3.43Å; T71-F73 VanDerWaalsContact O-N 3.1Å; T71-L74 PolarHBondContact O-N 3.01Å; T71-L74 VanDerWaalsContact O-N 3.09Å; T71-R104 HydrophobicContact CG2-CB 4.29Å; T71-R104 WeakPolarHBondContact CG2-O 3.34Å
72	S	65.9	Low	71.1	Confident	42 Å²	42	35.5 Å²	35.5	29%	0.294	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-10.6	-171.7	67.9	0	0	0	0	113.8	D70 K244	D70-S72 WeakPolarHBondContact OD1-CB 2.99Å; D70-S72 PolarHBondContact OD1-N 3.42Å; D70-S72 PolarHBondContact OD1-OG 3.33Å; S72-K244 PolarHBondContact OG-NZ 3.45Å
73	F	72.8	Confident	71.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	3.2	176.9	74.6	-83	0	0	0	113.9	D70 T71 F107 L233 M236 A240 I254 V255 V256	D70-F73 WeakPolarHBondContact O-CE1 3.11Å; T71-F73 PolarHBondContact O-N 3.43Å; T71-F73 VanDerWaalsContact O-N 3.1Å; F73-F107 HydrophobicContact CE1-CB 4.47Å; F73-F107 HydrophobicContact CZ-CB 4.47Å; F73-F107 HydrophobicContact CZ-CG 4.4Å; F73-L233 HydrophobicContact CE2-CB 4.4Å; F73-L233 VanDerWaalsContact CE2-O 3.26Å; F73-L233 WeakPolarHBondContact CE2-O 3.45Å; F73-L233 VanDerWaalsContact CZ-O 3.31Å; F73-L233 WeakPolarHBondContact CZ-O 3.29Å; F73-M236 HydrophobicContact CD2-CB 4.15Å; F73-M236 HydrophobicContact CE2-CB 4.18Å; F73-A240 HydrophobicContact CB-CB 3.57Å; F73-A240 HydrophobicContact CG-CB 4.4Å; F73-I254 WeakPolarHBondContact CA-O 3.1Å; F73-V255 CarbonylContact O-C 3.51Å; F73-V255 WeakPolarHBondContact O-CA 3.4Å; F73-V256 HydrophobicContact CD2-CG2 4.09Å; F73-V256 PolarHBondContact O-N 3.02Å
74	L	76.1	Confident	71.3	Confident	10 Å²	10	32.1 Å²	32.1	5%	0.052	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.7	179	-61.7	179.7	0	0	0	110.8	T71 F78 R104 L233 V256	T71-L74 PolarHBondContact O-N 3.01Å; T71-L74 VanDerWaalsContact O-N 3.09Å; L74-F78 HydrophobicContact CB-CB 4.48Å; L74-F78 HydrophobicContact CD2-CD1 4.38Å; L74-F78 HydrophobicContact CD2-CD2 4.39Å; L74-F78 HydrophobicContact CD2-CE1 4.47Å; L74-F78 HydrophobicContact CD2-CE2 4.48Å; L74-F78 HydrophobicContact CD2-CG 4.34Å; L74-R104 HydrophobicContact CD1-CG 4.02Å; L74-L233 HydrophobicContact CD2-CD2 4.03Å; L74-V256 HydrophobicContact CD2-CB 4.17Å
75	S	77	Confident	70.2	Confident	6 Å²	6	32.9 Å²	32.9	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	144.1	173.3	174.3	0	0	0	0	111.6	A77 F78 R104 V256	S75-A77 PolarHBondContact O-N 3.34Å; S75-A77 PolarHBondContact OG-N 2.72Å; S75-A77 VanDerWaalsContact OG-N 3.13Å; S75-F78 WeakPolarHBondContact O-CB 3.26Å; S75-F78 PolarHBondContact O-N 3.18Å; S75-R104 PolarHBondContact O-NH1 2.82Å; S75-R104 PolarHBondContact O-NH2 2.91Å; S75-V256 WeakPolarHBondContact CB-O 3.48Å; S75-V256 PolarHBondContact N-O 3.14Å
76	P	65.4	Low	69.3	Low	51 Å²	51	35.9 Å²	35.9	33%	0.331	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	-36.2	166.6	-28.2	36.8	0	0	0	112.7	R104 E418 S419	P76-R104 VanDerWaalsContact O-CZ 3.32Å; P76-R104 PolarHBondContact O-NH1 2.84Å; P76-R104 PolarHBondContact O-NH2 3.07Å; P76-E418 HydrophobicContact CG-CB 4.38Å; P76-E418 WeakPolarHBondContact CG-O 3.38Å; P76-S419 WeakPolarHBondContact CG-O 3.32Å
77	A	67.6	Low	68.3	Low	46 Å²	46	42.1 Å²	42.1	38%	0.38	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	8.5	177.4	0	0	0	0	0	114.4	S75 N79 P297	S75-A77 PolarHBondContact O-N 3.34Å; S75-A77 PolarHBondContact OG-N 2.72Å; S75-A77 VanDerWaalsContact OG-N 3.13Å; A77-N79 PolarHBondContact O-N 3.19Å; A77-P297 HydrophobicContact CB-CB 3.63Å
78	F	77.9	Confident	67.4	Low	10 Å²	10	48.3 Å²	48.3	4%	0.044	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	125.9	-174	172.4	-101.7	0	0	0	114.1	L74 S75 I80 R104 L233 V256 V257 M259	L74-F78 HydrophobicContact CB-CB 4.48Å; L74-F78 HydrophobicContact CD2-CD1 4.38Å; L74-F78 HydrophobicContact CD2-CD2 4.39Å; L74-F78 HydrophobicContact CD2-CE1 4.47Å; L74-F78 HydrophobicContact CD2-CE2 4.48Å; L74-F78 HydrophobicContact CD2-CG 4.34Å; S75-F78 WeakPolarHBondContact O-CB 3.26Å; S75-F78 PolarHBondContact O-N 3.18Å; F78-I80 HydrophobicContact CE1-CD1 3.89Å; F78-I80 HydrophobicContact CE1-CG1 3.59Å; F78-I80 HydrophobicContact CZ-CD1 3.94Å; F78-I80 HydrophobicContact CZ-CG1 3.51Å; F78-R104 VanDerWaalsContact N-NH2 3.16Å; F78-R104 PolarHBondContact O-NH2 3.49Å; F78-L233 HydrophobicContact CE1-CD1 3.93Å; F78-L233 HydrophobicContact CE2-CD2 4.17Å; F78-L233 HydrophobicContact CZ-CD1 3.75Å; F78-L233 HydrophobicContact CZ-CD2 3.82Å; F78-L233 HydrophobicContact CZ-CG 4.4Å; F78-V256 HydrophobicContact CD2-CB 4.47Å; F78-V256 HydrophobicContact CD2-CG1 4.02Å; F78-V256 WeakPolarHBondContact CD2-O 3.34Å; F78-V256 HydrophobicContact CE2-CB 4.46Å; F78-V256 HydrophobicContact CE2-CG1 3.66Å; F78-V257 WeakPolarHBondContact CA-O 3.09Å; F78-M259 HydrophobicContact CE2-CB 4.01Å; F78-M259 HydrophobicContact CZ-CB 3.98Å
79	N	75.1	Confident	66.3	Low	41 Å²	41	49.2 Å²	49.2	22%	0.219	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.4	-172.9	-178.9	6.7	0	0	0	110.9	A77 K258 M259 E298	A77-N79 PolarHBondContact O-N 3.19Å; N79-K258 WeakPolarHBondContact O-CA 3.42Å; N79-M259 PolarHBondContact O-N 2.84Å; N79-E298 PolarHBondContact ND2-OE1 3.49Å
80	I	77.8	Confident	64.9	Low	40 Å²	40	51.2 Å²	51.2	21%	0.205	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.5	173.6	-51.7	-172.8	0	0	0	109.4	F78 L103 K229 L233 M259 V261	F78-I80 HydrophobicContact CE1-CD1 3.89Å; F78-I80 HydrophobicContact CE1-CG1 3.59Å; F78-I80 HydrophobicContact CZ-CD1 3.94Å; F78-I80 HydrophobicContact CZ-CG1 3.51Å; I80-L103 HydrophobicContact CD1-CD1 3.95Å; I80-L103 HydrophobicContact CD1-CD2 4.44Å; I80-K229 HydrophobicContact CD1-CB 4.33Å; I80-K229 HydrophobicContact CD1-CG 4.3Å; I80-K229 HydrophobicContact CG2-CD 4.41Å; I80-K229 HydrophobicContact CG2-CG 4.24Å; I80-L233 HydrophobicContact CD1-CD1 4.41Å; I80-M259 WeakPolarHBondContact CA-O 3.27Å; I80-M259 HydrophobicContact CB-CB 4.5Å; I80-M259 HydrophobicContact CD1-SD 4.44Å; I80-M259 HydrophobicContact CG1-CB 4.17Å; I80-M259 HydrophobicContact CG2-CB 4.23Å; I80-M259 HydrophobicContact CG2-CG 4.43Å; I80-M259 HydrophobicContact CG2-SD 4.4Å; I80-V261 HydrophobicContact CG2-CG2 4.07Å
81	Q	81.4	Confident	63.9	Low	70 Å²	70	59.7 Å²	59.7	33%	0.327	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.5	-176.7	167.9	179.4	0.9	0	0	111.5	M259 L260 V261	Q81-M259 PolarHBondContact N-O 2.91Å; Q81-L260 HydrophobicContact CB-CD2 3.87Å; Q81-L260 HydrophobicContact CG-CD2 3.88Å; Q81-L260 WeakPolarHBondContact O-CA 3.41Å; Q81-V261 PolarHBondContact O-N 3.19Å
82	G	80.9	Confident	62.2	Low	41 Å²	41	67.2 Å²	67.2	42%	0.423	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	152.3	169.3	0	0	0	0	0	112.5	V261	G82-V261 CarbonylContact C-O 2.97Å; G82-V261 WeakPolarHBondContact CA-O 3.25Å
83	V	82.8	Confident	60.7	Low	18 Å²	18	71 Å²	71	11%	0.109	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	118.5	-176.9	-177.8	0	0	0	0	109.9	L260 V261 V262 E263 A267 W285 F289	V83-L260 HydrophobicContact CG2-CD2 3.97Å; V83-V261 PolarHBondContact N-O 3.01Å; V83-V262 HydrophobicContact CB-CG2 4.42Å; V83-E263 PolarHBondContact O-N 2.89Å; V83-A267 HydrophobicContact CG1-CB 3.87Å; V83-W285 HydrophobicContact CG1-CZ2 4.42Å; V83-F289 HydrophobicContact CG2-CE1 4.44Å; V83-F289 HydrophobicContact CG2-CZ 4.46Å
84	S	79.1	Confident	58.6	Low	34 Å²	34	75.7 Å²	75.7	24%	0.238	46%	0.462	C	S	.	.			trans	-142.4	154.9	-172.2	43.1	0	0	0	0	113.6	G86 D264	S84-G86 PolarHBondContact O-N 2.81Å; S84-D264 WeakPolarHBondContact CA-OD2 3.29Å; S84-D264 WeakPolarHBondContact CB-OD2 3.28Å
85	A	57.8	Low	56.4	Low	51 Å²	51	81.1 Å²	81.1	42%	0.421	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	54.3	-170.8	0	0	0	0	0	113	D264 E266	A85-D264 HydrophobicContact CB-CB 3.62Å; A85-D264 PolarHBondContact N-OD2 2.7Å; A85-E266 HydrophobicContact CB-CB 4.17Å
86	G	49.3	Very low	54	Low	62 Å²	62	84.2 Å²	84.2	64%	0.639	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-163.1	-4.8	176.7	0	0	0	0	0	115.6	S84	S84-G86 PolarHBondContact O-N 2.81Å
87	Y	44	Very low	52.6	Low	171 Å²	171	86.1 Å²	86.1	67%	0.671	55%	0.554	S	S	*	*			trans	-113.3	9.2	-172.5	-97.5	-90	0	0	0	115.6	A89	Y87-A89 PolarHBondContact O-N 2.72Å
88	T	39.8	Very low	51.1	Low	136 Å²	136	92 Å²	92	83%	0.834	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	44.4	-177.1	43.5	0	0	0	0	114.9
89	A	35.2	Very low	49.5	Very low	94 Å²	94	93.9 Å²	93.9	78%	0.777	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.4	-16.4	175.6	0	0	0	0	0	116.9	Y87	Y87-A89 PolarHBondContact O-N 2.72Å
90	T	30.7	Very low	48.1	Very low	85 Å²	85	97.7 Å²	97.7	52%	0.521	60%	0.603	S	S	.	*			trans	-139.1	117.2	-176.2	52.3	0	0	0	0	114.8	R92	T90-R92 PolarHBondContact O-N 2.98Å
91	L	41.3	Very low	46.5	Very low	191 Å²	191	98.1 Å²	98.1	100%	1	62%	0.617	S	S	*	*			trans	-59.6	100	160.4	-82.1	157.9	0	0	0	110.1
92	R	29	Very low	45	Very low	213 Å²	213	102.9 Å²	102.9	80%	0.804	63%	0.632	S	S	*	*			trans	-132.2	116.5	163.3	-78.1	-174.3	168.1	-174.1	-3	108.5	T90 A94	T90-R92 PolarHBondContact O-N 2.98Å; R92-A94 PolarHBondContact O-N 2.77Å
93	S	33.6	Very low	43.8	Very low	122 Å²	122	102.6 Å²	102.6	85%	0.853	62%	0.621	S	S	*	*			trans	-55.9	112.3	162.5	-50.6	0	0	0	0	107.8	S95	S93-S95 PolarHBondContact O-N 3.03Å
94	A	28.9	Very low	42.6	Very low	98 Å²	98	105.1 Å²	105.1	81%	0.81	63%	0.628	S	S	*	*			trans	-68.6	101.1	179.5	0	0	0	0	0	108.6	R92 G96	R92-A94 PolarHBondContact O-N 2.77Å; A94-G96 PolarHBondContact O-N 2.92Å
95	S	29.3	Very low	41.8	Very low	123 Å²	123	113 Å²	113	86%	0.86	65%	0.653	S	S	*	*			trans	-74.3	36.2	-178.3	45.9	0	0	0	0	113.6	S93 A97	S93-S95 PolarHBondContact O-N 3.03Å; S95-A97 PolarHBondContact O-N 2.93Å
96	G	28.1	Very low	42.1	Very low	72 Å²	72	111.4 Å²	111.4	74%	0.742	64%	0.639	S	S	*	*			trans	-79.5	58.5	168.7	0	0	0	0	0	111.4	A94 Q98	A94-G96 PolarHBondContact O-N 2.92Å; G96-Q98 PolarHBondContact O-N 2.93Å
97	A	35.4	Very low	42.8	Very low	91 Å²	91	108.6 Å²	108.6	75%	0.752	61%	0.608	S	S	*	*			trans	-66.8	115.3	-178	0	0	0	0	0	111.4	S95	S95-A97 PolarHBondContact O-N 2.93Å
98	Q	35.1	Very low	43.6	Very low	168 Å²	168	101 Å²	101	79%	0.785	58%	0.579	S	S	*	*			trans	160.7	132.4	146.6	-84.3	-82.1	-29.7	0	0	108.6	G96	G96-Q98 PolarHBondContact O-N 2.93Å
99	P	44.2	Very low	44.7	Very low	50 Å²	50	95.5 Å²	95.5	33%	0.325	55%	0.546	S	S	.	.			cis	-137.8	98.3	-16.6	34.5	-12.8	0	0	0	112.9	G101 R102	P99-G101 PolarHBondContact O-N 2.86Å; P99-G101 VanDerWaalsContact O-N 3.09Å; P99-R102 HydrophobicContact CB-CB 4.48Å; P99-R102 HydrophobicContact CB-CG 4.05Å; P99-R102 HydrophobicContact CG-CB 4.06Å; P99-R102 HydrophobicContact CG-CG 3.74Å; P99-R102 PolarHBondContact O-N 2.98Å
100	E	46.5	Very low	46.1	Very low	121 Å²	121	92 Å²	92	57%	0.565	52%	0.52	S	S	*	.	H	α-helix	trans	-54.3	-32.8	176.9	-62.8	157	153.9	0	0	112.7	R102 L103 R104	E100-R102 PolarHBondContact O-N 2.64Å; E100-L103 PolarHBondContact O-N 2.85Å; E100-R104 PolarHBondContact O-N 2.86Å
101	G	44.8	Very low	47.4	Very low	49 Å²	49	90.3 Å²	90.3	51%	0.505	51%	0.508	S	S	.	.	H	α-helix	trans	-68.8	-5.9	174.9	0	0	0	0	0	116.3	P99	P99-G101 PolarHBondContact O-N 2.86Å; P99-G101 VanDerWaalsContact O-N 3.09Å
102	R	50.4	Low	48.6	Very low	171 Å²	171	81.6 Å²	81.6	65%	0.645	46%	0.462	S	S	*	.	H	α-helix	trans	-87.8	-44.6	167	-72.3	-166.5	-168.2	175.8	0.7	112	P99 E100 R104 R105 C106	P99-R102 HydrophobicContact CB-CB 4.48Å; P99-R102 HydrophobicContact CB-CG 4.05Å; P99-R102 HydrophobicContact CG-CB 4.06Å; P99-R102 HydrophobicContact CG-CG 3.74Å; P99-R102 PolarHBondContact O-N 2.98Å; E100-R102 PolarHBondContact O-N 2.64Å; R102-R104 VanDerWaalsContact C-N 3.27Å; R102-R104 PolarHBondContact O-N 2.86Å; R102-R105 WeakPolarHBondContact O-CA 3.38Å; R102-R105 PolarHBondContact O-N 2.98Å; R102-C106 PolarHBondContact O-N 2.88Å
103	L	54.3	Low	50.4	Low	34 Å²	34	73.1 Å²	73.1	18%	0.178	44%	0.441	C	S	.	.	H	α-helix	trans	-51.3	-47.4	178.5	-89.4	148.8	0	0	0	111.2	I80 E100 R105 C106 F107 H230	I80-L103 HydrophobicContact CD1-CD1 3.95Å; I80-L103 HydrophobicContact CD1-CD2 4.44Å; E100-L103 PolarHBondContact O-N 2.85Å; L103-R105 PolarHBondContact O-N 3.05Å; L103-R105 VanDerWaalsContact O-N 3.08Å; L103-C106 PolarHBondContact O-N 2.96Å; L103-F107 HydrophobicContact CD2-CE2 4.43Å; L103-F107 HydrophobicContact CD2-CZ 4.45Å; L103-F107 WeakPolarHBondContact O-CD2 3.03Å; L103-F107 WeakPolarHBondContact O-CE2 3.5Å; L103-H230 WeakPolarHBondContact CD2-CE1 3.07Å
104	R	58.9	Low	51.1	Low	71 Å²	71	74.1 Å²	74.1	27%	0.268	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.3	177.1	-56.9	-167.3	-169.8	177.5	7.3	114.4	T71 L74 S75 P76 F78 E100 R102	T71-R104 HydrophobicContact CG2-CB 4.29Å; T71-R104 WeakPolarHBondContact CG2-O 3.34Å; L74-R104 HydrophobicContact CD1-CG 4.02Å; S75-R104 PolarHBondContact O-NH1 2.82Å; S75-R104 PolarHBondContact O-NH2 2.91Å; P76-R104 VanDerWaalsContact O-CZ 3.32Å; P76-R104 PolarHBondContact O-NH1 2.84Å; P76-R104 PolarHBondContact O-NH2 3.07Å; F78-R104 VanDerWaalsContact N-NH2 3.16Å; F78-R104 PolarHBondContact O-NH2 3.49Å; E100-R104 PolarHBondContact O-N 2.86Å; R102-R104 VanDerWaalsContact C-N 3.27Å; R102-R104 PolarHBondContact O-N 2.86Å
105	R	60.5	Low	52	Low	201 Å²	201	71.3 Å²	71.3	76%	0.758	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	2.9	177.3	-59.7	-177	-172	-174.6	1.3	113.6	R102 L103	R102-R105 WeakPolarHBondContact O-CA 3.38Å; R102-R105 PolarHBondContact O-N 2.98Å; L103-R105 PolarHBondContact O-N 3.05Å; L103-R105 VanDerWaalsContact O-N 3.08Å
106	C	64.5	Low	52.7	Low	17 Å²	17	73.4 Å²	73.4	12%	0.115	40%	0.399	C	S	.	.	S	Bend	trans	-103	-8.6	-175.1	-76	0	0	0	0	114.4	R102 L103 F108 S123 L124 C125	R102-C106 PolarHBondContact O-N 2.88Å; L103-C106 PolarHBondContact O-N 2.96Å; C106-F108 VanDerWaalsContact O-CD2 3.27Å; C106-F108 WeakPolarHBondContact O-CD2 3.46Å; C106-F108 WeakPolarHBondContact O-CE2 3.32Å; C106-S123 CarbonylContact O-C 3.59Å; C106-S123 VanDerWaalsContact O-CA 3.25Å; C106-S123 WeakPolarHBondContact O-CA 3.42Å; C106-L124 PolarHBondContact O-N 2.68Å; C106-C125 HydrophobicContact CB-CB 3.57Å; C106-C125 WeakPolarHBondContact CB-SG 3.44Å; C106-C125 WeakPolarHBondContact SG-CA 3.48Å; C106-C125 WeakPolarHBondContact SG-CB 3.46Å; C106-C125 CovalentContact SG-SG 2.03Å; C106-C125 PolarHBondContact SG-SG 3.31Å
107	F	64.1	Low	53.6	Low	2 Å²	2	73.5 Å²	73.5	1%	0.009	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	129.5	-177.7	-63	-71.3	0	0	0	111.9	D70 F73 L103 H230 L233	D70-F107 PolarHBondContact N-O 3.43Å; F73-F107 HydrophobicContact CE1-CB 4.47Å; F73-F107 HydrophobicContact CZ-CB 4.47Å; F73-F107 HydrophobicContact CZ-CG 4.4Å; L103-F107 HydrophobicContact CD2-CE2 4.43Å; L103-F107 HydrophobicContact CD2-CZ 4.45Å; L103-F107 WeakPolarHBondContact O-CD2 3.03Å; L103-F107 WeakPolarHBondContact O-CE2 3.5Å; F107-H230 AromaticContact CE1-ND1 3.83Å; F107-H230 AromaticContact CZ-ND1 3.49Å; F107-H230 WeakPolarHBondContact CZ-ND1 3.45Å; F107-L233 HydrophobicContact CD1-CB 4.3Å; F107-L233 HydrophobicContact CE1-CB 3.59Å; F107-L233 HydrophobicContact CE2-CB 4.05Å; F107-L233 HydrophobicContact CE2-CD1 3.72Å; F107-L233 HydrophobicContact CZ-CB 3.45Å; F107-L233 VanDerWaalsContact CZ-CB 3.45Å; F107-L233 HydrophobicContact CZ-CD1 3.61Å; F107-L233 HydrophobicContact CZ-CG 4.14Å
108	F	61.7	Low	54.3	Low	11 Å²	11	69.7 Å²	69.7	5%	0.048	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.3	-177.9	-59.1	-104.8	0	0	0	111.4	E50 P52 L67 I68 P69 C106 A121 V122 L124	E50-F108 WeakPolarHBondContact O-CE1 3.5Å; P52-F108 HydrophobicContact CG-CD1 3.96Å; P52-F108 HydrophobicContact CG-CE1 3.68Å; P52-F108 HydrophobicContact CG-CZ 4.12Å; L67-F108 HydrophobicContact CB-CB 3.79Å; L67-F108 HydrophobicContact CB-CD1 4.03Å; L67-F108 HydrophobicContact CB-CG 4.15Å; L67-F108 HydrophobicContact CD1-CB 4.46Å; L67-F108 HydrophobicContact CD2-CB 4.24Å; L67-F108 HydrophobicContact CG-CB 4.39Å; I68-F108 CarbonylContact O-C 3.59Å; I68-F108 WeakPolarHBondContact O-CA 3.22Å; I68-F108 WeakPolarHBondContact O-CB 3.31Å; P69-F108 HydrophobicContact CB-CD1 4.46Å; P69-F108 HydrophobicContact CB-CE1 4.34Å; P69-F108 HydrophobicContact CG-CD1 4.12Å; P69-F108 HydrophobicContact CG-CE1 3.77Å; C106-F108 VanDerWaalsContact O-CD2 3.27Å; C106-F108 WeakPolarHBondContact O-CD2 3.46Å; C106-F108 WeakPolarHBondContact O-CE2 3.32Å; F108-A121 WeakPolarHBondContact O-CA 3.13Å; F108-V122 HydrophobicContact CB-CG2 4.45Å; F108-V122 PolarHBondContact N-O 2.97Å; F108-V122 PolarHBondContact O-N 3.44Å; F108-L124 HydrophobicContact CD2-CB 4.26Å; F108-L124 HydrophobicContact CD2-CD1 3.6Å; F108-L124 HydrophobicContact CD2-CG 3.69Å; F108-L124 HydrophobicContact CE1-CD1 4.42Å; F108-L124 HydrophobicContact CE2-CB 3.97Å; F108-L124 HydrophobicContact CE2-CD1 3.5Å; F108-L124 HydrophobicContact CE2-CG 3.82Å; F108-L124 HydrophobicContact CG-CD1 4.17Å; F108-L124 HydrophobicContact CZ-CD1 3.95Å
109	S	62.4	Low	55.1	Low	21 Å²	21	63.3 Å²	63.3	15%	0.147	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	168.1	170.2	63	0	0	0	0	110.9	L67 I68 V120	L67-S109 WeakPolarHBondContact CA-O 3.43Å; I68-S109 PolarHBondContact N-O 2.97Å; I68-S109 PolarHBondContact O-N 2.82Å; S109-V120 VanDerWaalsContact CA-O 3.27Å; S109-V120 WeakPolarHBondContact CA-O 3.4Å
110	G	64.3	Low	55.8	Low	22 Å²	22	60.9 Å²	60.9	23%	0.227	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.8	-149.6	175.4	0	0	0	0	0	113.7	N66 V120	N66-G110 WeakPolarHBondContact O-CA 3.35Å; G110-V120 PolarHBondContact N-O 2.9Å; G110-V120 WeakPolarHBondContact O-CB 3.16Å; G110-V120 PolarHBondContact O-N 3.03Å
111	N	58.5	Low	56.4	Low	49 Å²	49	55.2 Å²	55.2	26%	0.262	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	170.2	-171.5	74.2	-24.3	0	0	0	112.9	N66 S118 V120	N66-N111 WeakPolarHBondContact CB-OD1 2.98Å; N66-N111 PolarHBondContact N-O 3.34Å; N66-N111 PolarHBondContact ND2-OD1 3.47Å; N66-N111 PolarHBondContact O-N 3.28Å; N111-S118 WeakPolarHBondContact CB-OG 3.37Å; N111-V120 VanDerWaalsContact C-CG2 3.47Å
112	V	66.8	Low	57.1	Low	8 Å²	8	52.9 Å²	52.9	5%	0.048	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	103.3	-174.9	-172	0	0	0	0	109.1	L63 T64 L65 Q114 D115 S118 V120 F132	L63-V112 HydrophobicContact CB-CG1 4.46Å; L63-V112 HydrophobicContact CD2-CG1 4.4Å; T64-V112 CarbonylContact O-C 3.51Å; T64-V112 VanDerWaalsContact O-CA 3.24Å; T64-V112 WeakPolarHBondContact O-CA 3.35Å; L65-V112 HydrophobicContact CD2-CG2 4Å; V112-Q114 PolarHBondContact O-N 3.37Å; V112-Q114 VanDerWaalsContact O-N 3.09Å; V112-D115 PolarHBondContact O-N 3.26Å; V112-D115 VanDerWaalsContact O-N 3.14Å; V112-S118 PolarHBondContact N-OG 2.8Å; V112-V120 HydrophobicContact CG2-CG2 3.58Å; V112-F132 HydrophobicContact CG1-CD2 4.41Å; V112-F132 HydrophobicContact CG2-CB 3.8Å; V112-F132 HydrophobicContact CG2-CD2 3.71Å; V112-F132 HydrophobicContact CG2-CG 4.1Å
113	G	66.6	Low	57.8	Low	34 Å²	34	44.8 Å²	44.8	35%	0.351	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	-108.9	-179.3	0	0	0	0	0	112.4	T64 N66	T64-G113 PolarHBondContact O-N 3.07Å; N66-G113 PolarHBondContact ND2-O 2.66Å
114	Q	46.9	Very low	58.5	Low	143 Å²	143	44 Å²	44	67%	0.668	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.8	9.5	179.3	-70.3	175.9	-16.9	0	0	112.7	V112 E116	V112-Q114 PolarHBondContact O-N 3.37Å; V112-Q114 VanDerWaalsContact O-N 3.09Å; Q114-E116 PolarHBondContact O-N 3.35Å
115	D	48.8	Very low	58.5	Low	39 Å²	39	42.7 Å²	42.7	21%	0.209	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	93.9	175.9	-177.4	-2.8	0	0	0	108.9	V112 N117 S118 S134 E135	V112-D115 PolarHBondContact O-N 3.26Å; V112-D115 VanDerWaalsContact O-N 3.14Å; D115-N117 PolarHBondContact O-N 2.81Å; D115-N117 WeakPolarHBondContact OD1-CA 3.36Å; D115-N117 WeakPolarHBondContact OD1-CB 3.26Å; D115-N117 PolarHBondContact OD1-N 2.87Å; D115-N117 VanDerWaalsContact OD1-N 3.1Å; D115-S118 WeakPolarHBondContact O-CB 3.49Å; D115-S118 PolarHBondContact O-N 3.1Å; D115-S118 PolarHBondContact O-OG 2.89Å; D115-S118 PolarHBondContact OD1-N 3.28Å; D115-S118 VanDerWaalsContact OD1-N 3.13Å; D115-S134 VanDerWaalsContact OD2-CA 3.23Å; D115-S134 WeakPolarHBondContact OD2-CA 3.44Å; D115-S134 WeakPolarHBondContact OD2-CB 3.23Å; D115-S134 PolarHBondContact OD2-OG 2.91Å; D115-E135 PolarHBondContact OD2-N 2.91Å
116	E	44.4	Very low	58.6	Low	167 Å²	167	34.1 Å²	34.1	78%	0.78	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	-21.6	176.2	-69.4	-178.5	178.9	0	0	113	Q114 S118	Q114-E116 PolarHBondContact O-N 3.35Å; E116-S118 VanDerWaalsContact C-N 3.33Å
117	N	46.3	Very low	58.6	Low	75 Å²	75	33.4 Å²	33.4	40%	0.401	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	1.8	173.2	-66.1	-87.9	0	0	0	111.6	D115 K389 S390	D115-N117 PolarHBondContact O-N 2.81Å; D115-N117 WeakPolarHBondContact OD1-CA 3.36Å; D115-N117 WeakPolarHBondContact OD1-CB 3.26Å; D115-N117 PolarHBondContact OD1-N 2.87Å; D115-N117 VanDerWaalsContact OD1-N 3.1Å; N117-K389 HydrophobicContact CB-CB 4.46Å; N117-K389 HydrophobicContact CB-CD 4.44Å; N117-K389 WeakPolarHBondContact O-CD 3.27Å; N117-K389 WeakPolarHBondContact O-CE 3.45Å; N117-K389 PolarHBondContact O-NZ 2.94Å; N117-S390 PolarHBondContact OD1-OG 2.81Å
118	S	51	Low	58.9	Low	11 Å²	11	33.3 Å²	33.3	8%	0.077	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	147.7	174	65.5	0	0	0	0	112	N111 V112 D115 E116 I133	N111-S118 WeakPolarHBondContact CB-OG 3.37Å; V112-S118 PolarHBondContact N-OG 2.8Å; D115-S118 WeakPolarHBondContact O-CB 3.49Å; D115-S118 PolarHBondContact O-N 3.1Å; D115-S118 PolarHBondContact O-OG 2.89Å; D115-S118 PolarHBondContact OD1-N 3.28Å; D115-S118 VanDerWaalsContact OD1-N 3.13Å; E116-S118 VanDerWaalsContact C-N 3.33Å; S118-I133 WeakPolarHBondContact CA-O 3.42Å; S118-I133 WeakPolarHBondContact CB-O 3.44Å
119	L	50.6	Low	58.9	Low	33 Å²	33	33.3 Å²	33.3	17%	0.173	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129	177.4	-170.1	155.6	0	0	0	107.2	F132 I133 M238 Q241	L119-F132 CarbonylContact O-C 3.54Å; L119-F132 WeakPolarHBondContact O-CA 3.49Å; L119-I133 PolarHBondContact N-O 2.94Å; L119-I133 PolarHBondContact O-N 3.17Å; L119-M238 HydrophobicContact CD2-CG 4.03Å; L119-Q241 HydrophobicContact CD1-CB 4.32Å
120	V	59.5	Low	58.7	Low	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.7	174.1	-173.8	0	0	0	0	108.1	L65 L67 S109 G110 N111 V112 V122 F132	L65-V120 HydrophobicContact CB-CG1 4.44Å; L65-V120 HydrophobicContact CD1-CG1 4.17Å; L65-V120 HydrophobicContact CD2-CG1 4.27Å; L65-V120 HydrophobicContact CD2-CG2 4.02Å; L67-V120 HydrophobicContact CD2-CB 4.3Å; L67-V120 HydrophobicContact CD2-CG1 3.51Å; S109-V120 VanDerWaalsContact CA-O 3.27Å; S109-V120 WeakPolarHBondContact CA-O 3.4Å; G110-V120 PolarHBondContact N-O 2.9Å; G110-V120 WeakPolarHBondContact O-CB 3.16Å; G110-V120 PolarHBondContact O-N 3.03Å; N111-V120 VanDerWaalsContact C-CG2 3.47Å; V112-V120 HydrophobicContact CG2-CG2 3.58Å; V120-V122 HydrophobicContact CG1-CG1 4.03Å; V120-V122 HydrophobicContact CG1-CG2 4.41Å; V120-F132 HydrophobicContact CB-CB 4.21Å; V120-F132 HydrophobicContact CG1-CB 4.17Å; V120-F132 HydrophobicContact CG2-CB 3.76Å
121	A	59	Low	58.2	Low	1 Å²	1	31.3 Å²	31.3	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	119	165.5	0	0	0	0	0	108.1	F108 G130 S131 T234 M238	F108-A121 WeakPolarHBondContact O-CA 3.13Å; A121-G130 WeakPolarHBondContact O-CA 3.36Å; A121-S131 PolarHBondContact N-O 2.68Å; A121-S131 PolarHBondContact O-N 2.92Å; A121-S131 VanDerWaalsContact O-O 3.12Å; A121-T234 HydrophobicContact CB-CG2 3.77Å; A121-T234 WeakPolarHBondContact O-CG2 3.42Å; A121-M238 HydrophobicContact CB-CG 3.38Å; A121-M238 HydrophobicContact CB-SD 4.07Å
122	V	59.6	Low	58.2	Low	1 Å²	1	29 Å²	29	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146	-178.2	-62.8	0	0	0	0	112.3	L65 L67 F108 V120 L124 I128 F129 I141	L65-V122 HydrophobicContact CD1-CG1 4.34Å; L67-V122 HydrophobicContact CD1-CG2 3.61Å; L67-V122 HydrophobicContact CD2-CG2 3.58Å; L67-V122 HydrophobicContact CG-CG2 4.26Å; F108-V122 HydrophobicContact CB-CG2 4.45Å; F108-V122 PolarHBondContact N-O 2.97Å; F108-V122 PolarHBondContact O-N 3.44Å; V120-V122 HydrophobicContact CG1-CG1 4.03Å; V120-V122 HydrophobicContact CG1-CG2 4.41Å; V122-L124 HydrophobicContact CG2-CD2 4.15Å; V122-I128 HydrophobicContact CB-CG2 4.04Å; V122-I128 HydrophobicContact CG1-CG2 3.87Å; V122-I128 HydrophobicContact CG2-CG2 4.32Å; V122-F129 WeakPolarHBondContact CA-O 3.44Å; V122-I141 HydrophobicContact CG1-CG2 4.39Å
123	S	65.8	Low	57.5	Low	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	146.2	156.2	180	0	0	0	0	110.5	C106 C125 F129 H230	C106-S123 CarbonylContact O-C 3.59Å; C106-S123 VanDerWaalsContact O-CA 3.25Å; C106-S123 WeakPolarHBondContact O-CA 3.42Å; S123-C125 PolarHBondContact OG-N 2.03Å; S123-F129 PolarHBondContact N-O 3.23Å; S123-F129 PolarHBondContact O-N 2.77Å; S123-H230 PolarHBondContact OG-ND1 3.19Å
124	L	68.2	Low	57.3	Low	19 Å²	19	28.2 Å²	28.2	10%	0.099	15%	0.147	C	C	.	.			trans	-116.1	7.8	171.3	-61.2	-175.5	0	0	0	114.2	P52 F54 L67 C106 F108 V122 G127 I128	P52-L124 HydrophobicContact CB-CD1 4.12Å; P52-L124 HydrophobicContact CG-CD1 3.34Å; F54-L124 HydrophobicContact CD2-CD2 4.44Å; F54-L124 HydrophobicContact CE2-CD1 3.7Å; F54-L124 HydrophobicContact CE2-CD2 3.55Å; F54-L124 HydrophobicContact CE2-CG 4.32Å; F54-L124 HydrophobicContact CZ-CD1 4.12Å; F54-L124 HydrophobicContact CZ-CD2 3.86Å; L67-L124 HydrophobicContact CD1-CD1 3.95Å; L67-L124 HydrophobicContact CD1-CD2 4.05Å; L67-L124 HydrophobicContact CD1-CG 4.35Å; C106-L124 PolarHBondContact O-N 2.68Å; F108-L124 HydrophobicContact CD2-CB 4.26Å; F108-L124 HydrophobicContact CD2-CD1 3.6Å; F108-L124 HydrophobicContact CD2-CG 3.69Å; F108-L124 HydrophobicContact CE1-CD1 4.42Å; F108-L124 HydrophobicContact CE2-CB 3.97Å; F108-L124 HydrophobicContact CE2-CD1 3.5Å; F108-L124 HydrophobicContact CE2-CG 3.82Å; F108-L124 HydrophobicContact CG-CD1 4.17Å; F108-L124 HydrophobicContact CZ-CD1 3.95Å; V122-L124 HydrophobicContact CG2-CD2 4.15Å; L124-G127 CarbonylContact C-O 3.55Å; L124-G127 VanDerWaalsContact C-O 3.3Å; L124-G127 WeakPolarHBondContact CA-O 3.35Å; L124-I128 HydrophobicContact CD2-CB 4.28Å; L124-I128 HydrophobicContact CD2-CG1 3.92Å; L124-I128 HydrophobicContact CD2-CG2 4.18Å
125	C	59.6	Low	58	Low	43 Å²	43	27 Å²	27	29%	0.291	14%	0.141	S	C	.	.	S	Bend	trans	-70.5	-39	-170.2	-114.5	0	0	0	0	114	C106 S123 H230	C106-C125 HydrophobicContact CB-CB 3.57Å; C106-C125 WeakPolarHBondContact CB-SG 3.44Å; C106-C125 WeakPolarHBondContact SG-CA 3.48Å; C106-C125 WeakPolarHBondContact SG-CB 3.46Å; C106-C125 CovalentContact SG-SG 2.03Å; C106-C125 PolarHBondContact SG-SG 3.31Å; S123-C125 PolarHBondContact OG-N 2.03Å; C125-H230 WeakPolarHBondContact CB-CE1 3.44Å; C125-H230 VanDerWaalsContact CB-NE2 3.27Å; C125-H230 WeakPolarHBondContact CB-NE2 3.16Å; C125-H230 VanDerWaalsContact SG-CE1 3.52Å
126	S	61.8	Low	58.1	Low	21 Å²	21	28.1 Å²	28.1	15%	0.147	16%	0.161	C	C	.	.	S	Bend	trans	-123.7	18.1	-173.8	-48.9	0	0	0	0	113.1	P151 Q156 E227	S126-P151 CarbonylContact C-O 3.53Å; S126-P151 WeakPolarHBondContact CA-O 3.02Å; S126-Q156 PolarHBondContact O-NE2 3.47Å; S126-E227 VanDerWaalsContact CB-CD 3.46Å; S126-E227 WeakPolarHBondContact CB-OE1 3.31Å; S126-E227 WeakPolarHBondContact CB-OE2 3.33Å; S126-E227 PolarHBondContact OG-OE1 3.26Å; S126-E227 PolarHBondContact OG-OE2 2.8Å
127	G	65.8	Low	58.5	Low	1 Å²	1	24.6 Å²	24.6	1%	0.01	14%	0.143	C	C	.	.	S	Bend	trans	130.9	176.3	-158.6	0	0	0	0	0	110.7	L124	L124-G127 CarbonylContact C-O 3.55Å; L124-G127 VanDerWaalsContact C-O 3.3Å; L124-G127 WeakPolarHBondContact CA-O 3.35Å
128	I	69.8	Low	59	Low	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.129	C	C	.	.			trans	-81	118.6	161.2	-47.5	-180	0	0	0	107.3	P33 F54 L56 L65 V122 L124 I141 A154 H158	P33-I128 HydrophobicContact CB-CD1 3.42Å; P33-I128 VanDerWaalsContact CB-CD1 3.42Å; P33-I128 HydrophobicContact CB-CG1 4.39Å; P33-I128 HydrophobicContact CG-CD1 3.67Å; P33-I128 HydrophobicContact CG-CG1 4.34Å; F54-I128 HydrophobicContact CB-CD1 3.74Å; F54-I128 HydrophobicContact CD1-CD1 3.52Å; F54-I128 HydrophobicContact CD1-CG1 4.25Å; F54-I128 HydrophobicContact CD2-CD1 3.86Å; F54-I128 HydrophobicContact CD2-CG1 4.47Å; F54-I128 HydrophobicContact CE1-CD1 3.94Å; F54-I128 HydrophobicContact CE1-CG1 4.16Å; F54-I128 HydrophobicContact CE2-CD1 4.27Å; F54-I128 HydrophobicContact CE2-CG1 4.41Å; F54-I128 HydrophobicContact CG-CD1 3.44Å; F54-I128 VanDerWaalsContact CG-CD1 3.44Å; F54-I128 HydrophobicContact CG-CG1 4.37Å; F54-I128 HydrophobicContact CZ-CD1 4.29Å; F54-I128 HydrophobicContact CZ-CG1 4.24Å; L56-I128 HydrophobicContact CD2-CD1 4.3Å; L65-I128 HydrophobicContact CD1-CG2 4.43Å; V122-I128 HydrophobicContact CB-CG2 4.04Å; V122-I128 HydrophobicContact CG1-CG2 3.87Å; V122-I128 HydrophobicContact CG2-CG2 4.32Å; L124-I128 HydrophobicContact CD2-CB 4.28Å; L124-I128 HydrophobicContact CD2-CG1 3.92Å; L124-I128 HydrophobicContact CD2-CG2 4.18Å; I128-I141 HydrophobicContact CB-CD1 4.07Å; I128-I141 HydrophobicContact CB-CG1 4.48Å; I128-I141 HydrophobicContact CD1-CD1 4.29Å; I128-I141 HydrophobicContact CG2-CD1 4.1Å; I128-I141 HydrophobicContact CG2-CG1 4.49Å; I128-I141 HydrophobicContact CG2-CG2 3.91Å; I128-A154 HydrophobicContact CG1-CB 3.95Å; I128-H158 PolarHBondContact O-CD2 3.13Å
129	F	61.8	Low	59.4	Low	11 Å²	11	21.6 Å²	21.6	5%	0.048	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	115.4	-179.2	-179.4	-103.6	0	0	0	109.8	V122 S123 I141 E142 Y224 E227 H230 Y231	V122-F129 WeakPolarHBondContact CA-O 3.44Å; S123-F129 PolarHBondContact N-O 3.23Å; S123-F129 PolarHBondContact O-N 2.77Å; F129-I141 WeakPolarHBondContact CA-O 3.4Å; F129-E142 HydrophobicContact CD2-CB 4Å; F129-E142 HydrophobicContact CE2-CB 4.12Å; F129-Y224 AromaticContact CZ-CD1 3.82Å; F129-Y224 HydrophobicContact CZ-CD1 3.82Å; F129-Y224 AromaticContact CZ-CE1 3.93Å; F129-Y224 HydrophobicContact CZ-CE1 3.93Å; F129-E227 HydrophobicContact CE1-CB 4.19Å; F129-E227 HydrophobicContact CZ-CB 4.27Å; F129-H230 HydrophobicContact CD1-CB 4.09Å; F129-H230 HydrophobicContact CE1-CB 4.49Å; F129-Y231 AromaticContact CE1-CD2 3.66Å; F129-Y231 HydrophobicContact CE1-CD2 3.66Å; F129-Y231 HydrophobicContact CE1-CG 4.13Å; F129-Y231 AromaticContact CZ-CD2 3.59Å; F129-Y231 HydrophobicContact CZ-CD2 3.59Å; F129-Y231 HydrophobicContact CZ-CE2 4.5Å; F129-Y231 HydrophobicContact CZ-CG 4.22Å
130	G	58.6	Low	59.4	Low	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.8	-155.7	-173.6	0	0	0	0	0	113.2	A121 I141 L343	A121-G130 WeakPolarHBondContact O-CA 3.36Å; G130-I141 PolarHBondContact N-O 3.17Å; G130-I141 WeakPolarHBondContact O-CG2 3.37Å; G130-I141 PolarHBondContact O-N 3.37Å; G130-L343 VanDerWaalsContact CA-CD1 3.46Å; G130-L343 WeakPolarHBondContact O-CD1 3.38Å
131	S	54	Low	59.8	Low	1 Å²	1	21.2 Å²	21.2	1%	0.007	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	160.9	-175.3	55.8	0	0	0	0	113.2	A121 Y139 M238 L343	A121-S131 PolarHBondContact N-O 2.68Å; A121-S131 PolarHBondContact O-N 2.92Å; A121-S131 VanDerWaalsContact O-O 3.12Å; S131-Y139 VanDerWaalsContact CA-O 3.3Å; S131-Y139 WeakPolarHBondContact CA-O 3.3Å; S131-M238 PolarHBondContact OG-SD 3.3Å; S131-M238 VanDerWaalsContact OG-SD 3.32Å; S131-L343 VanDerWaalsContact N-CD1 3.32Å; S131-L343 WeakPolarHBondContact OG-CB 3.43Å
132	F	56.8	Low	60.1	Low	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	153.5	163.9	56.1	-83.9	0	0	0	111.3	L56 L63 L65 V112 L119 V120 Y139 I141 I160	L56-F132 HydrophobicContact CD1-CE1 3.52Å; L56-F132 HydrophobicContact CD1-CZ 3.66Å; L63-F132 HydrophobicContact CB-CE2 3.92Å; L63-F132 HydrophobicContact CB-CZ 4.14Å; L63-F132 HydrophobicContact CD1-CE2 3.89Å; L63-F132 HydrophobicContact CD1-CZ 3.99Å; L63-F132 HydrophobicContact CD2-CE2 4.25Å; L63-F132 HydrophobicContact CG-CE2 4.22Å; L65-F132 HydrophobicContact CD1-CD1 3.96Å; L65-F132 HydrophobicContact CD1-CE1 4.22Å; L65-F132 HydrophobicContact CD2-CB 3.94Å; L65-F132 HydrophobicContact CD2-CD1 3.54Å; L65-F132 HydrophobicContact CD2-CD2 3.87Å; L65-F132 HydrophobicContact CD2-CE1 3.92Å; L65-F132 HydrophobicContact CD2-CE2 4.2Å; L65-F132 HydrophobicContact CD2-CG 3.51Å; L65-F132 HydrophobicContact CD2-CZ 4.22Å; L65-F132 HydrophobicContact CG-CD1 4.37Å; V112-F132 HydrophobicContact CG1-CD2 4.41Å; V112-F132 HydrophobicContact CG2-CB 3.8Å; V112-F132 HydrophobicContact CG2-CD2 3.71Å; V112-F132 HydrophobicContact CG2-CG 4.1Å; L119-F132 CarbonylContact O-C 3.54Å; L119-F132 WeakPolarHBondContact O-CA 3.49Å; V120-F132 HydrophobicContact CB-CB 4.21Å; V120-F132 HydrophobicContact CG1-CB 4.17Å; V120-F132 HydrophobicContact CG2-CB 3.76Å; F132-Y139 AromaticContact CD2-CD2 3.78Å; F132-Y139 HydrophobicContact CD2-CD2 3.78Å; F132-Y139 AromaticContact CD2-CG 3.93Å; F132-Y139 HydrophobicContact CD2-CG 3.93Å; F132-Y139 HydrophobicContact CE2-CD1 4.04Å; F132-Y139 AromaticContact CE2-CD2 3.59Å; F132-Y139 HydrophobicContact CE2-CD2 3.59Å; F132-Y139 HydrophobicContact CE2-CE2 4.39Å; F132-Y139 AromaticContact CE2-CG 3.4Å; F132-Y139 HydrophobicContact CE2-CG 3.4Å; F132-Y139 HydrophobicContact CZ-CD1 4.24Å; F132-Y139 HydrophobicContact CZ-CD2 4.44Å; F132-Y139 AromaticContact CZ-CG 3.8Å; F132-Y139 HydrophobicContact CZ-CG 3.8Å; F132-Y139 PolarHBondContact N-O 2.85Å; F132-Y139 PolarHBondContact O-N 2.85Å; F132-I141 HydrophobicContact CD1-CG2 4.43Å; F132-I141 HydrophobicContact CE1-CB 4.48Å; F132-I141 HydrophobicContact CE1-CG2 4.26Å; F132-I160 HydrophobicContact CZ-CD1 4.42Å
133	I	53.5	Low	60.7	Low	17 Å²	17	24.2 Å²	24.2	9%	0.087	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116.9	-179.7	-47.7	176.1	0	0	0	108.4	S118 L119 K137 F347 K389	S118-I133 WeakPolarHBondContact CA-O 3.42Å; S118-I133 WeakPolarHBondContact CB-O 3.44Å; L119-I133 PolarHBondContact N-O 2.94Å; L119-I133 PolarHBondContact O-N 3.17Å; I133-K137 CarbonylContact C-O 3.58Å; I133-K137 VanDerWaalsContact CA-O 3.28Å; I133-K137 WeakPolarHBondContact CA-O 3.35Å; I133-K137 VanDerWaalsContact CG2-O 3.32Å; I133-K137 WeakPolarHBondContact CG2-O 3.4Å; I133-F347 HydrophobicContact CD1-CE2 3.54Å; I133-F347 HydrophobicContact CD1-CZ 3.4Å; I133-F347 VanDerWaalsContact CD1-CZ 3.4Å; I133-K389 PolarHBondContact O-NZ 2.9Å
134	S	62.4	Low	60.9	Low	10 Å²	10	28.3 Å²	28.3	7%	0.07	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.4	179	-179.5	0	0	0	0	111	D115 G136 K137	D115-S134 VanDerWaalsContact OD2-CA 3.23Å; D115-S134 WeakPolarHBondContact OD2-CA 3.44Å; D115-S134 WeakPolarHBondContact OD2-CB 3.23Å; D115-S134 PolarHBondContact OD2-OG 2.91Å; S134-G136 PolarHBondContact O-N 3.11Å; S134-G136 VanDerWaalsContact O-N 3.17Å; S134-K137 PolarHBondContact N-O 3.02Å; S134-K137 PolarHBondContact O-N 3.39Å; S134-K137 VanDerWaalsContact O-O 3.12Å
135	E	61.8	Low	60.4	Low	118 Å²	118	34.8 Å²	34.8	55%	0.551	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	33.5	-172.6	-60	176.8	-155.8	0	0	113.5	R61 D115 K137	R61-E135 IonicContact CZ-OE1 2.69Å; R61-E135 IonicContact CZ-OE2 2.71Å; R61-E135 IonicContact NH1-OE1 2.76Å; R61-E135 PolarHBondContact NH1-OE1 3.45Å; R61-E135 VanDerWaalsContact NH1-OE1 3.1Å; R61-E135 IonicContact NH1-OE2 2.85Å; R61-E135 PolarHBondContact NH1-OE2 2.91Å; R61-E135 IonicContact NH2-OE1 3.97Å; R61-E135 PolarHBondContact NH2-OE1 2.93Å; R61-E135 IonicContact NH2-OE2 2.7Å; R61-E135 PolarHBondContact NH2-OE2 3.06Å; D115-E135 PolarHBondContact OD2-N 2.91Å; E135-K137 PolarHBondContact O-N 3.22Å
136	G	50.3	Low	60	Low	61 Å²	61	41.4 Å²	41.4	63%	0.629	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.4	5.3	-175.1	0	0	0	0	0	115.3	S134	S134-G136 PolarHBondContact O-N 3.11Å; S134-G136 VanDerWaalsContact O-N 3.17Å
137	K	52.8	Low	58.9	Low	93 Å²	93	46.9 Å²	46.9	40%	0.404	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	137.8	177.1	-63.3	179.4	-175.8	177.4	0	110.5	I133 S134 E135 Y139	I133-K137 CarbonylContact C-O 3.58Å; I133-K137 VanDerWaalsContact CA-O 3.28Å; I133-K137 WeakPolarHBondContact CA-O 3.35Å; I133-K137 VanDerWaalsContact CG2-O 3.32Å; I133-K137 WeakPolarHBondContact CG2-O 3.4Å; S134-K137 PolarHBondContact N-O 3.02Å; S134-K137 PolarHBondContact O-N 3.39Å; S134-K137 VanDerWaalsContact O-O 3.12Å; E135-K137 PolarHBondContact O-N 3.22Å; K137-Y139 HydrophobicContact CB-CE2 3.95Å; K137-Y139 WeakPolarHBondContact O-CD2 3.42Å; K137-Y139 WeakPolarHBondContact O-CE2 3.24Å
138	E	56	Low	57.9	Low	23 Å²	23	50.5 Å²	50.5	11%	0.107	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	143.1	178.3	-179.8	-175.1	-154	0	0	111.6	Q344	E138-Q344 VanDerWaalsContact CD-CG 3.49Å; E138-Q344 WeakPolarHBondContact OE1-CG 3.48Å; E138-Q344 PolarHBondContact OE1-N 2.62Å; E138-Q344 WeakPolarHBondContact OE2-CG 3.48Å; E138-Q344 PolarHBondContact OE2-NE2 2.99Å
139	Y	59.9	Low	56.6	Low	1 Å²	1	58.1 Å²	58.1	0%	0.004	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	120.1	174.8	-57.1	-98	0	0	0	109.6	F59 L63 S131 F132 K137 I160 R161 R162	F59-Y139 HydrophobicContact CD2-CD1 4.19Å; F59-Y139 AromaticContact CD2-CE1 3.9Å; F59-Y139 HydrophobicContact CD2-CE1 3.9Å; F59-Y139 HydrophobicContact CE2-CD1 4.11Å; F59-Y139 HydrophobicContact CE2-CE1 4.27Å; L63-Y139 HydrophobicContact CD1-CD1 3.77Å; L63-Y139 HydrophobicContact CD1-CE1 3.56Å; L63-Y139 HydrophobicContact CD1-CG 4.47Å; L63-Y139 HydrophobicContact CD2-CE1 4.39Å; L63-Y139 HydrophobicContact CD2-CE2 4.5Å; S131-Y139 VanDerWaalsContact CA-O 3.3Å; S131-Y139 WeakPolarHBondContact CA-O 3.3Å; F132-Y139 AromaticContact CD2-CD2 3.78Å; F132-Y139 HydrophobicContact CD2-CD2 3.78Å; F132-Y139 AromaticContact CD2-CG 3.93Å; F132-Y139 HydrophobicContact CD2-CG 3.93Å; F132-Y139 HydrophobicContact CE2-CD1 4.04Å; F132-Y139 AromaticContact CE2-CD2 3.59Å; F132-Y139 HydrophobicContact CE2-CD2 3.59Å; F132-Y139 HydrophobicContact CE2-CE2 4.39Å; F132-Y139 AromaticContact CE2-CG 3.4Å; F132-Y139 HydrophobicContact CE2-CG 3.4Å; F132-Y139 HydrophobicContact CZ-CD1 4.24Å; F132-Y139 HydrophobicContact CZ-CD2 4.44Å; F132-Y139 AromaticContact CZ-CG 3.8Å; F132-Y139 HydrophobicContact CZ-CG 3.8Å; F132-Y139 PolarHBondContact N-O 2.85Å; F132-Y139 PolarHBondContact O-N 2.85Å; K137-Y139 HydrophobicContact CB-CE2 3.95Å; K137-Y139 WeakPolarHBondContact O-CD2 3.42Å; K137-Y139 WeakPolarHBondContact O-CE2 3.24Å; Y139-I160 HydrophobicContact CD1-CG2 4.1Å; Y139-R161 WeakPolarHBondContact CA-O 3.24Å; Y139-R162 HydrophobicContact CD1-CB 4.23Å; Y139-R162 HydrophobicContact CD1-CG 4.45Å; Y139-R162 HydrophobicContact CE1-CB 4.3Å; Y139-R162 HydrophobicContact CE1-CG 4.15Å
140	L	51.1	Low	55.7	Low	25 Å²	25	67.9 Å²	67.9	13%	0.131	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	137.4	166.9	171.2	66.8	0	0	0	108.5	I160 R161 L343	L140-I160 CarbonylContact O-C 3.52Å; L140-I160 WeakPolarHBondContact O-CA 2.98Å; L140-I160 WeakPolarHBondContact O-CG2 3.48Å; L140-R161 HydrophobicContact CB-CB 4.39Å; L140-R161 HydrophobicContact CD2-CG 4.48Å; L140-R161 PolarHBondContact N-O 3.29Å; L140-R161 PolarHBondContact O-N 2.81Å; L140-L343 HydrophobicContact CD1-CD1 3.62Å; L140-L343 HydrophobicContact CD1-CG 4.22Å
141	I	67.9	Low	55.3	Low	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.9	171.4	-178.9	165.9	0	0	0	111.3	V31 P33 L56 V122 I128 F129 G130 F132 H158 V159 I160	V31-I141 HydrophobicContact CG1-CD1 4.42Å; P33-I141 HydrophobicContact CG-CD1 4.18Å; L56-I141 HydrophobicContact CD1-CD1 3.82Å; L56-I141 HydrophobicContact CD2-CD1 3.5Å; L56-I141 HydrophobicContact CG-CD1 4.31Å; V122-I141 HydrophobicContact CG1-CG2 4.39Å; I128-I141 HydrophobicContact CB-CD1 4.07Å; I128-I141 HydrophobicContact CB-CG1 4.48Å; I128-I141 HydrophobicContact CD1-CD1 4.29Å; I128-I141 HydrophobicContact CG2-CD1 4.1Å; I128-I141 HydrophobicContact CG2-CG1 4.49Å; I128-I141 HydrophobicContact CG2-CG2 3.91Å; F129-I141 WeakPolarHBondContact CA-O 3.4Å; G130-I141 PolarHBondContact N-O 3.17Å; G130-I141 WeakPolarHBondContact O-CG2 3.37Å; G130-I141 PolarHBondContact O-N 3.37Å; F132-I141 HydrophobicContact CD1-CG2 4.43Å; F132-I141 HydrophobicContact CE1-CB 4.48Å; F132-I141 HydrophobicContact CE1-CG2 4.26Å; I141-H158 HydrophobicContact CD1-CB 4.31Å; I141-H158 HydrophobicContact CG1-CB 4.13Å; I141-V159 WeakPolarHBondContact CA-O 3.46Å; I141-I160 HydrophobicContact CB-CG1 4.16Å; I141-I160 HydrophobicContact CD1-CD1 4.24Å; I141-I160 HydrophobicContact CD1-CG1 4.15Å; I141-I160 HydrophobicContact CG1-CG1 4.1Å
142	E	64.9	Low	55.3	Low	33 Å²	33	76.6 Å²	76.6	15%	0.154	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	145.6	-177.3	72.3	-161.2	149.5	0	0	112.6	F129 H158 V159 R161	F129-E142 HydrophobicContact CD2-CB 4Å; F129-E142 HydrophobicContact CE2-CB 4.12Å; E142-H158 CarbonylContact O-C 3.56Å; E142-H158 WeakPolarHBondContact O-CA 3.23Å; E142-H158 WeakPolarHBondContact O-CB 3.2Å; E142-V159 HydrophobicContact CG-CB 4Å; E142-V159 PolarHBondContact N-O 2.95Å; E142-V159 PolarHBondContact O-N 3.31Å; E142-R161 IonicContact OE1-CZ 3.28Å; E142-R161 IonicContact OE1-NE 3.15Å; E142-R161 PolarHBondContact OE1-NE 2.96Å; E142-R161 IonicContact OE1-NH2 2.65Å; E142-R161 PolarHBondContact OE1-NH2 3.35Å; E142-R161 IonicContact OE2-CZ 3.33Å; E142-R161 IonicContact OE2-NE 3.1Å; E142-R161 IonicContact OE2-NH2 2.73Å; E142-R161 PolarHBondContact OE2-NH2 2.74Å
143	P	72.1	Confident	55.6	Low	32 Å²	32	78.1 Å²	78.1	21%	0.208	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	140.3	173.3	-25.8	37	0	0	0	113.9
144	K	70.3	Confident	56.2	Low	86 Å²	86	77.7 Å²	77.7	37%	0.374	42%	0.417	S	S	.	.			trans	-100.5	95.2	177.9	-159	172.2	-164.6	168.9	0	111	D30 R146 L157 V159	D30-K144 IonicContact OD1-NZ 3.61Å; D30-K144 PolarHBondContact OD1-NZ 2.66Å; D30-K144 IonicContact OD2-NZ 2.91Å; D30-K144 PolarHBondContact OD2-NZ 3.39Å; K144-R146 PolarHBondContact O-N 3.46Å; K144-L157 HydrophobicContact CB-CB 4.36Å; K144-L157 HydrophobicContact CB-CD2 4.29Å; K144-L157 HydrophobicContact CB-CG 4.09Å; K144-L157 HydrophobicContact CD-CD2 3.89Å; K144-L157 HydrophobicContact CD-CG 4.27Å; K144-L157 HydrophobicContact CG-CD2 4.44Å; K144-L157 PolarHBondContact N-O 2.03Å; K144-V159 HydrophobicContact CB-CG2 4.2Å; K144-V159 HydrophobicContact CD-CG2 3.67Å; K144-V159 HydrophobicContact CG-CG2 4.01Å
145	L	56.7	Low	56.6	Low	155 Å²	155	79.8 Å²	79.8	81%	0.812	43%	0.426	S	S	*	.			trans	-50.6	127.5	-178.7	-82.3	164.3	0	0	0	112.9
146	R	51.2	Low	57.3	Low	181 Å²	181	76.5 Å²	76.5	68%	0.683	41%	0.411	S	S	*	.			trans	-104.5	132.5	164.5	-74.9	-175.1	170.9	-171.2	-2.1	109.4	K144 G148	K144-R146 PolarHBondContact O-N 3.46Å; R146-G148 PolarHBondContact O-N 2.86Å
147	S	38.4	Very low	58.6	Low	136 Å²	136	75.7 Å²	75.7	95%	0.951	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	120.4	179.2	-173.5	0	0	0	0	111.6
148	G	45.5	Very low	60	Low	77 Å²	77	71.2 Å²	71.2	79%	0.794	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.9	10.2	167.4	0	0	0	0	0	118.4	R146	R146-G148 PolarHBondContact O-N 2.86Å
149	Q	42.3	Very low	61.2	Low	160 Å²	160	71 Å²	71	75%	0.748	37%	0.372	S	S	*	.			trans	-128.5	152.3	174.5	-70.4	-173.3	-36.6	0	0	112.8
150	R	42.9	Very low	61.9	Low	217 Å²	217	70.9 Å²	70.9	82%	0.819	37%	0.372	S	S	*	.			trans	-80.1	138.5	175.6	-77.6	-173.8	172.7	179.6	-3.1	111.3	D152	R150-D152 PolarHBondContact O-N 2.72Å; R150-D152 VanDerWaalsContact O-N 3.15Å
151	P	51.2	Low	62.7	Low	51 Å²	51	73.9 Å²	73.9	33%	0.331	38%	0.382	S	S	.	.			trans	-88.6	67.2	-173.2	36.7	-37	0	0	0	113.1	S126	S126-P151 CarbonylContact C-O 3.53Å; S126-P151 WeakPolarHBondContact CA-O 3.02Å
152	D	52.4	Low	62.6	Low	133 Å²	133	75.7 Å²	75.7	71%	0.711	39%	0.388	S	S	*	.			trans	-97.4	24.1	-175.2	-67.8	-56.9	0	0	0	114.3	R150	R150-D152 PolarHBondContact O-N 2.72Å; R150-D152 VanDerWaalsContact O-N 3.15Å
153	S	64.2	Low	62	Low	32 Å²	32	78.4 Å²	78.4	22%	0.224	40%	0.397	C	S	.	.			trans	-148.6	129.6	180	-168.3	0	0	0	0	115.8	R39 E155 Q156 H158	R39-S153 PolarHBondContact NH2-OG 2.87Å; S153-E155 PolarHBondContact O-N 2.89Å; S153-E155 VanDerWaalsContact O-N 3.12Å; S153-E155 PolarHBondContact OG-N 2.91Å; S153-Q156 WeakPolarHBondContact O-CG 3.36Å; S153-Q156 PolarHBondContact O-N 2.91Å; S153-Q156 PolarHBondContact O-NE2 3.29Å; S153-H158 PolarHBondContact O-NE2 2.97Å
154	A	65.1	Low	60.8	Low	7 Å²	7	81.5 Å²	81.5	6%	0.058	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-8.2	169.2	0	0	0	0	0	114.7	F54 I128 H158	F54-A154 HydrophobicContact CE1-CB 3.42Å; F54-A154 VanDerWaalsContact CE1-CB 3.42Å; F54-A154 HydrophobicContact CZ-CB 3.44Å; F54-A154 VanDerWaalsContact CZ-CB 3.44Å; I128-A154 HydrophobicContact CG1-CB 3.95Å; A154-H158 PolarHBondContact O-NE2 2.8Å
155	E	71.4	Confident	59.4	Low	55 Å²	55	82.9 Å²	82.9	26%	0.257	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	12.4	179.1	-55.1	176.9	104.7	0	0	113.2	V32 P33 R35 S38 R39 S153	V32-E155 WeakPolarHBondContact CG1-O 2.94Å; P33-E155 WeakPolarHBondContact O-CA 3.3Å; R35-E155 HydrophobicContact CB-CG 3.63Å; R35-E155 WeakPolarHBondContact CB-OE1 3.17Å; R35-E155 PolarHBondContact N-OE1 2.91Å; S38-E155 PolarHBondContact OG-OE2 2.96Å; R39-E155 IonicContact CZ-OE2 3.28Å; R39-E155 IonicContact NE-OE2 2.66Å; R39-E155 IonicContact NH2-OE2 3.74Å; R39-E155 PolarHBondContact NH2-OE2 3.18Å; S153-E155 PolarHBondContact O-N 2.89Å; S153-E155 VanDerWaalsContact O-N 3.12Å; S153-E155 PolarHBondContact OG-N 2.91Å
156	Q	76.6	Confident	58.1	Low	48 Å²	48	80.6 Å²	80.6	22%	0.224	43%	0.425	C	S	.	.	S	Bend	trans	-74.3	179.6	174.8	69.5	-159.2	-11.8	0	0	112.2	P33 S126 S153 H158	P33-Q156 WeakPolarHBondContact CD-O 3.02Å; S126-Q156 PolarHBondContact O-NE2 3.47Å; S153-Q156 WeakPolarHBondContact O-CG 3.36Å; S153-Q156 PolarHBondContact O-N 2.91Å; S153-Q156 PolarHBondContact O-NE2 3.29Å; Q156-H158 WeakPolarHBondContact CG-NE2 3.28Å; Q156-H158 PolarHBondContact N-NE2 2.86Å; Q156-H158 VanDerWaalsContact N-NE2 3.15Å; Q156-H158 CovalentContact O-CE1 1.86Å; Q156-H158 PolarHBondContact O-CE1 3.46Å; Q156-H158 PolarHBondContact O-ND1 2.89Å; Q156-H158 PolarHBondContact O-NE2 2.88Å
157	L	78.6	Confident	57	Low	44 Å²	44	80.7 Å²	80.7	23%	0.23	43%	0.433	C	S	.	.			trans	-69.9	135.8	174.1	-171.5	67.2	0	0	0	109.9	D30 V32 K144	D30-L157 HydrophobicContact CB-CD1 4.36Å; V32-L157 HydrophobicContact CG2-CD1 3.71Å; K144-L157 HydrophobicContact CB-CB 4.36Å; K144-L157 HydrophobicContact CB-CD2 4.29Å; K144-L157 HydrophobicContact CB-CG 4.09Å; K144-L157 HydrophobicContact CD-CD2 3.89Å; K144-L157 HydrophobicContact CD-CG 4.27Å; K144-L157 HydrophobicContact CG-CD2 4.44Å; K144-L157 PolarHBondContact N-O 2.03Å
158	H	81.8	Confident	56.4	Low	0 Å²	0	80.6 Å²	80.6	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	162.1	178.5	-67.2	73.9	0	0	0	110	D30 V31 P33 I128 I141 E142 S153 A154 Q156	D30-H158 WeakPolarHBondContact CA-O 3.32Å; V31-H158 HydrophobicContact CG1-CB 3.77Å; V31-H158 PolarHBondContact N-O 3.45Å; V31-H158 PolarHBondContact O-N 2.79Å; V31-H158 VanDerWaalsContact O-O 3.1Å; P33-H158 WeakPolarHBondContact CD-CE1 3.48Å; P33-H158 WeakPolarHBondContact CD-ND1 3.49Å; P33-H158 HydrophobicContact CG-CB 4.3Å; P33-H158 WeakPolarHBondContact CG-CE1 3.15Å; P33-H158 WeakPolarHBondContact CG-ND1 3.35Å; I128-H158 PolarHBondContact O-CD2 3.13Å; I141-H158 HydrophobicContact CD1-CB 4.31Å; I141-H158 HydrophobicContact CG1-CB 4.13Å; E142-H158 CarbonylContact O-C 3.56Å; E142-H158 WeakPolarHBondContact O-CA 3.23Å; E142-H158 WeakPolarHBondContact O-CB 3.2Å; S153-H158 PolarHBondContact O-NE2 2.97Å; A154-H158 PolarHBondContact O-NE2 2.8Å; Q156-H158 WeakPolarHBondContact CG-NE2 3.28Å; Q156-H158 PolarHBondContact N-NE2 2.86Å; Q156-H158 VanDerWaalsContact N-NE2 3.15Å; Q156-H158 CovalentContact O-CE1 1.86Å; Q156-H158 PolarHBondContact O-CE1 3.46Å; Q156-H158 PolarHBondContact O-ND1 2.89Å; Q156-H158 PolarHBondContact O-NE2 2.88Å
159	V	80.3	Confident	55.5	Low	17 Å²	17	87.9 Å²	87.9	10%	0.103	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	137.4	165	-176.2	0	0	0	0	107.6	I141 E142 K144 R161	I141-V159 WeakPolarHBondContact CA-O 3.46Å; E142-V159 HydrophobicContact CG-CB 4Å; E142-V159 PolarHBondContact N-O 2.95Å; E142-V159 PolarHBondContact O-N 3.31Å; K144-V159 HydrophobicContact CB-CG2 4.2Å; K144-V159 HydrophobicContact CD-CG2 3.67Å; K144-V159 HydrophobicContact CG-CG2 4.01Å; V159-R161 HydrophobicContact CG1-CG 4.06Å
160	I	75.5	Confident	54.6	Low	0 Å²	0	84.1 Å²	84.1	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.8	162.2	-57	-178.4	0	0	0	108.8	S28 E29 V31 L56 A58 F59 F132 Y139 L140 I141	S28-I160 VanDerWaalsContact CA-O 3.29Å; S28-I160 WeakPolarHBondContact CA-O 3.18Å; E29-I160 PolarHBondContact N-O 3.08Å; E29-I160 PolarHBondContact O-N 2.82Å; V31-I160 HydrophobicContact CB-CD1 4.19Å; V31-I160 HydrophobicContact CB-CG1 4.33Å; V31-I160 HydrophobicContact CG1-CD1 3.73Å; V31-I160 HydrophobicContact CG1-CG1 3.64Å; V31-I160 HydrophobicContact CG2-CD1 4.44Å; L56-I160 HydrophobicContact CB-CD1 3.77Å; L56-I160 HydrophobicContact CD1-CD1 3.8Å; L56-I160 HydrophobicContact CD2-CD1 4.31Å; L56-I160 HydrophobicContact CG-CD1 4.16Å; A58-I160 HydrophobicContact CB-CB 4.31Å; A58-I160 HydrophobicContact CB-CD1 3.94Å; F59-I160 HydrophobicContact CE2-CB 4.25Å; F59-I160 HydrophobicContact CE2-CG2 3.75Å; F59-I160 HydrophobicContact CZ-CG2 4.44Å; F59-I160 WeakPolarHBondContact CZ-O 3.32Å; F132-I160 HydrophobicContact CZ-CD1 4.42Å; Y139-I160 HydrophobicContact CD1-CG2 4.1Å; L140-I160 CarbonylContact O-C 3.52Å; L140-I160 WeakPolarHBondContact O-CA 2.98Å; L140-I160 WeakPolarHBondContact O-CG2 3.48Å; I141-I160 HydrophobicContact CB-CG1 4.16Å; I141-I160 HydrophobicContact CD1-CD1 4.24Å; I141-I160 HydrophobicContact CD1-CG1 4.15Å; I141-I160 HydrophobicContact CG1-CG1 4.1Å
161	R	67.5	Low	53.7	Low	88 Å²	88	80.1 Å²	80.1	33%	0.332	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.8	174.3	-45.2	-170.4	-163.5	-179.4	8.4	110.4	F26 E27 Y139 L140 E142 V159	F26-R161 HydrophobicContact CB-CB 4.46Å; F26-R161 HydrophobicContact CD1-CB 4.37Å; E27-R161 CarbonylContact O-C 3.48Å; E27-R161 WeakPolarHBondContact O-CA 3.48Å; Y139-R161 WeakPolarHBondContact CA-O 3.24Å; L140-R161 HydrophobicContact CB-CB 4.39Å; L140-R161 HydrophobicContact CD2-CG 4.48Å; L140-R161 PolarHBondContact N-O 3.29Å; L140-R161 PolarHBondContact O-N 2.81Å; E142-R161 IonicContact OE1-CZ 3.28Å; E142-R161 IonicContact OE1-NE 3.15Å; E142-R161 PolarHBondContact OE1-NE 2.96Å; E142-R161 IonicContact OE1-NH2 2.65Å; E142-R161 PolarHBondContact OE1-NH2 3.35Å; E142-R161 IonicContact OE2-CZ 3.33Å; E142-R161 IonicContact OE2-NE 3.1Å; E142-R161 IonicContact OE2-NH2 2.73Å; E142-R161 PolarHBondContact OE2-NH2 2.74Å; V159-R161 HydrophobicContact CG1-CG 4.06Å
162	R	64.8	Low	52.4	Low	38 Å²	38	83.6 Å²	83.6	14%	0.143	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.7	179	177	176.3	76.9	-179.1	0.4	110.3	F26 E27 F59 Y139	F26-R162 CarbonylContact C-O 3.57Å; F26-R162 WeakPolarHBondContact CA-O 3.26Å; E27-R162 VanDerWaalsContact CD-NH2 3.34Å; E27-R162 PolarHBondContact N-O 3.3Å; E27-R162 PolarHBondContact O-N 2.77Å; E27-R162 IonicContact OE1-NH2 3.27Å; E27-R162 PolarHBondContact OE1-NH2 3.02Å; E27-R162 IonicContact OE2-CZ 3.17Å; E27-R162 VanDerWaalsContact OE2-CZ 3.28Å; E27-R162 IonicContact OE2-NE 3.15Å; E27-R162 PolarHBondContact OE2-NE 3.46Å; E27-R162 VanDerWaalsContact OE2-NE 3.15Å; E27-R162 IonicContact OE2-NH2 3Å; E27-R162 PolarHBondContact OE2-NH2 3.28Å; F59-R162 VanDerWaalsContact CB-CZ 3.42Å; F59-R162 VanDerWaalsContact CB-NH1 3.27Å; F59-R162 HydrophobicContact CD2-CB 4Å; F59-R162 HydrophobicContact CE1-CB 4.18Å; F59-R162 HydrophobicContact CE2-CB 3.52Å; F59-R162 HydrophobicContact CG-CB 4.49Å; F59-R162 HydrophobicContact CZ-CB 3.63Å; Y139-R162 HydrophobicContact CD1-CB 4.23Å; Y139-R162 HydrophobicContact CD1-CG 4.45Å; Y139-R162 HydrophobicContact CE1-CB 4.3Å; Y139-R162 HydrophobicContact CE1-CG 4.15Å
163	R	52.4	Low	51	Low	90 Å²	90	85.6 Å²	85.6	34%	0.34	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	138	179.5	-168	170.5	175.7	169.6	-2.2	111.8	F26	F26-R163 HydrophobicContact CD1-CB 4Å; F26-R163 HydrophobicContact CE1-CB 3.81Å; F26-R163 HydrophobicContact CE1-CG 4.17Å; F26-R163 HydrophobicContact CZ-CG 4.44Å
164	I	48.2	Very low	49.1	Very low	97 Å²	97	91.7 Å²	91.7	50%	0.497	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-97.4	134	170.8	-57.4	176.1	0	0	0	109	Q25 E27	Q25-I164 PolarHBondContact O-N 3.17Å; E27-I164 HydrophobicContact CB-CD1 4.3Å; E27-I164 HydrophobicContact CB-CG1 4.46Å
165	L	39.6	Very low	47	Very low	115 Å²	115	101.1 Å²	101.1	60%	0.602	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-104	146.7	173.1	-70.1	173.1	0	0	0	110.4
166	A	30.3	Very low	44.6	Very low	106 Å²	106	106.3 Å²	106.3	88%	0.876	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-82.3	117.9	174.1	0	0	0	0	0	110.5
167	E	28.4	Very low	42	Very low	183 Å²	183	108 Å²	108	86%	0.855	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-74.5	143.5	179.2	-65.6	-171.1	131.5	0	0	113.3
168	N	26.2	Very low	39.3	Very low	135 Å²	135	110.9 Å²	110.9	72%	0.722	62%	0.621	S	S	*	*			trans	-157.3	119.4	137.6	-114.7	-52.5	0	0	0	113.8
169	R	26.7	Very low	36.5	Very low	229 Å²	229	115.6 Å²	115.6	86%	0.864	66%	0.66	S	S	*	*			trans	44.7	92.6	144.9	-62.1	170	-167.7	-139.4	-5.2	117.8
170	G	23.4	Very low	33.8	Very low	81 Å²	81	124.2 Å²	124.2	84%	0.835	70%	0.699	S	S	*	*			trans	-74.7	174.1	164.3	0	0	0	0	0	114.5
171	V	22.1	Very low	31.2	Very low	134 Å²	134	130.5 Å²	130.5	81%	0.812	74%	0.737	S	S	*	*			trans	-126.1	141.9	173.9	178.6	0	0	0	0	108.2
172	P	24.1	Very low	29.2	Very low	123 Å²	123	134.8 Å²	134.8	80%	0.799	77%	0.766	S	S	*	*			trans	-72.5	137.2	-171.6	-17.5	32	0	0	0	113.7
173	L	24.5	Very low	27.1	Very low	176 Å²	176	136.9 Å²	136.9	92%	0.921	80%	0.8	S	S	*	*			trans	-87.2	141.1	165.2	-72.5	173	0	0	0	110.9
174	L	22.7	Very low	25.7	Very low	159 Å²	159	137.6 Å²	137.6	83%	0.832	83%	0.825	S	S	*	*			trans	-134.3	127.4	163.6	-85.7	168	0	0	0	107.6
175	F	22.3	Very low	24.5	Very low	206 Å²	206	142 Å²	142	90%	0.904	84%	0.843	S	S	*	*				-173.3	140.3	127.1	-102.9	-66.8	0	0	0	110.3
176	N	21.2	Very low	23.6	Very low	163 Å²	163	141.3 Å²	141.3	87%	0.872	85%	0.848	S	S	*	*			trans	-84.2	147.3	172.2	-82.7	-21.8	0	0	0	110.4
177	G	21.8	Very low	23.3	Very low	83 Å²	83	145.9 Å²	145.9	86%	0.856	85%	0.849	S	S	*	*			trans	-83.8	-173.6	-179.7	0	0	0	0	0	114.7
178	A	21.9	Very low	23	Very low	105 Å²	105	142.4 Å²	142.4	87%	0.868	84%	0.84	S	S	*	*			trans	-149.3	137.2	160.5	0	0	0	0	0	108.4
179	A	22.9	Very low	22.9	Very low	100 Å²	100	145.2 Å²	145.2	83%	0.826	85%	0.848	S	S	*	*			trans	-132.5	126.7	169.7	0	0	0	0	0	107.5
180	E	22.4	Very low	22.7	Very low	197 Å²	197	137.7 Å²	137.7	92%	0.921	84%	0.843	S	S	*	*			trans	-117.1	136.7	179.2	-68.6	-164.9	136.3	0	0	110.9
181	T	22.6	Very low	22.8	Very low	132 Å²	132	137.9 Å²	137.9	81%	0.81	84%	0.844	S	S	*	*			trans	-109.5	131.5	-171.6	47.2	0	0	0	0	110.9
182	L	23.8	Very low	23	Very low	178 Å²	178	137.3 Å²	137.3	93%	0.932	85%	0.846	S	S	*	*			trans	-145.8	132.1	170.1	-78.7	-179	0	0	0	113.6
183	G	22.6	Very low	23.2	Very low	83 Å²	83	139.4 Å²	139.4	86%	0.856	85%	0.851	S	S	*	*			trans	66.4	97.4	141.9	0	0	0	0	0	118.7
184	A	22.7	Very low	23.3	Very low	104 Å²	104	135.2 Å²	135.2	86%	0.86	84%	0.841	S	S	*	*			trans	-104.5	133.3	163.2	0	0	0	0	0	111.2
185	E	22.4	Very low	23.9	Very low	189 Å²	189	139.7 Å²	139.7	88%	0.883	85%	0.847	S	S	*	*			trans	-129.2	141.9	159	-70.9	-163	148.7	0	0	108.7
186	S	21.1	Very low	24.2	Very low	101 Å²	101	141 Å²	141	71%	0.706	85%	0.846	S	S	*	*			trans	-115.6	140.6	-173.1	76.6	0	0	0	0	112.5
187	F	22.6	Very low	24.6	Very low	203 Å²	203	142.6 Å²	142.6	89%	0.89	85%	0.848	S	S	*	*			trans	-133.3	136.3	164.6	-79.9	-80.3	0	0	0	110
188	T	22	Very low	25	Very low	110 Å²	110	142.5 Å²	142.5	68%	0.675	84%	0.839	S	S	*	*			trans	-108.1	175.5	-168.1	47	0	0	0	0	112.5
189	H	25.2	Very low	25.8	Very low	193 Å²	193	148.5 Å²	148.5	89%	0.894	84%	0.839	S	S	*	*			trans	82.4	141.1	-177.4	-49.2	-69	0	0	0	115.5
190	G	23.1	Very low	26.8	Very low	72 Å²	72	151.6 Å²	151.6	74%	0.742	83%	0.83	S	S	*	*			cis	-175.9	141.2	-5.6	0	0	0	0	0	111.3
191	G	24.7	Very low	28	Very low	84 Å²	84	148.7 Å²	148.7	87%	0.866	81%	0.814	S	S	*	*			trans	-84.2	149	-175.7	0	0	0	0	0	114
192	S	25.6	Very low	29.4	Very low	122 Å²	122	147.9 Å²	147.9	85%	0.853	80%	0.796	S	S	*	*			trans	-154.2	131.3	158	56.8	0	0	0	0	110.5
193	D	28.8	Very low	31.4	Very low	168 Å²	168	140 Å²	140	90%	0.898	76%	0.755	S	S	*	*			trans	-74.1	140.5	177.9	-92.9	-67.4	0	0	0	112.5
194	A	26	Very low	33.6	Very low	88 Å²	88	136.6 Å²	136.6	73%	0.727	72%	0.717	S	S	*	*			trans	-151.7	101.3	162	0	0	0	0	0	110.7	R196	A194-R196 PolarHBondContact O-N 3.02Å
195	R	36.6	Very low	36.3	Very low	252 Å²	252	131.7 Å²	131.7	95%	0.951	68%	0.676	S	S	*	*			trans	-60.3	119	174.5	-69.8	180	177.7	177.3	-2.3	110.4
196	R	27.1	Very low	39.1	Very low	235 Å²	235	124.9 Å²	124.9	89%	0.887	65%	0.645	S	S	*	*			trans	-136.3	144.3	163.4	-77.7	-176.4	166.4	171.8	-3.9	108.3	A194 A198	A194-R196 PolarHBondContact O-N 3.02Å; R196-A198 PolarHBondContact O-N 2.88Å
197	E	30.3	Very low	42	Very low	196 Å²	196	121.7 Å²	121.7	92%	0.916	62%	0.621	S	S	*	*			trans	-54.2	126.1	177.9	-65.3	173.9	122.8	0	0	110.2	R199	E197-R199 PolarHBondContact O-N 2.86Å; E197-R199 VanDerWaalsContact O-N 3.12Å
198	A	29.8	Very low	45.1	Very low	80 Å²	80	112.6 Å²	112.6	66%	0.661	58%	0.581	S	S	*	*			trans	-72.9	111.1	-169.4	0	0	0	0	0	110.7	R196 R200	R196-A198 PolarHBondContact O-N 2.88Å; A198-R200 PolarHBondContact O-N 2.77Å
199	R	39.8	Very low	48.2	Very low	231 Å²	231	108.7 Å²	108.7	87%	0.872	56%	0.555	S	S	*	*			trans	-52.9	125.3	149.8	-71.3	-179.1	177.8	162.7	1.3	107	E197 K201	E197-R199 PolarHBondContact O-N 2.86Å; E197-R199 VanDerWaalsContact O-N 3.12Å; R199-K201 PolarHBondContact O-N 2.94Å
200	R	42.9	Very low	51.5	Low	165 Å²	165	99.5 Å²	99.5	62%	0.623	51%	0.512	S	S	*	.			trans	-40.1	112.6	173.9	-80.8	175.1	157.1	-139.6	0.1	110.2	A198 D411	A198-R200 PolarHBondContact O-N 2.77Å; R200-D411 IonicContact CZ-OD1 3.37Å; R200-D411 IonicContact CZ-OD2 3.66Å; R200-D411 VanDerWaalsContact NH1-CG 3.32Å; R200-D411 IonicContact NH1-OD1 3.48Å; R200-D411 PolarHBondContact NH1-OD1 2.71Å; R200-D411 IonicContact NH1-OD2 3.32Å; R200-D411 PolarHBondContact NH1-OD2 2.9Å; R200-D411 IonicContact NH2-OD1 3.78Å; R200-D411 IonicContact NH2-OD2 2.65Å; R200-D411 PolarHBondContact NH2-OD2 3.01Å
201	K	47.5	Very low	54.7	Low	137 Å²	137	96.9 Å²	96.9	60%	0.596	48%	0.48	S	S	*	.			trans	-78.5	138	178.4	-52.1	172.9	-174.9	164.9	0	106.8	R199 V204	R199-K201 PolarHBondContact O-N 2.94Å; K201-V204 HydrophobicContact CB-CB 4.33Å; K201-V204 HydrophobicContact CB-CG2 3.54Å
202	R	53.4	Low	58	Low	115 Å²	115	92.9 Å²	92.9	43%	0.434	44%	0.439	S	S	.	.	S	Bend	trans	-114.5	148.1	-176.8	-62.8	168.8	177.1	-167.9	4.3	109.1	V204 C647	R202-V204 VanDerWaalsContact C-N 3.28Å; R202-V204 WeakPolarHBondContact O-CG2 3.05Å; R202-V204 PolarHBondContact O-N 3.2Å; R202-C647 PolarHBondContact NH1-O 3.29Å
203	F	64.4	Low	61.3	Low	13 Å²	13	87 Å²	87	6%	0.057	40%	0.399	C	S	.	.	S	Bend	trans	60.8	38.9	-178.2	-40.5	-72.1	0	0	0	112.7	D406 Q553 R554 Y557 Q644	F203-D406 HydrophobicContact CD1-CB 3.91Å; F203-D406 HydrophobicContact CE1-CB 4.38Å; F203-Q553 WeakPolarHBondContact O-CA 3.45Å; F203-R554 WeakPolarHBondContact O-CG 2.99Å; F203-R554 PolarHBondContact O-N 2.71Å; F203-R554 VanDerWaalsContact O-N 3.11Å; F203-Y557 HydrophobicContact CB-CE2 4.16Å; F203-Y557 HydrophobicContact CD1-CE2 4.1Å; F203-Y557 HydrophobicContact CD2-CD2 4.14Å; F203-Y557 AromaticContact CD2-CE2 3.5Å; F203-Y557 HydrophobicContact CD2-CE2 3.5Å; F203-Y557 VanDerWaalsContact CD2-CE2 3.5Å; F203-Y557 HydrophobicContact CE1-CE2 4.43Å; F203-Y557 HydrophobicContact CE2-CD2 4.4Å; F203-Y557 AromaticContact CE2-CE2 3.86Å; F203-Y557 HydrophobicContact CE2-CE2 3.86Å; F203-Y557 AromaticContact CG-CE2 3.63Å; F203-Y557 HydrophobicContact CG-CE2 3.63Å; F203-Y557 HydrophobicContact CZ-CE2 4.31Å; F203-Q644 HydrophobicContact CE1-CB 3.85Å; F203-Q644 HydrophobicContact CE1-CG 4.45Å; F203-Q644 HydrophobicContact CZ-CB 4.15Å
204	V	69.6	Low	64.5	Low	11 Å²	11	79 Å²	79	7%	0.067	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125	-177.4	-172.9	0	0	0	0	107.9	K201 R202 E206 G552 Q553	K201-V204 HydrophobicContact CB-CB 4.33Å; K201-V204 HydrophobicContact CB-CG2 3.54Å; R202-V204 VanDerWaalsContact C-N 3.28Å; R202-V204 WeakPolarHBondContact O-CG2 3.05Å; R202-V204 PolarHBondContact O-N 3.2Å; V204-E206 HydrophobicContact CB-CG 4.08Å; V204-E206 HydrophobicContact CG1-CG 3.63Å; V204-E206 PolarHBondContact O-N 3.03Å; V204-G552 CarbonylContact C-O 3.3Å; V204-G552 WeakPolarHBondContact CA-O 3.46Å; V204-G552 VanDerWaalsContact CG1-C 3.44Å; V204-Q553 HydrophobicContact CG2-CG 3.86Å
205	S	79.5	Confident	67.8	Low	1 Å²	1	74.9 Å²	74.9	1%	0.007	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	115.5	163.6	-169.2	0	0	0	0	107.5	C550 E551 G552 R554	S205-C550 WeakPolarHBondContact CB-O 3.44Å; S205-C550 PolarHBondContact OG-O 2.98Å; S205-E551 CarbonylContact O-C 3.54Å; S205-E551 VanDerWaalsContact O-CA 3.28Å; S205-E551 WeakPolarHBondContact O-CA 3.39Å; S205-G552 PolarHBondContact N-O 3.18Å; S205-G552 PolarHBondContact O-N 2.87Å; S205-R554 PolarHBondContact OG-NH2 3.22Å
206	E	80.1	Confident	70.5	Confident	46 Å²	46	62.9 Å²	62.9	22%	0.215	28%	0.276	C	S	.	.			trans	-130.4	150.3	178.4	-69.7	173.1	157.9	0	0	106.2	V204 R208	V204-E206 HydrophobicContact CB-CG 4.08Å; V204-E206 HydrophobicContact CG1-CG 3.63Å; V204-E206 PolarHBondContact O-N 3.03Å; E206-R208 PolarHBondContact O-N 3.37Å; E206-R208 IonicContact OE2-CZ 3.4Å; E206-R208 IonicContact OE2-NH1 3.92Å; E206-R208 IonicContact OE2-NH2 3.93Å; E206-R208 PolarHBondContact OE2-NH2 2.63Å
207	P	82.3	Confident	73.7	Confident	33 Å²	33	51.8 Å²	51.8	21%	0.214	23%	0.234	C	C	.	.			trans	-60.4	137.1	176	27.5	-34.6	0	0	0	110.1	F209	P207-F209 HydrophobicContact CB-CE2 3.76Å; P207-F209 HydrophobicContact CB-CZ 4.03Å; P207-F209 HydrophobicContact CG-CE2 4.12Å
208	R	87.4	Confident	76.5	Confident	13 Å²	13	43 Å²	43	5%	0.049	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.1	171.8	-62.2	-74.3	167.1	-92.6	7.3	108.1	E206 S251 N253 F405 L413	E206-R208 PolarHBondContact O-N 3.37Å; E206-R208 IonicContact OE2-CZ 3.4Å; E206-R208 IonicContact OE2-NH1 3.92Å; E206-R208 IonicContact OE2-NH2 3.93Å; E206-R208 PolarHBondContact OE2-NH2 2.63Å; R208-S251 PolarHBondContact N-O 2.92Å; R208-N253 PolarHBondContact O-N 3.31Å; R208-N253 PolarHBondContact O-ND2 2.97Å; R208-N253 VanDerWaalsContact O-ND2 3.08Å; R208-F405 HydrophobicContact CB-CE2 4.35Å; R208-F405 HydrophobicContact CB-CZ 4.16Å; R208-F405 HydrophobicContact CG-CD1 4.26Å; R208-F405 HydrophobicContact CG-CD2 3.96Å; R208-F405 HydrophobicContact CG-CE1 4.12Å; R208-F405 HydrophobicContact CG-CE2 3.78Å; R208-F405 HydrophobicContact CG-CG 4.2Å; R208-F405 HydrophobicContact CG-CZ 3.86Å; R208-L413 VanDerWaalsContact CA-O 3.31Å; R208-L413 WeakPolarHBondContact CA-O 3.27Å; R208-L413 HydrophobicContact CB-CB 4.04Å; R208-L413 HydrophobicContact CB-CD1 4.25Å; R208-L413 HydrophobicContact CG-CB 4.47Å
209	F	88.4	Confident	79.3	Confident	27 Å²	27	40.8 Å²	40.8	12%	0.118	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.8	175	-59.6	-90	0	0	0	107.2	P207 N253 V255 L413 D415 V416 P417	P207-F209 HydrophobicContact CB-CE2 3.76Å; P207-F209 HydrophobicContact CB-CZ 4.03Å; P207-F209 HydrophobicContact CG-CE2 4.12Å; F209-N253 CarbonylContact C-O 3.41Å; F209-N253 WeakPolarHBondContact CA-O 3.33Å; F209-N253 HydrophobicContact CD1-CB 3.72Å; F209-N253 HydrophobicContact CE1-CB 4Å; F209-N253 HydrophobicContact CG-CB 4.5Å; F209-V255 HydrophobicContact CD1-CG2 4.3Å; F209-L413 PolarHBondContact N-O 3.3Å; F209-L413 VanDerWaalsContact O-CA 3.28Å; F209-L413 WeakPolarHBondContact O-CA 3.41Å; F209-L413 VanDerWaalsContact O-CB 3.26Å; F209-L413 WeakPolarHBondContact O-CB 3.48Å; F209-L413 WeakPolarHBondContact O-CD2 3.32Å; F209-D415 WeakPolarHBondContact CD2-O 3.4Å; F209-V416 HydrophobicContact CD2-CG2 4.33Å; F209-V416 HydrophobicContact CE1-CG1 4.43Å; F209-V416 HydrophobicContact CE2-CB 4.3Å; F209-V416 HydrophobicContact CE2-CG1 4.12Å; F209-V416 HydrophobicContact CE2-CG2 3.8Å; F209-V416 HydrophobicContact CZ-CG1 3.96Å; F209-V416 HydrophobicContact CZ-CG2 4.41Å; F209-P417 HydrophobicContact CB-CG 4.34Å; F209-P417 HydrophobicContact CD1-CG 4.1Å; F209-P417 HydrophobicContact CG-CG 4.37Å
210	I	93.3	Very high	81.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	101.1	178.3	-61.5	174.2	0	0	0	106.2	T212 V252 N253 I254 V255 T302 M328 L353 L357 L413	I210-T212 PolarHBondContact O-N 3.27Å; I210-T212 PolarHBondContact O-OG1 2.88Å; I210-V252 HydrophobicContact CD1-CG1 3.62Å; I210-V252 HydrophobicContact CG1-CG1 4.32Å; I210-N253 PolarHBondContact N-O 3.04Å; I210-I254 HydrophobicContact CB-CD1 4.06Å; I210-I254 HydrophobicContact CD1-CD1 3.74Å; I210-I254 HydrophobicContact CG1-CD1 4.33Å; I210-V255 PolarHBondContact O-N 2.86Å; I210-T302 HydrophobicContact CG2-CG2 3.77Å; I210-M328 HydrophobicContact CD1-CE 4.13Å; I210-M328 HydrophobicContact CG1-CE 4.44Å; I210-M328 HydrophobicContact CG2-CE 3.91Å; I210-M328 HydrophobicContact CG2-SD 4.22Å; I210-L353 HydrophobicContact CD1-CD1 4.5Å; I210-L353 HydrophobicContact CD1-CD2 4.4Å; I210-L353 HydrophobicContact CG2-CD1 4.39Å; I210-L357 HydrophobicContact CD1-CD1 3.9Å; I210-L357 HydrophobicContact CD1-CD2 4.22Å; I210-L413 HydrophobicContact CB-CD2 4.49Å; I210-L413 HydrophobicContact CD1-CD1 4.34Å; I210-L413 HydrophobicContact CG1-CD1 3.84Å; I210-L413 HydrophobicContact CG1-CD2 3.93Å; I210-L413 HydrophobicContact CG1-CG 4.43Å
211	E	91.5	Very high	83.3	Confident	17 Å²	17	22.8 Å²	22.8	8%	0.079	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	116.5	175.6	-65.3	-162.5	136.4	0	0	108.8	V255 V257 H299 Y300 D301 T302	E211-V255 WeakPolarHBondContact CA-O 2.99Å; E211-V257 HydrophobicContact CB-CG1 3.79Å; E211-V257 HydrophobicContact CG-CG1 3.99Å; E211-H299 IonicContact OE2-CD2 3.7Å; E211-Y300 CarbonylContact O-C 3.59Å; E211-Y300 WeakPolarHBondContact O-CA 3.24Å; E211-Y300 VanDerWaalsContact O-CB 3.26Å; E211-Y300 WeakPolarHBondContact O-CB 3.5Å; E211-D301 PolarHBondContact N-OD2 2.97Å; E211-D301 PolarHBondContact O-N 3.19Å; E211-T302 PolarHBondContact O-N 3.47Å; E211-T302 VanDerWaalsContact O-N 3.16Å
212	T	93.9	Very high	84.8	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.7	-167.6	-53.5	0	0	0	0	111.8	I210 M236 V255 V256 V257 T302 M304	I210-T212 PolarHBondContact O-N 3.27Å; I210-T212 PolarHBondContact O-OG1 2.88Å; T212-M236 HydrophobicContact CG2-CE 3.79Å; T212-V255 PolarHBondContact N-O 2.86Å; T212-V256 WeakPolarHBondContact O-CA 3.45Å; T212-V257 WeakPolarHBondContact O-CG2 3.34Å; T212-V257 PolarHBondContact O-N 2.93Å; T212-T302 WeakPolarHBondContact CA-O 3.46Å; T212-T302 HydrophobicContact CG2-CG2 4.13Å; T212-M304 HydrophobicContact CG2-CE 4.41Å; T212-M304 HydrophobicContact CG2-CG 4.13Å; T212-M304 HydrophobicContact CG2-SD 4.22Å
213	L	95.3	Very high	85.6	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.9	159.3	166.5	63.5	0	0	0	109.3	V215 K258 L260 Q286 Y300 T302 A303 M304	L213-V215 HydrophobicContact CD1-CG2 3.98Å; L213-V215 HydrophobicContact CD2-CG2 3.73Å; L213-V215 HydrophobicContact CG-CG2 3.65Å; L213-K258 HydrophobicContact CD1-CB 4.09Å; L213-K258 HydrophobicContact CD1-CG 4.25Å; L213-L260 HydrophobicContact CD1-CB 4.36Å; L213-L260 HydrophobicContact CD1-CD1 3.96Å; L213-L260 HydrophobicContact CD1-CG 3.84Å; L213-L260 HydrophobicContact CD2-CD1 4.01Å; L213-Q286 HydrophobicContact CD2-CB 4.37Å; L213-Y300 HydrophobicContact CB-CD1 3.81Å; L213-Y300 HydrophobicContact CB-CD2 3.6Å; L213-Y300 HydrophobicContact CB-CE1 3.93Å; L213-Y300 HydrophobicContact CB-CE2 3.71Å; L213-Y300 HydrophobicContact CB-CG 3.65Å; L213-Y300 HydrophobicContact CD2-CD2 4.42Å; L213-Y300 HydrophobicContact CD2-CE1 3.98Å; L213-Y300 HydrophobicContact CD2-CE2 3.64Å; L213-Y300 WeakPolarHBondContact CD2-OH 3.35Å; L213-Y300 HydrophobicContact CG-CE1 4.43Å; L213-Y300 HydrophobicContact CG-CE2 4.31Å; L213-T302 PolarHBondContact N-O 3.38Å; L213-A303 HydrophobicContact CB-CB 4.13Å; L213-A303 HydrophobicContact CD2-CB 4.11Å; L213-A303 HydrophobicContact CG-CB 4.34Å; L213-A303 WeakPolarHBondContact O-CA 3.43Å; L213-M304 PolarHBondContact O-N 3.46Å
214	A	95.1	Very high	85.6	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.1	167.3	0	0	0	0	0	110.6	V232 M236 V256 K258 M259 L260	A214-V232 HydrophobicContact CB-CG1 3.74Å; A214-M236 HydrophobicContact CB-CG 4.38Å; A214-V256 HydrophobicContact CB-CG1 4.37Å; A214-K258 PolarHBondContact N-O 2.83Å; A214-K258 VanDerWaalsContact N-O 3.08Å; A214-M259 CarbonylContact O-C 3.56Å; A214-M259 VanDerWaalsContact O-CA 3.27Å; A214-M259 WeakPolarHBondContact O-CA 3.48Å; A214-L260 PolarHBondContact O-N 2.89Å
215	V	96.3	Very high	85.8	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.4	-178.7	-170.9	0	0	0	0	109.9	L213 L260 V262 F282 W285 M304 L305 F306	L213-V215 HydrophobicContact CD1-CG2 3.98Å; L213-V215 HydrophobicContact CD2-CG2 3.73Å; L213-V215 HydrophobicContact CG-CG2 3.65Å; V215-L260 WeakPolarHBondContact CA-O 3.27Å; V215-L260 HydrophobicContact CG1-CB 4.14Å; V215-L260 HydrophobicContact CG2-CB 4.22Å; V215-L260 HydrophobicContact CG2-CD1 4.43Å; V215-V262 HydrophobicContact CG1-CG2 4.41Å; V215-F282 HydrophobicContact CB-CE2 4.17Å; V215-F282 HydrophobicContact CB-CZ 4.41Å; V215-F282 HydrophobicContact CG1-CE2 4.48Å; V215-F282 HydrophobicContact CG2-CE2 3.84Å; V215-F282 HydrophobicContact CG2-CZ 3.96Å; V215-W285 HydrophobicContact CG1-CH2 4.06Å; V215-W285 HydrophobicContact CG1-CZ3 3.91Å; V215-W285 HydrophobicContact CG2-CZ3 4.26Å; V215-M304 PolarHBondContact N-O 2.87Å; V215-L305 HydrophobicContact CB-CD1 3.8Å; V215-L305 HydrophobicContact CG1-CD1 3.63Å; V215-F306 PolarHBondContact O-N 2.83Å
216	A	93	Very high	85	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.5	164.2	0	0	0	0	0	109.2	M220 I228 V232 M259 L260 V262	A216-M220 HydrophobicContact CB-CB 3.98Å; A216-I228 HydrophobicContact CB-CD1 3.79Å; A216-I228 HydrophobicContact CB-CG1 3.59Å; A216-V232 HydrophobicContact CB-CG2 4.32Å; A216-M259 HydrophobicContact CB-CE 4.46Å; A216-L260 PolarHBondContact N-O 3.39Å; A216-V262 WeakPolarHBondContact O-CB 3.03Å; A216-V262 PolarHBondContact O-N 2.86Å
217	D	93.3	Very high	84.1	Confident	3 Å²	3	31.3 Å²	31.3	2%	0.016	17%	0.166	C	C	.	.			trans	-77.4	-177.7	176.1	77.8	-24.3	0	0	0	112.9	T219 M220 T221 V262 L271 L305 F306 T307	D217-T219 VanDerWaalsContact C-N 3.33Å; D217-T219 PolarHBondContact O-N 2.89Å; D217-T219 PolarHBondContact OD1-N 2.76Å; D217-T219 PolarHBondContact OD1-OG1 3.3Å; D217-T219 WeakPolarHBondContact OD2-CB 3.31Å; D217-T219 WeakPolarHBondContact OD2-CG2 3.3Å; D217-T219 PolarHBondContact OD2-N 3.11Å; D217-T219 PolarHBondContact OD2-OG1 3.47Å; D217-M220 PolarHBondContact O-N 2.54Å; D217-M220 VanDerWaalsContact OD1-CB 3.23Å; D217-M220 WeakPolarHBondContact OD1-CB 3.23Å; D217-M220 WeakPolarHBondContact OD1-CG 3.49Å; D217-M220 PolarHBondContact OD1-N 2.65Å; D217-T221 PolarHBondContact O-N 3.27Å; D217-T221 PolarHBondContact O-OG1 2.89Å; D217-V262 CarbonylContact C-O 3.46Å; D217-L271 HydrophobicContact CB-CD1 4.23Å; D217-L271 VanDerWaalsContact OD2-CD1 3.26Å; D217-L271 WeakPolarHBondContact OD2-CD1 3.34Å; D217-L305 HydrophobicContact CB-CD1 4.28Å; D217-F306 PolarHBondContact N-O 2.8Å; D217-T307 VanDerWaalsContact OD2-CB 3.3Å; D217-T307 WeakPolarHBondContact OD2-CB 3.28Å; D217-T307 PolarHBondContact OD2-OG1 3.31Å
218	S	90.1	Very high	83.6	Confident	12 Å²	12	29.9 Å²	29.9	8%	0.084	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-35.5	174.8	50.8	0	0	0	0	112.8	T221 H222 V262	S218-T221 WeakPolarHBondContact CA-OG1 3.26Å; S218-T221 PolarHBondContact O-N 2.93Å; S218-T221 PolarHBondContact O-OG1 3.18Å; S218-H222 WeakPolarHBondContact O-CB 3.35Å; S218-H222 PolarHBondContact O-N 3.11Å; S218-H222 PolarHBondContact O-ND1 3.46Å; S218-V262 WeakPolarHBondContact CA-O 3.27Å
219	T	87.8	Confident	82.7	Confident	32 Å²	32	32.4 Å²	32.4	20%	0.196	17%	0.167	C	C	.	.	H	α-helix	trans	-69.4	-36.7	-178.5	72	0	0	0	0	111.9	D217 F223 T307 R308 E309	D217-T219 VanDerWaalsContact C-N 3.33Å; D217-T219 PolarHBondContact O-N 2.89Å; D217-T219 PolarHBondContact OD1-N 2.76Å; D217-T219 PolarHBondContact OD1-OG1 3.3Å; D217-T219 WeakPolarHBondContact OD2-CB 3.31Å; D217-T219 WeakPolarHBondContact OD2-CG2 3.3Å; D217-T219 PolarHBondContact OD2-N 3.11Å; D217-T219 PolarHBondContact OD2-OG1 3.47Å; T219-F223 WeakPolarHBondContact O-CB 3.46Å; T219-F223 PolarHBondContact O-N 2.99Å; T219-F223 VanDerWaalsContact O-N 3.09Å; T219-T307 PolarHBondContact OG1-OG1 2.8Å; T219-R308 WeakPolarHBondContact OG1-CB 3.26Å; T219-R308 PolarHBondContact OG1-N 2.86Å; T219-E309 HydrophobicContact CG2-CG 4.07Å
220	M	84.4	Confident	81.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.7	-43.4	171.6	-72	-74.8	-73.7	0	0	112.3	A216 D217 F223 Y224 I228 Y231 V232 F306 R308 D340	A216-M220 HydrophobicContact CB-CB 3.98Å; D217-M220 PolarHBondContact O-N 2.54Å; D217-M220 VanDerWaalsContact OD1-CB 3.23Å; D217-M220 WeakPolarHBondContact OD1-CB 3.23Å; D217-M220 WeakPolarHBondContact OD1-CG 3.49Å; D217-M220 PolarHBondContact OD1-N 2.65Å; M220-F223 PolarHBondContact O-N 2.82Å; M220-Y224 HydrophobicContact CE-CD2 4.11Å; M220-Y224 HydrophobicContact CE-CE2 3.96Å; M220-Y224 PolarHBondContact O-N 3.11Å; M220-Y224 HydrophobicContact SD-CD2 4.24Å; M220-Y224 HydrophobicContact SD-CE2 4Å; M220-I228 HydrophobicContact CB-CD1 3.81Å; M220-I228 HydrophobicContact CE-CD1 3.64Å; M220-Y231 HydrophobicContact CE-CD1 3.67Å; M220-Y231 HydrophobicContact CE-CE1 3.71Å; M220-V232 HydrophobicContact CE-CG2 4.28Å; M220-F306 HydrophobicContact CE-CB 3.71Å; M220-F306 HydrophobicContact CG-CB 4.43Å; M220-F306 WeakPolarHBondContact CG-O 3.37Å; M220-F306 HydrophobicContact SD-CB 4.37Å; M220-R308 HydrophobicContact CG-CG 4.12Å; M220-R308 VanDerWaalsContact SD-CD 3.51Å; M220-R308 HydrophobicContact SD-CG 3.75Å; M220-D340 HydrophobicContact CE-CB 4.05Å; M220-D340 HydrophobicContact SD-CB 3.38Å; M220-D340 WeakPolarHBondContact SD-CB 3.38Å
221	T	82.4	Confident	80.1	Confident	19 Å²	19	32 Å²	32	12%	0.117	17%	0.166	C	C	.	.	H	α-helix	trans	-69.5	-36.6	177.8	56.1	0	0	0	0	112.4	D217 S218 F223 G225 I228 V261 V262	D217-T221 PolarHBondContact O-N 3.27Å; D217-T221 PolarHBondContact O-OG1 2.89Å; S218-T221 WeakPolarHBondContact CA-OG1 3.26Å; S218-T221 PolarHBondContact O-N 2.93Å; S218-T221 PolarHBondContact O-OG1 3.18Å; T221-F223 VanDerWaalsContact C-N 3.3Å; T221-F223 PolarHBondContact O-N 2.82Å; T221-G225 VanDerWaalsContact O-CA 3.32Å; T221-G225 WeakPolarHBondContact O-CA 3.43Å; T221-G225 PolarHBondContact O-N 2.94Å; T221-I228 HydrophobicContact CG2-CG1 4.41Å; T221-I228 HydrophobicContact CG2-CG2 4.34Å; T221-V261 HydrophobicContact CG2-CG1 3.43Å; T221-V261 VanDerWaalsContact CG2-CG1 3.43Å; T221-V262 WeakPolarHBondContact CG2-O 3.08Å; T221-V262 PolarHBondContact OG1-O 3.21Å
222	H	78.3	Confident	79.3	Confident	153 Å²	153	31.2 Å²	31.2	71%	0.708	16%	0.162	S	C	*	.	H	α-helix	trans	-64.7	-31.5	172.9	-78.7	70	0	0	0	113	S218	S218-H222 WeakPolarHBondContact O-CB 3.35Å; S218-H222 PolarHBondContact O-N 3.11Å; S218-H222 PolarHBondContact O-ND1 3.46Å
223	F	70.8	Confident	78.2	Confident	105 Å²	105	31.2 Å²	31.2	46%	0.461	16%	0.162	S	C	.	.	H	α-helix	trans	-86	-44.5	180	-174.2	-101.1	0	0	0	113.8	T219 M220 T221 R308	T219-F223 WeakPolarHBondContact O-CB 3.46Å; T219-F223 PolarHBondContact O-N 2.99Å; T219-F223 VanDerWaalsContact O-N 3.09Å; M220-F223 PolarHBondContact O-N 2.82Å; T221-F223 VanDerWaalsContact C-N 3.3Å; T221-F223 PolarHBondContact O-N 2.82Å; F223-R308 HydrophobicContact CB-CG 4.31Å; F223-R308 VanDerWaalsContact CD1-NE 3.33Å; F223-R308 VanDerWaalsContact CE2-NH2 3.34Å; F223-R308 VanDerWaalsContact CZ-NH2 3.32Å
224	Y	64.1	Low	76.5	Confident	33 Å²	33	31.3 Å²	31.3	13%	0.129	16%	0.162	C	C	.	.	H	α-helix	trans	-94.6	-17.5	-175.4	-73.2	-71.6	0	0	0	114.6	F129 M220 E227 I228 Y231 D340	F129-Y224 AromaticContact CZ-CD1 3.82Å; F129-Y224 HydrophobicContact CZ-CD1 3.82Å; F129-Y224 AromaticContact CZ-CE1 3.93Å; F129-Y224 HydrophobicContact CZ-CE1 3.93Å; M220-Y224 HydrophobicContact CE-CD2 4.11Å; M220-Y224 HydrophobicContact CE-CE2 3.96Å; M220-Y224 PolarHBondContact O-N 3.11Å; M220-Y224 HydrophobicContact SD-CD2 4.24Å; M220-Y224 HydrophobicContact SD-CE2 4Å; Y224-E227 PolarHBondContact O-N 3.09Å; Y224-I228 HydrophobicContact CD2-CD1 3.89Å; Y224-I228 HydrophobicContact CG-CD1 4.29Å; Y224-Y231 HydrophobicContact CD1-CD2 4.3Å; Y224-Y231 HydrophobicContact CD1-CG 4.23Å; Y224-Y231 HydrophobicContact CD2-CD1 4.05Å; Y224-Y231 HydrophobicContact CD2-CE1 4.4Å; Y224-Y231 HydrophobicContact CD2-CG 4.38Å; Y224-Y231 HydrophobicContact CE1-CD1 4.32Å; Y224-Y231 AromaticContact CE1-CD2 3.75Å; Y224-Y231 HydrophobicContact CE1-CD2 3.75Å; Y224-Y231 HydrophobicContact CE1-CE1 4.4Å; Y224-Y231 AromaticContact CE1-CE2 3.85Å; Y224-Y231 HydrophobicContact CE1-CE2 3.85Å; Y224-Y231 AromaticContact CE1-CG 4Å; Y224-Y231 HydrophobicContact CE1-CG 4Å; Y224-Y231 AromaticContact CE2-CD1 3.68Å; Y224-Y231 HydrophobicContact CE2-CD1 3.68Å; Y224-Y231 AromaticContact CE2-CE1 3.58Å; Y224-Y231 HydrophobicContact CE2-CE1 3.58Å; Y224-Y231 HydrophobicContact CE2-CE2 4.46Å; Y224-Y231 HydrophobicContact CE2-CG 4.17Å; Y224-Y231 HydrophobicContact CG-CG 4.42Å; Y224-Y231 AromaticContact CZ-CD1 3.84Å; Y224-Y231 AromaticContact CZ-CD2 3.9Å; Y224-Y231 AromaticContact CZ-CE1 3.6Å; Y224-Y231 AromaticContact CZ-CE2 3.66Å; Y224-Y231 AromaticContact CZ-CG 3.98Å; Y224-Y231 AromaticContact CZ-CZ 3.51Å; Y224-Y231 WeakPolarHBondContact OH-CE2 3.47Å; Y224-Y231 PolarHBondContact OH-OH 2.83Å; Y224-D340 WeakPolarHBondContact CE2-OD2 3.33Å; Y224-D340 PolarHBondContact OH-OD2 2.85Å; Y224-D340 VanDerWaalsContact OH-OD2 3.09Å
225	G	74.1	Confident	75.3	Confident	40 Å²	40	31.3 Å²	31.3	41%	0.412	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	56.2	-137.5	-176.4	0	0	0	0	0	112.5	T221 E227 I228	T221-G225 VanDerWaalsContact O-CA 3.32Å; T221-G225 WeakPolarHBondContact O-CA 3.43Å; T221-G225 PolarHBondContact O-N 2.94Å; G225-E227 PolarHBondContact O-N 3.38Å; G225-E227 VanDerWaalsContact O-N 3.17Å; G225-I228 WeakPolarHBondContact O-CB 3.35Å; G225-I228 WeakPolarHBondContact O-CG2 3.06Å; G225-I228 PolarHBondContact O-N 3.43Å
226	D	63.6	Low	74.5	Confident	137 Å²	137	31.3 Å²	31.3	73%	0.733	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-57.6	-28.9	-179.7	-71.8	-53.1	0	0	0	113.9	I228	D226-I228 VanDerWaalsContact C-N 3.25Å; D226-I228 PolarHBondContact O-N 3.25Å
227	E	61.5	Low	73.5	Confident	34 Å²	34	31.5 Å²	31.5	16%	0.159	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-75.2	-7.7	-176.8	-65.5	-54.1	122.1	0	0	114.2	S126 F129 Y224 G225 K229 H230 Y231	S126-E227 VanDerWaalsContact CB-CD 3.46Å; S126-E227 WeakPolarHBondContact CB-OE1 3.31Å; S126-E227 WeakPolarHBondContact CB-OE2 3.33Å; S126-E227 PolarHBondContact OG-OE1 3.26Å; S126-E227 PolarHBondContact OG-OE2 2.8Å; F129-E227 HydrophobicContact CE1-CB 4.19Å; F129-E227 HydrophobicContact CZ-CB 4.27Å; Y224-E227 PolarHBondContact O-N 3.09Å; G225-E227 PolarHBondContact O-N 3.38Å; G225-E227 VanDerWaalsContact O-N 3.17Å; E227-K229 PolarHBondContact O-N 3.5Å; E227-K229 VanDerWaalsContact O-N 3.07Å; E227-H230 WeakPolarHBondContact O-CA 3.33Å; E227-H230 WeakPolarHBondContact O-CB 3.22Å; E227-H230 PolarHBondContact O-N 2.94Å; E227-H230 IonicContact OE2-CD2 2.7Å; E227-H230 PolarHBondContact OE2-CD2 3.08Å; E227-H230 IonicContact OE2-CG 3.12Å; E227-Y231 PolarHBondContact O-N 2.79Å
228	I	71.1	Confident	72.3	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.015	16%	0.163	C	C	.	.	H	α-helix	trans	-53.2	-34.8	179.6	-172.3	55.3	0	0	0	113.1	A216 M220 T221 Y224 G225 D226 H230 Y231 V232 V261	A216-I228 HydrophobicContact CB-CD1 3.79Å; A216-I228 HydrophobicContact CB-CG1 3.59Å; M220-I228 HydrophobicContact CB-CD1 3.81Å; M220-I228 HydrophobicContact CE-CD1 3.64Å; T221-I228 HydrophobicContact CG2-CG1 4.41Å; T221-I228 HydrophobicContact CG2-CG2 4.34Å; Y224-I228 HydrophobicContact CD2-CD1 3.89Å; Y224-I228 HydrophobicContact CG-CD1 4.29Å; G225-I228 WeakPolarHBondContact O-CB 3.35Å; G225-I228 WeakPolarHBondContact O-CG2 3.06Å; G225-I228 PolarHBondContact O-N 3.43Å; D226-I228 VanDerWaalsContact C-N 3.25Å; D226-I228 PolarHBondContact O-N 3.25Å; I228-H230 VanDerWaalsContact C-N 3.33Å; I228-H230 PolarHBondContact O-N 2.82Å; I228-Y231 HydrophobicContact CD1-CD1 4.39Å; I228-Y231 WeakPolarHBondContact O-CB 3.31Å; I228-Y231 PolarHBondContact O-N 3.27Å; I228-V232 HydrophobicContact CD1-CG2 3.86Å; I228-V232 HydrophobicContact CG1-CG2 4.44Å; I228-V232 PolarHBondContact O-N 3.01Å; I228-V232 VanDerWaalsContact O-N 3.1Å; I228-V261 HydrophobicContact CG2-CG1 4.13Å
229	K	68.4	Low	71.9	Confident	66 Å²	66	30.8 Å²	30.8	29%	0.287	16%	0.159	S	C	.	.	H	α-helix	trans	-67.9	-33.8	178.6	-65.6	160.3	-171.7	154.9	0	111.9	I80 E227 L233 M259 V261	I80-K229 HydrophobicContact CD1-CB 4.33Å; I80-K229 HydrophobicContact CD1-CG 4.3Å; I80-K229 HydrophobicContact CG2-CD 4.41Å; I80-K229 HydrophobicContact CG2-CG 4.24Å; E227-K229 PolarHBondContact O-N 3.5Å; E227-K229 VanDerWaalsContact O-N 3.07Å; K229-L233 WeakPolarHBondContact O-CD1 3.21Å; K229-L233 VanDerWaalsContact O-CG 3.3Å; K229-L233 WeakPolarHBondContact O-CG 3.39Å; K229-M259 HydrophobicContact CG-SD 4.48Å; K229-V261 HydrophobicContact CG-CG2 4.34Å
230	H	61.6	Low	71.5	Confident	16 Å²	16	29.3 Å²	29.3	7%	0.074	15%	0.15	C	C	.	.	H	α-helix	trans	-79.5	-33	173.7	-69.8	-55.1	0	0	0	111.9	L103 F107 S123 C125 F129 E227 I228 T234	L103-H230 WeakPolarHBondContact CD2-CE1 3.07Å; F107-H230 AromaticContact CE1-ND1 3.83Å; F107-H230 AromaticContact CZ-ND1 3.49Å; F107-H230 WeakPolarHBondContact CZ-ND1 3.45Å; S123-H230 PolarHBondContact OG-ND1 3.19Å; C125-H230 WeakPolarHBondContact CB-CE1 3.44Å; C125-H230 VanDerWaalsContact CB-NE2 3.27Å; C125-H230 WeakPolarHBondContact CB-NE2 3.16Å; C125-H230 VanDerWaalsContact SG-CE1 3.52Å; F129-H230 HydrophobicContact CD1-CB 4.09Å; F129-H230 HydrophobicContact CE1-CB 4.49Å; E227-H230 WeakPolarHBondContact O-CA 3.33Å; E227-H230 WeakPolarHBondContact O-CB 3.22Å; E227-H230 PolarHBondContact O-N 2.94Å; E227-H230 IonicContact OE2-CD2 2.7Å; E227-H230 PolarHBondContact OE2-CD2 3.08Å; E227-H230 IonicContact OE2-CG 3.12Å; I228-H230 VanDerWaalsContact C-N 3.33Å; I228-H230 PolarHBondContact O-N 2.82Å; H230-T234 WeakPolarHBondContact O-CB 3.46Å; H230-T234 PolarHBondContact O-N 3.26Å; H230-T234 VanDerWaalsContact O-N 3.16Å; H230-T234 PolarHBondContact O-OG1 2.66Å
231	Y	65.6	Low	70.9	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-62.5	-61.2	178.9	-168.4	-113.6	0	0	0	112.6	F129 M220 Y224 E227 I228 L233 T234 L235 D340 G342 L343	F129-Y231 AromaticContact CE1-CD2 3.66Å; F129-Y231 HydrophobicContact CE1-CD2 3.66Å; F129-Y231 HydrophobicContact CE1-CG 4.13Å; F129-Y231 AromaticContact CZ-CD2 3.59Å; F129-Y231 HydrophobicContact CZ-CD2 3.59Å; F129-Y231 HydrophobicContact CZ-CE2 4.5Å; F129-Y231 HydrophobicContact CZ-CG 4.22Å; M220-Y231 HydrophobicContact CE-CD1 3.67Å; M220-Y231 HydrophobicContact CE-CE1 3.71Å; Y224-Y231 HydrophobicContact CD1-CD2 4.3Å; Y224-Y231 HydrophobicContact CD1-CG 4.23Å; Y224-Y231 HydrophobicContact CD2-CD1 4.05Å; Y224-Y231 HydrophobicContact CD2-CE1 4.4Å; Y224-Y231 HydrophobicContact CD2-CG 4.38Å; Y224-Y231 HydrophobicContact CE1-CD1 4.32Å; Y224-Y231 AromaticContact CE1-CD2 3.75Å; Y224-Y231 HydrophobicContact CE1-CD2 3.75Å; Y224-Y231 HydrophobicContact CE1-CE1 4.4Å; Y224-Y231 AromaticContact CE1-CE2 3.85Å; Y224-Y231 HydrophobicContact CE1-CE2 3.85Å; Y224-Y231 AromaticContact CE1-CG 4Å; Y224-Y231 HydrophobicContact CE1-CG 4Å; Y224-Y231 AromaticContact CE2-CD1 3.68Å; Y224-Y231 HydrophobicContact CE2-CD1 3.68Å; Y224-Y231 AromaticContact CE2-CE1 3.58Å; Y224-Y231 HydrophobicContact CE2-CE1 3.58Å; Y224-Y231 HydrophobicContact CE2-CE2 4.46Å; Y224-Y231 HydrophobicContact CE2-CG 4.17Å; Y224-Y231 HydrophobicContact CG-CG 4.42Å; Y224-Y231 AromaticContact CZ-CD1 3.84Å; Y224-Y231 AromaticContact CZ-CD2 3.9Å; Y224-Y231 AromaticContact CZ-CE1 3.6Å; Y224-Y231 AromaticContact CZ-CE2 3.66Å; Y224-Y231 AromaticContact CZ-CG 3.98Å; Y224-Y231 AromaticContact CZ-CZ 3.51Å; Y224-Y231 WeakPolarHBondContact OH-CE2 3.47Å; Y224-Y231 PolarHBondContact OH-OH 2.83Å; E227-Y231 PolarHBondContact O-N 2.79Å; I228-Y231 HydrophobicContact CD1-CD1 4.39Å; I228-Y231 WeakPolarHBondContact O-CB 3.31Å; I228-Y231 PolarHBondContact O-N 3.27Å; Y231-L233 VanDerWaalsContact C-N 3.33Å; Y231-L233 PolarHBondContact O-N 2.02Å; Y231-T234 WeakPolarHBondContact O-CA 3.49Å; Y231-T234 WeakPolarHBondContact O-CB 3.3Å; Y231-T234 PolarHBondContact O-N 3.46Å; Y231-L235 HydrophobicContact CD1-CD1 4.11Å; Y231-L235 HydrophobicContact CE1-CD1 3.74Å; Y231-L235 HydrophobicContact CE1-CG 4.39Å; Y231-L235 PolarHBondContact O-N 3.18Å; Y231-L235 VanDerWaalsContact O-N 3.07Å; Y231-D340 WeakPolarHBondContact CE1-OD1 3.33Å; Y231-D340 VanDerWaalsContact CZ-OD1 3.26Å; Y231-D340 PolarHBondContact OH-OD1 3Å; Y231-G342 WeakPolarHBondContact OH-CA 3.48Å; Y231-G342 PolarHBondContact OH-O 3.31Å; Y231-L343 HydrophobicContact CD2-CD2 3.92Å; Y231-L343 HydrophobicContact CE2-CD1 4.28Å; Y231-L343 HydrophobicContact CE2-CD2 3.34Å; Y231-L343 HydrophobicContact CE2-CG 3.66Å; Y231-L343 PolarHBondContact OH-N 2.78Å
232	V	74.9	Confident	70.6	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.7	-35.8	-173	178	0	0	0	0	111.7	A214 A216 M220 I228 T234 L235 M236 M259 F306	A214-V232 HydrophobicContact CB-CG1 3.74Å; A216-V232 HydrophobicContact CB-CG2 4.32Å; M220-V232 HydrophobicContact CE-CG2 4.28Å; I228-V232 HydrophobicContact CD1-CG2 3.86Å; I228-V232 HydrophobicContact CG1-CG2 4.44Å; I228-V232 PolarHBondContact O-N 3.01Å; I228-V232 VanDerWaalsContact O-N 3.1Å; V232-T234 VanDerWaalsContact C-N 3.29Å; V232-T234 PolarHBondContact O-N 2.96Å; V232-L235 WeakPolarHBondContact O-CB 3.42Å; V232-L235 PolarHBondContact O-N 3.43Å; V232-M236 WeakPolarHBondContact O-CG 3.44Å; V232-M236 PolarHBondContact O-N 2.87Å; V232-M259 HydrophobicContact CB-CE 3.57Å; V232-M259 HydrophobicContact CG1-CE 4.08Å; V232-M259 HydrophobicContact CG2-CE 3.76Å; V232-F306 HydrophobicContact CG1-CD2 3.77Å; V232-F306 HydrophobicContact CG1-CE2 3.69Å; V232-F306 HydrophobicContact CG2-CD2 4.36Å
233	L	70.6	Confident	71	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.9	-24.9	175.3	-63	-178.7	0	0	0	112.8	F73 L74 F78 I80 F107 K229 Y231 S237 V256 M259	F73-L233 HydrophobicContact CE2-CB 4.4Å; F73-L233 VanDerWaalsContact CE2-O 3.26Å; F73-L233 WeakPolarHBondContact CE2-O 3.45Å; F73-L233 VanDerWaalsContact CZ-O 3.31Å; F73-L233 WeakPolarHBondContact CZ-O 3.29Å; L74-L233 HydrophobicContact CD2-CD2 4.03Å; F78-L233 HydrophobicContact CE1-CD1 3.93Å; F78-L233 HydrophobicContact CE2-CD2 4.17Å; F78-L233 HydrophobicContact CZ-CD1 3.75Å; F78-L233 HydrophobicContact CZ-CD2 3.82Å; F78-L233 HydrophobicContact CZ-CG 4.4Å; I80-L233 HydrophobicContact CD1-CD1 4.41Å; F107-L233 HydrophobicContact CD1-CB 4.3Å; F107-L233 HydrophobicContact CE1-CB 3.59Å; F107-L233 HydrophobicContact CE2-CB 4.05Å; F107-L233 HydrophobicContact CE2-CD1 3.72Å; F107-L233 HydrophobicContact CZ-CB 3.45Å; F107-L233 VanDerWaalsContact CZ-CB 3.45Å; F107-L233 HydrophobicContact CZ-CD1 3.61Å; F107-L233 HydrophobicContact CZ-CG 4.14Å; K229-L233 WeakPolarHBondContact O-CD1 3.21Å; K229-L233 VanDerWaalsContact O-CG 3.3Å; K229-L233 WeakPolarHBondContact O-CG 3.39Å; Y231-L233 VanDerWaalsContact C-N 3.33Å; Y231-L233 PolarHBondContact O-N 2.02Å; L233-S237 PolarHBondContact O-N 3.31Å; L233-S237 VanDerWaalsContact O-N 3.09Å; L233-V256 HydrophobicContact CD2-CG1 4.21Å; L233-M259 HydrophobicContact CG-SD 4.33Å
234	T	60.3	Low	71.4	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-70	-43.7	169.6	-59.1	0	0	0	0	111.1	A121 H230 Y231 V232 M236 S237 M238 L343	A121-T234 HydrophobicContact CB-CG2 3.77Å; A121-T234 WeakPolarHBondContact O-CG2 3.42Å; H230-T234 WeakPolarHBondContact O-CB 3.46Å; H230-T234 PolarHBondContact O-N 3.26Å; H230-T234 VanDerWaalsContact O-N 3.16Å; H230-T234 PolarHBondContact O-OG1 2.66Å; Y231-T234 WeakPolarHBondContact O-CA 3.49Å; Y231-T234 WeakPolarHBondContact O-CB 3.3Å; Y231-T234 PolarHBondContact O-N 3.46Å; V232-T234 VanDerWaalsContact C-N 3.29Å; V232-T234 PolarHBondContact O-N 2.96Å; T234-M236 VanDerWaalsContact C-N 3.35Å; T234-M236 PolarHBondContact O-N 2.84Å; T234-S237 PolarHBondContact O-N 2.68Å; T234-M238 PolarHBondContact O-N 3.09Å; T234-L343 HydrophobicContact CG2-CD2 4.43Å
235	L	70.2	Confident	72.2	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-54.6	-50	171.6	-66.2	171.2	0	0	0	111.1	Y231 V232 S237 M238 V239 F306 L343 A345 A346	Y231-L235 HydrophobicContact CD1-CD1 4.11Å; Y231-L235 HydrophobicContact CE1-CD1 3.74Å; Y231-L235 HydrophobicContact CE1-CG 4.39Å; Y231-L235 PolarHBondContact O-N 3.18Å; Y231-L235 VanDerWaalsContact O-N 3.07Å; V232-L235 WeakPolarHBondContact O-CB 3.42Å; V232-L235 PolarHBondContact O-N 3.43Å; L235-S237 VanDerWaalsContact C-N 3.31Å; L235-S237 PolarHBondContact O-N 3.25Å; L235-M238 WeakPolarHBondContact O-CB 3.46Å; L235-M238 PolarHBondContact O-N 2.64Å; L235-M238 VanDerWaalsContact O-N 3.13Å; L235-V239 WeakPolarHBondContact O-CG2 3.35Å; L235-V239 PolarHBondContact O-N 2.88Å; L235-F306 HydrophobicContact CD1-CD1 3.7Å; L235-F306 HydrophobicContact CD1-CE1 3.58Å; L235-F306 HydrophobicContact CD1-CG 4.36Å; L235-F306 HydrophobicContact CD1-CZ 4.15Å; L235-L343 HydrophobicContact CD2-CB 4.36Å; L235-L343 HydrophobicContact CD2-CD2 3.4Å; L235-L343 HydrophobicContact CD2-CG 4.38Å; L235-L343 HydrophobicContact CG-CD2 3.76Å; L235-A345 HydrophobicContact CD1-CB 4.27Å; L235-A345 HydrophobicContact CD2-CB 3.91Å; L235-A346 HydrophobicContact CB-CB 4.42Å; L235-A346 HydrophobicContact CD2-CB 3.84Å
236	M	79.4	Confident	72.4	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.1	-30.1	-178.1	-65.1	-50.8	-59.3	0	0	113.4	F73 T212 A214 V232 T234 V239 A240 I254 V256 M304 F306	F73-M236 HydrophobicContact CD2-CB 4.15Å; F73-M236 HydrophobicContact CE2-CB 4.18Å; T212-M236 HydrophobicContact CG2-CE 3.79Å; A214-M236 HydrophobicContact CB-CG 4.38Å; V232-M236 WeakPolarHBondContact O-CG 3.44Å; V232-M236 PolarHBondContact O-N 2.87Å; T234-M236 VanDerWaalsContact C-N 3.35Å; T234-M236 PolarHBondContact O-N 2.84Å; M236-V239 PolarHBondContact O-N 3.18Å; M236-A240 WeakPolarHBondContact O-CB 3.37Å; M236-A240 PolarHBondContact O-N 3.27Å; M236-I254 HydrophobicContact CE-CG2 3.84Å; M236-V256 HydrophobicContact CB-CG2 3.66Å; M236-V256 HydrophobicContact CE-CG2 4.06Å; M236-V256 HydrophobicContact CG-CG2 3.81Å; M236-M304 HydrophobicContact CE-CE 4.39Å; M236-M304 HydrophobicContact CE-SD 3.78Å; M236-M304 HydrophobicContact SD-SD 3.78Å; M236-F306 HydrophobicContact SD-CE2 4.36Å; M236-F306 HydrophobicContact SD-CZ 4.12Å
237	S	71.5	Confident	73.5	Confident	4 Å²	4	17.7 Å²	17.7	3%	0.028	9%	0.086	C	C	.	.	H	α-helix	trans	-64	-43	171.2	-175.2	0	0	0	0	111.9	L233 T234 L235 A240 Q241	L233-S237 PolarHBondContact O-N 3.31Å; L233-S237 VanDerWaalsContact O-N 3.09Å; T234-S237 PolarHBondContact O-N 2.68Å; L235-S237 VanDerWaalsContact C-N 3.31Å; L235-S237 PolarHBondContact O-N 3.25Å; S237-A240 PolarHBondContact O-N 2.96Å; S237-Q241 WeakPolarHBondContact O-CG 3.18Å; S237-Q241 PolarHBondContact O-N 3.48Å; S237-Q241 PolarHBondContact O-NE2 3.46Å; S237-Q241 PolarHBondContact OG-NE2 3.04Å; S237-Q241 VanDerWaalsContact OG-NE2 3.15Å
238	M	67.8	Low	74.9	Confident	1 Å²	1	16.1 Å²	16.1	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-63.5	-44.5	176	-64.5	168.2	68.3	0	0	111.5	L119 A121 S131 T234 L235 A240 Q241 L242 L343 A346 F347	L119-M238 HydrophobicContact CD2-CG 4.03Å; A121-M238 HydrophobicContact CB-CG 3.38Å; A121-M238 HydrophobicContact CB-SD 4.07Å; S131-M238 PolarHBondContact OG-SD 3.3Å; S131-M238 VanDerWaalsContact OG-SD 3.32Å; T234-M238 PolarHBondContact O-N 3.09Å; L235-M238 WeakPolarHBondContact O-CB 3.46Å; L235-M238 PolarHBondContact O-N 2.64Å; L235-M238 VanDerWaalsContact O-N 3.13Å; M238-A240 VanDerWaalsContact C-N 3.33Å; M238-A240 PolarHBondContact O-N 2.04Å; M238-Q241 PolarHBondContact O-N 3.25Å; M238-L242 WeakPolarHBondContact O-CG 3.48Å; M238-L242 PolarHBondContact O-N 3.32Å; M238-L343 HydrophobicContact SD-CB 4.42Å; M238-A346 HydrophobicContact CB-CB 3.65Å; M238-A346 HydrophobicContact CE-CB 3.82Å; M238-A346 HydrophobicContact CG-CB 4.35Å; M238-A346 HydrophobicContact SD-CB 3.83Å; M238-F347 HydrophobicContact CE-CE2 3.97Å; M238-F347 HydrophobicContact CE-CZ 4.26Å
239	V	81	Confident	75.7	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.8	-46.1	174.2	178.8	0	0	0	0	110.4	L235 M236 Q241 L242 Y243 I254 A346 A349 A350 L353	L235-V239 WeakPolarHBondContact O-CG2 3.35Å; L235-V239 PolarHBondContact O-N 2.88Å; M236-V239 PolarHBondContact O-N 3.18Å; V239-Q241 VanDerWaalsContact C-N 3.31Å; V239-Q241 PolarHBondContact O-N 3.37Å; V239-L242 PolarHBondContact O-N 3.12Å; V239-Y243 HydrophobicContact CG1-CD2 4.05Å; V239-Y243 HydrophobicContact CG1-CE2 4.25Å; V239-Y243 WeakPolarHBondContact O-CD2 3.25Å; V239-Y243 PolarHBondContact O-N 2.68Å; V239-Y243 VanDerWaalsContact O-N 3.12Å; V239-I254 HydrophobicContact CG1-CG1 4.34Å; V239-A346 HydrophobicContact CG2-CB 4.34Å; V239-A346 WeakPolarHBondContact CG2-O 3.41Å; V239-A349 HydrophobicContact CG2-CB 3.9Å; V239-A350 HydrophobicContact CG1-CB 4.18Å; V239-A350 HydrophobicContact CG2-CB 4.33Å; V239-L353 HydrophobicContact CG1-CD2 4.21Å
240	A	80	Confident	76.7	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62	-34.7	178.5	0	0	0	0	0	113.6	F73 M236 S237 M238 K244 I254	F73-A240 HydrophobicContact CB-CB 3.57Å; F73-A240 HydrophobicContact CG-CB 4.4Å; M236-A240 WeakPolarHBondContact O-CB 3.37Å; M236-A240 PolarHBondContact O-N 3.27Å; S237-A240 PolarHBondContact O-N 2.96Å; M238-A240 VanDerWaalsContact C-N 3.33Å; M238-A240 PolarHBondContact O-N 2.04Å; A240-K244 VanDerWaalsContact O-CG 3.32Å; A240-K244 WeakPolarHBondContact O-CG 3.43Å; A240-K244 PolarHBondContact O-N 2.75Å; A240-I254 HydrophobicContact CB-CB 3.95Å; A240-I254 HydrophobicContact CB-CG1 4.34Å
241	Q	71.6	Confident	77.9	Confident	38 Å²	38	16.7 Å²	16.7	18%	0.178	8%	0.083	C	C	.	.	H	α-helix	trans	-72	-41.4	175.9	-69.4	167.2	47.5	0	0	112	L119 S237 M238 V239 Y243 K244 H245	L119-Q241 HydrophobicContact CD1-CB 4.32Å; S237-Q241 WeakPolarHBondContact O-CG 3.18Å; S237-Q241 PolarHBondContact O-N 3.48Å; S237-Q241 PolarHBondContact O-NE2 3.46Å; S237-Q241 PolarHBondContact OG-NE2 3.04Å; S237-Q241 VanDerWaalsContact OG-NE2 3.15Å; M238-Q241 PolarHBondContact O-N 3.25Å; V239-Q241 VanDerWaalsContact C-N 3.31Å; V239-Q241 PolarHBondContact O-N 3.37Å; Q241-Y243 VanDerWaalsContact C-N 3.34Å; Q241-Y243 PolarHBondContact O-N 2.98Å; Q241-K244 PolarHBondContact O-N 3.4Å; Q241-H245 PolarHBondContact O-N 2.93Å
242	L	75.9	Confident	79.1	Confident	10 Å²	10	16.7 Å²	16.7	5%	0.052	8%	0.083	C	C	.	.	H	α-helix	trans	-59.8	-43	176.3	-70.5	166.5	0	0	0	111.8	M238 V239 K244 H245 F347 A350 L379 L387 W393	M238-L242 WeakPolarHBondContact O-CG 3.48Å; M238-L242 PolarHBondContact O-N 3.32Å; V239-L242 PolarHBondContact O-N 3.12Å; L242-K244 VanDerWaalsContact C-N 3.32Å; L242-K244 PolarHBondContact O-N 3.1Å; L242-H245 WeakPolarHBondContact O-CB 3.36Å; L242-H245 PolarHBondContact O-N 2.82Å; L242-F347 HydrophobicContact CD1-CD1 3.72Å; L242-F347 HydrophobicContact CD1-CE1 3.78Å; L242-F347 HydrophobicContact CD2-CD1 4.49Å; L242-F347 HydrophobicContact CD2-CE1 4.03Å; L242-F347 HydrophobicContact CG-CE1 4.47Å; L242-A350 HydrophobicContact CD1-CB 3.86Å; L242-L379 HydrophobicContact CD1-CD2 4.28Å; L242-L387 HydrophobicContact CD2-CD2 4.18Å; L242-W393 PolarHBondContact O-NE1 2.9Å
243	Y	88.2	Confident	79.6	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-73.2	-18.5	178.9	-86.8	-87	0	0	0	114.8	V239 Q241 I248 V252 I254 A350 L353 G354 L357 M359 W393	V239-Y243 HydrophobicContact CG1-CD2 4.05Å; V239-Y243 HydrophobicContact CG1-CE2 4.25Å; V239-Y243 WeakPolarHBondContact O-CD2 3.25Å; V239-Y243 PolarHBondContact O-N 2.68Å; V239-Y243 VanDerWaalsContact O-N 3.12Å; Q241-Y243 VanDerWaalsContact C-N 3.34Å; Q241-Y243 PolarHBondContact O-N 2.98Å; Y243-I248 HydrophobicContact CD1-CD1 3.49Å; Y243-I248 VanDerWaalsContact CD1-CD1 3.49Å; Y243-I248 HydrophobicContact CE1-CD1 3.72Å; Y243-I248 HydrophobicContact CG-CD1 4.45Å; Y243-V252 HydrophobicContact CD1-CB 4.18Å; Y243-V252 HydrophobicContact CD1-CG1 3.73Å; Y243-V252 HydrophobicContact CG-CG1 4.32Å; Y243-I254 HydrophobicContact CD1-CD1 4.45Å; Y243-I254 HydrophobicContact CD2-CD1 4.16Å; Y243-I254 HydrophobicContact CD2-CG1 4.29Å; Y243-I254 HydrophobicContact CG-CD1 3.95Å; Y243-I254 HydrophobicContact CG-CG1 4.23Å; Y243-A350 HydrophobicContact CE2-CB 3.98Å; Y243-A350 PolarHBondContact OH-O 2.98Å; Y243-L353 HydrophobicContact CD2-CD2 4.1Å; Y243-L353 HydrophobicContact CE1-CD2 4.42Å; Y243-L353 HydrophobicContact CE2-CB 4.2Å; Y243-L353 HydrophobicContact CE2-CD2 3.6Å; Y243-L353 HydrophobicContact CE2-CG 4.06Å; Y243-L353 VanDerWaalsContact OH-C 3.28Å; Y243-G354 WeakPolarHBondContact OH-CA 3.38Å; Y243-G354 PolarHBondContact OH-N 2.94Å; Y243-L357 HydrophobicContact CD1-CD1 4.44Å; Y243-L357 HydrophobicContact CE1-CD1 3.5Å; Y243-M359 HydrophobicContact CE1-CE 4.23Å; Y243-W393 HydrophobicContact CD1-CZ2 4.08Å; Y243-W393 HydrophobicContact CD2-CH2 4.43Å; Y243-W393 AromaticContact CD2-CZ2 3.94Å; Y243-W393 HydrophobicContact CD2-CZ2 3.94Å; Y243-W393 AromaticContact CE1-CH2 3.85Å; Y243-W393 HydrophobicContact CE1-CH2 3.85Å; Y243-W393 AromaticContact CE1-CZ2 3.86Å; Y243-W393 HydrophobicContact CE1-CZ2 3.86Å; Y243-W393 AromaticContact CE2-CH2 3.72Å; Y243-W393 HydrophobicContact CE2-CH2 3.72Å; Y243-W393 AromaticContact CE2-CZ2 3.69Å; Y243-W393 HydrophobicContact CE2-CZ2 3.69Å; Y243-W393 HydrophobicContact CG-CZ2 4.13Å; Y243-W393 AromaticContact CZ-CH2 3.39Å; Y243-W393 AromaticContact CZ-CZ2 3.66Å; Y243-W393 WeakPolarHBondContact OH-CH2 3.4Å
244	K	78.2	Confident	80.5	Confident	89 Å²	89	18.9 Å²	18.9	39%	0.387	10%	0.095	S	C	.	.	H	α-helix	trans	-80.4	-12.2	170.5	-73.8	171.7	-174.8	173.3	0	113.6	S72 A240 Q241 L242	S72-K244 PolarHBondContact OG-NZ 3.45Å; A240-K244 VanDerWaalsContact O-CG 3.32Å; A240-K244 WeakPolarHBondContact O-CG 3.43Å; A240-K244 PolarHBondContact O-N 2.75Å; Q241-K244 PolarHBondContact O-N 3.4Å; L242-K244 VanDerWaalsContact C-N 3.32Å; L242-K244 PolarHBondContact O-N 3.1Å
245	H	79.9	Confident	81.8	Confident	51 Å²	51	19 Å²	19	24%	0.236	10%	0.096	C	C	.	.	S	Bend	trans	-69.8	128	-173.8	-169.3	-86.1	0	0	0	112.1	Q241 L242 S247 I248 S390 P392	Q241-H245 PolarHBondContact O-N 2.93Å; L242-H245 WeakPolarHBondContact O-CB 3.36Å; L242-H245 PolarHBondContact O-N 2.82Å; H245-S247 PolarHBondContact ND1-N 3.48Å; H245-S247 PolarHBondContact ND1-OG 2.72Å; H245-S247 PolarHBondContact O-N 2.65Å; H245-I248 WeakPolarHBondContact O-CG2 3.33Å; H245-I248 PolarHBondContact O-N 2.9Å; H245-I248 VanDerWaalsContact O-N 3.09Å; H245-S390 PolarHBondContact CE1-O 3.29Å; H245-S390 VanDerWaalsContact CE1-O 3.27Å; H245-P392 HydrophobicContact CB-CG 4.09Å; H245-P392 VanDerWaalsContact ND1-CD 3.32Å; H245-P392 WeakPolarHBondContact ND1-CD 3.01Å
246	P	79.8	Confident	82.6	Confident	36 Å²	36	19 Å²	19	23%	0.234	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-61.5	-17.6	-168.2	21.8	-34.2	0	0	0	115.4	I248 K249 P543 Y549	P246-I248 PolarHBondContact O-N 2.77Å; P246-K249 PolarHBondContact O-N 2.78Å; P246-P543 HydrophobicContact CB-CB 4.42Å; P246-P543 HydrophobicContact CB-CG 4.28Å; P246-Y549 HydrophobicContact CB-CD2 4.44Å
247	S	85.8	Confident	82.9	Confident	20 Å²	20	19 Å²	19	14%	0.14	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-61	-19.9	173.9	64.1	0	0	0	0	114.1	H245 K249 P392 W393	H245-S247 PolarHBondContact ND1-N 3.48Å; H245-S247 PolarHBondContact ND1-OG 2.72Å; H245-S247 PolarHBondContact O-N 2.65Å; S247-K249 PolarHBondContact O-N 3.07Å; S247-P392 WeakPolarHBondContact OG-CD 3.49Å; S247-W393 PolarHBondContact OG-N 3Å
248	I	90.8	Very high	83.5	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-72.7	-11	173.9	-153.3	173.7	0	0	0	113.1	Y243 H245 P246 N250 M359 W393 I401	Y243-I248 HydrophobicContact CD1-CD1 3.49Å; Y243-I248 VanDerWaalsContact CD1-CD1 3.49Å; Y243-I248 HydrophobicContact CE1-CD1 3.72Å; Y243-I248 HydrophobicContact CG-CD1 4.45Å; H245-I248 WeakPolarHBondContact O-CG2 3.33Å; H245-I248 PolarHBondContact O-N 2.9Å; H245-I248 VanDerWaalsContact O-N 3.09Å; P246-I248 PolarHBondContact O-N 2.77Å; I248-N250 HydrophobicContact CG2-CB 4.36Å; I248-N250 WeakPolarHBondContact CG2-O 3.13Å; I248-N250 PolarHBondContact O-N 2.86Å; I248-N250 VanDerWaalsContact O-N 3.1Å; I248-N250 PolarHBondContact O-ND2 3.44Å; I248-M359 HydrophobicContact CD1-CE 4.05Å; I248-M359 HydrophobicContact CG1-CE 4.43Å; I248-W393 HydrophobicContact CB-CB 4.45Å; I248-W393 HydrophobicContact CB-CD2 4.44Å; I248-W393 HydrophobicContact CB-CG 3.95Å; I248-W393 HydrophobicContact CD1-CD2 4.12Å; I248-W393 HydrophobicContact CD1-CH2 4.48Å; I248-W393 HydrophobicContact CD1-CZ2 3.94Å; I248-W393 HydrophobicContact CG1-CD2 4.1Å; I248-W393 HydrophobicContact CG1-CG 4.08Å; I248-I401 HydrophobicContact CD1-CD1 3.82Å; I248-I401 HydrophobicContact CG1-CD1 4.25Å; I248-I401 HydrophobicContact CG1-CG2 4.13Å
249	K	88.8	Confident	84.5	Confident	79 Å²	79	19.2 Å²	19.2	34%	0.343	10%	0.096	S	C	.	.			trans	55.2	21.6	179.8	-60.2	-167.5	176.4	-171.4	0	115.9	P246 S247 E537 Y549 R554	P246-K249 PolarHBondContact O-N 2.78Å; S247-K249 PolarHBondContact O-N 3.07Å; K249-E537 IonicContact NZ-OE1 3.09Å; K249-E537 PolarHBondContact NZ-OE1 2.86Å; K249-Y549 VanDerWaalsContact C-CE1 3.47Å; K249-Y549 VanDerWaalsContact CA-CZ 3.49Å; K249-Y549 WeakPolarHBondContact CA-OH 3.3Å; K249-Y549 WeakPolarHBondContact O-CE1 3.38Å; K249-Y549 VanDerWaalsContact O-CZ 3.28Å; K249-Y549 PolarHBondContact O-OH 3.16Å; K249-R554 PolarHBondContact O-NH2 3.26Å; K249-R554 VanDerWaalsContact O-NH2 3.13Å
250	N	88.8	Confident	84.9	Confident	6 Å²	6	19.2 Å²	19.2	3%	0.032	10%	0.096	C	C	.	.	S	Bend	trans	-141.4	153.4	-176.3	-74.8	-87.4	0	0	0	111.2	I248 V252 T402 F405 R554	I248-N250 HydrophobicContact CG2-CB 4.36Å; I248-N250 WeakPolarHBondContact CG2-O 3.13Å; I248-N250 PolarHBondContact O-N 2.86Å; I248-N250 VanDerWaalsContact O-N 3.1Å; I248-N250 PolarHBondContact O-ND2 3.44Å; N250-V252 HydrophobicContact CB-CG2 3.98Å; N250-V252 PolarHBondContact O-N 2.87Å; N250-T402 PolarHBondContact ND2-OG1 2.86Å; N250-F405 HydrophobicContact CB-CD2 4.38Å; N250-F405 HydrophobicContact CB-CE2 4.15Å; N250-F405 WeakPolarHBondContact OD1-CD2 3.43Å; N250-R554 PolarHBondContact OD1-NH2 2.86Å
251	S	87.9	Confident	85.3	Confident	12 Å²	12	19.5 Å²	19.5	8%	0.084	10%	0.098	C	C	.	.			trans	-89.9	98.9	172.4	-173.9	0	0	0	0	109.3	R208	R208-S251 PolarHBondContact N-O 2.92Å
252	V	90.3	Very high	86.2	Confident	3 Å²	3	17.7 Å²	17.7	2%	0.018	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.2	-177.5	-173	0	0	0	0	110.1	I210 Y243 N250 I254 I401 F405	I210-V252 HydrophobicContact CD1-CG1 3.62Å; I210-V252 HydrophobicContact CG1-CG1 4.32Å; Y243-V252 HydrophobicContact CD1-CB 4.18Å; Y243-V252 HydrophobicContact CD1-CG1 3.73Å; Y243-V252 HydrophobicContact CG-CG1 4.32Å; N250-V252 HydrophobicContact CB-CG2 3.98Å; N250-V252 PolarHBondContact O-N 2.87Å; V252-I254 HydrophobicContact CG1-CD1 4.21Å; V252-I401 HydrophobicContact CG2-CD1 4.03Å; V252-F405 HydrophobicContact CG2-CE2 3.76Å; V252-F405 HydrophobicContact CG2-CZ 4.07Å
253	N	85.4	Confident	86.6	Confident	43 Å²	43	21.7 Å²	21.7	23%	0.23	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	117.8	-176.2	-55.7	-92.6	0	0	0	108.6	R208 F209 I210	R208-N253 PolarHBondContact O-N 3.31Å; R208-N253 PolarHBondContact O-ND2 2.97Å; R208-N253 VanDerWaalsContact O-ND2 3.08Å; F209-N253 CarbonylContact C-O 3.41Å; F209-N253 WeakPolarHBondContact CA-O 3.33Å; F209-N253 HydrophobicContact CD1-CB 3.72Å; F209-N253 HydrophobicContact CE1-CB 4Å; F209-N253 HydrophobicContact CG-CB 4.5Å; I210-N253 PolarHBondContact N-O 3.04Å
254	I	88.4	Confident	86.2	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.01	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127.6	175.9	-49.3	-53.3	0	0	0	108.3	F73 I210 M236 V239 A240 Y243 V252 L353	F73-I254 WeakPolarHBondContact CA-O 3.1Å; I210-I254 HydrophobicContact CB-CD1 4.06Å; I210-I254 HydrophobicContact CD1-CD1 3.74Å; I210-I254 HydrophobicContact CG1-CD1 4.33Å; M236-I254 HydrophobicContact CE-CG2 3.84Å; V239-I254 HydrophobicContact CG1-CG1 4.34Å; A240-I254 HydrophobicContact CB-CB 3.95Å; A240-I254 HydrophobicContact CB-CG1 4.34Å; Y243-I254 HydrophobicContact CD1-CD1 4.45Å; Y243-I254 HydrophobicContact CD2-CD1 4.16Å; Y243-I254 HydrophobicContact CD2-CG1 4.29Å; Y243-I254 HydrophobicContact CG-CD1 3.95Å; Y243-I254 HydrophobicContact CG-CG1 4.23Å; V252-I254 HydrophobicContact CG1-CD1 4.21Å; I254-L353 HydrophobicContact CD1-CD2 3.6Å
255	V	87.8	Confident	86.5	Confident	6 Å²	6	28.5 Å²	28.5	4%	0.036	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	104.1	-177.1	-175.2	0	0	0	0	109.5	F73 F209 I210 E211 T212 V257 P417	F73-V255 CarbonylContact O-C 3.51Å; F73-V255 WeakPolarHBondContact O-CA 3.4Å; F209-V255 HydrophobicContact CD1-CG2 4.3Å; I210-V255 PolarHBondContact O-N 2.86Å; E211-V255 WeakPolarHBondContact CA-O 2.99Å; T212-V255 PolarHBondContact N-O 2.86Å; V255-V257 PolarHBondContact O-N 2.71Å; V255-P417 HydrophobicContact CB-CG 4.29Å; V255-P417 HydrophobicContact CG1-CB 4.3Å; V255-P417 HydrophobicContact CG1-CG 3.99Å; V255-P417 HydrophobicContact CG2-CG 3.95Å
256	V	87.3	Confident	86.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	112.3	174.3	-171.8	0	0	0	0	108.7	F73 L74 S75 F78 T212 A214 L233 M236	F73-V256 HydrophobicContact CD2-CG2 4.09Å; F73-V256 PolarHBondContact O-N 3.02Å; L74-V256 HydrophobicContact CD2-CB 4.17Å; S75-V256 WeakPolarHBondContact CB-O 3.48Å; S75-V256 PolarHBondContact N-O 3.14Å; F78-V256 HydrophobicContact CD2-CB 4.47Å; F78-V256 HydrophobicContact CD2-CG1 4.02Å; F78-V256 WeakPolarHBondContact CD2-O 3.34Å; F78-V256 HydrophobicContact CE2-CB 4.46Å; F78-V256 HydrophobicContact CE2-CG1 3.66Å; T212-V256 WeakPolarHBondContact O-CA 3.45Å; A214-V256 HydrophobicContact CB-CG1 4.37Å; L233-V256 HydrophobicContact CD2-CG1 4.21Å; M236-V256 HydrophobicContact CB-CG2 3.66Å; M236-V256 HydrophobicContact CE-CG2 4.06Å; M236-V256 HydrophobicContact CG-CG2 3.81Å
257	V	85.3	Confident	86.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-31.3	178.7	-67.8	0	0	0	0	112.4	F78 E211 T212 V255 H299 Y300	F78-V257 WeakPolarHBondContact CA-O 3.09Å; E211-V257 HydrophobicContact CB-CG1 3.79Å; E211-V257 HydrophobicContact CG-CG1 3.99Å; T212-V257 WeakPolarHBondContact O-CG2 3.34Å; T212-V257 PolarHBondContact O-N 2.93Å; V255-V257 PolarHBondContact O-N 2.71Å; V257-H299 VanDerWaalsContact CG2-O 3.31Å; V257-H299 WeakPolarHBondContact CG2-O 3.29Å; V257-Y300 HydrophobicContact CG2-CD1 4.15Å; V257-Y300 HydrophobicContact CG2-CG 4.4Å
258	K	84.8	Confident	86.6	Confident	8 Å²	8	33.6 Å²	33.6	4%	0.035	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	146.8	-171.7	-168.1	164.2	-174.8	170.2	0	110.4	N79 L213 A214 E298	N79-K258 WeakPolarHBondContact O-CA 3.42Å; L213-K258 HydrophobicContact CD1-CB 4.09Å; L213-K258 HydrophobicContact CD1-CG 4.25Å; A214-K258 PolarHBondContact N-O 2.83Å; A214-K258 VanDerWaalsContact N-O 3.08Å; K258-E298 HydrophobicContact CD-CB 4.42Å; K258-E298 IonicContact NZ-OE1 3.61Å; K258-E298 IonicContact NZ-OE2 2.7Å; K258-E298 PolarHBondContact NZ-OE2 3.1Å
259	M	87.6	Confident	86.4	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.3	167.4	-173.4	179.9	-177.9	0	0	110.2	F78 N79 I80 Q81 A214 A216 K229 V232 L233 V261	F78-M259 HydrophobicContact CE2-CB 4.01Å; F78-M259 HydrophobicContact CZ-CB 3.98Å; N79-M259 PolarHBondContact O-N 2.84Å; I80-M259 WeakPolarHBondContact CA-O 3.27Å; I80-M259 HydrophobicContact CB-CB 4.5Å; I80-M259 HydrophobicContact CD1-SD 4.44Å; I80-M259 HydrophobicContact CG1-CB 4.17Å; I80-M259 HydrophobicContact CG2-CB 4.23Å; I80-M259 HydrophobicContact CG2-CG 4.43Å; I80-M259 HydrophobicContact CG2-SD 4.4Å; Q81-M259 PolarHBondContact N-O 2.91Å; A214-M259 CarbonylContact O-C 3.56Å; A214-M259 VanDerWaalsContact O-CA 3.27Å; A214-M259 WeakPolarHBondContact O-CA 3.48Å; A216-M259 HydrophobicContact CB-CE 4.46Å; K229-M259 HydrophobicContact CG-SD 4.48Å; V232-M259 HydrophobicContact CB-CE 3.57Å; V232-M259 HydrophobicContact CG1-CE 4.08Å; V232-M259 HydrophobicContact CG2-CE 3.76Å; L233-M259 HydrophobicContact CG-SD 4.33Å; M259-V261 HydrophobicContact CE-CG2 3.95Å; M259-V261 HydrophobicContact CG-CG2 4.35Å; M259-V261 HydrophobicContact SD-CG2 4.38Å
260	L	89.7	Confident	86.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.2	168.9	-67.9	173	0	0	0	110.2	Q81 V83 L213 A214 V215 A216 W285 F289	Q81-L260 HydrophobicContact CB-CD2 3.87Å; Q81-L260 HydrophobicContact CG-CD2 3.88Å; Q81-L260 WeakPolarHBondContact O-CA 3.41Å; V83-L260 HydrophobicContact CG2-CD2 3.97Å; L213-L260 HydrophobicContact CD1-CB 4.36Å; L213-L260 HydrophobicContact CD1-CD1 3.96Å; L213-L260 HydrophobicContact CD1-CG 3.84Å; L213-L260 HydrophobicContact CD2-CD1 4.01Å; A214-L260 PolarHBondContact O-N 2.89Å; V215-L260 WeakPolarHBondContact CA-O 3.27Å; V215-L260 HydrophobicContact CG1-CB 4.14Å; V215-L260 HydrophobicContact CG2-CB 4.22Å; V215-L260 HydrophobicContact CG2-CD1 4.43Å; A216-L260 PolarHBondContact N-O 3.39Å; L260-W285 HydrophobicContact CD1-CH2 3.85Å; L260-W285 HydrophobicContact CD1-CZ3 3.9Å; L260-F289 HydrophobicContact CD1-CB 4.06Å; L260-F289 HydrophobicContact CD1-CD1 3.92Å; L260-F289 HydrophobicContact CD1-CD2 3.93Å; L260-F289 HydrophobicContact CD1-CE1 4.33Å; L260-F289 HydrophobicContact CD1-CE2 4.36Å; L260-F289 HydrophobicContact CD1-CG 3.7Å; L260-F289 HydrophobicContact CD2-CD1 4.24Å; L260-F289 HydrophobicContact CD2-CE1 4.41Å
261	V	89.1	Confident	86.1	Confident	6 Å²	6	39.8 Å²	39.8	4%	0.036	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	107.4	180	178.7	0	0	0	0	107.5	I80 Q81 G82 V83 T221 I228 K229 M259	I80-V261 HydrophobicContact CG2-CG2 4.07Å; Q81-V261 PolarHBondContact O-N 3.19Å; G82-V261 CarbonylContact C-O 2.97Å; G82-V261 WeakPolarHBondContact CA-O 3.25Å; V83-V261 PolarHBondContact N-O 3.01Å; T221-V261 HydrophobicContact CG2-CG1 3.43Å; T221-V261 VanDerWaalsContact CG2-CG1 3.43Å; I228-V261 HydrophobicContact CG2-CG1 4.13Å; K229-V261 HydrophobicContact CG-CG2 4.34Å; M259-V261 HydrophobicContact CE-CG2 3.95Å; M259-V261 HydrophobicContact CG-CG2 4.35Å; M259-V261 HydrophobicContact SD-CG2 4.38Å
262	V	90.1	Very high	85.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	119.5	179.3	-179.4	0	0	0	0	109.2	V83 V215 A216 D217 S218 T221 D264 W285	V83-V262 HydrophobicContact CB-CG2 4.42Å; V215-V262 HydrophobicContact CG1-CG2 4.41Å; A216-V262 WeakPolarHBondContact O-CB 3.03Å; A216-V262 PolarHBondContact O-N 2.86Å; D217-V262 CarbonylContact C-O 3.46Å; S218-V262 WeakPolarHBondContact CA-O 3.27Å; T221-V262 WeakPolarHBondContact CG2-O 3.08Å; T221-V262 PolarHBondContact OG1-O 3.21Å; V262-D264 WeakPolarHBondContact CG1-O 3.47Å; V262-W285 HydrophobicContact CG2-CH2 4.1Å; V262-W285 HydrophobicContact CG2-CZ2 4.11Å
263	E	83.8	Confident	85.4	Confident	95 Å²	95	44.4 Å²	44.4	44%	0.444	23%	0.233	S	C	.	.			trans	-92.8	-44.4	-180	-65.2	171.8	174.2	0	0	110.3	V83	V83-E263 PolarHBondContact O-N 2.89Å
264	D	81.6	Confident	85.3	Confident	71 Å²	71	45.4 Å²	45.4	38%	0.38	24%	0.238	S	C	.	.	S	Bend	trans	-106.9	132.3	178.3	-61.4	-62	0	0	0	112.1	S84 A85 V262 E266 A267	S84-D264 WeakPolarHBondContact CA-OD2 3.29Å; S84-D264 WeakPolarHBondContact CB-OD2 3.28Å; A85-D264 HydrophobicContact CB-CB 3.62Å; A85-D264 PolarHBondContact N-OD2 2.7Å; V262-D264 WeakPolarHBondContact CG1-O 3.47Å; D264-E266 VanDerWaalsContact C-N 3.31Å; D264-E266 PolarHBondContact O-N 3.07Å; D264-A267 PolarHBondContact O-N 3.21Å
265	E	82.6	Confident	85	Confident	161 Å²	161	45.3 Å²	45.3	75%	0.752	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-55.5	-42.3	179.3	-169.4	-175.8	154.3	0	0	112.6	A267 G268	E265-A267 PolarHBondContact O-N 2.99Å; E265-A267 VanDerWaalsContact O-N 3.08Å; E265-G268 PolarHBondContact O-N 2.87Å
266	E	81.9	Confident	84.7	Confident	184 Å²	184	47.2 Å²	47.2	86%	0.86	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-62	-16.3	178.7	-61.5	-171.6	171.3	0	0	114.3	A85 D264	A85-E266 HydrophobicContact CB-CB 4.17Å; D264-E266 VanDerWaalsContact C-N 3.31Å; D264-E266 PolarHBondContact O-N 3.07Å
267	A	81.6	Confident	84.5	Confident	15 Å²	15	49.1 Å²	49.1	12%	0.124	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-101.1	-9.2	178.3	0	0	0	0	0	113.3	V83 D264 E265 W285	V83-A267 HydrophobicContact CG1-CB 3.87Å; D264-A267 PolarHBondContact O-N 3.21Å; E265-A267 PolarHBondContact O-N 2.99Å; E265-A267 VanDerWaalsContact O-N 3.08Å; A267-W285 PolarHBondContact O-NE1 3.21Å
268	G	84.7	Confident	84.7	Confident	15 Å²	15	49.1 Å²	49.1	16%	0.155	27%	0.27	C	S	.	.	S	Bend	trans	-82.7	-178.5	178.7	0	0	0	0	0	114.5	E265 W285	E265-G268 PolarHBondContact O-N 2.87Å; G268-W285 PolarHBondContact O-NE1 3Å
269	P	87.3	Confident	84.9	Confident	8 Å²	8	49.2 Å²	49.2	5%	0.052	27%	0.271	C	S	.	.			trans	-69.9	138.6	165.4	30.2	-33.7	0	0	0	110.6	L271 F282 W285 L305	P269-L271 HydrophobicContact CB-CD2 4.47Å; P269-L271 HydrophobicContact CG-CD2 4.06Å; P269-L271 WeakPolarHBondContact O-CG 3.26Å; P269-L271 PolarHBondContact O-N 3.48Å; P269-F282 HydrophobicContact CB-CB 4.26Å; P269-F282 HydrophobicContact CB-CD2 4.29Å; P269-F282 HydrophobicContact CG-CD2 4.16Å; P269-W285 HydrophobicContact CB-CB 3.91Å; P269-W285 HydrophobicContact CB-CD2 4.21Å; P269-W285 HydrophobicContact CB-CG 3.88Å; P269-W285 HydrophobicContact CG-CD2 4.48Å; P269-L305 HydrophobicContact CG-CD1 4.33Å; P269-L305 HydrophobicContact CG-CD2 3.93Å
270	E	86.1	Confident	85	Confident	150 Å²	150	56.2 Å²	56.2	70%	0.701	30%	0.298	S	S	*	.			trans	-60.6	108.9	172.5	-77.3	-176	176	0	0	111	N281	E270-N281 HydrophobicContact CB-CB 4.42Å; E270-N281 WeakPolarHBondContact CB-ND2 3.49Å; E270-N281 VanDerWaalsContact O-CB 3.24Å; E270-N281 WeakPolarHBondContact O-CB 3.38Å; E270-N281 PolarHBondContact O-ND2 3.03Å
271	L	85.2	Confident	85.1	Confident	56 Å²	56	57.5 Å²	57.5	29%	0.293	31%	0.305	S	S	.	.			trans	-86.6	157.8	178.7	-58.9	-170	0	0	0	112.9	D217 P269 L305 T307 E309	D217-L271 HydrophobicContact CB-CD1 4.23Å; D217-L271 VanDerWaalsContact OD2-CD1 3.26Å; D217-L271 WeakPolarHBondContact OD2-CD1 3.34Å; P269-L271 HydrophobicContact CB-CD2 4.47Å; P269-L271 HydrophobicContact CG-CD2 4.06Å; P269-L271 WeakPolarHBondContact O-CG 3.26Å; P269-L271 PolarHBondContact O-N 3.48Å; L271-L305 HydrophobicContact CD2-CD2 3.71Å; L271-T307 HydrophobicContact CD1-CG2 4.5Å; L271-T307 VanDerWaalsContact CD1-OG1 3.29Å; L271-T307 WeakPolarHBondContact CD1-OG1 3.26Å; L271-E309 HydrophobicContact CD1-CG 4.32Å
272	S	84	Confident	85.4	Confident	43 Å²	43	57.2 Å²	57.2	30%	0.301	30%	0.303	S	S	.	.			trans	-159.9	136.1	-178.7	-178.9	0	0	0	0	108.7	N274	S272-N274 CarbonylContact O-C 3.45Å; S272-N274 PolarHBondContact O-N 3.45Å; S272-N274 PolarHBondContact OG-N 2.73Å
273	S	79.4	Confident	85.5	Confident	70 Å²	70	57.6 Å²	57.6	49%	0.49	31%	0.305	S	S	.	.	S	Bend	trans	-64.4	-1.7	172.9	57.8	0	0	0	0	114	D310 C312	S273-D310 VanDerWaalsContact CA-O 3.23Å; S273-D310 WeakPolarHBondContact CA-O 3.28Å; S273-D310 WeakPolarHBondContact CB-O 3.48Å; S273-C312 CarbonylContact O-C 3.54Å; S273-C312 VanDerWaalsContact O-CA 3.27Å; S273-C312 WeakPolarHBondContact O-CA 3.23Å; S273-C312 WeakPolarHBondContact O-CB 3.4Å; S273-C312 PolarHBondContact O-N 2.69Å; S273-C312 VanDerWaalsContact O-O 3.1Å
274	N	83.1	Confident	86	Confident	63 Å²	63	56.7 Å²	56.7	34%	0.337	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-86.9	104.6	160.7	-170.1	-75	0	0	0	109.5	S272 G276 V277 A278	S272-N274 CarbonylContact O-C 3.45Å; S272-N274 PolarHBondContact O-N 3.45Å; S272-N274 PolarHBondContact OG-N 2.73Å; N274-G276 PolarHBondContact O-N 3.28Å; N274-G276 VanDerWaalsContact O-N 3.1Å; N274-G276 PolarHBondContact OD1-N 3.26Å; N274-V277 HydrophobicContact CB-CB 4.13Å; N274-V277 HydrophobicContact CB-CG2 4Å; N274-V277 WeakPolarHBondContact O-CA 3.45Å; N274-V277 WeakPolarHBondContact O-CB 3.22Å; N274-V277 PolarHBondContact O-N 2.85Å; N274-V277 PolarHBondContact OD1-N 2.96Å; N274-A278 PolarHBondContact O-N 3.03Å
275	G	81.2	Confident	86.6	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-57.5	-29.9	-175.6	0	0	0	0	0	115	V277 A278 L279 C312	G275-V277 VanDerWaalsContact C-N 3.31Å; G275-V277 PolarHBondContact O-N 3.12Å; G275-A278 PolarHBondContact O-N 3.34Å; G275-L279 VanDerWaalsContact O-CB 3.26Å; G275-L279 WeakPolarHBondContact O-CB 3.37Å; G275-L279 PolarHBondContact O-N 2.75Å; G275-C312 PolarHBondContact N-O 3.01Å
276	G	82.3	Confident	87.1	Confident	46 Å²	46	47 Å²	47	47%	0.474	26%	0.261	S	S	.	.	H	α-helix	trans	-72.1	-20.7	173.9	0	0	0	0	0	114.5	N274	N274-G276 PolarHBondContact O-N 3.28Å; N274-G276 VanDerWaalsContact O-N 3.1Å; N274-G276 PolarHBondContact OD1-N 3.26Å
277	V	84.3	Confident	87.6	Confident	39 Å²	39	41.3 Å²	41.3	24%	0.236	23%	0.234	C	C	.	.	H	α-helix	trans	-83.3	-48.7	169.9	172	0	0	0	0	109.9	N274 G275 L279 R280 N281	N274-V277 HydrophobicContact CB-CB 4.13Å; N274-V277 HydrophobicContact CB-CG2 4Å; N274-V277 WeakPolarHBondContact O-CA 3.45Å; N274-V277 WeakPolarHBondContact O-CB 3.22Å; N274-V277 PolarHBondContact O-N 2.85Å; N274-V277 PolarHBondContact OD1-N 2.96Å; G275-V277 VanDerWaalsContact C-N 3.31Å; G275-V277 PolarHBondContact O-N 3.12Å; V277-L279 PolarHBondContact O-N 2.65Å; V277-R280 PolarHBondContact O-N 2.04Å; V277-N281 WeakPolarHBondContact O-CB 3.5Å; V277-N281 VanDerWaalsContact O-CG 3.25Å; V277-N281 PolarHBondContact O-N 2.91Å; V277-N281 PolarHBondContact O-OD1 2.93Å
278	A	87.9	Confident	88	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56	-49	177.5	0	0	0	0	0	111.9	N274 G275 R280 N281 F282	N274-A278 PolarHBondContact O-N 3.03Å; G275-A278 PolarHBondContact O-N 3.34Å; A278-R280 PolarHBondContact O-N 3.33Å; A278-N281 PolarHBondContact O-N 3.17Å; A278-F282 WeakPolarHBondContact O-CB 3.46Å; A278-F282 PolarHBondContact O-N 3.3Å
279	L	89.4	Confident	88.2	Confident	10 Å²	10	48.6 Å²	48.6	5%	0.052	27%	0.265	C	S	.	.	H	α-helix	trans	-56.8	-51.7	176.7	176.8	61.8	0	0	0	111.6	G275 V277 N281 F282 C283 V322 C335 V337	G275-L279 VanDerWaalsContact O-CB 3.26Å; G275-L279 WeakPolarHBondContact O-CB 3.37Å; G275-L279 PolarHBondContact O-N 2.75Å; V277-L279 PolarHBondContact O-N 2.65Å; L279-N281 VanDerWaalsContact C-N 3.31Å; L279-N281 PolarHBondContact O-N 3.28Å; L279-F282 PolarHBondContact O-N 3.27Å; L279-C283 VanDerWaalsContact CD1-SG 3.57Å; L279-C283 WeakPolarHBondContact O-CB 3.31Å; L279-C283 PolarHBondContact O-N 2.94Å; L279-C283 PolarHBondContact O-SG 2.96Å; L279-V322 HydrophobicContact CD2-CG1 3.96Å; L279-C335 HydrophobicContact CD1-CB 4.32Å; L279-C335 WeakPolarHBondContact CD1-O 3.49Å; L279-V337 HydrophobicContact CB-CG2 4.31Å; L279-V337 HydrophobicContact CD1-CG2 4.28Å
280	R	89.1	Confident	88.4	Confident	148 Å²	148	49.6 Å²	49.6	56%	0.558	27%	0.27	S	S	*	.	H	α-helix	trans	-60.5	-41.3	-179.9	-174.9	-160.4	66.2	-137.9	-6.4	112	V277 A278 S284	V277-R280 PolarHBondContact O-N 2.04Å; A278-R280 PolarHBondContact O-N 3.33Å; R280-S284 PolarHBondContact O-N 2.9Å; R280-S284 VanDerWaalsContact O-N 3.13Å
281	N	91.8	Very high	88.4	Confident	27 Å²	27	43.5 Å²	43.5	14%	0.144	24%	0.243	C	C	.	.	H	α-helix	trans	-66.7	-48.3	179.7	-73.5	6.4	0	0	0	110.7	E270 V277 A278 L279 S284 W285	E270-N281 HydrophobicContact CB-CB 4.42Å; E270-N281 WeakPolarHBondContact CB-ND2 3.49Å; E270-N281 VanDerWaalsContact O-CB 3.24Å; E270-N281 WeakPolarHBondContact O-CB 3.38Å; E270-N281 PolarHBondContact O-ND2 3.03Å; V277-N281 WeakPolarHBondContact O-CB 3.5Å; V277-N281 VanDerWaalsContact O-CG 3.25Å; V277-N281 PolarHBondContact O-N 2.91Å; V277-N281 PolarHBondContact O-OD1 2.93Å; A278-N281 PolarHBondContact O-N 3.17Å; L279-N281 VanDerWaalsContact C-N 3.31Å; L279-N281 PolarHBondContact O-N 3.28Å; N281-S284 PolarHBondContact O-N 2.85Å; N281-W285 PolarHBondContact O-N 3.21Å
282	F	95.7	Very high	88.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-45.8	174.5	173.8	-121.5	0	0	0	112.7	V215 P269 A278 L279 S284 W285 Q286 A303 L305 C335 S336 V337	V215-F282 HydrophobicContact CB-CE2 4.17Å; V215-F282 HydrophobicContact CB-CZ 4.41Å; V215-F282 HydrophobicContact CG1-CE2 4.48Å; V215-F282 HydrophobicContact CG2-CE2 3.84Å; V215-F282 HydrophobicContact CG2-CZ 3.96Å; P269-F282 HydrophobicContact CB-CB 4.26Å; P269-F282 HydrophobicContact CB-CD2 4.29Å; P269-F282 HydrophobicContact CG-CD2 4.16Å; A278-F282 WeakPolarHBondContact O-CB 3.46Å; A278-F282 PolarHBondContact O-N 3.3Å; L279-F282 PolarHBondContact O-N 3.27Å; F282-S284 PolarHBondContact O-N 2.82Å; F282-W285 HydrophobicContact CD2-CE3 4.2Å; F282-W285 HydrophobicContact CE2-CE3 4.13Å; F282-W285 HydrophobicContact CE2-CZ3 4.34Å; F282-W285 PolarHBondContact O-N 3.2Å; F282-Q286 HydrophobicContact CE2-CB 4.12Å; F282-Q286 HydrophobicContact CZ-CB 4.31Å; F282-Q286 WeakPolarHBondContact O-CG 3.43Å; F282-Q286 PolarHBondContact O-N 3.5Å; F282-A303 HydrophobicContact CE1-CB 4.08Å; F282-A303 WeakPolarHBondContact CE1-O 3.28Å; F282-A303 HydrophobicContact CZ-CB 3.78Å; F282-L305 HydrophobicContact CB-CD2 4.11Å; F282-L305 HydrophobicContact CD1-CB 3.7Å; F282-L305 HydrophobicContact CD2-CB 3.9Å; F282-L305 HydrophobicContact CD2-CD1 4.32Å; F282-L305 HydrophobicContact CD2-CD2 4.01Å; F282-L305 HydrophobicContact CD2-CG 4.32Å; F282-L305 HydrophobicContact CE1-CB 3.61Å; F282-L305 HydrophobicContact CE2-CB 3.83Å; F282-L305 HydrophobicContact CE2-CD1 4.26Å; F282-L305 HydrophobicContact CE2-CG 4.47Å; F282-L305 HydrophobicContact CG-CB 3.84Å; F282-L305 HydrophobicContact CG-CD2 3.96Å; F282-L305 HydrophobicContact CG-CG 4.46Å; F282-L305 HydrophobicContact CZ-CB 3.68Å; F282-C335 HydrophobicContact CD1-CB 4.14Å; F282-C335 HydrophobicContact CE1-CB 4.07Å; F282-S336 WeakPolarHBondContact CE1-O 3.34Å; F282-V337 HydrophobicContact CB-CG2 4.11Å; F282-V337 HydrophobicContact CD1-CG2 4.03Å; F282-V337 HydrophobicContact CG-CG2 4.39Å
283	C	93	Very high	87.9	Confident	7 Å²	7	48.7 Å²	48.7	5%	0.047	28%	0.281	C	S	.	.	H	α-helix	trans	-56.1	-32.7	175	-76.2	0	0	0	0	113	L279 Q286 Q287 C335	L279-C283 VanDerWaalsContact CD1-SG 3.57Å; L279-C283 WeakPolarHBondContact O-CB 3.31Å; L279-C283 PolarHBondContact O-N 2.94Å; L279-C283 PolarHBondContact O-SG 2.96Å; C283-Q286 PolarHBondContact O-NE2 3.47Å; C283-Q287 PolarHBondContact O-NE2 2.84Å; C283-C335 WeakPolarHBondContact CA-SG 3.38Å; C283-C335 HydrophobicContact CB-CB 4.21Å; C283-C335 WeakPolarHBondContact CB-SG 3.42Å; C283-C335 WeakPolarHBondContact SG-CB 3.41Å; C283-C335 CovalentContact SG-SG 2.03Å; C283-C335 PolarHBondContact SG-SG 2.71Å
284	S	93.2	Very high	87.7	Confident	77 Å²	77	49.5 Å²	49.5	54%	0.538	28%	0.277	S	S	.	.	H	α-helix	trans	-81	-33.5	174.7	-163.1	0	0	0	0	113.1	R280 N281 F282	R280-S284 PolarHBondContact O-N 2.9Å; R280-S284 VanDerWaalsContact O-N 3.13Å; N281-S284 PolarHBondContact O-N 2.85Å; F282-S284 PolarHBondContact O-N 2.82Å
285	W	94.7	Very high	87.3	Confident	25 Å²	25	57.4 Å²	57.4	10%	0.095	30%	0.302	C	S	.	.	H	α-helix	trans	-72.2	-43.5	179.7	-179.4	97.4	0	0	0	112.1	V83 V215 L260 V262 A267 G268 P269 N281 F282 Q287 L288 F289	V83-W285 HydrophobicContact CG1-CZ2 4.42Å; V215-W285 HydrophobicContact CG1-CH2 4.06Å; V215-W285 HydrophobicContact CG1-CZ3 3.91Å; V215-W285 HydrophobicContact CG2-CZ3 4.26Å; L260-W285 HydrophobicContact CD1-CH2 3.85Å; L260-W285 HydrophobicContact CD1-CZ3 3.9Å; V262-W285 HydrophobicContact CG2-CH2 4.1Å; V262-W285 HydrophobicContact CG2-CZ2 4.11Å; A267-W285 PolarHBondContact O-NE1 3.21Å; G268-W285 PolarHBondContact O-NE1 3Å; P269-W285 HydrophobicContact CB-CB 3.91Å; P269-W285 HydrophobicContact CB-CD2 4.21Å; P269-W285 HydrophobicContact CB-CG 3.88Å; P269-W285 HydrophobicContact CG-CD2 4.48Å; N281-W285 PolarHBondContact O-N 3.21Å; F282-W285 HydrophobicContact CD2-CE3 4.2Å; F282-W285 HydrophobicContact CE2-CE3 4.13Å; F282-W285 HydrophobicContact CE2-CZ3 4.34Å; F282-W285 PolarHBondContact O-N 3.2Å; W285-Q287 PolarHBondContact O-N 3.03Å; W285-Q287 VanDerWaalsContact O-N 3.15Å; W285-L288 WeakPolarHBondContact O-CB 3.38Å; W285-L288 WeakPolarHBondContact O-CG 3.1Å; W285-L288 PolarHBondContact O-N 2.97Å; W285-L288 VanDerWaalsContact O-N 3.07Å; W285-F289 HydrophobicContact CD2-CE2 4.02Å; W285-F289 AromaticContact CE2-CE2 3.72Å; W285-F289 HydrophobicContact CE3-CD2 4.28Å; W285-F289 HydrophobicContact CE3-CE2 4.12Å; W285-F289 HydrophobicContact CH2-CD2 4.23Å; W285-F289 AromaticContact CH2-CE2 3.68Å; W285-F289 HydrophobicContact CH2-CE2 3.68Å; W285-F289 HydrophobicContact CH2-CZ 4.19Å; W285-F289 HydrophobicContact CZ2-CD2 4.5Å; W285-F289 AromaticContact CZ2-CE2 3.57Å; W285-F289 HydrophobicContact CZ2-CE2 3.57Å; W285-F289 AromaticContact CZ2-CZ 3.96Å; W285-F289 HydrophobicContact CZ2-CZ 3.96Å; W285-F289 HydrophobicContact CZ3-CD2 4.1Å; W285-F289 AromaticContact CZ3-CE2 3.94Å; W285-F289 HydrophobicContact CZ3-CE2 3.94Å
286	Q	93.6	Very high	87.1	Confident	3 Å²	3	61.5 Å²	61.5	1%	0.014	32%	0.321	C	S	.	.	H	α-helix	trans	-60.6	-28.7	-178.4	65.3	78.3	5.5	0	0	113.1	L213 F282 C283 L288 F289 N290 Y300 A303 P331	L213-Q286 HydrophobicContact CD2-CB 4.37Å; F282-Q286 HydrophobicContact CE2-CB 4.12Å; F282-Q286 HydrophobicContact CZ-CB 4.31Å; F282-Q286 WeakPolarHBondContact O-CG 3.43Å; F282-Q286 PolarHBondContact O-N 3.5Å; C283-Q286 PolarHBondContact O-NE2 3.47Å; Q286-L288 PolarHBondContact O-N 3.11Å; Q286-L288 VanDerWaalsContact O-N 3.14Å; Q286-F289 PolarHBondContact O-N 3.04Å; Q286-N290 PolarHBondContact O-N 3.37Å; Q286-Y300 PolarHBondContact O-OH 2.61Å; Q286-A303 HydrophobicContact CB-CB 4.03Å; Q286-A303 HydrophobicContact CG-CB 3.96Å; Q286-P331 PolarHBondContact NE2-O 2.97Å; Q286-P331 VanDerWaalsContact NE2-O 3.07Å
287	Q	91.9	Very high	86.8	Confident	64 Å²	64	62.7 Å²	62.7	30%	0.299	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.8	178.4	-74.7	170.5	67.7	0	0	113	C283 W285 F289	C283-Q287 PolarHBondContact O-NE2 2.84Å; W285-Q287 PolarHBondContact O-N 3.03Å; W285-Q287 VanDerWaalsContact O-N 3.15Å; Q287-F289 PolarHBondContact O-N 3.24Å
288	L	89.6	Confident	86.6	Confident	137 Å²	137	63 Å²	63	72%	0.717	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.7	174.9	-58.5	173.8	0	0	0	112.8	W285 Q286	W285-L288 WeakPolarHBondContact O-CB 3.38Å; W285-L288 WeakPolarHBondContact O-CG 3.1Å; W285-L288 PolarHBondContact O-N 2.97Å; W285-L288 VanDerWaalsContact O-N 3.07Å; Q286-L288 PolarHBondContact O-N 3.11Å; Q286-L288 VanDerWaalsContact O-N 3.14Å
289	F	89.4	Confident	86.6	Confident	47 Å²	47	63.7 Å²	63.7	21%	0.206	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-5.6	-175.3	-59.8	-88.2	0	0	0	113.6	V83 L260 W285 Q286 Q287 P291 Y300	V83-F289 HydrophobicContact CG2-CE1 4.44Å; V83-F289 HydrophobicContact CG2-CZ 4.46Å; L260-F289 HydrophobicContact CD1-CB 4.06Å; L260-F289 HydrophobicContact CD1-CD1 3.92Å; L260-F289 HydrophobicContact CD1-CD2 3.93Å; L260-F289 HydrophobicContact CD1-CE1 4.33Å; L260-F289 HydrophobicContact CD1-CE2 4.36Å; L260-F289 HydrophobicContact CD1-CG 3.7Å; L260-F289 HydrophobicContact CD2-CD1 4.24Å; L260-F289 HydrophobicContact CD2-CE1 4.41Å; W285-F289 HydrophobicContact CD2-CE2 4.02Å; W285-F289 AromaticContact CE2-CE2 3.72Å; W285-F289 HydrophobicContact CE3-CD2 4.28Å; W285-F289 HydrophobicContact CE3-CE2 4.12Å; W285-F289 HydrophobicContact CH2-CD2 4.23Å; W285-F289 AromaticContact CH2-CE2 3.68Å; W285-F289 HydrophobicContact CH2-CE2 3.68Å; W285-F289 HydrophobicContact CH2-CZ 4.19Å; W285-F289 HydrophobicContact CZ2-CD2 4.5Å; W285-F289 AromaticContact CZ2-CE2 3.57Å; W285-F289 HydrophobicContact CZ2-CE2 3.57Å; W285-F289 AromaticContact CZ2-CZ 3.96Å; W285-F289 HydrophobicContact CZ2-CZ 3.96Å; W285-F289 HydrophobicContact CZ3-CD2 4.1Å; W285-F289 AromaticContact CZ3-CE2 3.94Å; W285-F289 HydrophobicContact CZ3-CE2 3.94Å; Q286-F289 PolarHBondContact O-N 3.04Å; Q287-F289 PolarHBondContact O-N 3.24Å; F289-P291 WeakPolarHBondContact O-CD 3.28Å; F289-Y300 WeakPolarHBondContact CB-OH 3.33Å
290	N	91.3	Very high	86.7	Confident	28 Å²	28	63.3 Å²	63.3	15%	0.15	32%	0.32	C	S	.	.	S	Bend	trans	-93.5	114.1	-177.3	-159.5	-20.2	0	0	0	111.6	Q286 H299 Y300	Q286-N290 PolarHBondContact O-N 3.37Å; N290-H299 PolarHBondContact OD1-CE1 3.36Å; N290-H299 PolarHBondContact OD1-ND1 3.39Å; N290-Y300 WeakPolarHBondContact CA-OH 3.41Å; N290-Y300 HydrophobicContact CB-CE1 3.93Å; N290-Y300 HydrophobicContact CB-CE2 3.79Å; N290-Y300 VanDerWaalsContact CB-CZ 3.44Å; N290-Y300 WeakPolarHBondContact CB-OH 3.44Å; N290-Y300 PolarHBondContact N-OH 3.07Å; N290-Y300 VanDerWaalsContact N-OH 3.09Å; N290-Y300 WeakPolarHBondContact ND2-CD2 3.33Å; N290-Y300 VanDerWaalsContact ND2-CE2 3.35Å; N290-Y300 WeakPolarHBondContact ND2-CE2 3.23Å; N290-Y300 PolarHBondContact ND2-O 3.41Å
291	P	87.1	Confident	86.9	Confident	22 Å²	22	56.8 Å²	56.8	14%	0.143	30%	0.296	C	S	.	.			trans	-58.6	135.7	173.2	-22.4	32.7	0	0	0	112.1	F289 S293 H296 E298 H299	F289-P291 WeakPolarHBondContact O-CD 3.28Å; P291-S293 PolarHBondContact O-N 2.6Å; P291-H296 HydrophobicContact CB-CB 3.74Å; P291-H296 HydrophobicContact CG-CB 4.21Å; P291-H296 VanDerWaalsContact CG-ND1 3.28Å; P291-H296 WeakPolarHBondContact CG-ND1 3.16Å; P291-E298 VanDerWaalsContact CD-O 3.23Å; P291-E298 WeakPolarHBondContact CD-O 3.25Å; P291-E298 HydrophobicContact CG-CB 4.31Å; P291-H299 PolarHBondContact O-ND1 3.05Å
292	P	78.8	Confident	87.2	Confident	143 Å²	143	55.6 Å²	55.6	93%	0.929	29%	0.29	S	S	*	.	S	Bend	trans	-76.2	15.4	-174.9	32.6	-38.4	0	0	0	114.6
293	S	79.4	Confident	87.3	Confident	66 Å²	66	55.6 Å²	55.6	46%	0.462	29%	0.29	S	S	.	.			trans	-134.9	120.4	179.7	-167.8	0	0	0	0	110.2	P291 R295 H296	P291-S293 PolarHBondContact O-N 2.6Å; S293-R295 PolarHBondContact O-N 2.99Å; S293-H296 VanDerWaalsContact O-CB 3.28Å; S293-H296 WeakPolarHBondContact O-CB 3.46Å; S293-H296 PolarHBondContact O-N 3.33Å
294	Q	75.8	Confident	87.5	Confident	86 Å²	86	55.2 Å²	55.2	40%	0.402	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-22.1	177.8	-63.6	179.7	-82.5	0	0	113.7	H296 C412	Q294-H296 PolarHBondContact O-N 3.47Å; Q294-C412 PolarHBondContact NE2-O 3.18Å
295	R	72.9	Confident	87.7	Confident	230 Å²	230	51.6 Å²	51.6	87%	0.868	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	6.3	176.7	-61.3	-174.8	179.2	-175.8	-0.4	114.5	S293	S293-R295 PolarHBondContact O-N 2.99Å
296	H	78.3	Confident	87.7	Confident	87 Å²	87	50.4 Å²	50.4	40%	0.403	26%	0.257	S	S	.	.	S	Bend	trans	-90.1	130	178	-168.6	-89.6	0	0	0	109.9	P291 S293 Q294 E298 H299	P291-H296 HydrophobicContact CB-CB 3.74Å; P291-H296 HydrophobicContact CG-CB 4.21Å; P291-H296 VanDerWaalsContact CG-ND1 3.28Å; P291-H296 WeakPolarHBondContact CG-ND1 3.16Å; S293-H296 VanDerWaalsContact O-CB 3.28Å; S293-H296 WeakPolarHBondContact O-CB 3.46Å; S293-H296 PolarHBondContact O-N 3.33Å; Q294-H296 PolarHBondContact O-N 3.47Å; H296-E298 PolarHBondContact ND1-N 2.66Å; H296-E298 PolarHBondContact O-N 3.49Å; H296-H299 HydrophobicContact CB-CB 4.38Å; H296-H299 VanDerWaalsContact O-CB 3.26Å; H296-H299 WeakPolarHBondContact O-CB 3.21Å; H296-H299 PolarHBondContact O-N 2.81Å
297	P	75.3	Confident	87.7	Confident	70 Å²	70	50.2 Å²	50.2	46%	0.455	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-6.2	-175.6	-24.7	34.9	0	0	0	116.9	A77	A77-P297 HydrophobicContact CB-CB 3.63Å
298	E	80.4	Confident	87.3	Confident	46 Å²	46	51.3 Å²	51.3	22%	0.215	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	14.8	170.4	-57.9	-165.1	165.3	0	0	113	N79 K258 P291 H296 Y300	N79-E298 PolarHBondContact ND2-OE1 3.49Å; K258-E298 HydrophobicContact CD-CB 4.42Å; K258-E298 IonicContact NZ-OE1 3.61Å; K258-E298 IonicContact NZ-OE2 2.7Å; K258-E298 PolarHBondContact NZ-OE2 3.1Å; P291-E298 VanDerWaalsContact CD-O 3.23Å; P291-E298 WeakPolarHBondContact CD-O 3.25Å; P291-E298 HydrophobicContact CG-CB 4.31Å; H296-E298 PolarHBondContact ND1-N 2.66Å; H296-E298 PolarHBondContact O-N 3.49Å; E298-Y300 WeakPolarHBondContact O-CD1 3.28Å
299	H	87.8	Confident	87.1	Confident	15 Å²	15	49.2 Å²	49.2	7%	0.069	25%	0.245	C	C	.	.			trans	-71	152.3	168.3	-174.1	71.3	0	0	0	110.5	E211 V257 N290 P291 H296	E211-H299 IonicContact OE2-CD2 3.7Å; V257-H299 VanDerWaalsContact CG2-O 3.31Å; V257-H299 WeakPolarHBondContact CG2-O 3.29Å; N290-H299 PolarHBondContact OD1-CE1 3.36Å; N290-H299 PolarHBondContact OD1-ND1 3.39Å; P291-H299 PolarHBondContact O-ND1 3.05Å; H296-H299 HydrophobicContact CB-CB 4.38Å; H296-H299 VanDerWaalsContact O-CB 3.26Å; H296-H299 WeakPolarHBondContact O-CB 3.21Å; H296-H299 PolarHBondContact O-N 2.81Å
300	Y	91.5	Very high	86.5	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.008	26%	0.255	C	S	.	.			trans	-144.8	137.9	174.2	42.2	-84.6	0	0	0	111	E211 L213 V257 Q286 F289 N290 E298 T302 A303	E211-Y300 CarbonylContact O-C 3.59Å; E211-Y300 WeakPolarHBondContact O-CA 3.24Å; E211-Y300 VanDerWaalsContact O-CB 3.26Å; E211-Y300 WeakPolarHBondContact O-CB 3.5Å; L213-Y300 HydrophobicContact CB-CD1 3.81Å; L213-Y300 HydrophobicContact CB-CD2 3.6Å; L213-Y300 HydrophobicContact CB-CE1 3.93Å; L213-Y300 HydrophobicContact CB-CE2 3.71Å; L213-Y300 HydrophobicContact CB-CG 3.65Å; L213-Y300 HydrophobicContact CD2-CD2 4.42Å; L213-Y300 HydrophobicContact CD2-CE1 3.98Å; L213-Y300 HydrophobicContact CD2-CE2 3.64Å; L213-Y300 WeakPolarHBondContact CD2-OH 3.35Å; L213-Y300 HydrophobicContact CG-CE1 4.43Å; L213-Y300 HydrophobicContact CG-CE2 4.31Å; V257-Y300 HydrophobicContact CG2-CD1 4.15Å; V257-Y300 HydrophobicContact CG2-CG 4.4Å; Q286-Y300 PolarHBondContact O-OH 2.61Å; F289-Y300 WeakPolarHBondContact CB-OH 3.33Å; N290-Y300 WeakPolarHBondContact CA-OH 3.41Å; N290-Y300 HydrophobicContact CB-CE1 3.93Å; N290-Y300 HydrophobicContact CB-CE2 3.79Å; N290-Y300 VanDerWaalsContact CB-CZ 3.44Å; N290-Y300 WeakPolarHBondContact CB-OH 3.44Å; N290-Y300 PolarHBondContact N-OH 3.07Å; N290-Y300 VanDerWaalsContact N-OH 3.09Å; N290-Y300 WeakPolarHBondContact ND2-CD2 3.33Å; N290-Y300 VanDerWaalsContact ND2-CE2 3.35Å; N290-Y300 WeakPolarHBondContact ND2-CE2 3.23Å; N290-Y300 PolarHBondContact ND2-O 3.41Å; E298-Y300 WeakPolarHBondContact O-CD1 3.28Å; Y300-T302 VanDerWaalsContact C-N 3.3Å; Y300-A303 HydrophobicContact CD2-CB 4.3Å; Y300-A303 HydrophobicContact CE2-CB 4.08Å
301	D	94.3	Very high	86	Confident	11 Å²	11	49.6 Å²	49.6	6%	0.059	25%	0.248	C	C	.	.	S	Bend	trans	-65.9	-36.2	170.4	-58.4	-69.2	0	0	0	111	E211 M328 S334 C412 L413	E211-D301 PolarHBondContact N-OD2 2.97Å; E211-D301 PolarHBondContact O-N 3.19Å; D301-M328 HydrophobicContact CB-SD 3.91Å; D301-S334 WeakPolarHBondContact O-CB 3.41Å; D301-S334 PolarHBondContact O-OG 2.8Å; D301-C412 WeakPolarHBondContact OD1-CB 3.23Å; D301-C412 PolarHBondContact OD1-SG 3.12Å; D301-L413 HydrophobicContact CB-CD2 3.84Å; D301-L413 VanDerWaalsContact CG-CD2 3.41Å; D301-L413 WeakPolarHBondContact OD2-CD2 3.3Å
302	T	96.8	Very high	85.3	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.8	-171	-152.3	0	0	0	0	114	I210 E211 T212 L213 Y300 M328 S334 L353	I210-T302 HydrophobicContact CG2-CG2 3.77Å; E211-T302 PolarHBondContact O-N 3.47Å; E211-T302 VanDerWaalsContact O-N 3.16Å; T212-T302 WeakPolarHBondContact CA-O 3.46Å; T212-T302 HydrophobicContact CG2-CG2 4.13Å; L213-T302 PolarHBondContact N-O 3.38Å; Y300-T302 VanDerWaalsContact C-N 3.3Å; T302-M328 HydrophobicContact CG2-CE 4.35Å; T302-M328 HydrophobicContact CG2-SD 4.42Å; T302-S334 WeakPolarHBondContact CA-O 3.5Å; T302-S334 WeakPolarHBondContact CA-OG 3Å; T302-S334 WeakPolarHBondContact CB-OG 3.01Å; T302-S334 PolarHBondContact OG1-O 2.81Å; T302-S334 PolarHBondContact OG1-OG 3.25Å; T302-L353 HydrophobicContact CG2-CD1 4.27Å
303	A	97.3	Very high	84.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.9	-179.8	0	0	0	0	0	112.2	L213 F282 Q286 Y300 S334 C335 S336	L213-A303 HydrophobicContact CB-CB 4.13Å; L213-A303 HydrophobicContact CD2-CB 4.11Å; L213-A303 HydrophobicContact CG-CB 4.34Å; L213-A303 WeakPolarHBondContact O-CA 3.43Å; F282-A303 HydrophobicContact CE1-CB 4.08Å; F282-A303 WeakPolarHBondContact CE1-O 3.28Å; F282-A303 HydrophobicContact CZ-CB 3.78Å; Q286-A303 HydrophobicContact CB-CB 4.03Å; Q286-A303 HydrophobicContact CG-CB 3.96Å; Y300-A303 HydrophobicContact CD2-CB 4.3Å; Y300-A303 HydrophobicContact CE2-CB 4.08Å; A303-S334 PolarHBondContact N-O 2.95Å; A303-C335 CarbonylContact O-C 3.53Å; A303-C335 WeakPolarHBondContact O-CA 3.05Å; A303-S336 PolarHBondContact O-N 3.06Å
304	M	98	Very high	83.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.8	178.3	-60.5	-173.6	174.6	0	0	110.2	T212 L213 V215 M236 F306 I338 A349 L353	T212-M304 HydrophobicContact CG2-CE 4.41Å; T212-M304 HydrophobicContact CG2-CG 4.13Å; T212-M304 HydrophobicContact CG2-SD 4.22Å; L213-M304 PolarHBondContact O-N 3.46Å; V215-M304 PolarHBondContact N-O 2.87Å; M236-M304 HydrophobicContact CE-CE 4.39Å; M236-M304 HydrophobicContact CE-SD 3.78Å; M236-M304 HydrophobicContact SD-SD 3.78Å; M304-F306 HydrophobicContact CB-CE2 4.04Å; M304-F306 HydrophobicContact CB-CZ 4.37Å; M304-I338 HydrophobicContact CB-CD1 4.04Å; M304-I338 HydrophobicContact CG-CD1 4.49Å; M304-A349 HydrophobicContact SD-CB 4.12Å; M304-L353 HydrophobicContact CE-CB 3.79Å; M304-L353 HydrophobicContact CE-CD1 3.96Å; M304-L353 HydrophobicContact CE-CD2 3.82Å; M304-L353 HydrophobicContact CE-CG 4.07Å
305	L	97.4	Very high	82.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.3	170.2	-177.8	66.1	0	0	0	110.4	V215 D217 P269 L271 F282 S336 V337 I338	V215-L305 HydrophobicContact CB-CD1 3.8Å; V215-L305 HydrophobicContact CG1-CD1 3.63Å; D217-L305 HydrophobicContact CB-CD1 4.28Å; P269-L305 HydrophobicContact CG-CD1 4.33Å; P269-L305 HydrophobicContact CG-CD2 3.93Å; L271-L305 HydrophobicContact CD2-CD2 3.71Å; F282-L305 HydrophobicContact CB-CD2 4.11Å; F282-L305 HydrophobicContact CD1-CB 3.7Å; F282-L305 HydrophobicContact CD2-CB 3.9Å; F282-L305 HydrophobicContact CD2-CD1 4.32Å; F282-L305 HydrophobicContact CD2-CD2 4.01Å; F282-L305 HydrophobicContact CD2-CG 4.32Å; F282-L305 HydrophobicContact CE1-CB 3.61Å; F282-L305 HydrophobicContact CE2-CB 3.83Å; F282-L305 HydrophobicContact CE2-CD1 4.26Å; F282-L305 HydrophobicContact CE2-CG 4.47Å; F282-L305 HydrophobicContact CG-CB 3.84Å; F282-L305 HydrophobicContact CG-CD2 3.96Å; F282-L305 HydrophobicContact CG-CG 4.46Å; F282-L305 HydrophobicContact CZ-CB 3.68Å; L305-S336 PolarHBondContact N-O 2.03Å; L305-V337 HydrophobicContact CB-CG2 4.3Å; L305-V337 HydrophobicContact CD2-CG1 4.28Å; L305-V337 HydrophobicContact CD2-CG2 4.23Å; L305-I338 WeakPolarHBondContact O-CD1 3.33Å; L305-I338 PolarHBondContact O-N 3.43Å
306	F	94.8	Very high	82.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.5	166.1	-58.5	-86.8	0	0	0	108.9	V215 D217 M220 V232 L235 M236 M304 I338 A349	V215-F306 PolarHBondContact O-N 2.83Å; D217-F306 PolarHBondContact N-O 2.8Å; M220-F306 HydrophobicContact CE-CB 3.71Å; M220-F306 HydrophobicContact CG-CB 4.43Å; M220-F306 WeakPolarHBondContact CG-O 3.37Å; M220-F306 HydrophobicContact SD-CB 4.37Å; V232-F306 HydrophobicContact CG1-CD2 3.77Å; V232-F306 HydrophobicContact CG1-CE2 3.69Å; V232-F306 HydrophobicContact CG2-CD2 4.36Å; L235-F306 HydrophobicContact CD1-CD1 3.7Å; L235-F306 HydrophobicContact CD1-CE1 3.58Å; L235-F306 HydrophobicContact CD1-CG 4.36Å; L235-F306 HydrophobicContact CD1-CZ 4.15Å; M236-F306 HydrophobicContact SD-CE2 4.36Å; M236-F306 HydrophobicContact SD-CZ 4.12Å; M304-F306 HydrophobicContact CB-CE2 4.04Å; M304-F306 HydrophobicContact CB-CZ 4.37Å; F306-I338 WeakPolarHBondContact CA-O 3.44Å; F306-I338 HydrophobicContact CD1-CB 3.93Å; F306-I338 HydrophobicContact CD1-CG2 3.99Å; F306-I338 HydrophobicContact CE1-CB 4.1Å; F306-I338 HydrophobicContact CE1-CD1 4.31Å; F306-I338 HydrophobicContact CE1-CG1 4.32Å; F306-I338 HydrophobicContact CE1-CG2 4.09Å; F306-I338 HydrophobicContact CZ-CD1 4.49Å; F306-A349 HydrophobicContact CE1-CB 4.1Å; F306-A349 HydrophobicContact CZ-CB 4.15Å
307	T	92.9	Very high	81.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	152.9	179.8	179.4	0	0	0	0	111.1	D217 T219 L271 E309 I311 V337 I338 D340	D217-T307 VanDerWaalsContact OD2-CB 3.3Å; D217-T307 WeakPolarHBondContact OD2-CB 3.28Å; D217-T307 PolarHBondContact OD2-OG1 3.31Å; T219-T307 PolarHBondContact OG1-OG1 2.8Å; L271-T307 HydrophobicContact CD1-CG2 4.5Å; L271-T307 VanDerWaalsContact CD1-OG1 3.29Å; L271-T307 WeakPolarHBondContact CD1-OG1 3.26Å; T307-E309 PolarHBondContact OG1-N 3.19Å; T307-I311 HydrophobicContact CG2-CD1 4.11Å; T307-I311 HydrophobicContact CG2-CG1 4.48Å; T307-V337 HydrophobicContact CG2-CG1 4.07Å; T307-I338 PolarHBondContact N-O 2.88Å; T307-I338 VanDerWaalsContact N-O 3.1Å; T307-D340 WeakPolarHBondContact O-CB 3.09Å; T307-D340 PolarHBondContact O-N 2.86Å
308	R	84.4	Confident	81.2	Confident	87 Å²	87	49 Å²	49	33%	0.328	25%	0.252	S	S	.	.	S	Bend	trans	-91.7	0.6	173.9	-52.1	-73.9	-84.6	108.6	5.4	112.9	T219 M220 F223 D340	T219-R308 WeakPolarHBondContact OG1-CB 3.26Å; T219-R308 PolarHBondContact OG1-N 2.86Å; M220-R308 HydrophobicContact CG-CG 4.12Å; M220-R308 VanDerWaalsContact SD-CD 3.51Å; M220-R308 HydrophobicContact SD-CG 3.75Å; F223-R308 HydrophobicContact CB-CG 4.31Å; F223-R308 VanDerWaalsContact CD1-NE 3.33Å; F223-R308 VanDerWaalsContact CE2-NH2 3.34Å; F223-R308 VanDerWaalsContact CZ-NH2 3.32Å; R308-D340 WeakPolarHBondContact CD-OD2 3.39Å; R308-D340 IonicContact CZ-OD2 3.42Å; R308-D340 IonicContact NE-OD2 2.72Å; R308-D340 PolarHBondContact NE-OD2 2.86Å; R308-D340 PolarHBondContact NH1-O 3.07Å; R308-D340 IonicContact NH1-OD2 3.16Å
309	E	85.6	Confident	80.8	Confident	93 Å²	93	49 Å²	49	44%	0.435	26%	0.255	S	S	.	.	S	Bend	trans	-76.7	143.5	176.2	-70.6	-61.1	153.6	0	0	112.6	T219 L271 T307 I311	T219-E309 HydrophobicContact CG2-CG 4.07Å; L271-E309 HydrophobicContact CD1-CG 4.32Å; T307-E309 PolarHBondContact OG1-N 3.19Å; E309-I311 WeakPolarHBondContact O-CG1 3.4Å; E309-I311 PolarHBondContact O-N 2.88Å
310	D	77	Confident	80.4	Confident	80 Å²	80	51.3 Å²	51.3	43%	0.428	27%	0.268	S	S	.	.			trans	-70.2	116.7	-179.1	179.2	-21	0	0	0	111.4	S273 C312 C317	S273-D310 VanDerWaalsContact CA-O 3.23Å; S273-D310 WeakPolarHBondContact CA-O 3.28Å; S273-D310 WeakPolarHBondContact CB-O 3.48Å; D310-C312 PolarHBondContact O-N 2.99Å; D310-C312 PolarHBondContact OD1-SG 2.91Å; D310-C312 VanDerWaalsContact OD1-SG 3.36Å; D310-C317 WeakPolarHBondContact OD1-CB 3.08Å
311	I	80.6	Confident	80.1	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	27%	0.272	C	S	.	.			trans	-97	74.7	-172.1	-55.7	-58.5	0	0	0	111.7	T307 E309 T319 V322 V337 E339	T307-I311 HydrophobicContact CG2-CD1 4.11Å; T307-I311 HydrophobicContact CG2-CG1 4.48Å; E309-I311 WeakPolarHBondContact O-CG1 3.4Å; E309-I311 PolarHBondContact O-N 2.88Å; I311-T319 WeakPolarHBondContact O-CB 3.3Å; I311-V322 HydrophobicContact CG2-CG2 3.8Å; I311-V337 HydrophobicContact CD1-CG1 4.16Å; I311-V337 HydrophobicContact CG1-CG1 4.44Å; I311-E339 HydrophobicContact CG1-CB 4.07Å; I311-E339 PolarHBondContact N-OE2 3.23Å
312	C	72.8	Confident	79.9	Confident	22 Å²	22	52.8 Å²	52.8	15%	0.149	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-65.6	137.8	176.9	-53	0	0	0	0	114.6	S273 G275 D310 C317	S273-C312 CarbonylContact O-C 3.54Å; S273-C312 VanDerWaalsContact O-CA 3.27Å; S273-C312 WeakPolarHBondContact O-CA 3.23Å; S273-C312 WeakPolarHBondContact O-CB 3.4Å; S273-C312 PolarHBondContact O-N 2.69Å; S273-C312 VanDerWaalsContact O-O 3.1Å; G275-C312 PolarHBondContact N-O 3.01Å; D310-C312 PolarHBondContact O-N 2.99Å; D310-C312 PolarHBondContact OD1-SG 2.91Å; D310-C312 VanDerWaalsContact OD1-SG 3.36Å; C312-C317 HydrophobicContact CB-CB 3.91Å; C312-C317 WeakPolarHBondContact CB-SG 3.36Å; C312-C317 WeakPolarHBondContact SG-CB 3.12Å; C312-C317 CovalentContact SG-SG 2.04Å; C312-C317 PolarHBondContact SG-SG 3.07Å
313	G	65.2	Low	79.6	Confident	31 Å²	31	53.4 Å²	53.4	32%	0.32	29%	0.285	S	S	.	.			trans	-80.5	177.5	161.1	0	0	0	0	0	112.4	K315 S316	G313-K315 PolarHBondContact O-N 2.91Å; G313-S316 PolarHBondContact N-O 2.71Å
314	Q	57.6	Low	79	Confident	184 Å²	184	55.7 Å²	55.7	86%	0.86	30%	0.297	S	S	*	.	S	Bend	trans	-66.6	-3.9	-179.3	-71.6	-169.8	-6.7	0	0	115.5
315	K	53.9	Low	78.6	Confident	207 Å²	207	59.7 Å²	59.7	90%	0.9	32%	0.321	S	S	*	.	S	Bend	trans	-137.9	-24.6	-171.6	-67	-177.4	-178	173.7	0	114.8	G313	G313-K315 PolarHBondContact O-N 2.91Å
316	S	64.6	Low	78.2	Confident	51 Å²	51	61 Å²	61	36%	0.357	33%	0.334	S	S	.	.			trans	-159.4	168.5	174	65.9	0	0	0	0	110.7	G313 D318	G313-S316 PolarHBondContact N-O 2.71Å; S316-D318 WeakPolarHBondContact CB-OD2 3.39Å; S316-D318 PolarHBondContact OG-OD2 3.43Å
317	C	65	Low	78	Confident	68 Å²	68	61.3 Å²	61.3	46%	0.459	34%	0.336	S	S	.	.	S	Bend	trans	-108.1	39.6	177.7	-49.9	0	0	0	0	110.9	D310 C312 T319	D310-C317 WeakPolarHBondContact OD1-CB 3.08Å; C312-C317 HydrophobicContact CB-CB 3.91Å; C312-C317 WeakPolarHBondContact CB-SG 3.36Å; C312-C317 WeakPolarHBondContact SG-CB 3.12Å; C312-C317 CovalentContact SG-SG 2.04Å; C312-C317 PolarHBondContact SG-SG 3.07Å; C317-T319 VanDerWaalsContact C-N 3.29Å
318	D	67.5	Low	78.1	Confident	129 Å²	129	61.3 Å²	61.3	69%	0.69	34%	0.336	S	S	*	.			trans	-94.1	15.4	174	-43.7	-71.9	0	0	0	111.5	S316	S316-D318 WeakPolarHBondContact CB-OD2 3.39Å; S316-D318 PolarHBondContact OG-OD2 3.43Å
319	T	72	Confident	78.4	Confident	46 Å²	46	59.7 Å²	59.7	28%	0.282	34%	0.338	S	S	.	.			trans	-105.6	98.5	-165.1	-60.5	0	0	0	0	110.5	I311 C317 G321 V322	I311-T319 WeakPolarHBondContact O-CB 3.3Å; C317-T319 VanDerWaalsContact C-N 3.29Å; T319-G321 VanDerWaalsContact C-N 3.3Å; T319-G321 VanDerWaalsContact CG2-O 3.26Å; T319-G321 WeakPolarHBondContact CG2-O 3.36Å; T319-G321 PolarHBondContact O-N 3.39Å; T319-V322 HydrophobicContact CG2-CG2 3.91Å
320	L	78.9	Confident	78.7	Confident	64 Å²	64	58 Å²	58	34%	0.335	33%	0.332	S	S	.	.			trans	-78.8	-11.5	-174.4	-61.8	166.9	0	0	0	113.8	E339 N341 T348	L320-E339 VanDerWaalsContact O-CB 3.3Å; L320-E339 WeakPolarHBondContact O-CB 3.48Å; L320-E339 PolarHBondContact O-N 2.83Å; L320-N341 WeakPolarHBondContact CD1-ND2 3.32Å; L320-N341 HydrophobicContact CD2-CB 4.42Å; L320-T348 HydrophobicContact CB-CG2 3.99Å; L320-T348 WeakPolarHBondContact O-CG2 3.09Å
321	G	85.4	Confident	79.1	Confident	9 Å²	9	58 Å²	58	9%	0.093	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	157.9	-178.4	0	0	0	0	0	112.2	T319 V337 E352	T319-G321 VanDerWaalsContact C-N 3.3Å; T319-G321 VanDerWaalsContact CG2-O 3.26Å; T319-G321 WeakPolarHBondContact CG2-O 3.36Å; T319-G321 PolarHBondContact O-N 3.39Å; G321-V337 CarbonylContact C-O 3.52Å; G321-V337 VanDerWaalsContact CA-O 3.23Å; G321-V337 WeakPolarHBondContact CA-O 3.32Å; G321-E352 VanDerWaalsContact C-CD 3.48Å
322	V	89.4	Confident	79.4	Confident	34 Å²	34	62.9 Å²	62.9	21%	0.206	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	128.8	174.4	-167.4	0	0	0	0	110.8	L279 I311 T319 S336 V337 E352	L279-V322 HydrophobicContact CD2-CG1 3.96Å; I311-V322 HydrophobicContact CG2-CG2 3.8Å; T319-V322 HydrophobicContact CG2-CG2 3.91Å; V322-S336 WeakPolarHBondContact O-CA 3.36Å; V322-V337 PolarHBondContact N-O 3.3Å; V322-V337 PolarHBondContact O-N 2.76Å; V322-E352 WeakPolarHBondContact CA-OE2 3.32Å; V322-E352 PolarHBondContact N-OE2 2.92Å
323	A	91.2	Very high	80.1	Confident	15 Å²	15	66.8 Å²	66.8	12%	0.124	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	166.6	168.2	0	0	0	0	0	112.6	E352 H355 V356	A323-E352 HydrophobicContact CB-CB 4.06Å; A323-E352 WeakPolarHBondContact CB-OE2 3.31Å; A323-E352 PolarHBondContact N-OE2 2.77Å; A323-H355 HydrophobicContact CB-CB 4.19Å; A323-V356 HydrophobicContact CB-CG2 3.73Å
324	D	85.8	Confident	81.6	Confident	48 Å²	48	65.4 Å²	65.4	26%	0.257	35%	0.354	S	S	.	.			trans	-88.9	133.8	172.4	-111	-34.9	0	0	0	110.3	G326 T327 R333	D324-G326 PolarHBondContact O-N 3.19Å; D324-T327 HydrophobicContact CB-CG2 3.75Å; D324-T327 PolarHBondContact O-OG1 2.89Å; D324-T327 VanDerWaalsContact O-OG1 3.06Å; D324-R333 IonicContact OD1-CZ 2.71Å; D324-R333 IonicContact OD1-NH2 2.83Å; D324-R333 PolarHBondContact OD1-NH2 2.78Å; D324-R333 IonicContact OD2-CZ 2.71Å; D324-R333 IonicContact OD2-NE 2.69Å; D324-R333 PolarHBondContact OD2-NE 2.97Å; D324-R333 IonicContact OD2-NH2 2.75Å; D324-R333 PolarHBondContact OD2-NH2 2.81Å
325	V	89.1	Confident	83.4	Confident	84 Å²	84	56.7 Å²	56.7	51%	0.509	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	124.1	-173.6	-175.4	0	0	0	0	112	H355	V325-H355 CarbonylContact C-O 3.27Å; V325-H355 VanDerWaalsContact CA-O 3.3Å; V325-H355 WeakPolarHBondContact CA-O 3.38Å; V325-H355 HydrophobicContact CG2-CB 4.28Å
326	G	88	Confident	85.4	Confident	27 Å²	27	46.9 Å²	46.9	28%	0.278	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	25.5	171.4	0	0	0	0	0	115.3	D324 H355 V356	D324-G326 PolarHBondContact O-N 3.19Å; G326-H355 PolarHBondContact N-O 2.81Å; G326-V356 CarbonylContact C-O 3.57Å; G326-V356 VanDerWaalsContact CA-O 3.3Å; G326-V356 WeakPolarHBondContact CA-O 3.41Å
327	T	92	Very high	86.9	Confident	6 Å²	6	44.4 Å²	44.4	4%	0.037	25%	0.254	C	S	.	.			trans	-97.9	8.6	-173.3	52.1	0	0	0	0	115.7	D324 C329 D330 R333 S334 V356	D324-T327 HydrophobicContact CB-CG2 3.75Å; D324-T327 PolarHBondContact O-OG1 2.89Å; D324-T327 VanDerWaalsContact O-OG1 3.06Å; T327-C329 VanDerWaalsContact C-N 3.29Å; T327-C329 PolarHBondContact O-N 3.01Å; T327-D330 WeakPolarHBondContact O-CB 3.28Å; T327-D330 PolarHBondContact O-N 3.46Å; T327-R333 WeakPolarHBondContact CB-O 3.37Å; T327-R333 HydrophobicContact CG2-CB 3.75Å; T327-R333 PolarHBondContact OG1-O 3.44Å; T327-S334 WeakPolarHBondContact O-CB 3.4Å; T327-V356 PolarHBondContact N-O 3.13Å
328	M	94.4	Very high	88.3	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.4	-46.3	-175	-175.9	53.6	74.8	0	0	115.5	I210 D301 T302 S334 L353 V356 L357 F404 L413	I210-M328 HydrophobicContact CD1-CE 4.13Å; I210-M328 HydrophobicContact CG1-CE 4.44Å; I210-M328 HydrophobicContact CG2-CE 3.91Å; I210-M328 HydrophobicContact CG2-SD 4.22Å; D301-M328 HydrophobicContact CB-SD 3.91Å; T302-M328 HydrophobicContact CG2-CE 4.35Å; T302-M328 HydrophobicContact CG2-SD 4.42Å; M328-S334 WeakPolarHBondContact CA-OG 3.41Å; M328-S334 VanDerWaalsContact O-CB 3.29Å; M328-S334 WeakPolarHBondContact O-CB 3.31Å; M328-S334 PolarHBondContact O-OG 2.84Å; M328-L353 HydrophobicContact CE-CD1 3.42Å; M328-L353 VanDerWaalsContact CE-CD1 3.42Å; M328-V356 HydrophobicContact CB-CG1 3.94Å; M328-V356 HydrophobicContact CE-CB 4.36Å; M328-V356 HydrophobicContact CE-CG1 3.69Å; M328-V356 PolarHBondContact N-O 2.81Å; M328-V356 HydrophobicContact SD-CG1 4.17Å; M328-L357 HydrophobicContact CB-CD2 4.45Å; M328-L357 HydrophobicContact CE-CD2 3.8Å; M328-L357 HydrophobicContact CE-CG 3.91Å; M328-L357 HydrophobicContact CG-CD2 4.24Å; M328-F404 HydrophobicContact CB-CE1 3.95Å; M328-F404 HydrophobicContact CB-CZ 3.82Å; M328-L413 HydrophobicContact CG-CD1 4.07Å; M328-L413 HydrophobicContact CG-CD2 3.75Å; M328-L413 HydrophobicContact CG-CG 4.16Å; M328-L413 HydrophobicContact SD-CD2 3.95Å
329	C	91.1	Very high	89.2	Confident	53 Å²	53	36.7 Å²	36.7	36%	0.358	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	28.3	178.4	-52.7	0	0	0	0	113.9	T327 H409 C412	T327-C329 VanDerWaalsContact C-N 3.29Å; T327-C329 PolarHBondContact O-N 3.01Å; C329-H409 PolarHBondContact SG-O 3.27Å; C329-C412 WeakPolarHBondContact CA-SG 3.27Å; C329-C412 HydrophobicContact CB-CB 3.85Å; C329-C412 WeakPolarHBondContact CB-SG 3.44Å; C329-C412 WeakPolarHBondContact SG-CB 3.44Å; C329-C412 PolarHBondContact SG-N 3.05Å; C329-C412 CovalentContact SG-SG 2.03Å; C329-C412 PolarHBondContact SG-SG 3.17Å
330	D	90.4	Very high	89.5	Confident	58 Å²	58	34.7 Å²	34.7	31%	0.31	19%	0.194	S	C	.	.			trans	-110.7	98.5	167.6	-178.3	-13.6	0	0	0	109	T327 K332 R333 S334	T327-D330 WeakPolarHBondContact O-CB 3.28Å; T327-D330 PolarHBondContact O-N 3.46Å; D330-K332 PolarHBondContact O-N 3.11Å; D330-K332 PolarHBondContact OD1-N 2.03Å; D330-R333 HydrophobicContact CB-CB 4.35Å; D330-R333 CarbonylContact O-C 3.57Å; D330-R333 PolarHBondContact O-N 3.4Å; D330-R333 WeakPolarHBondContact OD2-CD 3.41Å; D330-S334 WeakPolarHBondContact O-CB 2.98Å; D330-S334 PolarHBondContact O-N 2.88Å
331	P	86.1	Confident	88.9	Confident	79 Å²	79	33.6 Å²	33.6	51%	0.513	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-14.4	-176.6	-27.2	36	0	0	0	115.4	Q286	Q286-P331 PolarHBondContact NE2-O 2.97Å; Q286-P331 VanDerWaalsContact NE2-O 3.07Å
332	K	86.8	Confident	87.7	Confident	104 Å²	104	33.8 Å²	33.8	45%	0.452	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-11.5	175.1	-59.1	-150.3	171.4	-162.1	0	113.6	D330 E908	D330-K332 PolarHBondContact O-N 3.11Å; D330-K332 PolarHBondContact OD1-N 2.03Å; K332-E908 IonicContact NZ-OE1 3.81Å; K332-E908 PolarHBondContact NZ-OE1 3.2Å
333	R	88	Confident	86	Confident	105 Å²	105	32.2 Å²	32.2	40%	0.396	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.4	-1.6	-171.3	-60.5	178.9	66.6	-146	5.8	115.5	D324 T327 D330 C335	D324-R333 IonicContact OD1-CZ 2.71Å; D324-R333 IonicContact OD1-NH2 2.83Å; D324-R333 PolarHBondContact OD1-NH2 2.78Å; D324-R333 IonicContact OD2-CZ 2.71Å; D324-R333 IonicContact OD2-NE 2.69Å; D324-R333 PolarHBondContact OD2-NE 2.97Å; D324-R333 IonicContact OD2-NH2 2.75Å; D324-R333 PolarHBondContact OD2-NH2 2.81Å; T327-R333 WeakPolarHBondContact CB-O 3.37Å; T327-R333 HydrophobicContact CG2-CB 3.75Å; T327-R333 PolarHBondContact OG1-O 3.44Å; D330-R333 HydrophobicContact CB-CB 4.35Å; D330-R333 CarbonylContact O-C 3.57Å; D330-R333 PolarHBondContact O-N 3.4Å; D330-R333 WeakPolarHBondContact OD2-CD 3.41Å; R333-C335 VanDerWaalsContact C-N 3.26Å; R333-C335 PolarHBondContact O-N 2.96Å
334	S	95.7	Very high	84.5	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.014	18%	0.18	C	C	.	.			trans	-77.3	77.5	171.6	-170.5	0	0	0	0	110.3	D301 T302 A303 T327 M328 D330	D301-S334 WeakPolarHBondContact O-CB 3.41Å; D301-S334 PolarHBondContact O-OG 2.8Å; T302-S334 WeakPolarHBondContact CA-O 3.5Å; T302-S334 WeakPolarHBondContact CA-OG 3Å; T302-S334 WeakPolarHBondContact CB-OG 3.01Å; T302-S334 PolarHBondContact OG1-O 2.81Å; T302-S334 PolarHBondContact OG1-OG 3.25Å; A303-S334 PolarHBondContact N-O 2.95Å; T327-S334 WeakPolarHBondContact O-CB 3.4Å; M328-S334 WeakPolarHBondContact CA-OG 3.41Å; M328-S334 VanDerWaalsContact O-CB 3.29Å; M328-S334 WeakPolarHBondContact O-CB 3.31Å; M328-S334 PolarHBondContact O-OG 2.84Å; D330-S334 WeakPolarHBondContact O-CB 2.98Å; D330-S334 PolarHBondContact O-N 2.88Å
335	C	95.4	Very high	83.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	152.4	-173.5	18.4	0	0	0	0	111	L279 F282 C283 A303 R333	L279-C335 HydrophobicContact CD1-CB 4.32Å; L279-C335 WeakPolarHBondContact CD1-O 3.49Å; F282-C335 HydrophobicContact CD1-CB 4.14Å; F282-C335 HydrophobicContact CE1-CB 4.07Å; C283-C335 WeakPolarHBondContact CA-SG 3.38Å; C283-C335 HydrophobicContact CB-CB 4.21Å; C283-C335 WeakPolarHBondContact CB-SG 3.42Å; C283-C335 WeakPolarHBondContact SG-CB 3.41Å; C283-C335 CovalentContact SG-SG 2.03Å; C283-C335 PolarHBondContact SG-SG 2.71Å; A303-C335 CarbonylContact O-C 3.53Å; A303-C335 WeakPolarHBondContact O-CA 3.05Å; R333-C335 VanDerWaalsContact C-N 3.26Å; R333-C335 PolarHBondContact O-N 2.96Å
336	S	96.9	Very high	82.8	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.007	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	152.4	172.2	56.9	0	0	0	0	111.4	F282 A303 L305 V322 I338	F282-S336 WeakPolarHBondContact CE1-O 3.34Å; A303-S336 PolarHBondContact O-N 3.06Å; L305-S336 PolarHBondContact N-O 2.03Å; V322-S336 WeakPolarHBondContact O-CA 3.36Å; S336-I338 WeakPolarHBondContact OG-CD1 3.35Å
337	V	95.9	Very high	82.3	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.6	169.1	179.8	0	0	0	0	107.9	L279 F282 L305 T307 I311 G321 V322	L279-V337 HydrophobicContact CB-CG2 4.31Å; L279-V337 HydrophobicContact CD1-CG2 4.28Å; F282-V337 HydrophobicContact CB-CG2 4.11Å; F282-V337 HydrophobicContact CD1-CG2 4.03Å; F282-V337 HydrophobicContact CG-CG2 4.39Å; L305-V337 HydrophobicContact CB-CG2 4.3Å; L305-V337 HydrophobicContact CD2-CG1 4.28Å; L305-V337 HydrophobicContact CD2-CG2 4.23Å; T307-V337 HydrophobicContact CG2-CG1 4.07Å; I311-V337 HydrophobicContact CD1-CG1 4.16Å; I311-V337 HydrophobicContact CG1-CG1 4.44Å; G321-V337 CarbonylContact C-O 3.52Å; G321-V337 VanDerWaalsContact CA-O 3.23Å; G321-V337 WeakPolarHBondContact CA-O 3.32Å; V322-V337 PolarHBondContact N-O 3.3Å; V322-V337 PolarHBondContact O-N 2.76Å
338	I	93.8	Very high	81.8	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.5	-177.6	-59.7	92.4	0	0	0	108.4	M304 L305 F306 T307 S336 A345 T348 A349 E352	M304-I338 HydrophobicContact CB-CD1 4.04Å; M304-I338 HydrophobicContact CG-CD1 4.49Å; L305-I338 WeakPolarHBondContact O-CD1 3.33Å; L305-I338 PolarHBondContact O-N 3.43Å; F306-I338 WeakPolarHBondContact CA-O 3.44Å; F306-I338 HydrophobicContact CD1-CB 3.93Å; F306-I338 HydrophobicContact CD1-CG2 3.99Å; F306-I338 HydrophobicContact CE1-CB 4.1Å; F306-I338 HydrophobicContact CE1-CD1 4.31Å; F306-I338 HydrophobicContact CE1-CG1 4.32Å; F306-I338 HydrophobicContact CE1-CG2 4.09Å; F306-I338 HydrophobicContact CZ-CD1 4.49Å; T307-I338 PolarHBondContact N-O 2.88Å; T307-I338 VanDerWaalsContact N-O 3.1Å; S336-I338 WeakPolarHBondContact OG-CD1 3.35Å; I338-A345 HydrophobicContact CG2-CB 3.85Å; I338-T348 HydrophobicContact CG2-CG2 3.89Å; I338-A349 HydrophobicContact CD1-CB 4.29Å; I338-A349 HydrophobicContact CG1-CB 4.06Å; I338-E352 HydrophobicContact CG1-CG 4.46Å
339	E	87.3	Confident	81.4	Confident	35 Å²	35	26.1 Å²	26.1	16%	0.164	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	125.2	166.3	-173.2	-176.2	117.1	0	0	109.4	I311 L320 N341	I311-E339 HydrophobicContact CG1-CB 4.07Å; I311-E339 PolarHBondContact N-OE2 3.23Å; L320-E339 VanDerWaalsContact O-CB 3.3Å; L320-E339 WeakPolarHBondContact O-CB 3.48Å; L320-E339 PolarHBondContact O-N 2.83Å; E339-N341 PolarHBondContact O-N 2.03Å
340	D	79	Confident	81.3	Confident	3 Å²	3	23.6 Å²	23.6	2%	0.016	12%	0.119	C	C	.	.			trans	-81.8	105.6	176.6	175.2	61.2	0	0	0	111.4	M220 Y224 Y231 T307 R308 G342	M220-D340 HydrophobicContact CE-CB 4.05Å; M220-D340 HydrophobicContact SD-CB 3.38Å; M220-D340 WeakPolarHBondContact SD-CB 3.38Å; Y224-D340 WeakPolarHBondContact CE2-OD2 3.33Å; Y224-D340 PolarHBondContact OH-OD2 2.85Å; Y224-D340 VanDerWaalsContact OH-OD2 3.09Å; Y231-D340 WeakPolarHBondContact CE1-OD1 3.33Å; Y231-D340 VanDerWaalsContact CZ-OD1 3.26Å; Y231-D340 PolarHBondContact OH-OD1 3Å; T307-D340 WeakPolarHBondContact O-CB 3.09Å; T307-D340 PolarHBondContact O-N 2.86Å; R308-D340 WeakPolarHBondContact CD-OD2 3.39Å; R308-D340 IonicContact CZ-OD2 3.42Å; R308-D340 IonicContact NE-OD2 2.72Å; R308-D340 PolarHBondContact NE-OD2 2.86Å; R308-D340 PolarHBondContact NH1-O 3.07Å; R308-D340 IonicContact NH1-OD2 3.16Å; D340-G342 PolarHBondContact OD1-N 2.94Å
341	N	66.1	Low	81.3	Confident	42 Å²	42	21.9 Å²	21.9	23%	0.225	11%	0.109	C	C	.	.	S	Bend	trans	-108.7	20.8	177.9	61.6	8.4	0	0	0	112.2	L320 E339 Q344 A345	L320-N341 WeakPolarHBondContact CD1-ND2 3.32Å; L320-N341 HydrophobicContact CD2-CB 4.42Å; E339-N341 PolarHBondContact O-N 2.03Å; N341-Q344 WeakPolarHBondContact OD1-CB 3.02Å; N341-A345 PolarHBondContact OD1-N 3.19Å
342	G	59	Low	81.7	Confident	12 Å²	12	18.8 Å²	18.8	12%	0.124	9%	0.087	C	C	.	.	S	Bend	trans	91.6	-167.3	-162.5	0	0	0	0	0	111.3	Y231 D340 Q344 A345	Y231-G342 WeakPolarHBondContact OH-CA 3.48Å; Y231-G342 PolarHBondContact OH-O 3.31Å; D340-G342 PolarHBondContact OD1-N 2.94Å; G342-Q344 PolarHBondContact O-N 2.8Å; G342-A345 VanDerWaalsContact O-CB 3.23Å; G342-A345 WeakPolarHBondContact O-CB 3.01Å; G342-A345 PolarHBondContact O-N 3.17Å
343	L	54.9	Low	82.2	Confident	2 Å²	2	13.9 Å²	13.9	1%	0.01	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	1.6	-169.9	-66	163.7	0	0	0	114	G130 S131 L140 Y231 T234 L235 M238 A345 A346	G130-L343 VanDerWaalsContact CA-CD1 3.46Å; G130-L343 WeakPolarHBondContact O-CD1 3.38Å; S131-L343 VanDerWaalsContact N-CD1 3.32Å; S131-L343 WeakPolarHBondContact OG-CB 3.43Å; L140-L343 HydrophobicContact CD1-CD1 3.62Å; L140-L343 HydrophobicContact CD1-CG 4.22Å; Y231-L343 HydrophobicContact CD2-CD2 3.92Å; Y231-L343 HydrophobicContact CE2-CD1 4.28Å; Y231-L343 HydrophobicContact CE2-CD2 3.34Å; Y231-L343 HydrophobicContact CE2-CG 3.66Å; Y231-L343 PolarHBondContact OH-N 2.78Å; T234-L343 HydrophobicContact CG2-CD2 4.43Å; L235-L343 HydrophobicContact CD2-CB 4.36Å; L235-L343 HydrophobicContact CD2-CD2 3.4Å; L235-L343 HydrophobicContact CD2-CG 4.38Å; L235-L343 HydrophobicContact CG-CD2 3.76Å; M238-L343 HydrophobicContact SD-CB 4.42Å; L343-A345 PolarHBondContact O-N 2.82Å; L343-A346 WeakPolarHBondContact O-CB 3.4Å; L343-A346 PolarHBondContact O-N 2.89Å
344	Q	59.3	Low	82.5	Confident	23 Å²	23	8.9 Å²	8.9	11%	0.107	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.3	159.7	-62.3	-154.9	-1.6	0	0	112.9	E138 N341 G342 A346 F347 T348	E138-Q344 VanDerWaalsContact CD-CG 3.49Å; E138-Q344 WeakPolarHBondContact OE1-CG 3.48Å; E138-Q344 PolarHBondContact OE1-N 2.62Å; E138-Q344 WeakPolarHBondContact OE2-CG 3.48Å; E138-Q344 PolarHBondContact OE2-NE2 2.99Å; N341-Q344 WeakPolarHBondContact OD1-CB 3.02Å; G342-Q344 PolarHBondContact O-N 2.8Å; Q344-A346 PolarHBondContact O-N 2.81Å; Q344-F347 PolarHBondContact O-N 2.69Å; Q344-T348 PolarHBondContact O-N 3.04Å; Q344-T348 VanDerWaalsContact O-N 3.12Å; Q344-T348 PolarHBondContact O-OG1 2.83Å
345	A	69.4	Low	82.3	Confident	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-56.1	-16.7	172.9	0	0	0	0	0	113.1	L235 I338 N341 G342 L343 A349	L235-A345 HydrophobicContact CD1-CB 4.27Å; L235-A345 HydrophobicContact CD2-CB 3.91Å; I338-A345 HydrophobicContact CG2-CB 3.85Å; N341-A345 PolarHBondContact OD1-N 3.19Å; G342-A345 VanDerWaalsContact O-CB 3.23Å; G342-A345 WeakPolarHBondContact O-CB 3.01Å; G342-A345 PolarHBondContact O-N 3.17Å; L343-A345 PolarHBondContact O-N 2.82Å; A345-A349 WeakPolarHBondContact O-CB 3.47Å; A345-A349 PolarHBondContact O-N 2.71Å
346	A	70.3	Confident	82.3	Confident	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-73.9	-36.8	170.8	0	0	0	0	0	112.7	L235 M238 V239 L343 Q344 A350	L235-A346 HydrophobicContact CB-CB 4.42Å; L235-A346 HydrophobicContact CD2-CB 3.84Å; M238-A346 HydrophobicContact CB-CB 3.65Å; M238-A346 HydrophobicContact CE-CB 3.82Å; M238-A346 HydrophobicContact CG-CB 4.35Å; M238-A346 HydrophobicContact SD-CB 3.83Å; V239-A346 HydrophobicContact CG2-CB 4.34Å; V239-A346 WeakPolarHBondContact CG2-O 3.41Å; L343-A346 WeakPolarHBondContact O-CB 3.4Å; L343-A346 PolarHBondContact O-N 2.89Å; Q344-A346 PolarHBondContact O-N 2.81Å; A346-A350 VanDerWaalsContact O-CB 3.25Å; A346-A350 WeakPolarHBondContact O-CB 3.09Å; A346-A350 PolarHBondContact O-N 3.09Å
347	F	75.8	Confident	82.3	Confident	14 Å²	14	9.7 Å²	9.7	6%	0.061	5%	0.051	C	C	.	.	H	α-helix	trans	-71.1	-39.8	172	-60.7	-75.9	0	0	0	110.3	I133 M238 L242 Q344 A350 H351 L379 F384 L387	I133-F347 HydrophobicContact CD1-CE2 3.54Å; I133-F347 HydrophobicContact CD1-CZ 3.4Å; I133-F347 VanDerWaalsContact CD1-CZ 3.4Å; M238-F347 HydrophobicContact CE-CE2 3.97Å; M238-F347 HydrophobicContact CE-CZ 4.26Å; L242-F347 HydrophobicContact CD1-CD1 3.72Å; L242-F347 HydrophobicContact CD1-CE1 3.78Å; L242-F347 HydrophobicContact CD2-CD1 4.49Å; L242-F347 HydrophobicContact CD2-CE1 4.03Å; L242-F347 HydrophobicContact CG-CE1 4.47Å; Q344-F347 PolarHBondContact O-N 2.69Å; F347-A350 PolarHBondContact O-N 2.83Å; F347-H351 VanDerWaalsContact O-CB 3.31Å; F347-H351 WeakPolarHBondContact O-CB 3.4Å; F347-H351 PolarHBondContact O-N 3.14Å; F347-L379 HydrophobicContact CB-CD1 3.93Å; F347-L379 HydrophobicContact CD1-CD1 3.9Å; F347-L379 HydrophobicContact CG-CD1 4.41Å; F347-F384 HydrophobicContact CB-CE2 4.12Å; F347-F384 HydrophobicContact CB-CZ 4.28Å; F347-F384 HydrophobicContact CD1-CE2 4.24Å; F347-F384 HydrophobicContact CD1-CZ 4.19Å; F347-F384 HydrophobicContact CD2-CZ 4.2Å; F347-F384 HydrophobicContact CG-CE2 4.12Å; F347-F384 AromaticContact CG-CZ 3.93Å; F347-F384 HydrophobicContact CG-CZ 3.93Å; F347-L387 HydrophobicContact CD1-CD2 3.91Å; F347-L387 HydrophobicContact CE1-CD2 3.57Å
348	T	81.7	Confident	82.2	Confident	15 Å²	15	11.4 Å²	11.4	9%	0.092	6%	0.063	C	C	.	.	H	α-helix	trans	-59.5	-51.1	172.1	-44.4	0	0	0	0	111.5	L320 I338 Q344 A350 H351 E352	L320-T348 HydrophobicContact CB-CG2 3.99Å; L320-T348 WeakPolarHBondContact O-CG2 3.09Å; I338-T348 HydrophobicContact CG2-CG2 3.89Å; Q344-T348 PolarHBondContact O-N 3.04Å; Q344-T348 VanDerWaalsContact O-N 3.12Å; Q344-T348 PolarHBondContact O-OG1 2.83Å; T348-A350 VanDerWaalsContact C-N 3.27Å; T348-A350 PolarHBondContact O-N 3.41Å; T348-H351 WeakPolarHBondContact O-CB 3.31Å; T348-H351 PolarHBondContact O-N 3.07Å; T348-H351 VanDerWaalsContact O-N 3.1Å; T348-E352 HydrophobicContact CG2-CG 4.41Å; T348-E352 WeakPolarHBondContact O-CG 3.34Å; T348-E352 PolarHBondContact O-N 2.96Å
349	A	87.6	Confident	82.2	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60	-36	177	0	0	0	0	0	112.6	V239 M304 F306 I338 A345 L353	V239-A349 HydrophobicContact CG2-CB 3.9Å; M304-A349 HydrophobicContact SD-CB 4.12Å; F306-A349 HydrophobicContact CE1-CB 4.1Å; F306-A349 HydrophobicContact CZ-CB 4.15Å; I338-A349 HydrophobicContact CD1-CB 4.29Å; I338-A349 HydrophobicContact CG1-CB 4.06Å; A345-A349 WeakPolarHBondContact O-CB 3.47Å; A345-A349 PolarHBondContact O-N 2.71Å; A349-L353 WeakPolarHBondContact O-CB 3.36Å; A349-L353 PolarHBondContact O-N 2.04Å
350	A	88.1	Confident	82.4	Confident	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-72.7	-32.8	175.8	0	0	0	0	0	113.2	V239 L242 Y243 A346 F347 T348 G354 L379	V239-A350 HydrophobicContact CG1-CB 4.18Å; V239-A350 HydrophobicContact CG2-CB 4.33Å; L242-A350 HydrophobicContact CD1-CB 3.86Å; Y243-A350 HydrophobicContact CE2-CB 3.98Å; Y243-A350 PolarHBondContact OH-O 2.98Å; A346-A350 VanDerWaalsContact O-CB 3.25Å; A346-A350 WeakPolarHBondContact O-CB 3.09Å; A346-A350 PolarHBondContact O-N 3.09Å; F347-A350 PolarHBondContact O-N 2.83Å; T348-A350 VanDerWaalsContact C-N 3.27Å; T348-A350 PolarHBondContact O-N 3.41Å; A350-G354 PolarHBondContact O-N 3.15Å; A350-G354 VanDerWaalsContact O-N 3.08Å; A350-L379 HydrophobicContact CB-CD2 3.81Å
351	H	89.8	Confident	82.9	Confident	23 Å²	23	13.9 Å²	13.9	11%	0.106	8%	0.077	C	C	.	.	H	α-helix	trans	-68.9	-49.2	172.9	-176.8	109.1	0	0	0	111.3	F347 T348 L353 G354 H355 H361 L379 M380 A381	F347-H351 VanDerWaalsContact O-CB 3.31Å; F347-H351 WeakPolarHBondContact O-CB 3.4Å; F347-H351 PolarHBondContact O-N 3.14Å; T348-H351 WeakPolarHBondContact O-CB 3.31Å; T348-H351 PolarHBondContact O-N 3.07Å; T348-H351 VanDerWaalsContact O-N 3.1Å; H351-L353 VanDerWaalsContact C-N 3.33Å; H351-L353 PolarHBondContact O-N 2.85Å; H351-G354 CarbonylContact O-C 3.52Å; H351-G354 VanDerWaalsContact O-CA 3.24Å; H351-G354 WeakPolarHBondContact O-CA 3.44Å; H351-G354 PolarHBondContact O-N 3.07Å; H351-H355 AromaticContact CD2-CD2 3.55Å; H351-H355 AromaticContact CD2-NE2 3.36Å; H351-H355 PolarHBondContact CD2-NE2 3.34Å; H351-H355 AromaticContact NE2-CD2 3.74Å; H351-H355 AromaticContact NE2-NE2 3.02Å; H351-H355 PolarHBondContact NE2-NE2 2.85Å; H351-H355 PolarHBondContact O-N 3.04Å; H351-H361 AromaticContact CE1-CD2 3.69Å; H351-H361 AromaticContact CE1-NE2 3.91Å; H351-H361 AromaticContact NE2-CD2 3.47Å; H351-H361 PolarHBondContact NE2-CD2 2.94Å; H351-H361 AromaticContact NE2-NE2 3.33Å; H351-H361 PolarHBondContact NE2-NE2 2.81Å; H351-L379 PolarHBondContact ND1-O 2.88Å; H351-M380 HydrophobicContact CB-SD 4.41Å; H351-M380 WeakPolarHBondContact O-CE 3.17Å; H351-A381 PolarHBondContact CE1-O 3.06Å
352	E	94.8	Very high	84	Confident	13 Å²	13	12 Å²	12	6%	0.061	7%	0.067	C	C	.	.	H	α-helix	trans	-61.9	-39.6	175.2	-66.7	-37.3	124.9	0	0	111.9	G321 V322 A323 I338 T348 G354 H355 V356	G321-E352 VanDerWaalsContact C-CD 3.48Å; V322-E352 WeakPolarHBondContact CA-OE2 3.32Å; V322-E352 PolarHBondContact N-OE2 2.92Å; A323-E352 HydrophobicContact CB-CB 4.06Å; A323-E352 WeakPolarHBondContact CB-OE2 3.31Å; A323-E352 PolarHBondContact N-OE2 2.77Å; I338-E352 HydrophobicContact CG1-CG 4.46Å; T348-E352 HydrophobicContact CG2-CG 4.41Å; T348-E352 WeakPolarHBondContact O-CG 3.34Å; T348-E352 PolarHBondContact O-N 2.96Å; E352-G354 PolarHBondContact O-N 2.9Å; E352-H355 WeakPolarHBondContact O-CB 3.35Å; E352-H355 PolarHBondContact O-N 2.97Å; E352-H355 VanDerWaalsContact O-N 3.16Å; E352-H355 IonicContact OE2-CD2 3.62Å; E352-V356 WeakPolarHBondContact O-CG2 3.4Å; E352-V356 PolarHBondContact O-N 3.09Å
353	L	96.6	Very high	85.3	Confident	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-62	-30.9	170.6	-175	58.1	0	0	0	112.1	I210 V239 Y243 I254 T302 M304 M328 A349 H351 V356 L357	I210-L353 HydrophobicContact CD1-CD1 4.5Å; I210-L353 HydrophobicContact CD1-CD2 4.4Å; I210-L353 HydrophobicContact CG2-CD1 4.39Å; V239-L353 HydrophobicContact CG1-CD2 4.21Å; Y243-L353 HydrophobicContact CD2-CD2 4.1Å; Y243-L353 HydrophobicContact CE1-CD2 4.42Å; Y243-L353 HydrophobicContact CE2-CB 4.2Å; Y243-L353 HydrophobicContact CE2-CD2 3.6Å; Y243-L353 HydrophobicContact CE2-CG 4.06Å; Y243-L353 VanDerWaalsContact OH-C 3.28Å; I254-L353 HydrophobicContact CD1-CD2 3.6Å; T302-L353 HydrophobicContact CG2-CD1 4.27Å; M304-L353 HydrophobicContact CE-CB 3.79Å; M304-L353 HydrophobicContact CE-CD1 3.96Å; M304-L353 HydrophobicContact CE-CD2 3.82Å; M304-L353 HydrophobicContact CE-CG 4.07Å; M328-L353 HydrophobicContact CE-CD1 3.42Å; M328-L353 VanDerWaalsContact CE-CD1 3.42Å; A349-L353 WeakPolarHBondContact O-CB 3.36Å; A349-L353 PolarHBondContact O-N 2.04Å; H351-L353 VanDerWaalsContact C-N 3.33Å; H351-L353 PolarHBondContact O-N 2.85Å; L353-V356 PolarHBondContact O-N 3.02Å; L353-L357 HydrophobicContact CD1-CD1 4.42Å; L353-L357 HydrophobicContact CG-CD1 4.08Å; L353-L357 WeakPolarHBondContact O-CB 3.26Å; L353-L357 VanDerWaalsContact O-CG 3.32Å; L353-L357 WeakPolarHBondContact O-CG 3.45Å; L353-L357 PolarHBondContact O-N 2.84Å
354	G	95.1	Very high	86.8	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63	-45.4	172.7	0	0	0	0	0	111.6	Y243 A350 H351 E352 L357 S358 M359	Y243-G354 WeakPolarHBondContact OH-CA 3.38Å; Y243-G354 PolarHBondContact OH-N 2.94Å; A350-G354 PolarHBondContact O-N 3.15Å; A350-G354 VanDerWaalsContact O-N 3.08Å; H351-G354 CarbonylContact O-C 3.52Å; H351-G354 VanDerWaalsContact O-CA 3.24Å; H351-G354 WeakPolarHBondContact O-CA 3.44Å; H351-G354 PolarHBondContact O-N 3.07Å; E352-G354 PolarHBondContact O-N 2.9Å; G354-L357 CarbonylContact O-C 3.23Å; G354-L357 WeakPolarHBondContact O-CA 3.43Å; G354-L357 PolarHBondContact O-N 3.5Å; G354-S358 PolarHBondContact O-N 3.08Å; G354-M359 WeakPolarHBondContact O-CB 3.48Å; G354-M359 WeakPolarHBondContact O-CG 3.33Å; G354-M359 PolarHBondContact O-N 3.26Å
355	H	92	Very high	87.9	Confident	19 Å²	19	24.1 Å²	24.1	9%	0.088	12%	0.123	C	C	.	.	H	α-helix	trans	-59	-48.1	171.7	-73.5	-59.6	0	0	0	111.7	A323 V325 G326 H351 E352 L357 S358 M359 H361	A323-H355 HydrophobicContact CB-CB 4.19Å; V325-H355 CarbonylContact C-O 3.27Å; V325-H355 VanDerWaalsContact CA-O 3.3Å; V325-H355 WeakPolarHBondContact CA-O 3.38Å; V325-H355 HydrophobicContact CG2-CB 4.28Å; G326-H355 PolarHBondContact N-O 2.81Å; H351-H355 AromaticContact CD2-CD2 3.55Å; H351-H355 AromaticContact CD2-NE2 3.36Å; H351-H355 PolarHBondContact CD2-NE2 3.34Å; H351-H355 AromaticContact NE2-CD2 3.74Å; H351-H355 AromaticContact NE2-NE2 3.02Å; H351-H355 PolarHBondContact NE2-NE2 2.85Å; H351-H355 PolarHBondContact O-N 3.04Å; E352-H355 WeakPolarHBondContact O-CB 3.35Å; E352-H355 PolarHBondContact O-N 2.97Å; E352-H355 VanDerWaalsContact O-N 3.16Å; E352-H355 IonicContact OE2-CD2 3.62Å; H355-L357 PolarHBondContact O-N 3.3Å; H355-S358 WeakPolarHBondContact O-CA 3.09Å; H355-S358 PolarHBondContact O-N 2.78Å; H355-M359 PolarHBondContact ND1-O 3.49Å; H355-H361 AromaticContact CE1-CD2 3.31Å; H355-H361 PolarHBondContact CE1-CD2 2.91Å; H355-H361 AromaticContact CE1-NE2 3.3Å; H355-H361 PolarHBondContact CE1-NE2 2.84Å; H355-H361 VanDerWaalsContact CE1-NE2 3.3Å; H355-H361 AromaticContact NE2-CD2 3.48Å; H355-H361 PolarHBondContact NE2-CD2 2.7Å; H355-H361 AromaticContact NE2-NE2 3.18Å; H355-H361 PolarHBondContact NE2-NE2 3.47Å; H355-H361 VanDerWaalsContact NE2-NE2 3.18Å
356	V	96.1	Very high	88.5	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-59.3	-31.8	177.2	-178.5	0	0	0	0	111.8	A323 G326 T327 M328 E352 L353 S358	A323-V356 HydrophobicContact CB-CG2 3.73Å; G326-V356 CarbonylContact C-O 3.57Å; G326-V356 VanDerWaalsContact CA-O 3.3Å; G326-V356 WeakPolarHBondContact CA-O 3.41Å; T327-V356 PolarHBondContact N-O 3.13Å; M328-V356 HydrophobicContact CB-CG1 3.94Å; M328-V356 HydrophobicContact CE-CB 4.36Å; M328-V356 HydrophobicContact CE-CG1 3.69Å; M328-V356 PolarHBondContact N-O 2.81Å; M328-V356 HydrophobicContact SD-CG1 4.17Å; E352-V356 WeakPolarHBondContact O-CG2 3.4Å; E352-V356 PolarHBondContact O-N 3.09Å; L353-V356 PolarHBondContact O-N 3.02Å; V356-S358 VanDerWaalsContact C-N 3.27Å; V356-S358 PolarHBondContact O-N 2.81Å
357	L	95.6	Very high	89.2	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	13.4	172.2	-70.5	166.5	0	0	0	114.6	I210 Y243 M328 L353 G354 H355 M359 I401 F404 F405 L413	I210-L357 HydrophobicContact CD1-CD1 3.9Å; I210-L357 HydrophobicContact CD1-CD2 4.22Å; Y243-L357 HydrophobicContact CD1-CD1 4.44Å; Y243-L357 HydrophobicContact CE1-CD1 3.5Å; M328-L357 HydrophobicContact CB-CD2 4.45Å; M328-L357 HydrophobicContact CE-CD2 3.8Å; M328-L357 HydrophobicContact CE-CG 3.91Å; M328-L357 HydrophobicContact CG-CD2 4.24Å; L353-L357 HydrophobicContact CD1-CD1 4.42Å; L353-L357 HydrophobicContact CG-CD1 4.08Å; L353-L357 WeakPolarHBondContact O-CB 3.26Å; L353-L357 VanDerWaalsContact O-CG 3.32Å; L353-L357 WeakPolarHBondContact O-CG 3.45Å; L353-L357 PolarHBondContact O-N 2.84Å; G354-L357 CarbonylContact O-C 3.23Å; G354-L357 WeakPolarHBondContact O-CA 3.43Å; G354-L357 PolarHBondContact O-N 3.5Å; H355-L357 PolarHBondContact O-N 3.3Å; L357-M359 VanDerWaalsContact C-N 3.35Å; L357-M359 PolarHBondContact O-N 3.21Å; L357-I401 HydrophobicContact CB-CG1 4.46Å; L357-I401 HydrophobicContact CD1-CD1 3.97Å; L357-F404 HydrophobicContact CD2-CD1 4.32Å; L357-F404 HydrophobicContact CD2-CE1 4.12Å; L357-F404 WeakPolarHBondContact O-CG 3.28Å; L357-F405 HydrophobicContact CD2-CE1 3.82Å; L357-F405 HydrophobicContact CD2-CZ 4.02Å; L357-L413 HydrophobicContact CD2-CD1 4.18Å
358	S	93.7	Very high	89.8	Confident	36 Å²	36	31.8 Å²	31.8	25%	0.252	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	18.3	177.6	-165.5	0	0	0	0	116.5	G354 H355 V356 Y400	G354-S358 PolarHBondContact O-N 3.08Å; H355-S358 WeakPolarHBondContact O-CA 3.09Å; H355-S358 PolarHBondContact O-N 2.78Å; V356-S358 VanDerWaalsContact C-N 3.27Å; V356-S358 PolarHBondContact O-N 2.81Å; S358-Y400 WeakPolarHBondContact O-CD1 3.34Å
359	M	94	Very high	89.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-73.7	125.5	168.5	-53.9	-174.6	-157	0	0	109.9	Y243 I248 G354 H355 L357 M380 W393 I401	Y243-M359 HydrophobicContact CE1-CE 4.23Å; I248-M359 HydrophobicContact CD1-CE 4.05Å; I248-M359 HydrophobicContact CG1-CE 4.43Å; G354-M359 WeakPolarHBondContact O-CB 3.48Å; G354-M359 WeakPolarHBondContact O-CG 3.33Å; G354-M359 PolarHBondContact O-N 3.26Å; H355-M359 PolarHBondContact ND1-O 3.49Å; L357-M359 VanDerWaalsContact C-N 3.35Å; L357-M359 PolarHBondContact O-N 3.21Å; M359-M380 HydrophobicContact CB-CE 4.16Å; M359-M380 HydrophobicContact CB-CG 4.19Å; M359-M380 HydrophobicContact CB-SD 4.4Å; M359-M380 HydrophobicContact SD-CG 3.92Å; M359-M380 HydrophobicContact SD-SD 4.22Å; M359-W393 HydrophobicContact CE-CE3 4.09Å; M359-W393 HydrophobicContact CE-CH2 4.04Å; M359-W393 HydrophobicContact CE-CZ3 3.63Å; M359-W393 HydrophobicContact SD-CE3 3.89Å; M359-W393 HydrophobicContact SD-CH2 4.4Å; M359-W393 HydrophobicContact SD-CZ3 3.5Å; M359-W393 WeakPolarHBondContact SD-CZ3 3.42Å; M359-I401 HydrophobicContact CE-CB 3.91Å; M359-I401 HydrophobicContact CE-CD1 3.76Å; M359-I401 HydrophobicContact CE-CG1 4.29Å; M359-I401 HydrophobicContact CE-CG2 4.2Å; M359-I401 HydrophobicContact CG-CB 4.5Å
360	P	90.8	Very high	89.4	Confident	28 Å²	28	44.6 Å²	44.6	18%	0.182	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-79.6	171.5	166.3	36.1	-35.8	0	0	0	110.6	Y400	P360-Y400 VanDerWaalsContact CD-CD2 3.42Å; P360-Y400 HydrophobicContact CG-CD1 4.39Å; P360-Y400 HydrophobicContact CG-CD2 3.73Å; P360-Y400 HydrophobicContact CG-CE1 4.28Å; P360-Y400 HydrophobicContact CG-CE2 3.6Å; P360-Y400 HydrophobicContact CG-CG 4.14Å
361	H	91	Very high	89.2	Confident	62 Å²	62	48.6 Å²	48.6	29%	0.287	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-61.8	149.5	167.8	-60.3	160.1	0	0	0	112.3	H351 H355 D363 S364 C367 M380	H351-H361 AromaticContact CE1-CD2 3.69Å; H351-H361 AromaticContact CE1-NE2 3.91Å; H351-H361 AromaticContact NE2-CD2 3.47Å; H351-H361 PolarHBondContact NE2-CD2 2.94Å; H351-H361 AromaticContact NE2-NE2 3.33Å; H351-H361 PolarHBondContact NE2-NE2 2.81Å; H355-H361 AromaticContact CE1-CD2 3.31Å; H355-H361 PolarHBondContact CE1-CD2 2.91Å; H355-H361 AromaticContact CE1-NE2 3.3Å; H355-H361 PolarHBondContact CE1-NE2 2.84Å; H355-H361 VanDerWaalsContact CE1-NE2 3.3Å; H355-H361 AromaticContact NE2-CD2 3.48Å; H355-H361 PolarHBondContact NE2-CD2 2.7Å; H355-H361 AromaticContact NE2-NE2 3.18Å; H355-H361 PolarHBondContact NE2-NE2 3.47Å; H355-H361 VanDerWaalsContact NE2-NE2 3.18Å; H361-D363 VanDerWaalsContact C-N 3.29Å; H361-D363 WeakPolarHBondContact CB-OD1 3.28Å; H361-D363 IonicContact CG-OD1 2.65Å; H361-D363 IonicContact ND1-OD1 3.54Å; H361-D363 PolarHBondContact O-N 3.11Å; H361-S364 WeakPolarHBondContact O-CB 3.29Å; H361-S364 PolarHBondContact O-N 3Å; H361-S364 PolarHBondContact O-OG 3.32Å; H361-C367 PolarHBondContact O-SG 2.73Å; H361-C367 VanDerWaalsContact O-SG 3.37Å; H361-M380 CarbonylContact C-O 3.58Å; H361-M380 WeakPolarHBondContact CA-O 3.47Å
362	D	88.8	Confident	89.1	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.016	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.3	-179.8	-72	-44.4	0	0	0	113.7	S364 C367 L374 Y378 M380 S394	D362-S364 VanDerWaalsContact C-N 3.27Å; D362-C367 VanDerWaalsContact O-CB 3.28Å; D362-C367 WeakPolarHBondContact O-CB 3.39Å; D362-L374 HydrophobicContact CB-CB 4.38Å; D362-L374 HydrophobicContact CB-CD1 4.08Å; D362-Y378 VanDerWaalsContact OD2-CB 3.25Å; D362-Y378 WeakPolarHBondContact OD2-CB 3.49Å; D362-M380 PolarHBondContact N-O 3Å; D362-M380 WeakPolarHBondContact OD2-CB 3.27Å; D362-S394 WeakPolarHBondContact OD1-CB 3.38Å; D362-S394 PolarHBondContact OD1-OG 2.78Å
363	D	86.5	Confident	88.6	Confident	92 Å²	92	55.7 Å²	55.7	49%	0.492	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-2.4	171.9	80.5	-43.1	0	0	0	113.3	H361 P382	H361-D363 VanDerWaalsContact C-N 3.29Å; H361-D363 WeakPolarHBondContact CB-OD1 3.28Å; H361-D363 IonicContact CG-OD1 2.65Å; H361-D363 IonicContact ND1-OD1 3.54Å; H361-D363 PolarHBondContact O-N 3.11Å; D363-P382 HydrophobicContact CB-CG 4.27Å
364	S	86.4	Confident	87.9	Confident	26 Å²	26	56.6 Å²	56.6	18%	0.182	29%	0.293	C	S	.	.	S	Bend	trans	-65.6	141.6	-177.5	72.4	0	0	0	0	111	H361 D362 T366 C367 E368	H361-S364 WeakPolarHBondContact O-CB 3.29Å; H361-S364 PolarHBondContact O-N 3Å; H361-S364 PolarHBondContact O-OG 3.32Å; D362-S364 VanDerWaalsContact C-N 3.27Å; S364-T366 PolarHBondContact O-N 2.8Å; S364-C367 WeakPolarHBondContact O-CA 3.33Å; S364-C367 WeakPolarHBondContact O-CB 3.28Å; S364-C367 PolarHBondContact O-N 3.08Å; S364-C367 PolarHBondContact OG-SG 3.41Å; S364-E368 PolarHBondContact O-N 2.83Å
365	K	82.8	Confident	86.8	Confident	173 Å²	173	58 Å²	58	75%	0.752	31%	0.307	S	S	*	.	H	α-helix	trans	-53.9	-17.5	179.5	-63.2	-173.1	176	-176.5	0	115.1	E368 K369	K365-E368 WeakPolarHBondContact CA-OE2 3.36Å; K365-E368 WeakPolarHBondContact CG-OE2 3.47Å; K365-K369 WeakPolarHBondContact O-CB 3.07Å; K365-K369 PolarHBondContact O-N 3.09Å
366	T	80.8	Confident	85.7	Confident	74 Å²	74	58.9 Å²	58.9	45%	0.454	32%	0.321	S	S	.	.	H	α-helix	trans	-84.2	-38.6	174.7	-29.8	0	0	0	0	111.5	S364 L370 Y400	S364-T366 PolarHBondContact O-N 2.8Å; T366-L370 WeakPolarHBondContact O-CD1 3.42Å; T366-L370 VanDerWaalsContact O-CG 3.27Å; T366-L370 WeakPolarHBondContact O-CG 3.4Å; T366-L370 PolarHBondContact O-N 2.86Å; T366-Y400 WeakPolarHBondContact CB-OH 3.44Å; T366-Y400 WeakPolarHBondContact CG2-OH 3.08Å
367	C	86.3	Confident	84.4	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-66	-51.1	168.2	-65.5	0	0	0	0	111.4	H361 D362 S364 K369 L370 F371 L374 C396	H361-C367 PolarHBondContact O-SG 2.73Å; H361-C367 VanDerWaalsContact O-SG 3.37Å; D362-C367 VanDerWaalsContact O-CB 3.28Å; D362-C367 WeakPolarHBondContact O-CB 3.39Å; S364-C367 WeakPolarHBondContact O-CA 3.33Å; S364-C367 WeakPolarHBondContact O-CB 3.28Å; S364-C367 PolarHBondContact O-N 3.08Å; S364-C367 PolarHBondContact OG-SG 3.41Å; C367-K369 PolarHBondContact O-N 3.42Å; C367-L370 PolarHBondContact O-N 2.85Å; C367-F371 PolarHBondContact O-N 2.64Å; C367-L374 HydrophobicContact CB-CD1 4.26Å; C367-C396 WeakPolarHBondContact CA-SG 3.21Å; C367-C396 HydrophobicContact CB-CB 3.79Å; C367-C396 WeakPolarHBondContact CB-SG 3.31Å; C367-C396 WeakPolarHBondContact SG-CB 3.47Å; C367-C396 CovalentContact SG-SG 2.04Å; C367-C396 PolarHBondContact SG-SG 2.96Å
368	E	87.6	Confident	84	Confident	101 Å²	101	63.4 Å²	63.4	47%	0.472	34%	0.341	S	S	.	.	H	α-helix	trans	-50.5	-44.5	178	-67.7	-176.1	125.6	0	0	112	S364 K365 L370 G372	S364-E368 PolarHBondContact O-N 2.83Å; K365-E368 WeakPolarHBondContact CA-OE2 3.36Å; K365-E368 WeakPolarHBondContact CG-OE2 3.47Å; E368-L370 VanDerWaalsContact C-N 3.32Å; E368-L370 PolarHBondContact O-N 2.87Å; E368-G372 WeakPolarHBondContact CA-O 3.28Å; E368-G372 VanDerWaalsContact O-CA 3.23Å; E368-G372 WeakPolarHBondContact O-CA 3.23Å; E368-G372 PolarHBondContact O-N 2.92Å
369	K	80.9	Confident	83.5	Confident	183 Å²	183	61.8 Å²	61.8	80%	0.796	33%	0.329	S	S	*	.	H	α-helix	trans	-70.1	-25.4	-178.4	-178.9	-178.3	173.6	-165.8	0	113.6	K365 C367	K365-K369 WeakPolarHBondContact O-CB 3.07Å; K365-K369 PolarHBondContact O-N 3.09Å; C367-K369 PolarHBondContact O-N 3.42Å
370	L	78.9	Confident	83.4	Confident	101 Å²	101	61.8 Å²	61.8	53%	0.529	33%	0.329	S	S	.	.	H	α-helix	trans	-97.7	-33.3	-176.6	-70.8	174.1	0	0	0	113	T366 C367 E368 L399	T366-L370 WeakPolarHBondContact O-CD1 3.42Å; T366-L370 VanDerWaalsContact O-CG 3.27Å; T366-L370 WeakPolarHBondContact O-CG 3.4Å; T366-L370 PolarHBondContact O-N 2.86Å; C367-L370 PolarHBondContact O-N 2.85Å; E368-L370 VanDerWaalsContact C-N 3.32Å; E368-L370 PolarHBondContact O-N 2.87Å; L370-L399 HydrophobicContact CD1-CD2 4.03Å
371	F	85.9	Confident	83.1	Confident	84 Å²	84	60.7 Å²	60.7	37%	0.368	32%	0.323	S	S	.	.	H	α-helix	trans	-127.1	-8.4	-170.4	-60.2	-76.3	0	0	0	114.5	C367 L374 P395 C396 L399	C367-F371 PolarHBondContact O-N 2.64Å; F371-L374 HydrophobicContact CB-CD1 4.3Å; F371-L374 HydrophobicContact CB-CD2 3.97Å; F371-L374 HydrophobicContact CB-CG 4.23Å; F371-P395 HydrophobicContact CD1-CB 3.68Å; F371-P395 HydrophobicContact CE1-CB 3.63Å; F371-P395 HydrophobicContact CG-CB 4.28Å; F371-P395 HydrophobicContact CZ-CB 4.2Å; F371-C396 HydrophobicContact CD2-CB 3.77Å; F371-C396 HydrophobicContact CE2-CB 3.81Å; F371-L399 HydrophobicContact CE2-CB 4.5Å; F371-L399 HydrophobicContact CE2-CD2 3.92Å; F371-L399 HydrophobicContact CZ-CB 4.16Å; F371-L399 HydrophobicContact CZ-CD2 3.83Å
372	G	87.1	Confident	82.3	Confident	34 Å²	34	60.6 Å²	60.6	35%	0.351	33%	0.328	S	S	.	.			trans	81	-167.8	-169.7	0	0	0	0	0	112.5	E368 L374	E368-G372 WeakPolarHBondContact CA-O 3.28Å; E368-G372 VanDerWaalsContact O-CA 3.23Å; E368-G372 WeakPolarHBondContact O-CA 3.23Å; E368-G372 PolarHBondContact O-N 2.92Å; G372-L374 PolarHBondContact O-N 2.79Å
373	D	84.3	Confident	81.1	Confident	152 Å²	152	66.6 Å²	66.6	81%	0.813	36%	0.359	S	S	*	.			trans	-66.5	120.3	170.4	-180	5.8	0	0	0	109.6	G375	D373-G375 PolarHBondContact OD1-N 3.44Å
374	L	81.2	Confident	79.6	Confident	20 Å²	20	66 Å²	66	11%	0.105	35%	0.352	C	S	.	.			trans	-92	-14.1	-179	-74.2	172.3	0	0	0	113	D362 C367 F371 G372 H377 Y378 P395 C396	D362-L374 HydrophobicContact CB-CB 4.38Å; D362-L374 HydrophobicContact CB-CD1 4.08Å; C367-L374 HydrophobicContact CB-CD1 4.26Å; F371-L374 HydrophobicContact CB-CD1 4.3Å; F371-L374 HydrophobicContact CB-CD2 3.97Å; F371-L374 HydrophobicContact CB-CG 4.23Å; G372-L374 PolarHBondContact O-N 2.79Å; L374-H377 PolarHBondContact O-CE1 3.49Å; L374-Y378 HydrophobicContact CB-CD2 4.15Å; L374-Y378 HydrophobicContact CB-CE2 3.99Å; L374-Y378 HydrophobicContact CD2-CE2 4.16Å; L374-Y378 WeakPolarHBondContact O-CE2 3.44Å; L374-P395 HydrophobicContact CD2-CG 4.36Å; L374-C396 HydrophobicContact CD1-CB 3.84Å
375	G	72.4	Confident	77.9	Confident	30 Å²	30	69.3 Å²	69.3	31%	0.309	37%	0.371	S	S	.	.			trans	73.4	169.1	-173.3	0	0	0	0	0	114.6	D373 H377	D373-G375 PolarHBondContact OD1-N 3.44Å; G375-H377 VanDerWaalsContact C-N 3.34Å; G375-H377 PolarHBondContact O-N 3.09Å
376	G	67.8	Low	76.6	Confident	37 Å²	37	64.3 Å²	64.3	38%	0.381	36%	0.358	S	S	.	.	S	Bend	trans	-90.1	27.1	-174.5	0	0	0	0	0	115.7
377	H	70.6	Confident	75.6	Confident	61 Å²	61	62.2 Å²	62.2	28%	0.282	34%	0.344	S	S	.	.			trans	-114.4	9	-171.6	62.1	-98.6	0	0	0	115.4	L374 G375 S386 N388	L374-H377 PolarHBondContact O-CE1 3.49Å; G375-H377 VanDerWaalsContact C-N 3.34Å; G375-H377 PolarHBondContact O-N 3.09Å; H377-S386 WeakPolarHBondContact CA-O 3.37Å; H377-S386 WeakPolarHBondContact CB-O 3.43Å; H377-N388 HydrophobicContact CB-CB 4.37Å; H377-N388 PolarHBondContact O-N 3.03Å
378	Y	85.3	Confident	74.4	Confident	34 Å²	34	65.1 Å²	65.1	13%	0.133	36%	0.36	C	S	.	.	S	Bend	trans	-104.8	161.6	173.1	-61.9	-63.1	0	0	0	111.1	D362 L374 M380 A381 V391 S394	D362-Y378 VanDerWaalsContact OD2-CB 3.25Å; D362-Y378 WeakPolarHBondContact OD2-CB 3.49Å; L374-Y378 HydrophobicContact CB-CD2 4.15Å; L374-Y378 HydrophobicContact CB-CE2 3.99Å; L374-Y378 HydrophobicContact CD2-CE2 4.16Å; L374-Y378 WeakPolarHBondContact O-CE2 3.44Å; Y378-M380 VanDerWaalsContact C-N 3.3Å; Y378-M380 PolarHBondContact O-N 2.75Å; Y378-A381 VanDerWaalsContact O-CB 3.31Å; Y378-A381 WeakPolarHBondContact O-CB 3.41Å; Y378-A381 PolarHBondContact O-N 2.04Å; Y378-A381 VanDerWaalsContact O-N 3.15Å; Y378-V391 VanDerWaalsContact CD1-O 3.24Å; Y378-V391 WeakPolarHBondContact CD1-O 3.36Å; Y378-V391 HydrophobicContact CE1-CG1 4.23Å; Y378-V391 VanDerWaalsContact CE1-O 3.3Å; Y378-V391 WeakPolarHBondContact CE1-O 3.1Å; Y378-S394 VanDerWaalsContact CD2-CB 3.47Å; Y378-S394 VanDerWaalsContact CG-CB 3.49Å
379	L	84.9	Confident	72.7	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.01	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-29.1	-175.1	-172	57.3	0	0	0	113.8	L242 F347 A350 H351 A381 F384 L387 P392 W393	L242-L379 HydrophobicContact CD1-CD2 4.28Å; F347-L379 HydrophobicContact CB-CD1 3.93Å; F347-L379 HydrophobicContact CD1-CD1 3.9Å; F347-L379 HydrophobicContact CG-CD1 4.41Å; A350-L379 HydrophobicContact CB-CD2 3.81Å; H351-L379 PolarHBondContact ND1-O 2.88Å; L379-A381 VanDerWaalsContact C-N 3.32Å; L379-F384 HydrophobicContact CD1-CE2 4.45Å; L379-L387 HydrophobicContact CB-CD1 4.09Å; L379-P392 WeakPolarHBondContact CB-O 3.38Å; L379-P392 PolarHBondContact N-O 3.44Å; L379-W393 HydrophobicContact CB-CE3 4.35Å; L379-W393 HydrophobicContact CB-CZ3 4.35Å; L379-W393 HydrophobicContact CD2-CD2 4.5Å; L379-W393 HydrophobicContact CD2-CE3 4.35Å; L379-W393 HydrophobicContact CD2-CH2 3.5Å; L379-W393 VanDerWaalsContact CD2-CH2 3.5Å; L379-W393 HydrophobicContact CD2-CZ2 3.66Å; L379-W393 HydrophobicContact CD2-CZ3 3.86Å; L379-W393 HydrophobicContact CG-CH2 4.41Å; L379-W393 HydrophobicContact CG-CZ3 4.35Å
380	M	91.2	Very high	71.7	Confident	0 Å²	0	57 Å²	57	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	17.1	176.5	-60	-53.8	-57.4	0	0	113.4	H351 M359 H361 D362 Y378 W393 S397	H351-M380 HydrophobicContact CB-SD 4.41Å; H351-M380 WeakPolarHBondContact O-CE 3.17Å; M359-M380 HydrophobicContact CB-CE 4.16Å; M359-M380 HydrophobicContact CB-CG 4.19Å; M359-M380 HydrophobicContact CB-SD 4.4Å; M359-M380 HydrophobicContact SD-CG 3.92Å; M359-M380 HydrophobicContact SD-SD 4.22Å; H361-M380 CarbonylContact C-O 3.58Å; H361-M380 WeakPolarHBondContact CA-O 3.47Å; D362-M380 PolarHBondContact N-O 3Å; D362-M380 WeakPolarHBondContact OD2-CB 3.27Å; Y378-M380 VanDerWaalsContact C-N 3.3Å; Y378-M380 PolarHBondContact O-N 2.75Å; M380-W393 HydrophobicContact CG-CZ3 4.16Å; M380-W393 HydrophobicContact SD-CZ3 4.19Å; M380-S397 VanDerWaalsContact CG-OG 3.24Å; M380-S397 WeakPolarHBondContact CG-OG 3.28Å
381	A	84.8	Confident	71.5	Confident	6 Å²	6	55 Å²	55	5%	0.05	32%	0.323	C	S	.	.			trans	-68.4	139.8	167	0	0	0	0	0	110.7	H351 Y378 L379 L383	H351-A381 PolarHBondContact CE1-O 3.06Å; Y378-A381 VanDerWaalsContact O-CB 3.31Å; Y378-A381 WeakPolarHBondContact O-CB 3.41Å; Y378-A381 PolarHBondContact O-N 2.04Å; Y378-A381 VanDerWaalsContact O-N 3.15Å; L379-A381 VanDerWaalsContact C-N 3.32Å; A381-L383 PolarHBondContact O-N 3.09Å
382	P	73.2	Confident	71.1	Confident	60 Å²	60	51.2 Å²	51.2	39%	0.39	31%	0.307	S	S	.	.	S	Bend	trans	-72.4	-13	-178.9	32.6	-40	0	0	0	113.8	D363	D363-P382 HydrophobicContact CB-CG 4.27Å
383	L	63.4	Low	71.3	Confident	128 Å²	128	49.7 Å²	49.7	67%	0.67	29%	0.291	S	S	*	.	S	Bend	trans	-134.8	106.4	-179.8	-82.2	164.8	0	0	0	107.8	A381 V385	A381-L383 PolarHBondContact O-N 3.09Å; L383-V385 PolarHBondContact O-N 3.48Å; L383-V385 VanDerWaalsContact O-N 3.1Å
384	F	54.9	Low	71.6	Confident	80 Å²	80	42.5 Å²	42.5	35%	0.351	25%	0.252	S	S	.	.			trans	-76.8	97.4	-176	-170.3	-95.2	0	0	0	111.1	F347 L379 L387	F347-F384 HydrophobicContact CB-CE2 4.12Å; F347-F384 HydrophobicContact CB-CZ 4.28Å; F347-F384 HydrophobicContact CD1-CE2 4.24Å; F347-F384 HydrophobicContact CD1-CZ 4.19Å; F347-F384 HydrophobicContact CD2-CZ 4.2Å; F347-F384 HydrophobicContact CG-CE2 4.12Å; F347-F384 AromaticContact CG-CZ 3.93Å; F347-F384 HydrophobicContact CG-CZ 3.93Å; L379-F384 HydrophobicContact CD1-CE2 4.45Å; F384-L387 HydrophobicContact CE2-CB 4.01Å; F384-L387 HydrophobicContact CZ-CB 3.97Å
385	V	51	Low	72.1	Confident	95 Å²	95	44 Å²	44	58%	0.576	26%	0.263	S	S	*	.	S	Bend	trans	-95.2	-51	179.2	-177.5	0	0	0	0	111.6	L383	L383-V385 PolarHBondContact O-N 3.48Å; L383-V385 VanDerWaalsContact O-N 3.1Å
386	S	55.2	Low	73	Confident	68 Å²	68	42.6 Å²	42.6	48%	0.476	25%	0.248	S	C	.	.			trans	-165.6	125.1	176	49	0	0	0	0	111.8	H377	H377-S386 WeakPolarHBondContact CA-O 3.37Å; H377-S386 WeakPolarHBondContact CB-O 3.43Å
387	L	60.2	Low	74.2	Confident	31 Å²	31	40.8 Å²	40.8	16%	0.162	23%	0.23	C	C	.	.			trans	-78.4	127	-179.4	-172.3	65.1	0	0	0	112.1	L242 F347 L379 F384 K389 P392	L242-L387 HydrophobicContact CD2-CD2 4.18Å; F347-L387 HydrophobicContact CD1-CD2 3.91Å; F347-L387 HydrophobicContact CE1-CD2 3.57Å; L379-L387 HydrophobicContact CB-CD1 4.09Å; F384-L387 HydrophobicContact CE2-CB 4.01Å; F384-L387 HydrophobicContact CZ-CB 3.97Å; L387-K389 WeakPolarHBondContact O-CG 3.41Å; L387-K389 PolarHBondContact O-N 3.33Å; L387-K389 VanDerWaalsContact O-N 3.09Å; L387-P392 HydrophobicContact CD1-CB 3.89Å; L387-P392 HydrophobicContact CD2-CB 3.98Å; L387-P392 HydrophobicContact CG-CB 4.05Å
388	N	62	Low	75.2	Confident	61 Å²	61	38.4 Å²	38.4	33%	0.326	22%	0.22	S	C	.	.			trans	-73.5	95.2	166.8	-179.6	-7.1	0	0	0	109.6	H377 S390 V391 P392	H377-N388 HydrophobicContact CB-CB 4.37Å; H377-N388 PolarHBondContact O-N 3.03Å; N388-S390 VanDerWaalsContact C-N 3.31Å; N388-S390 PolarHBondContact O-N 2.86Å; N388-S390 PolarHBondContact OD1-N 3.04Å; N388-V391 CarbonylContact O-C 3.49Å; N388-V391 PolarHBondContact O-N 3.02Å; N388-V391 VanDerWaalsContact O-N 3.12Å; N388-P392 WeakPolarHBondContact O-CA 3.29Å
389	K	52.1	Low	75.4	Confident	45 Å²	45	39.5 Å²	39.5	20%	0.196	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-20	-169.6	-56.5	-176.7	-176.4	-180	0	115.5	N117 I133 L387 V391 P392	N117-K389 HydrophobicContact CB-CB 4.46Å; N117-K389 HydrophobicContact CB-CD 4.44Å; N117-K389 WeakPolarHBondContact O-CD 3.27Å; N117-K389 WeakPolarHBondContact O-CE 3.45Å; N117-K389 PolarHBondContact O-NZ 2.94Å; I133-K389 PolarHBondContact O-NZ 2.9Å; L387-K389 WeakPolarHBondContact O-CG 3.41Å; L387-K389 PolarHBondContact O-N 3.33Å; L387-K389 VanDerWaalsContact O-N 3.09Å; K389-V391 VanDerWaalsContact C-N 3.32Å; K389-P392 WeakPolarHBondContact O-CD 3.44Å
390	S	59.8	Low	75.7	Confident	68 Å²	68	41.6 Å²	41.6	48%	0.476	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-19.1	174.4	-35.7	0	0	0	0	112.1	N117 H245 N388	N117-S390 PolarHBondContact OD1-OG 2.81Å; H245-S390 PolarHBondContact CE1-O 3.29Å; H245-S390 VanDerWaalsContact CE1-O 3.27Å; N388-S390 VanDerWaalsContact C-N 3.31Å; N388-S390 PolarHBondContact O-N 2.86Å; N388-S390 PolarHBondContact OD1-N 3.04Å
391	V	73.4	Confident	75.7	Confident	60 Å²	60	41.6 Å²	41.6	36%	0.364	24%	0.236	S	C	.	.	S	Bend	trans	-145.5	69.2	174.4	-167.5	0	0	0	0	109.4	Y378 N388 K389 W393	Y378-V391 VanDerWaalsContact CD1-O 3.24Å; Y378-V391 WeakPolarHBondContact CD1-O 3.36Å; Y378-V391 HydrophobicContact CE1-CG1 4.23Å; Y378-V391 VanDerWaalsContact CE1-O 3.3Å; Y378-V391 WeakPolarHBondContact CE1-O 3.1Å; N388-V391 CarbonylContact O-C 3.49Å; N388-V391 PolarHBondContact O-N 3.02Å; N388-V391 VanDerWaalsContact O-N 3.12Å; K389-V391 VanDerWaalsContact C-N 3.32Å; V391-W393 VanDerWaalsContact C-N 3.3Å; V391-W393 PolarHBondContact O-N 2.96Å
392	P	78.9	Confident	75.8	Confident	4 Å²	4	42.5 Å²	42.5	3%	0.026	24%	0.241	C	C	.	.			trans	-71	-24.3	-172.5	27.3	-35.7	0	0	0	113.5	H245 S247 L379 L387 N388 K389	H245-P392 HydrophobicContact CB-CG 4.09Å; H245-P392 VanDerWaalsContact ND1-CD 3.32Å; H245-P392 WeakPolarHBondContact ND1-CD 3.01Å; S247-P392 WeakPolarHBondContact OG-CD 3.49Å; L379-P392 WeakPolarHBondContact CB-O 3.38Å; L379-P392 PolarHBondContact N-O 3.44Å; L387-P392 HydrophobicContact CD1-CB 3.89Å; L387-P392 HydrophobicContact CD2-CB 3.98Å; L387-P392 HydrophobicContact CG-CB 4.05Å; N388-P392 WeakPolarHBondContact O-CA 3.29Å; K389-P392 WeakPolarHBondContact O-CD 3.44Å
393	W	89.9	Confident	76.3	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.008	24%	0.237	C	C	.	.	S	Bend	trans	-100.8	131.7	176.6	-61.6	103	0	0	0	110.6	L242 Y243 S247 I248 M359 L379 M380 V391	L242-W393 PolarHBondContact O-NE1 2.9Å; Y243-W393 HydrophobicContact CD1-CZ2 4.08Å; Y243-W393 HydrophobicContact CD2-CH2 4.43Å; Y243-W393 AromaticContact CD2-CZ2 3.94Å; Y243-W393 HydrophobicContact CD2-CZ2 3.94Å; Y243-W393 AromaticContact CE1-CH2 3.85Å; Y243-W393 HydrophobicContact CE1-CH2 3.85Å; Y243-W393 AromaticContact CE1-CZ2 3.86Å; Y243-W393 HydrophobicContact CE1-CZ2 3.86Å; Y243-W393 AromaticContact CE2-CH2 3.72Å; Y243-W393 HydrophobicContact CE2-CH2 3.72Å; Y243-W393 AromaticContact CE2-CZ2 3.69Å; Y243-W393 HydrophobicContact CE2-CZ2 3.69Å; Y243-W393 HydrophobicContact CG-CZ2 4.13Å; Y243-W393 AromaticContact CZ-CH2 3.39Å; Y243-W393 AromaticContact CZ-CZ2 3.66Å; Y243-W393 WeakPolarHBondContact OH-CH2 3.4Å; S247-W393 PolarHBondContact OG-N 3Å; I248-W393 HydrophobicContact CB-CB 4.45Å; I248-W393 HydrophobicContact CB-CD2 4.44Å; I248-W393 HydrophobicContact CB-CG 3.95Å; I248-W393 HydrophobicContact CD1-CD2 4.12Å; I248-W393 HydrophobicContact CD1-CH2 4.48Å; I248-W393 HydrophobicContact CD1-CZ2 3.94Å; I248-W393 HydrophobicContact CG1-CD2 4.1Å; I248-W393 HydrophobicContact CG1-CG 4.08Å; M359-W393 HydrophobicContact CE-CE3 4.09Å; M359-W393 HydrophobicContact CE-CH2 4.04Å; M359-W393 HydrophobicContact CE-CZ3 3.63Å; M359-W393 HydrophobicContact SD-CE3 3.89Å; M359-W393 HydrophobicContact SD-CH2 4.4Å; M359-W393 HydrophobicContact SD-CZ3 3.5Å; M359-W393 WeakPolarHBondContact SD-CZ3 3.42Å; L379-W393 HydrophobicContact CB-CE3 4.35Å; L379-W393 HydrophobicContact CB-CZ3 4.35Å; L379-W393 HydrophobicContact CD2-CD2 4.5Å; L379-W393 HydrophobicContact CD2-CE3 4.35Å; L379-W393 HydrophobicContact CD2-CH2 3.5Å; L379-W393 VanDerWaalsContact CD2-CH2 3.5Å; L379-W393 HydrophobicContact CD2-CZ2 3.66Å; L379-W393 HydrophobicContact CD2-CZ3 3.86Å; L379-W393 HydrophobicContact CG-CH2 4.41Å; L379-W393 HydrophobicContact CG-CZ3 4.35Å; M380-W393 HydrophobicContact CG-CZ3 4.16Å; M380-W393 HydrophobicContact SD-CZ3 4.19Å; V391-W393 VanDerWaalsContact C-N 3.3Å; V391-W393 PolarHBondContact O-N 2.96Å
394	S	92.1	Very high	77.4	Confident	1 Å²	1	37 Å²	37	1%	0.007	21%	0.206	C	C	.	.			trans	-73.3	163.7	179.3	87.6	0	0	0	0	112.4	D362 Y378 C396 S397 S398	D362-S394 WeakPolarHBondContact OD1-CB 3.38Å; D362-S394 PolarHBondContact OD1-OG 2.78Å; Y378-S394 VanDerWaalsContact CD2-CB 3.47Å; Y378-S394 VanDerWaalsContact CG-CB 3.49Å; S394-C396 PolarHBondContact O-N 3.26Å; S394-C396 PolarHBondContact OG-N 2.88Å; S394-S397 WeakPolarHBondContact O-CB 3.47Å; S394-S397 PolarHBondContact O-N 3.11Å; S394-S397 PolarHBondContact OG-N 3.19Å; S394-S397 PolarHBondContact OG-OG 2.82Å; S394-S398 PolarHBondContact O-N 3.41Å
395	P	90.5	Very high	79	Confident	51 Å²	51	33.7 Å²	33.7	33%	0.331	19%	0.192	S	C	.	.	H	α-helix	trans	-53.4	-38.1	166.5	-26.6	36.1	0	0	0	113	F371 L374 S398 L399	F371-P395 HydrophobicContact CD1-CB 3.68Å; F371-P395 HydrophobicContact CE1-CB 3.63Å; F371-P395 HydrophobicContact CG-CB 4.28Å; F371-P395 HydrophobicContact CZ-CB 4.2Å; L374-P395 HydrophobicContact CD2-CG 4.36Å; P395-S398 PolarHBondContact O-N 2.61Å; P395-S398 PolarHBondContact O-OG 2.9Å; P395-L399 PolarHBondContact O-N 3.19Å
396	C	91.6	Very high	80.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68.2	-48	178.9	-158.6	0	0	0	0	111.8	C367 F371 L374 S394 S398 L399 Y400	C367-C396 WeakPolarHBondContact CA-SG 3.21Å; C367-C396 HydrophobicContact CB-CB 3.79Å; C367-C396 WeakPolarHBondContact CB-SG 3.31Å; C367-C396 WeakPolarHBondContact SG-CB 3.47Å; C367-C396 CovalentContact SG-SG 2.04Å; C367-C396 PolarHBondContact SG-SG 2.96Å; F371-C396 HydrophobicContact CD2-CB 3.77Å; F371-C396 HydrophobicContact CE2-CB 3.81Å; L374-C396 HydrophobicContact CD1-CB 3.84Å; S394-C396 PolarHBondContact O-N 3.26Å; S394-C396 PolarHBondContact OG-N 2.88Å; C396-S398 VanDerWaalsContact C-N 3.29Å; C396-S398 PolarHBondContact O-N 3.1Å; C396-L399 WeakPolarHBondContact O-CB 3.46Å; C396-L399 PolarHBondContact O-N 2.94Å; C396-L399 VanDerWaalsContact O-N 3.11Å; C396-Y400 WeakPolarHBondContact O-CD2 3.41Å; C396-Y400 PolarHBondContact O-N 3.2Å; C396-Y400 VanDerWaalsContact SG-CE2 3.58Å
397	S	93.9	Very high	81.2	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-51.5	-49.4	173.1	-63.9	0	0	0	0	111	M380 S394 L399 Y400 I401	M380-S397 VanDerWaalsContact CG-OG 3.24Å; M380-S397 WeakPolarHBondContact CG-OG 3.28Å; S394-S397 WeakPolarHBondContact O-CB 3.47Å; S394-S397 PolarHBondContact O-N 3.11Å; S394-S397 PolarHBondContact OG-N 3.19Å; S394-S397 PolarHBondContact OG-OG 2.82Å; S397-L399 VanDerWaalsContact C-N 3.35Å; S397-L399 PolarHBondContact O-N 3.34Å; S397-Y400 PolarHBondContact O-N 2.81Å; S397-I401 VanDerWaalsContact O-CG2 3.32Å; S397-I401 WeakPolarHBondContact O-CG2 3.02Å; S397-I401 PolarHBondContact O-N 3.31Å
398	S	91.8	Very high	82	Confident	11 Å²	11	28.8 Å²	28.8	8%	0.077	16%	0.161	C	C	.	.	H	α-helix	trans	-65.1	-32.9	-179.8	80.6	0	0	0	0	113.6	S394 P395 C396 T402	S394-S398 PolarHBondContact O-N 3.41Å; P395-S398 PolarHBondContact O-N 2.61Å; P395-S398 PolarHBondContact O-OG 2.9Å; C396-S398 VanDerWaalsContact C-N 3.29Å; C396-S398 PolarHBondContact O-N 3.1Å; S398-T402 VanDerWaalsContact O-CB 3.31Å; S398-T402 WeakPolarHBondContact O-CB 3.12Å; S398-T402 PolarHBondContact O-N 2.85Å; S398-T402 PolarHBondContact O-OG1 3.16Å
399	L	88.8	Confident	83	Confident	57 Å²	57	31 Å²	31	30%	0.298	17%	0.169	S	C	.	.	H	α-helix	trans	-68.4	-50.5	175.1	175.9	64.7	0	0	0	111.1	L370 F371 P395 C396 S397 T402 E403	L370-L399 HydrophobicContact CD1-CD2 4.03Å; F371-L399 HydrophobicContact CE2-CB 4.5Å; F371-L399 HydrophobicContact CE2-CD2 3.92Å; F371-L399 HydrophobicContact CZ-CB 4.16Å; F371-L399 HydrophobicContact CZ-CD2 3.83Å; P395-L399 PolarHBondContact O-N 3.19Å; C396-L399 WeakPolarHBondContact O-CB 3.46Å; C396-L399 PolarHBondContact O-N 2.94Å; C396-L399 VanDerWaalsContact O-N 3.11Å; S397-L399 VanDerWaalsContact C-N 3.35Å; S397-L399 PolarHBondContact O-N 3.34Å; L399-T402 WeakPolarHBondContact O-CB 3.44Å; L399-T402 PolarHBondContact O-N 3.41Å; L399-E403 HydrophobicContact CD1-CG 4.34Å; L399-E403 PolarHBondContact O-N 3.27Å
400	Y	90.3	Very high	84.6	Confident	45 Å²	45	28.9 Å²	28.9	18%	0.176	16%	0.16	C	C	.	.	H	α-helix	trans	-65.5	-44.4	-172.7	-89.6	-83.1	0	0	0	112.8	S358 P360 T366 C396 S397 T402 E403 F404	S358-Y400 WeakPolarHBondContact O-CD1 3.34Å; P360-Y400 VanDerWaalsContact CD-CD2 3.42Å; P360-Y400 HydrophobicContact CG-CD1 4.39Å; P360-Y400 HydrophobicContact CG-CD2 3.73Å; P360-Y400 HydrophobicContact CG-CE1 4.28Å; P360-Y400 HydrophobicContact CG-CE2 3.6Å; P360-Y400 HydrophobicContact CG-CG 4.14Å; T366-Y400 WeakPolarHBondContact CB-OH 3.44Å; T366-Y400 WeakPolarHBondContact CG2-OH 3.08Å; C396-Y400 WeakPolarHBondContact O-CD2 3.41Å; C396-Y400 PolarHBondContact O-N 3.2Å; C396-Y400 VanDerWaalsContact SG-CE2 3.58Å; S397-Y400 PolarHBondContact O-N 2.81Å; Y400-T402 VanDerWaalsContact C-N 3.3Å; Y400-T402 PolarHBondContact O-N 2.88Å; Y400-E403 PolarHBondContact O-N 3.48Å; Y400-F404 WeakPolarHBondContact O-CB 3.41Å; Y400-F404 PolarHBondContact O-N 2.83Å
401	I	92.8	Very high	85.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.7	-33	174.3	-167.7	178.7	0	0	0	112.1	I248 V252 L357 M359 S397 F404 F405	I248-I401 HydrophobicContact CD1-CD1 3.82Å; I248-I401 HydrophobicContact CG1-CD1 4.25Å; I248-I401 HydrophobicContact CG1-CG2 4.13Å; V252-I401 HydrophobicContact CG2-CD1 4.03Å; L357-I401 HydrophobicContact CB-CG1 4.46Å; L357-I401 HydrophobicContact CD1-CD1 3.97Å; M359-I401 HydrophobicContact CE-CB 3.91Å; M359-I401 HydrophobicContact CE-CD1 3.76Å; M359-I401 HydrophobicContact CE-CG1 4.29Å; M359-I401 HydrophobicContact CE-CG2 4.2Å; M359-I401 HydrophobicContact CG-CB 4.5Å; S397-I401 VanDerWaalsContact O-CG2 3.32Å; S397-I401 WeakPolarHBondContact O-CG2 3.02Å; S397-I401 PolarHBondContact O-N 3.31Å; I401-F404 PolarHBondContact O-N 3Å; I401-F405 HydrophobicContact CD1-CE2 3.65Å; I401-F405 HydrophobicContact CD1-CZ 3.68Å; I401-F405 HydrophobicContact CG1-CD2 4.06Å; I401-F405 HydrophobicContact CG1-CE1 4.23Å; I401-F405 HydrophobicContact CG1-CE2 3.49Å; I401-F405 VanDerWaalsContact CG1-CE2 3.49Å; I401-F405 HydrophobicContact CG1-CZ 3.6Å; I401-F405 WeakPolarHBondContact O-CG 3.4Å; I401-F405 PolarHBondContact O-N 3.48Å
402	T	86.7	Confident	86.5	Confident	25 Å²	25	25.4 Å²	25.4	15%	0.153	14%	0.135	C	C	.	.	H	α-helix	trans	-66.2	-47.1	173.6	-59.1	0	0	0	0	111.5	N250 S398 L399 Y400 F404 F405 D406	N250-T402 PolarHBondContact ND2-OG1 2.86Å; S398-T402 VanDerWaalsContact O-CB 3.31Å; S398-T402 WeakPolarHBondContact O-CB 3.12Å; S398-T402 PolarHBondContact O-N 2.85Å; S398-T402 PolarHBondContact O-OG1 3.16Å; L399-T402 WeakPolarHBondContact O-CB 3.44Å; L399-T402 PolarHBondContact O-N 3.41Å; Y400-T402 VanDerWaalsContact C-N 3.3Å; Y400-T402 PolarHBondContact O-N 2.88Å; T402-F404 VanDerWaalsContact C-N 3.3Å; T402-F404 PolarHBondContact O-N 3.36Å; T402-F405 PolarHBondContact O-N 2.92Å; T402-D406 VanDerWaalsContact O-CB 3.28Å; T402-D406 WeakPolarHBondContact O-CB 3.5Å; T402-D406 PolarHBondContact O-N 2.89Å
403	E	83.6	Confident	87	Confident	63 Å²	63	25.3 Å²	25.3	29%	0.294	13%	0.134	S	C	.	.	H	α-helix	trans	-63.4	-35.1	174	-74.3	-151.9	139.3	0	0	111.9	L399 Y400 N407 K627	L399-E403 HydrophobicContact CD1-CG 4.34Å; L399-E403 PolarHBondContact O-N 3.27Å; Y400-E403 PolarHBondContact O-N 3.48Å; E403-N407 WeakPolarHBondContact O-CB 3.2Å; E403-N407 PolarHBondContact O-N 3.19Å; E403-N407 VanDerWaalsContact O-N 3.11Å; E403-N407 PolarHBondContact O-ND2 2.88Å; E403-K627 IonicContact OE1-NZ 3.19Å; E403-K627 PolarHBondContact OE1-NZ 2.85Å
404	F	86.6	Confident	86.8	Confident	9 Å²	9	28.5 Å²	28.5	4%	0.039	15%	0.151	C	C	.	.	H	α-helix	trans	-62.4	-48.3	176.9	-171.6	-100.1	0	0	0	111.9	M328 L357 Y400 I401 T402 H409	M328-F404 HydrophobicContact CB-CE1 3.95Å; M328-F404 HydrophobicContact CB-CZ 3.82Å; L357-F404 HydrophobicContact CD2-CD1 4.32Å; L357-F404 HydrophobicContact CD2-CE1 4.12Å; L357-F404 WeakPolarHBondContact O-CG 3.28Å; Y400-F404 WeakPolarHBondContact O-CB 3.41Å; Y400-F404 PolarHBondContact O-N 2.83Å; I401-F404 PolarHBondContact O-N 3Å; T402-F404 VanDerWaalsContact C-N 3.3Å; T402-F404 PolarHBondContact O-N 3.36Å; F404-H409 HydrophobicContact CD1-CB 4.2Å; F404-H409 HydrophobicContact CD2-CB 3.46Å; F404-H409 VanDerWaalsContact CD2-CB 3.46Å; F404-H409 HydrophobicContact CE1-CB 4.11Å; F404-H409 HydrophobicContact CE2-CB 3.36Å; F404-H409 HydrophobicContact CG-CB 3.89Å; F404-H409 HydrophobicContact CZ-CB 3.7Å; F404-H409 WeakPolarHBondContact O-CB 3.26Å; F404-H409 PolarHBondContact O-N 3.31Å
405	F	87.5	Confident	86	Confident	12 Å²	12	31.3 Å²	31.3	5%	0.053	17%	0.166	C	C	.	.	H	α-helix	trans	-72.6	-45	177.5	-63.2	-25.3	0	0	0	113.2	R208 N250 V252 L357 I401 T402 N407 G408 L413	R208-F405 HydrophobicContact CB-CE2 4.35Å; R208-F405 HydrophobicContact CB-CZ 4.16Å; R208-F405 HydrophobicContact CG-CD1 4.26Å; R208-F405 HydrophobicContact CG-CD2 3.96Å; R208-F405 HydrophobicContact CG-CE1 4.12Å; R208-F405 HydrophobicContact CG-CE2 3.78Å; R208-F405 HydrophobicContact CG-CG 4.2Å; R208-F405 HydrophobicContact CG-CZ 3.86Å; N250-F405 HydrophobicContact CB-CD2 4.38Å; N250-F405 HydrophobicContact CB-CE2 4.15Å; N250-F405 WeakPolarHBondContact OD1-CD2 3.43Å; V252-F405 HydrophobicContact CG2-CE2 3.76Å; V252-F405 HydrophobicContact CG2-CZ 4.07Å; L357-F405 HydrophobicContact CD2-CE1 3.82Å; L357-F405 HydrophobicContact CD2-CZ 4.02Å; I401-F405 HydrophobicContact CD1-CE2 3.65Å; I401-F405 HydrophobicContact CD1-CZ 3.68Å; I401-F405 HydrophobicContact CG1-CD2 4.06Å; I401-F405 HydrophobicContact CG1-CE1 4.23Å; I401-F405 HydrophobicContact CG1-CE2 3.49Å; I401-F405 VanDerWaalsContact CG1-CE2 3.49Å; I401-F405 HydrophobicContact CG1-CZ 3.6Å; I401-F405 WeakPolarHBondContact O-CG 3.4Å; I401-F405 PolarHBondContact O-N 3.48Å; T402-F405 PolarHBondContact O-N 2.92Å; F405-N407 PolarHBondContact O-N 3.27Å; F405-G408 PolarHBondContact O-N 2.69Å; F405-L413 HydrophobicContact CE1-CD1 3.62Å; F405-L413 HydrophobicContact CZ-CD1 4.15Å
406	D	78.8	Confident	85	Confident	20 Å²	20	33.7 Å²	33.7	11%	0.107	18%	0.179	C	C	.	.	H	α-helix	trans	-65.2	-27	-177.7	-81.7	4.3	0	0	0	111.9	F203 T402 R554 Q646	F203-D406 HydrophobicContact CD1-CB 3.91Å; F203-D406 HydrophobicContact CE1-CB 4.38Å; T402-D406 VanDerWaalsContact O-CB 3.28Å; T402-D406 WeakPolarHBondContact O-CB 3.5Å; T402-D406 PolarHBondContact O-N 2.89Å; D406-R554 IonicContact OD1-CZ 2.98Å; D406-R554 IonicContact OD1-NH1 3.99Å; D406-R554 PolarHBondContact OD1-NH1 2.93Å; D406-Q646 PolarHBondContact O-NE2 3.08Å
407	N	74.4	Confident	83.4	Confident	56 Å²	56	34.3 Å²	34.3	30%	0.299	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.6	172.3	-72.3	-52.2	0	0	0	115.2	E403 F405 Q644 Q646	E403-N407 WeakPolarHBondContact O-CB 3.2Å; E403-N407 PolarHBondContact O-N 3.19Å; E403-N407 VanDerWaalsContact O-N 3.11Å; E403-N407 PolarHBondContact O-ND2 2.88Å; F405-N407 PolarHBondContact O-N 3.27Å; N407-Q644 PolarHBondContact OD1-O 3.04Å; N407-Q646 PolarHBondContact OD1-NE2 3.32Å
408	G	76.7	Confident	81.3	Confident	14 Å²	14	41.9 Å²	41.9	14%	0.144	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	24.4	-179.5	0	0	0	0	0	114	F405 D411	F405-G408 PolarHBondContact O-N 2.69Å; G408-D411 WeakPolarHBondContact CA-OD1 3.2Å; G408-D411 WeakPolarHBondContact O-CB 3.39Å
409	H	82	Confident	79	Confident	108 Å²	108	46 Å²	46	50%	0.5	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-24.1	170.9	-67.4	-68.5	0	0	0	112.3	C329 F404	C329-H409 PolarHBondContact SG-O 3.27Å; F404-H409 HydrophobicContact CD1-CB 4.2Å; F404-H409 HydrophobicContact CD2-CB 3.46Å; F404-H409 VanDerWaalsContact CD2-CB 3.46Å; F404-H409 HydrophobicContact CE1-CB 4.11Å; F404-H409 HydrophobicContact CE2-CB 3.36Å; F404-H409 HydrophobicContact CG-CB 3.89Å; F404-H409 HydrophobicContact CZ-CB 3.7Å; F404-H409 WeakPolarHBondContact O-CB 3.26Å; F404-H409 PolarHBondContact O-N 3.31Å
410	G	86	Confident	76.5	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.01	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	31.8	167.8	0	0	0	0	0	113.9	C412 L413	G410-C412 PolarHBondContact O-N 2.97Å; G410-L413 WeakPolarHBondContact O-CB 3.44Å; G410-L413 PolarHBondContact O-N 2.99Å
411	D	86.5	Confident	73.9	Confident	39 Å²	39	52.4 Å²	52.4	21%	0.209	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21	-179.9	-94.7	-10.8	0	0	0	114.1	R200 G408 L413	R200-D411 IonicContact CZ-OD1 3.37Å; R200-D411 IonicContact CZ-OD2 3.66Å; R200-D411 VanDerWaalsContact NH1-CG 3.32Å; R200-D411 IonicContact NH1-OD1 3.48Å; R200-D411 PolarHBondContact NH1-OD1 2.71Å; R200-D411 IonicContact NH1-OD2 3.32Å; R200-D411 PolarHBondContact NH1-OD2 2.9Å; R200-D411 IonicContact NH2-OD1 3.78Å; R200-D411 IonicContact NH2-OD2 2.65Å; R200-D411 PolarHBondContact NH2-OD2 3.01Å; G408-D411 WeakPolarHBondContact CA-OD1 3.2Å; G408-D411 WeakPolarHBondContact O-CB 3.39Å; D411-L413 VanDerWaalsContact C-N 3.34Å
412	C	87.6	Confident	71	Confident	15 Å²	15	57.9 Å²	57.9	10%	0.101	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-28.1	177.5	52.6	0	0	0	0	112.5	Q294 D301 C329 G410 L414	Q294-C412 PolarHBondContact NE2-O 3.18Å; D301-C412 WeakPolarHBondContact OD1-CB 3.23Å; D301-C412 PolarHBondContact OD1-SG 3.12Å; C329-C412 WeakPolarHBondContact CA-SG 3.27Å; C329-C412 HydrophobicContact CB-CB 3.85Å; C329-C412 WeakPolarHBondContact CB-SG 3.44Å; C329-C412 WeakPolarHBondContact SG-CB 3.44Å; C329-C412 PolarHBondContact SG-N 3.05Å; C329-C412 CovalentContact SG-SG 2.03Å; C329-C412 PolarHBondContact SG-SG 3.17Å; G410-C412 PolarHBondContact O-N 2.97Å; C412-L414 PolarHBondContact O-N 2.99Å
413	L	89.9	Confident	68.4	Low	2 Å²	2	62.7 Å²	62.7	1%	0.01	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	21.1	-174.3	-47.3	-177.7	0	0	0	114	R208 F209 I210 D301 M328 L357 F405 G410 D411	R208-L413 VanDerWaalsContact CA-O 3.31Å; R208-L413 WeakPolarHBondContact CA-O 3.27Å; R208-L413 HydrophobicContact CB-CB 4.04Å; R208-L413 HydrophobicContact CB-CD1 4.25Å; R208-L413 HydrophobicContact CG-CB 4.47Å; F209-L413 PolarHBondContact N-O 3.3Å; F209-L413 VanDerWaalsContact O-CA 3.28Å; F209-L413 WeakPolarHBondContact O-CA 3.41Å; F209-L413 VanDerWaalsContact O-CB 3.26Å; F209-L413 WeakPolarHBondContact O-CB 3.48Å; F209-L413 WeakPolarHBondContact O-CD2 3.32Å; I210-L413 HydrophobicContact CB-CD2 4.49Å; I210-L413 HydrophobicContact CD1-CD1 4.34Å; I210-L413 HydrophobicContact CG1-CD1 3.84Å; I210-L413 HydrophobicContact CG1-CD2 3.93Å; I210-L413 HydrophobicContact CG1-CG 4.43Å; D301-L413 HydrophobicContact CB-CD2 3.84Å; D301-L413 VanDerWaalsContact CG-CD2 3.41Å; D301-L413 WeakPolarHBondContact OD2-CD2 3.3Å; M328-L413 HydrophobicContact CG-CD1 4.07Å; M328-L413 HydrophobicContact CG-CD2 3.75Å; M328-L413 HydrophobicContact CG-CG 4.16Å; M328-L413 HydrophobicContact SD-CD2 3.95Å; L357-L413 HydrophobicContact CD2-CD1 4.18Å; F405-L413 HydrophobicContact CE1-CD1 3.62Å; F405-L413 HydrophobicContact CZ-CD1 4.15Å; G410-L413 WeakPolarHBondContact O-CB 3.44Å; G410-L413 PolarHBondContact O-N 2.99Å; D411-L413 VanDerWaalsContact C-N 3.34Å
414	L	83.9	Confident	66.1	Low	69 Å²	69	64.8 Å²	64.8	36%	0.361	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-20.4	-168.8	-93.1	168.6	0	0	0	113.4	C412	C412-L414 PolarHBondContact O-N 2.99Å
415	D	77	Confident	63.8	Low	60 Å²	60	69.6 Å²	69.6	32%	0.321	40%	0.398	S	S	.	.	S	Bend	trans	-63	152.6	170.5	-58	50.4	0	0	0	110.7	F209	F209-D415 WeakPolarHBondContact CD2-O 3.4Å
416	V	68.6	Low	61.7	Low	101 Å²	101	74.8 Å²	74.8	61%	0.612	42%	0.422	S	S	*	.			trans	-115.4	110.6	176.5	-172.6	0	0	0	0	108.4	F209	F209-V416 HydrophobicContact CD2-CG2 4.33Å; F209-V416 HydrophobicContact CE1-CG1 4.43Å; F209-V416 HydrophobicContact CE2-CB 4.3Å; F209-V416 HydrophobicContact CE2-CG1 4.12Å; F209-V416 HydrophobicContact CE2-CG2 3.8Å; F209-V416 HydrophobicContact CZ-CG1 3.96Å; F209-V416 HydrophobicContact CZ-CG2 4.41Å
417	P	58.7	Low	60.2	Low	14 Å²	14	75.1 Å²	75.1	9%	0.091	42%	0.424	C	S	.	.			trans	-60.7	151.7	173.8	21.3	-29.3	0	0	0	110.9	F209 V255 S419	F209-P417 HydrophobicContact CB-CG 4.34Å; F209-P417 HydrophobicContact CD1-CG 4.1Å; F209-P417 HydrophobicContact CG-CG 4.37Å; V255-P417 HydrophobicContact CB-CG 4.29Å; V255-P417 HydrophobicContact CG1-CB 4.3Å; V255-P417 HydrophobicContact CG1-CG 3.99Å; V255-P417 HydrophobicContact CG2-CG 3.95Å; P417-S419 VanDerWaalsContact C-N 3.31Å; P417-S419 PolarHBondContact O-N 3.12Å
418	E	49.8	Very low	58.9	Low	159 Å²	159	75.3 Å²	75.3	74%	0.743	43%	0.429	S	S	*	.	S	Bend	trans	-71.9	66.7	-148.4	-158.7	171.3	-146.5	0	0	116.8	P76	P76-E418 HydrophobicContact CG-CB 4.38Å; P76-E418 WeakPolarHBondContact CG-O 3.38Å
419	S	43	Very low	57.7	Low	96 Å²	96	74.8 Å²	74.8	67%	0.671	42%	0.423	S	S	*	.			trans	73.1	136.8	179.5	76.2	0	0	0	0	117.3	P76 P417	P76-S419 WeakPolarHBondContact CG-O 3.32Å; P417-S419 VanDerWaalsContact C-N 3.31Å; P417-S419 PolarHBondContact O-N 3.12Å
420	T	37	Very low	56.3	Low	92 Å²	92	73.5 Å²	73.5	56%	0.564	42%	0.423	S	S	*	.			trans	-109.8	149.1	174.6	50.7	0	0	0	0	111.1
421	I	35.1	Very low	54.6	Low	145 Å²	145	75.6 Å²	75.6	74%	0.744	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-93.8	128.3	-176.5	-56	175.8	0	0	0	109.7
422	P	31.3	Very low	53	Low	116 Å²	116	77.9 Å²	77.9	75%	0.753	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-81.4	156.3	178.9	33	-35.5	0	0	0	113.6
423	L	32.9	Very low	52.1	Low	125 Å²	125	80.7 Å²	80.7	65%	0.654	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-82.5	159.6	179.5	-71.5	168	0	0	0	113.6	I68	I68-L423 HydrophobicContact CG2-CD2 4.38Å
424	P	34.7	Very low	51.3	Low	108 Å²	108	82.1 Å²	82.1	70%	0.701	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-71	147.2	175.3	-16.5	31.9	0	0	0	113.5
425	P	38.1	Very low	50.8	Low	109 Å²	109	81.9 Å²	81.9	71%	0.708	46%	0.462	S	S	*	.			trans	-111.7	30.5	-173.3	43.2	-37.6	0	0	0	115.5
426	E	42.8	Very low	49.9	Very low	121 Å²	121	82.5 Å²	82.5	57%	0.565	46%	0.463	S	S	*	.			trans	-106	134.5	-173.9	-61.3	-175.7	146.7	0	0	112.6	R47	R47-E426 IonicContact NH2-OE2 2.75Å; R47-E426 PolarHBondContact NH2-OE2 2.02Å
427	L	47.3	Very low	49.6	Very low	27 Å²	27	77.9 Å²	77.9	14%	0.141	44%	0.435	C	S	.	.			trans	-73.4	141.3	-176.4	-33.1	-178.8	0	0	0	112	G429 T430 Q503 E507	L427-G429 PolarHBondContact O-N 3.47Å; L427-T430 HydrophobicContact CB-CG2 4.2Å; L427-T430 HydrophobicContact CD1-CG2 4.23Å; L427-T430 HydrophobicContact CG-CG2 4.33Å; L427-T430 PolarHBondContact O-N 2.97Å; L427-T430 PolarHBondContact O-OG1 3.24Å; L427-Q503 HydrophobicContact CD1-CG 4.31Å; L427-E507 WeakPolarHBondContact CA-OE2 3.42Å; L427-E507 WeakPolarHBondContact CB-OE1 2.97Å; L427-E507 HydrophobicContact CD2-CB 3.64Å; L427-E507 VanDerWaalsContact CD2-CD 3.42Å; L427-E507 HydrophobicContact CD2-CG 3.96Å; L427-E507 WeakPolarHBondContact CD2-OE1 3.28Å
428	P	47.5	Very low	49.6	Very low	61 Å²	61	77.2 Å²	77.2	40%	0.396	43%	0.43	S	S	.	.	H	α-helix	trans	-54.2	-46.8	-176.9	-28.2	34.7	0	0	0	114.9	T430 V431 Y432 E507	P428-T430 VanDerWaalsContact C-N 3.3Å; P428-T430 PolarHBondContact O-N 3.34Å; P428-V431 PolarHBondContact O-N 2.76Å; P428-V431 VanDerWaalsContact O-N 3.08Å; P428-Y432 WeakPolarHBondContact O-CD2 3.41Å; P428-Y432 PolarHBondContact O-N 3.17Å; P428-E507 WeakPolarHBondContact CD-OE2 3.43Å
429	G	52.9	Low	49.8	Very low	2 Å²	2	72.8 Å²	72.8	2%	0.021	41%	0.41	C	S	.	.	H	α-helix	trans	-75.8	-10.1	-176.1	0	0	0	0	0	115.1	L427 V431 D482 G483 T484	L427-G429 PolarHBondContact O-N 3.47Å; G429-V431 VanDerWaalsContact C-N 3.32Å; G429-D482 WeakPolarHBondContact CA-O 3.33Å; G429-D482 PolarHBondContact N-O 2.98Å; G429-G483 CarbonylContact C-O 3.56Å; G429-G483 VanDerWaalsContact C-O 3.23Å; G429-G483 CarbonylContact O-C 3.53Å; G429-T484 WeakPolarHBondContact O-CA 3.24Å
430	T	52.7	Low	49.9	Very low	81 Å²	81	72.2 Å²	72.2	50%	0.497	40%	0.397	S	S	.	.	H	α-helix	trans	-82.1	-17.7	167.4	66.5	0	0	0	0	111.8	L427 P428 G483	L427-T430 HydrophobicContact CB-CG2 4.2Å; L427-T430 HydrophobicContact CD1-CG2 4.23Å; L427-T430 HydrophobicContact CG-CG2 4.33Å; L427-T430 PolarHBondContact O-N 2.97Å; L427-T430 PolarHBondContact O-OG1 3.24Å; P428-T430 VanDerWaalsContact C-N 3.3Å; P428-T430 PolarHBondContact O-N 3.34Å; T430-G483 WeakPolarHBondContact CG2-O 3.36Å; T430-G483 PolarHBondContact N-O 2.8Å
431	V	50.3	Low	50.4	Low	45 Å²	45	70.3 Å²	70.3	27%	0.273	38%	0.382	S	S	.	.	H	α-helix	trans	-96.1	-32.5	176.8	-174.5	0	0	0	0	111.7	P428 G429	P428-V431 PolarHBondContact O-N 2.76Å; P428-V431 VanDerWaalsContact O-N 3.08Å; G429-V431 VanDerWaalsContact C-N 3.32Å
432	Y	51.9	Low	51.4	Low	88 Å²	88	65.6 Å²	65.6	35%	0.345	36%	0.357	S	S	.	.	S	Bend	trans	-121.9	119.3	-177.7	-50.3	-63.3	0	0	0	111.8	P428 Q437	P428-Y432 WeakPolarHBondContact O-CD2 3.41Å; P428-Y432 PolarHBondContact O-N 3.17Å; Y432-Q437 PolarHBondContact O-NE2 3Å
433	N	67.7	Low	52.2	Low	74 Å²	74	61 Å²	61	40%	0.396	33%	0.33	S	S	.	.			trans	-78.2	179.4	178.1	73.6	33.4	0	0	0	113	D435 Q436 Q437	N433-D435 PolarHBondContact O-N 2.85Å; N433-D435 PolarHBondContact OD1-N 2.76Å; N433-D435 VanDerWaalsContact OD1-N 3.12Å; N433-Q436 VanDerWaalsContact CG-OE1 3.29Å; N433-Q436 PolarHBondContact ND2-OE1 2.88Å; N433-Q436 WeakPolarHBondContact O-CB 3.39Å; N433-Q436 PolarHBondContact O-N 2.97Å; N433-Q436 WeakPolarHBondContact OD1-CG 3.38Å; N433-Q436 PolarHBondContact OD1-N 3.06Å; N433-Q437 VanDerWaalsContact O-CG 3.3Å; N433-Q437 WeakPolarHBondContact O-CG 3.26Å; N433-Q437 PolarHBondContact O-N 2.03Å; N433-Q437 PolarHBondContact O-NE2 3Å
434	L	74.3	Confident	53.2	Low	31 Å²	31	63 Å²	63	16%	0.162	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-40	-175.3	-70.7	168	0	0	0	114.4	Q437 C438 H448 L461 W480 T484	L434-Q437 PolarHBondContact O-N 2.82Å; L434-C438 PolarHBondContact O-N 3.49Å; L434-H448 HydrophobicContact CB-CB 3.94Å; L434-L461 HydrophobicContact CD2-CD1 3.63Å; L434-W480 HydrophobicContact CD1-CE3 4.03Å; L434-W480 HydrophobicContact CD1-CH2 3.69Å; L434-W480 HydrophobicContact CD1-CZ2 4.25Å; L434-W480 HydrophobicContact CD1-CZ3 3.59Å; L434-W480 HydrophobicContact CD2-CB 4.14Å; L434-W480 HydrophobicContact CD2-CD2 3.36Å; L434-W480 HydrophobicContact CD2-CE3 3.45Å; L434-W480 VanDerWaalsContact CD2-CE3 3.45Å; L434-W480 HydrophobicContact CD2-CG 3.7Å; L434-W480 HydrophobicContact CD2-CH2 4.29Å; L434-W480 HydrophobicContact CD2-CZ2 4.26Å; L434-W480 HydrophobicContact CD2-CZ3 3.92Å; L434-W480 HydrophobicContact CG-CE3 4.25Å; L434-W480 HydrophobicContact CG-CZ3 4.31Å; L434-T484 HydrophobicContact CD2-CG2 3.66Å; L434-T484 HydrophobicContact CG-CG2 3.81Å
435	D	72.6	Confident	54.9	Low	65 Å²	65	62.5 Å²	62.5	35%	0.348	32%	0.324	S	S	.	.	H	α-helix	trans	-64	-46.2	174.2	-62	-57.9	0	0	0	109.3	N433 Q437 C438 Q439 H448	N433-D435 PolarHBondContact O-N 2.85Å; N433-D435 PolarHBondContact OD1-N 2.76Å; N433-D435 VanDerWaalsContact OD1-N 3.12Å; D435-Q437 VanDerWaalsContact C-N 3.29Å; D435-Q437 PolarHBondContact O-N 3.23Å; D435-C438 CarbonylContact O-C 3.47Å; D435-C438 WeakPolarHBondContact O-CA 3.21Å; D435-C438 WeakPolarHBondContact O-CB 3.42Å; D435-C438 PolarHBondContact O-N 3.13Å; D435-C438 VanDerWaalsContact O-N 3.1Å; D435-Q439 WeakPolarHBondContact O-CB 3.29Å; D435-Q439 WeakPolarHBondContact O-CG 3.34Å; D435-Q439 PolarHBondContact O-N 3.18Å; D435-H448 WeakPolarHBondContact OD1-CB 3.35Å; D435-H448 PolarHBondContact OD1-N 3.22Å
436	Q	58.4	Low	56.6	Low	72 Å²	72	59.1 Å²	59.1	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-33.9	177.3	-68.9	169.6	-38	0	0	113.2	N433 Q439 Q440	N433-Q436 VanDerWaalsContact CG-OE1 3.29Å; N433-Q436 PolarHBondContact ND2-OE1 2.88Å; N433-Q436 WeakPolarHBondContact O-CB 3.39Å; N433-Q436 PolarHBondContact O-N 2.97Å; N433-Q436 WeakPolarHBondContact OD1-CG 3.38Å; N433-Q436 PolarHBondContact OD1-N 3.06Å; Q436-Q439 PolarHBondContact O-N 3Å; Q436-Q440 WeakPolarHBondContact O-CB 3.49Å; Q436-Q440 WeakPolarHBondContact O-CG 3.41Å; Q436-Q440 PolarHBondContact O-N 3.49Å
437	Q	62.5	Low	58.6	Low	4 Å²	4	54.7 Å²	54.7	2%	0.019	28%	0.28	C	S	.	.	H	α-helix	trans	-70.3	-43.1	172.9	-70.7	163.1	48.2	0	0	111.7	Y432 N433 L434 D435 Q439 Q440 I441 L461 A481 T484	Y432-Q437 PolarHBondContact O-NE2 3Å; N433-Q437 VanDerWaalsContact O-CG 3.3Å; N433-Q437 WeakPolarHBondContact O-CG 3.26Å; N433-Q437 PolarHBondContact O-N 2.03Å; N433-Q437 PolarHBondContact O-NE2 3Å; L434-Q437 PolarHBondContact O-N 2.82Å; D435-Q437 VanDerWaalsContact C-N 3.29Å; D435-Q437 PolarHBondContact O-N 3.23Å; Q437-Q439 VanDerWaalsContact C-N 3.25Å; Q437-Q439 PolarHBondContact O-N 3.15Å; Q437-Q440 PolarHBondContact O-N 3.06Å; Q437-I441 WeakPolarHBondContact O-CB 3.45Å; Q437-I441 WeakPolarHBondContact O-CD1 3.4Å; Q437-I441 VanDerWaalsContact O-CG1 3.24Å; Q437-I441 WeakPolarHBondContact O-CG1 3.27Å; Q437-I441 PolarHBondContact O-N 3.2Å; Q437-I441 VanDerWaalsContact O-N 3.09Å; Q437-L461 HydrophobicContact CB-CD2 3.81Å; Q437-A481 HydrophobicContact CG-CB 4.16Å; Q437-T484 PolarHBondContact NE2-OG1 2.85Å
438	C	57.8	Low	60.4	Low	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-41.2	171.7	-80.1	0	0	0	0	111.5	L434 D435 I441 F442 F446 C463	L434-C438 PolarHBondContact O-N 3.49Å; D435-C438 CarbonylContact O-C 3.47Å; D435-C438 WeakPolarHBondContact O-CA 3.21Å; D435-C438 WeakPolarHBondContact O-CB 3.42Å; D435-C438 PolarHBondContact O-N 3.13Å; D435-C438 VanDerWaalsContact O-N 3.1Å; C438-I441 PolarHBondContact O-N 2.81Å; C438-F442 PolarHBondContact O-N 3.37Å; C438-F446 CarbonylContact C-O 3.49Å; C438-F446 VanDerWaalsContact CB-O 3.28Å; C438-F446 WeakPolarHBondContact CB-O 3.43Å; C438-C463 WeakPolarHBondContact CA-SG 3.48Å; C438-C463 HydrophobicContact CB-CB 3.6Å; C438-C463 WeakPolarHBondContact CB-SG 3.07Å; C438-C463 VanDerWaalsContact SG-CA 3.55Å; C438-C463 WeakPolarHBondContact SG-CB 3.39Å; C438-C463 CovalentContact SG-SG 2.03Å; C438-C463 PolarHBondContact SG-SG 3.13Å
439	Q	54.6	Low	62.3	Low	67 Å²	67	52.7 Å²	52.7	31%	0.313	27%	0.266	S	S	.	.	H	α-helix	trans	-63.9	-43.2	177.1	-68.7	172.6	-38.2	0	0	112.2	D435 Q436 Q437 I441 G443 E444 F446	D435-Q439 WeakPolarHBondContact O-CB 3.29Å; D435-Q439 WeakPolarHBondContact O-CG 3.34Å; D435-Q439 PolarHBondContact O-N 3.18Å; Q436-Q439 PolarHBondContact O-N 3Å; Q437-Q439 VanDerWaalsContact C-N 3.25Å; Q437-Q439 PolarHBondContact O-N 3.15Å; Q439-I441 VanDerWaalsContact C-N 3.26Å; Q439-I441 PolarHBondContact O-N 3.37Å; Q439-G443 VanDerWaalsContact CA-O 3.26Å; Q439-G443 WeakPolarHBondContact CA-O 3.45Å; Q439-G443 CarbonylContact O-C 3.48Å; Q439-G443 PolarHBondContact O-N 2.86Å; Q439-G443 VanDerWaalsContact O-N 3.1Å; Q439-E444 WeakPolarHBondContact CG-O 3.43Å; Q439-E444 PolarHBondContact NE2-O 2.75Å; Q439-F446 VanDerWaalsContact CG-O 3.3Å; Q439-F446 WeakPolarHBondContact CG-O 3.05Å; Q439-F446 PolarHBondContact N-O 3.31Å
440	Q	46.3	Very low	63.2	Low	84 Å²	84	56.6 Å²	56.6	39%	0.393	29%	0.291	S	S	.	.	H	α-helix	trans	-65.5	-22.7	174.9	-74.3	164.6	3	0	0	114.1	Q436 Q437	Q436-Q440 WeakPolarHBondContact O-CB 3.49Å; Q436-Q440 WeakPolarHBondContact O-CG 3.41Å; Q436-Q440 PolarHBondContact O-N 3.49Å; Q437-Q440 PolarHBondContact O-N 3.06Å
441	I	46.4	Very low	63.9	Low	51 Å²	51	59.8 Å²	59.8	26%	0.262	31%	0.305	S	S	.	.	H	α-helix	trans	-107.4	-24.1	-172.6	-62.7	162.8	0	0	0	112.9	Q437 C438 Q439 L461 K474 L478	Q437-I441 WeakPolarHBondContact O-CB 3.45Å; Q437-I441 WeakPolarHBondContact O-CD1 3.4Å; Q437-I441 VanDerWaalsContact O-CG1 3.24Å; Q437-I441 WeakPolarHBondContact O-CG1 3.27Å; Q437-I441 PolarHBondContact O-N 3.2Å; Q437-I441 VanDerWaalsContact O-N 3.09Å; C438-I441 PolarHBondContact O-N 2.81Å; Q439-I441 VanDerWaalsContact C-N 3.26Å; Q439-I441 PolarHBondContact O-N 3.37Å; I441-L461 HydrophobicContact CD1-CD2 3.7Å; I441-K474 PolarHBondContact O-NZ 2.87Å; I441-L478 HydrophobicContact CD1-CD2 4.29Å; I441-L478 HydrophobicContact CG2-CD1 3.62Å; I441-L478 HydrophobicContact CG2-CD2 3.98Å; I441-L478 HydrophobicContact CG2-CG 4.47Å
442	F	56.7	Low	64.7	Low	47 Å²	47	58.8 Å²	58.8	21%	0.206	30%	0.299	C	S	.	.	H	α-helix	trans	-127.6	-31.7	-175.2	-64.8	-91.8	0	0	0	115	C438 F446 C463 K474 L478	C438-F442 PolarHBondContact O-N 3.37Å; F442-F446 HydrophobicContact CB-CB 3.64Å; F442-F446 HydrophobicContact CB-CD1 3.67Å; F442-F446 HydrophobicContact CB-CD2 3.68Å; F442-F446 HydrophobicContact CB-CE1 4.25Å; F442-F446 HydrophobicContact CB-CE2 4.26Å; F442-F446 HydrophobicContact CB-CG 3.37Å; F442-F446 HydrophobicContact CG-CD1 4.24Å; F442-F446 HydrophobicContact CG-CG 4.38Å; F442-C463 HydrophobicContact CD2-CB 3.59Å; F442-C463 WeakPolarHBondContact CD2-SG 3.13Å; F442-C463 HydrophobicContact CE2-CB 3.79Å; F442-C463 WeakPolarHBondContact CE2-SG 3.34Å; F442-C463 HydrophobicContact CG-CB 4.2Å; F442-K474 HydrophobicContact CE1-CD 4.41Å; F442-K474 HydrophobicContact CE1-CG 4.08Å; F442-K474 HydrophobicContact CZ-CD 4.45Å; F442-K474 HydrophobicContact CZ-CG 4.04Å; F442-L478 HydrophobicContact CE2-CD1 4.02Å; F442-L478 HydrophobicContact CZ-CD1 3.91Å
443	G	48.3	Very low	65.6	Low	19 Å²	19	56.9 Å²	56.9	20%	0.196	30%	0.298	C	S	.	.			trans	142.1	153.9	-178.2	0	0	0	0	0	111.9	Q439 E445 F446	Q439-G443 VanDerWaalsContact CA-O 3.26Å; Q439-G443 WeakPolarHBondContact CA-O 3.45Å; Q439-G443 CarbonylContact O-C 3.48Å; Q439-G443 PolarHBondContact O-N 2.86Å; Q439-G443 VanDerWaalsContact O-N 3.1Å; G443-E445 PolarHBondContact O-N 3.33Å; G443-E445 VanDerWaalsContact O-N 3.08Å; G443-F446 WeakPolarHBondContact O-CB 3.43Å; G443-F446 PolarHBondContact O-N 2.83Å
444	E	54.1	Low	65.6	Low	166 Å²	166	58.6 Å²	58.6	78%	0.776	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.5	-176.6	-72.1	-166.3	157.5	0	0	113.4	Q439 F446	Q439-E444 WeakPolarHBondContact CG-O 3.43Å; Q439-E444 PolarHBondContact NE2-O 2.75Å; E444-F446 VanDerWaalsContact C-N 3.26Å; E444-F446 PolarHBondContact O-N 2.74Å
445	E	70.5	Confident	65.3	Low	98 Å²	98	61.4 Å²	61.4	46%	0.458	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-11.1	172.5	69.2	-76	-179.5	0	0	114.3	G443 E465 D466	G443-E445 PolarHBondContact O-N 3.33Å; G443-E445 VanDerWaalsContact O-N 3.08Å; E445-E465 HydrophobicContact CG-CG 4.12Å; E445-E465 CarbonylContact O-C 3.23Å; E445-E465 WeakPolarHBondContact O-CA 3.46Å; E445-D466 PolarHBondContact O-N 3.36Å
446	F	73.3	Confident	65.2	Low	38 Å²	38	59.8 Å²	59.8	17%	0.167	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	108.4	-178.9	-76	-98.8	0	0	0	113.3	C438 Q439 F442 G443 E444 C463 R464 E465	C438-F446 CarbonylContact C-O 3.49Å; C438-F446 VanDerWaalsContact CB-O 3.28Å; C438-F446 WeakPolarHBondContact CB-O 3.43Å; Q439-F446 VanDerWaalsContact CG-O 3.3Å; Q439-F446 WeakPolarHBondContact CG-O 3.05Å; Q439-F446 PolarHBondContact N-O 3.31Å; F442-F446 HydrophobicContact CB-CB 3.64Å; F442-F446 HydrophobicContact CB-CD1 3.67Å; F442-F446 HydrophobicContact CB-CD2 3.68Å; F442-F446 HydrophobicContact CB-CE1 4.25Å; F442-F446 HydrophobicContact CB-CE2 4.26Å; F442-F446 HydrophobicContact CB-CG 3.37Å; F442-F446 HydrophobicContact CG-CD1 4.24Å; F442-F446 HydrophobicContact CG-CG 4.38Å; G443-F446 WeakPolarHBondContact O-CB 3.43Å; G443-F446 PolarHBondContact O-N 2.83Å; E444-F446 VanDerWaalsContact C-N 3.26Å; E444-F446 PolarHBondContact O-N 2.74Å; F446-C463 HydrophobicContact CD1-CB 4.46Å; F446-R464 CarbonylContact C-O 3.57Å; F446-R464 VanDerWaalsContact CA-O 3.24Å; F446-R464 WeakPolarHBondContact CA-O 3.4Å; F446-E465 HydrophobicContact CD1-CB 4.37Å; F446-E465 VanDerWaalsContact CD1-N 3.32Å; F446-E465 HydrophobicContact CE1-CB 3.96Å; F446-E465 HydrophobicContact CE2-CB 4.34Å; F446-E465 HydrophobicContact CZ-CB 3.94Å
447	V	84.6	Confident	66.1	Low	28 Å²	28	57.5 Å²	57.5	17%	0.17	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	162.5	172.5	-64.2	0	0	0	0	111.8	C463 R464 D466	V447-C463 CarbonylContact O-C 3.51Å; V447-C463 WeakPolarHBondContact O-CA 3.49Å; V447-R464 HydrophobicContact CG2-CG 3.9Å; V447-R464 PolarHBondContact N-O 2.96Å; V447-R464 PolarHBondContact O-N 2.76Å; V447-D466 HydrophobicContact CG1-CB 4.33Å; V447-D466 HydrophobicContact CG2-CB 4.34Å
448	H	85.8	Confident	66.6	Low	33 Å²	33	57.3 Å²	57.3	15%	0.153	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	142.8	174.3	172.8	-103.9	0	0	0	111.5	L434 D435 P450 T452 W462 W480	L434-H448 HydrophobicContact CB-CB 3.94Å; D435-H448 WeakPolarHBondContact OD1-CB 3.35Å; D435-H448 PolarHBondContact OD1-N 3.22Å; H448-P450 WeakPolarHBondContact O-CD 3.21Å; H448-T452 PolarHBondContact CE1-OG1 3.08Å; H448-T452 PolarHBondContact NE2-OG1 3.31Å; H448-W462 PolarHBondContact CD2-O 3.05Å; H448-W480 AromaticContact NE2-CZ2 3.83Å
449	C	85.9	Confident	67.2	Low	13 Å²	13	59.4 Å²	59.4	9%	0.088	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-67.8	118	177.9	-168.9	0	0	0	0	110.1	N451 T452 W462 C471	C449-N451 PolarHBondContact O-N 3.28Å; C449-T452 PolarHBondContact O-N 2.71Å; C449-T452 PolarHBondContact O-OG1 3.38Å; C449-W462 HydrophobicContact CB-CB 3.76Å; C449-W462 WeakPolarHBondContact CB-O 3.48Å; C449-W462 PolarHBondContact N-O 3.05Å; C449-C471 HydrophobicContact CB-CB 3.74Å; C449-C471 WeakPolarHBondContact CB-SG 3.05Å; C449-C471 WeakPolarHBondContact SG-CB 3.47Å; C449-C471 CovalentContact SG-SG 2.04Å; C449-C471 PolarHBondContact SG-SG 2.83Å
450	P	71.9	Confident	68.3	Low	84 Å²	84	57.9 Å²	57.9	55%	0.545	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.2	-170.9	26.2	-35.2	0	0	0	114.5	H448 R464	H448-P450 WeakPolarHBondContact O-CD 3.21Å; P450-R464 VanDerWaalsContact CD-NE 3.32Å
451	N	67.9	Low	69.6	Low	149 Å²	149	53.9 Å²	53.9	80%	0.797	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	35.6	-179.8	-68.1	-26.4	0	0	0	112.3	C449 S453	C449-N451 PolarHBondContact O-N 3.28Å; N451-S453 PolarHBondContact O-N 2.91Å
452	T	67.8	Low	71.3	Confident	24 Å²	24	55 Å²	55	15%	0.147	30%	0.3	C	S	.	.			trans	-53.5	132.9	170.7	-61.8	0	0	0	0	110.6	H448 C449 D456 W480	H448-T452 PolarHBondContact CE1-OG1 3.08Å; H448-T452 PolarHBondContact NE2-OG1 3.31Å; C449-T452 PolarHBondContact O-N 2.71Å; C449-T452 PolarHBondContact O-OG1 3.38Å; T452-D456 HydrophobicContact CG2-CB 3.67Å; T452-W480 HydrophobicContact CG2-CZ2 4.03Å
453	S	70.8	Confident	72.5	Confident	48 Å²	48	52.8 Å²	52.8	34%	0.336	29%	0.29	S	S	.	.			trans	-76.8	160.1	-168.8	90.4	0	0	0	0	113.2	N451 S455 D456 I457	N451-S453 PolarHBondContact O-N 2.91Å; S453-S455 PolarHBondContact O-N 3.27Å; S453-S455 VanDerWaalsContact O-N 3.08Å; S453-S455 PolarHBondContact OG-OG 2.86Å; S453-S455 VanDerWaalsContact OG-OG 3.11Å; S453-D456 VanDerWaalsContact CB-OD2 3.26Å; S453-D456 WeakPolarHBondContact CB-OD2 3.5Å; S453-D456 PolarHBondContact N-OD2 2.85Å; S453-D456 PolarHBondContact O-N 2.83Å; S453-D456 PolarHBondContact OG-OD1 3.41Å; S453-D456 PolarHBondContact OG-OD2 2.86Å; S453-I457 PolarHBondContact O-N 3.29Å
454	D	67.5	Low	74.4	Confident	110 Å²	110	54.7 Å²	54.7	59%	0.588	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.6	-174.3	-117.6	33.4	0	0	0	114.3	R487	D454-R487 PolarHBondContact O-NH2 3.5Å; D454-R487 IonicContact OD1-CZ 3.99Å; D454-R487 IonicContact OD1-NE 2.96Å; D454-R487 IonicContact OD1-NH1 2.69Å; D454-R487 PolarHBondContact OD1-NH1 2.99Å; D454-R487 IonicContact OD1-NH2 3.75Å; D454-R487 PolarHBondContact OD1-NH2 2.87Å; D454-R487 IonicContact OD2-CZ 3.98Å; D454-R487 IonicContact OD2-NH1 2.86Å; D454-R487 PolarHBondContact OD2-NH1 3.31Å; D454-R487 IonicContact OD2-NH2 2.97Å; D454-R487 PolarHBondContact OD2-NH2 3.05Å
455	S	67.1	Low	75.7	Confident	89 Å²	89	51.3 Å²	51.3	62%	0.622	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-15.6	176.7	48.2	0	0	0	0	114.6	S453 S459	S453-S455 PolarHBondContact O-N 3.27Å; S453-S455 VanDerWaalsContact O-N 3.08Å; S453-S455 PolarHBondContact OG-OG 2.86Å; S453-S455 VanDerWaalsContact OG-OG 3.11Å; S455-S459 PolarHBondContact O-OG 3.45Å
456	D	70.7	Confident	75.5	Confident	31 Å²	31	51.8 Å²	51.8	17%	0.166	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-10.1	-175.9	-54.3	-23	0	0	0	111.7	T452 S453 C458 S459 Q460 W462 W480	T452-D456 HydrophobicContact CG2-CB 3.67Å; S453-D456 VanDerWaalsContact CB-OD2 3.26Å; S453-D456 WeakPolarHBondContact CB-OD2 3.5Å; S453-D456 PolarHBondContact N-OD2 2.85Å; S453-D456 PolarHBondContact O-N 2.83Å; S453-D456 PolarHBondContact OG-OD1 3.41Å; S453-D456 PolarHBondContact OG-OD2 2.86Å; D456-C458 PolarHBondContact O-N 2.76Å; D456-S459 WeakPolarHBondContact CA-OG 3.35Å; D456-S459 PolarHBondContact O-N 2.04Å; D456-S459 PolarHBondContact O-OG 3.1Å; D456-Q460 HydrophobicContact CB-CB 4.22Å; D456-Q460 CarbonylContact O-C 3.56Å; D456-Q460 PolarHBondContact O-N 2.8Å; D456-W462 PolarHBondContact OD2-NE1 2.94Å; D456-W480 PolarHBondContact O-NE1 3.13Å
457	I	78.3	Confident	75.1	Confident	25 Å²	25	53.6 Å²	53.6	13%	0.128	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	120.5	180	-67.8	167.4	0	0	0	109.9	S453 S459 W480 C486 R487 C497	S453-I457 PolarHBondContact O-N 3.29Å; I457-S459 PolarHBondContact O-N 2.73Å; I457-W480 HydrophobicContact CB-CH2 4.17Å; I457-W480 HydrophobicContact CB-CZ2 4.2Å; I457-W480 HydrophobicContact CG1-CH2 3.92Å; I457-W480 HydrophobicContact CG1-CZ2 3.97Å; I457-W480 HydrophobicContact CG2-CE3 4.44Å; I457-W480 HydrophobicContact CG2-CH2 3.82Å; I457-W480 HydrophobicContact CG2-CZ2 4.29Å; I457-W480 HydrophobicContact CG2-CZ3 3.88Å; I457-C486 HydrophobicContact CG2-CB 3.74Å; I457-R487 HydrophobicContact CD1-CG 3.98Å; I457-C497 HydrophobicContact CG2-CB 4.27Å
458	C	72.3	Confident	74.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	-35.1	-168.5	-53.3	0	0	0	0	116.1	D456 T479 W480 C486 C492 G495 C497	D456-C458 PolarHBondContact O-N 2.76Å; C458-T479 CarbonylContact O-C 3.53Å; C458-T479 VanDerWaalsContact O-CA 3.25Å; C458-T479 WeakPolarHBondContact O-CA 3.18Å; C458-T479 WeakPolarHBondContact O-CB 3.21Å; C458-W480 VanDerWaalsContact N-CD2 3.28Å; C458-W480 PolarHBondContact O-N 2.7Å; C458-C486 VanDerWaalsContact SG-CB 3.59Å; C458-C492 VanDerWaalsContact CA-SG 3.51Å; C458-C492 HydrophobicContact CB-CB 3.6Å; C458-C492 WeakPolarHBondContact CB-SG 3.27Å; C458-C492 WeakPolarHBondContact SG-CA 3.37Å; C458-C492 WeakPolarHBondContact SG-CB 3.4Å; C458-C492 CovalentContact SG-SG 2.03Å; C458-C492 PolarHBondContact SG-SG 3.43Å; C458-G495 CarbonylContact C-O 3.49Å; C458-G495 VanDerWaalsContact C-O 3.23Å; C458-G495 CarbonylContact O-C 3.58Å; C458-G495 WeakPolarHBondContact O-CA 3.35Å; C458-C497 HydrophobicContact CB-CB 4.48Å; C458-C497 WeakPolarHBondContact SG-CA 3.48Å; C458-C497 VanDerWaalsContact SG-CB 3.58Å; C458-C497 PolarHBondContact SG-N 3.21Å; C458-C497 VanDerWaalsContact SG-N 3.45Å
459	S	71.5	Confident	73.6	Confident	43 Å²	43	56.4 Å²	56.4	30%	0.301	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-33.1	-179	52.1	0	0	0	0	112.9	S455 D456 I457 G495	S455-S459 PolarHBondContact O-OG 3.45Å; D456-S459 WeakPolarHBondContact CA-OG 3.35Å; D456-S459 PolarHBondContact O-N 2.04Å; D456-S459 PolarHBondContact O-OG 3.1Å; I457-S459 PolarHBondContact O-N 2.73Å; S459-G495 WeakPolarHBondContact CA-O 3.13Å; S459-G495 PolarHBondContact N-O 3.43Å; S459-G495 VanDerWaalsContact N-O 3.12Å
460	Q	77.4	Confident	73.2	Confident	36 Å²	36	63.9 Å²	63.9	17%	0.168	38%	0.379	C	S	.	.			trans	-148.2	116.9	-177.1	-162.3	158.5	-5.6	0	0	113.6	D456 T473 L478 W480	D456-Q460 HydrophobicContact CB-CB 4.22Å; D456-Q460 CarbonylContact O-C 3.56Å; D456-Q460 PolarHBondContact O-N 2.8Å; Q460-T473 WeakPolarHBondContact CG-OG1 3.45Å; Q460-T473 PolarHBondContact NE2-OG1 2.83Å; Q460-L478 CarbonylContact C-O 3.55Å; Q460-L478 VanDerWaalsContact CA-O 3.27Å; Q460-L478 WeakPolarHBondContact CA-O 3.2Å; Q460-W480 PolarHBondContact O-NE1 2.76Å; Q460-W480 VanDerWaalsContact O-NE1 3.11Å
461	L	72.9	Confident	73.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	37%	0.367	C	S	.	.			trans	-79.4	125.3	172.7	-165.4	72.5	0	0	0	109.7	L434 Q437 I441 T473 L478 W480	L434-L461 HydrophobicContact CD2-CD1 3.63Å; Q437-L461 HydrophobicContact CB-CD2 3.81Å; I441-L461 HydrophobicContact CD1-CD2 3.7Å; L461-T473 PolarHBondContact O-OG1 3.27Å; L461-L478 PolarHBondContact N-O 3.49Å; L461-W480 HydrophobicContact CD1-CG 4.11Å
462	W	82.9	Confident	73.9	Confident	74 Å²	74	56.9 Å²	56.9	28%	0.28	35%	0.346	S	S	.	.			trans	-117.4	129.6	175.9	-71.2	90.9	0	0	0	109.3	H448 C449 D456 C471 T473	H448-W462 PolarHBondContact CD2-O 3.05Å; C449-W462 HydrophobicContact CB-CB 3.76Å; C449-W462 WeakPolarHBondContact CB-O 3.48Å; C449-W462 PolarHBondContact N-O 3.05Å; D456-W462 PolarHBondContact OD2-NE1 2.94Å; W462-C471 HydrophobicContact CE3-CB 4.39Å; W462-T473 HydrophobicContact CD2-CG2 3.93Å; W462-T473 HydrophobicContact CE3-CG2 3.66Å; W462-T473 HydrophobicContact CH2-CG2 3.46Å; W462-T473 VanDerWaalsContact CH2-CG2 3.46Å; W462-T473 HydrophobicContact CZ2-CG2 3.72Å; W462-T473 HydrophobicContact CZ3-CG2 3.42Å; W462-T473 VanDerWaalsContact CZ3-CG2 3.42Å
463	C	81.6	Confident	73.8	Confident	0 Å²	0	57 Å²	57	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.4	-170.6	-53.3	0	0	0	0	110.5	C438 F442 F446 V447 C471 A472	C438-C463 WeakPolarHBondContact CA-SG 3.48Å; C438-C463 HydrophobicContact CB-CB 3.6Å; C438-C463 WeakPolarHBondContact CB-SG 3.07Å; C438-C463 VanDerWaalsContact SG-CA 3.55Å; C438-C463 WeakPolarHBondContact SG-CB 3.39Å; C438-C463 CovalentContact SG-SG 2.03Å; C438-C463 PolarHBondContact SG-SG 3.13Å; F442-C463 HydrophobicContact CD2-CB 3.59Å; F442-C463 WeakPolarHBondContact CD2-SG 3.13Å; F442-C463 HydrophobicContact CE2-CB 3.79Å; F442-C463 WeakPolarHBondContact CE2-SG 3.34Å; F442-C463 HydrophobicContact CG-CB 4.2Å; F446-C463 HydrophobicContact CD1-CB 4.46Å; V447-C463 CarbonylContact O-C 3.51Å; V447-C463 WeakPolarHBondContact O-CA 3.49Å; C463-C471 CarbonylContact O-C 3.54Å; C463-C471 WeakPolarHBondContact O-CA 3.32Å; C463-A472 PolarHBondContact N-O 2.88Å; C463-A472 PolarHBondContact O-N 2.84Å
464	R	87.4	Confident	73	Confident	60 Å²	60	59.9 Å²	59.9	23%	0.226	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145.9	178.1	64.4	-179.3	-174.6	127.7	6.2	110.6	F446 V447 P450 T468 Q470	F446-R464 CarbonylContact C-O 3.57Å; F446-R464 VanDerWaalsContact CA-O 3.24Å; F446-R464 WeakPolarHBondContact CA-O 3.4Å; V447-R464 HydrophobicContact CG2-CG 3.9Å; V447-R464 PolarHBondContact N-O 2.96Å; V447-R464 PolarHBondContact O-N 2.76Å; P450-R464 VanDerWaalsContact CD-NE 3.32Å; R464-T468 PolarHBondContact NH1-O 3.16Å; R464-Q470 VanDerWaalsContact CB-O 3.29Å; R464-Q470 WeakPolarHBondContact CB-O 3.22Å
465	E	82	Confident	71.9	Confident	95 Å²	95	62 Å²	62	44%	0.444	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	133.3	169.9	-177.5	179.8	-160.7	0	0	108.9	E445 F446 T468	E445-E465 HydrophobicContact CG-CG 4.12Å; E445-E465 CarbonylContact O-C 3.23Å; E445-E465 WeakPolarHBondContact O-CA 3.46Å; F446-E465 HydrophobicContact CD1-CB 4.37Å; F446-E465 VanDerWaalsContact CD1-N 3.32Å; F446-E465 HydrophobicContact CE1-CB 3.96Å; F446-E465 HydrophobicContact CE2-CB 4.34Å; F446-E465 HydrophobicContact CZ-CB 3.94Å; E465-T468 HydrophobicContact CB-CG2 3.73Å; E465-T468 HydrophobicContact CG-CG2 3.85Å; E465-T468 WeakPolarHBondContact O-CA 2.99Å; E465-T468 VanDerWaalsContact O-CB 3.3Å; E465-T468 WeakPolarHBondContact O-CB 3.44Å; E465-T468 WeakPolarHBondContact O-CG2 3.09Å; E465-T468 PolarHBondContact O-N 2.02Å; E465-T468 PolarHBondContact O-OG1 3.44Å
466	D	65.2	Low	70.8	Confident	108 Å²	108	59.9 Å²	59.9	58%	0.578	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	145.4	-174	-168.1	25.8	0	0	0	111.7	E445 V447 T468	E445-D466 PolarHBondContact O-N 3.36Å; V447-D466 HydrophobicContact CG1-CB 4.33Å; V447-D466 HydrophobicContact CG2-CB 4.34Å; D466-T468 PolarHBondContact O-N 3.43Å
467	G	66.6	Low	69.5	Low	76 Å²	76	62.1 Å²	62.1	78%	0.784	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	-11.8	-165.6	0	0	0	0	0	115.1
468	T	69	Low	68	Low	44 Å²	44	62.7 Å²	62.7	27%	0.27	38%	0.378	S	S	.	.			trans	-93.7	160.2	177.3	84.1	0	0	0	0	113.5	R464 E465 D466	R464-T468 PolarHBondContact NH1-O 3.16Å; E465-T468 HydrophobicContact CB-CG2 3.73Å; E465-T468 HydrophobicContact CG-CG2 3.85Å; E465-T468 WeakPolarHBondContact O-CA 2.99Å; E465-T468 VanDerWaalsContact O-CB 3.3Å; E465-T468 WeakPolarHBondContact O-CB 3.44Å; E465-T468 WeakPolarHBondContact O-CG2 3.09Å; E465-T468 PolarHBondContact O-N 2.02Å; E465-T468 PolarHBondContact O-OG1 3.44Å; D466-T468 PolarHBondContact O-N 3.43Å
469	G	68.1	Low	67.4	Low	76 Å²	76	65.1 Å²	65.1	78%	0.784	39%	0.393	S	S	*	.			trans	-102.8	0.7	-177.9	0	0	0	0	0	115.6
470	Q	78.6	Confident	67.4	Low	169 Å²	169	63.7 Å²	63.7	79%	0.79	38%	0.381	S	S	*	.			trans	-107.8	117.8	-175.3	-69.1	-174.4	-7.9	0	0	110.9	R464	R464-Q470 VanDerWaalsContact CB-O 3.29Å; R464-Q470 WeakPolarHBondContact CB-O 3.22Å
471	C	81.2	Confident	66.5	Low	43 Å²	43	63.2 Å²	63.2	29%	0.291	38%	0.383	S	S	.	.			trans	-91.2	136	173.7	-58.7	0	0	0	0	110.9	C449 W462 C463	C449-C471 HydrophobicContact CB-CB 3.74Å; C449-C471 WeakPolarHBondContact CB-SG 3.05Å; C449-C471 WeakPolarHBondContact SG-CB 3.47Å; C449-C471 CovalentContact SG-SG 2.04Å; C449-C471 PolarHBondContact SG-SG 2.83Å; W462-C471 HydrophobicContact CE3-CB 4.39Å; C463-C471 CarbonylContact O-C 3.54Å; C463-C471 WeakPolarHBondContact O-CA 3.32Å
472	A	73.9	Confident	65.8	Low	43 Å²	43	64.8 Å²	64.8	36%	0.355	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-122	160.5	179.7	0	0	0	0	0	111.4	C463	C463-A472 PolarHBondContact N-O 2.88Å; C463-A472 PolarHBondContact O-N 2.84Å
473	T	65	Low	64.8	Low	28 Å²	28	61.3 Å²	61.3	17%	0.172	38%	0.379	C	S	.	.			trans	-153.6	159.6	178.2	-171.1	0	0	0	0	108.2	Q460 L461 W462	Q460-T473 WeakPolarHBondContact CG-OG1 3.45Å; Q460-T473 PolarHBondContact NE2-OG1 2.83Å; L461-T473 PolarHBondContact O-OG1 3.27Å; W462-T473 HydrophobicContact CD2-CG2 3.93Å; W462-T473 HydrophobicContact CE3-CG2 3.66Å; W462-T473 HydrophobicContact CH2-CG2 3.46Å; W462-T473 VanDerWaalsContact CH2-CG2 3.46Å; W462-T473 HydrophobicContact CZ2-CG2 3.72Å; W462-T473 HydrophobicContact CZ3-CG2 3.42Å; W462-T473 VanDerWaalsContact CZ3-CG2 3.42Å
474	K	53.1	Low	64.5	Low	108 Å²	108	61.4 Å²	61.4	47%	0.47	38%	0.379	S	S	.	.	S	Bend	trans	-103.6	88.4	176.6	-59	176.4	-167.5	161	0	109.1	I441 F442 G476 S477 L478	I441-K474 PolarHBondContact O-NZ 2.87Å; F442-K474 HydrophobicContact CE1-CD 4.41Å; F442-K474 HydrophobicContact CE1-CG 4.08Å; F442-K474 HydrophobicContact CZ-CD 4.45Å; F442-K474 HydrophobicContact CZ-CG 4.04Å; K474-G476 PolarHBondContact O-N 3.1Å; K474-G476 VanDerWaalsContact O-N 3.11Å; K474-S477 PolarHBondContact O-N 3.08Å; K474-L478 HydrophobicContact CB-CD1 3.63Å; K474-L478 HydrophobicContact CB-CG 4.14Å; K474-L478 HydrophobicContact CD-CD1 4.05Å; K474-L478 HydrophobicContact CG-CD1 3.86Å
475	N	45.6	Very low	64	Low	153 Å²	153	62.7 Å²	62.7	82%	0.818	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	36.3	54	167.8	-69.6	3.4	0	0	0	117.1	S477	N475-S477 PolarHBondContact O-N 2.85Å; N475-S477 VanDerWaalsContact O-N 3.13Å; N475-S477 PolarHBondContact O-OG 3.09Å
476	G	42.8	Very low	64	Low	46 Å²	46	59 Å²	59	47%	0.474	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	11.2	166.2	0	0	0	0	0	116.6	K474	K474-G476 PolarHBondContact O-N 3.1Å; K474-G476 VanDerWaalsContact O-N 3.11Å
477	S	43.2	Very low	64.4	Low	78 Å²	78	59.6 Å²	59.6	55%	0.545	37%	0.374	S	S	.	.			trans	-110.6	-5.4	-179.9	-45.4	0	0	0	0	114.2	K474 N475	K474-S477 PolarHBondContact O-N 3.08Å; N475-S477 PolarHBondContact O-N 2.85Å; N475-S477 VanDerWaalsContact O-N 3.13Å; N475-S477 PolarHBondContact O-OG 3.09Å
478	L	48.7	Very low	64.4	Low	37 Å²	37	61.5 Å²	61.5	19%	0.194	38%	0.376	C	S	.	.			trans	-96.3	91.3	178.3	-70.1	176.2	0	0	0	110.3	I441 F442 Q460 L461 K474	I441-L478 HydrophobicContact CD1-CD2 4.29Å; I441-L478 HydrophobicContact CG2-CD1 3.62Å; I441-L478 HydrophobicContact CG2-CD2 3.98Å; I441-L478 HydrophobicContact CG2-CG 4.47Å; F442-L478 HydrophobicContact CE2-CD1 4.02Å; F442-L478 HydrophobicContact CZ-CD1 3.91Å; Q460-L478 CarbonylContact C-O 3.55Å; Q460-L478 VanDerWaalsContact CA-O 3.27Å; Q460-L478 WeakPolarHBondContact CA-O 3.2Å; L461-L478 PolarHBondContact N-O 3.49Å; K474-L478 HydrophobicContact CB-CD1 3.63Å; K474-L478 HydrophobicContact CB-CG 4.14Å; K474-L478 HydrophobicContact CD-CD1 4.05Å; K474-L478 HydrophobicContact CG-CD1 3.86Å
479	T	59	Low	64.3	Low	51 Å²	51	64.9 Å²	64.9	31%	0.313	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-69.7	162.8	168.6	52.4	0	0	0	0	111	C458 G495	C458-T479 CarbonylContact O-C 3.53Å; C458-T479 VanDerWaalsContact O-CA 3.25Å; C458-T479 WeakPolarHBondContact O-CA 3.18Å; C458-T479 WeakPolarHBondContact O-CB 3.21Å; T479-G495 VanDerWaalsContact CG2-CA 3.42Å
480	W	71.1	Confident	64.5	Low	13 Å²	13	61.5 Å²	61.5	5%	0.049	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-69.8	148.6	162.5	-52.2	6.2	0	0	0	107.7	L434 H448 T452 D456 I457 C458 Q460 L461 T484 C486 C492	L434-W480 HydrophobicContact CD1-CE3 4.03Å; L434-W480 HydrophobicContact CD1-CH2 3.69Å; L434-W480 HydrophobicContact CD1-CZ2 4.25Å; L434-W480 HydrophobicContact CD1-CZ3 3.59Å; L434-W480 HydrophobicContact CD2-CB 4.14Å; L434-W480 HydrophobicContact CD2-CD2 3.36Å; L434-W480 HydrophobicContact CD2-CE3 3.45Å; L434-W480 VanDerWaalsContact CD2-CE3 3.45Å; L434-W480 HydrophobicContact CD2-CG 3.7Å; L434-W480 HydrophobicContact CD2-CH2 4.29Å; L434-W480 HydrophobicContact CD2-CZ2 4.26Å; L434-W480 HydrophobicContact CD2-CZ3 3.92Å; L434-W480 HydrophobicContact CG-CE3 4.25Å; L434-W480 HydrophobicContact CG-CZ3 4.31Å; H448-W480 AromaticContact NE2-CZ2 3.83Å; T452-W480 HydrophobicContact CG2-CZ2 4.03Å; D456-W480 PolarHBondContact O-NE1 3.13Å; I457-W480 HydrophobicContact CB-CH2 4.17Å; I457-W480 HydrophobicContact CB-CZ2 4.2Å; I457-W480 HydrophobicContact CG1-CH2 3.92Å; I457-W480 HydrophobicContact CG1-CZ2 3.97Å; I457-W480 HydrophobicContact CG2-CE3 4.44Å; I457-W480 HydrophobicContact CG2-CH2 3.82Å; I457-W480 HydrophobicContact CG2-CZ2 4.29Å; I457-W480 HydrophobicContact CG2-CZ3 3.88Å; C458-W480 VanDerWaalsContact N-CD2 3.28Å; C458-W480 PolarHBondContact O-N 2.7Å; Q460-W480 PolarHBondContact O-NE1 2.76Å; Q460-W480 VanDerWaalsContact O-NE1 3.11Å; L461-W480 HydrophobicContact CD1-CG 4.11Å; W480-T484 HydrophobicContact CE3-CG2 4.19Å; W480-C486 HydrophobicContact CE3-CB 4.46Å; W480-C486 HydrophobicContact CZ3-CB 4.13Å; W480-C492 HydrophobicContact CB-CB 4.37Å
481	A	57.8	Low	64.4	Low	26 Å²	26	53.6 Å²	53.6	22%	0.215	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-63.8	146.4	-175	0	0	0	0	0	112.4	Q437 G483 T484	Q437-A481 HydrophobicContact CG-CB 4.16Å; A481-G483 PolarHBondContact O-N 3.05Å; A481-T484 PolarHBondContact N-OG1 3.08Å; A481-T484 WeakPolarHBondContact O-CB 3.03Å; A481-T484 PolarHBondContact O-N 3.45Å; A481-T484 PolarHBondContact O-OG1 3.27Å
482	D	58.3	Low	63.8	Low	33 Å²	33	51.6 Å²	51.6	18%	0.176	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	128.5	177.6	-82	13.8	0	0	0	110.1	G429 C492 L493 H494	G429-D482 WeakPolarHBondContact CA-O 3.33Å; G429-D482 PolarHBondContact N-O 2.98Å; D482-C492 WeakPolarHBondContact CA-O 3.44Å; D482-L493 HydrophobicContact CB-CD2 4.07Å; D482-L493 WeakPolarHBondContact OD1-CA 3.39Å; D482-L493 WeakPolarHBondContact OD2-CA 3.45Å; D482-H494 VanDerWaalsContact CG-N 3.25Å; D482-H494 PolarHBondContact OD1-N 3.27Å; D482-H494 IonicContact OD2-CD2 3.3Å; D482-H494 PolarHBondContact OD2-N 2.92Å
483	G	62	Low	63.2	Low	1 Å²	1	49.8 Å²	49.8	1%	0.01	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.3	-9.8	-165.1	0	0	0	0	0	115.8	G429 T430 A481 T491 C492	G429-G483 CarbonylContact C-O 3.56Å; G429-G483 VanDerWaalsContact C-O 3.23Å; G429-G483 CarbonylContact O-C 3.53Å; T430-G483 WeakPolarHBondContact CG2-O 3.36Å; T430-G483 PolarHBondContact N-O 2.8Å; A481-G483 PolarHBondContact O-N 3.05Å; G483-T491 VanDerWaalsContact O-CG2 3.25Å; G483-T491 WeakPolarHBondContact O-CG2 3.37Å; G483-C492 PolarHBondContact N-O 3.33Å
484	T	76.3	Confident	63	Low	1 Å²	1	54 Å²	54	1%	0.006	31%	0.309	C	S	.	.			trans	-74.6	128	-177	-51.9	0	0	0	0	113.2	G429 L434 Q437 W480 A481 C486 T491 C492	G429-T484 WeakPolarHBondContact O-CA 3.24Å; L434-T484 HydrophobicContact CD2-CG2 3.66Å; L434-T484 HydrophobicContact CG-CG2 3.81Å; Q437-T484 PolarHBondContact NE2-OG1 2.85Å; W480-T484 HydrophobicContact CE3-CG2 4.19Å; A481-T484 PolarHBondContact N-OG1 3.08Å; A481-T484 WeakPolarHBondContact O-CB 3.03Å; A481-T484 PolarHBondContact O-N 3.45Å; A481-T484 PolarHBondContact O-OG1 3.27Å; T484-C486 PolarHBondContact O-N 3.49Å; T484-T491 CarbonylContact O-C 3.56Å; T484-T491 VanDerWaalsContact O-CA 3.29Å; T484-T491 WeakPolarHBondContact O-CA 3.38Å; T484-T491 WeakPolarHBondContact O-CG2 3.38Å; T484-C492 PolarHBondContact O-N 2.9Å; T484-C492 PolarHBondContact O-SG 3.23Å
485	P	77.6	Confident	63.5	Low	87 Å²	87	49.4 Å²	49.4	57%	0.565	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.5	131.3	176.3	-26.3	35.3	0	0	0	113.2
486	C	82	Confident	64.8	Low	18 Å²	18	43.8 Å²	43.8	12%	0.122	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	-171.1	175.1	67.7	0	0	0	0	110.4	I457 C458 W480 T484 S488 G490 T491 C497	I457-C486 HydrophobicContact CG2-CB 3.74Å; C458-C486 VanDerWaalsContact SG-CB 3.59Å; W480-C486 HydrophobicContact CE3-CB 4.46Å; W480-C486 HydrophobicContact CZ3-CB 4.13Å; T484-C486 PolarHBondContact O-N 3.49Å; C486-S488 PolarHBondContact O-N 2.79Å; C486-G490 PolarHBondContact N-O 2.88Å; C486-T491 WeakPolarHBondContact SG-CA 3.05Å; C486-T491 PolarHBondContact SG-N 2.88Å; C486-C497 HydrophobicContact CB-CB 3.93Å; C486-C497 WeakPolarHBondContact CB-SG 3.24Å; C486-C497 WeakPolarHBondContact SG-CA 3.33Å; C486-C497 WeakPolarHBondContact SG-CB 3.4Å; C486-C497 CovalentContact SG-SG 2.03Å; C486-C497 PolarHBondContact SG-SG 3.38Å
487	R	73.6	Confident	66.6	Low	121 Å²	121	44 Å²	44	46%	0.457	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	136.3	-166.7	-78.9	-169	-74.4	171.2	-11.3	114	D454 I457 N489 G490	D454-R487 PolarHBondContact O-NH2 3.5Å; D454-R487 IonicContact OD1-CZ 3.99Å; D454-R487 IonicContact OD1-NE 2.96Å; D454-R487 IonicContact OD1-NH1 2.69Å; D454-R487 PolarHBondContact OD1-NH1 2.99Å; D454-R487 IonicContact OD1-NH2 3.75Å; D454-R487 PolarHBondContact OD1-NH2 2.87Å; D454-R487 IonicContact OD2-CZ 3.98Å; D454-R487 IonicContact OD2-NH1 2.86Å; D454-R487 PolarHBondContact OD2-NH1 3.31Å; D454-R487 IonicContact OD2-NH2 2.97Å; D454-R487 PolarHBondContact OD2-NH2 3.05Å; I457-R487 HydrophobicContact CD1-CG 3.98Å; R487-N489 PolarHBondContact O-N 2.89Å; R487-G490 PolarHBondContact O-N 3.43Å
488	S	64.6	Low	68.1	Low	116 Å²	116	44.5 Å²	44.5	81%	0.811	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	65.1	164.2	-57.6	0	0	0	0	115	C486	C486-S488 PolarHBondContact O-N 2.79Å
489	N	68.1	Low	69	Low	115 Å²	115	48.1 Å²	48.1	62%	0.615	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	36.5	178.3	-148.7	98.2	0	0	0	113.6	R487 Q500	R487-N489 PolarHBondContact O-N 2.89Å; N489-Q500 PolarHBondContact ND2-OE1 2.81Å; N489-Q500 VanDerWaalsContact O-CB 3.27Å; N489-Q500 WeakPolarHBondContact O-CB 3.29Å; N489-Q500 PolarHBondContact O-N 3.38Å
490	G	72.3	Confident	68.7	Low	4 Å²	4	49.8 Å²	49.8	4%	0.041	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	170.9	170.1	0	0	0	0	0	113.3	C486 R487 K498	C486-G490 PolarHBondContact N-O 2.88Å; R487-G490 PolarHBondContact O-N 3.43Å; G490-K498 CarbonylContact C-O 3.58Å; G490-K498 WeakPolarHBondContact CA-O 3.39Å
491	T	76.2	Confident	67.7	Low	4 Å²	4	58.1 Å²	58.1	3%	0.025	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	147.8	176.9	-69.1	0	0	0	0	110	G483 T484 C486 K498 Q503	G483-T491 VanDerWaalsContact O-CG2 3.25Å; G483-T491 WeakPolarHBondContact O-CG2 3.37Å; T484-T491 CarbonylContact O-C 3.56Å; T484-T491 VanDerWaalsContact O-CA 3.29Å; T484-T491 WeakPolarHBondContact O-CA 3.38Å; T484-T491 WeakPolarHBondContact O-CG2 3.38Å; C486-T491 WeakPolarHBondContact SG-CA 3.05Å; C486-T491 PolarHBondContact SG-N 2.88Å; T491-K498 PolarHBondContact N-O 3.34Å; T491-K498 PolarHBondContact O-N 3.01Å; T491-K498 VanDerWaalsContact O-O 3.12Å; T491-Q503 VanDerWaalsContact CB-CD 3.48Å; T491-Q503 VanDerWaalsContact CB-OE1 3.24Å; T491-Q503 HydrophobicContact CG2-CG 4.43Å; T491-Q503 VanDerWaalsContact CG2-NE2 3.29Å; T491-Q503 PolarHBondContact OG1-NE2 3.18Å; T491-Q503 PolarHBondContact OG1-OE1 2.98Å; T491-Q503 VanDerWaalsContact OG1-OE1 3.13Å
492	C	67.7	Low	67.3	Low	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	130.7	175.9	-54.6	0	0	0	0	111.4	C458 W480 D482 G483 T484	C458-C492 VanDerWaalsContact CA-SG 3.51Å; C458-C492 HydrophobicContact CB-CB 3.6Å; C458-C492 WeakPolarHBondContact CB-SG 3.27Å; C458-C492 WeakPolarHBondContact SG-CA 3.37Å; C458-C492 WeakPolarHBondContact SG-CB 3.4Å; C458-C492 CovalentContact SG-SG 2.03Å; C458-C492 PolarHBondContact SG-SG 3.43Å; W480-C492 HydrophobicContact CB-CB 4.37Å; D482-C492 WeakPolarHBondContact CA-O 3.44Å; G483-C492 PolarHBondContact N-O 3.33Å; T484-C492 PolarHBondContact O-N 2.9Å; T484-C492 PolarHBondContact O-SG 3.23Å
493	L	62.5	Low	66.7	Low	5 Å²	5	65.2 Å²	65.2	3%	0.026	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	130.4	166.6	-79.4	171.8	0	0	0	108.9	D482 G495 A496 K498 Q503	D482-L493 HydrophobicContact CB-CD2 4.07Å; D482-L493 WeakPolarHBondContact OD1-CA 3.39Å; D482-L493 WeakPolarHBondContact OD2-CA 3.45Å; L493-G495 VanDerWaalsContact C-N 3.26Å; L493-G495 PolarHBondContact O-N 2.62Å; L493-A496 PolarHBondContact N-O 3.18Å; L493-A496 PolarHBondContact O-N 2.87Å; L493-A496 VanDerWaalsContact O-N 3.11Å; L493-K498 HydrophobicContact CB-CG 3.91Å; L493-Q503 HydrophobicContact CD1-CB 4.46Å; L493-Q503 HydrophobicContact CD1-CG 4.27Å
494	H	61	Low	65.9	Low	118 Å²	118	71.5 Å²	71.5	55%	0.546	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	47.4	-172.6	-51.1	143.3	0	0	0	112.7	D482 A496 L506	D482-H494 VanDerWaalsContact CG-N 3.25Å; D482-H494 PolarHBondContact OD1-N 3.27Å; D482-H494 IonicContact OD2-CD2 3.3Å; D482-H494 PolarHBondContact OD2-N 2.92Å; H494-A496 VanDerWaalsContact C-N 3.27Å; H494-A496 PolarHBondContact O-N 2.96Å; H494-L506 VanDerWaalsContact CE1-CD1 3.44Å; H494-L506 WeakPolarHBondContact CE1-CD1 3.36Å
495	G	63.6	Low	64.3	Low	11 Å²	11	78.5 Å²	78.5	11%	0.113	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	15.9	178.6	0	0	0	0	0	115.9	C458 S459 T479 L493	C458-G495 CarbonylContact C-O 3.49Å; C458-G495 VanDerWaalsContact C-O 3.23Å; C458-G495 CarbonylContact O-C 3.58Å; C458-G495 WeakPolarHBondContact O-CA 3.35Å; S459-G495 WeakPolarHBondContact CA-O 3.13Å; S459-G495 PolarHBondContact N-O 3.43Å; S459-G495 VanDerWaalsContact N-O 3.12Å; T479-G495 VanDerWaalsContact CG2-CA 3.42Å; L493-G495 VanDerWaalsContact C-N 3.26Å; L493-G495 PolarHBondContact O-N 2.62Å
496	A	72.7	Confident	62.7	Low	35 Å²	35	77.5 Å²	77.5	29%	0.289	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	141.2	177.1	0	0	0	0	0	112	L493 H494 K498	L493-A496 PolarHBondContact N-O 3.18Å; L493-A496 PolarHBondContact O-N 2.87Å; L493-A496 VanDerWaalsContact O-N 3.11Å; H494-A496 VanDerWaalsContact C-N 3.27Å; H494-A496 PolarHBondContact O-N 2.96Å; A496-K498 HydrophobicContact CB-CD 4.43Å; A496-K498 PolarHBondContact O-N 3.43Å; A496-K498 VanDerWaalsContact O-N 3.13Å
497	C	79.9	Confident	61.1	Low	49 Å²	49	80.1 Å²	80.1	33%	0.331	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	107.4	177.1	-173.5	0	0	0	0	110.3	I457 C458 C486	I457-C497 HydrophobicContact CG2-CB 4.27Å; C458-C497 HydrophobicContact CB-CB 4.48Å; C458-C497 WeakPolarHBondContact SG-CA 3.48Å; C458-C497 VanDerWaalsContact SG-CB 3.58Å; C458-C497 PolarHBondContact SG-N 3.21Å; C458-C497 VanDerWaalsContact SG-N 3.45Å; C486-C497 HydrophobicContact CB-CB 3.93Å; C486-C497 WeakPolarHBondContact CB-SG 3.24Å; C486-C497 WeakPolarHBondContact SG-CA 3.33Å; C486-C497 WeakPolarHBondContact SG-CB 3.4Å; C486-C497 CovalentContact SG-SG 2.03Å; C486-C497 PolarHBondContact SG-SG 3.38Å
498	K	74.7	Confident	60.1	Low	90 Å²	90	83.1 Å²	83.1	39%	0.391	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.6	176.8	-52.5	-54.2	-175.6	-174.9	0	109.6	G490 T491 L493 A496 Q500	G490-K498 CarbonylContact C-O 3.58Å; G490-K498 WeakPolarHBondContact CA-O 3.39Å; T491-K498 PolarHBondContact N-O 3.34Å; T491-K498 PolarHBondContact O-N 3.01Å; T491-K498 VanDerWaalsContact O-O 3.12Å; L493-K498 HydrophobicContact CB-CG 3.91Å; A496-K498 HydrophobicContact CB-CD 4.43Å; A496-K498 PolarHBondContact O-N 3.43Å; A496-K498 VanDerWaalsContact O-N 3.13Å; K498-Q500 PolarHBondContact O-N 2.83Å
499	I	67.9	Low	59.8	Low	113 Å²	113	79.9 Å²	79.9	58%	0.579	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	136.1	173.5	-62.1	174.6	0	0	0	108.6	K501 Y502	I499-K501 PolarHBondContact O-N 3.41Å; I499-Y502 PolarHBondContact O-N 2.58Å
500	Q	52.2	Low	60	Low	85 Å²	85	75.8 Å²	75.8	40%	0.397	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-55.3	-14.3	-166.1	-176.6	146.8	70.8	0	0	115.7	N489 K498 Y502 Q503	N489-Q500 PolarHBondContact ND2-OE1 2.81Å; N489-Q500 VanDerWaalsContact O-CB 3.27Å; N489-Q500 WeakPolarHBondContact O-CB 3.29Å; N489-Q500 PolarHBondContact O-N 3.38Å; K498-Q500 PolarHBondContact O-N 2.83Å; Q500-Y502 PolarHBondContact O-N 3.21Å; Q500-Q503 VanDerWaalsContact CG-OE1 3.23Å; Q500-Q503 WeakPolarHBondContact O-CB 3.28Å; Q500-Q503 PolarHBondContact O-N 3.2Å
501	K	51.2	Low	60.2	Low	189 Å²	189	79.9 Å²	79.9	82%	0.822	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-62.2	-15.5	171.3	-148.3	176.6	-174.2	-177.6	0	114.4	I499	I499-K501 PolarHBondContact O-N 3.41Å
502	Y	49.4	Very low	60.4	Low	179 Å²	179	80.3 Å²	80.3	70%	0.702	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-103.4	-1.8	178.4	-69.4	-81.4	0	0	0	114.4	I499 Q500 I504	I499-Y502 PolarHBondContact O-N 2.58Å; Q500-Y502 PolarHBondContact O-N 3.21Å; Y502-I504 PolarHBondContact O-N 2.86Å
503	Q	45.7	Very low	61.1	Low	28 Å²	28	83.1 Å²	83.1	13%	0.131	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-2	-160.7	-166.6	176.2	-20	0	0	115.2	L427 T491 L493 Q500	L427-Q503 HydrophobicContact CD1-CG 4.31Å; T491-Q503 VanDerWaalsContact CB-CD 3.48Å; T491-Q503 VanDerWaalsContact CB-OE1 3.24Å; T491-Q503 HydrophobicContact CG2-CG 4.43Å; T491-Q503 VanDerWaalsContact CG2-NE2 3.29Å; T491-Q503 PolarHBondContact OG1-NE2 3.18Å; T491-Q503 PolarHBondContact OG1-OE1 2.98Å; T491-Q503 VanDerWaalsContact OG1-OE1 3.13Å; L493-Q503 HydrophobicContact CD1-CB 4.46Å; L493-Q503 HydrophobicContact CD1-CG 4.27Å; Q500-Q503 VanDerWaalsContact CG-OE1 3.23Å; Q500-Q503 WeakPolarHBondContact O-CB 3.28Å; Q500-Q503 PolarHBondContact O-N 3.2Å
504	I	44.6	Very low	62.3	Low	134 Å²	134	84.3 Å²	84.3	69%	0.687	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-10	-165.2	-64.7	174.2	0	0	0	113.3	Y502	Y502-I504 PolarHBondContact O-N 2.86Å
505	H	42.5	Very low	63.6	Low	147 Å²	147	80 Å²	80	68%	0.681	40%	0.401	S	S	*	.	S	Bend	trans	-110.7	-13.7	-160.7	-84.4	-76.8	0	0	0	118
506	L	45.4	Very low	64.9	Low	66 Å²	66	86.7 Å²	86.7	35%	0.346	43%	0.433	S	S	.	.	S	Bend	trans	-105.9	-28.2	-156	-108.1	164.5	0	0	0	118.3	H494 N545	H494-L506 VanDerWaalsContact CE1-CD1 3.44Å; H494-L506 WeakPolarHBondContact CE1-CD1 3.36Å; L506-N545 PolarHBondContact O-ND2 2.82Å
507	E	46.5	Very low	65.6	Low	73 Å²	73	88.6 Å²	88.6	34%	0.341	43%	0.433	S	S	.	.	S	Bend	trans	-106.9	-6.1	176.5	-64.8	174.8	-125	0	0	113.1	L427 P428	L427-E507 WeakPolarHBondContact CA-OE2 3.42Å; L427-E507 WeakPolarHBondContact CB-OE1 2.97Å; L427-E507 HydrophobicContact CD2-CB 3.64Å; L427-E507 VanDerWaalsContact CD2-CD 3.42Å; L427-E507 HydrophobicContact CD2-CG 3.96Å; L427-E507 WeakPolarHBondContact CD2-OE1 3.28Å; P428-E507 WeakPolarHBondContact CD-OE2 3.43Å
508	R	53.7	Low	66.1	Low	184 Å²	184	87.3 Å²	87.3	69%	0.694	43%	0.428	S	S	*	.	S	Bend	trans	-75.1	132.2	172.3	-175.2	174.8	-179.6	155.4	1.6	108.9	V510	R508-V510 WeakPolarHBondContact O-CG2 3.03Å; R508-V510 PolarHBondContact O-N 2.95Å; R508-V510 VanDerWaalsContact O-N 3.1Å
509	A	59.2	Low	66.9	Low	49 Å²	49	87.9 Å²	87.9	41%	0.405	44%	0.441	S	S	.	.			trans	-51.3	117.9	168.2	0	0	0	0	0	109.9	D511 N545	A509-D511 PolarHBondContact O-N 2.96Å; A509-N545 WeakPolarHBondContact CB-O 2.86Å
510	V	70.5	Confident	68.1	Low	29 Å²	29	86.4 Å²	86.4	18%	0.176	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-92.8	96.3	-177.8	-176	0	0	0	0	107.1	R508 G512 P541 P543 Q544 G547	R508-V510 WeakPolarHBondContact O-CG2 3.03Å; R508-V510 PolarHBondContact O-N 2.95Å; R508-V510 VanDerWaalsContact O-N 3.1Å; V510-G512 PolarHBondContact O-N 3Å; V510-P541 HydrophobicContact CG1-CB 4.16Å; V510-P541 HydrophobicContact CG1-CG 3.5Å; V510-P543 VanDerWaalsContact O-CA 3.31Å; V510-P543 WeakPolarHBondContact O-CA 3.32Å; V510-Q544 HydrophobicContact CB-CB 4.04Å; V510-Q544 HydrophobicContact CG2-CB 4.21Å; V510-Q544 PolarHBondContact N-O 3.03Å; V510-Q544 PolarHBondContact O-N 2.8Å; V510-Q544 VanDerWaalsContact O-N 3.08Å; V510-G547 WeakPolarHBondContact O-CA 3.35Å
511	D	76.3	Confident	69.9	Low	90 Å²	90	85.8 Å²	85.8	48%	0.481	43%	0.425	S	S	.	.			trans	-58.2	126.9	167.4	-71.9	-16.1	0	0	0	108.6	A509 K548	A509-D511 PolarHBondContact O-N 2.96Å; D511-K548 HydrophobicContact CB-CB 4.46Å; D511-K548 WeakPolarHBondContact OD1-CB 3.47Å; D511-K548 WeakPolarHBondContact OD1-CG 3.44Å; D511-K548 PolarHBondContact OD1-N 2.03Å
512	G	80.4	Confident	71.9	Confident	13 Å²	13	85.6 Å²	85.6	13%	0.134	43%	0.427	C	S	.	.			trans	-69	148.9	-179.9	0	0	0	0	0	111.7	V510 P541 K548 C550	V510-G512 PolarHBondContact O-N 3Å; G512-P541 VanDerWaalsContact CA-O 3.23Å; G512-P541 WeakPolarHBondContact CA-O 3.44Å; G512-K548 PolarHBondContact N-O 3.48Å; G512-C550 PolarHBondContact O-SG 2.97Å
513	S	83.9	Confident	74.1	Confident	59 Å²	59	78 Å²	78	41%	0.413	40%	0.401	S	S	.	.			trans	-124.8	153.7	171.1	152.3	0	0	0	0	111.3	T539 D540 P541 C550	S513-T539 PolarHBondContact O-N 3.04Å; S513-D540 CarbonylContact C-O 3.58Å; S513-D540 WeakPolarHBondContact CB-O 3.38Å; S513-D540 CarbonylContact O-C 3.54Å; S513-D540 PolarHBondContact O-N 2.84Å; S513-D540 PolarHBondContact OG-O 3.4Å; S513-P541 PolarHBondContact N-O 2.85Å; S513-C550 VanDerWaalsContact CA-SG 3.53Å; S513-C550 PolarHBondContact N-SG 3.46Å; S513-C550 VanDerWaalsContact N-SG 3.39Å; S513-C550 PolarHBondContact O-SG 3.26Å
514	W	87	Confident	76.4	Confident	29 Å²	29	78.7 Å²	78.7	11%	0.11	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-73.8	134.4	-174.5	-69.6	107	0	0	0	111.3	R536 E537 C538 Y549 C550 E551 R554	W514-R536 HydrophobicContact CB-CG 4.48Å; W514-R536 VanDerWaalsContact CB-CZ 3.49Å; W514-R536 HydrophobicContact CD2-CG 4.25Å; W514-R536 HydrophobicContact CE3-CG 3.79Å; W514-R536 HydrophobicContact CZ3-CG 4.46Å; W514-R536 WeakPolarHBondContact CZ3-O 3.32Å; W514-E537 WeakPolarHBondContact CA-O 3.23Å; W514-C538 HydrophobicContact CZ3-CB 4.43Å; W514-Y549 HydrophobicContact CH2-CE1 4.39Å; W514-C550 HydrophobicContact CD2-CB 3.69Å; W514-C550 HydrophobicContact CE3-CB 4.15Å; W514-C550 HydrophobicContact CG-CB 4.14Å; W514-C550 HydrophobicContact CH2-CB 4.02Å; W514-C550 HydrophobicContact CZ2-CB 3.56Å; W514-C550 WeakPolarHBondContact CZ2-O 3.34Å; W514-C550 HydrophobicContact CZ3-CB 4.3Å; W514-E551 PolarHBondContact NE1-O 3.08Å; W514-R554 HydrophobicContact CH2-CB 3.65Å; W514-R554 HydrophobicContact CZ2-CB 4.39Å; W514-R554 HydrophobicContact CZ3-CB 4.05Å
515	S	88.6	Confident	78.6	Confident	27 Å²	27	73.9 Å²	73.9	19%	0.189	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-56.1	164.8	165.6	76.7	0	0	0	0	111.9	R536 E537	S515-R536 WeakPolarHBondContact O-CD 3.33Å; S515-R536 WeakPolarHBondContact OG-CB 3.3Å; S515-E537 PolarHBondContact N-O 3.29Å; S515-E537 PolarHBondContact OG-N 2.83Å; S515-E537 VanDerWaalsContact OG-N 3.08Å
516	L	89.8	Confident	81	Confident	152 Å²	152	72.7 Å²	72.7	80%	0.796	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-52.7	151.7	159.2	-62.8	179.7	0	0	0	110.6	G518	L516-G518 PolarHBondContact O-N 2.91Å
517	W	89.1	Confident	83.1	Confident	75 Å²	75	71 Å²	71	28%	0.284	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-65.9	125.1	175.2	-71.9	104.4	0	0	0	110.9	S534 R536 Q553 R554 R556	W517-S534 VanDerWaalsContact CZ3-O 3.27Å; W517-S534 WeakPolarHBondContact CZ3-O 3.48Å; W517-R536 HydrophobicContact CD2-CB 4.39Å; W517-R536 HydrophobicContact CD2-CG 4.12Å; W517-R536 HydrophobicContact CE3-CB 4.02Å; W517-R536 HydrophobicContact CE3-CG 3.75Å; W517-R536 HydrophobicContact CH2-CG 4.07Å; W517-R536 HydrophobicContact CZ2-CG 4.41Å; W517-R536 HydrophobicContact CZ3-CB 4.4Å; W517-R536 HydrophobicContact CZ3-CG 3.72Å; W517-Q553 HydrophobicContact CH2-CB 4.12Å; W517-Q553 HydrophobicContact CZ2-CB 4.3Å; W517-R554 WeakPolarHBondContact CZ3-O 3.35Å; W517-R556 VanDerWaalsContact CB-CZ 3.5Å; W517-R556 VanDerWaalsContact CB-NH2 3.28Å; W517-R556 HydrophobicContact CD2-CG 4.05Å; W517-R556 HydrophobicContact CE3-CG 3.69Å; W517-R556 HydrophobicContact CH2-CB 3.86Å; W517-R556 HydrophobicContact CH2-CG 3.93Å; W517-R556 HydrophobicContact CZ2-CB 4.24Å; W517-R556 HydrophobicContact CZ2-CG 4.25Å; W517-R556 HydrophobicContact CZ3-CB 4.02Å; W517-R556 HydrophobicContact CZ3-CG 3.64Å
518	G	89	Confident	85	Confident	22 Å²	22	68 Å²	68	23%	0.227	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-63.5	165.8	172.3	0	0	0	0	0	112.6	L516 S534 Y535	L516-G518 PolarHBondContact O-N 2.91Å; G518-S534 PolarHBondContact O-OG 3.45Å; G518-Y535 PolarHBondContact N-O 3.32Å
519	P	92.9	Very high	86.7	Confident	103 Å²	103	59.2 Å²	59.2	67%	0.669	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-58.8	151.6	179.3	26.2	-35.1	0	0	0	111.7	Q521	P519-Q521 PolarHBondContact O-N 3.42Å; P519-Q521 PolarHBondContact O-NE2 2.96Å
520	W	91.5	Very high	88.4	Confident	81 Å²	81	56.9 Å²	56.9	31%	0.307	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-61.2	129	171.6	-66.1	106.2	0	0	0	109.9	E532 F533 S534 R556 Q558	W520-E532 HydrophobicContact CD2-CG 4.46Å; W520-E532 HydrophobicContact CE3-CB 4.48Å; W520-E532 HydrophobicContact CE3-CG 3.99Å; W520-F533 VanDerWaalsContact CE3-C 3.41Å; W520-S534 VanDerWaalsContact CE3-CB 3.44Å; W520-R556 HydrophobicContact CH2-CB 4.33Å; W520-R556 HydrophobicContact CH2-CG 3.61Å; W520-R556 HydrophobicContact CZ2-CG 4.26Å; W520-R556 HydrophobicContact CZ3-CG 4.05Å; W520-R556 WeakPolarHBondContact CZ3-O 3.45Å; W520-Q558 HydrophobicContact CD2-CG 4.18Å; W520-Q558 VanDerWaalsContact CE2-CD 3.45Å; W520-Q558 HydrophobicContact CE3-CG 3.95Å; W520-Q558 HydrophobicContact CH2-CB 3.91Å; W520-Q558 HydrophobicContact CH2-CG 3.65Å; W520-Q558 HydrophobicContact CZ2-CB 4.4Å; W520-Q558 HydrophobicContact CZ2-CG 3.89Å; W520-Q558 VanDerWaalsContact CZ2-OE1 3.24Å; W520-Q558 HydrophobicContact CZ3-CB 4.2Å; W520-Q558 HydrophobicContact CZ3-CG 3.69Å
521	Q	91.4	Very high	89.5	Confident	73 Å²	73	55.8 Å²	55.8	34%	0.341	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-76.1	166.4	176.7	-58.9	-54.5	-64.2	0	0	110.5	P519 C523 E532 F533	P519-Q521 PolarHBondContact O-N 3.42Å; P519-Q521 PolarHBondContact O-NE2 2.96Å; Q521-C523 PolarHBondContact O-N 3.17Å; Q521-E532 WeakPolarHBondContact O-CB 3.36Å; Q521-F533 HydrophobicContact CB-CD1 4.1Å; Q521-F533 HydrophobicContact CB-CE1 3.83Å; Q521-F533 HydrophobicContact CB-CE2 4.35Å; Q521-F533 HydrophobicContact CB-CG 4.47Å; Q521-F533 HydrophobicContact CB-CZ 3.97Å; Q521-F533 HydrophobicContact CG-CD1 4.48Å; Q521-F533 HydrophobicContact CG-CD2 4.11Å; Q521-F533 HydrophobicContact CG-CE1 4.13Å; Q521-F533 HydrophobicContact CG-CE2 3.74Å; Q521-F533 HydrophobicContact CG-CG 4.46Å; Q521-F533 HydrophobicContact CG-CZ 3.75Å; Q521-F533 WeakPolarHBondContact CG-O 3.43Å; Q521-F533 PolarHBondContact N-O 3.02Å
522	Q	93.3	Very high	90.3	Very high	184 Å²	184	53.2 Å²	53.2	86%	0.86	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-55.9	128.9	-177.9	-173.6	176	6.2	0	0	112.1	S524	Q522-S524 PolarHBondContact O-N 3.28Å
523	C	94.7	Very high	90.8	Very high	21 Å²	21	56.3 Å²	56.3	14%	0.142	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-54.2	132.9	176.1	-173.4	0	0	0	0	112.3	Q521 R525 E532 C560 N561	Q521-C523 PolarHBondContact O-N 3.17Å; C523-R525 PolarHBondContact O-N 3.44Å; C523-R525 PolarHBondContact SG-O 3.5Å; C523-E532 HydrophobicContact CB-CB 4.49Å; C523-C560 VanDerWaalsContact CA-SG 3.59Å; C523-C560 HydrophobicContact CB-CB 3.78Å; C523-C560 WeakPolarHBondContact CB-SG 3.4Å; C523-C560 WeakPolarHBondContact SG-CB 3.26Å; C523-C560 CovalentContact SG-SG 2.02Å; C523-C560 PolarHBondContact SG-SG 3.35Å; C523-N561 PolarHBondContact SG-ND2 3.47Å; C523-N561 VanDerWaalsContact SG-ND2 3.44Å
524	S	94.3	Very high	91	Very high	42 Å²	42	53.5 Å²	53.5	29%	0.294	28%	0.283	S	S	.	.	S	Bend	trans	-61.9	-16.6	-175.5	67.2	0	0	0	0	115.4	Q522 V531 D630	Q522-S524 PolarHBondContact O-N 3.28Å; S524-V531 WeakPolarHBondContact CB-O 3.31Å; S524-V531 PolarHBondContact N-O 3.46Å; S524-V531 PolarHBondContact OG-N 2.9Å; S524-V531 PolarHBondContact OG-O 3.27Å; S524-D630 WeakPolarHBondContact CB-O 3.49Å; S524-D630 PolarHBondContact OG-O 3.29Å
525	R	91.6	Very high	90.9	Very high	32 Å²	32	57.3 Å²	57.3	12%	0.121	30%	0.298	C	S	.	.			trans	-145.7	148.7	-177.4	-59.3	176.2	64.9	-145.5	-9.3	109.8	C523 C527 G528 G529 N561 F573	C523-R525 PolarHBondContact O-N 3.44Å; C523-R525 PolarHBondContact SG-O 3.5Å; R525-C527 PolarHBondContact NH2-O 2.89Å; R525-C527 VanDerWaalsContact NH2-O 3.09Å; R525-G528 PolarHBondContact NH1-O 2.88Å; R525-G529 WeakPolarHBondContact CD-O 3.45Å; R525-G529 PolarHBondContact NH1-O 3.04Å; R525-N561 PolarHBondContact O-ND2 3.07Å; R525-F573 HydrophobicContact CG-CD1 4.46Å; R525-F573 HydrophobicContact CG-CE1 3.75Å; R525-F573 HydrophobicContact CG-CE2 4.48Å; R525-F573 HydrophobicContact CG-CZ 3.77Å; R525-F573 VanDerWaalsContact NE-CD1 3.35Å
526	T	91.6	Very high	90.7	Very high	123 Å²	123	58.7 Å²	58.7	76%	0.755	30%	0.299	S	S	*	.	S	Bend	trans	-84.7	-8.8	176.9	47.6	0	0	0	0	114.2
527	C	90.3	Very high	90.4	Very high	30 Å²	30	54.8 Å²	54.8	20%	0.203	28%	0.277	C	S	.	.	S	Bend	trans	-166.2	168.6	178.9	58.5	0	0	0	0	111.6	R525 G529 N561 E563 C565	R525-C527 PolarHBondContact NH2-O 2.89Å; R525-C527 VanDerWaalsContact NH2-O 3.09Å; C527-G529 PolarHBondContact O-N 2.96Å; C527-N561 CarbonylContact C-O 3.49Å; C527-N561 VanDerWaalsContact C-O 3.22Å; C527-E563 WeakPolarHBondContact CA-OE1 3.49Å; C527-C565 HydrophobicContact CB-CB 3.92Å; C527-C565 WeakPolarHBondContact CB-SG 3.36Å; C527-C565 PolarHBondContact O-SG 2.9Å; C527-C565 VanDerWaalsContact SG-CA 3.52Å; C527-C565 WeakPolarHBondContact SG-CB 3.23Å; C527-C565 CovalentContact SG-SG 2.04Å; C527-C565 PolarHBondContact SG-SG 3.35Å
528	G	86.8	Confident	90.1	Very high	9 Å²	9	51.5 Å²	51.5	9%	0.093	27%	0.266	C	S	.	.	S	Bend	trans	75.5	17	165.6	0	0	0	0	0	115.6	R525 N561 E563 Q654	R525-G528 PolarHBondContact NH1-O 2.88Å; G528-N561 PolarHBondContact N-O 2.65Å; G528-N561 VanDerWaalsContact N-O 3.08Å; G528-E563 WeakPolarHBondContact CA-O 3Å; G528-E563 PolarHBondContact N-O 3.23Å; G528-Q654 PolarHBondContact O-NE2 3.22Å
529	G	89.7	Confident	89.8	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.01	28%	0.275	C	S	.	.	S	Bend	trans	95.5	81.1	-176.2	0	0	0	0	0	112.7	R525 C527 N561	R525-G529 WeakPolarHBondContact CD-O 3.45Å; R525-G529 PolarHBondContact NH1-O 3.04Å; C527-G529 PolarHBondContact O-N 2.96Å; G529-N561 WeakPolarHBondContact CA-O 3.45Å; G529-N561 PolarHBondContact N-O 2.03Å
530	G	93.4	Very high	89.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	176.2	164.9	0	0	0	0	0	112.6	S559 C560	G530-S559 WeakPolarHBondContact O-CA 3.42Å; G530-C560 CarbonylContact C-O 3.58Å; G530-C560 WeakPolarHBondContact CA-O 3.41Å; G530-C560 PolarHBondContact N-O 2.89Å; G530-C560 PolarHBondContact O-N 2.9Å; G530-C560 VanDerWaalsContact O-N 3.09Å
531	V	94.3	Very high	88.6	Confident	6 Å²	6	52.7 Å²	52.7	4%	0.036	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.5	174.6	178.4	0	0	0	0	108.8	S524 Y557 Q558 C560 D630 V643 I656	S524-V531 WeakPolarHBondContact CB-O 3.31Å; S524-V531 PolarHBondContact N-O 3.46Å; S524-V531 PolarHBondContact OG-N 2.9Å; S524-V531 PolarHBondContact OG-O 3.27Å; V531-Y557 HydrophobicContact CG1-CD1 4.04Å; V531-Q558 WeakPolarHBondContact CA-O 3.48Å; V531-C560 PolarHBondContact N-SG 3.02Å; V531-C560 VanDerWaalsContact N-SG 3.43Å; V531-D630 HydrophobicContact CB-CB 4.04Å; V531-D630 HydrophobicContact CG2-CB 4.46Å; V531-V643 HydrophobicContact CG1-CG1 4.4Å; V531-V643 HydrophobicContact CG1-CG2 4.39Å; V531-V643 HydrophobicContact CG2-CG2 4.29Å; V531-I656 HydrophobicContact CG1-CD1 4.08Å; V531-I656 HydrophobicContact CG2-CD1 3.92Å
532	E	93.3	Very high	87.7	Confident	36 Å²	36	52 Å²	52	17%	0.168	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	153.8	170.3	56.5	-171.4	-144.4	0	0	109.6	W520 Q521 C523 Y557 Q558 C560	W520-E532 HydrophobicContact CD2-CG 4.46Å; W520-E532 HydrophobicContact CE3-CB 4.48Å; W520-E532 HydrophobicContact CE3-CG 3.99Å; Q521-E532 WeakPolarHBondContact O-CB 3.36Å; C523-E532 HydrophobicContact CB-CB 4.49Å; E532-Y557 WeakPolarHBondContact O-CA 3.14Å; E532-Q558 HydrophobicContact CG-CG 3.67Å; E532-Q558 PolarHBondContact N-O 3.44Å; E532-Q558 PolarHBondContact O-N 2.74Å; E532-Q558 PolarHBondContact OE1-NE2 3.22Å; E532-C560 HydrophobicContact CG-CB 3.95Å; E532-C560 PolarHBondContact N-SG 3.48Å; E532-C560 VanDerWaalsContact N-SG 3.36Å; E532-C560 VanDerWaalsContact OE2-CB 3.28Å; E532-C560 WeakPolarHBondContact OE2-CB 3.49Å
533	F	90	Very high	86.9	Confident	78 Å²	78	43.8 Å²	43.8	34%	0.342	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	154.1	-177.2	70.7	-83.7	0	0	0	111.5	W520 Q521 Y535 V555 R556 Y557	W520-F533 VanDerWaalsContact CE3-C 3.41Å; Q521-F533 HydrophobicContact CB-CD1 4.1Å; Q521-F533 HydrophobicContact CB-CE1 3.83Å; Q521-F533 HydrophobicContact CB-CE2 4.35Å; Q521-F533 HydrophobicContact CB-CG 4.47Å; Q521-F533 HydrophobicContact CB-CZ 3.97Å; Q521-F533 HydrophobicContact CG-CD1 4.48Å; Q521-F533 HydrophobicContact CG-CD2 4.11Å; Q521-F533 HydrophobicContact CG-CE1 4.13Å; Q521-F533 HydrophobicContact CG-CE2 3.74Å; Q521-F533 HydrophobicContact CG-CG 4.46Å; Q521-F533 HydrophobicContact CG-CZ 3.75Å; Q521-F533 WeakPolarHBondContact CG-O 3.43Å; Q521-F533 PolarHBondContact N-O 3.02Å; F533-Y535 HydrophobicContact CE2-CD1 4.3Å; F533-V555 HydrophobicContact CB-CG1 3.99Å; F533-V555 HydrophobicContact CD2-CG1 4.14Å; F533-R556 VanDerWaalsContact CA-O 3.28Å; F533-R556 WeakPolarHBondContact CA-O 3.22Å; F533-Y557 HydrophobicContact CB-CD1 3.57Å; F533-Y557 HydrophobicContact CB-CE1 3.63Å; F533-Y557 HydrophobicContact CB-CG 4.49Å; F533-Y557 HydrophobicContact CG-CE1 4.43Å
534	S	88.5	Confident	85.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	131.1	176.7	158.1	0	0	0	0	106.1	W517 G518 W520 R556	W517-S534 VanDerWaalsContact CZ3-O 3.27Å; W517-S534 WeakPolarHBondContact CZ3-O 3.48Å; G518-S534 PolarHBondContact O-OG 3.45Å; W520-S534 VanDerWaalsContact CE3-CB 3.44Å; S534-R556 PolarHBondContact N-O 3.04Å; S534-R556 WeakPolarHBondContact O-CG 3.47Å; S534-R556 PolarHBondContact O-N 3.29Å; S534-R556 PolarHBondContact OG-NE 3.34Å; S534-R556 PolarHBondContact OG-NH2 2.6Å; S534-R556 VanDerWaalsContact OG-NH2 3.1Å
535	Y	84.8	Confident	83.8	Confident	109 Å²	109	50.4 Å²	50.4	43%	0.427	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	168.2	-178.9	69.9	-88.4	0	0	0	110.7	G518 F533 E537 R554	G518-Y535 PolarHBondContact N-O 3.32Å; F533-Y535 HydrophobicContact CE2-CD1 4.3Å; Y535-E537 HydrophobicContact CD2-CG 4.27Å; Y535-E537 HydrophobicContact CE2-CG 4.16Å; Y535-R554 WeakPolarHBondContact CA-O 3.41Å
536	R	85.6	Confident	82.2	Confident	55 Å²	55	52.8 Å²	52.8	21%	0.208	30%	0.298	C	S	.	.			trans	-145.1	154	173	57.3	-175.9	-174.1	147.2	9.2	109.4	W514 S515 W517 Q553 R554	W514-R536 HydrophobicContact CB-CG 4.48Å; W514-R536 VanDerWaalsContact CB-CZ 3.49Å; W514-R536 HydrophobicContact CD2-CG 4.25Å; W514-R536 HydrophobicContact CE3-CG 3.79Å; W514-R536 HydrophobicContact CZ3-CG 4.46Å; W514-R536 WeakPolarHBondContact CZ3-O 3.32Å; S515-R536 WeakPolarHBondContact O-CD 3.33Å; S515-R536 WeakPolarHBondContact OG-CB 3.3Å; W517-R536 HydrophobicContact CD2-CB 4.39Å; W517-R536 HydrophobicContact CD2-CG 4.12Å; W517-R536 HydrophobicContact CE3-CB 4.02Å; W517-R536 HydrophobicContact CE3-CG 3.75Å; W517-R536 HydrophobicContact CH2-CG 4.07Å; W517-R536 HydrophobicContact CZ2-CG 4.41Å; W517-R536 HydrophobicContact CZ3-CB 4.4Å; W517-R536 HydrophobicContact CZ3-CG 3.72Å; R536-Q553 VanDerWaalsContact CZ-O 3.3Å; R536-Q553 PolarHBondContact NE-O 3.38Å; R536-Q553 PolarHBondContact NH2-O 2.66Å; R536-R554 PolarHBondContact N-O 3.37Å; R536-R554 VanDerWaalsContact N-O 3.13Å
537	E	81.9	Confident	80.9	Confident	70 Å²	70	47.5 Å²	47.5	33%	0.327	27%	0.268	S	S	.	.			trans	-111.1	160.9	-175.3	-58.7	-149.5	108.5	0	0	111.7	K249 W514 S515 Y535 T539	K249-E537 IonicContact NZ-OE1 3.09Å; K249-E537 PolarHBondContact NZ-OE1 2.86Å; W514-E537 WeakPolarHBondContact CA-O 3.23Å; S515-E537 PolarHBondContact N-O 3.29Å; S515-E537 PolarHBondContact OG-N 2.83Å; S515-E537 VanDerWaalsContact OG-N 3.08Å; Y535-E537 HydrophobicContact CD2-CG 4.27Å; Y535-E537 HydrophobicContact CE2-CG 4.16Å; E537-T539 VanDerWaalsContact C-N 3.28Å; E537-T539 HydrophobicContact CB-CG2 3.78Å; E537-T539 PolarHBondContact O-N 3.4Å; E537-T539 VanDerWaalsContact O-N 3.12Å
538	C	84.1	Confident	80.1	Confident	7 Å²	7	52.3 Å²	52.3	5%	0.047	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-87	73	177.5	-169.8	0	0	0	0	109.5	W514 P543 Y549 C550	W514-C538 HydrophobicContact CZ3-CB 4.43Å; C538-P543 VanDerWaalsContact SG-CG 3.58Å; C538-Y549 HydrophobicContact CB-CD2 4.28Å; C538-Y549 HydrophobicContact CB-CE1 3.95Å; C538-Y549 HydrophobicContact CB-CE2 3.55Å; C538-Y549 WeakPolarHBondContact CB-OH 3.3Å; C538-C550 WeakPolarHBondContact CA-SG 3.47Å; C538-C550 HydrophobicContact CB-CB 3.74Å; C538-C550 WeakPolarHBondContact CB-SG 3.46Å; C538-C550 WeakPolarHBondContact SG-CB 3.37Å; C538-C550 PolarHBondContact SG-N 3.32Å; C538-C550 CovalentContact SG-SG 2.03Å; C538-C550 PolarHBondContact SG-SG 2.85Å
539	T	81.6	Confident	80	Confident	68 Å²	68	53.1 Å²	53.1	42%	0.417	29%	0.286	S	S	.	.			trans	-136.5	-1.9	-165.3	51.2	0	0	0	0	114.7	S513 E537 P541 V542	S513-T539 PolarHBondContact O-N 3.04Å; E537-T539 VanDerWaalsContact C-N 3.28Å; E537-T539 HydrophobicContact CB-CG2 3.78Å; E537-T539 PolarHBondContact O-N 3.4Å; E537-T539 VanDerWaalsContact O-N 3.12Å; T539-P541 VanDerWaalsContact C-CA 3.49Å; T539-P541 CarbonylContact C-O 3.54Å; T539-P541 CarbonylContact O-C 3.45Å; T539-P541 WeakPolarHBondContact O-CA 3.48Å; T539-V542 HydrophobicContact CG2-CG2 4.16Å; T539-V542 PolarHBondContact O-N 3.26Å
540	D	80.1	Confident	79.8	Confident	102 Å²	102	53.2 Å²	53.2	55%	0.545	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	69.4	-177.3	-168	15.5	0	0	0	111.9	S513	S513-D540 CarbonylContact C-O 3.58Å; S513-D540 WeakPolarHBondContact CB-O 3.38Å; S513-D540 CarbonylContact O-C 3.54Å; S513-D540 PolarHBondContact O-N 2.84Å; S513-D540 PolarHBondContact OG-O 3.4Å
541	P	79.1	Confident	79.5	Confident	60 Å²	60	58 Å²	58	39%	0.39	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	cis	-86.7	170.4	-3.8	36.4	-35.7	0	0	0	113	V510 G512 S513 T539	V510-P541 HydrophobicContact CG1-CB 4.16Å; V510-P541 HydrophobicContact CG1-CG 3.5Å; G512-P541 VanDerWaalsContact CA-O 3.23Å; G512-P541 WeakPolarHBondContact CA-O 3.44Å; S513-P541 PolarHBondContact N-O 2.85Å; T539-P541 VanDerWaalsContact C-CA 3.49Å; T539-P541 CarbonylContact C-O 3.54Å; T539-P541 CarbonylContact O-C 3.45Å; T539-P541 WeakPolarHBondContact O-CA 3.48Å
542	V	73.2	Confident	78.9	Confident	60 Å²	60	58.9 Å²	58.9	36%	0.364	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-65.7	141.8	165.3	-177.3	0	0	0	0	109.4	T539 Q544	T539-V542 HydrophobicContact CG2-CG2 4.16Å; T539-V542 PolarHBondContact O-N 3.26Å; V542-Q544 PolarHBondContact O-N 2.88Å
543	P	75.6	Confident	78.4	Confident	11 Å²	11	62.2 Å²	62.2	7%	0.071	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-59	131.4	172.2	-19.7	29	0	0	0	112.1	P246 V510 C538 Y549	P246-P543 HydrophobicContact CB-CB 4.42Å; P246-P543 HydrophobicContact CB-CG 4.28Å; V510-P543 VanDerWaalsContact O-CA 3.31Å; V510-P543 WeakPolarHBondContact O-CA 3.32Å; C538-P543 VanDerWaalsContact SG-CG 3.58Å; P543-Y549 HydrophobicContact CG-CD2 3.97Å
544	Q	63.8	Low	78.1	Confident	103 Å²	103	59.3 Å²	59.3	48%	0.481	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-136.8	156.3	178.6	-64.4	175.6	-12.3	0	0	111.2	V510 V542 G546 G547	V510-Q544 HydrophobicContact CB-CB 4.04Å; V510-Q544 HydrophobicContact CG2-CB 4.21Å; V510-Q544 PolarHBondContact N-O 3.03Å; V510-Q544 PolarHBondContact O-N 2.8Å; V510-Q544 VanDerWaalsContact O-N 3.08Å; V542-Q544 PolarHBondContact O-N 2.88Å; Q544-G546 VanDerWaalsContact C-N 3.33Å; Q544-G546 PolarHBondContact O-N 3.39Å; Q544-G547 PolarHBondContact O-N 3.31Å
545	N	59.8	Low	78	Confident	99 Å²	99	60.5 Å²	60.5	53%	0.529	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	44.6	172.2	-56.3	-13.7	0	0	0	113.7	L506 A509 G547	L506-N545 PolarHBondContact O-ND2 2.82Å; A509-N545 WeakPolarHBondContact CB-O 2.86Å; N545-G547 PolarHBondContact O-N 3.33Å
546	G	58.1	Low	78.1	Confident	81 Å²	81	59 Å²	59	84%	0.835	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	7.6	-178	0	0	0	0	0	115.2	Q544	Q544-G546 VanDerWaalsContact C-N 3.33Å; Q544-G546 PolarHBondContact O-N 3.39Å
547	G	64.3	Low	78.3	Confident	13 Å²	13	58.5 Å²	58.5	13%	0.134	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-62.7	153.7	172.8	0	0	0	0	0	113	V510 Q544 N545	V510-G547 WeakPolarHBondContact O-CA 3.35Å; Q544-G547 PolarHBondContact O-N 3.31Å; N545-G547 PolarHBondContact O-N 3.33Å
548	K	73.6	Confident	78.8	Confident	131 Å²	131	58.7 Å²	58.7	57%	0.57	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-67.8	144.2	-173	-63.9	177.5	-179	-174.9	0	112.3	D511 G512	D511-K548 HydrophobicContact CB-CB 4.46Å; D511-K548 WeakPolarHBondContact OD1-CB 3.47Å; D511-K548 WeakPolarHBondContact OD1-CG 3.44Å; D511-K548 PolarHBondContact OD1-N 2.03Å; G512-K548 PolarHBondContact N-O 3.48Å
549	Y	84.8	Confident	79.3	Confident	26 Å²	26	59.6 Å²	59.6	10%	0.102	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-69.9	146.6	165.2	-165	-89.6	0	0	0	110.8	P246 K249 W514 C538 P543 E551	P246-Y549 HydrophobicContact CB-CD2 4.44Å; K249-Y549 VanDerWaalsContact C-CE1 3.47Å; K249-Y549 VanDerWaalsContact CA-CZ 3.49Å; K249-Y549 WeakPolarHBondContact CA-OH 3.3Å; K249-Y549 WeakPolarHBondContact O-CE1 3.38Å; K249-Y549 VanDerWaalsContact O-CZ 3.28Å; K249-Y549 PolarHBondContact O-OH 3.16Å; W514-Y549 HydrophobicContact CH2-CE1 4.39Å; C538-Y549 HydrophobicContact CB-CD2 4.28Å; C538-Y549 HydrophobicContact CB-CE1 3.95Å; C538-Y549 HydrophobicContact CB-CE2 3.55Å; C538-Y549 WeakPolarHBondContact CB-OH 3.3Å; P543-Y549 HydrophobicContact CG-CD2 3.97Å; Y549-E551 PolarHBondContact O-N 3.12Å
550	C	86.3	Confident	79.9	Confident	3 Å²	3	57 Å²	57	2%	0.02	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-58.2	130.4	-173.5	-58.5	0	0	0	0	113.1	S205 G512 S513 W514 C538	S205-C550 WeakPolarHBondContact CB-O 3.44Å; S205-C550 PolarHBondContact OG-O 2.98Å; G512-C550 PolarHBondContact O-SG 2.97Å; S513-C550 VanDerWaalsContact CA-SG 3.53Å; S513-C550 PolarHBondContact N-SG 3.46Å; S513-C550 VanDerWaalsContact N-SG 3.39Å; S513-C550 PolarHBondContact O-SG 3.26Å; W514-C550 HydrophobicContact CD2-CB 3.69Å; W514-C550 HydrophobicContact CE3-CB 4.15Å; W514-C550 HydrophobicContact CG-CB 4.14Å; W514-C550 HydrophobicContact CH2-CB 4.02Å; W514-C550 HydrophobicContact CZ2-CB 3.56Å; W514-C550 WeakPolarHBondContact CZ2-O 3.34Å; W514-C550 HydrophobicContact CZ3-CB 4.3Å; C538-C550 WeakPolarHBondContact CA-SG 3.47Å; C538-C550 HydrophobicContact CB-CB 3.74Å; C538-C550 WeakPolarHBondContact CB-SG 3.46Å; C538-C550 WeakPolarHBondContact SG-CB 3.37Å; C538-C550 PolarHBondContact SG-N 3.32Å; C538-C550 CovalentContact SG-SG 2.03Å; C538-C550 PolarHBondContact SG-SG 2.85Å
551	E	86	Confident	80.6	Confident	101 Å²	101	55.2 Å²	55.2	47%	0.472	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-100.2	144.6	174.1	-64.7	178.9	-162.1	0	0	111.1	S205 W514 Y549	S205-E551 CarbonylContact O-C 3.54Å; S205-E551 VanDerWaalsContact O-CA 3.28Å; S205-E551 WeakPolarHBondContact O-CA 3.39Å; W514-E551 PolarHBondContact NE1-O 3.08Å; Y549-E551 PolarHBondContact O-N 3.12Å
552	G	83.3	Confident	81.2	Confident	23 Å²	23	55 Å²	55	24%	0.237	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	118.5	-177.6	-178.5	0	0	0	0	0	114.4	V204 S205 R554	V204-G552 CarbonylContact C-O 3.3Å; V204-G552 WeakPolarHBondContact CA-O 3.46Å; V204-G552 VanDerWaalsContact CG1-C 3.44Å; S205-G552 PolarHBondContact N-O 3.18Å; S205-G552 PolarHBondContact O-N 2.87Å; G552-R554 PolarHBondContact O-N 2.98Å
553	Q	82.1	Confident	82	Confident	106 Å²	106	56.6 Å²	56.6	50%	0.495	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	123.8	-177.9	-77.9	176.6	-25.2	0	0	111.5	F203 V204 W517 R536	F203-Q553 WeakPolarHBondContact O-CA 3.45Å; V204-Q553 HydrophobicContact CG2-CG 3.86Å; W517-Q553 HydrophobicContact CH2-CB 4.12Å; W517-Q553 HydrophobicContact CZ2-CB 4.3Å; R536-Q553 VanDerWaalsContact CZ-O 3.3Å; R536-Q553 PolarHBondContact NE-O 3.38Å; R536-Q553 PolarHBondContact NH2-O 2.66Å
554	R	83.4	Confident	82.4	Confident	17 Å²	17	61.8 Å²	61.8	6%	0.064	34%	0.337	C	S	.	.	S	Bend	trans	-94.1	-31.6	176.4	49.9	164.1	59.6	113.2	-9.7	112.9	F203 S205 K249 N250 D406 W514 W517 Y535 R536 G552	F203-R554 WeakPolarHBondContact O-CG 2.99Å; F203-R554 PolarHBondContact O-N 2.71Å; F203-R554 VanDerWaalsContact O-N 3.11Å; S205-R554 PolarHBondContact OG-NH2 3.22Å; K249-R554 PolarHBondContact O-NH2 3.26Å; K249-R554 VanDerWaalsContact O-NH2 3.13Å; N250-R554 PolarHBondContact OD1-NH2 2.86Å; D406-R554 IonicContact OD1-CZ 2.98Å; D406-R554 IonicContact OD1-NH1 3.99Å; D406-R554 PolarHBondContact OD1-NH1 2.93Å; W514-R554 HydrophobicContact CH2-CB 3.65Å; W514-R554 HydrophobicContact CZ2-CB 4.39Å; W514-R554 HydrophobicContact CZ3-CB 4.05Å; W517-R554 WeakPolarHBondContact CZ3-O 3.35Å; Y535-R554 WeakPolarHBondContact CA-O 3.41Å; R536-R554 PolarHBondContact N-O 3.37Å; R536-R554 VanDerWaalsContact N-O 3.13Å; G552-R554 PolarHBondContact O-N 2.98Å
555	V	85.6	Confident	83.4	Confident	25 Å²	25	59.1 Å²	59.1	15%	0.152	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140.6	176.9	-171.4	0	0	0	0	109	F533 Y557	F533-V555 HydrophobicContact CB-CG1 3.99Å; F533-V555 HydrophobicContact CD2-CG1 4.14Å; V555-Y557 HydrophobicContact CB-CE2 4.13Å; V555-Y557 HydrophobicContact CG1-CD2 4.43Å; V555-Y557 HydrophobicContact CG1-CE1 3.93Å; V555-Y557 HydrophobicContact CG1-CE2 3.75Å; V555-Y557 VanDerWaalsContact CG1-CZ 3.46Å; V555-Y557 WeakPolarHBondContact CG1-OH 3.44Å
556	R	87.7	Confident	84.4	Confident	79 Å²	79	61.9 Å²	61.9	30%	0.298	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	151.1	168.9	61.5	177.8	179.6	167.3	6	109.6	W517 W520 F533 S534	W517-R556 VanDerWaalsContact CB-CZ 3.5Å; W517-R556 VanDerWaalsContact CB-NH2 3.28Å; W517-R556 HydrophobicContact CD2-CG 4.05Å; W517-R556 HydrophobicContact CE3-CG 3.69Å; W517-R556 HydrophobicContact CH2-CB 3.86Å; W517-R556 HydrophobicContact CH2-CG 3.93Å; W517-R556 HydrophobicContact CZ2-CB 4.24Å; W517-R556 HydrophobicContact CZ2-CG 4.25Å; W517-R556 HydrophobicContact CZ3-CB 4.02Å; W517-R556 HydrophobicContact CZ3-CG 3.64Å; W520-R556 HydrophobicContact CH2-CB 4.33Å; W520-R556 HydrophobicContact CH2-CG 3.61Å; W520-R556 HydrophobicContact CZ2-CG 4.26Å; W520-R556 HydrophobicContact CZ3-CG 4.05Å; W520-R556 WeakPolarHBondContact CZ3-O 3.45Å; F533-R556 VanDerWaalsContact CA-O 3.28Å; F533-R556 WeakPolarHBondContact CA-O 3.22Å; S534-R556 PolarHBondContact N-O 3.04Å; S534-R556 WeakPolarHBondContact O-CG 3.47Å; S534-R556 PolarHBondContact O-N 3.29Å; S534-R556 PolarHBondContact OG-NE 3.34Å; S534-R556 PolarHBondContact OG-NH2 2.6Å; S534-R556 VanDerWaalsContact OG-NH2 3.1Å
557	Y	90.5	Very high	84.7	Confident	44 Å²	44	62.7 Å²	62.7	17%	0.173	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.9	-177.4	-57.3	-89	0	0	0	109.9	F203 V531 E532 F533 V555 V643 Q644	F203-Y557 HydrophobicContact CB-CE2 4.16Å; F203-Y557 HydrophobicContact CD1-CE2 4.1Å; F203-Y557 HydrophobicContact CD2-CD2 4.14Å; F203-Y557 AromaticContact CD2-CE2 3.5Å; F203-Y557 HydrophobicContact CD2-CE2 3.5Å; F203-Y557 VanDerWaalsContact CD2-CE2 3.5Å; F203-Y557 HydrophobicContact CE1-CE2 4.43Å; F203-Y557 HydrophobicContact CE2-CD2 4.4Å; F203-Y557 AromaticContact CE2-CE2 3.86Å; F203-Y557 HydrophobicContact CE2-CE2 3.86Å; F203-Y557 AromaticContact CG-CE2 3.63Å; F203-Y557 HydrophobicContact CG-CE2 3.63Å; F203-Y557 HydrophobicContact CZ-CE2 4.31Å; V531-Y557 HydrophobicContact CG1-CD1 4.04Å; E532-Y557 WeakPolarHBondContact O-CA 3.14Å; F533-Y557 HydrophobicContact CB-CD1 3.57Å; F533-Y557 HydrophobicContact CB-CE1 3.63Å; F533-Y557 HydrophobicContact CB-CG 4.49Å; F533-Y557 HydrophobicContact CG-CE1 4.43Å; V555-Y557 HydrophobicContact CB-CE2 4.13Å; V555-Y557 HydrophobicContact CG1-CD2 4.43Å; V555-Y557 HydrophobicContact CG1-CE1 3.93Å; V555-Y557 HydrophobicContact CG1-CE2 3.75Å; V555-Y557 VanDerWaalsContact CG1-CZ 3.46Å; V555-Y557 WeakPolarHBondContact CG1-OH 3.44Å; Y557-V643 HydrophobicContact CD1-CG1 3.37Å; Y557-V643 HydrophobicContact CD2-CG1 3.86Å; Y557-V643 HydrophobicContact CE1-CG1 3.61Å; Y557-V643 HydrophobicContact CE2-CG1 4.09Å; Y557-V643 HydrophobicContact CG-CG1 3.51Å; Y557-Q644 HydrophobicContact CE1-CG 3.94Å; Y557-Q644 VanDerWaalsContact OH-CG 3.23Å; Y557-Q644 WeakPolarHBondContact OH-CG 3.47Å
558	Q	92	Very high	84.3	Confident	74 Å²	74	64.4 Å²	64.4	35%	0.346	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.8	167.9	70	-175.8	11.5	0	0	111.2	W520 V531 E532	W520-Q558 HydrophobicContact CD2-CG 4.18Å; W520-Q558 VanDerWaalsContact CE2-CD 3.45Å; W520-Q558 HydrophobicContact CE3-CG 3.95Å; W520-Q558 HydrophobicContact CH2-CB 3.91Å; W520-Q558 HydrophobicContact CH2-CG 3.65Å; W520-Q558 HydrophobicContact CZ2-CB 4.4Å; W520-Q558 HydrophobicContact CZ2-CG 3.89Å; W520-Q558 VanDerWaalsContact CZ2-OE1 3.24Å; W520-Q558 HydrophobicContact CZ3-CB 4.2Å; W520-Q558 HydrophobicContact CZ3-CG 3.69Å; V531-Q558 WeakPolarHBondContact CA-O 3.48Å; E532-Q558 HydrophobicContact CG-CG 3.67Å; E532-Q558 PolarHBondContact N-O 3.44Å; E532-Q558 PolarHBondContact O-N 2.74Å; E532-Q558 PolarHBondContact OE1-NE2 3.22Å
559	S	94.6	Very high	83.6	Confident	25 Å²	25	64.8 Å²	64.8	18%	0.175	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	141.6	174.3	-60.6	0	0	0	0	110.6	G530 Q654 V655 I656	G530-S559 WeakPolarHBondContact O-CA 3.42Å; S559-Q654 WeakPolarHBondContact CB-O 3.4Å; S559-Q654 PolarHBondContact OG-O 3.33Å; S559-V655 WeakPolarHBondContact OG-CA 3.4Å; S559-I656 PolarHBondContact OG-N 3.25Å
560	C	95	Very high	82.6	Confident	13 Å²	13	64.2 Å²	64.2	9%	0.088	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	159.4	179.2	47.9	0	0	0	0	109	C523 G530 V531 E532 T562	C523-C560 VanDerWaalsContact CA-SG 3.59Å; C523-C560 HydrophobicContact CB-CB 3.78Å; C523-C560 WeakPolarHBondContact CB-SG 3.4Å; C523-C560 WeakPolarHBondContact SG-CB 3.26Å; C523-C560 CovalentContact SG-SG 2.02Å; C523-C560 PolarHBondContact SG-SG 3.35Å; G530-C560 CarbonylContact C-O 3.58Å; G530-C560 WeakPolarHBondContact CA-O 3.41Å; G530-C560 PolarHBondContact N-O 2.89Å; G530-C560 PolarHBondContact O-N 2.9Å; G530-C560 VanDerWaalsContact O-N 3.09Å; V531-C560 PolarHBondContact N-SG 3.02Å; V531-C560 VanDerWaalsContact N-SG 3.43Å; E532-C560 HydrophobicContact CG-CB 3.95Å; E532-C560 PolarHBondContact N-SG 3.48Å; E532-C560 VanDerWaalsContact N-SG 3.36Å; E532-C560 VanDerWaalsContact OE2-CB 3.28Å; E532-C560 WeakPolarHBondContact OE2-CB 3.49Å; C560-T562 PolarHBondContact O-N 3.1Å
561	N	94.2	Very high	82.2	Confident	65 Å²	65	66.9 Å²	66.9	35%	0.348	37%	0.37	S	S	.	.			trans	46.6	58.4	176.9	-56.4	-19.3	0	0	0	112.4	C523 R525 C527 G528 G529 E563	C523-N561 PolarHBondContact SG-ND2 3.47Å; C523-N561 VanDerWaalsContact SG-ND2 3.44Å; R525-N561 PolarHBondContact O-ND2 3.07Å; C527-N561 CarbonylContact C-O 3.49Å; C527-N561 VanDerWaalsContact C-O 3.22Å; G528-N561 PolarHBondContact N-O 2.65Å; G528-N561 VanDerWaalsContact N-O 3.08Å; G529-N561 WeakPolarHBondContact CA-O 3.45Å; G529-N561 PolarHBondContact N-O 2.03Å; N561-E563 VanDerWaalsContact C-CD 3.42Å; N561-E563 VanDerWaalsContact C-OE2 3.24Å; N561-E563 WeakPolarHBondContact CA-OE1 3.46Å; N561-E563 WeakPolarHBondContact CA-OE2 3.49Å; N561-E563 VanDerWaalsContact CB-OE1 3.29Å; N561-E563 WeakPolarHBondContact CB-OE1 3.42Å
562	T	91.4	Very high	82.2	Confident	57 Å²	57	64 Å²	64	35%	0.35	36%	0.361	S	S	.	.			trans	-88	-15.4	-170.3	51.7	0	0	0	0	113.9	C560 Q654 V655	C560-T562 PolarHBondContact O-N 3.1Å; T562-Q654 HydrophobicContact CG2-CB 4.25Å; T562-V655 HydrophobicContact CG2-CG2 4.47Å
563	E	89.6	Confident	82.4	Confident	92 Å²	92	65 Å²	65	43%	0.43	36%	0.359	S	S	.	.	S	Bend	trans	-54	143.7	171	63.9	-61.3	137.8	0	0	112.1	C527 G528 N561 C565	C527-E563 WeakPolarHBondContact CA-OE1 3.49Å; G528-E563 WeakPolarHBondContact CA-O 3Å; G528-E563 PolarHBondContact N-O 3.23Å; N561-E563 VanDerWaalsContact C-CD 3.42Å; N561-E563 VanDerWaalsContact C-OE2 3.24Å; N561-E563 WeakPolarHBondContact CA-OE1 3.46Å; N561-E563 WeakPolarHBondContact CA-OE2 3.49Å; N561-E563 VanDerWaalsContact CB-OE1 3.29Å; N561-E563 WeakPolarHBondContact CB-OE1 3.42Å; E563-C565 PolarHBondContact O-N 3.04Å
564	P	85.3	Confident	82.9	Confident	120 Å²	120	60.2 Å²	60.2	78%	0.779	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-59.1	136.6	177.3	-22.5	33.7	0	0	0	111.5
565	C	84.3	Confident	83.2	Confident	47 Å²	47	60.8 Å²	60.8	32%	0.318	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-59.9	141.1	168.2	-62.8	0	0	0	0	110.6	C527 E563	C527-C565 HydrophobicContact CB-CB 3.92Å; C527-C565 WeakPolarHBondContact CB-SG 3.36Å; C527-C565 PolarHBondContact O-SG 2.9Å; C527-C565 VanDerWaalsContact SG-CA 3.52Å; C527-C565 WeakPolarHBondContact SG-CB 3.23Å; C527-C565 CovalentContact SG-SG 2.04Å; C527-C565 PolarHBondContact SG-SG 3.35Å; E563-C565 PolarHBondContact O-N 3.04Å
566	D	81.5	Confident	83.4	Confident	157 Å²	157	63.4 Å²	63.4	84%	0.84	35%	0.35	S	S	*	.	S	Bend	trans	-52.5	154.9	164.5	-76.7	-47.2	0	0	0	111	S568	D566-S568 PolarHBondContact O-N 3.44Å
567	A	62.8	Low	83.7	Confident	99 Å²	99	60.4 Å²	60.4	82%	0.818	34%	0.34	S	S	*	.			trans	-54.8	89.9	-156	0	0	0	0	0	115.5
568	S	56.2	Low	83.9	Confident	48 Å²	48	58.3 Å²	58.3	34%	0.336	33%	0.332	S	S	.	.			trans	-56.4	155.2	157.8	75.6	0	0	0	0	109.6	D566 G570 K571	D566-S568 PolarHBondContact O-N 3.44Å; S568-G570 PolarHBondContact O-N 3.3Å; S568-K571 PolarHBondContact OG-O 3.12Å
569	E	58.3	Low	83.9	Confident	139 Å²	139	57.9 Å²	57.9	65%	0.65	33%	0.33	S	S	*	.	S	Bend	trans	-69.8	41.6	-176.3	-54.8	-179.9	126.3	0	0	113.3	K571 L746	E569-K571 HydrophobicContact CB-CG 4.33Å; E569-K571 PolarHBondContact O-N 2.94Å; E569-K571 VanDerWaalsContact O-N 3.17Å; E569-K571 WeakPolarHBondContact OE2-CE 2.99Å; E569-K571 IonicContact OE2-NZ 3.19Å; E569-K571 PolarHBondContact OE2-NZ 3.43Å; E569-L746 WeakPolarHBondContact O-CD2 3.43Å
570	G	65.5	Low	83.8	Confident	15 Å²	15	63.7 Å²	63.7	16%	0.155	35%	0.352	C	S	.	.	S	Bend	trans	72.3	-5.7	-168.8	0	0	0	0	0	114.6	S568 G747	S568-G570 PolarHBondContact O-N 3.3Å; G570-G747 PolarHBondContact O-N 3.34Å
571	K	77.9	Confident	83.6	Confident	59 Å²	59	64.8 Å²	64.8	26%	0.257	35%	0.354	S	S	.	.			trans	-71	150.5	-179.1	-60.5	-178.9	-176.4	175.4	0	112.6	S568 E569 E579	S568-K571 PolarHBondContact OG-O 3.12Å; E569-K571 HydrophobicContact CB-CG 4.33Å; E569-K571 PolarHBondContact O-N 2.94Å; E569-K571 VanDerWaalsContact O-N 3.17Å; E569-K571 WeakPolarHBondContact OE2-CE 2.99Å; E569-K571 IonicContact OE2-NZ 3.19Å; E569-K571 PolarHBondContact OE2-NZ 3.43Å; K571-E579 WeakPolarHBondContact CE-OE1 3.4Å; K571-E579 IonicContact NZ-OE1 3.13Å; K571-E579 PolarHBondContact NZ-OE1 3.43Å; K571-E579 VanDerWaalsContact NZ-OE1 3.17Å; K571-E579 IonicContact NZ-OE2 3.53Å; K571-E579 PolarHBondContact NZ-OE2 3.5Å
572	S	84.4	Confident	83.6	Confident	40 Å²	40	64.2 Å²	64.2	28%	0.28	35%	0.351	S	S	.	.			trans	-96.7	153.1	169.2	67	0	0	0	0	112.3	R574 E575 E576	S572-R574 PolarHBondContact O-N 3.24Å; S572-E575 VanDerWaalsContact CB-OE2 3.32Å; S572-E575 WeakPolarHBondContact CB-OE2 3.38Å; S572-E575 PolarHBondContact N-OE2 3.41Å; S572-E575 WeakPolarHBondContact O-CA 3.05Å; S572-E575 WeakPolarHBondContact O-CB 3.46Å; S572-E575 PolarHBondContact O-N 3.38Å; S572-E575 PolarHBondContact OG-OE2 3.02Å; S572-E576 PolarHBondContact O-N 3.27Å
573	F	89	Confident	83.4	Confident	45 Å²	45	63.1 Å²	63.1	20%	0.197	35%	0.346	C	S	.	.	H	α-helix	trans	-58.2	-19.9	179.4	-172.4	-121.5	0	0	0	114.4	R525 E576 Q577 I629 T632	R525-F573 HydrophobicContact CG-CD1 4.46Å; R525-F573 HydrophobicContact CG-CE1 3.75Å; R525-F573 HydrophobicContact CG-CE2 4.48Å; R525-F573 HydrophobicContact CG-CZ 3.77Å; R525-F573 VanDerWaalsContact NE-CD1 3.35Å; F573-E576 WeakPolarHBondContact CD2-OE2 3.42Å; F573-Q577 WeakPolarHBondContact O-CG 3.48Å; F573-Q577 PolarHBondContact O-N 2.96Å; F573-Q577 PolarHBondContact O-NE2 2.68Å; F573-I629 HydrophobicContact CE1-CB 3.82Å; F573-I629 HydrophobicContact CE1-CD1 4.43Å; F573-I629 HydrophobicContact CE1-CG2 3.82Å; F573-I629 HydrophobicContact CZ-CB 4.06Å; F573-I629 HydrophobicContact CZ-CD1 3.9Å; F573-I629 HydrophobicContact CZ-CG2 3.89Å; F573-T632 VanDerWaalsContact CD1-OG1 3.27Å; F573-T632 WeakPolarHBondContact CD1-OG1 3.22Å; F573-T632 WeakPolarHBondContact CE1-OG1 3.49Å
574	R	91.5	Very high	83.2	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.015	36%	0.355	C	S	.	.	H	α-helix	trans	-82.4	-29.5	172.1	-162.7	179.9	-73.1	-149	-4.4	112.8	S572 Q577 C578 P598 R608 L611 T632 T633 C642	S572-R574 PolarHBondContact O-N 3.24Å; R574-Q577 PolarHBondContact O-N 3.4Å; R574-C578 PolarHBondContact O-N 3.16Å; R574-C578 VanDerWaalsContact O-N 3.12Å; R574-P598 HydrophobicContact CB-CG 4.11Å; R574-P598 HydrophobicContact CG-CB 4.17Å; R574-P598 HydrophobicContact CG-CG 3.93Å; R574-R608 VanDerWaalsContact CZ-O 3.28Å; R574-R608 PolarHBondContact NH1-O 2.93Å; R574-R608 PolarHBondContact NH2-O 3.42Å; R574-L611 HydrophobicContact CG-CD1 4.16Å; R574-T632 HydrophobicContact CB-CG2 3.83Å; R574-T632 HydrophobicContact CG-CG2 4.17Å; R574-T633 PolarHBondContact NH2-O 2.83Å; R574-C642 PolarHBondContact NH2-SG 3.01Å; R574-C642 VanDerWaalsContact NH2-SG 3.44Å
575	E	89.6	Confident	83.1	Confident	30 Å²	30	64.2 Å²	64.2	14%	0.14	35%	0.353	C	S	.	.	H	α-helix	trans	-65.4	-46.1	170.6	-75.1	159.5	123.1	0	0	110.4	S572 Q577 C578 E579 P598 P744	S572-E575 VanDerWaalsContact CB-OE2 3.32Å; S572-E575 WeakPolarHBondContact CB-OE2 3.38Å; S572-E575 PolarHBondContact N-OE2 3.41Å; S572-E575 WeakPolarHBondContact O-CA 3.05Å; S572-E575 WeakPolarHBondContact O-CB 3.46Å; S572-E575 PolarHBondContact O-N 3.38Å; S572-E575 PolarHBondContact OG-OE2 3.02Å; E575-Q577 VanDerWaalsContact C-N 3.28Å; E575-Q577 PolarHBondContact O-N 3.36Å; E575-C578 CarbonylContact O-C 3.54Å; E575-C578 WeakPolarHBondContact O-CA 3.45Å; E575-C578 PolarHBondContact O-N 3.09Å; E575-E579 WeakPolarHBondContact O-CG 3.08Å; E575-E579 PolarHBondContact O-N 2.98Å; E575-P598 HydrophobicContact CB-CG 4.38Å; E575-P598 HydrophobicContact CG-CG 3.68Å; E575-P744 VanDerWaalsContact OE1-CB 3.3Å; E575-P744 WeakPolarHBondContact OE1-CB 3.41Å
576	E	90.6	Very high	83.1	Confident	79 Å²	79	65.1 Å²	65.1	37%	0.369	35%	0.35	S	S	.	.	H	α-helix	trans	-54.8	-42.8	174.2	-66.3	156.9	-138.6	0	0	112.1	S572 F573 C578 E579 K580	S572-E576 PolarHBondContact O-N 3.27Å; F573-E576 WeakPolarHBondContact CD2-OE2 3.42Å; E576-C578 PolarHBondContact O-N 3.27Å; E576-E579 PolarHBondContact O-N 3.03Å; E576-K580 PolarHBondContact O-N 3.11Å
577	Q	94.1	Very high	83.3	Confident	17 Å²	17	61.6 Å²	61.6	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-64	-34.7	174.2	-77.3	168.4	83.4	0	0	113.3	F573 R574 E575 Y581 L611 I629 T632	F573-Q577 WeakPolarHBondContact O-CG 3.48Å; F573-Q577 PolarHBondContact O-N 2.96Å; F573-Q577 PolarHBondContact O-NE2 2.68Å; R574-Q577 PolarHBondContact O-N 3.4Å; E575-Q577 VanDerWaalsContact C-N 3.28Å; E575-Q577 PolarHBondContact O-N 3.36Å; Q577-Y581 WeakPolarHBondContact O-CD2 3.37Å; Q577-Y581 WeakPolarHBondContact O-CE2 3.18Å; Q577-L611 HydrophobicContact CB-CD1 3.81Å; Q577-L611 HydrophobicContact CB-CD2 4.13Å; Q577-I629 HydrophobicContact CG-CD1 4.11Å; Q577-T632 PolarHBondContact NE2-OG1 2.65Å
578	C	93.4	Very high	84	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-74.6	-40.4	172.4	-73.2	0	0	0	0	112.5	R574 E575 E576 K580 Y581 W596 C613	R574-C578 PolarHBondContact O-N 3.16Å; R574-C578 VanDerWaalsContact O-N 3.12Å; E575-C578 CarbonylContact O-C 3.54Å; E575-C578 WeakPolarHBondContact O-CA 3.45Å; E575-C578 PolarHBondContact O-N 3.09Å; E576-C578 PolarHBondContact O-N 3.27Å; C578-K580 PolarHBondContact O-N 2.88Å; C578-Y581 PolarHBondContact O-N 3.35Å; C578-W596 HydrophobicContact CB-CB 4.22Å; C578-W596 WeakPolarHBondContact CB-O 3.48Å; C578-C613 WeakPolarHBondContact CA-SG 3.45Å; C578-C613 HydrophobicContact CB-CB 3.9Å; C578-C613 WeakPolarHBondContact CB-SG 3.33Å; C578-C613 WeakPolarHBondContact SG-CB 3.39Å; C578-C613 CovalentContact SG-SG 2.04Å; C578-C613 PolarHBondContact SG-SG 3.44Å
579	E	92.7	Very high	84.9	Confident	64 Å²	64	68.2 Å²	68.2	30%	0.299	33%	0.334	S	S	.	.	H	α-helix	trans	-61.6	-27.1	-178.2	-74	-171.8	156.5	0	0	112.5	K571 E575 E576 Y581 N582	K571-E579 WeakPolarHBondContact CE-OE1 3.4Å; K571-E579 IonicContact NZ-OE1 3.13Å; K571-E579 PolarHBondContact NZ-OE1 3.43Å; K571-E579 VanDerWaalsContact NZ-OE1 3.17Å; K571-E579 IonicContact NZ-OE2 3.53Å; K571-E579 PolarHBondContact NZ-OE2 3.5Å; E575-E579 WeakPolarHBondContact O-CG 3.08Å; E575-E579 PolarHBondContact O-N 2.98Å; E576-E579 PolarHBondContact O-N 3.03Å; E579-Y581 PolarHBondContact O-N 3.08Å; E579-N582 WeakPolarHBondContact CA-ND2 3.32Å; E579-N582 VanDerWaalsContact O-CB 3.22Å; E579-N582 WeakPolarHBondContact O-CB 3.42Å; E579-N582 VanDerWaalsContact O-CG 3.28Å; E579-N582 PolarHBondContact O-N 2.9Å; E579-N582 PolarHBondContact O-ND2 3.5Å
580	K	92.5	Very high	85.9	Confident	148 Å²	148	68 Å²	68	64%	0.643	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-25.7	169.4	-175.7	-174.4	169.6	-154.8	0	114	E576 C578	E576-K580 PolarHBondContact O-N 3.11Å; C578-K580 PolarHBondContact O-N 2.88Å
581	Y	91.8	Very high	86.5	Confident	35 Å²	35	69.5 Å²	69.5	14%	0.137	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	8	-179.2	-54.9	-90.4	0	0	0	113.4	Q577 C578 E579 S583 Y586 W596 L611 F624 E625	Q577-Y581 WeakPolarHBondContact O-CD2 3.37Å; Q577-Y581 WeakPolarHBondContact O-CE2 3.18Å; C578-Y581 PolarHBondContact O-N 3.35Å; E579-Y581 PolarHBondContact O-N 3.08Å; Y581-S583 PolarHBondContact O-N 3Å; Y581-Y586 WeakPolarHBondContact O-CD2 3.4Å; Y581-W596 VanDerWaalsContact O-CD1 3.31Å; Y581-W596 PolarHBondContact O-NE1 3.02Å; Y581-L611 HydrophobicContact CE2-CD2 3.78Å; Y581-F624 HydrophobicContact CD1-CB 4.23Å; Y581-F624 AromaticContact CD1-CD1 3.28Å; Y581-F624 HydrophobicContact CD1-CD1 3.28Å; Y581-F624 AromaticContact CD1-CE1 3.69Å; Y581-F624 HydrophobicContact CD1-CE1 3.69Å; Y581-F624 AromaticContact CD1-CG 3.85Å; Y581-F624 HydrophobicContact CD1-CG 3.85Å; Y581-F624 HydrophobicContact CD2-CB 4.07Å; Y581-F624 HydrophobicContact CD2-CD1 4.19Å; Y581-F624 HydrophobicContact CD2-CD2 4.23Å; Y581-F624 AromaticContact CD2-CG 3.92Å; Y581-F624 HydrophobicContact CD2-CG 3.92Å; Y581-F624 HydrophobicContact CE1-CB 4.07Å; Y581-F624 AromaticContact CE1-CD1 3.82Å; Y581-F624 HydrophobicContact CE1-CD1 3.82Å; Y581-F624 HydrophobicContact CE1-CG 4.2Å; Y581-F624 HydrophobicContact CE2-CB 3.95Å; Y581-F624 HydrophobicContact CE2-CG 4.3Å; Y581-F624 HydrophobicContact CG-CB 4.25Å; Y581-F624 AromaticContact CG-CD1 3.52Å; Y581-F624 HydrophobicContact CG-CD1 3.52Å; Y581-F624 HydrophobicContact CG-CD2 4.15Å; Y581-F624 AromaticContact CG-CE1 3.76Å; Y581-F624 HydrophobicContact CG-CE1 3.76Å; Y581-F624 HydrophobicContact CG-CE2 4.35Å; Y581-F624 AromaticContact CG-CG 3.72Å; Y581-F624 HydrophobicContact CG-CG 3.72Å; Y581-F624 HydrophobicContact CG-CZ 4.17Å; Y581-E625 WeakPolarHBondContact OH-CG 3.43Å; Y581-E625 PolarHBondContact OH-OE1 3.37Å
582	N	92.4	Very high	86.9	Confident	53 Å²	53	71 Å²	71	28%	0.283	36%	0.363	S	S	.	.			trans	-71.1	75.1	171	-64.8	-13.1	0	0	0	110.4	E579 V593 K594 W596	E579-N582 WeakPolarHBondContact CA-ND2 3.32Å; E579-N582 VanDerWaalsContact O-CB 3.22Å; E579-N582 WeakPolarHBondContact O-CB 3.42Å; E579-N582 VanDerWaalsContact O-CG 3.28Å; E579-N582 PolarHBondContact O-N 2.9Å; E579-N582 PolarHBondContact O-ND2 3.5Å; N582-V593 HydrophobicContact CB-CG1 4.24Å; N582-K594 PolarHBondContact OD1-O 3.07Å; N582-W596 PolarHBondContact OD1-N 3.29Å
583	S	88.1	Confident	87.1	Confident	34 Å²	34	72 Å²	72	24%	0.238	37%	0.367	C	S	.	.			trans	-117	149.2	-172.2	174.6	0	0	0	0	111.6	Y581 N585 Y586	Y581-S583 PolarHBondContact O-N 3Å; S583-N585 PolarHBondContact O-N 2.9Å; S583-N585 PolarHBondContact OG-N 3.17Å; S583-Y586 PolarHBondContact O-N 3.3Å
584	P	84.7	Confident	87.1	Confident	95 Å²	95	71.4 Å²	71.4	62%	0.617	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-17.9	168.8	-28.1	36.5	0	0	0	115.3	Y586 L587 V593	P584-Y586 PolarHBondContact O-N 3.29Å; P584-L587 WeakPolarHBondContact O-CD2 3.21Å; P584-L587 WeakPolarHBondContact O-CG 3.03Å; P584-V593 HydrophobicContact CG-CG2 4.46Å
585	N	83.8	Confident	87	Confident	140 Å²	140	75.9 Å²	75.9	75%	0.749	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-13.8	172	-64.1	-15.9	0	0	0	113.8	S583	S583-N585 PolarHBondContact O-N 2.9Å; S583-N585 PolarHBondContact OG-N 3.17Å
586	Y	83.9	Confident	87.1	Confident	66 Å²	66	74.5 Å²	74.5	26%	0.259	38%	0.38	S	S	.	.	S	Bend	trans	-126.6	87.5	-178.6	-61.9	-67.5	0	0	0	110.1	Y581 S583 P584 K594 W596 K622 F624	Y581-Y586 WeakPolarHBondContact O-CD2 3.4Å; S583-Y586 PolarHBondContact O-N 3.3Å; P584-Y586 PolarHBondContact O-N 3.29Å; Y586-K594 WeakPolarHBondContact O-CB 3.35Å; Y586-K594 PolarHBondContact O-N 3.33Å; Y586-W596 HydrophobicContact CD1-CZ2 4.12Å; Y586-W596 AromaticContact CD2-NE1 3.95Å; Y586-W596 HydrophobicContact CG-CZ2 4.13Å; Y586-W596 AromaticContact CG-NE1 3.9Å; Y586-K622 PolarHBondContact OH-NZ 2.95Å; Y586-F624 AromaticContact CE2-CE1 3.89Å; Y586-F624 HydrophobicContact CE2-CE1 3.89Å; Y586-F624 HydrophobicContact CE2-CZ 4.27Å; Y586-F624 AromaticContact CZ-CE1 3.86Å
587	L	85.6	Confident	87.1	Confident	83 Å²	83	71.2 Å²	71.2	44%	0.435	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-94.3	153.9	177.4	-54.8	-176.6	0	0	0	112.6	P584 N592 V593 K594	P584-L587 WeakPolarHBondContact O-CD2 3.21Å; P584-L587 WeakPolarHBondContact O-CG 3.03Å; L587-N592 CarbonylContact C-O 3.46Å; L587-N592 VanDerWaalsContact CA-O 3.24Å; L587-N592 WeakPolarHBondContact CA-O 3.07Å; L587-V593 HydrophobicContact CD2-CG2 4.21Å; L587-K594 WeakPolarHBondContact O-CD 3.44Å; L587-K594 WeakPolarHBondContact O-CE 3.32Å; L587-K594 PolarHBondContact O-NZ 3.42Å
588	D	78.1	Confident	87	Confident	60 Å²	60	70.9 Å²	70.9	32%	0.321	36%	0.363	S	S	.	.			trans	-84.4	175.9	167.3	73.8	12.8	0	0	0	112.1	N590 G591 N592 K594	D588-N590 PolarHBondContact O-N 2.95Å; D588-N590 VanDerWaalsContact O-N 3.09Å; D588-N590 VanDerWaalsContact OD1-C 3.26Å; D588-N590 VanDerWaalsContact OD1-CA 3.29Å; D588-N590 WeakPolarHBondContact OD1-CA 3.2Å; D588-N590 WeakPolarHBondContact OD1-CB 3.31Å; D588-N590 PolarHBondContact OD1-N 3.29Å; D588-G591 PolarHBondContact O-N 3.28Å; D588-G591 PolarHBondContact OD1-N 3.29Å; D588-N592 PolarHBondContact N-O 3.1Å; D588-N592 PolarHBondContact OD1-N 3.16Å; D588-N592 PolarHBondContact OD1-ND2 3.04Å; D588-N592 PolarHBondContact OD2-ND2 2.99Å; D588-K594 HydrophobicContact CB-CG 4.26Å
589	Y	75.3	Confident	86.8	Confident	226 Å²	226	72.8 Å²	72.8	89%	0.886	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.2	178.7	-66.7	-74.8	0	0	0	114.3
590	N	78.3	Confident	86.5	Confident	136 Å²	136	71.4 Å²	71.4	73%	0.727	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	4.5	179.3	-62.6	-0.4	0	0	0	111.8	D588 N592	D588-N590 PolarHBondContact O-N 2.95Å; D588-N590 VanDerWaalsContact O-N 3.09Å; D588-N590 VanDerWaalsContact OD1-C 3.26Å; D588-N590 VanDerWaalsContact OD1-CA 3.29Å; D588-N590 WeakPolarHBondContact OD1-CA 3.2Å; D588-N590 WeakPolarHBondContact OD1-CB 3.31Å; D588-N590 PolarHBondContact OD1-N 3.29Å; N590-N592 VanDerWaalsContact CB-ND2 3.33Å; N590-N592 WeakPolarHBondContact CB-ND2 3.26Å
591	G	79.3	Confident	86	Confident	46 Å²	46	65 Å²	65	47%	0.474	34%	0.339	S	S	.	.	S	Bend	trans	82.8	7.6	179.6	0	0	0	0	0	115.7	D588	D588-G591 PolarHBondContact O-N 3.28Å; D588-G591 PolarHBondContact OD1-N 3.29Å
592	N	85.9	Confident	85.2	Confident	89 Å²	89	66.8 Å²	66.8	48%	0.476	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-89.5	154.7	179.2	-49.3	-84	0	0	0	111.2	L587 D588 N590 K594	L587-N592 CarbonylContact C-O 3.46Å; L587-N592 VanDerWaalsContact CA-O 3.24Å; L587-N592 WeakPolarHBondContact CA-O 3.07Å; D588-N592 PolarHBondContact N-O 3.1Å; D588-N592 PolarHBondContact OD1-N 3.16Å; D588-N592 PolarHBondContact OD1-ND2 3.04Å; D588-N592 PolarHBondContact OD2-ND2 2.99Å; N590-N592 VanDerWaalsContact CB-ND2 3.33Å; N590-N592 WeakPolarHBondContact CB-ND2 3.26Å; N592-K594 PolarHBondContact O-N 2.9Å
593	V	88.1	Confident	84.7	Confident	61 Å²	61	65.1 Å²	65.1	37%	0.37	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-63.6	124.4	174.6	177.7	0	0	0	0	110.6	N582 P584 L587 Q595	N582-V593 HydrophobicContact CB-CG1 4.24Å; P584-V593 HydrophobicContact CG-CG2 4.46Å; L587-V593 HydrophobicContact CD2-CG2 4.21Å; V593-Q595 PolarHBondContact O-N 2.83Å
594	K	88.5	Confident	84.1	Confident	33 Å²	33	65.8 Å²	65.8	14%	0.143	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-60.3	125.1	174.3	-79.9	170.3	165.3	166.9	0	110.4	N582 Y586 L587 D588 N592 W596 A615 E620	N582-K594 PolarHBondContact OD1-O 3.07Å; Y586-K594 WeakPolarHBondContact O-CB 3.35Å; Y586-K594 PolarHBondContact O-N 3.33Å; L587-K594 WeakPolarHBondContact O-CD 3.44Å; L587-K594 WeakPolarHBondContact O-CE 3.32Å; L587-K594 PolarHBondContact O-NZ 3.42Å; D588-K594 HydrophobicContact CB-CG 4.26Å; N592-K594 PolarHBondContact O-N 2.9Å; K594-W596 HydrophobicContact CB-CZ2 4.43Å; K594-W596 HydrophobicContact CD-CZ2 4.04Å; K594-W596 PolarHBondContact O-N 2.87Å; K594-A615 HydrophobicContact CD-CB 4.49Å; K594-A615 HydrophobicContact CG-CB 4.5Å; K594-E620 VanDerWaalsContact CE-OE2 3.28Å; K594-E620 WeakPolarHBondContact CE-OE2 3.19Å; K594-E620 IonicContact NZ-OE1 2.63Å; K594-E620 PolarHBondContact NZ-OE1 3.32Å; K594-E620 IonicContact NZ-OE2 3.81Å; K594-E620 PolarHBondContact NZ-OE2 3.35Å
595	Q	90.3	Very high	83.8	Confident	98 Å²	98	65.8 Å²	65.8	46%	0.458	36%	0.364	S	S	.	.			trans	-83.8	109.6	168.8	-65.4	-177.8	1.6	0	0	109.1	V593 R616	V593-Q595 PolarHBondContact O-N 2.83Å; Q595-R616 HydrophobicContact CB-CB 3.97Å; Q595-R616 WeakPolarHBondContact O-CB 3.39Å; Q595-R616 PolarHBondContact O-N 2.89Å
596	W	91.9	Very high	83.3	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.008	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	128.6	176.2	-64.8	101.4	0	0	0	110.7	C578 Y581 N582 Y586 K594 C613 A615 K622 F624	C578-W596 HydrophobicContact CB-CB 4.22Å; C578-W596 WeakPolarHBondContact CB-O 3.48Å; Y581-W596 VanDerWaalsContact O-CD1 3.31Å; Y581-W596 PolarHBondContact O-NE1 3.02Å; N582-W596 PolarHBondContact OD1-N 3.29Å; Y586-W596 HydrophobicContact CD1-CZ2 4.12Å; Y586-W596 AromaticContact CD2-NE1 3.95Å; Y586-W596 HydrophobicContact CG-CZ2 4.13Å; Y586-W596 AromaticContact CG-NE1 3.9Å; K594-W596 HydrophobicContact CB-CZ2 4.43Å; K594-W596 HydrophobicContact CD-CZ2 4.04Å; K594-W596 PolarHBondContact O-N 2.87Å; W596-C613 HydrophobicContact CB-CB 4.1Å; W596-C613 HydrophobicContact CE3-CB 4.11Å; W596-A615 HydrophobicContact CE3-CB 4.45Å; W596-A615 HydrophobicContact CZ3-CB 4.22Å; W596-K622 HydrophobicContact CH2-CB 4.27Å; W596-K622 HydrophobicContact CZ3-CB 4.21Å; W596-F624 AromaticContact CD2-CE2 3.67Å; W596-F624 HydrophobicContact CD2-CE2 3.67Å; W596-F624 AromaticContact CD2-CZ 3.9Å; W596-F624 HydrophobicContact CD2-CZ 3.9Å; W596-F624 AromaticContact CE2-CE2 3.98Å; W596-F624 AromaticContact CE2-CZ 3.69Å; W596-F624 AromaticContact CE3-CE2 3.84Å; W596-F624 HydrophobicContact CE3-CE2 3.84Å; W596-F624 HydrophobicContact CE3-CZ 4.34Å; W596-F624 HydrophobicContact CG-CE2 4.02Å; W596-F624 HydrophobicContact CG-CZ 4.29Å; W596-F624 HydrophobicContact CH2-CZ 4.45Å; W596-F624 HydrophobicContact CZ2-CE2 4.42Å; W596-F624 AromaticContact CZ2-CZ 3.99Å; W596-F624 HydrophobicContact CZ2-CZ 3.99Å; W596-F624 HydrophobicContact CZ3-CE2 4.3Å; W596-F624 AromaticContact NE1-CZ 3.93Å
597	I	91.1	Very high	83.3	Confident	10 Å²	10	67.4 Å²	67.4	5%	0.051	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.8	177.3	56.2	169.1	0	0	0	110.2	C613 R614 R616 P744	I597-C613 CarbonylContact O-C 3.54Å; I597-C613 VanDerWaalsContact O-CA 3.29Å; I597-C613 WeakPolarHBondContact O-CA 3.38Å; I597-R614 HydrophobicContact CD1-CG 4.36Å; I597-R614 HydrophobicContact CG1-CG 3.82Å; I597-R614 WeakPolarHBondContact CG1-O 3.46Å; I597-R614 PolarHBondContact N-O 2.66Å; I597-R614 PolarHBondContact O-N 3.23Å; I597-R616 HydrophobicContact CD1-CB 4.41Å; I597-R616 HydrophobicContact CD1-CG 4.23Å; I597-P744 HydrophobicContact CD1-CG 4.04Å
598	P	91.8	Very high	83.4	Confident	9 Å²	9	68.3 Å²	68.3	6%	0.058	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	148.8	-178	-26.9	37.3	0	0	0	113.7	R574 E575 Y600	R574-P598 HydrophobicContact CB-CG 4.11Å; R574-P598 HydrophobicContact CG-CB 4.17Å; R574-P598 HydrophobicContact CG-CG 3.93Å; E575-P598 HydrophobicContact CB-CG 4.38Å; E575-P598 HydrophobicContact CG-CG 3.68Å; P598-Y600 HydrophobicContact CB-CE2 3.77Å
599	K	89.7	Confident	84.1	Confident	41 Å²	41	65.5 Å²	65.5	18%	0.178	35%	0.345	C	S	.	.			trans	-117.6	120.9	172.8	171.3	176.3	164.6	60.3	0	108.8	A601 V603 F612 R614 F621	K599-A601 PolarHBondContact NZ-O 2.91Å; K599-V603 HydrophobicContact CG-CG2 4.15Å; K599-V603 WeakPolarHBondContact O-CG2 3.27Å; K599-F612 HydrophobicContact CB-CB 4.22Å; K599-F612 PolarHBondContact N-O 3.24Å; K599-R614 HydrophobicContact CB-CB 4.23Å; K599-R614 HydrophobicContact CB-CG 4.29Å; K599-R614 HydrophobicContact CD-CB 4.47Å; K599-F621 HydrophobicContact CD-CB 3.69Å; K599-F621 HydrophobicContact CD-CD1 4.29Å; K599-F621 HydrophobicContact CD-CD2 3.99Å; K599-F621 HydrophobicContact CD-CG 3.73Å
600	Y	86	Confident	84.9	Confident	35 Å²	35	58.2 Å²	58.2	14%	0.137	32%	0.318	C	S	.	.			trans	-113.6	-36.4	172.4	-49.4	-86.6	0	0	0	111	P598 G602 V603 P636 D742	P598-Y600 HydrophobicContact CB-CE2 3.77Å; Y600-G602 PolarHBondContact O-N 2.92Å; Y600-V603 WeakPolarHBondContact O-CB 3.48Å; Y600-V603 PolarHBondContact O-N 3.1Å; Y600-V603 VanDerWaalsContact O-N 3.1Å; Y600-P636 HydrophobicContact CD2-CG 4.28Å; Y600-P636 HydrophobicContact CE2-CG 4.4Å; Y600-D742 WeakPolarHBondContact CA-OD2 3.2Å; Y600-D742 WeakPolarHBondContact CB-OD2 3.15Å; Y600-D742 HydrophobicContact CD2-CB 4.39Å; Y600-D742 PolarHBondContact N-OD2 2.89Å
601	A	81.1	Confident	85.6	Confident	14 Å²	14	51.9 Å²	51.9	12%	0.116	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	127.2	173.4	0	0	0	0	0	111.2	K599 V603 E740 D742	K599-A601 PolarHBondContact NZ-O 2.91Å; A601-V603 VanDerWaalsContact C-N 3.31Å; A601-V603 PolarHBondContact O-N 2.86Å; A601-E740 HydrophobicContact CB-CG 4.12Å; A601-D742 WeakPolarHBondContact CB-OD2 3.4Å; A601-D742 PolarHBondContact N-OD2 2.8Å
602	G	76.1	Confident	86.2	Confident	71 Å²	71	51 Å²	51	73%	0.732	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	10.8	-175.1	0	0	0	0	0	116	Y600	Y600-G602 PolarHBondContact O-N 2.92Å
603	V	80.9	Confident	86.5	Confident	18 Å²	18	46.8 Å²	46.8	11%	0.109	24%	0.244	C	C	.	.			trans	-92.2	127	174.2	-178.1	0	0	0	0	110.6	K599 Y600 A601 D607 R608 F612	K599-V603 HydrophobicContact CG-CG2 4.15Å; K599-V603 WeakPolarHBondContact O-CG2 3.27Å; Y600-V603 WeakPolarHBondContact O-CB 3.48Å; Y600-V603 PolarHBondContact O-N 3.1Å; Y600-V603 VanDerWaalsContact O-N 3.1Å; A601-V603 VanDerWaalsContact C-N 3.31Å; A601-V603 PolarHBondContact O-N 2.86Å; V603-D607 HydrophobicContact CG1-CB 4.08Å; V603-R608 HydrophobicContact CG1-CG 4.47Å; V603-F612 HydrophobicContact CG1-CD2 3.83Å; V603-F612 HydrophobicContact CG1-CE2 3.73Å; V603-F612 HydrophobicContact CG1-CG 4.41Å; V603-F612 HydrophobicContact CG1-CZ 4.23Å; V603-F612 HydrophobicContact CG2-CB 4.21Å; V603-F612 HydrophobicContact CG2-CD1 4.1Å; V603-F612 HydrophobicContact CG2-CD2 4.16Å; V603-F612 HydrophobicContact CG2-CG 3.91Å
604	S	76.9	Confident	86.6	Confident	49 Å²	49	45.3 Å²	45.3	34%	0.343	23%	0.232	S	C	.	.			trans	-54.7	143.2	176.8	137.9	0	0	0	0	111.6	R606 D607 R608	S604-R606 PolarHBondContact O-N 3.5Å; S604-R606 PolarHBondContact OG-N 3.18Å; S604-D607 WeakPolarHBondContact CB-OD2 3.25Å; S604-D607 PolarHBondContact O-N 3.48Å; S604-D607 PolarHBondContact OG-N 3.02Å; S604-D607 PolarHBondContact OG-OD2 3.3Å; S604-R608 WeakPolarHBondContact O-CG 3.49Å; S604-R608 PolarHBondContact O-N 3.31Å
605	P	77.9	Confident	86.5	Confident	95 Å²	95	43.9 Å²	43.9	62%	0.617	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-31.9	176.9	-27.2	35.9	0	0	0	114.8
606	R	73.1	Confident	86.2	Confident	198 Å²	198	45.4 Å²	45.4	75%	0.747	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-37.2	175.4	-63.9	-171.8	-177.8	-156.4	2.4	111.3	S604	S604-R606 PolarHBondContact O-N 3.5Å; S604-R606 PolarHBondContact OG-N 3.18Å
607	D	83.7	Confident	85.4	Confident	41 Å²	41	49.2 Å²	49.2	22%	0.219	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-0.3	-172.3	-59.8	-85.6	0	0	0	114.3	V603 S604 C609 K610 F612	V603-D607 HydrophobicContact CG1-CB 4.08Å; S604-D607 WeakPolarHBondContact CB-OD2 3.25Å; S604-D607 PolarHBondContact O-N 3.48Å; S604-D607 PolarHBondContact OG-N 3.02Å; S604-D607 PolarHBondContact OG-OD2 3.3Å; D607-C609 PolarHBondContact O-N 3.35Å; D607-K610 HydrophobicContact CB-CD 4.29Å; D607-K610 HydrophobicContact CB-CG 4.49Å; D607-K610 PolarHBondContact O-N 2.81Å; D607-K610 VanDerWaalsContact OD1-CE 3.26Å; D607-K610 WeakPolarHBondContact OD1-CE 3.36Å; D607-K610 IonicContact OD1-NZ 2.72Å; D607-K610 PolarHBondContact OD1-NZ 3.09Å; D607-F612 HydrophobicContact CB-CE2 3.84Å; D607-F612 HydrophobicContact CB-CZ 4.13Å; D607-F612 WeakPolarHBondContact O-CE2 3.34Å
608	R	88.4	Confident	84.5	Confident	102 Å²	102	50.9 Å²	50.9	39%	0.385	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-14.4	-177.8	-78.3	-176.9	-178.8	178.6	1.9	115.7	R574 V603 S604	R574-R608 VanDerWaalsContact CZ-O 3.28Å; R574-R608 PolarHBondContact NH1-O 2.93Å; R574-R608 PolarHBondContact NH2-O 3.42Å; V603-R608 HydrophobicContact CG1-CG 4.47Å; S604-R608 WeakPolarHBondContact O-CG 3.49Å; S604-R608 PolarHBondContact O-N 3.31Å
609	C	92.8	Very high	83.5	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.007	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	13.2	179.7	-71.1	0	0	0	0	113.8	D607 K627 V628 C642 G645	D607-C609 PolarHBondContact O-N 3.35Å; C609-K627 CarbonylContact O-C 3.58Å; C609-K627 WeakPolarHBondContact O-CA 3.47Å; C609-V628 HydrophobicContact CB-CG2 4.4Å; C609-V628 WeakPolarHBondContact O-CG2 3.47Å; C609-V628 PolarHBondContact O-N 2.91Å; C609-C642 VanDerWaalsContact CA-SG 3.52Å; C609-C642 HydrophobicContact CB-CB 3.68Å; C609-C642 WeakPolarHBondContact CB-SG 3.38Å; C609-C642 WeakPolarHBondContact SG-CA 3.37Å; C609-C642 WeakPolarHBondContact SG-CB 3.45Å; C609-C642 CovalentContact SG-SG 2.03Å; C609-C642 PolarHBondContact SG-SG 3.33Å; C609-G645 VanDerWaalsContact CB-C 3.46Å; C609-G645 WeakPolarHBondContact CB-O 3.42Å
610	K	91.4	Very high	83	Confident	73 Å²	73	57.2 Å²	57.2	32%	0.317	32%	0.323	S	S	.	.	S	Bend	trans	-87	156.1	160.3	-44.2	-172.4	167.6	161.1	0	109.7	D607 F612 V623 S626	D607-K610 HydrophobicContact CB-CD 4.29Å; D607-K610 HydrophobicContact CB-CG 4.49Å; D607-K610 PolarHBondContact O-N 2.81Å; D607-K610 VanDerWaalsContact OD1-CE 3.26Å; D607-K610 WeakPolarHBondContact OD1-CE 3.36Å; D607-K610 IonicContact OD1-NZ 2.72Å; D607-K610 PolarHBondContact OD1-NZ 3.09Å; K610-F612 HydrophobicContact CB-CD2 4.06Å; K610-F612 HydrophobicContact CB-CE2 3.79Å; K610-F612 HydrophobicContact CD-CE2 4.37Å; K610-F612 HydrophobicContact CG-CE2 4.36Å; K610-F612 PolarHBondContact O-N 3.39Å; K610-V623 HydrophobicContact CB-CG1 4.22Å; K610-S626 WeakPolarHBondContact CG-O 3.24Å
611	L	93.1	Very high	83	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.016	34%	0.339	C	S	.	.			trans	-84.7	78.7	-178.2	-172.6	60.9	0	0	0	111.6	R574 Q577 Y581 V623 F624 E625 V628	R574-L611 HydrophobicContact CG-CD1 4.16Å; Q577-L611 HydrophobicContact CB-CD1 3.81Å; Q577-L611 HydrophobicContact CB-CD2 4.13Å; Y581-L611 HydrophobicContact CE2-CD2 3.78Å; L611-V623 WeakPolarHBondContact O-CA 3.37Å; L611-F624 HydrophobicContact CD2-CB 4.08Å; L611-F624 HydrophobicContact CG-CB 4.4Å; L611-F624 PolarHBondContact O-N 2.76Å; L611-E625 HydrophobicContact CB-CB 3.89Å; L611-E625 HydrophobicContact CD2-CB 4.2Å; L611-E625 HydrophobicContact CD2-CG 3.91Å; L611-E625 PolarHBondContact N-O 3.1Å; L611-V628 HydrophobicContact CB-CG1 4.04Å; L611-V628 HydrophobicContact CD1-CG1 4.06Å
612	F	91.9	Very high	83.1	Confident	28 Å²	28	64 Å²	64	12%	0.123	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	115.6	170	-73.3	-97.2	0	0	0	111	K599 V603 D607 K610 F621 V623	K599-F612 HydrophobicContact CB-CB 4.22Å; K599-F612 PolarHBondContact N-O 3.24Å; V603-F612 HydrophobicContact CG1-CD2 3.83Å; V603-F612 HydrophobicContact CG1-CE2 3.73Å; V603-F612 HydrophobicContact CG1-CG 4.41Å; V603-F612 HydrophobicContact CG1-CZ 4.23Å; V603-F612 HydrophobicContact CG2-CB 4.21Å; V603-F612 HydrophobicContact CG2-CD1 4.1Å; V603-F612 HydrophobicContact CG2-CD2 4.16Å; V603-F612 HydrophobicContact CG2-CG 3.91Å; D607-F612 HydrophobicContact CB-CE2 3.84Å; D607-F612 HydrophobicContact CB-CZ 4.13Å; D607-F612 WeakPolarHBondContact O-CE2 3.34Å; K610-F612 HydrophobicContact CB-CD2 4.06Å; K610-F612 HydrophobicContact CB-CE2 3.79Å; K610-F612 HydrophobicContact CD-CE2 4.37Å; K610-F612 HydrophobicContact CG-CE2 4.36Å; K610-F612 PolarHBondContact O-N 3.39Å; F612-F621 HydrophobicContact CD1-CD2 4.2Å; F612-F621 HydrophobicContact CD1-CE2 4.27Å; F612-F621 HydrophobicContact CE1-CE2 4.31Å; F612-V623 HydrophobicContact CD1-CG2 3.65Å; F612-V623 HydrophobicContact CD2-CG2 4.44Å; F612-V623 HydrophobicContact CE1-CG2 3.46Å; F612-V623 VanDerWaalsContact CE1-CG2 3.46Å; F612-V623 HydrophobicContact CE2-CG2 4.27Å; F612-V623 HydrophobicContact CG-CG2 4.15Å; F612-V623 HydrophobicContact CZ-CG2 3.79Å
613	C	92.3	Very high	83.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.4	173.2	-51.9	0	0	0	0	110.5	C578 W596 I597 F621 K622 F624	C578-C613 WeakPolarHBondContact CA-SG 3.45Å; C578-C613 HydrophobicContact CB-CB 3.9Å; C578-C613 WeakPolarHBondContact CB-SG 3.33Å; C578-C613 WeakPolarHBondContact SG-CB 3.39Å; C578-C613 CovalentContact SG-SG 2.04Å; C578-C613 PolarHBondContact SG-SG 3.44Å; W596-C613 HydrophobicContact CB-CB 4.1Å; W596-C613 HydrophobicContact CE3-CB 4.11Å; I597-C613 CarbonylContact O-C 3.54Å; I597-C613 VanDerWaalsContact O-CA 3.29Å; I597-C613 WeakPolarHBondContact O-CA 3.38Å; C613-F621 CarbonylContact O-C 3.21Å; C613-F621 VanDerWaalsContact O-CA 3.27Å; C613-F621 WeakPolarHBondContact O-CA 3.38Å; C613-F621 WeakPolarHBondContact O-CB 3.5Å; C613-K622 PolarHBondContact N-O 2.76Å; C613-K622 PolarHBondContact O-N 2.65Å; C613-K622 VanDerWaalsContact O-O 3.12Å; C613-F624 HydrophobicContact CB-CD2 3.86Å; C613-F624 HydrophobicContact CB-CE2 3.96Å
614	R	90.2	Very high	84	Confident	30 Å²	30	64.1 Å²	64.1	11%	0.113	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	149.9	173.4	68.3	-175.1	-166.9	96.9	-11.1	110.8	I597 K599 S618 E620 F621 D742	I597-R614 HydrophobicContact CD1-CG 4.36Å; I597-R614 HydrophobicContact CG1-CG 3.82Å; I597-R614 WeakPolarHBondContact CG1-O 3.46Å; I597-R614 PolarHBondContact N-O 2.66Å; I597-R614 PolarHBondContact O-N 3.23Å; K599-R614 HydrophobicContact CB-CB 4.23Å; K599-R614 HydrophobicContact CB-CG 4.29Å; K599-R614 HydrophobicContact CD-CB 4.47Å; R614-S618 PolarHBondContact NH1-O 2.97Å; R614-E620 CarbonylContact C-O 3.46Å; R614-E620 VanDerWaalsContact CA-O 3.28Å; R614-E620 WeakPolarHBondContact CA-O 3.41Å; R614-E620 WeakPolarHBondContact CB-O 3.47Å; R614-F621 HydrophobicContact CB-CB 3.98Å; R614-D742 PolarHBondContact NH2-O 3.04Å
615	A	86.3	Confident	84.3	Confident	4 Å²	4	65.6 Å²	65.6	3%	0.033	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	133.2	173	0	0	0	0	0	110.1	K594 W596 G617 S618 E620	K594-A615 HydrophobicContact CD-CB 4.49Å; K594-A615 HydrophobicContact CG-CB 4.5Å; W596-A615 HydrophobicContact CE3-CB 4.45Å; W596-A615 HydrophobicContact CZ3-CB 4.22Å; A615-G617 PolarHBondContact O-N 3.47Å; A615-S618 PolarHBondContact O-N 3.24Å; A615-E620 HydrophobicContact CB-CB 4.45Å; A615-E620 PolarHBondContact N-O 2.96Å
616	R	84.3	Confident	84.3	Confident	129 Å²	129	65.4 Å²	65.4	49%	0.487	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	128.5	-179.5	-162.9	177.3	-148.7	159.4	10.9	110.1	Q595 I597 S618	Q595-R616 HydrophobicContact CB-CB 3.97Å; Q595-R616 WeakPolarHBondContact O-CB 3.39Å; Q595-R616 PolarHBondContact O-N 2.89Å; I597-R616 HydrophobicContact CD1-CB 4.41Å; I597-R616 HydrophobicContact CD1-CG 4.23Å; R616-S618 VanDerWaalsContact C-N 3.26Å; R616-S618 PolarHBondContact O-N 3.34Å
617	G	73.6	Confident	85	Confident	83 Å²	83	59.3 Å²	59.3	86%	0.856	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	-2.2	-176.1	0	0	0	0	0	115.7	A615	A615-G617 PolarHBondContact O-N 3.47Å
618	S	72.8	Confident	85.5	Confident	45 Å²	45	57.5 Å²	57.5	32%	0.315	31%	0.307	S	S	.	.	S	Bend	trans	-118.8	164.3	179.4	-175.5	0	0	0	0	112.3	R614 A615 R616 E620	R614-S618 PolarHBondContact NH1-O 2.97Å; A615-S618 PolarHBondContact O-N 3.24Å; R616-S618 VanDerWaalsContact C-N 3.26Å; R616-S618 PolarHBondContact O-N 3.34Å; S618-E620 WeakPolarHBondContact OG-CB 3.17Å; S618-E620 PolarHBondContact OG-N 3.1Å; S618-E620 VanDerWaalsContact OG-N 3.1Å
619	S	71.2	Confident	85.8	Confident	114 Å²	114	56.5 Å²	56.5	80%	0.797	31%	0.308	S	S	*	.	S	Bend	trans	-85.4	-13.9	166.6	52	0	0	0	0	113	F621	S619-F621 PolarHBondContact O-N 3.04Å
620	E	78.8	Confident	85.8	Confident	68 Å²	68	57.1 Å²	57.1	32%	0.318	31%	0.312	S	S	.	.			trans	-58.7	131.9	176.7	-173.8	-171.8	148.5	0	0	111.4	K594 R614 A615 S618	K594-E620 VanDerWaalsContact CE-OE2 3.28Å; K594-E620 WeakPolarHBondContact CE-OE2 3.19Å; K594-E620 IonicContact NZ-OE1 2.63Å; K594-E620 PolarHBondContact NZ-OE1 3.32Å; K594-E620 IonicContact NZ-OE2 3.81Å; K594-E620 PolarHBondContact NZ-OE2 3.35Å; R614-E620 CarbonylContact C-O 3.46Å; R614-E620 VanDerWaalsContact CA-O 3.28Å; R614-E620 WeakPolarHBondContact CA-O 3.41Å; R614-E620 WeakPolarHBondContact CB-O 3.47Å; A615-E620 HydrophobicContact CB-CB 4.45Å; A615-E620 PolarHBondContact N-O 2.96Å; S618-E620 WeakPolarHBondContact OG-CB 3.17Å; S618-E620 PolarHBondContact OG-N 3.1Å; S618-E620 VanDerWaalsContact OG-N 3.1Å
621	F	86.1	Confident	85.9	Confident	107 Å²	107	53.7 Å²	53.7	47%	0.469	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	158.1	177.5	75.9	-84.7	0	0	0	112.1	K599 F612 C613 R614 S619	K599-F621 HydrophobicContact CD-CB 3.69Å; K599-F621 HydrophobicContact CD-CD1 4.29Å; K599-F621 HydrophobicContact CD-CD2 3.99Å; K599-F621 HydrophobicContact CD-CG 3.73Å; F612-F621 HydrophobicContact CD1-CD2 4.2Å; F612-F621 HydrophobicContact CD1-CE2 4.27Å; F612-F621 HydrophobicContact CE1-CE2 4.31Å; C613-F621 CarbonylContact O-C 3.21Å; C613-F621 VanDerWaalsContact O-CA 3.27Å; C613-F621 WeakPolarHBondContact O-CA 3.38Å; C613-F621 WeakPolarHBondContact O-CB 3.5Å; R614-F621 HydrophobicContact CB-CB 3.98Å; S619-F621 PolarHBondContact O-N 3.04Å
622	K	82.8	Confident	85.9	Confident	85 Å²	85	53.6 Å²	53.6	37%	0.37	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.1	179	-177.8	162.8	177.7	174.2	0	110	Y586 W596 C613 F624	Y586-K622 PolarHBondContact OH-NZ 2.95Å; W596-K622 HydrophobicContact CH2-CB 4.27Å; W596-K622 HydrophobicContact CZ3-CB 4.21Å; C613-K622 PolarHBondContact N-O 2.76Å; C613-K622 PolarHBondContact O-N 2.65Å; C613-K622 VanDerWaalsContact O-O 3.12Å; K622-F624 HydrophobicContact CB-CD2 4.42Å; K622-F624 HydrophobicContact CB-CE2 4.03Å; K622-F624 HydrophobicContact CB-CZ 4.25Å; K622-F624 HydrophobicContact CD-CD1 4.25Å; K622-F624 HydrophobicContact CD-CE1 3.75Å; K622-F624 HydrophobicContact CD-CE2 4.41Å; K622-F624 HydrophobicContact CD-CZ 3.85Å; K622-F624 HydrophobicContact CG-CD1 4.43Å; K622-F624 HydrophobicContact CG-CD2 4.41Å; K622-F624 HydrophobicContact CG-CE1 4.27Å; K622-F624 HydrophobicContact CG-CE2 4.26Å; K622-F624 HydrophobicContact CG-CZ 4.19Å
623	V	88.7	Confident	85.9	Confident	62 Å²	62	53.5 Å²	53.5	38%	0.376	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.6	163.9	-173.9	0	0	0	0	107	K610 L611 F612	K610-V623 HydrophobicContact CB-CG1 4.22Å; L611-V623 WeakPolarHBondContact O-CA 3.37Å; F612-V623 HydrophobicContact CD1-CG2 3.65Å; F612-V623 HydrophobicContact CD2-CG2 4.44Å; F612-V623 HydrophobicContact CE1-CG2 3.46Å; F612-V623 VanDerWaalsContact CE1-CG2 3.46Å; F612-V623 HydrophobicContact CE2-CG2 4.27Å; F612-V623 HydrophobicContact CG-CG2 4.15Å; F612-V623 HydrophobicContact CZ-CG2 3.79Å
624	F	87	Confident	85.9	Confident	29 Å²	29	53.6 Å²	53.6	13%	0.127	30%	0.299	C	S	.	.			trans	-98.1	-32	-177.4	-80.2	-73.6	0	0	0	113.7	Y581 Y586 W596 L611 C613 K622	Y581-F624 HydrophobicContact CD1-CB 4.23Å; Y581-F624 AromaticContact CD1-CD1 3.28Å; Y581-F624 HydrophobicContact CD1-CD1 3.28Å; Y581-F624 AromaticContact CD1-CE1 3.69Å; Y581-F624 HydrophobicContact CD1-CE1 3.69Å; Y581-F624 AromaticContact CD1-CG 3.85Å; Y581-F624 HydrophobicContact CD1-CG 3.85Å; Y581-F624 HydrophobicContact CD2-CB 4.07Å; Y581-F624 HydrophobicContact CD2-CD1 4.19Å; Y581-F624 HydrophobicContact CD2-CD2 4.23Å; Y581-F624 AromaticContact CD2-CG 3.92Å; Y581-F624 HydrophobicContact CD2-CG 3.92Å; Y581-F624 HydrophobicContact CE1-CB 4.07Å; Y581-F624 AromaticContact CE1-CD1 3.82Å; Y581-F624 HydrophobicContact CE1-CD1 3.82Å; Y581-F624 HydrophobicContact CE1-CG 4.2Å; Y581-F624 HydrophobicContact CE2-CB 3.95Å; Y581-F624 HydrophobicContact CE2-CG 4.3Å; Y581-F624 HydrophobicContact CG-CB 4.25Å; Y581-F624 AromaticContact CG-CD1 3.52Å; Y581-F624 HydrophobicContact CG-CD1 3.52Å; Y581-F624 HydrophobicContact CG-CD2 4.15Å; Y581-F624 AromaticContact CG-CE1 3.76Å; Y581-F624 HydrophobicContact CG-CE1 3.76Å; Y581-F624 HydrophobicContact CG-CE2 4.35Å; Y581-F624 AromaticContact CG-CG 3.72Å; Y581-F624 HydrophobicContact CG-CG 3.72Å; Y581-F624 HydrophobicContact CG-CZ 4.17Å; Y586-F624 AromaticContact CE2-CE1 3.89Å; Y586-F624 HydrophobicContact CE2-CE1 3.89Å; Y586-F624 HydrophobicContact CE2-CZ 4.27Å; Y586-F624 AromaticContact CZ-CE1 3.86Å; W596-F624 AromaticContact CD2-CE2 3.67Å; W596-F624 HydrophobicContact CD2-CE2 3.67Å; W596-F624 AromaticContact CD2-CZ 3.9Å; W596-F624 HydrophobicContact CD2-CZ 3.9Å; W596-F624 AromaticContact CE2-CE2 3.98Å; W596-F624 AromaticContact CE2-CZ 3.69Å; W596-F624 AromaticContact CE3-CE2 3.84Å; W596-F624 HydrophobicContact CE3-CE2 3.84Å; W596-F624 HydrophobicContact CE3-CZ 4.34Å; W596-F624 HydrophobicContact CG-CE2 4.02Å; W596-F624 HydrophobicContact CG-CZ 4.29Å; W596-F624 HydrophobicContact CH2-CZ 4.45Å; W596-F624 HydrophobicContact CZ2-CE2 4.42Å; W596-F624 AromaticContact CZ2-CZ 3.99Å; W596-F624 HydrophobicContact CZ2-CZ 3.99Å; W596-F624 HydrophobicContact CZ3-CE2 4.3Å; W596-F624 AromaticContact NE1-CZ 3.93Å; L611-F624 HydrophobicContact CD2-CB 4.08Å; L611-F624 HydrophobicContact CG-CB 4.4Å; L611-F624 PolarHBondContact O-N 2.76Å; C613-F624 HydrophobicContact CB-CD2 3.86Å; C613-F624 HydrophobicContact CB-CE2 3.96Å; K622-F624 HydrophobicContact CB-CD2 4.42Å; K622-F624 HydrophobicContact CB-CE2 4.03Å; K622-F624 HydrophobicContact CB-CZ 4.25Å; K622-F624 HydrophobicContact CD-CD1 4.25Å; K622-F624 HydrophobicContact CD-CE1 3.75Å; K622-F624 HydrophobicContact CD-CE2 4.41Å; K622-F624 HydrophobicContact CD-CZ 3.85Å; K622-F624 HydrophobicContact CG-CD1 4.43Å; K622-F624 HydrophobicContact CG-CD2 4.41Å; K622-F624 HydrophobicContact CG-CE1 4.27Å; K622-F624 HydrophobicContact CG-CE2 4.26Å; K622-F624 HydrophobicContact CG-CZ 4.19Å
625	E	83.9	Confident	85.7	Confident	80 Å²	80	52.5 Å²	52.5	37%	0.374	30%	0.297	S	S	.	.			trans	-139.9	144.3	180	-61.6	-66	170.1	0	0	109.9	Y581 L611 K627	Y581-E625 WeakPolarHBondContact OH-CG 3.43Å; Y581-E625 PolarHBondContact OH-OE1 3.37Å; L611-E625 HydrophobicContact CB-CB 3.89Å; L611-E625 HydrophobicContact CD2-CB 4.2Å; L611-E625 HydrophobicContact CD2-CG 3.91Å; L611-E625 PolarHBondContact N-O 3.1Å; E625-K627 VanDerWaalsContact C-N 3.31Å; E625-K627 PolarHBondContact O-N 3.49Å
626	S	78.1	Confident	85.5	Confident	92 Å²	92	53 Å²	53	64%	0.643	30%	0.3	S	S	*	.	S	Bend	trans	-68.8	-27.6	-179.9	55.4	0	0	0	0	113.2	K610	K610-S626 WeakPolarHBondContact CG-O 3.24Å
627	K	88.4	Confident	85.1	Confident	69 Å²	69	49.9 Å²	49.9	30%	0.3	29%	0.293	S	S	.	.	S	Bend	trans	-136.3	139.5	169	52.8	-168.5	174.3	-172.4	0	110.6	E403 C609 E625	E403-K627 IonicContact OE1-NZ 3.19Å; E403-K627 PolarHBondContact OE1-NZ 2.85Å; C609-K627 CarbonylContact O-C 3.58Å; C609-K627 WeakPolarHBondContact O-CA 3.47Å; E625-K627 VanDerWaalsContact C-N 3.31Å; E625-K627 PolarHBondContact O-N 3.49Å
628	V	93.7	Very high	85.6	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.018	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-69.8	160.3	164.4	-59.6	0	0	0	0	109.5	C609 L611 D630 T632 C642	C609-V628 HydrophobicContact CB-CG2 4.4Å; C609-V628 WeakPolarHBondContact O-CG2 3.47Å; C609-V628 PolarHBondContact O-N 2.91Å; L611-V628 HydrophobicContact CB-CG1 4.04Å; L611-V628 HydrophobicContact CD1-CG1 4.06Å; V628-D630 PolarHBondContact O-N 2.95Å; V628-T632 HydrophobicContact CB-CG2 4.25Å; V628-T632 HydrophobicContact CG2-CG2 4.01Å; V628-C642 HydrophobicContact CG2-CB 3.52Å; V628-C642 WeakPolarHBondContact CG2-SG 3.23Å
629	I	94.2	Very high	86.2	Confident	81 Å²	81	47.1 Å²	47.1	42%	0.415	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-61	133	175.3	-64.4	162.8	0	0	0	109.6	F573 Q577 T632	F573-I629 HydrophobicContact CE1-CB 3.82Å; F573-I629 HydrophobicContact CE1-CD1 4.43Å; F573-I629 HydrophobicContact CE1-CG2 3.82Å; F573-I629 HydrophobicContact CZ-CB 4.06Å; F573-I629 HydrophobicContact CZ-CD1 3.9Å; F573-I629 HydrophobicContact CZ-CG2 3.89Å; Q577-I629 HydrophobicContact CG-CD1 4.11Å; I629-T632 WeakPolarHBondContact O-CB 3.14Å; I629-T632 PolarHBondContact O-N 3.34Å; I629-T632 VanDerWaalsContact O-N 3.1Å; I629-T632 PolarHBondContact O-OG1 2.97Å
630	D	94	Very high	87.2	Confident	15 Å²	15	42.9 Å²	42.9	8%	0.08	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	144.9	-177.8	-75.7	-0.2	0	0	0	111.9	S524 V531 V628 T632 C642 V643 Q644	S524-D630 WeakPolarHBondContact CB-O 3.49Å; S524-D630 PolarHBondContact OG-O 3.29Å; V531-D630 HydrophobicContact CB-CB 4.04Å; V531-D630 HydrophobicContact CG2-CB 4.46Å; V628-D630 PolarHBondContact O-N 2.95Å; D630-T632 VanDerWaalsContact C-N 3.3Å; D630-C642 CarbonylContact C-O 3.54Å; D630-C642 WeakPolarHBondContact CA-O 3.23Å; D630-V643 WeakPolarHBondContact OD1-CA 3.46Å; D630-Q644 PolarHBondContact OD1-N 3.35Å; D630-Q644 PolarHBondContact OD2-N 3.08Å; D630-Q644 PolarHBondContact OD2-NE2 3.42Å
631	G	92.7	Very high	87.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-13.4	-168.6	0	0	0	0	0	114.4	T633 C642	G631-T633 PolarHBondContact O-N 3.39Å; G631-C642 PolarHBondContact N-O 2.96Å
632	T	93.9	Very high	88.2	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.012	19%	0.191	C	C	.	.			trans	-60.6	130.9	168.9	-58	0	0	0	0	110.1	F573 R574 Q577 V628 I629 D630 V641 C642	F573-T632 VanDerWaalsContact CD1-OG1 3.27Å; F573-T632 WeakPolarHBondContact CD1-OG1 3.22Å; F573-T632 WeakPolarHBondContact CE1-OG1 3.49Å; R574-T632 HydrophobicContact CB-CG2 3.83Å; R574-T632 HydrophobicContact CG-CG2 4.17Å; Q577-T632 PolarHBondContact NE2-OG1 2.65Å; V628-T632 HydrophobicContact CB-CG2 4.25Å; V628-T632 HydrophobicContact CG2-CG2 4.01Å; I629-T632 WeakPolarHBondContact O-CB 3.14Å; I629-T632 PolarHBondContact O-N 3.34Å; I629-T632 VanDerWaalsContact O-N 3.1Å; I629-T632 PolarHBondContact O-OG1 2.97Å; D630-T632 VanDerWaalsContact C-N 3.3Å; T632-V641 CarbonylContact O-C 3.42Å; T632-C642 WeakPolarHBondContact O-CB 3.43Å; T632-C642 PolarHBondContact O-N 2.9Å; T632-C642 PolarHBondContact O-SG 3.15Å; T632-C642 VanDerWaalsContact O-SG 3.4Å
633	T	91.1	Very high	88.6	Confident	26 Å²	26	30.7 Å²	30.7	16%	0.16	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-62.4	143.9	176.6	51.1	0	0	0	0	111.9	R574 G631 G635 S640 V641	R574-T633 PolarHBondContact NH2-O 2.83Å; G631-T633 PolarHBondContact O-N 3.39Å; T633-G635 PolarHBondContact O-N 2.91Å; T633-S640 WeakPolarHBondContact CA-O 3.38Å; T633-V641 HydrophobicContact CG2-CG1 4.49Å
634	C	91.1	Very high	88.3	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.007	17%	0.166	C	C	.	.	S	Bend	trans	-68.8	-20.5	-178.5	-50.5	0	0	0	0	113.6	S640 C647	C634-S640 PolarHBondContact N-O 3.19Å; C634-S640 PolarHBondContact SG-O 3.3Å; C634-S640 VanDerWaalsContact SG-O 3.33Å; C634-C647 HydrophobicContact CB-CB 3.97Å; C634-C647 WeakPolarHBondContact CB-SG 3.38Å; C634-C647 WeakPolarHBondContact SG-CA 3.32Å; C634-C647 WeakPolarHBondContact SG-CB 3.3Å; C634-C647 CovalentContact SG-SG 2.04Å; C634-C647 PolarHBondContact SG-SG 2.84Å
635	G	87.6	Confident	88.2	Confident	8 Å²	8	29.2 Å²	29.2	8%	0.082	17%	0.168	C	C	.	.	S	Bend	trans	-179.6	162.2	-175.7	0	0	0	0	0	111.7	T633 D637 T638	T633-G635 PolarHBondContact O-N 2.91Å; G635-D637 VanDerWaalsContact C-N 3.34Å; G635-D637 PolarHBondContact O-N 2.9Å; G635-T638 PolarHBondContact N-OG1 3.38Å; G635-T638 VanDerWaalsContact N-OG1 3.17Å; G635-T638 PolarHBondContact O-N 3.37Å; G635-T638 PolarHBondContact O-OG1 3.09Å
636	P	80.8	Confident	88.3	Confident	13 Å²	13	26.7 Å²	26.7	8%	0.084	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-39	-172.7	22.7	-33.5	0	0	0	113.4	Y600 T638 V749 R766	Y600-P636 HydrophobicContact CD2-CG 4.28Å; Y600-P636 HydrophobicContact CE2-CG 4.4Å; P636-T638 VanDerWaalsContact C-N 3.31Å; P636-T638 PolarHBondContact O-N 2.95Å; P636-V749 HydrophobicContact CB-CB 3.86Å; P636-V749 HydrophobicContact CB-CG2 3.87Å; P636-V749 HydrophobicContact CG-CB 4.18Å; P636-V749 HydrophobicContact CG-CG1 4.32Å; P636-V749 HydrophobicContact CG-CG2 4.39Å; P636-R766 PolarHBondContact O-NE 3.23Å; P636-R766 PolarHBondContact O-NH2 3.43Å
637	D	76.9	Confident	88.8	Confident	64 Å²	64	24.1 Å²	24.1	34%	0.342	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.7	-176.5	-40.7	-17.6	0	0	0	113	G635 K751 F765	G635-D637 VanDerWaalsContact C-N 3.34Å; G635-D637 PolarHBondContact O-N 2.9Å; D637-K751 WeakPolarHBondContact OD1-CE 3.32Å; D637-K751 IonicContact OD1-NZ 2.68Å; D637-K751 WeakPolarHBondContact OD2-CD 3.49Å; D637-K751 VanDerWaalsContact OD2-CE 3.26Å; D637-K751 WeakPolarHBondContact OD2-CE 3.21Å; D637-K751 IonicContact OD2-NZ 2.85Å; D637-K751 PolarHBondContact OD2-NZ 2.99Å; D637-F765 HydrophobicContact CB-CD2 3.75Å; D637-F765 HydrophobicContact CB-CE2 4.01Å; D637-F765 VanDerWaalsContact CG-CD2 3.48Å; D637-F765 WeakPolarHBondContact OD1-CD2 3.48Å
638	T	84.4	Confident	88.9	Confident	35 Å²	35	22.2 Å²	22.2	22%	0.215	13%	0.131	C	C	.	.			trans	-110.2	139.6	-173.2	59.9	0	0	0	0	111.9	G635 P636 S640	G635-T638 PolarHBondContact N-OG1 3.38Å; G635-T638 VanDerWaalsContact N-OG1 3.17Å; G635-T638 PolarHBondContact O-N 3.37Å; G635-T638 PolarHBondContact O-OG1 3.09Å; P636-T638 VanDerWaalsContact C-N 3.31Å; P636-T638 PolarHBondContact O-N 2.95Å; T638-S640 VanDerWaalsContact C-N 3.26Å
639	T	85.7	Confident	88.7	Confident	35 Å²	35	27.2 Å²	27.2	22%	0.215	15%	0.153	C	C	.	.			trans	-82.7	-4.4	165.5	59.4	0	0	0	0	112.8	A650 C652 V662	T639-A650 CarbonylContact C-O 3.56Å; T639-A650 WeakPolarHBondContact CB-O 3.48Å; T639-A650 CarbonylContact O-C 3.45Å; T639-A650 WeakPolarHBondContact O-CB 3.49Å; T639-A650 PolarHBondContact OG1-O 2.97Å; T639-C652 HydrophobicContact CG2-CB 3.91Å; T639-V662 HydrophobicContact CG2-CG2 4.33Å
640	S	91.4	Very high	88.5	Confident	26 Å²	26	23.4 Å²	23.4	18%	0.182	13%	0.133	C	C	.	.			trans	-74.2	143.9	178.4	-58	0	0	0	0	111.2	T633 C634 T638 C647 V648	T633-S640 WeakPolarHBondContact CA-O 3.38Å; C634-S640 PolarHBondContact N-O 3.19Å; C634-S640 PolarHBondContact SG-O 3.3Å; C634-S640 VanDerWaalsContact SG-O 3.33Å; T638-S640 VanDerWaalsContact C-N 3.26Å; S640-C647 WeakPolarHBondContact CB-SG 3.46Å; S640-V648 CarbonylContact C-O 3.53Å; S640-V648 VanDerWaalsContact CA-O 3.3Å; S640-V648 WeakPolarHBondContact CA-O 3.06Å; S640-V648 VanDerWaalsContact CB-O 3.23Å; S640-V648 WeakPolarHBondContact CB-O 3.4Å
641	V	93.1	Very high	88.3	Confident	3 Å²	3	22.7 Å²	22.7	2%	0.018	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	153.7	-175.8	-64.3	0	0	0	0	110.9	T632 T633 V643 V648 A650 I656	T632-V641 CarbonylContact O-C 3.42Å; T633-V641 HydrophobicContact CG2-CG1 4.49Å; V641-V643 HydrophobicContact CG2-CG2 4.3Å; V641-V648 PolarHBondContact N-O 2.63Å; V641-V648 PolarHBondContact O-N 3.04Å; V641-A650 HydrophobicContact CG1-CB 4.28Å; V641-A650 HydrophobicContact CG2-CB 3.94Å; V641-I656 HydrophobicContact CG2-CG1 3.99Å
642	C	93.3	Very high	88	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	134	173.6	-62.4	0	0	0	0	110.3	R574 C609 V628 D630 G631 T632 Q646	R574-C642 PolarHBondContact NH2-SG 3.01Å; R574-C642 VanDerWaalsContact NH2-SG 3.44Å; C609-C642 VanDerWaalsContact CA-SG 3.52Å; C609-C642 HydrophobicContact CB-CB 3.68Å; C609-C642 WeakPolarHBondContact CB-SG 3.38Å; C609-C642 WeakPolarHBondContact SG-CA 3.37Å; C609-C642 WeakPolarHBondContact SG-CB 3.45Å; C609-C642 CovalentContact SG-SG 2.03Å; C609-C642 PolarHBondContact SG-SG 3.33Å; V628-C642 HydrophobicContact CG2-CB 3.52Å; V628-C642 WeakPolarHBondContact CG2-SG 3.23Å; D630-C642 CarbonylContact C-O 3.54Å; D630-C642 WeakPolarHBondContact CA-O 3.23Å; G631-C642 PolarHBondContact N-O 2.96Å; T632-C642 WeakPolarHBondContact O-CB 3.43Å; T632-C642 PolarHBondContact O-N 2.9Å; T632-C642 PolarHBondContact O-SG 3.15Å; T632-C642 VanDerWaalsContact O-SG 3.4Å; C642-Q646 CarbonylContact C-O 3.6Å; C642-Q646 VanDerWaalsContact CA-O 3.32Å; C642-Q646 WeakPolarHBondContact CA-O 3.29Å
643	V	90.4	Very high	87.8	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	118.9	174.5	-176.6	0	0	0	0	107.1	V531 Y557 D630 V641 G645 Q646 V648 I656	V531-V643 HydrophobicContact CG1-CG1 4.4Å; V531-V643 HydrophobicContact CG1-CG2 4.39Å; V531-V643 HydrophobicContact CG2-CG2 4.29Å; Y557-V643 HydrophobicContact CD1-CG1 3.37Å; Y557-V643 HydrophobicContact CD2-CG1 3.86Å; Y557-V643 HydrophobicContact CE1-CG1 3.61Å; Y557-V643 HydrophobicContact CE2-CG1 4.09Å; Y557-V643 HydrophobicContact CG-CG1 3.51Å; D630-V643 WeakPolarHBondContact OD1-CA 3.46Å; V641-V643 HydrophobicContact CG2-CG2 4.3Å; V643-G645 VanDerWaalsContact C-N 3.33Å; V643-G645 PolarHBondContact O-N 2.83Å; V643-Q646 PolarHBondContact N-O 3.46Å; V643-Q646 PolarHBondContact O-N 3Å; V643-V648 HydrophobicContact CB-CB 4.46Å; V643-V648 HydrophobicContact CB-CG2 3.86Å; V643-V648 HydrophobicContact CG2-CB 4.01Å; V643-V648 HydrophobicContact CG2-CG2 3.96Å; V643-I656 HydrophobicContact CG2-CD1 3.93Å
644	Q	83	Confident	87.7	Confident	44 Å²	44	25.8 Å²	25.8	21%	0.206	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.9	56.6	-171.7	-64.3	-53.6	-54.6	0	0	113.3	F203 N407 Y557 D630 Q646	F203-Q644 HydrophobicContact CE1-CB 3.85Å; F203-Q644 HydrophobicContact CE1-CG 4.45Å; F203-Q644 HydrophobicContact CZ-CB 4.15Å; N407-Q644 PolarHBondContact OD1-O 3.04Å; Y557-Q644 HydrophobicContact CE1-CG 3.94Å; Y557-Q644 VanDerWaalsContact OH-CG 3.23Å; Y557-Q644 WeakPolarHBondContact OH-CG 3.47Å; D630-Q644 PolarHBondContact OD1-N 3.35Å; D630-Q644 PolarHBondContact OD2-N 3.08Å; D630-Q644 PolarHBondContact OD2-NE2 3.42Å; Q644-Q646 PolarHBondContact O-N 3.33Å; Q644-Q646 VanDerWaalsContact O-N 3.11Å
645	G	85.4	Confident	87.7	Confident	16 Å²	16	28.5 Å²	28.5	17%	0.165	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	3	177.5	0	0	0	0	0	115.6	C609 V643	C609-G645 VanDerWaalsContact CB-C 3.46Å; C609-G645 WeakPolarHBondContact CB-O 3.42Å; V643-G645 VanDerWaalsContact C-N 3.33Å; V643-G645 PolarHBondContact O-N 2.83Å
646	Q	84.9	Confident	87.8	Confident	27 Å²	27	30.1 Å²	30.1	13%	0.126	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.6	178.2	-62.8	-178.5	37.8	0	0	112.6	D406 N407 C642 V643 Q644 V648	D406-Q646 PolarHBondContact O-NE2 3.08Å; N407-Q646 PolarHBondContact OD1-NE2 3.32Å; C642-Q646 CarbonylContact C-O 3.6Å; C642-Q646 VanDerWaalsContact CA-O 3.32Å; C642-Q646 WeakPolarHBondContact CA-O 3.29Å; V643-Q646 PolarHBondContact N-O 3.46Å; V643-Q646 PolarHBondContact O-N 3Å; Q644-Q646 PolarHBondContact O-N 3.33Å; Q644-Q646 VanDerWaalsContact O-N 3.11Å; Q646-V648 PolarHBondContact O-N 3.15Å
647	C	89.2	Confident	88	Confident	37 Å²	37	31.8 Å²	31.8	25%	0.25	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	120.9	172	-170.1	0	0	0	0	111	R202 C634 S640	R202-C647 PolarHBondContact NH1-O 3.29Å; C634-C647 HydrophobicContact CB-CB 3.97Å; C634-C647 WeakPolarHBondContact CB-SG 3.38Å; C634-C647 WeakPolarHBondContact SG-CA 3.32Å; C634-C647 WeakPolarHBondContact SG-CB 3.3Å; C634-C647 CovalentContact SG-SG 2.04Å; C634-C647 PolarHBondContact SG-SG 2.84Å; S640-C647 WeakPolarHBondContact CB-SG 3.46Å
648	V	89.1	Confident	88.6	Confident	29 Å²	29	29.8 Å²	29.8	18%	0.176	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.3	-179.6	177.6	0	0	0	0	109.9	S640 V641 V643 Q646 A650 I656	S640-V648 CarbonylContact C-O 3.53Å; S640-V648 VanDerWaalsContact CA-O 3.3Å; S640-V648 WeakPolarHBondContact CA-O 3.06Å; S640-V648 VanDerWaalsContact CB-O 3.23Å; S640-V648 WeakPolarHBondContact CB-O 3.4Å; V641-V648 PolarHBondContact N-O 2.63Å; V641-V648 PolarHBondContact O-N 3.04Å; V643-V648 HydrophobicContact CB-CB 4.46Å; V643-V648 HydrophobicContact CB-CG2 3.86Å; V643-V648 HydrophobicContact CG2-CB 4.01Å; V643-V648 HydrophobicContact CG2-CG2 3.96Å; Q646-V648 PolarHBondContact O-N 3.15Å; V648-A650 PolarHBondContact O-N 2.76Å; V648-I656 HydrophobicContact CG1-CG2 4.06Å
649	K	90.4	Very high	88.7	Confident	109 Å²	109	33.8 Å²	33.8	47%	0.474	20%	0.199	S	C	.	.			trans	-66.8	122.1	179.4	-176.6	-172.1	171.8	-170.3	0	110.7	G657 N659	K649-G657 PolarHBondContact O-N 3.4Å; K649-N659 PolarHBondContact NZ-OD1 3.41Å
650	A	90.9	Very high	88.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-125.8	160.7	164.4	0	0	0	0	0	110.1	T639 V641 V648 V655	T639-A650 CarbonylContact C-O 3.56Å; T639-A650 WeakPolarHBondContact CB-O 3.48Å; T639-A650 CarbonylContact O-C 3.45Å; T639-A650 WeakPolarHBondContact O-CB 3.49Å; T639-A650 PolarHBondContact OG1-O 2.97Å; V641-A650 HydrophobicContact CG1-CB 4.28Å; V641-A650 HydrophobicContact CG2-CB 3.94Å; V648-A650 PolarHBondContact O-N 2.76Å; A650-V655 VanDerWaalsContact CA-O 3.23Å; A650-V655 WeakPolarHBondContact CA-O 3.45Å; A650-V655 WeakPolarHBondContact CB-O 3.31Å
651	G	88.1	Confident	88.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.			trans	-80.9	173.9	174.3	0	0	0	0	0	112.3	D653 Q654 V655 S658 K660	G651-D653 VanDerWaalsContact C-OD1 3.32Å; G651-D653 VanDerWaalsContact CA-OD1 3.28Å; G651-D653 WeakPolarHBondContact CA-OD1 3.15Å; G651-D653 PolarHBondContact O-N 3.32Å; G651-D653 VanDerWaalsContact O-N 3.12Å; G651-Q654 PolarHBondContact O-N 3.28Å; G651-V655 PolarHBondContact N-O 3.13Å; G651-S658 PolarHBondContact N-O 2.49Å; G651-K660 CarbonylContact C-O 3.53Å; G651-K660 VanDerWaalsContact CA-O 3.27Å; G651-K660 WeakPolarHBondContact CA-O 3.47Å
652	C	87.8	Confident	88.2	Confident	25 Å²	25	48.4 Å²	48.4	17%	0.169	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.2	174	56.1	0	0	0	0	114.1	T639 K660 R661 V662 C668	T639-C652 HydrophobicContact CG2-CB 3.91Å; C652-K660 PolarHBondContact N-O 2.98Å; C652-K660 VanDerWaalsContact SG-CB 3.51Å; C652-R661 PolarHBondContact SG-O 2.81Å; C652-V662 HydrophobicContact CB-CG2 3.6Å; C652-C668 HydrophobicContact CB-CB 3.69Å; C652-C668 WeakPolarHBondContact CB-SG 3.26Å; C652-C668 WeakPolarHBondContact SG-CA 3.44Å; C652-C668 WeakPolarHBondContact SG-CB 3.37Å; C652-C668 CovalentContact SG-SG 2.04Å; C652-C668 PolarHBondContact SG-SG 2.8Å
653	D	89.8	Confident	87.9	Confident	32 Å²	32	49.5 Å²	49.5	17%	0.171	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	10.2	173.3	50.3	-1.5	0	0	0	112.7	G651 V655 S658 K660 C668	G651-D653 VanDerWaalsContact C-OD1 3.32Å; G651-D653 VanDerWaalsContact CA-OD1 3.28Å; G651-D653 WeakPolarHBondContact CA-OD1 3.15Å; G651-D653 PolarHBondContact O-N 3.32Å; G651-D653 VanDerWaalsContact O-N 3.12Å; D653-V655 HydrophobicContact CB-CG2 4.41Å; D653-V655 PolarHBondContact O-N 3.03Å; D653-S658 WeakPolarHBondContact OD1-CB 3.34Å; D653-S658 PolarHBondContact OD1-OG 3.43Å; D653-S658 PolarHBondContact OD2-OG 2.96Å; D653-K660 HydrophobicContact CB-CD 4.4Å; D653-K660 VanDerWaalsContact OD2-CD 3.24Å; D653-K660 WeakPolarHBondContact OD2-CD 3.16Å; D653-K660 VanDerWaalsContact OD2-CE 3.29Å; D653-K660 WeakPolarHBondContact OD2-CE 3.24Å; D653-K660 IonicContact OD2-NZ 2.68Å; D653-K660 PolarHBondContact OD2-NZ 3.25Å; D653-C668 PolarHBondContact N-SG 3.07Å
654	Q	88.8	Confident	87.7	Confident	36 Å²	36	54.2 Å²	54.2	17%	0.168	28%	0.282	C	S	.	.	S	Bend	trans	60.8	8.4	-176.2	-50.5	-72.6	46	0	0	114.6	G528 S559 T562 G651	G528-Q654 PolarHBondContact O-NE2 3.22Å; S559-Q654 WeakPolarHBondContact CB-O 3.4Å; S559-Q654 PolarHBondContact OG-O 3.33Å; T562-Q654 HydrophobicContact CG2-CB 4.25Å; G651-Q654 PolarHBondContact O-N 3.28Å
655	V	90.8	Very high	87.8	Confident	59 Å²	59	52.5 Å²	52.5	36%	0.358	28%	0.275	S	S	.	.			trans	-84.3	120.5	-179.2	175.8	0	0	0	0	110.5	S559 T562 A650 G651 D653 G657 S658	S559-V655 WeakPolarHBondContact OG-CA 3.4Å; T562-V655 HydrophobicContact CG2-CG2 4.47Å; A650-V655 VanDerWaalsContact CA-O 3.23Å; A650-V655 WeakPolarHBondContact CA-O 3.45Å; A650-V655 WeakPolarHBondContact CB-O 3.31Å; G651-V655 PolarHBondContact N-O 3.13Å; D653-V655 HydrophobicContact CB-CG2 4.41Å; D653-V655 PolarHBondContact O-N 3.03Å; V655-G657 PolarHBondContact O-N 3.33Å; V655-S658 WeakPolarHBondContact O-CB 3.44Å; V655-S658 PolarHBondContact O-N 2.92Å
656	I	89.6	Confident	87.7	Confident	41 Å²	41	53.3 Å²	53.3	21%	0.21	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-55.5	134	173.4	-72	166.3	0	0	0	109.8	V531 S559 V641 V643 V648 S658	V531-I656 HydrophobicContact CG1-CD1 4.08Å; V531-I656 HydrophobicContact CG2-CD1 3.92Å; S559-I656 PolarHBondContact OG-N 3.25Å; V641-I656 HydrophobicContact CG2-CG1 3.99Å; V643-I656 HydrophobicContact CG2-CD1 3.93Å; V648-I656 HydrophobicContact CG1-CG2 4.06Å; I656-S658 PolarHBondContact O-N 2.04Å
657	G	85.6	Confident	87.9	Confident	49 Å²	49	56.3 Å²	56.3	51%	0.505	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	-13.5	-176.8	0	0	0	0	0	115.5	K649 V655	K649-G657 PolarHBondContact O-N 3.4Å; V655-G657 PolarHBondContact O-N 3.33Å
658	S	88.4	Confident	87.9	Confident	21 Å²	21	57.4 Å²	57.4	15%	0.147	30%	0.304	C	S	.	.			trans	-60	147.8	178.1	177.1	0	0	0	0	112.3	G651 D653 V655 I656 K660	G651-S658 PolarHBondContact N-O 2.49Å; D653-S658 WeakPolarHBondContact OD1-CB 3.34Å; D653-S658 PolarHBondContact OD1-OG 3.43Å; D653-S658 PolarHBondContact OD2-OG 2.96Å; V655-S658 WeakPolarHBondContact O-CB 3.44Å; V655-S658 PolarHBondContact O-N 2.92Å; I656-S658 PolarHBondContact O-N 2.04Å; S658-K660 PolarHBondContact OG-N 2.85Å
659	N	87.5	Confident	87.8	Confident	120 Å²	120	58.6 Å²	58.6	64%	0.642	32%	0.323	S	S	*	.			trans	-102.7	-4.1	179.6	-68.8	-60.7	0	0	0	113.2	K649	K649-N659 PolarHBondContact NZ-OD1 3.41Å
660	K	87	Confident	87.7	Confident	110 Å²	110	54.6 Å²	54.6	48%	0.478	31%	0.313	S	S	.	.			trans	-63.5	137.9	179.1	-59.8	-168.1	-163.2	129.1	0	110.6	G651 C652 D653 S658	G651-K660 CarbonylContact C-O 3.53Å; G651-K660 VanDerWaalsContact CA-O 3.27Å; G651-K660 WeakPolarHBondContact CA-O 3.47Å; C652-K660 PolarHBondContact N-O 2.98Å; C652-K660 VanDerWaalsContact SG-CB 3.51Å; D653-K660 HydrophobicContact CB-CD 4.4Å; D653-K660 VanDerWaalsContact OD2-CD 3.24Å; D653-K660 WeakPolarHBondContact OD2-CD 3.16Å; D653-K660 VanDerWaalsContact OD2-CE 3.29Å; D653-K660 WeakPolarHBondContact OD2-CE 3.24Å; D653-K660 IonicContact OD2-NZ 2.68Å; D653-K660 PolarHBondContact OD2-NZ 3.25Å; S658-K660 PolarHBondContact OG-N 2.85Å
661	R	86.4	Confident	87.5	Confident	199 Å²	199	60.2 Å²	60.2	75%	0.751	34%	0.343	S	S	*	.			trans	-117.9	154.9	177.3	-63.6	-177.2	-177.7	-121.5	7.2	110.4	C652 G669	C652-R661 PolarHBondContact SG-O 2.81Å; R661-G669 PolarHBondContact O-N 3.37Å
662	V	85.6	Confident	87.4	Confident	61 Å²	61	60.5 Å²	60.5	37%	0.37	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-67.8	134.2	165	-171.2	0	0	0	0	107.7	T639 C652 G666 E667	T639-V662 HydrophobicContact CG2-CG2 4.33Å; C652-V662 HydrophobicContact CB-CG2 3.6Å; V662-G666 VanDerWaalsContact CG1-C 3.43Å; V662-E667 WeakPolarHBondContact CA-O 3.27Å
663	D	86.7	Confident	87.4	Confident	23 Å²	23	64.4 Å²	64.4	12%	0.123	36%	0.364	C	S	.	.			trans	-80.6	-172.9	178.7	83.3	-11.8	0	0	0	112.6	C665 G666 E667 G670 G672	D663-C665 PolarHBondContact O-N 3.41Å; D663-C665 VanDerWaalsContact OD1-CA 3.31Å; D663-C665 WeakPolarHBondContact OD1-CA 3.41Å; D663-C665 WeakPolarHBondContact OD1-CB 3.27Å; D663-C665 PolarHBondContact OD1-N 3.01Å; D663-G666 PolarHBondContact OD1-N 2.91Å; D663-E667 PolarHBondContact N-O 3.37Å; D663-E667 PolarHBondContact OD1-N 3.1Å; D663-G670 WeakPolarHBondContact CB-O 3.19Å; D663-G670 WeakPolarHBondContact OD2-CA 3.42Å; D663-G672 WeakPolarHBondContact OD2-CA 3.25Å; D663-G672 PolarHBondContact OD2-N 2.82Å
664	K	86.4	Confident	87.3	Confident	101 Å²	101	64.9 Å²	64.9	44%	0.439	37%	0.37	S	S	.	.	S	Bend	trans	-70.7	-13.2	179.5	74.6	-163.7	-178.3	-136.4	0	114.2	G672 N701 F793	K664-G672 WeakPolarHBondContact CE-O 3.48Å; K664-G672 PolarHBondContact NZ-O 3.12Å; K664-N701 VanDerWaalsContact C-ND2 3.34Å; K664-N701 VanDerWaalsContact CA-ND2 3.32Å; K664-N701 WeakPolarHBondContact CA-ND2 3.5Å; K664-N701 PolarHBondContact O-ND2 2.85Å; K664-F793 HydrophobicContact CB-CE1 4.36Å; K664-F793 HydrophobicContact CB-CZ 4.23Å; K664-F793 HydrophobicContact CD-CE1 4Å; K664-F793 HydrophobicContact CD-CZ 4.29Å; K664-F793 HydrophobicContact CG-CD1 4.38Å; K664-F793 HydrophobicContact CG-CE1 3.99Å; K664-F793 HydrophobicContact CG-CZ 4.33Å
665	C	86.1	Confident	87.4	Confident	8 Å²	8	63.8 Å²	63.8	5%	0.054	37%	0.366	C	S	.	.	S	Bend	trans	-99.2	-21.7	-177.9	-59.9	0	0	0	0	113.5	D663 G672 S674 C675 T700	D663-C665 PolarHBondContact O-N 3.41Å; D663-C665 VanDerWaalsContact OD1-CA 3.31Å; D663-C665 WeakPolarHBondContact OD1-CA 3.41Å; D663-C665 WeakPolarHBondContact OD1-CB 3.27Å; D663-C665 PolarHBondContact OD1-N 3.01Å; C665-G672 VanDerWaalsContact SG-C 3.52Å; C665-G672 VanDerWaalsContact SG-CA 3.56Å; C665-S674 WeakPolarHBondContact CB-OG 3.46Å; C665-S674 PolarHBondContact SG-OG 2.79Å; C665-C675 WeakPolarHBondContact CA-SG 3.4Å; C665-C675 HydrophobicContact CB-CB 3.54Å; C665-C675 WeakPolarHBondContact CB-SG 2.98Å; C665-C675 WeakPolarHBondContact SG-CB 3.19Å; C665-C675 PolarHBondContact SG-N 3.36Å; C665-C675 CovalentContact SG-SG 2.03Å; C665-C675 PolarHBondContact SG-SG 3.37Å; C665-T700 VanDerWaalsContact C-OG1 3.3Å; C665-T700 WeakPolarHBondContact O-CB 3.27Å; C665-T700 VanDerWaalsContact O-CG2 3.22Å; C665-T700 WeakPolarHBondContact O-CG2 3.43Å; C665-T700 PolarHBondContact O-OG1 2.04Å
666	G	83.6	Confident	87.5	Confident	33 Å²	33	66.1 Å²	66.1	34%	0.34	37%	0.368	S	S	.	.	S	Bend	trans	115.7	2	-177.1	0	0	0	0	0	114.3	V662 D663	V662-G666 VanDerWaalsContact CG1-C 3.43Å; D663-G666 PolarHBondContact OD1-N 2.91Å
667	E	88.5	Confident	87.5	Confident	90 Å²	90	69.9 Å²	69.9	42%	0.421	38%	0.383	S	S	.	.			trans	-94.9	136.2	-172.8	-73.1	166.7	-143.3	0	0	111.6	V662 D663 G669 G670 S674	V662-E667 WeakPolarHBondContact CA-O 3.27Å; D663-E667 PolarHBondContact N-O 3.37Å; D663-E667 PolarHBondContact OD1-N 3.1Å; E667-G669 PolarHBondContact O-N 2.77Å; E667-G670 PolarHBondContact O-N 2.94Å; E667-S674 WeakPolarHBondContact OE1-CB 3.39Å; E667-S674 PolarHBondContact OE1-OG 3.43Å
668	C	89.1	Confident	87.9	Confident	59 Å²	59	68.5 Å²	68.5	40%	0.399	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-76.6	113	180	178.4	0	0	0	0	111.3	C652 D653 G670	C652-C668 HydrophobicContact CB-CB 3.69Å; C652-C668 WeakPolarHBondContact CB-SG 3.26Å; C652-C668 WeakPolarHBondContact SG-CA 3.44Å; C652-C668 WeakPolarHBondContact SG-CB 3.37Å; C652-C668 CovalentContact SG-SG 2.04Å; C652-C668 PolarHBondContact SG-SG 2.8Å; D653-C668 PolarHBondContact N-SG 3.07Å; C668-G670 PolarHBondContact O-N 3.03Å
669	G	87.6	Confident	88.1	Confident	54 Å²	54	70.9 Å²	70.9	56%	0.557	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	15.7	-171.6	0	0	0	0	0	113.7	R661 E667	R661-G669 PolarHBondContact O-N 3.37Å; E667-G669 PolarHBondContact O-N 2.77Å
670	G	86.9	Confident	88.3	Confident	26 Å²	26	66.1 Å²	66.1	27%	0.268	36%	0.357	S	S	.	.			trans	-66.2	159.7	177.2	0	0	0	0	0	113.3	D663 E667 C668	D663-G670 WeakPolarHBondContact CB-O 3.19Å; D663-G670 WeakPolarHBondContact OD2-CA 3.42Å; E667-G670 PolarHBondContact O-N 2.94Å; C668-G670 PolarHBondContact O-N 3.03Å
671	N	86.4	Confident	88.6	Confident	118 Å²	118	65.1 Å²	65.1	63%	0.631	36%	0.364	S	S	*	.			trans	-93.7	1.9	179.9	61.2	16.9	0	0	0	113.3	L673	N671-L673 VanDerWaalsContact C-N 3.31Å; N671-L673 HydrophobicContact CB-CG 4.39Å; N671-L673 PolarHBondContact O-N 3.37Å; N671-L673 VanDerWaalsContact OD1-CB 3.24Å; N671-L673 WeakPolarHBondContact OD1-CB 3.46Å; N671-L673 WeakPolarHBondContact OD1-CG 3.34Å; N671-L673 PolarHBondContact OD1-N 2.84Å
672	G	86.4	Confident	88.9	Confident	5 Å²	5	57.3 Å²	57.3	5%	0.052	33%	0.334	C	S	.	.	S	Bend	trans	70.3	20.9	-177.4	0	0	0	0	0	114.7	D663 K664 C665	D663-G672 WeakPolarHBondContact OD2-CA 3.25Å; D663-G672 PolarHBondContact OD2-N 2.82Å; K664-G672 WeakPolarHBondContact CE-O 3.48Å; K664-G672 PolarHBondContact NZ-O 3.12Å; C665-G672 VanDerWaalsContact SG-C 3.52Å; C665-G672 VanDerWaalsContact SG-CA 3.56Å
673	L	87.3	Confident	89.1	Confident	107 Å²	107	59.4 Å²	59.4	56%	0.56	34%	0.344	S	S	*	.			trans	-103	-7.8	-177.5	-57.9	-178.4	0	0	0	114.6	N671 K796	N671-L673 VanDerWaalsContact C-N 3.31Å; N671-L673 HydrophobicContact CB-CG 4.39Å; N671-L673 PolarHBondContact O-N 3.37Å; N671-L673 VanDerWaalsContact OD1-CB 3.24Å; N671-L673 WeakPolarHBondContact OD1-CB 3.46Å; N671-L673 WeakPolarHBondContact OD1-CG 3.34Å; N671-L673 PolarHBondContact OD1-N 2.84Å; L673-K796 WeakPolarHBondContact O-CE 3.35Å; L673-K796 PolarHBondContact O-NZ 2.98Å
674	S	89.1	Confident	89	Confident	43 Å²	43	62.7 Å²	62.7	30%	0.301	36%	0.357	S	S	.	.	S	Bend	trans	-78.6	-26.1	179.2	58.9	0	0	0	0	114.1	C665 E667 K796	C665-S674 WeakPolarHBondContact CB-OG 3.46Å; C665-S674 PolarHBondContact SG-OG 2.79Å; E667-S674 WeakPolarHBondContact OE1-CB 3.39Å; E667-S674 PolarHBondContact OE1-OG 3.43Å; S674-K796 WeakPolarHBondContact O-CG 3.39Å; S674-K796 PolarHBondContact O-N 2.9Å; S674-K796 VanDerWaalsContact O-N 3.13Å
675	C	91.3	Very high	88.7	Confident	12 Å²	12	58 Å²	58	8%	0.081	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	171.2	-176.3	70.1	0	0	0	0	113.7	C665 F793 I794	C665-C675 WeakPolarHBondContact CA-SG 3.4Å; C665-C675 HydrophobicContact CB-CB 3.54Å; C665-C675 WeakPolarHBondContact CB-SG 2.98Å; C665-C675 WeakPolarHBondContact SG-CB 3.19Å; C665-C675 PolarHBondContact SG-N 3.36Å; C665-C675 CovalentContact SG-SG 2.03Å; C665-C675 PolarHBondContact SG-SG 3.37Å; C675-F793 HydrophobicContact CB-CB 4.28Å; C675-F793 VanDerWaalsContact SG-CD1 3.56Å; C675-I794 CarbonylContact C-O 3.56Å; C675-I794 WeakPolarHBondContact CA-O 3.42Å; C675-I794 VanDerWaalsContact CB-O 3.23Å; C675-I794 WeakPolarHBondContact CB-O 3.49Å
676	R	91.6	Very high	88.7	Confident	108 Å²	108	62.4 Å²	62.4	41%	0.408	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.5	172.1	58.8	-179.6	173.8	-172.9	-3.2	111.1	F793 I794 K796 T798	R676-F793 WeakPolarHBondContact O-CA 3.33Å; R676-I794 HydrophobicContact CG-CD1 4.47Å; R676-I794 HydrophobicContact CG-CG1 3.78Å; R676-I794 PolarHBondContact N-O 3.09Å; R676-I794 PolarHBondContact O-N 3.05Å; R676-K796 PolarHBondContact NE-O 2.85Å; R676-K796 PolarHBondContact NH2-O 2.94Å; R676-T798 PolarHBondContact NH2-O 3.2Å
677	K	91.1	Very high	88.9	Confident	120 Å²	120	68.6 Å²	68.6	52%	0.522	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	126.4	178.9	-165.1	176.1	-173.9	173.1	0	110.3	T679 F793	K677-T679 HydrophobicContact CD-CG2 4.22Å; K677-T679 HydrophobicContact CG-CG2 3.99Å; K677-F793 HydrophobicContact CB-CD1 3.94Å; K677-F793 HydrophobicContact CB-CE1 3.63Å; K677-F793 HydrophobicContact CB-CZ 4.13Å; K677-F793 HydrophobicContact CD-CE1 4.25Å; K677-F793 HydrophobicContact CD-CZ 3.93Å; K677-F793 HydrophobicContact CG-CD1 4.37Å; K677-F793 HydrophobicContact CG-CE1 3.9Å; K677-F793 HydrophobicContact CG-CE2 4.26Å; K677-F793 HydrophobicContact CG-CZ 3.84Å
678	I	93.1	Very high	89	Confident	21 Å²	21	64.7 Å²	64.7	11%	0.108	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.6	168.6	-56	-58.6	0	0	0	108.2	Y790 T791 F792 I794 F800	I678-Y790 HydrophobicContact CG2-CE2 4.46Å; I678-T791 VanDerWaalsContact O-CA 3.31Å; I678-T791 WeakPolarHBondContact O-CA 3.49Å; I678-F792 HydrophobicContact CB-CD1 4.48Å; I678-F792 HydrophobicContact CB-CD2 4.04Å; I678-F792 HydrophobicContact CB-CE1 4.23Å; I678-F792 HydrophobicContact CB-CE2 3.77Å; I678-F792 HydrophobicContact CB-CG 4.39Å; I678-F792 HydrophobicContact CB-CZ 3.88Å; I678-F792 HydrophobicContact CG1-CD2 4.27Å; I678-F792 HydrophobicContact CG1-CE2 3.86Å; I678-F792 HydrophobicContact CG1-CZ 4.33Å; I678-F792 HydrophobicContact CG2-CE1 3.88Å; I678-F792 HydrophobicContact CG2-CE2 3.97Å; I678-F792 HydrophobicContact CG2-CZ 3.56Å; I678-F792 PolarHBondContact N-O 2.9Å; I678-F792 PolarHBondContact O-N 3.36Å; I678-I794 HydrophobicContact CD1-CD1 3.83Å; I678-I794 HydrophobicContact CD1-CG1 4.17Å; I678-I794 HydrophobicContact CG1-CD1 3.84Å; I678-I794 HydrophobicContact CG1-CG1 3.9Å; I678-I794 HydrophobicContact CG1-CG2 4.32Å; I678-F800 HydrophobicContact CD1-CD1 4.06Å; I678-F800 HydrophobicContact CD1-CG 4.47Å; I678-F800 HydrophobicContact CG1-CD1 4.48Å; I678-F800 HydrophobicContact CG2-CD1 4.21Å; I678-F800 HydrophobicContact CG2-CE1 3.64Å; I678-F800 HydrophobicContact CG2-CZ 3.95Å
679	T	93.2	Very high	89.2	Confident	71 Å²	71	64.1 Å²	64.1	44%	0.436	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.4	176.7	68.5	0	0	0	0	111	K677 Y790 T791 K802	K677-T679 HydrophobicContact CD-CG2 4.22Å; K677-T679 HydrophobicContact CG-CG2 3.99Å; T679-Y790 WeakPolarHBondContact CA-O 3.46Å; T679-T791 HydrophobicContact CG2-CG2 3.8Å; T679-K802 WeakPolarHBondContact O-CE 3.43Å; T679-K802 PolarHBondContact O-NZ 3.45Å
680	G	90.9	Very high	89.4	Confident	19 Å²	19	62.1 Å²	62.1	20%	0.196	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.8	178.3	172.9	0	0	0	0	0	113.3	K789 Y790	G680-K789 WeakPolarHBondContact O-CA 3.42Å; G680-Y790 PolarHBondContact N-O 3.4Å; G680-Y790 PolarHBondContact O-N 2.56Å
681	S	93.1	Very high	89.6	Confident	89 Å²	89	65.5 Å²	65.5	62%	0.622	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	155.1	-180	53	0	0	0	0	111	I788	S681-I788 CarbonylContact C-O 3.49Å; S681-I788 WeakPolarHBondContact CA-O 3.41Å; S681-I788 VanDerWaalsContact CB-O 3.32Å; S681-I788 WeakPolarHBondContact CB-O 3.34Å
682	Y	92.4	Very high	90	Very high	35 Å²	35	60.3 Å²	60.3	14%	0.137	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	134.4	179.4	-172.2	-81.1	0	0	0	110.8	K684 S690 I692 V776 P786 I788	Y682-K684 HydrophobicContact CE1-CB 4.28Å; Y682-K684 VanDerWaalsContact CE1-O 3.29Å; Y682-K684 WeakPolarHBondContact CE1-O 3.15Å; Y682-S690 VanDerWaalsContact OH-CB 3.25Å; Y682-S690 WeakPolarHBondContact OH-CB 3.49Å; Y682-I692 HydrophobicContact CD1-CG1 4.13Å; Y682-I692 HydrophobicContact CD2-CB 4.4Å; Y682-I692 HydrophobicContact CD2-CG1 4.1Å; Y682-I692 HydrophobicContact CD2-CG2 4.37Å; Y682-I692 HydrophobicContact CG-CB 4.48Å; Y682-I692 HydrophobicContact CG-CG1 3.89Å; Y682-I692 HydrophobicContact CG-CG2 4.27Å; Y682-V776 HydrophobicContact CD1-CG1 4.08Å; Y682-V776 HydrophobicContact CE1-CG1 3.76Å; Y682-P786 HydrophobicContact CD1-CG 4.13Å; Y682-P786 HydrophobicContact CE1-CG 4.25Å; Y682-I788 PolarHBondContact N-O 2.93Å; Y682-I788 PolarHBondContact O-N 2.76Å
683	N	90.1	Very high	90.3	Very high	105 Å²	105	60.7 Å²	60.7	56%	0.561	31%	0.31	S	S	*	.			trans	-147.8	14.7	-166	68	-20.7	0	0	0	115.9	P785 P786	N683-P785 WeakPolarHBondContact O-CB 3.44Å; N683-P786 VanDerWaalsContact CA-O 3.28Å; N683-P786 WeakPolarHBondContact CA-O 3.48Å
684	K	85.5	Confident	90.7	Very high	93 Å²	93	59 Å²	59	40%	0.404	30%	0.304	S	S	.	.			trans	-98.4	128	-177.6	-62.3	175.3	-173.6	171	0	109.7	Y682 I686 P786 E805	Y682-K684 HydrophobicContact CE1-CB 4.28Å; Y682-K684 VanDerWaalsContact CE1-O 3.29Å; Y682-K684 WeakPolarHBondContact CE1-O 3.15Å; K684-I686 PolarHBondContact O-N 3.29Å; K684-P786 WeakPolarHBondContact O-CG 3.25Å; K684-E805 IonicContact NZ-OE1 2.75Å; K684-E805 PolarHBondContact NZ-OE1 3.38Å
685	G	79.6	Confident	90.9	Very high	2 Å²	2	56.9 Å²	56.9	2%	0.021	29%	0.289	C	S	.	.			trans	-94.8	60.9	-174.2	0	0	0	0	0	112.8	Y687 G781 D782	G685-Y687 PolarHBondContact O-N 3.37Å; G685-G781 CarbonylContact O-C 3.56Å; G685-G781 WeakPolarHBondContact O-CA 3.44Å; G685-D782 VanDerWaalsContact CA-OD1 3.23Å; G685-D782 WeakPolarHBondContact CA-OD1 3.5Å; G685-D782 PolarHBondContact N-OD1 2.78Å; G685-D782 PolarHBondContact O-N 3.15Å
686	I	85.8	Confident	91	Very high	101 Å²	101	57.6 Å²	57.6	52%	0.518	29%	0.293	S	S	.	.			trans	-79.1	121.5	175.9	-54.7	175.4	0	0	0	108.8	K684 G688	K684-I686 PolarHBondContact O-N 3.29Å; I686-G688 PolarHBondContact O-N 2.82Å
687	Y	88.6	Confident	91	Very high	162 Å²	162	57.1 Å²	57.1	64%	0.635	30%	0.298	S	S	*	.	S	Bend	trans	-57	131.7	179.6	178.5	-89.2	0	0	0	112	G685 A778 T779	G685-Y687 PolarHBondContact O-N 3.37Å; Y687-A778 WeakPolarHBondContact CA-O 3.25Å; Y687-T779 WeakPolarHBondContact CD2-O 3.37Å; Y687-T779 WeakPolarHBondContact CE2-O 3.3Å
688	G	90.4	Very high	90.9	Very high	8 Å²	8	51.9 Å²	51.9	8%	0.082	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	94.7	-151.4	-172.7	0	0	0	0	0	112.5	I686 L777 A778	I686-G688 PolarHBondContact O-N 2.82Å; G688-L777 CarbonylContact O-C 3.59Å; G688-L777 WeakPolarHBondContact O-CA 3.49Å; G688-A778 PolarHBondContact N-O 3.13Å; G688-A778 PolarHBondContact O-N 2.85Å
689	Y	92.3	Very high	90.8	Very high	48 Å²	48	50.9 Å²	50.9	19%	0.188	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.9	-176.1	-71.9	-90.7	0	0	0	112	A720 Y728 N731 G732 N733 F734 V776 L777	Y689-A720 HydrophobicContact CD1-CB 4.16Å; Y689-A720 HydrophobicContact CE1-CB 3.77Å; Y689-Y728 AromaticContact CD1-CE1 3.84Å; Y689-Y728 HydrophobicContact CD1-CE1 3.84Å; Y689-Y728 HydrophobicContact CE1-CD1 4.49Å; Y689-Y728 AromaticContact CE1-CE1 3.63Å; Y689-Y728 HydrophobicContact CE1-CE1 3.63Å; Y689-N731 VanDerWaalsContact CE1-O 3.26Å; Y689-N731 WeakPolarHBondContact CE1-O 3.48Å; Y689-N731 PolarHBondContact OH-O 3.38Å; Y689-G732 WeakPolarHBondContact OH-CA 3.45Å; Y689-N733 PolarHBondContact OH-N 3.33Å; Y689-F734 HydrophobicContact CD2-CE2 4.47Å; Y689-F734 HydrophobicContact CD2-CZ 4.32Å; Y689-F734 HydrophobicContact CE2-CD1 4.41Å; Y689-F734 HydrophobicContact CE2-CD2 4.11Å; Y689-F734 HydrophobicContact CE2-CE1 4.38Å; Y689-F734 HydrophobicContact CE2-CE2 4.06Å; Y689-F734 HydrophobicContact CE2-CG 4.28Å; Y689-F734 HydrophobicContact CE2-CZ 4.2Å; Y689-F734 WeakPolarHBondContact OH-CA 3.06Å; Y689-F734 PolarHBondContact OH-N 3.47Å; Y689-V776 CarbonylContact C-O 3.58Å; Y689-V776 WeakPolarHBondContact CA-O 3.27Å; Y689-L777 HydrophobicContact CD1-CB 4.11Å; Y689-L777 HydrophobicContact CD2-CD1 4.05Å; Y689-L777 HydrophobicContact CE1-CB 3.87Å; Y689-L777 HydrophobicContact CE1-CD1 4.47Å; Y689-L777 HydrophobicContact CE1-CD2 4.45Å; Y689-L777 HydrophobicContact CE1-CG 4.48Å; Y689-L777 HydrophobicContact CE2-CD1 3.87Å; Y689-L777 HydrophobicContact CE2-CD2 4.5Å; Y689-L777 HydrophobicContact CG-CD1 4.43Å
690	S	92.1	Very high	90.8	Very high	11 Å²	11	47.6 Å²	47.6	8%	0.077	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.8	176.1	-67.5	0	0	0	0	112.7	Y682 Q775 V776	Y682-S690 VanDerWaalsContact OH-CB 3.25Å; Y682-S690 WeakPolarHBondContact OH-CB 3.49Å; S690-Q775 CarbonylContact O-C 3.59Å; S690-Q775 WeakPolarHBondContact O-CA 3.24Å; S690-Q775 WeakPolarHBondContact O-CB 3.07Å; S690-V776 PolarHBondContact N-O 2.82Å; S690-V776 PolarHBondContact O-N 2.92Å
691	D	92.4	Very high	90.7	Very high	98 Å²	98	48.5 Å²	48.5	52%	0.524	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.4	175.4	-70.3	-8.8	0	0	0	111.7	T773 Q775	D691-T773 HydrophobicContact CB-CG2 4.42Å; D691-Q775 VanDerWaalsContact OD1-CG 3.31Å; D691-Q775 WeakPolarHBondContact OD1-CG 3.07Å; D691-Q775 PolarHBondContact OD1-NE2 2.82Å
692	I	93.3	Very high	90.8	Very high	9 Å²	9	44.4 Å²	44.4	5%	0.046	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-53.5	179.1	-61.8	157.3	0	0	0	110.7	Y682 L719 I774 V776 I788 Y790	Y682-I692 HydrophobicContact CD1-CG1 4.13Å; Y682-I692 HydrophobicContact CD2-CB 4.4Å; Y682-I692 HydrophobicContact CD2-CG1 4.1Å; Y682-I692 HydrophobicContact CD2-CG2 4.37Å; Y682-I692 HydrophobicContact CG-CB 4.48Å; Y682-I692 HydrophobicContact CG-CG1 3.89Å; Y682-I692 HydrophobicContact CG-CG2 4.27Å; I692-L719 HydrophobicContact CD1-CD2 4.3Å; I692-I774 WeakPolarHBondContact CB-O 3.46Å; I692-I774 HydrophobicContact CD1-CG2 4.11Å; I692-I774 PolarHBondContact N-O 2.88Å; I692-V776 HydrophobicContact CD1-CB 3.99Å; I692-V776 HydrophobicContact CD1-CG1 4.14Å; I692-V776 HydrophobicContact CG1-CG1 4.25Å; I692-I788 HydrophobicContact CD1-CD1 3.48Å; I692-I788 VanDerWaalsContact CD1-CD1 3.48Å; I692-I788 HydrophobicContact CD1-CG2 4.4Å; I692-I788 HydrophobicContact CG1-CD1 4.37Å; I692-Y790 HydrophobicContact CG2-CD1 3.71Å; I692-Y790 HydrophobicContact CG2-CE1 3.69Å
693	V	94.1	Very high	90.8	Very high	12 Å²	12	43.9 Å²	43.9	7%	0.073	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	139.2	-178.1	63.8	0	0	0	0	110.4	I695 I774 Y790 F792 F800	V693-I695 HydrophobicContact CG1-CG1 4.25Å; V693-I774 HydrophobicContact CG1-CB 4.1Å; V693-I774 HydrophobicContact CG1-CG1 4.01Å; V693-I774 PolarHBondContact N-O 2.77Å; V693-I774 PolarHBondContact O-N 3.06Å; V693-Y790 HydrophobicContact CB-CE1 4.14Å; V693-Y790 HydrophobicContact CB-CE2 4.25Å; V693-Y790 HydrophobicContact CG1-CD1 4.13Å; V693-Y790 HydrophobicContact CG1-CD2 4.22Å; V693-Y790 HydrophobicContact CG1-CE1 4.18Å; V693-Y790 HydrophobicContact CG1-CE2 4.29Å; V693-Y790 HydrophobicContact CG1-CG 4.14Å; V693-Y790 HydrophobicContact CG2-CE2 4.09Å; V693-F792 HydrophobicContact CG2-CE1 3.97Å; V693-F792 HydrophobicContact CG2-CZ 4.04Å; V693-F800 HydrophobicContact CG2-CE2 4.25Å; V693-F800 HydrophobicContact CG2-CZ 3.84Å
694	T	94.3	Very high	91.1	Very high	71 Å²	71	38.9 Å²	38.9	44%	0.436	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	121.9	163.6	-54.2	0	0	0	0	108.5	I772 T773	T694-I772 CarbonylContact C-O 3.57Å; T694-I772 WeakPolarHBondContact CA-O 3.07Å; T694-T773 PolarHBondContact OG1-OG1 3.41Å
695	I	94.3	Very high	91.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.2	177.1	-52.9	-175.6	0	0	0	107.4	V693 A699 I702 I704 L768 A771 I772 I774 F792	V693-I695 HydrophobicContact CG1-CG1 4.25Å; I695-A699 HydrophobicContact CG2-CB 3.47Å; I695-A699 VanDerWaalsContact CG2-CB 3.47Å; I695-I702 HydrophobicContact CD1-CD1 4.23Å; I695-I702 HydrophobicContact CD1-CG1 4.23Å; I695-I702 HydrophobicContact CD1-CG2 3.69Å; I695-I702 HydrophobicContact CG2-CD1 3.95Å; I695-I702 HydrophobicContact CG2-CG1 4.26Å; I695-I704 HydrophobicContact CD1-CD1 4.1Å; I695-L768 HydrophobicContact CB-CD1 4.22Å; I695-L768 HydrophobicContact CG2-CD1 3.72Å; I695-A771 WeakPolarHBondContact O-CA 3.2Å; I695-I772 HydrophobicContact CB-CG1 4.06Å; I695-I772 PolarHBondContact N-O 3.05Å; I695-I772 PolarHBondContact O-N 3.41Å; I695-I772 VanDerWaalsContact O-N 3.11Å; I695-I774 HydrophobicContact CD1-CD1 4.1Å; I695-I774 HydrophobicContact CD1-CG1 3.86Å; I695-I774 HydrophobicContact CG1-CG1 4.08Å; I695-F792 HydrophobicContact CD1-CD1 4.15Å; I695-F792 HydrophobicContact CD1-CE1 4.39Å; I695-F792 HydrophobicContact CG1-CD1 4.25Å; I695-F792 HydrophobicContact CG1-CE1 4.03Å; I695-F792 HydrophobicContact CG1-CZ 4.3Å; I695-F792 HydrophobicContact CG2-CD2 4.02Å; I695-F792 HydrophobicContact CG2-CE2 4.14Å; I695-F792 HydrophobicContact CG2-CG 4.25Å; I695-F792 HydrophobicContact CG2-CZ 4.47Å
696	P	93.2	Very high	92.2	Very high	26 Å²	26	38 Å²	38	17%	0.169	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-79	164.9	-173.1	32.8	-36.4	0	0	0	112.9	A699 I794 T798	P696-A699 WeakPolarHBondContact O-CB 3.45Å; P696-A699 PolarHBondContact O-N 2.87Å; P696-I794 HydrophobicContact CG-CG2 3.83Å; P696-T798 HydrophobicContact CB-CG2 4.46Å; P696-T798 HydrophobicContact CG-CG2 4.27Å
697	I	90.4	Very high	92.4	Very high	98 Å²	98	40.5 Å²	40.5	50%	0.503	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	143.3	165.2	-59.5	174.8	0	0	0	109.6	A699 A771	I697-A699 VanDerWaalsContact C-N 3.3Å; I697-A699 PolarHBondContact O-N 3.36Å; I697-A771 HydrophobicContact CG1-CB 4.34Å
698	G	89.2	Confident	92.1	Very high	11 Å²	11	33.2 Å²	33.2	11%	0.113	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	-6.6	-178.4	0	0	0	0	0	114.8	Q767 L768	G698-Q767 PolarHBondContact O-NE2 3.45Å; G698-Q767 VanDerWaalsContact O-NE2 3.11Å; G698-L768 PolarHBondContact N-O 3.36Å
699	A	92.5	Very high	91.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.			trans	-71.5	149.5	178.4	0	0	0	0	0	113.4	I695 P696 I697 Q767 L768 F792 F793 I794	I695-A699 HydrophobicContact CG2-CB 3.47Å; I695-A699 VanDerWaalsContact CG2-CB 3.47Å; P696-A699 WeakPolarHBondContact O-CB 3.45Å; P696-A699 PolarHBondContact O-N 2.87Å; I697-A699 VanDerWaalsContact C-N 3.3Å; I697-A699 PolarHBondContact O-N 3.36Å; A699-Q767 WeakPolarHBondContact O-CA 3.41Å; A699-L768 HydrophobicContact CB-CD1 4.36Å; A699-L768 HydrophobicContact CB-CG 4.45Å; A699-L768 PolarHBondContact O-N 2.93Å; A699-F792 HydrophobicContact CB-CD2 4.26Å; A699-F793 CarbonylContact C-O 3.57Å; A699-F793 WeakPolarHBondContact CA-O 3.44Å; A699-F793 WeakPolarHBondContact CB-O 3.45Å; A699-I794 HydrophobicContact CB-CG2 4.05Å
700	T	92.1	Very high	90.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	164.7	-176.2	43.5	0	0	0	0	112.7	C665 I702 Q767 F793	C665-T700 VanDerWaalsContact C-OG1 3.3Å; C665-T700 WeakPolarHBondContact O-CB 3.27Å; C665-T700 VanDerWaalsContact O-CG2 3.22Å; C665-T700 WeakPolarHBondContact O-CG2 3.43Å; C665-T700 PolarHBondContact O-OG1 2.04Å; T700-I702 VanDerWaalsContact C-N 3.33Å; T700-I702 PolarHBondContact O-N 3.01Å; T700-Q767 HydrophobicContact CG2-CB 3.67Å; T700-Q767 HydrophobicContact CG2-CG 4.01Å; T700-F793 PolarHBondContact N-O 3.36Å; T700-F793 PolarHBondContact O-N 2.82Å
701	N	90.2	Very high	89.3	Confident	39 Å²	39	44 Å²	44	21%	0.209	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	46.2	53.3	178.9	-75	-47.4	0	0	0	113.6	K664 S764 F765 F793	K664-N701 VanDerWaalsContact C-ND2 3.34Å; K664-N701 VanDerWaalsContact CA-ND2 3.32Å; K664-N701 WeakPolarHBondContact CA-ND2 3.5Å; K664-N701 PolarHBondContact O-ND2 2.85Å; N701-S764 CarbonylContact C-O 3.36Å; N701-S764 VanDerWaalsContact CA-O 3.28Å; N701-S764 WeakPolarHBondContact CA-O 3.43Å; N701-S764 PolarHBondContact N-O 2.93Å; N701-F765 WeakPolarHBondContact OD1-CD1 3.38Å; N701-F793 HydrophobicContact CB-CD2 3.81Å; N701-F793 HydrophobicContact CB-CE2 4.16Å
702	I	93.3	Very high	88.3	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	127.3	177.1	-61.2	164.8	0	0	0	108.8	I695 T700 I704 Q763 S764 L768 F792	I695-I702 HydrophobicContact CD1-CD1 4.23Å; I695-I702 HydrophobicContact CD1-CG1 4.23Å; I695-I702 HydrophobicContact CD1-CG2 3.69Å; I695-I702 HydrophobicContact CG2-CD1 3.95Å; I695-I702 HydrophobicContact CG2-CG1 4.26Å; T700-I702 VanDerWaalsContact C-N 3.33Å; T700-I702 PolarHBondContact O-N 3.01Å; I702-I704 HydrophobicContact CG2-CD1 3.85Å; I702-I704 HydrophobicContact CG2-CG1 3.99Å; I702-Q763 CarbonylContact O-C 3.56Å; I702-Q763 VanDerWaalsContact O-CA 3.26Å; I702-Q763 WeakPolarHBondContact O-CA 3.42Å; I702-S764 PolarHBondContact N-O 3.31Å; I702-S764 PolarHBondContact O-N 3.13Å; I702-L768 HydrophobicContact CD1-CD1 3.74Å; I702-L768 HydrophobicContact CD1-CD2 3.82Å; I702-L768 HydrophobicContact CD1-CG 3.78Å; I702-F792 HydrophobicContact CB-CB 4.42Å; I702-F792 HydrophobicContact CG1-CB 3.88Å
703	D	94.4	Very high	86.9	Confident	23 Å²	23	48.6 Å²	48.6	12%	0.123	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	112.9	175.1	-178.1	25.1	0	0	0	109.4	K705 R761 Y790 T791	D703-K705 WeakPolarHBondContact OD1-CE 3.44Å; D703-K705 IonicContact OD1-NZ 2.72Å; D703-K705 WeakPolarHBondContact OD2-CE 3.11Å; D703-K705 IonicContact OD2-NZ 3.19Å; D703-K705 PolarHBondContact OD2-NZ 2.92Å; D703-R761 IonicContact OD1-CZ 3.83Å; D703-R761 IonicContact OD1-NE 3.86Å; D703-R761 PolarHBondContact OD1-NE 2.87Å; D703-R761 IonicContact OD1-NH2 2.64Å; D703-R761 PolarHBondContact OD1-NH2 2.99Å; D703-R761 IonicContact OD2-CZ 2.74Å; D703-R761 IonicContact OD2-NH2 2.71Å; D703-R761 PolarHBondContact OD2-NH2 3.19Å; D703-Y790 WeakPolarHBondContact O-CA 3.31Å; D703-T791 PolarHBondContact N-O 3.06Å; D703-T791 PolarHBondContact O-N 3.26Å
704	I	96.3	Very high	86	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.4	-176.7	-52.2	160.8	0	0	0	107	I695 I702 L719 R761 I762 I774 I788	I695-I704 HydrophobicContact CD1-CD1 4.1Å; I702-I704 HydrophobicContact CG2-CD1 3.85Å; I702-I704 HydrophobicContact CG2-CG1 3.99Å; I704-L719 HydrophobicContact CG2-CD1 4.01Å; I704-L719 HydrophobicContact CG2-CD2 4.01Å; I704-R761 CarbonylContact O-C 3.47Å; I704-R761 VanDerWaalsContact O-CA 3.26Å; I704-R761 WeakPolarHBondContact O-CA 3.19Å; I704-R761 VanDerWaalsContact O-CG 3.27Å; I704-R761 WeakPolarHBondContact O-CG 3.28Å; I704-I762 HydrophobicContact CB-CB 4.22Å; I704-I762 HydrophobicContact CD1-CB 4.16Å; I704-I762 HydrophobicContact CD1-CG2 4.23Å; I704-I762 PolarHBondContact N-O 2.92Å; I704-I762 PolarHBondContact O-N 3.08Å; I704-I774 HydrophobicContact CD1-CB 4.44Å; I704-I774 HydrophobicContact CD1-CD1 3.53Å; I704-I774 HydrophobicContact CD1-CG1 3.64Å; I704-I774 HydrophobicContact CD1-CG2 3.97Å; I704-I774 HydrophobicContact CG2-CG2 4.24Å; I704-I788 HydrophobicContact CG2-CG2 4.19Å
705	K	94.8	Very high	85.3	Confident	73 Å²	73	49.3 Å²	49.3	32%	0.317	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	118.4	-172.6	-75.3	158.2	172.3	154.2	0	109.8	D703 L759 R761 I788 K789	D703-K705 WeakPolarHBondContact OD1-CE 3.44Å; D703-K705 IonicContact OD1-NZ 2.72Å; D703-K705 WeakPolarHBondContact OD2-CE 3.11Å; D703-K705 IonicContact OD2-NZ 3.19Å; D703-K705 PolarHBondContact OD2-NZ 2.92Å; K705-L759 HydrophobicContact CB-CD1 3.98Å; K705-L759 HydrophobicContact CG-CD1 4.2Å; K705-R761 VanDerWaalsContact CE-NH2 3.34Å; K705-R761 HydrophobicContact CG-CG 3.97Å; K705-I788 CarbonylContact O-C 3.59Å; K705-I788 VanDerWaalsContact O-CA 3.26Å; K705-I788 WeakPolarHBondContact O-CA 3.16Å; K705-K789 PolarHBondContact N-O 2.84Å; K705-K789 PolarHBondContact O-N 2.85Å
706	Q	92.2	Very high	84.9	Confident	3 Å²	3	49.6 Å²	49.6	1%	0.014	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	114.8	165.6	165	48.5	1.5	0	0	108.3	L719 L759 E760 K787 I788	Q706-L719 HydrophobicContact CB-CD1 3.99Å; Q706-L719 HydrophobicContact CB-CD2 4.22Å; Q706-L719 HydrophobicContact CB-CG 3.86Å; Q706-L759 CarbonylContact O-C 3.57Å; Q706-L759 WeakPolarHBondContact O-CA 3.47Å; Q706-E760 HydrophobicContact CB-CB 4.2Å; Q706-E760 HydrophobicContact CG-CB 4.42Å; Q706-E760 WeakPolarHBondContact CG-OE2 3.22Å; Q706-E760 PolarHBondContact N-O 2.87Å; Q706-E760 PolarHBondContact O-N 3.48Å; Q706-K787 VanDerWaalsContact OE1-C 3.27Å; Q706-I788 HydrophobicContact CB-CG1 4.01Å; Q706-I788 HydrophobicContact CG-CG1 4.37Å; Q706-I788 VanDerWaalsContact OE1-CG1 3.29Å
707	R	90.1	Very high	84.8	Confident	153 Å²	153	48.5 Å²	48.5	58%	0.577	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.6	176.9	173.3	174.8	-84.6	-177	-5.1	109.5	L759 K787	R707-L759 HydrophobicContact CB-CD1 4.16Å; R707-K787 PolarHBondContact N-O 3.09Å; R707-K787 WeakPolarHBondContact O-CB 3.38Å
708	S	81.8	Confident	85	Confident	10 Å²	10	45.2 Å²	45.2	7%	0.07	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-66.9	147.8	-174.5	73.1	0	0	0	0	113.6	R710 G711 I712 D715 T758	S708-R710 PolarHBondContact O-N 3.37Å; S708-G711 PolarHBondContact O-N 3.19Å; S708-I712 WeakPolarHBondContact CB-O 3.17Å; S708-I712 PolarHBondContact OG-O 2.81Å; S708-D715 WeakPolarHBondContact CA-OD2 3.19Å; S708-T758 PolarHBondContact N-O 3.12Å
709	H	76.7	Confident	85.2	Confident	30 Å²	30	44.7 Å²	44.7	14%	0.139	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-62.9	123.6	-179.9	-164.3	94.9	0	0	0	110.8	G711 I712 D715 K787	H709-G711 PolarHBondContact O-N 3.27Å; H709-I712 WeakPolarHBondContact O-CB 3.37Å; H709-I712 WeakPolarHBondContact O-CG1 3.03Å; H709-I712 PolarHBondContact O-N 3.34Å; H709-I712 VanDerWaalsContact O-N 3.08Å; H709-D715 HydrophobicContact CB-CB 4.24Å; H709-D715 PolarHBondContact N-OD2 3.36Å; H709-K787 PolarHBondContact ND1-NZ 1.86Å; H709-K787 VanDerWaalsContact ND1-NZ 3.17Å
710	R	72.6	Confident	85.4	Confident	216 Å²	216	44.7 Å²	44.7	82%	0.815	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	54.7	18.5	-178.5	-61.6	172.8	-168.7	-149.5	-0.1	115	S708 I712	S708-R710 PolarHBondContact O-N 3.37Å; R710-I712 VanDerWaalsContact C-N 3.27Å; R710-I712 HydrophobicContact CB-CD1 4.49Å; R710-I712 PolarHBondContact O-N 2.95Å
711	G	66.4	Low	85.5	Confident	46 Å²	46	44.6 Å²	44.6	47%	0.474	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	75.2	11.9	-177.3	0	0	0	0	0	114.5	S708 H709 K713 T758	S708-G711 PolarHBondContact O-N 3.19Å; H709-G711 PolarHBondContact O-N 3.27Å; G711-K713 PolarHBondContact O-N 3.49Å; G711-T758 VanDerWaalsContact O-CG2 3.28Å; G711-T758 WeakPolarHBondContact O-CG2 3.47Å
712	I	71.9	Confident	85.7	Confident	81 Å²	81	45.5 Å²	45.5	42%	0.415	21%	0.21	S	C	.	.			trans	-62.6	131.1	172.9	-64.5	168.4	0	0	0	108.5	S708 H709 R710 D715	S708-I712 WeakPolarHBondContact CB-O 3.17Å; S708-I712 PolarHBondContact OG-O 2.81Å; H709-I712 WeakPolarHBondContact O-CB 3.37Å; H709-I712 WeakPolarHBondContact O-CG1 3.03Å; H709-I712 PolarHBondContact O-N 3.34Å; H709-I712 VanDerWaalsContact O-N 3.08Å; R710-I712 VanDerWaalsContact C-N 3.27Å; R710-I712 HydrophobicContact CB-CD1 4.49Å; R710-I712 PolarHBondContact O-N 2.95Å; I712-D715 HydrophobicContact CB-CB 4.44Å; I712-D715 HydrophobicContact CG2-CB 4.49Å
713	K	65.1	Low	85.6	Confident	123 Å²	123	47.9 Å²	47.9	54%	0.535	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	136.8	165.9	-68	-173.6	172.2	-156.7	0	108.1	G711 S756 T758	G711-K713 PolarHBondContact O-N 3.49Å; K713-S756 WeakPolarHBondContact CD-O 3.36Å; K713-S756 VanDerWaalsContact CE-O 3.31Å; K713-S756 WeakPolarHBondContact CE-O 3.42Å; K713-S756 PolarHBondContact NZ-O 2.8Å; K713-T758 HydrophobicContact CG-CG2 4.06Å
714	H	73.9	Confident	85.2	Confident	90 Å²	90	54.4 Å²	54.4	42%	0.417	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	56.4	-175.3	-51.9	-67.8	0	0	0	113.1	G716 Y718 S755	H714-G716 PolarHBondContact O-N 3.17Å; H714-G716 VanDerWaalsContact O-N 3.14Å; H714-Y718 WeakPolarHBondContact CA-OH 3.49Å; H714-Y718 VanDerWaalsContact CB-OH 3.3Å; H714-Y718 WeakPolarHBondContact CB-OH 3.1Å; H714-Y718 AromaticContact ND1-CE1 3.96Å; H714-S755 PolarHBondContact CE1-O 2.79Å
715	D	80.1	Confident	84.7	Confident	9 Å²	9	60.5 Å²	60.5	5%	0.048	28%	0.28	C	S	.	.			trans	-70.7	-1.1	177.6	78.3	-19.7	0	0	0	114.5	S708 H709 I712 N717 N784	S708-D715 WeakPolarHBondContact CA-OD2 3.19Å; H709-D715 HydrophobicContact CB-CB 4.24Å; H709-D715 PolarHBondContact N-OD2 3.36Å; I712-D715 HydrophobicContact CB-CB 4.44Å; I712-D715 HydrophobicContact CG2-CB 4.49Å; D715-N717 PolarHBondContact OD1-N 3.32Å; D715-N717 PolarHBondContact OD2-ND2 2.83Å; D715-N784 WeakPolarHBondContact O-CB 3.2Å; D715-N784 PolarHBondContact O-ND2 3.35Å
716	G	86.5	Confident	84.3	Confident	5 Å²	5	58.7 Å²	58.7	5%	0.052	28%	0.283	C	S	.	.	S	Bend	trans	95.2	4.6	-179	0	0	0	0	0	114.7	H714 A778 T779	H714-G716 PolarHBondContact O-N 3.17Å; H714-G716 VanDerWaalsContact O-N 3.14Å; G716-A778 CarbonylContact O-C 3.56Å; G716-A778 WeakPolarHBondContact O-CA 3.29Å; G716-T779 WeakPolarHBondContact CA-OG1 3.23Å; G716-T779 PolarHBondContact O-N 3.18Å; G716-T779 PolarHBondContact O-OG1 3.1Å
717	N	91	Very high	84.1	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.5	177.8	-62.6	-78.1	0	0	0	111.3	D715 V776 L777 A778 N784 P786	D715-N717 PolarHBondContact OD1-N 3.32Å; D715-N717 PolarHBondContact OD2-ND2 2.83Å; N717-V776 HydrophobicContact CB-CG2 4.15Å; N717-L777 WeakPolarHBondContact CA-O 3.35Å; N717-A778 WeakPolarHBondContact OD1-CB 3.16Å; N717-N784 PolarHBondContact ND2-O 2.76Å; N717-P786 HydrophobicContact CB-CB 4.28Å
718	Y	92.9	Very high	84.1	Confident	28 Å²	28	57.1 Å²	57.1	11%	0.11	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134.7	-176.1	-52.5	-66.2	0	0	0	112.2	H714 V736 E760 V776 L777	H714-Y718 WeakPolarHBondContact CA-OH 3.49Å; H714-Y718 VanDerWaalsContact CB-OH 3.3Å; H714-Y718 WeakPolarHBondContact CB-OH 3.1Å; H714-Y718 AromaticContact ND1-CE1 3.96Å; Y718-V736 HydrophobicContact CD1-CG1 3.71Å; Y718-V736 HydrophobicContact CD2-CG1 4.13Å; Y718-V736 HydrophobicContact CD2-CG2 3.68Å; Y718-V736 HydrophobicContact CE1-CG1 4.2Å; Y718-V736 HydrophobicContact CE2-CG2 4.21Å; Y718-V736 HydrophobicContact CG-CB 4.47Å; Y718-V736 HydrophobicContact CG-CG1 3.65Å; Y718-V736 HydrophobicContact CG-CG2 3.96Å; Y718-E760 WeakPolarHBondContact CA-OE2 3.25Å; Y718-V776 CarbonylContact O-C 3.58Å; Y718-V776 WeakPolarHBondContact O-CA 3.01Å; Y718-L777 PolarHBondContact N-O 2.58Å; Y718-L777 PolarHBondContact O-N 2.75Å
719	L	95.3	Very high	84.5	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	133.6	175	-69.7	173.8	0	0	0	110.5	I692 I704 Q706 N731 E760 I762 I774 I788	I692-L719 HydrophobicContact CD1-CD2 4.3Å; I704-L719 HydrophobicContact CG2-CD1 4.01Å; I704-L719 HydrophobicContact CG2-CD2 4.01Å; Q706-L719 HydrophobicContact CB-CD1 3.99Å; Q706-L719 HydrophobicContact CB-CD2 4.22Å; Q706-L719 HydrophobicContact CB-CG 3.86Å; L719-N731 WeakPolarHBondContact O-CB 3.3Å; L719-N731 PolarHBondContact O-ND2 3.18Å; L719-E760 HydrophobicContact CB-CG 4.46Å; L719-E760 HydrophobicContact CD1-CG 4.19Å; L719-E760 HydrophobicContact CG-CG 4.4Å; L719-E760 WeakPolarHBondContact CG-OE2 3.44Å; L719-E760 PolarHBondContact N-OE1 3.22Å; L719-E760 PolarHBondContact N-OE2 3.42Å; L719-I762 HydrophobicContact CB-CD1 3.82Å; L719-I762 HydrophobicContact CD1-CD1 4.01Å; L719-I762 HydrophobicContact CD1-CG1 4.05Å; L719-I762 HydrophobicContact CG-CD1 4.47Å; L719-I774 HydrophobicContact CD2-CG2 4.48Å; L719-I788 HydrophobicContact CD2-CD1 3.89Å; L719-I788 HydrophobicContact CD2-CG1 4.44Å; L719-I788 HydrophobicContact CD2-CG2 4.37Å
720	A	95.1	Very high	85.1	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	155.6	173.8	0	0	0	0	0	110.3	Y689 L730 N731 Q775	Y689-A720 HydrophobicContact CD1-CB 4.16Å; Y689-A720 HydrophobicContact CE1-CB 3.77Å; A720-L730 WeakPolarHBondContact CA-O 3.1Å; A720-L730 WeakPolarHBondContact CB-O 3.39Å; A720-N731 HydrophobicContact CB-CB 4.04Å; A720-Q775 HydrophobicContact CB-CB 4.17Å; A720-Q775 PolarHBondContact N-O 3.11Å; A720-Q775 PolarHBondContact O-N 3.12Å
721	V	95.4	Very high	86	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	133.5	180	-174.7	0	0	0	0	110.1	I729 L730 L750 I762 I772 I774	V721-I729 HydrophobicContact CB-CD1 4.42Å; V721-I729 HydrophobicContact CB-CG1 3.93Å; V721-I729 HydrophobicContact CG1-CD1 3.76Å; V721-I729 HydrophobicContact CG1-CG1 3.74Å; V721-I729 PolarHBondContact O-N 3.43Å; V721-L730 HydrophobicContact CB-CB 3.99Å; V721-L730 HydrophobicContact CG2-CB 4.18Å; V721-L730 HydrophobicContact CG2-CD2 4.15Å; V721-L730 PolarHBondContact N-O 3.27Å; V721-L730 VanDerWaalsContact N-O 3.11Å; V721-L730 PolarHBondContact O-N 2.92Å; V721-L750 HydrophobicContact CG1-CD1 4.12Å; V721-L750 HydrophobicContact CG2-CD1 4.47Å; V721-I762 HydrophobicContact CG2-CD1 3.61Å; V721-I772 HydrophobicContact CG1-CB 4.09Å; V721-I772 HydrophobicContact CG1-CD1 4.41Å; V721-I774 HydrophobicContact CG1-CD1 4.21Å; V721-I774 HydrophobicContact CG2-CD1 3.94Å
722	K	93.1	Very high	87	Confident	58 Å²	58	46.2 Å²	46.2	25%	0.252	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.5	-171.4	-179.3	177.8	170.8	-171.5	0	109.5	G726 A727 Y728 T773	K722-G726 WeakPolarHBondContact CE-O 3.38Å; K722-A727 CarbonylContact C-O 3.33Å; K722-A727 WeakPolarHBondContact CA-O 3.26Å; K722-Y728 HydrophobicContact CB-CD1 4.37Å; K722-T773 PolarHBondContact N-O 3.47Å; K722-T773 PolarHBondContact O-N 2.83Å
723	R	91.6	Very high	87.7	Confident	53 Å²	53	49.2 Å²	49.2	20%	0.2	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	160.9	173.5	-72.1	-179.4	-173.1	-108.7	-5.8	110.7	N725 G726 A727 I729 E770	R723-N725 VanDerWaalsContact CB-OD1 3.28Å; R723-N725 WeakPolarHBondContact CB-OD1 3.19Å; R723-N725 PolarHBondContact O-N 2.7Å; R723-G726 PolarHBondContact O-N 3.12Å; R723-A727 PolarHBondContact N-O 3.24Å; R723-I729 HydrophobicContact CG-CG2 4Å; R723-E770 IonicContact CZ-OE1 2.95Å; R723-E770 IonicContact CZ-OE2 3.4Å; R723-E770 IonicContact NE-OE2 3.63Å; R723-E770 IonicContact NH1-OE1 3.82Å; R723-E770 PolarHBondContact NH1-OE1 2.97Å; R723-E770 IonicContact NH1-OE2 3.93Å; R723-E770 PolarHBondContact NH1-OE2 3.04Å; R723-E770 IonicContact NH2-OE1 2.65Å; R723-E770 PolarHBondContact NH2-OE1 3.31Å
724	E	86.7	Confident	88.5	Confident	159 Å²	159	49.1 Å²	49.1	74%	0.743	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-34.2	175.6	-173.4	165	-146.8	0	0	113.2	G726	E724-G726 PolarHBondContact O-N 2.6Å; E724-G726 VanDerWaalsContact O-N 3.09Å
725	N	86.3	Confident	89	Confident	129 Å²	129	48.9 Å²	48.9	69%	0.69	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	3.1	174.2	75.5	-6.5	0	0	0	114.9	R723 A727	R723-N725 VanDerWaalsContact CB-OD1 3.28Å; R723-N725 WeakPolarHBondContact CB-OD1 3.19Å; R723-N725 PolarHBondContact O-N 2.7Å; N725-A727 WeakPolarHBondContact OD1-CB 3.23Å; N725-A727 PolarHBondContact OD1-N 2.96Å; N725-A727 VanDerWaalsContact OD1-N 3.07Å
726	G	85	Confident	89.3	Confident	35 Å²	35	50.3 Å²	50.3	36%	0.361	27%	0.271	S	S	.	.	S	Bend	trans	91.2	-12	178.1	0	0	0	0	0	115.7	K722 R723 E724	K722-G726 WeakPolarHBondContact CE-O 3.38Å; R723-G726 PolarHBondContact O-N 3.12Å; E724-G726 PolarHBondContact O-N 2.6Å; E724-G726 VanDerWaalsContact O-N 3.09Å
727	A	88.4	Confident	89.2	Confident	47 Å²	47	51.1 Å²	51.1	39%	0.388	28%	0.276	S	S	.	.			trans	-75.9	136.9	-177.5	0	0	0	0	0	112.7	K722 R723 N725	K722-A727 CarbonylContact C-O 3.33Å; K722-A727 WeakPolarHBondContact CA-O 3.26Å; R723-A727 PolarHBondContact N-O 3.24Å; N725-A727 WeakPolarHBondContact OD1-CB 3.23Å; N725-A727 PolarHBondContact OD1-N 2.96Å; N725-A727 VanDerWaalsContact OD1-N 3.07Å
728	Y	89.5	Confident	88.7	Confident	76 Å²	76	54.1 Å²	54.1	30%	0.298	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	136.5	172.6	-71.2	-88.9	0	0	0	111.5	Y689 K722 G732 Q775	Y689-Y728 AromaticContact CD1-CE1 3.84Å; Y689-Y728 HydrophobicContact CD1-CE1 3.84Å; Y689-Y728 HydrophobicContact CE1-CD1 4.49Å; Y689-Y728 AromaticContact CE1-CE1 3.63Å; Y689-Y728 HydrophobicContact CE1-CE1 3.63Å; K722-Y728 HydrophobicContact CB-CD1 4.37Å; Y728-G732 VanDerWaalsContact CG-CA 3.44Å; Y728-Q775 PolarHBondContact OH-OE1 3.1Å
729	I	90	Very high	88	Confident	42 Å²	42	56.7 Å²	56.7	22%	0.215	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-11.2	169.2	57.3	171.6	0	0	0	113.1	V721 R723 I743 I745 L750	V721-I729 HydrophobicContact CB-CD1 4.42Å; V721-I729 HydrophobicContact CB-CG1 3.93Å; V721-I729 HydrophobicContact CG1-CD1 3.76Å; V721-I729 HydrophobicContact CG1-CG1 3.74Å; V721-I729 PolarHBondContact O-N 3.43Å; R723-I729 HydrophobicContact CG-CG2 4Å; I729-I743 HydrophobicContact CB-CG2 4.31Å; I729-I743 HydrophobicContact CD1-CG2 4.4Å; I729-I745 HydrophobicContact CD1-CG2 3.43Å; I729-I745 VanDerWaalsContact CD1-CG2 3.43Å; I729-L750 HydrophobicContact CD1-CD1 4.42Å
730	L	91.1	Very high	87.4	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.037	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	136.8	169.5	178.7	60.6	0	0	0	110.4	A720 V721 G732 I743 Y752 I762	A720-L730 WeakPolarHBondContact CA-O 3.1Å; A720-L730 WeakPolarHBondContact CB-O 3.39Å; V721-L730 HydrophobicContact CB-CB 3.99Å; V721-L730 HydrophobicContact CG2-CB 4.18Å; V721-L730 HydrophobicContact CG2-CD2 4.15Å; V721-L730 PolarHBondContact N-O 3.27Å; V721-L730 VanDerWaalsContact N-O 3.11Å; V721-L730 PolarHBondContact O-N 2.92Å; L730-G732 VanDerWaalsContact C-N 3.34Å; L730-G732 PolarHBondContact O-N 3.47Å; L730-I743 HydrophobicContact CB-CD1 3.88Å; L730-I743 HydrophobicContact CD1-CD1 3.88Å; L730-I743 HydrophobicContact CD2-CD1 4.01Å; L730-I743 HydrophobicContact CG-CD1 4.13Å; L730-Y752 HydrophobicContact CD1-CD1 3.81Å; L730-Y752 HydrophobicContact CD1-CD2 4.3Å; L730-Y752 HydrophobicContact CD1-CE1 3.89Å; L730-Y752 HydrophobicContact CD1-CE2 4.34Å; L730-Y752 HydrophobicContact CD1-CG 3.99Å; L730-Y752 HydrophobicContact CD2-CD1 4.4Å; L730-Y752 HydrophobicContact CD2-CD2 3.46Å; L730-Y752 VanDerWaalsContact CD2-CD2 3.46Å; L730-Y752 HydrophobicContact CD2-CE2 3.85Å; L730-Y752 HydrophobicContact CD2-CG 3.73Å; L730-Y752 HydrophobicContact CG-CD2 4.48Å; L730-I762 HydrophobicContact CD2-CD1 3.74Å; L730-I762 HydrophobicContact CD2-CG1 4.23Å
731	N	90.9	Very high	86.8	Confident	11 Å²	11	64.1 Å²	64.1	6%	0.059	35%	0.348	C	S	.	.	S	Bend	trans	49.2	45	169.7	-62.9	-13.3	0	0	0	114.9	Y689 L719 A720 S735 S737 Y752	Y689-N731 VanDerWaalsContact CE1-O 3.26Å; Y689-N731 WeakPolarHBondContact CE1-O 3.48Å; Y689-N731 PolarHBondContact OH-O 3.38Å; L719-N731 WeakPolarHBondContact O-CB 3.3Å; L719-N731 PolarHBondContact O-ND2 3.18Å; A720-N731 HydrophobicContact CB-CB 4.04Å; N731-S735 CarbonylContact C-O 3.52Å; N731-S735 VanDerWaalsContact C-O 3.27Å; N731-S735 WeakPolarHBondContact CA-O 3.27Å; N731-S737 PolarHBondContact OD1-N 3.28Å; N731-Y752 PolarHBondContact ND2-OH 2.98Å
732	G	87.6	Confident	86.2	Confident	14 Å²	14	64.4 Å²	64.4	14%	0.144	35%	0.35	C	S	.	.			trans	-85.5	169.7	174.9	0	0	0	0	0	114	Y689 Y728 L730 F734 S735	Y689-G732 WeakPolarHBondContact OH-CA 3.45Å; Y728-G732 VanDerWaalsContact CG-CA 3.44Å; L730-G732 VanDerWaalsContact C-N 3.34Å; L730-G732 PolarHBondContact O-N 3.47Å; G732-F734 PolarHBondContact O-N 3.26Å; G732-S735 WeakPolarHBondContact O-CB 3.36Å; G732-S735 PolarHBondContact O-N 3.15Å
733	N	85.4	Confident	85.9	Confident	144 Å²	144	62.3 Å²	62.3	77%	0.77	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	34.7	175.4	-60.5	-6	0	0	0	114.7	Y689 S735	Y689-N733 PolarHBondContact OH-N 3.33Å; N733-S735 PolarHBondContact O-N 3.38Å; N733-S735 VanDerWaalsContact O-N 3.09Å
734	F	83.6	Confident	85.5	Confident	121 Å²	121	60.9 Å²	60.9	53%	0.531	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	9.5	-173.5	-62.7	-96.6	0	0	0	115.1	Y689 G732 L777	Y689-F734 HydrophobicContact CD2-CE2 4.47Å; Y689-F734 HydrophobicContact CD2-CZ 4.32Å; Y689-F734 HydrophobicContact CE2-CD1 4.41Å; Y689-F734 HydrophobicContact CE2-CD2 4.11Å; Y689-F734 HydrophobicContact CE2-CE1 4.38Å; Y689-F734 HydrophobicContact CE2-CE2 4.06Å; Y689-F734 HydrophobicContact CE2-CG 4.28Å; Y689-F734 HydrophobicContact CE2-CZ 4.2Å; Y689-F734 WeakPolarHBondContact OH-CA 3.06Å; Y689-F734 PolarHBondContact OH-N 3.47Å; G732-F734 PolarHBondContact O-N 3.26Å; F734-L777 HydrophobicContact CD1-CD1 3.66Å; F734-L777 HydrophobicContact CD1-CD2 4.34Å; F734-L777 HydrophobicContact CE1-CD1 3.68Å
735	S	84.3	Confident	85.5	Confident	84 Å²	84	53.8 Å²	53.8	59%	0.587	31%	0.306	S	S	*	.			trans	-86.5	140	171	-172.5	0	0	0	0	110.2	N731 G732 N733	N731-S735 CarbonylContact C-O 3.52Å; N731-S735 VanDerWaalsContact C-O 3.27Å; N731-S735 WeakPolarHBondContact CA-O 3.27Å; G732-S735 WeakPolarHBondContact O-CB 3.36Å; G732-S735 PolarHBondContact O-N 3.15Å; N733-S735 PolarHBondContact O-N 3.38Å; N733-S735 VanDerWaalsContact O-N 3.09Å
736	V	86.1	Confident	85.3	Confident	40 Å²	40	51 Å²	51	24%	0.242	29%	0.29	C	S	.	.			trans	-130.1	122.6	-175	-177.7	0	0	0	0	110.1	Y718 T738 S755 L777	Y718-V736 HydrophobicContact CD1-CG1 3.71Å; Y718-V736 HydrophobicContact CD2-CG1 4.13Å; Y718-V736 HydrophobicContact CD2-CG2 3.68Å; Y718-V736 HydrophobicContact CE1-CG1 4.2Å; Y718-V736 HydrophobicContact CE2-CG2 4.21Å; Y718-V736 HydrophobicContact CG-CB 4.47Å; Y718-V736 HydrophobicContact CG-CG1 3.65Å; Y718-V736 HydrophobicContact CG-CG2 3.96Å; V736-T738 PolarHBondContact O-N 2.92Å; V736-S755 WeakPolarHBondContact CG1-OG 3.16Å; V736-L777 HydrophobicContact CG2-CD2 3.98Å
737	S	83.1	Confident	84.9	Confident	21 Å²	21	50.6 Å²	50.6	15%	0.147	29%	0.286	C	S	.	.			trans	-77	121.5	174.8	177.8	0	0	0	0	111.4	N731 V739 Q741 Y752 S755	N731-S737 PolarHBondContact OD1-N 3.28Å; S737-V739 PolarHBondContact OG-O 2.88Å; S737-Q741 PolarHBondContact OG-NE2 3.08Å; S737-Y752 WeakPolarHBondContact O-CE1 3.24Å; S737-Y752 PolarHBondContact O-OH 2.59Å; S737-S755 PolarHBondContact O-N 3.42Å; S737-S755 PolarHBondContact O-OG 3.02Å
738	T	81.8	Confident	84.7	Confident	67 Å²	67	48.7 Å²	48.7	41%	0.411	27%	0.27	S	S	.	.			trans	-85.7	-10.1	179.1	52.4	0	0	0	0	113.9	V736 S756	V736-T738 PolarHBondContact O-N 2.92Å; T738-S756 WeakPolarHBondContact O-CB 3.48Å; T738-S756 PolarHBondContact O-OG 3.43Å
739	V	78	Confident	84.6	Confident	83 Å²	83	46 Å²	46	50%	0.503	26%	0.261	S	S	.	.	S	Bend	trans	-113	158	-169.8	-61.3	0	0	0	0	113	S737 Q741 G754	S737-V739 PolarHBondContact OG-O 2.88Å; V739-Q741 HydrophobicContact CG2-CG 4.15Å; V739-G754 WeakPolarHBondContact O-CA 3.24Å
740	E	83.1	Confident	84.6	Confident	99 Å²	99	44 Å²	44	46%	0.463	25%	0.251	S	S	.	.			trans	-63.5	134.7	172.7	-173.6	178.4	-142.7	0	0	111	A601 Y752	A601-E740 HydrophobicContact CB-CG 4.12Å; E740-Y752 CarbonylContact C-O 3.57Å; E740-Y752 VanDerWaalsContact CA-O 3.25Å; E740-Y752 WeakPolarHBondContact CA-O 3.3Å; E740-Y752 WeakPolarHBondContact CG-O 3.38Å
741	Q	81	Confident	84.5	Confident	56 Å²	56	46.1 Å²	46.1	26%	0.262	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	136.1	179.1	-62	-168.1	8.6	0	0	112.9	S737 V739 I743 Y752	S737-Q741 PolarHBondContact OG-NE2 3.08Å; V739-Q741 HydrophobicContact CG2-CG 4.15Å; Q741-I743 HydrophobicContact CB-CG1 4.34Å; Q741-Y752 PolarHBondContact N-O 3.2Å; Q741-Y752 PolarHBondContact O-N 3.27Å
742	D	84.5	Confident	84.5	Confident	7 Å²	7	45.6 Å²	45.6	4%	0.037	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	124	159.4	-55.6	-67.5	0	0	0	109.4	Y600 A601 R614 V749 K751	Y600-D742 WeakPolarHBondContact CA-OD2 3.2Å; Y600-D742 WeakPolarHBondContact CB-OD2 3.15Å; Y600-D742 HydrophobicContact CD2-CB 4.39Å; Y600-D742 PolarHBondContact N-OD2 2.89Å; A601-D742 WeakPolarHBondContact CB-OD2 3.4Å; A601-D742 PolarHBondContact N-OD2 2.8Å; R614-D742 PolarHBondContact NH2-O 3.04Å; D742-V749 HydrophobicContact CB-CG1 3.79Å; D742-K751 WeakPolarHBondContact OD1-CE 3.21Å
743	I	86.8	Confident	84.5	Confident	13 Å²	13	46.4 Å²	46.4	7%	0.067	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	104.7	-178.1	-47.1	178.6	0	0	0	108.4	I729 L730 Q741 L750	I729-I743 HydrophobicContact CB-CG2 4.31Å; I729-I743 HydrophobicContact CD1-CG2 4.4Å; L730-I743 HydrophobicContact CB-CD1 3.88Å; L730-I743 HydrophobicContact CD1-CD1 3.88Å; L730-I743 HydrophobicContact CD2-CD1 4.01Å; L730-I743 HydrophobicContact CG-CD1 4.13Å; Q741-I743 HydrophobicContact CB-CG1 4.34Å; I743-L750 HydrophobicContact CB-CB 4.24Å; I743-L750 PolarHBondContact N-O 3.42Å; I743-L750 PolarHBondContact O-N 3.37Å
744	P	83.4	Confident	84.6	Confident	23 Å²	23	39.6 Å²	39.6	15%	0.149	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	133.8	-179.4	28.4	-33.3	0	0	0	111.7	E575 I597	E575-P744 VanDerWaalsContact OE1-CB 3.3Å; E575-P744 WeakPolarHBondContact OE1-CB 3.41Å; I597-P744 HydrophobicContact CD1-CG 4.04Å
745	I	85.6	Confident	84.6	Confident	11 Å²	11	34 Å²	34	6%	0.056	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	165.9	174.4	57.5	169.4	0	0	0	109.1	I729 G747 A748 L750 L768 E770 I772	I729-I745 HydrophobicContact CD1-CG2 3.43Å; I729-I745 VanDerWaalsContact CD1-CG2 3.43Å; I745-G747 PolarHBondContact O-N 2.93Å; I745-A748 CarbonylContact C-O 3.47Å; I745-A748 HydrophobicContact CD1-CB 4.22Å; I745-A748 HydrophobicContact CG1-CB 4.03Å; I745-A748 VanDerWaalsContact CG1-O 3.22Å; I745-A748 WeakPolarHBondContact CG1-O 3.49Å; I745-A748 PolarHBondContact N-O 3.44Å; I745-A748 PolarHBondContact O-N 2.87Å; I745-A748 VanDerWaalsContact O-N 3.11Å; I745-L750 HydrophobicContact CD1-CD1 4.1Å; I745-L750 HydrophobicContact CD1-CD2 3.6Å; I745-L750 HydrophobicContact CD1-CG 3.66Å; I745-L750 HydrophobicContact CG1-CG 4.24Å; I745-L768 HydrophobicContact CD1-CD2 3.5Å; I745-E770 HydrophobicContact CB-CG 4.43Å; I745-E770 WeakPolarHBondContact CB-OE1 3.43Å; I745-I772 HydrophobicContact CD1-CD1 4.26Å; I745-I772 HydrophobicContact CD1-CG2 4.39Å
746	L	82.1	Confident	84.5	Confident	70 Å²	70	32 Å²	32	37%	0.366	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	115.8	-174.6	-63.8	173.1	0	0	0	111	E569 A748 K769 E770	E569-L746 WeakPolarHBondContact O-CD2 3.43Å; L746-A748 VanDerWaalsContact C-N 3.34Å; L746-A748 PolarHBondContact O-N 3.17Å; L746-K769 HydrophobicContact CB-CB 4.03Å; L746-K769 WeakPolarHBondContact O-CB 3.5Å; L746-K769 PolarHBondContact O-N 2.78Å; L746-E770 HydrophobicContact CB-CB 4.15Å; L746-E770 HydrophobicContact CB-CG 4.01Å; L746-E770 HydrophobicContact CD1-CB 4.14Å; L746-E770 HydrophobicContact CG-CG 4.42Å; L746-E770 WeakPolarHBondContact CG-OE1 3.25Å; L746-E770 PolarHBondContact N-OE1 3.15Å
747	G	77.2	Confident	84.1	Confident	26 Å²	26	32.1 Å²	32.1	27%	0.268	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	-7.3	-179.5	0	0	0	0	0	116.7	G570 I745	G570-G747 PolarHBondContact O-N 3.34Å; I745-G747 PolarHBondContact O-N 2.93Å
748	A	83.6	Confident	84.1	Confident	8 Å²	8	34.3 Å²	34.3	7%	0.066	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	166.3	-172.3	0	0	0	0	0	113.7	I745 L746 R766 L768	I745-A748 CarbonylContact C-O 3.47Å; I745-A748 HydrophobicContact CD1-CB 4.22Å; I745-A748 HydrophobicContact CG1-CB 4.03Å; I745-A748 VanDerWaalsContact CG1-O 3.22Å; I745-A748 WeakPolarHBondContact CG1-O 3.49Å; I745-A748 PolarHBondContact N-O 3.44Å; I745-A748 PolarHBondContact O-N 2.87Å; I745-A748 VanDerWaalsContact O-N 3.11Å; L746-A748 VanDerWaalsContact C-N 3.34Å; L746-A748 PolarHBondContact O-N 3.17Å; A748-R766 HydrophobicContact CB-CB 3.91Å; A748-L768 HydrophobicContact CB-CD2 3.9Å
749	V	87.6	Confident	84.4	Confident	18 Å²	18	33.8 Å²	33.8	11%	0.109	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.6	170.7	177.4	0	0	0	0	108	P636 D742 S764	P636-V749 HydrophobicContact CB-CB 3.86Å; P636-V749 HydrophobicContact CB-CG2 3.87Å; P636-V749 HydrophobicContact CG-CB 4.18Å; P636-V749 HydrophobicContact CG-CG1 4.32Å; P636-V749 HydrophobicContact CG-CG2 4.39Å; D742-V749 HydrophobicContact CB-CG1 3.79Å; V749-S764 VanDerWaalsContact O-CB 3.3Å; V749-S764 WeakPolarHBondContact O-CB 3.13Å; V749-S764 PolarHBondContact O-OG 2.76Å
750	L	90.4	Very high	85	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	123.9	169.3	-50.9	-179.1	0	0	0	108.6	V721 I729 I743 I745 I762 Q763 I772	V721-L750 HydrophobicContact CG1-CD1 4.12Å; V721-L750 HydrophobicContact CG2-CD1 4.47Å; I729-L750 HydrophobicContact CD1-CD1 4.42Å; I743-L750 HydrophobicContact CB-CB 4.24Å; I743-L750 PolarHBondContact N-O 3.42Å; I743-L750 PolarHBondContact O-N 3.37Å; I745-L750 HydrophobicContact CD1-CD1 4.1Å; I745-L750 HydrophobicContact CD1-CD2 3.6Å; I745-L750 HydrophobicContact CD1-CG 3.66Å; I745-L750 HydrophobicContact CG1-CG 4.24Å; L750-I762 HydrophobicContact CB-CG2 4.1Å; L750-I762 HydrophobicContact CD1-CG2 4.45Å; L750-Q763 CarbonylContact C-O 3.55Å; L750-Q763 WeakPolarHBondContact CA-O 3.2Å; L750-I772 HydrophobicContact CD1-CD1 3.77Å; L750-I772 HydrophobicContact CD2-CD1 3.99Å; L750-I772 HydrophobicContact CG-CD1 4.48Å
751	K	89.4	Confident	85.5	Confident	52 Å²	52	28.5 Å²	28.5	23%	0.226	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115.3	171.9	-70	-169.2	169.9	-175	0	109.9	D637 D742 I762 Q763	D637-K751 WeakPolarHBondContact OD1-CE 3.32Å; D637-K751 IonicContact OD1-NZ 2.68Å; D637-K751 WeakPolarHBondContact OD2-CD 3.49Å; D637-K751 VanDerWaalsContact OD2-CE 3.26Å; D637-K751 WeakPolarHBondContact OD2-CE 3.21Å; D637-K751 IonicContact OD2-NZ 2.85Å; D637-K751 PolarHBondContact OD2-NZ 2.99Å; D742-K751 WeakPolarHBondContact OD1-CE 3.21Å; K751-I762 CarbonylContact O-C 3.5Å; K751-I762 VanDerWaalsContact O-CA 3.27Å; K751-I762 WeakPolarHBondContact O-CA 3.23Å; K751-Q763 PolarHBondContact N-O 3.46Å; K751-Q763 PolarHBondContact O-N 3.36Å
752	Y	90.6	Very high	86.2	Confident	1 Å²	1	25.9 Å²	25.9	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.1	177.9	166.5	-107.1	0	0	0	110.3	L730 N731 S737 E740 Q741 G754 S755 E760 R761 I762	L730-Y752 HydrophobicContact CD1-CD1 3.81Å; L730-Y752 HydrophobicContact CD1-CD2 4.3Å; L730-Y752 HydrophobicContact CD1-CE1 3.89Å; L730-Y752 HydrophobicContact CD1-CE2 4.34Å; L730-Y752 HydrophobicContact CD1-CG 3.99Å; L730-Y752 HydrophobicContact CD2-CD1 4.4Å; L730-Y752 HydrophobicContact CD2-CD2 3.46Å; L730-Y752 VanDerWaalsContact CD2-CD2 3.46Å; L730-Y752 HydrophobicContact CD2-CE2 3.85Å; L730-Y752 HydrophobicContact CD2-CG 3.73Å; L730-Y752 HydrophobicContact CG-CD2 4.48Å; N731-Y752 PolarHBondContact ND2-OH 2.98Å; S737-Y752 WeakPolarHBondContact O-CE1 3.24Å; S737-Y752 PolarHBondContact O-OH 2.59Å; E740-Y752 CarbonylContact C-O 3.57Å; E740-Y752 VanDerWaalsContact CA-O 3.25Å; E740-Y752 WeakPolarHBondContact CA-O 3.3Å; E740-Y752 WeakPolarHBondContact CG-O 3.38Å; Q741-Y752 PolarHBondContact N-O 3.2Å; Q741-Y752 PolarHBondContact O-N 3.27Å; Y752-G754 VanDerWaalsContact CE1-CA 3.42Å; Y752-S755 PolarHBondContact OH-N 3.18Å; Y752-E760 HydrophobicContact CE2-CG 3.75Å; Y752-E760 WeakPolarHBondContact CE2-OE1 3.31Å; Y752-E760 PolarHBondContact OH-OE1 2.8Å; Y752-R761 CarbonylContact C-O 3.54Å; Y752-R761 WeakPolarHBondContact CA-O 3.49Å; Y752-I762 HydrophobicContact CD2-CG1 3.98Å
753	S	86.5	Confident	86.5	Confident	31 Å²	31	27.6 Å²	27.6	22%	0.217	16%	0.157	C	C	.	.			trans	-84.9	-5.3	-170.7	69.7	0	0	0	0	116.4	L759 E760 R761	S753-L759 PolarHBondContact OG-O 2.91Å; S753-E760 WeakPolarHBondContact OG-CA 3.3Å; S753-R761 PolarHBondContact N-O 3.47Å; S753-R761 PolarHBondContact OG-N 2.58Å
754	G	87.3	Confident	86.7	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.			trans	82.6	139.5	-173.3	0	0	0	0	0	114.1	V739 Y752 S756 T757	V739-G754 WeakPolarHBondContact O-CA 3.24Å; Y752-G754 VanDerWaalsContact CE1-CA 3.42Å; G754-S756 PolarHBondContact O-N 3.23Å; G754-T757 PolarHBondContact O-N 3.02Å; G754-T757 PolarHBondContact O-OG1 3.42Å
755	S	85.4	Confident	86.7	Confident	4 Å²	4	29.7 Å²	29.7	3%	0.028	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-4.1	-177.6	67.1	0	0	0	0	115.1	H714 V736 S737 Y752 T757	H714-S755 PolarHBondContact CE1-O 2.79Å; V736-S755 WeakPolarHBondContact CG1-OG 3.16Å; S737-S755 PolarHBondContact O-N 3.42Å; S737-S755 PolarHBondContact O-OG 3.02Å; Y752-S755 PolarHBondContact OH-N 3.18Å; S755-T757 PolarHBondContact O-N 2.98Å
756	S	80.4	Confident	86.6	Confident	41 Å²	41	33.5 Å²	33.5	29%	0.287	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-4.7	172.8	61.3	0	0	0	0	113.7	K713 T738 G754	K713-S756 WeakPolarHBondContact CD-O 3.36Å; K713-S756 VanDerWaalsContact CE-O 3.31Å; K713-S756 WeakPolarHBondContact CE-O 3.42Å; K713-S756 PolarHBondContact NZ-O 2.8Å; T738-S756 WeakPolarHBondContact O-CB 3.48Å; T738-S756 PolarHBondContact O-OG 3.43Å; G754-S756 PolarHBondContact O-N 3.23Å
757	T	79.3	Confident	86.9	Confident	44 Å²	44	35 Å²	35	27%	0.27	18%	0.183	S	C	.	.	S	Bend	trans	-96.5	153.9	179.6	65.5	0	0	0	0	111.6	G754 S755 L759	G754-T757 PolarHBondContact O-N 3.02Å; G754-T757 PolarHBondContact O-OG1 3.42Å; S755-T757 PolarHBondContact O-N 2.98Å; T757-L759 VanDerWaalsContact C-N 3.26Å; T757-L759 PolarHBondContact OG1-O 3.31Å
758	T	82	Confident	87.4	Confident	67 Å²	67	33.9 Å²	33.9	41%	0.411	17%	0.17	S	C	.	.	S	Bend	trans	-83.5	-3.2	176.1	54.9	0	0	0	0	113.6	S708 G711 K713	S708-T758 PolarHBondContact N-O 3.12Å; G711-T758 VanDerWaalsContact O-CG2 3.28Å; G711-T758 WeakPolarHBondContact O-CG2 3.47Å; K713-T758 HydrophobicContact CG-CG2 4.06Å
759	L	88	Confident	87.6	Confident	56 Å²	56	39.2 Å²	39.2	29%	0.293	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	81.6	172.3	-179.4	64.5	0	0	0	107.5	K705 Q706 R707 S753 T757 R761	K705-L759 HydrophobicContact CB-CD1 3.98Å; K705-L759 HydrophobicContact CG-CD1 4.2Å; Q706-L759 CarbonylContact O-C 3.57Å; Q706-L759 WeakPolarHBondContact O-CA 3.47Å; R707-L759 HydrophobicContact CB-CD1 4.16Å; S753-L759 PolarHBondContact OG-O 2.91Å; T757-L759 VanDerWaalsContact C-N 3.26Å; T757-L759 PolarHBondContact OG1-O 3.31Å; L759-R761 PolarHBondContact O-N 2.77Å
760	E	91.5	Very high	87.7	Confident	7 Å²	7	39.4 Å²	39.4	3%	0.033	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	128.8	172.2	-175.1	-168	-144.3	0	0	108.4	Q706 Y718 L719 Y752 S753	Q706-E760 HydrophobicContact CB-CB 4.2Å; Q706-E760 HydrophobicContact CG-CB 4.42Å; Q706-E760 WeakPolarHBondContact CG-OE2 3.22Å; Q706-E760 PolarHBondContact N-O 2.87Å; Q706-E760 PolarHBondContact O-N 3.48Å; Y718-E760 WeakPolarHBondContact CA-OE2 3.25Å; L719-E760 HydrophobicContact CB-CG 4.46Å; L719-E760 HydrophobicContact CD1-CG 4.19Å; L719-E760 HydrophobicContact CG-CG 4.4Å; L719-E760 WeakPolarHBondContact CG-OE2 3.44Å; L719-E760 PolarHBondContact N-OE1 3.22Å; L719-E760 PolarHBondContact N-OE2 3.42Å; Y752-E760 HydrophobicContact CE2-CG 3.75Å; Y752-E760 WeakPolarHBondContact CE2-OE1 3.31Å; Y752-E760 PolarHBondContact OH-OE1 2.8Å; S753-E760 WeakPolarHBondContact OG-CA 3.3Å
761	R	93.6	Very high	87.8	Confident	63 Å²	63	40 Å²	40	24%	0.238	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	140.6	-168.4	-159.6	-177.9	-172.7	-172.2	1.6	111.6	D703 I704 K705 Y752 S753 L759 Q763	D703-R761 IonicContact OD1-CZ 3.83Å; D703-R761 IonicContact OD1-NE 3.86Å; D703-R761 PolarHBondContact OD1-NE 2.87Å; D703-R761 IonicContact OD1-NH2 2.64Å; D703-R761 PolarHBondContact OD1-NH2 2.99Å; D703-R761 IonicContact OD2-CZ 2.74Å; D703-R761 IonicContact OD2-NH2 2.71Å; D703-R761 PolarHBondContact OD2-NH2 3.19Å; I704-R761 CarbonylContact O-C 3.47Å; I704-R761 VanDerWaalsContact O-CA 3.26Å; I704-R761 WeakPolarHBondContact O-CA 3.19Å; I704-R761 VanDerWaalsContact O-CG 3.27Å; I704-R761 WeakPolarHBondContact O-CG 3.28Å; K705-R761 VanDerWaalsContact CE-NH2 3.34Å; K705-R761 HydrophobicContact CG-CG 3.97Å; Y752-R761 CarbonylContact C-O 3.54Å; Y752-R761 WeakPolarHBondContact CA-O 3.49Å; S753-R761 PolarHBondContact N-O 3.47Å; S753-R761 PolarHBondContact OG-N 2.58Å; L759-R761 PolarHBondContact O-N 2.77Å; R761-Q763 HydrophobicContact CG-CG 3.99Å
762	I	94.6	Very high	88	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.5	167.3	-60.2	169	0	0	0	108.1	I704 L719 V721 L730 L750 K751 Y752	I704-I762 HydrophobicContact CB-CB 4.22Å; I704-I762 HydrophobicContact CD1-CB 4.16Å; I704-I762 HydrophobicContact CD1-CG2 4.23Å; I704-I762 PolarHBondContact N-O 2.92Å; I704-I762 PolarHBondContact O-N 3.08Å; L719-I762 HydrophobicContact CB-CD1 3.82Å; L719-I762 HydrophobicContact CD1-CD1 4.01Å; L719-I762 HydrophobicContact CD1-CG1 4.05Å; L719-I762 HydrophobicContact CG-CD1 4.47Å; V721-I762 HydrophobicContact CG2-CD1 3.61Å; L730-I762 HydrophobicContact CD2-CD1 3.74Å; L730-I762 HydrophobicContact CD2-CG1 4.23Å; L750-I762 HydrophobicContact CB-CG2 4.1Å; L750-I762 HydrophobicContact CD1-CG2 4.45Å; K751-I762 CarbonylContact O-C 3.5Å; K751-I762 VanDerWaalsContact O-CA 3.27Å; K751-I762 WeakPolarHBondContact O-CA 3.23Å; Y752-I762 HydrophobicContact CD2-CG1 3.98Å
763	Q	92.3	Very high	88.3	Confident	43 Å²	43	38.4 Å²	38.4	20%	0.201	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	149.1	178.6	-64	-165.4	-111.3	0	0	113.2	I702 L750 K751 R761	I702-Q763 CarbonylContact O-C 3.56Å; I702-Q763 VanDerWaalsContact O-CA 3.26Å; I702-Q763 WeakPolarHBondContact O-CA 3.42Å; L750-Q763 CarbonylContact C-O 3.55Å; L750-Q763 WeakPolarHBondContact CA-O 3.2Å; K751-Q763 PolarHBondContact N-O 3.46Å; K751-Q763 PolarHBondContact O-N 3.36Å; R761-Q763 HydrophobicContact CG-CG 3.99Å
764	S	89.9	Confident	88.7	Confident	2 Å²	2	37 Å²	37	1%	0.014	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	141.7	161.2	-159.1	0	0	0	0	112.5	N701 I702 V749	N701-S764 CarbonylContact C-O 3.36Å; N701-S764 VanDerWaalsContact CA-O 3.28Å; N701-S764 WeakPolarHBondContact CA-O 3.43Å; N701-S764 PolarHBondContact N-O 2.93Å; I702-S764 PolarHBondContact N-O 3.31Å; I702-S764 PolarHBondContact O-N 3.13Å; V749-S764 VanDerWaalsContact O-CB 3.3Å; V749-S764 WeakPolarHBondContact O-CB 3.13Å; V749-S764 PolarHBondContact O-OG 2.76Å
765	F	83.6	Confident	89.1	Confident	78 Å²	78	37.2 Å²	37.2	34%	0.342	18%	0.182	S	C	.	.			trans	-106.9	-16	-176.2	-54.1	-89.4	0	0	0	113.5	D637 N701	D637-F765 HydrophobicContact CB-CD2 3.75Å; D637-F765 HydrophobicContact CB-CE2 4.01Å; D637-F765 VanDerWaalsContact CG-CD2 3.48Å; D637-F765 WeakPolarHBondContact OD1-CD2 3.48Å; N701-F765 WeakPolarHBondContact OD1-CD1 3.38Å
766	R	83.6	Confident	89.5	Confident	92 Å²	92	37.1 Å²	37.1	35%	0.347	18%	0.181	S	C	.	.	S	Bend	trans	-84.8	167.2	178.4	-65.1	-73.7	-179.9	162.2	-2.3	110.9	P636 A748	P636-R766 PolarHBondContact O-NE 3.23Å; P636-R766 PolarHBondContact O-NH2 3.43Å; A748-R766 HydrophobicContact CB-CB 3.91Å
767	Q	87.5	Confident	90.1	Very high	102 Å²	102	35.2 Å²	35.2	48%	0.477	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-82.3	131.7	177.7	-171.5	173.1	51	0	0	111.6	G698 A699 T700	G698-Q767 PolarHBondContact O-NE2 3.45Å; G698-Q767 VanDerWaalsContact O-NE2 3.11Å; A699-Q767 WeakPolarHBondContact O-CA 3.41Å; T700-Q767 HydrophobicContact CG2-CB 3.67Å; T700-Q767 HydrophobicContact CG2-CG 4.01Å
768	L	89.1	Confident	90.7	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-68.8	130.5	175.1	-62.5	-165.8	0	0	0	112	I695 G698 A699 I702 I745 A748 I772	I695-L768 HydrophobicContact CB-CD1 4.22Å; I695-L768 HydrophobicContact CG2-CD1 3.72Å; G698-L768 PolarHBondContact N-O 3.36Å; A699-L768 HydrophobicContact CB-CD1 4.36Å; A699-L768 HydrophobicContact CB-CG 4.45Å; A699-L768 PolarHBondContact O-N 2.93Å; I702-L768 HydrophobicContact CD1-CD1 3.74Å; I702-L768 HydrophobicContact CD1-CD2 3.82Å; I702-L768 HydrophobicContact CD1-CG 3.78Å; I745-L768 HydrophobicContact CD1-CD2 3.5Å; A748-L768 HydrophobicContact CB-CD2 3.9Å; L768-I772 HydrophobicContact CD1-CD1 4.12Å; L768-I772 HydrophobicContact CD1-CG1 3.99Å
769	K	88.1	Confident	91	Very high	120 Å²	120	33.2 Å²	33.2	52%	0.522	16%	0.156	S	C	.	.	S	Bend	trans	-97	-10.3	164.3	-64.4	-177.2	175	-174.1	0	113.4	L746	L746-K769 HydrophobicContact CB-CB 4.03Å; L746-K769 WeakPolarHBondContact O-CB 3.5Å; L746-K769 PolarHBondContact O-N 2.78Å
770	E	88.7	Confident	90.3	Very high	22 Å²	22	32.2 Å²	32.2	10%	0.103	16%	0.159	C	C	.	.	S	Bend	trans	-127.9	152.5	172.1	68	178.6	123.6	0	0	112.1	R723 I745 L746 I772	R723-E770 IonicContact CZ-OE1 2.95Å; R723-E770 IonicContact CZ-OE2 3.4Å; R723-E770 IonicContact NE-OE2 3.63Å; R723-E770 IonicContact NH1-OE1 3.82Å; R723-E770 PolarHBondContact NH1-OE1 2.97Å; R723-E770 IonicContact NH1-OE2 3.93Å; R723-E770 PolarHBondContact NH1-OE2 3.04Å; R723-E770 IonicContact NH2-OE1 2.65Å; R723-E770 PolarHBondContact NH2-OE1 3.31Å; I745-E770 HydrophobicContact CB-CG 4.43Å; I745-E770 WeakPolarHBondContact CB-OE1 3.43Å; L746-E770 HydrophobicContact CB-CB 4.15Å; L746-E770 HydrophobicContact CB-CG 4.01Å; L746-E770 HydrophobicContact CD1-CB 4.14Å; L746-E770 HydrophobicContact CG-CG 4.42Å; L746-E770 WeakPolarHBondContact CG-OE1 3.25Å; L746-E770 PolarHBondContact N-OE1 3.15Å; E770-I772 HydrophobicContact CG-CG2 4.46Å
771	A	91.8	Very high	89.3	Confident	11 Å²	11	32.5 Å²	32.5	9%	0.091	16%	0.164	C	C	.	.			trans	-82.3	140.4	175.8	0	0	0	0	0	111.6	I695 I697	I695-A771 WeakPolarHBondContact O-CA 3.2Å; I697-A771 HydrophobicContact CG1-CB 4.34Å
772	I	94.9	Very high	88.2	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.9	-179.5	60.7	176.9	0	0	0	111.4	T694 I695 V721 I745 L750 L768 E770 I774	T694-I772 CarbonylContact C-O 3.57Å; T694-I772 WeakPolarHBondContact CA-O 3.07Å; I695-I772 HydrophobicContact CB-CG1 4.06Å; I695-I772 PolarHBondContact N-O 3.05Å; I695-I772 PolarHBondContact O-N 3.41Å; I695-I772 VanDerWaalsContact O-N 3.11Å; V721-I772 HydrophobicContact CG1-CB 4.09Å; V721-I772 HydrophobicContact CG1-CD1 4.41Å; I745-I772 HydrophobicContact CD1-CD1 4.26Å; I745-I772 HydrophobicContact CD1-CG2 4.39Å; L750-I772 HydrophobicContact CD1-CD1 3.77Å; L750-I772 HydrophobicContact CD2-CD1 3.99Å; L750-I772 HydrophobicContact CG-CD1 4.48Å; L768-I772 HydrophobicContact CD1-CD1 4.12Å; L768-I772 HydrophobicContact CD1-CG1 3.99Å; E770-I772 HydrophobicContact CG-CG2 4.46Å; I772-I774 HydrophobicContact CD1-CD1 4.13Å; I772-I774 HydrophobicContact CG1-CD1 4.31Å
773	T	95.7	Very high	87.2	Confident	19 Å²	19	39.1 Å²	39.1	12%	0.117	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.8	172.6	-64.4	0	0	0	0	109.9	D691 T694 K722 Q775	D691-T773 HydrophobicContact CB-CG2 4.42Å; T694-T773 PolarHBondContact OG1-OG1 3.41Å; K722-T773 PolarHBondContact N-O 3.47Å; K722-T773 PolarHBondContact O-N 2.83Å; T773-Q775 HydrophobicContact CG2-CG 4.24Å
774	I	96.3	Very high	86.6	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.4	175.6	-47.3	-58.3	0	0	0	108.2	I692 V693 I695 I704 L719 V721 I772	I692-I774 WeakPolarHBondContact CB-O 3.46Å; I692-I774 HydrophobicContact CD1-CG2 4.11Å; I692-I774 PolarHBondContact N-O 2.88Å; V693-I774 HydrophobicContact CG1-CB 4.1Å; V693-I774 HydrophobicContact CG1-CG1 4.01Å; V693-I774 PolarHBondContact N-O 2.77Å; V693-I774 PolarHBondContact O-N 3.06Å; I695-I774 HydrophobicContact CD1-CD1 4.1Å; I695-I774 HydrophobicContact CD1-CG1 3.86Å; I695-I774 HydrophobicContact CG1-CG1 4.08Å; I704-I774 HydrophobicContact CD1-CB 4.44Å; I704-I774 HydrophobicContact CD1-CD1 3.53Å; I704-I774 HydrophobicContact CD1-CG1 3.64Å; I704-I774 HydrophobicContact CD1-CG2 3.97Å; I704-I774 HydrophobicContact CG2-CG2 4.24Å; L719-I774 HydrophobicContact CD2-CG2 4.48Å; V721-I774 HydrophobicContact CG1-CD1 4.21Å; V721-I774 HydrophobicContact CG2-CD1 3.94Å; I772-I774 HydrophobicContact CD1-CD1 4.13Å; I772-I774 HydrophobicContact CG1-CD1 4.31Å
775	Q	95.2	Very high	86.4	Confident	6 Å²	6	41 Å²	41	3%	0.028	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	163	179.8	-66.7	-174.1	-38.7	0	0	111.4	S690 D691 A720 Y728 T773	S690-Q775 CarbonylContact O-C 3.59Å; S690-Q775 WeakPolarHBondContact O-CA 3.24Å; S690-Q775 WeakPolarHBondContact O-CB 3.07Å; D691-Q775 VanDerWaalsContact OD1-CG 3.31Å; D691-Q775 WeakPolarHBondContact OD1-CG 3.07Å; D691-Q775 PolarHBondContact OD1-NE2 2.82Å; A720-Q775 HydrophobicContact CB-CB 4.17Å; A720-Q775 PolarHBondContact N-O 3.11Å; A720-Q775 PolarHBondContact O-N 3.12Å; Y728-Q775 PolarHBondContact OH-OE1 3.1Å; T773-Q775 HydrophobicContact CG2-CG 4.24Å
776	V	94.1	Very high	86.7	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134	160.5	55	0	0	0	0	109.5	Y682 Y689 S690 I692 N717 Y718 P786 I788	Y682-V776 HydrophobicContact CD1-CG1 4.08Å; Y682-V776 HydrophobicContact CE1-CG1 3.76Å; Y689-V776 CarbonylContact C-O 3.58Å; Y689-V776 WeakPolarHBondContact CA-O 3.27Å; S690-V776 PolarHBondContact N-O 2.82Å; S690-V776 PolarHBondContact O-N 2.92Å; I692-V776 HydrophobicContact CD1-CB 3.99Å; I692-V776 HydrophobicContact CD1-CG1 4.14Å; I692-V776 HydrophobicContact CG1-CG1 4.25Å; N717-V776 HydrophobicContact CB-CG2 4.15Å; Y718-V776 CarbonylContact O-C 3.58Å; Y718-V776 WeakPolarHBondContact O-CA 3.01Å; V776-P786 HydrophobicContact CG2-CB 4.39Å; V776-I788 HydrophobicContact CB-CD1 3.72Å; V776-I788 HydrophobicContact CG1-CD1 4.13Å; V776-I788 HydrophobicContact CG2-CD1 4.08Å
777	L	93	Very high	87.1	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	111.9	162.2	171.7	59.4	0	0	0	108.1	G688 Y689 N717 Y718 F734 V736 T779	G688-L777 CarbonylContact O-C 3.59Å; G688-L777 WeakPolarHBondContact O-CA 3.49Å; Y689-L777 HydrophobicContact CD1-CB 4.11Å; Y689-L777 HydrophobicContact CD2-CD1 4.05Å; Y689-L777 HydrophobicContact CE1-CB 3.87Å; Y689-L777 HydrophobicContact CE1-CD1 4.47Å; Y689-L777 HydrophobicContact CE1-CD2 4.45Å; Y689-L777 HydrophobicContact CE1-CG 4.48Å; Y689-L777 HydrophobicContact CE2-CD1 3.87Å; Y689-L777 HydrophobicContact CE2-CD2 4.5Å; Y689-L777 HydrophobicContact CG-CD1 4.43Å; N717-L777 WeakPolarHBondContact CA-O 3.35Å; Y718-L777 PolarHBondContact N-O 2.58Å; Y718-L777 PolarHBondContact O-N 2.75Å; F734-L777 HydrophobicContact CD1-CD1 3.66Å; F734-L777 HydrophobicContact CD1-CD2 4.34Å; F734-L777 HydrophobicContact CE1-CD1 3.68Å; V736-L777 HydrophobicContact CG2-CD2 3.98Å; L777-T779 HydrophobicContact CG-CG2 4.42Å
778	A	91.8	Very high	87.4	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.5	174	0	0	0	0	0	110.5	Y687 G688 G716 N717	Y687-A778 WeakPolarHBondContact CA-O 3.25Å; G688-A778 PolarHBondContact N-O 3.13Å; G688-A778 PolarHBondContact O-N 2.85Å; G716-A778 CarbonylContact O-C 3.56Å; G716-A778 WeakPolarHBondContact O-CA 3.29Å; N717-A778 WeakPolarHBondContact OD1-CB 3.16Å
779	T	87.4	Confident	87.6	Confident	67 Å²	67	38.9 Å²	38.9	41%	0.411	22%	0.221	S	C	.	.	S	Bend	trans	-97.4	-23.9	177	64.1	0	0	0	0	112.9	Y687 G716 L777	Y687-T779 WeakPolarHBondContact CD2-O 3.37Å; Y687-T779 WeakPolarHBondContact CE2-O 3.3Å; G716-T779 WeakPolarHBondContact CA-OG1 3.23Å; G716-T779 PolarHBondContact O-N 3.18Å; G716-T779 PolarHBondContact O-OG1 3.1Å; L777-T779 HydrophobicContact CG-CG2 4.42Å
780	G	74.1	Confident	87.9	Confident	36 Å²	36	34 Å²	34	37%	0.371	20%	0.199	S	C	.	.	S	Bend	trans	-90.3	-4.4	178.8	0	0	0	0	0	115.3	A783	G780-A783 WeakPolarHBondContact O-CB 3.46Å; G780-A783 PolarHBondContact O-N 3.41Å
781	G	70.8	Confident	88.3	Confident	12 Å²	12	34.9 Å²	34.9	12%	0.124	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	57.9	-150.8	-172.2	0	0	0	0	0	113.1	G685 A783 N784	G685-G781 CarbonylContact O-C 3.56Å; G685-G781 WeakPolarHBondContact O-CA 3.44Å; G781-A783 PolarHBondContact O-N 3.29Å; G781-A783 VanDerWaalsContact O-N 3.09Å; G781-N784 PolarHBondContact O-N 2.78Å
782	D	69.4	Low	88.4	Confident	120 Å²	120	34.3 Å²	34.3	64%	0.642	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-68.1	-2.5	179	-73.6	-47.4	0	0	0	114.6	G685 N784	G685-D782 VanDerWaalsContact CA-OD1 3.23Å; G685-D782 WeakPolarHBondContact CA-OD1 3.5Å; G685-D782 PolarHBondContact N-OD1 2.78Å; G685-D782 PolarHBondContact O-N 3.15Å; D782-N784 VanDerWaalsContact C-N 3.34Å
783	A	73.9	Confident	88.3	Confident	83 Å²	83	35.6 Å²	35.6	69%	0.686	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-66.9	-35.3	174.5	0	0	0	0	0	112.3	G780 G781	G780-A783 WeakPolarHBondContact O-CB 3.46Å; G780-A783 PolarHBondContact O-N 3.41Å; G781-A783 PolarHBondContact O-N 3.29Å; G781-A783 VanDerWaalsContact O-N 3.09Å
784	N	79.6	Confident	88.2	Confident	44 Å²	44	34.7 Å²	34.7	24%	0.235	20%	0.202	C	C	.	.	S	Bend	trans	-126	82.4	171.8	-77.8	-28	0	0	0	108.3	D715 N717 G781 D782	D715-N784 WeakPolarHBondContact O-CB 3.2Å; D715-N784 PolarHBondContact O-ND2 3.35Å; N717-N784 PolarHBondContact ND2-O 2.76Å; G781-N784 PolarHBondContact O-N 2.78Å; D782-N784 VanDerWaalsContact C-N 3.34Å
785	P	85.1	Confident	88	Confident	41 Å²	41	36.7 Å²	36.7	27%	0.266	22%	0.215	S	C	.	.			trans	-66.1	137.5	-177.6	25.9	-33.2	0	0	0	110.7	N683	N683-P785 WeakPolarHBondContact O-CB 3.44Å
786	P	90	Very high	87.6	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	24%	0.235	C	C	.	.			trans	-62.4	159.9	-179.1	23.3	-31.7	0	0	0	111.9	Y682 N683 K684 N717 V776 I788	Y682-P786 HydrophobicContact CD1-CG 4.13Å; Y682-P786 HydrophobicContact CE1-CG 4.25Å; N683-P786 VanDerWaalsContact CA-O 3.28Å; N683-P786 WeakPolarHBondContact CA-O 3.48Å; K684-P786 WeakPolarHBondContact O-CG 3.25Å; N717-P786 HydrophobicContact CB-CB 4.28Å; V776-P786 HydrophobicContact CG2-CB 4.39Å; P786-I788 HydrophobicContact CB-CD1 4.15Å; P786-I788 HydrophobicContact CB-CG1 4.16Å
787	K	91.8	Very high	87.2	Confident	97 Å²	97	49 Å²	49	42%	0.422	28%	0.275	S	S	.	.			trans	-134.2	58.6	-176.5	-67.6	176.6	176.6	171.9	0	109.9	Q706 R707 H709	Q706-K787 VanDerWaalsContact OE1-C 3.27Å; R707-K787 PolarHBondContact N-O 3.09Å; R707-K787 WeakPolarHBondContact O-CB 3.38Å; H709-K787 PolarHBondContact ND1-NZ 1.86Å; H709-K787 VanDerWaalsContact ND1-NZ 3.17Å
788	I	93.9	Very high	86.8	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131.1	-172	-56.8	175.4	0	0	0	109.1	S681 Y682 I692 I704 K705 Q706 L719 V776 P786	S681-I788 CarbonylContact C-O 3.49Å; S681-I788 WeakPolarHBondContact CA-O 3.41Å; S681-I788 VanDerWaalsContact CB-O 3.32Å; S681-I788 WeakPolarHBondContact CB-O 3.34Å; Y682-I788 PolarHBondContact N-O 2.93Å; Y682-I788 PolarHBondContact O-N 2.76Å; I692-I788 HydrophobicContact CD1-CD1 3.48Å; I692-I788 VanDerWaalsContact CD1-CD1 3.48Å; I692-I788 HydrophobicContact CD1-CG2 4.4Å; I692-I788 HydrophobicContact CG1-CD1 4.37Å; I704-I788 HydrophobicContact CG2-CG2 4.19Å; K705-I788 CarbonylContact O-C 3.59Å; K705-I788 VanDerWaalsContact O-CA 3.26Å; K705-I788 WeakPolarHBondContact O-CA 3.16Å; Q706-I788 HydrophobicContact CB-CG1 4.01Å; Q706-I788 HydrophobicContact CG-CG1 4.37Å; Q706-I788 VanDerWaalsContact OE1-CG1 3.29Å; L719-I788 HydrophobicContact CD2-CD1 3.89Å; L719-I788 HydrophobicContact CD2-CG1 4.44Å; L719-I788 HydrophobicContact CD2-CG2 4.37Å; V776-I788 HydrophobicContact CB-CD1 3.72Å; V776-I788 HydrophobicContact CG1-CD1 4.13Å; V776-I788 HydrophobicContact CG2-CD1 4.08Å; P786-I788 HydrophobicContact CB-CD1 4.15Å; P786-I788 HydrophobicContact CB-CG1 4.16Å
789	K	94	Very high	86.3	Confident	130 Å²	130	55.2 Å²	55.2	57%	0.565	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.7	163.9	-69.2	-171.1	176.8	-173.1	0	108.6	G680 K705	G680-K789 WeakPolarHBondContact O-CA 3.42Å; K705-K789 PolarHBondContact N-O 2.84Å; K705-K789 PolarHBondContact O-N 2.85Å
790	Y	95.3	Very high	86.1	Confident	16 Å²	16	54.6 Å²	54.6	6%	0.063	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143.4	174.8	63.6	-101.6	0	0	0	111.5	I678 T679 G680 I692 V693 D703 F792	I678-Y790 HydrophobicContact CG2-CE2 4.46Å; T679-Y790 WeakPolarHBondContact CA-O 3.46Å; G680-Y790 PolarHBondContact N-O 3.4Å; G680-Y790 PolarHBondContact O-N 2.56Å; I692-Y790 HydrophobicContact CG2-CD1 3.71Å; I692-Y790 HydrophobicContact CG2-CE1 3.69Å; V693-Y790 HydrophobicContact CB-CE1 4.14Å; V693-Y790 HydrophobicContact CB-CE2 4.25Å; V693-Y790 HydrophobicContact CG1-CD1 4.13Å; V693-Y790 HydrophobicContact CG1-CD2 4.22Å; V693-Y790 HydrophobicContact CG1-CE1 4.18Å; V693-Y790 HydrophobicContact CG1-CE2 4.29Å; V693-Y790 HydrophobicContact CG1-CG 4.14Å; V693-Y790 HydrophobicContact CG2-CE2 4.09Å; D703-Y790 WeakPolarHBondContact O-CA 3.31Å; Y790-F792 HydrophobicContact CD2-CD1 4.18Å; Y790-F792 AromaticContact CD2-CE1 3.82Å; Y790-F792 HydrophobicContact CD2-CE1 3.82Å; Y790-F792 HydrophobicContact CE2-CE1 4.04Å
791	T	95.5	Very high	86	Confident	41 Å²	41	58.2 Å²	58.2	25%	0.252	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139.5	170.4	62.5	0	0	0	0	110.3	I678 T679 D703	I678-T791 VanDerWaalsContact O-CA 3.31Å; I678-T791 WeakPolarHBondContact O-CA 3.49Å; T679-T791 HydrophobicContact CG2-CG2 3.8Å; D703-T791 PolarHBondContact N-O 3.06Å; D703-T791 PolarHBondContact O-N 3.26Å
792	F	95	Very high	85.4	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	171.5	171	55.8	-88.3	0	0	0	109.6	I678 V693 I695 A699 I702 Y790 I794 F800	I678-F792 HydrophobicContact CB-CD1 4.48Å; I678-F792 HydrophobicContact CB-CD2 4.04Å; I678-F792 HydrophobicContact CB-CE1 4.23Å; I678-F792 HydrophobicContact CB-CE2 3.77Å; I678-F792 HydrophobicContact CB-CG 4.39Å; I678-F792 HydrophobicContact CB-CZ 3.88Å; I678-F792 HydrophobicContact CG1-CD2 4.27Å; I678-F792 HydrophobicContact CG1-CE2 3.86Å; I678-F792 HydrophobicContact CG1-CZ 4.33Å; I678-F792 HydrophobicContact CG2-CE1 3.88Å; I678-F792 HydrophobicContact CG2-CE2 3.97Å; I678-F792 HydrophobicContact CG2-CZ 3.56Å; I678-F792 PolarHBondContact N-O 2.9Å; I678-F792 PolarHBondContact O-N 3.36Å; V693-F792 HydrophobicContact CG2-CE1 3.97Å; V693-F792 HydrophobicContact CG2-CZ 4.04Å; I695-F792 HydrophobicContact CD1-CD1 4.15Å; I695-F792 HydrophobicContact CD1-CE1 4.39Å; I695-F792 HydrophobicContact CG1-CD1 4.25Å; I695-F792 HydrophobicContact CG1-CE1 4.03Å; I695-F792 HydrophobicContact CG1-CZ 4.3Å; I695-F792 HydrophobicContact CG2-CD2 4.02Å; I695-F792 HydrophobicContact CG2-CE2 4.14Å; I695-F792 HydrophobicContact CG2-CG 4.25Å; I695-F792 HydrophobicContact CG2-CZ 4.47Å; A699-F792 HydrophobicContact CB-CD2 4.26Å; I702-F792 HydrophobicContact CB-CB 4.42Å; I702-F792 HydrophobicContact CG1-CB 3.88Å; Y790-F792 HydrophobicContact CD2-CD1 4.18Å; Y790-F792 AromaticContact CD2-CE1 3.82Å; Y790-F792 HydrophobicContact CD2-CE1 3.82Å; Y790-F792 HydrophobicContact CE2-CE1 4.04Å; F792-I794 HydrophobicContact CD2-CG2 3.75Å; F792-I794 HydrophobicContact CE2-CG2 3.65Å; F792-F800 HydrophobicContact CE2-CE2 4.27Å; F792-F800 AromaticContact CZ-CE2 3.79Å; F792-F800 HydrophobicContact CZ-CE2 3.79Å; F792-F800 AromaticContact CZ-CZ 3.85Å; F792-F800 HydrophobicContact CZ-CZ 3.85Å
793	F	93.2	Very high	84.5	Confident	28 Å²	28	62.2 Å²	62.2	12%	0.123	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	147.8	174.7	-66.2	-102.5	0	0	0	110	K664 C675 R676 K677 A699 T700 N701	K664-F793 HydrophobicContact CB-CE1 4.36Å; K664-F793 HydrophobicContact CB-CZ 4.23Å; K664-F793 HydrophobicContact CD-CE1 4Å; K664-F793 HydrophobicContact CD-CZ 4.29Å; K664-F793 HydrophobicContact CG-CD1 4.38Å; K664-F793 HydrophobicContact CG-CE1 3.99Å; K664-F793 HydrophobicContact CG-CZ 4.33Å; C675-F793 HydrophobicContact CB-CB 4.28Å; C675-F793 VanDerWaalsContact SG-CD1 3.56Å; R676-F793 WeakPolarHBondContact O-CA 3.33Å; K677-F793 HydrophobicContact CB-CD1 3.94Å; K677-F793 HydrophobicContact CB-CE1 3.63Å; K677-F793 HydrophobicContact CB-CZ 4.13Å; K677-F793 HydrophobicContact CD-CE1 4.25Å; K677-F793 HydrophobicContact CD-CZ 3.93Å; K677-F793 HydrophobicContact CG-CD1 4.37Å; K677-F793 HydrophobicContact CG-CE1 3.9Å; K677-F793 HydrophobicContact CG-CE2 4.26Å; K677-F793 HydrophobicContact CG-CZ 3.84Å; A699-F793 CarbonylContact C-O 3.57Å; A699-F793 WeakPolarHBondContact CA-O 3.44Å; A699-F793 WeakPolarHBondContact CB-O 3.45Å; T700-F793 PolarHBondContact N-O 3.36Å; T700-F793 PolarHBondContact O-N 2.82Å; N701-F793 HydrophobicContact CB-CD2 3.81Å; N701-F793 HydrophobicContact CB-CE2 4.16Å
794	I	93.4	Very high	82.9	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	153.4	172.8	63.8	176.9	0	0	0	109.8	C675 R676 I678 P696 A699 F792 T798 F800	C675-I794 CarbonylContact C-O 3.56Å; C675-I794 WeakPolarHBondContact CA-O 3.42Å; C675-I794 VanDerWaalsContact CB-O 3.23Å; C675-I794 WeakPolarHBondContact CB-O 3.49Å; R676-I794 HydrophobicContact CG-CD1 4.47Å; R676-I794 HydrophobicContact CG-CG1 3.78Å; R676-I794 PolarHBondContact N-O 3.09Å; R676-I794 PolarHBondContact O-N 3.05Å; I678-I794 HydrophobicContact CD1-CD1 3.83Å; I678-I794 HydrophobicContact CD1-CG1 4.17Å; I678-I794 HydrophobicContact CG1-CD1 3.84Å; I678-I794 HydrophobicContact CG1-CG1 3.9Å; I678-I794 HydrophobicContact CG1-CG2 4.32Å; P696-I794 HydrophobicContact CG-CG2 3.83Å; A699-I794 HydrophobicContact CB-CG2 4.05Å; F792-I794 HydrophobicContact CD2-CG2 3.75Å; F792-I794 HydrophobicContact CE2-CG2 3.65Å; I794-T798 HydrophobicContact CD1-CG2 4.45Å; I794-F800 HydrophobicContact CD1-CB 3.63Å; I794-F800 HydrophobicContact CD1-CG 4.19Å
795	P	92	Very high	80.8	Confident	43 Å²	43	73.4 Å²	73.4	28%	0.279	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	146.9	169.3	-23.2	32.6	0	0	0	111.5	D797 T798	P795-D797 PolarHBondContact O-N 2.71Å; P795-T798 WeakPolarHBondContact CB-OG1 3.24Å; P795-T798 WeakPolarHBondContact CD-OG1 3.42Å; P795-T798 WeakPolarHBondContact O-CB 3.39Å; P795-T798 PolarHBondContact O-N 3.1Å
796	K	87.2	Confident	78.5	Confident	107 Å²	107	81.6 Å²	81.6	47%	0.465	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-38.9	-176	-84.1	172.8	178.1	174.2	0	113.3	L673 S674 R676	L673-K796 WeakPolarHBondContact O-CE 3.35Å; L673-K796 PolarHBondContact O-NZ 2.98Å; S674-K796 WeakPolarHBondContact O-CG 3.39Å; S674-K796 PolarHBondContact O-N 2.9Å; S674-K796 VanDerWaalsContact O-N 3.13Å; R676-K796 PolarHBondContact NE-O 2.85Å; R676-K796 PolarHBondContact NH2-O 2.94Å
797	D	84.5	Confident	75.9	Confident	157 Å²	157	90.8 Å²	90.8	84%	0.84	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-12	-173.6	-46.7	-61.5	0	0	0	113.2	P795 A799	P795-D797 PolarHBondContact O-N 2.71Å; D797-A799 PolarHBondContact O-N 2.75Å; D797-A799 VanDerWaalsContact O-N 3.11Å
798	T	85.4	Confident	73	Confident	38 Å²	38	89.8 Å²	89.8	23%	0.233	48%	0.478	C	S	.	.	S	Bend	trans	-67.5	109.9	176.9	-54.6	0	0	0	0	110.3	R676 P696 I794 P795 F800	R676-T798 PolarHBondContact NH2-O 3.2Å; P696-T798 HydrophobicContact CB-CG2 4.46Å; P696-T798 HydrophobicContact CG-CG2 4.27Å; I794-T798 HydrophobicContact CD1-CG2 4.45Å; P795-T798 WeakPolarHBondContact CB-OG1 3.24Å; P795-T798 WeakPolarHBondContact CD-OG1 3.42Å; P795-T798 WeakPolarHBondContact O-CB 3.39Å; P795-T798 PolarHBondContact O-N 3.1Å; T798-F800 PolarHBondContact O-N 2.71Å
799	A	80.6	Confident	70.2	Confident	96 Å²	96	96.1 Å²	96.1	79%	0.793	51%	0.511	S	S	*	.			trans	-60.1	129	174	0	0	0	0	0	111	D797	D797-A799 PolarHBondContact O-N 2.75Å; D797-A799 VanDerWaalsContact O-N 3.11Å
800	F	83.8	Confident	67.4	Low	54 Å²	54	101.4 Å²	101.4	24%	0.237	53%	0.529	C	S	.	.			trans	-137	116.7	-179.5	-177.7	-96.2	0	0	0	110.2	I678 V693 F792 I794 T798 K802	I678-F800 HydrophobicContact CD1-CD1 4.06Å; I678-F800 HydrophobicContact CD1-CG 4.47Å; I678-F800 HydrophobicContact CG1-CD1 4.48Å; I678-F800 HydrophobicContact CG2-CD1 4.21Å; I678-F800 HydrophobicContact CG2-CE1 3.64Å; I678-F800 HydrophobicContact CG2-CZ 3.95Å; V693-F800 HydrophobicContact CG2-CE2 4.25Å; V693-F800 HydrophobicContact CG2-CZ 3.84Å; F792-F800 HydrophobicContact CE2-CE2 4.27Å; F792-F800 AromaticContact CZ-CE2 3.79Å; F792-F800 HydrophobicContact CZ-CE2 3.79Å; F792-F800 AromaticContact CZ-CZ 3.85Å; F792-F800 HydrophobicContact CZ-CZ 3.85Å; I794-F800 HydrophobicContact CD1-CB 3.63Å; I794-F800 HydrophobicContact CD1-CG 4.19Å; T798-F800 PolarHBondContact O-N 2.71Å; F800-K802 HydrophobicContact CE1-CG 3.86Å
801	S	71.2	Confident	64.7	Low	113 Å²	113	108.2 Å²	108.2	79%	0.79	57%	0.565	S	S	*	*			trans	-107.9	121.1	177.8	-170.1	0	0	0	0	109.6
802	K	59.3	Low	61.7	Low	116 Å²	116	111.1 Å²	111.1	50%	0.504	59%	0.587	S	S	.	*			trans	-67.9	142	166.1	-73.2	-174.2	171.7	-177.9	0	109	T679 F800	T679-K802 WeakPolarHBondContact O-CE 3.43Å; T679-K802 PolarHBondContact O-NZ 3.45Å; F800-K802 HydrophobicContact CE1-CG 3.86Å
803	S	49.4	Very low	58.8	Low	99 Å²	99	118.4 Å²	118.4	69%	0.692	63%	0.626	S	S	*	*			trans	-55.2	146.2	171.6	43.5	0	0	0	0	110.6	E805	S803-E805 PolarHBondContact O-N 3.43Å
804	K	40.1	Very low	55.8	Low	213 Å²	213	126 Å²	126	93%	0.926	66%	0.661	S	S	*	*			trans	-62.5	100.7	-161.1	-70	176.1	178.5	171.5	0	113.8
805	E	36.7	Very low	52.7	Low	149 Å²	149	134.6 Å²	134.6	70%	0.696	70%	0.703	S	S	*	*			trans	-109.7	149.1	149.5	-68.3	-164.8	140.3	0	0	110.2	K684 S803	K684-E805 IonicContact NZ-OE1 2.75Å; K684-E805 PolarHBondContact NZ-OE1 3.38Å; S803-E805 PolarHBondContact O-N 3.43Å
806	K	35.4	Very low	50.5	Low	213 Å²	213	140.5 Å²	140.5	93%	0.926	73%	0.731	S	S	*	*			trans	-72.3	138.9	-169.5	-74.4	-178.9	176.2	177.5	0	111.3	G808	K806-G808 PolarHBondContact O-N 2.03Å
807	K	35.8	Very low	48	Very low	194 Å²	194	140.1 Å²	140.1	84%	0.843	74%	0.742	S	S	*	*			trans	-61.2	131	178.5	-63.8	179.8	177.9	-179.5	0	111.8	L809	K807-L809 HydrophobicContact CB-CD1 4.26Å; K807-L809 HydrophobicContact CD-CD1 4.29Å
808	G	30.9	Very low	46.5	Very low	77 Å²	77	138.6 Å²	138.6	79%	0.794	73%	0.734	S	S	*	*			trans	-105.7	129.5	142.7	0	0	0	0	0	108.2	K806	K806-G808 PolarHBondContact O-N 2.03Å
809	L	35.5	Very low	45.2	Very low	134 Å²	134	142.7 Å²	142.7	70%	0.702	76%	0.759	S	S	*	*			trans	-88.7	126.2	172.8	-88	77.1	0	0	0	109.6	K807	K807-L809 HydrophobicContact CB-CD1 4.26Å; K807-L809 HydrophobicContact CD-CD1 4.29Å
810	Y	36	Very low	44.5	Very low	241 Å²	241	138.8 Å²	138.8	95%	0.945	73%	0.725	S	S	*	*			trans	-140.7	138.3	138.4	-90.2	-74.5	0	0	0	108.3
811	L	37.3	Very low	43.9	Very low	159 Å²	159	141.4 Å²	141.4	83%	0.832	74%	0.742	S	S	*	*			trans	-139.2	101.2	-171.1	-149.4	175.7	0	0	0	109.7
812	S	33.2	Very low	44.2	Very low	102 Å²	102	137.9 Å²	137.9	71%	0.713	71%	0.711	S	S	*	*			trans	-157.5	117.2	164.6	-175.2	0	0	0	0	104.9
813	L	34.7	Very low	45	Very low	154 Å²	154	135.7 Å²	135.7	81%	0.806	71%	0.708	S	S	*	*			cis	72.3	64.6	43.5	-153.9	80.9	0	0	0	113.2
814	H	28.7	Very low	46.3	Very low	187 Å²	187	134.7 Å²	134.7	87%	0.866	69%	0.694	S	S	*	*			trans	-123.9	161.1	157.9	-102.4	28.1	0	0	0	111.6
815	M	28.9	Very low	47.8	Very low	180 Å²	180	125.7 Å²	125.7	89%	0.887	66%	0.661	S	S	*	*			trans	-76	173.6	-160.6	-71.3	-69.3	-158.1	0	0	114.5
816	I	45.8	Very low	49.7	Very low	167 Å²	167	127 Å²	127	86%	0.856	67%	0.667	S	S	*	*			trans	-57.6	136.1	169.4	-59.2	162.8	0	0	0	110.4
817	S	36	Very low	51.7	Low	100 Å²	100	120.6 Å²	120.6	70%	0.699	64%	0.638	S	S	*	*			trans	-147.3	152.8	159.9	-66.9	0	0	0	0	108.6	V819	S817-V819 PolarHBondContact O-N 2.84Å
818	D	51.3	Low	53.6	Low	125 Å²	125	114.3 Å²	114.3	67%	0.668	62%	0.618	S	S	*	*			trans	-61.3	120.4	-176.1	-78.4	-76	0	0	0	113.7	S820	D818-S820 PolarHBondContact O-N 3.13Å
819	V	57.8	Low	55.8	Low	124 Å²	124	119.2 Å²	119.2	75%	0.752	62%	0.62	S	S	*	*			trans	-86	99.6	177.7	-177.4	0	0	0	0	108.5	S817	S817-V819 PolarHBondContact O-N 2.84Å
820	S	66.5	Low	57.9	Low	14 Å²	14	115 Å²	115	10%	0.098	60%	0.601	C	S	.	*			trans	-64.5	133.9	167.8	-55.5	0	0	0	0	110.1	D818 R846 S853 C856	D818-S820 PolarHBondContact O-N 3.13Å; S820-R846 CarbonylContact C-O 3.4Å; S820-R846 WeakPolarHBondContact CA-O 3.32Å; S820-R846 WeakPolarHBondContact CB-O 3.28Å; S820-S853 WeakPolarHBondContact CB-OG 3.39Å; S820-S853 WeakPolarHBondContact OG-CB 3.04Å; S820-S853 PolarHBondContact OG-OG 2.81Å; S820-C856 WeakPolarHBondContact CB-SG 3.02Å; S820-C856 PolarHBondContact O-SG 2.84Å
821	D	71.3	Confident	59.9	Low	109 Å²	109	107.3 Å²	107.3	58%	0.583	58%	0.583	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-124.5	160.5	-176.4	-154.9	-5.3	0	0	0	112.1	V823 R846 C856	D821-V823 PolarHBondContact O-N 2.96Å; D821-R846 PolarHBondContact N-O 2.98Å; D821-R846 PolarHBondContact O-N 3.05Å; D821-C856 VanDerWaalsContact C-SG 3.53Å; D821-C856 PolarHBondContact N-SG 2.82Å; D821-C856 VanDerWaalsContact N-SG 3.44Å; D821-C856 PolarHBondContact O-SG 2.69Å; D821-C856 VanDerWaalsContact O-SG 3.37Å
822	W	76.8	Confident	61.4	Low	39 Å²	39	105.1 Å²	105.1	15%	0.148	57%	0.567	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.3	98.2	-177.4	-70.1	106.7	0	0	0	111.3	V843 E844 C845 C856 D857 K861 P862	W822-V843 HydrophobicContact CB-CG1 4.49Å; W822-V843 HydrophobicContact CD2-CG1 4.35Å; W822-V843 HydrophobicContact CE3-CG1 3.79Å; W822-V843 HydrophobicContact CZ3-CG1 4.43Å; W822-E844 CarbonylContact C-O 3.04Å; W822-C845 HydrophobicContact CD2-CB 4.49Å; W822-C845 HydrophobicContact CE3-CB 3.91Å; W822-C845 HydrophobicContact CH2-CB 3.99Å; W822-C845 HydrophobicContact CZ3-CB 3.65Å; W822-C856 HydrophobicContact CD2-CB 3.91Å; W822-C856 VanDerWaalsContact CE2-CB 3.41Å; W822-C856 HydrophobicContact CG-CB 4.25Å; W822-C856 HydrophobicContact CH2-CB 4.38Å; W822-C856 HydrophobicContact CZ2-CB 3.68Å; W822-D857 PolarHBondContact NE1-O 3.05Å; W822-K861 HydrophobicContact CD2-CB 4.23Å; W822-K861 HydrophobicContact CD2-CG 3.99Å; W822-K861 HydrophobicContact CE3-CG 3.96Å; W822-K861 HydrophobicContact CH2-CB 4.25Å; W822-K861 HydrophobicContact CH2-CD 4.18Å; W822-K861 HydrophobicContact CH2-CG 3.89Å; W822-K861 HydrophobicContact CZ2-CB 3.77Å; W822-K861 HydrophobicContact CZ2-CG 3.91Å; W822-K861 HydrophobicContact CZ3-CD 4.26Å; W822-K861 HydrophobicContact CZ3-CG 3.91Å; W822-P862 VanDerWaalsContact CB-CD 3.46Å; W822-P862 HydrophobicContact CB-CG 4.06Å
823	V	77.9	Confident	62.9	Low	70 Å²	70	104.9 Å²	104.9	42%	0.424	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.5	137.8	173.3	178.8	0	0	0	0	110	D821 E844 R846	D821-V823 PolarHBondContact O-N 2.96Å; V823-E844 PolarHBondContact N-O 3.19Å; V823-E844 PolarHBondContact O-N 3.33Å; V823-R846 HydrophobicContact CB-CG 4.44Å; V823-R846 HydrophobicContact CG2-CB 4.01Å; V823-R846 HydrophobicContact CG2-CG 4.21Å
824	L	76.4	Confident	64.4	Low	78 Å²	78	98.6 Å²	98.6	41%	0.408	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.2	-170	-56	173.8	0	0	0	109.9	V843 P862	L824-V843 HydrophobicContact CD2-CB 4.18Å; L824-V843 HydrophobicContact CD2-CG1 3.8Å; L824-V843 HydrophobicContact CD2-CG2 3.74Å; L824-P862 HydrophobicContact CD1-CB 4.34Å; L824-P862 HydrophobicContact CD1-CG 4.35Å; L824-P862 HydrophobicContact CD2-CB 3.79Å; L824-P862 HydrophobicContact CD2-CG 3.88Å
825	G	72.1	Confident	66.1	Low	23 Å²	23	90.4 Å²	90.4	24%	0.237	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-72.7	170	168.8	0	0	0	0	0	112.4	R841 S842	G825-R841 WeakPolarHBondContact O-CD 3.19Å; G825-S842 PolarHBondContact N-O 3.39Å
826	E	75.4	Confident	68.2	Low	177 Å²	177	85.5 Å²	85.5	83%	0.827	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-63.6	154.7	169.7	-69.4	-61.6	161.2	0	0	111.5	R841	E826-R841 WeakPolarHBondContact O-CB 3.35Å
827	W	78.6	Confident	69.6	Low	79 Å²	79	77.6 Å²	77.6	30%	0.299	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-76.9	135.5	174.7	-73.8	109.9	0	0	0	111.1	S839 R841 R866	W827-S839 WeakPolarHBondContact CB-OG 3.29Å; W827-S839 WeakPolarHBondContact CZ3-O 3.49Å; W827-R841 HydrophobicContact CD2-CB 4.17Å; W827-R841 HydrophobicContact CD2-CG 4.17Å; W827-R841 HydrophobicContact CE3-CB 3.86Å; W827-R841 HydrophobicContact CE3-CG 3.84Å; W827-R841 HydrophobicContact CH2-CG 3.88Å; W827-R841 HydrophobicContact CZ2-CG 4.25Å; W827-R841 HydrophobicContact CZ3-CB 4.17Å; W827-R841 HydrophobicContact CZ3-CG 3.67Å; W827-R866 HydrophobicContact CE3-CB 4.34Å; W827-R866 HydrophobicContact CH2-CB 3.54Å; W827-R866 HydrophobicContact CZ2-CB 3.85Å; W827-R866 HydrophobicContact CZ3-CB 3.8Å
828	S	74.9	Confident	71.4	Confident	61 Å²	61	79.1 Å²	79.1	43%	0.427	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-64	166.4	171.3	75.6	0	0	0	0	111.3	S839 R840	S828-S839 PolarHBondContact N-OG 3.29Å; S828-S839 WeakPolarHBondContact O-CB 3.12Å; S828-S839 PolarHBondContact O-OG 3.28Å; S828-S839 PolarHBondContact OG-OG 2.9Å; S828-R840 VanDerWaalsContact CB-O 3.32Å; S828-R840 WeakPolarHBondContact CB-O 3.35Å; S828-R840 PolarHBondContact N-O 3.11Å; S828-R840 PolarHBondContact OG-N 3.25Å; S828-R840 PolarHBondContact OG-O 3.33Å
829	E	76.4	Confident	72.4	Confident	181 Å²	181	73.5 Å²	73.5	85%	0.846	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-55.7	157.3	161.7	-57.7	-167.4	151.4	0	0	111.3
830	C	80.4	Confident	73.5	Confident	45 Å²	45	75.8 Å²	75.8	30%	0.304	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-76	138.1	-176.2	-166.4	0	0	0	0	110.7	K832 C868	C830-K832 WeakPolarHBondContact CB-O 3.16Å; C830-K832 PolarHBondContact O-N 2.03Å; C830-K832 PolarHBondContact SG-O 3.44Å; C830-C868 WeakPolarHBondContact CA-SG 3.44Å; C830-C868 HydrophobicContact CB-CB 3.87Å; C830-C868 WeakPolarHBondContact CB-SG 3.26Å; C830-C868 WeakPolarHBondContact SG-CB 3.19Å; C830-C868 CovalentContact SG-SG 2.03Å; C830-C868 PolarHBondContact SG-SG 2.83Å
831	S	77.6	Confident	74.1	Confident	79 Å²	79	77.4 Å²	77.4	55%	0.552	40%	0.403	S	S	*	.	S	Bend	trans	-66	1.9	178.2	81.6	0	0	0	0	115.1	W838	S831-W838 VanDerWaalsContact CB-O 3.23Å; S831-W838 WeakPolarHBondContact CB-O 3.49Å; S831-W838 PolarHBondContact N-O 3.45Å; S831-W838 PolarHBondContact OG-N 3.01Å; S831-W838 PolarHBondContact OG-O 3.1Å
832	K	68.3	Low	74.5	Confident	114 Å²	114	74.7 Å²	74.7	50%	0.496	39%	0.392	S	S	.	.			trans	-151.3	147.3	173.8	-62.4	-172.4	-174.9	165.7	0	109.3	C830 S836	C830-K832 WeakPolarHBondContact CB-O 3.16Å; C830-K832 PolarHBondContact O-N 2.03Å; C830-K832 PolarHBondContact SG-O 3.44Å; K832-S836 WeakPolarHBondContact CD-O 3.45Å; K832-S836 PolarHBondContact NZ-O 3.08Å
833	S	65.9	Low	74.9	Confident	97 Å²	97	73.7 Å²	73.7	68%	0.678	39%	0.39	S	S	*	.	S	Bend	trans	-75	-34.6	173.4	45.1	0	0	0	0	113
834	C	64.6	Low	75.2	Confident	21 Å²	21	72.8 Å²	72.8	14%	0.142	38%	0.382	C	S	.	.	S	Bend	trans	-141.2	158.1	177.5	61.5	0	0	0	0	112.4
835	G	65.7	Low	75.6	Confident	16 Å²	16	69.6 Å²	69.6	17%	0.165	37%	0.366	C	S	.	.	S	Bend	trans	63.8	-179.1	-172	0	0	0	0	0	113.4	G837 G869 V871	G835-G837 PolarHBondContact O-N 3.4Å; G835-G869 CarbonylContact C-O 3.48Å; G835-G869 VanDerWaalsContact CA-O 3.3Å; G835-G869 WeakPolarHBondContact CA-O 3.45Å; G835-G869 PolarHBondContact N-O 2.85Å; G835-G869 CarbonylContact O-C 3.49Å; G835-G869 WeakPolarHBondContact O-CA 3.41Å; G835-V871 PolarHBondContact N-O 3.42Å
836	S	71.5	Confident	75.9	Confident	77 Å²	77	72 Å²	72	54%	0.538	37%	0.367	S	S	.	.	S	Bend	trans	-64	97.5	-174.1	-54.8	0	0	0	0	113	K832	K832-S836 WeakPolarHBondContact CD-O 3.45Å; K832-S836 PolarHBondContact NZ-O 3.08Å
837	G	75.2	Confident	76.1	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-178.3	165.2	0	0	0	0	0	111.3	G835 P867 C868	G835-G837 PolarHBondContact O-N 3.4Å; G837-P867 WeakPolarHBondContact O-CA 3.43Å; G837-C868 CarbonylContact C-O 3.6Å; G837-C868 PolarHBondContact N-O 3.23Å; G837-C868 PolarHBondContact O-N 2.79Å
838	W	75.1	Confident	75.4	Confident	132 Å²	132	64.8 Å²	64.8	50%	0.5	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	137.2	-179.3	-58.5	88.5	0	0	0	111.1	S831 I865 R866 P867	S831-W838 VanDerWaalsContact CB-O 3.23Å; S831-W838 WeakPolarHBondContact CB-O 3.49Å; S831-W838 PolarHBondContact N-O 3.45Å; S831-W838 PolarHBondContact OG-N 3.01Å; S831-W838 PolarHBondContact OG-O 3.1Å; W838-I865 HydrophobicContact CB-CD1 3.92Å; W838-I865 HydrophobicContact CB-CG1 3.94Å; W838-I865 HydrophobicContact CD2-CD1 4.32Å; W838-I865 HydrophobicContact CD2-CG1 4.43Å; W838-I865 HydrophobicContact CE3-CD1 4.23Å; W838-I865 HydrophobicContact CE3-CG1 3.96Å; W838-I865 HydrophobicContact CG-CD1 4.21Å; W838-I865 HydrophobicContact CG-CG1 4.46Å; W838-R866 CarbonylContact C-O 3.22Å; W838-R866 WeakPolarHBondContact CA-O 2.83Å; W838-P867 HydrophobicContact CE3-CB 4.4Å; W838-P867 HydrophobicContact CZ3-CB 4.35Å
839	S	70.9	Confident	75.3	Confident	7 Å²	7	68.7 Å²	68.7	5%	0.049	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	148.5	170.7	169	0	0	0	0	108.9	W827 S828 I865 R866 C868	W827-S839 WeakPolarHBondContact CB-OG 3.29Å; W827-S839 WeakPolarHBondContact CZ3-O 3.49Å; S828-S839 PolarHBondContact N-OG 3.29Å; S828-S839 WeakPolarHBondContact O-CB 3.12Å; S828-S839 PolarHBondContact O-OG 3.28Å; S828-S839 PolarHBondContact OG-OG 2.9Å; S839-I865 CarbonylContact O-C 3.6Å; S839-I865 WeakPolarHBondContact O-CA 3.39Å; S839-I865 WeakPolarHBondContact O-CG1 2.66Å; S839-R866 PolarHBondContact N-O 3.11Å; S839-R866 PolarHBondContact O-N 3.09Å; S839-C868 PolarHBondContact N-SG 3.23Å
840	R	82.3	Confident	74.7	Confident	173 Å²	173	61.5 Å²	61.5	65%	0.653	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	157.2	-177.9	-69.1	-179.9	178.3	173.3	-0.3	111.9	S828 D864 I865	S828-R840 VanDerWaalsContact CB-O 3.32Å; S828-R840 WeakPolarHBondContact CB-O 3.35Å; S828-R840 PolarHBondContact N-O 3.11Å; S828-R840 PolarHBondContact OG-N 3.25Å; S828-R840 PolarHBondContact OG-O 3.33Å; R840-D864 CarbonylContact C-O 3.57Å; R840-D864 WeakPolarHBondContact CA-O 3.18Å; R840-I865 HydrophobicContact CG-CB 4.43Å; R840-I865 HydrophobicContact CG-CD1 4.23Å; R840-I865 HydrophobicContact CG-CG1 3.97Å
841	R	79.4	Confident	74.4	Confident	47 Å²	47	66.2 Å²	66.2	18%	0.177	36%	0.361	C	S	.	.			trans	-145.2	162.4	173.5	63.4	176.7	170.7	-172.3	-3.7	111.5	G825 E826 W827 V843 T863 D864	G825-R841 WeakPolarHBondContact O-CD 3.19Å; E826-R841 WeakPolarHBondContact O-CB 3.35Å; W827-R841 HydrophobicContact CD2-CB 4.17Å; W827-R841 HydrophobicContact CD2-CG 4.17Å; W827-R841 HydrophobicContact CE3-CB 3.86Å; W827-R841 HydrophobicContact CE3-CG 3.84Å; W827-R841 HydrophobicContact CH2-CG 3.88Å; W827-R841 HydrophobicContact CZ2-CG 4.25Å; W827-R841 HydrophobicContact CZ3-CB 4.17Å; W827-R841 HydrophobicContact CZ3-CG 3.67Å; R841-V843 HydrophobicContact CG-CG2 4.02Å; R841-T863 PolarHBondContact NE-O 2.86Å; R841-T863 PolarHBondContact NH2-O 3.38Å; R841-D864 PolarHBondContact N-O 3.1Å
842	S	79.2	Confident	74.3	Confident	52 Å²	52	69.5 Å²	69.5	36%	0.364	37%	0.365	S	S	.	.			trans	-70.7	143.7	165.1	74.3	0	0	0	0	110.8	G825 E844	G825-S842 PolarHBondContact N-O 3.39Å; S842-E844 WeakPolarHBondContact CB-OE1 3.2Å; S842-E844 PolarHBondContact OG-OE1 3.09Å
843	V	84.8	Confident	74.8	Confident	18 Å²	18	65.3 Å²	65.3	11%	0.109	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	96.9	175.8	178.8	0	0	0	0	106.5	W822 L824 R841 K861 D864	W822-V843 HydrophobicContact CB-CG1 4.49Å; W822-V843 HydrophobicContact CD2-CG1 4.35Å; W822-V843 HydrophobicContact CE3-CG1 3.79Å; W822-V843 HydrophobicContact CZ3-CG1 4.43Å; L824-V843 HydrophobicContact CD2-CB 4.18Å; L824-V843 HydrophobicContact CD2-CG1 3.8Å; L824-V843 HydrophobicContact CD2-CG2 3.74Å; R841-V843 HydrophobicContact CG-CG2 4.02Å; V843-K861 HydrophobicContact CG1-CD 4.34Å; V843-K861 HydrophobicContact CG1-CG 3.72Å; V843-D864 HydrophobicContact CB-CB 4.36Å; V843-D864 HydrophobicContact CG2-CB 3.71Å
844	E	84.9	Confident	75.2	Confident	52 Å²	52	65.7 Å²	65.7	24%	0.243	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.1	-165.5	-65.4	166.9	-150.2	0	0	109.2	W822 V823 S842 R846 F852	W822-E844 CarbonylContact C-O 3.04Å; V823-E844 PolarHBondContact N-O 3.19Å; V823-E844 PolarHBondContact O-N 3.33Å; S842-E844 WeakPolarHBondContact CB-OE1 3.2Å; S842-E844 PolarHBondContact OG-OE1 3.09Å; E844-R846 IonicContact OE2-CZ 2.64Å; E844-R846 IonicContact OE2-NE 3.39Å; E844-R846 PolarHBondContact OE2-NE 3.14Å; E844-R846 IonicContact OE2-NH2 2.68Å; E844-R846 PolarHBondContact OE2-NH2 2.92Å; E844-F852 HydrophobicContact CB-CE1 4Å; E844-F852 HydrophobicContact CG-CE1 3.87Å; E844-F852 WeakPolarHBondContact OE2-CE1 3.42Å; E844-F852 WeakPolarHBondContact OE2-CZ 3.09Å
845	C	83.3	Confident	75.7	Confident	11 Å²	11	72.2 Å²	72.2	7%	0.074	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	128.4	171.7	174.1	0	0	0	0	109.2	W822 S853 C856	W822-C845 HydrophobicContact CD2-CB 4.49Å; W822-C845 HydrophobicContact CE3-CB 3.91Å; W822-C845 HydrophobicContact CH2-CB 3.99Å; W822-C845 HydrophobicContact CZ3-CB 3.65Å; C845-S853 VanDerWaalsContact CB-O 3.24Å; C845-S853 WeakPolarHBondContact CB-O 3.4Å; C845-S853 PolarHBondContact O-N 2.9Å; C845-S853 PolarHBondContact SG-O 2.81Å; C845-C856 WeakPolarHBondContact CA-SG 3.44Å; C845-C856 HydrophobicContact CB-CB 3.71Å; C845-C856 WeakPolarHBondContact CB-SG 3.05Å; C845-C856 WeakPolarHBondContact SG-CB 3.37Å; C845-C856 PolarHBondContact SG-N 2.91Å; C845-C856 CovalentContact SG-SG 2.02Å; C845-C856 PolarHBondContact SG-SG 2.63Å
846	R	80.3	Confident	76.2	Confident	72 Å²	72	71.8 Å²	71.8	27%	0.272	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.6	177.7	-64.2	-178.5	176.9	-119.9	5.9	112.1	S820 D821 V823 E844 G850 F851	S820-R846 CarbonylContact C-O 3.4Å; S820-R846 WeakPolarHBondContact CA-O 3.32Å; S820-R846 WeakPolarHBondContact CB-O 3.28Å; D821-R846 PolarHBondContact N-O 2.98Å; D821-R846 PolarHBondContact O-N 3.05Å; V823-R846 HydrophobicContact CB-CG 4.44Å; V823-R846 HydrophobicContact CG2-CB 4.01Å; V823-R846 HydrophobicContact CG2-CG 4.21Å; E844-R846 IonicContact OE2-CZ 2.64Å; E844-R846 IonicContact OE2-NE 3.39Å; E844-R846 PolarHBondContact OE2-NE 3.14Å; E844-R846 IonicContact OE2-NH2 2.68Å; E844-R846 PolarHBondContact OE2-NH2 2.92Å; R846-G850 WeakPolarHBondContact CD-O 3.32Å; R846-G850 PolarHBondContact NH1-O 3.17Å; R846-F851 WeakPolarHBondContact CA-O 3.11Å; R846-F851 VanDerWaalsContact CB-O 3.25Å; R846-F851 WeakPolarHBondContact CB-O 3.45Å; R846-F851 WeakPolarHBondContact CG-O 3.2Å
847	D	79.3	Confident	76.3	Confident	49 Å²	49	72.1 Å²	72.1	26%	0.262	37%	0.371	S	S	.	.			trans	-81.4	-176.7	177.2	50.7	44.7	0	0	0	112.7	D849 G850 F851	D847-D849 PolarHBondContact O-N 2.81Å; D847-D849 PolarHBondContact OD1-N 2.8Å; D847-G850 PolarHBondContact O-N 2.83Å; D847-G850 PolarHBondContact OD1-N 3.4Å; D847-F851 PolarHBondContact N-O 3.18Å; D847-F851 PolarHBondContact OD1-N 3.12Å; D847-F851 WeakPolarHBondContact OD2-CB 3.17Å
848	G	63.5	Low	75.8	Confident	57 Å²	57	82.4 Å²	82.4	59%	0.588	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-28.4	-179.3	0	0	0	0	0	114.3
849	D	72.4	Confident	74.9	Confident	142 Å²	142	84.1 Å²	84.1	76%	0.759	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.2	176.1	-68.3	-48.9	0	0	0	112.9	D847 F851	D847-D849 PolarHBondContact O-N 2.81Å; D847-D849 PolarHBondContact OD1-N 2.8Å; D849-F851 HydrophobicContact CB-CD2 3.82Å; D849-F851 HydrophobicContact CB-CE2 4.08Å
850	G	63.8	Low	74.2	Confident	31 Å²	31	88.8 Å²	88.8	32%	0.32	45%	0.448	S	S	.	.	S	Bend	trans	87.1	10.2	175.1	0	0	0	0	0	115.4	R846 D847	R846-G850 WeakPolarHBondContact CD-O 3.32Å; R846-G850 PolarHBondContact NH1-O 3.17Å; D847-G850 PolarHBondContact O-N 2.83Å; D847-G850 PolarHBondContact OD1-N 3.4Å
851	F	75.1	Confident	73.4	Confident	144 Å²	144	84.7 Å²	84.7	63%	0.632	43%	0.434	S	S	*	.	S	Bend	trans	-76.9	166.3	172.4	-68.5	-85	0	0	0	111.3	R846 D847 D849 S853	R846-F851 WeakPolarHBondContact CA-O 3.11Å; R846-F851 VanDerWaalsContact CB-O 3.25Å; R846-F851 WeakPolarHBondContact CB-O 3.45Å; R846-F851 WeakPolarHBondContact CG-O 3.2Å; D847-F851 PolarHBondContact N-O 3.18Å; D847-F851 PolarHBondContact OD1-N 3.12Å; D847-F851 WeakPolarHBondContact OD2-CB 3.17Å; D849-F851 HydrophobicContact CB-CD2 3.82Å; D849-F851 HydrophobicContact CB-CE2 4.08Å; F851-S853 PolarHBondContact O-N 2.96Å
852	F	75.3	Confident	73	Confident	148 Å²	148	84.3 Å²	84.3	65%	0.649	44%	0.438	S	S	*	.	B	Isolated β-bridge	trans	-72	113.9	178.7	-79.5	-78.4	0	0	0	111	E844	E844-F852 HydrophobicContact CB-CE1 4Å; E844-F852 HydrophobicContact CG-CE1 3.87Å; E844-F852 WeakPolarHBondContact OE2-CE1 3.42Å; E844-F852 WeakPolarHBondContact OE2-CZ 3.09Å
853	S	77.4	Confident	72.3	Confident	25 Å²	25	84.9 Å²	84.9	18%	0.175	44%	0.44	C	S	.	.			trans	-105.1	165.5	177.3	176.3	0	0	0	0	110.9	S820 C845 F851 Q855	S820-S853 WeakPolarHBondContact CB-OG 3.39Å; S820-S853 WeakPolarHBondContact OG-CB 3.04Å; S820-S853 PolarHBondContact OG-OG 2.81Å; C845-S853 VanDerWaalsContact CB-O 3.24Å; C845-S853 WeakPolarHBondContact CB-O 3.4Å; C845-S853 PolarHBondContact O-N 2.9Å; C845-S853 PolarHBondContact SG-O 2.81Å; F851-S853 PolarHBondContact O-N 2.96Å; S853-Q855 PolarHBondContact OG-N 2.88Å; S853-Q855 VanDerWaalsContact OG-N 3.11Å
854	S	76.3	Confident	72	Confident	106 Å²	106	87.2 Å²	87.2	74%	0.741	45%	0.451	S	S	*	.	S	Bend	trans	-119.5	2	169.8	60.9	0	0	0	0	113.1
855	Q	74.7	Confident	71.2	Confident	158 Å²	158	87.4 Å²	87.4	74%	0.738	45%	0.454	S	S	*	.			trans	-88.3	-3.1	-170.8	-54.8	-167.7	39.1	0	0	114.4	S853	S853-Q855 PolarHBondContact OG-N 2.88Å; S853-Q855 VanDerWaalsContact OG-N 3.11Å
856	C	76.3	Confident	70.8	Confident	6 Å²	6	92.5 Å²	92.5	4%	0.041	47%	0.471	C	S	.	.	S	Bend	trans	-67.5	135.5	176.4	-49.4	0	0	0	0	111.2	S820 D821 W822 C845 R858	S820-C856 WeakPolarHBondContact CB-SG 3.02Å; S820-C856 PolarHBondContact O-SG 2.84Å; D821-C856 VanDerWaalsContact C-SG 3.53Å; D821-C856 PolarHBondContact N-SG 2.82Å; D821-C856 VanDerWaalsContact N-SG 3.44Å; D821-C856 PolarHBondContact O-SG 2.69Å; D821-C856 VanDerWaalsContact O-SG 3.37Å; W822-C856 HydrophobicContact CD2-CB 3.91Å; W822-C856 VanDerWaalsContact CE2-CB 3.41Å; W822-C856 HydrophobicContact CG-CB 4.25Å; W822-C856 HydrophobicContact CH2-CB 4.38Å; W822-C856 HydrophobicContact CZ2-CB 3.68Å; C845-C856 WeakPolarHBondContact CA-SG 3.44Å; C845-C856 HydrophobicContact CB-CB 3.71Å; C845-C856 WeakPolarHBondContact CB-SG 3.05Å; C845-C856 WeakPolarHBondContact SG-CB 3.37Å; C845-C856 PolarHBondContact SG-N 2.91Å; C845-C856 CovalentContact SG-SG 2.02Å; C845-C856 PolarHBondContact SG-SG 2.63Å; C856-R858 PolarHBondContact O-N 2.97Å; C856-R858 VanDerWaalsContact O-N 3.14Å
857	D	72.4	Confident	70	Confident	84 Å²	84	91.8 Å²	91.8	45%	0.449	48%	0.476	S	S	.	.			trans	-56.7	117.1	178.5	178.6	-1.8	0	0	0	111.5	W822 E859 L860 K861	W822-D857 PolarHBondContact NE1-O 3.05Å; D857-E859 VanDerWaalsContact C-N 3.28Å; D857-E859 PolarHBondContact O-N 3.49Å; D857-E859 WeakPolarHBondContact OD1-CB 3.3Å; D857-E859 PolarHBondContact OD1-N 3.02Å; D857-L860 HydrophobicContact CB-CB 4.17Å; D857-L860 HydrophobicContact CB-CD1 4.07Å; D857-L860 HydrophobicContact CB-CG 4.15Å; D857-L860 PolarHBondContact O-N 3.08Å; D857-L860 VanDerWaalsContact O-N 3.07Å; D857-L860 WeakPolarHBondContact OD2-CG 3.34Å; D857-K861 PolarHBondContact O-N 2.88Å
858	R	65.4	Low	69.5	Low	216 Å²	216	90 Å²	90	82%	0.815	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-24.4	-179.3	-69.8	-175.5	173.5	-163.9	-2.2	113.3	C856 L860 K861	C856-R858 PolarHBondContact O-N 2.97Å; C856-R858 VanDerWaalsContact O-N 3.14Å; R858-L860 VanDerWaalsContact C-N 3.27Å; R858-K861 PolarHBondContact O-N 2.87Å
859	E	55.2	Low	69.3	Low	169 Å²	169	88.1 Å²	88.1	79%	0.79	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-22.2	172.7	-62.2	-164	-173.7	0	0	112.5	D857	D857-E859 VanDerWaalsContact C-N 3.28Å; D857-E859 PolarHBondContact O-N 3.49Å; D857-E859 WeakPolarHBondContact OD1-CB 3.3Å; D857-E859 PolarHBondContact OD1-N 3.02Å
860	L	56.3	Low	68.5	Low	105 Å²	105	87.8 Å²	87.8	55%	0.55	45%	0.445	S	S	.	.	S	Bend	trans	-91.1	-6.8	174.9	-66.7	179.7	0	0	0	113.7	D857 R858 P862	D857-L860 HydrophobicContact CB-CB 4.17Å; D857-L860 HydrophobicContact CB-CD1 4.07Å; D857-L860 HydrophobicContact CB-CG 4.15Å; D857-L860 PolarHBondContact O-N 3.08Å; D857-L860 VanDerWaalsContact O-N 3.07Å; D857-L860 WeakPolarHBondContact OD2-CG 3.34Å; R858-L860 VanDerWaalsContact C-N 3.27Å; L860-P862 WeakPolarHBondContact O-CD 3.28Å
861	K	66.1	Low	68.4	Low	86 Å²	86	88.9 Å²	88.9	37%	0.374	45%	0.446	S	S	.	.			trans	-51.9	113.3	-179.8	-169.2	-166.7	-179.9	-161.6	0	109.9	W822 V843 D857 R858 D864	W822-K861 HydrophobicContact CD2-CB 4.23Å; W822-K861 HydrophobicContact CD2-CG 3.99Å; W822-K861 HydrophobicContact CE3-CG 3.96Å; W822-K861 HydrophobicContact CH2-CB 4.25Å; W822-K861 HydrophobicContact CH2-CD 4.18Å; W822-K861 HydrophobicContact CH2-CG 3.89Å; W822-K861 HydrophobicContact CZ2-CB 3.77Å; W822-K861 HydrophobicContact CZ2-CG 3.91Å; W822-K861 HydrophobicContact CZ3-CD 4.26Å; W822-K861 HydrophobicContact CZ3-CG 3.91Å; V843-K861 HydrophobicContact CG1-CD 4.34Å; V843-K861 HydrophobicContact CG1-CG 3.72Å; D857-K861 PolarHBondContact O-N 2.88Å; R858-K861 PolarHBondContact O-N 2.87Å; K861-D864 IonicContact NZ-OD2 3.74Å; K861-D864 PolarHBondContact NZ-OD2 3.44Å
862	P	70.3	Confident	68.2	Low	39 Å²	39	85.8 Å²	85.8	25%	0.253	44%	0.44	S	S	.	.			trans	-64	153.4	177.7	-24.9	38.3	0	0	0	110.7	W822 L824 L860 D864	W822-P862 VanDerWaalsContact CB-CD 3.46Å; W822-P862 HydrophobicContact CB-CG 4.06Å; L824-P862 HydrophobicContact CD1-CB 4.34Å; L824-P862 HydrophobicContact CD1-CG 4.35Å; L824-P862 HydrophobicContact CD2-CB 3.79Å; L824-P862 HydrophobicContact CD2-CG 3.88Å; L860-P862 WeakPolarHBondContact O-CD 3.28Å; P862-D864 PolarHBondContact O-N 2.92Å
863	T	65.7	Low	68.3	Low	65 Å²	65	81.9 Å²	81.9	40%	0.399	43%	0.43	S	S	.	.			trans	-63.9	131.9	179.2	61.2	0	0	0	0	110.6	R841 I865	R841-T863 PolarHBondContact NE-O 2.86Å; R841-T863 PolarHBondContact NH2-O 3.38Å; T863-I865 VanDerWaalsContact CB-O 3.29Å; T863-I865 WeakPolarHBondContact CB-O 3.48Å; T863-I865 PolarHBondContact OG1-O 3.46Å
864	D	78	Confident	68.5	Low	66 Å²	66	81.3 Å²	81.3	35%	0.353	43%	0.426	S	S	.	.	S	Bend	trans	-82.6	-2.2	170.3	39.2	25.6	0	0	0	111.8	R840 R841 V843 K861 P862	R840-D864 CarbonylContact C-O 3.57Å; R840-D864 WeakPolarHBondContact CA-O 3.18Å; R841-D864 PolarHBondContact N-O 3.1Å; V843-D864 HydrophobicContact CB-CB 4.36Å; V843-D864 HydrophobicContact CG2-CB 3.71Å; K861-D864 IonicContact NZ-OD2 3.74Å; K861-D864 PolarHBondContact NZ-OD2 3.44Å; P862-D864 PolarHBondContact O-N 2.92Å
865	I	69	Low	68.8	Low	57 Å²	57	81.4 Å²	81.4	29%	0.292	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.1	176.3	-158.1	168.5	0	0	0	111.5	W838 S839 R840 T863	W838-I865 HydrophobicContact CB-CD1 3.92Å; W838-I865 HydrophobicContact CB-CG1 3.94Å; W838-I865 HydrophobicContact CD2-CD1 4.32Å; W838-I865 HydrophobicContact CD2-CG1 4.43Å; W838-I865 HydrophobicContact CE3-CD1 4.23Å; W838-I865 HydrophobicContact CE3-CG1 3.96Å; W838-I865 HydrophobicContact CG-CD1 4.21Å; W838-I865 HydrophobicContact CG-CG1 4.46Å; S839-I865 CarbonylContact O-C 3.6Å; S839-I865 WeakPolarHBondContact O-CA 3.39Å; S839-I865 WeakPolarHBondContact O-CG1 2.66Å; R840-I865 HydrophobicContact CG-CB 4.43Å; R840-I865 HydrophobicContact CG-CD1 4.23Å; R840-I865 HydrophobicContact CG-CG1 3.97Å; T863-I865 VanDerWaalsContact CB-O 3.29Å; T863-I865 WeakPolarHBondContact CB-O 3.48Å; T863-I865 PolarHBondContact OG1-O 3.46Å
866	R	73.8	Confident	69.4	Low	118 Å²	118	76.1 Å²	76.1	45%	0.445	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	145.4	176.4	-165.9	-167.2	91.4	160.4	6	110.1	W827 W838 S839	W827-R866 HydrophobicContact CE3-CB 4.34Å; W827-R866 HydrophobicContact CH2-CB 3.54Å; W827-R866 HydrophobicContact CZ2-CB 3.85Å; W827-R866 HydrophobicContact CZ3-CB 3.8Å; W838-R866 CarbonylContact C-O 3.22Å; W838-R866 WeakPolarHBondContact CA-O 2.83Å; S839-R866 PolarHBondContact N-O 3.11Å; S839-R866 PolarHBondContact O-N 3.09Å
867	P	62.8	Low	69.8	Low	57 Å²	57	81 Å²	81	37%	0.37	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	155.3	166.8	27.2	-36	0	0	0	112.4	G837 W838	G837-P867 WeakPolarHBondContact O-CA 3.43Å; W838-P867 HydrophobicContact CE3-CB 4.4Å; W838-P867 HydrophobicContact CZ3-CB 4.35Å
868	C	69.8	Low	70.2	Confident	12 Å²	12	81.2 Å²	81.2	8%	0.081	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	172	174.6	52.1	0	0	0	0	109.5	C830 G837 S839	C830-C868 WeakPolarHBondContact CA-SG 3.44Å; C830-C868 HydrophobicContact CB-CB 3.87Å; C830-C868 WeakPolarHBondContact CB-SG 3.26Å; C830-C868 WeakPolarHBondContact SG-CB 3.19Å; C830-C868 CovalentContact SG-SG 2.03Å; C830-C868 PolarHBondContact SG-SG 2.83Å; G837-C868 CarbonylContact C-O 3.6Å; G837-C868 PolarHBondContact N-O 3.23Å; G837-C868 PolarHBondContact O-N 2.79Å; S839-C868 PolarHBondContact N-SG 3.23Å
869	G	58.7	Low	70.9	Confident	16 Å²	16	71.6 Å²	71.6	17%	0.165	38%	0.38	C	S	.	.			trans	85.9	33.1	179.8	0	0	0	0	0	114.1	G835 V871	G835-G869 CarbonylContact C-O 3.48Å; G835-G869 VanDerWaalsContact CA-O 3.3Å; G835-G869 WeakPolarHBondContact CA-O 3.45Å; G835-G869 PolarHBondContact N-O 2.85Å; G835-G869 CarbonylContact O-C 3.49Å; G835-G869 WeakPolarHBondContact O-CA 3.41Å; G869-V871 PolarHBondContact O-N 3.32Å
870	D	55.1	Low	72.2	Confident	135 Å²	135	68.9 Å²	68.9	72%	0.722	38%	0.377	S	S	*	.			trans	-70.3	28.6	178.3	-56.3	-70.2	0	0	0	114.4
871	V	62.3	Low	73.4	Confident	55 Å²	55	68 Å²	68	33%	0.333	37%	0.367	S	S	.	.	S	Bend	trans	-92.7	126.4	166.1	178.2	0	0	0	0	107.4	G835 G869 C873 Y902	G835-V871 PolarHBondContact N-O 3.42Å; G869-V871 PolarHBondContact O-N 3.32Å; V871-C873 PolarHBondContact O-N 3.05Å; V871-Y902 HydrophobicContact CG1-CD1 3.38Å; V871-Y902 HydrophobicContact CG1-CE1 3.25Å; V871-Y902 HydrophobicContact CG1-CG 4.21Å
872	P	70.5	Confident	74.2	Confident	79 Å²	79	66.6 Å²	66.6	51%	0.513	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-58.2	133.9	176.4	-20.4	31.2	0	0	0	110.6	Y902	P872-Y902 HydrophobicContact CG-CG 4.44Å
873	C	77.3	Confident	74.8	Confident	65 Å²	65	69 Å²	69	44%	0.439	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-58.8	140.4	172.4	-57.9	0	0	0	0	109.6	V871	V871-C873 PolarHBondContact O-N 3.05Å
874	P	83.2	Confident	75.7	Confident	14 Å²	14	67.5 Å²	67.5	9%	0.091	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-49.8	146.2	168.6	-31.2	39	0	0	0	113	C899 I900 D901 V907 M911 C912	P874-C899 WeakPolarHBondContact CB-SG 3.39Å; P874-I900 CarbonylContact C-O 3.59Å; P874-I900 WeakPolarHBondContact CA-O 2.98Å; P874-I900 WeakPolarHBondContact CB-O 3.5Å; P874-D901 HydrophobicContact CG-CB 4.16Å; P874-V907 HydrophobicContact CB-CG2 3.81Å; P874-V907 HydrophobicContact CG-CG2 3.86Å; P874-M911 HydrophobicContact CB-CB 4.46Å; P874-M911 WeakPolarHBondContact CD-O 3.02Å; P874-M911 HydrophobicContact CG-CB 4.08Å; P874-C912 VanDerWaalsContact CB-SG 3.55Å; P874-C912 PolarHBondContact O-SG 2.77Å
875	I	82.6	Confident	76.2	Confident	107 Å²	107	68.3 Å²	68.3	55%	0.549	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.3	-176.4	64.1	175.7	0	0	0	110.9	I900 C912	I875-I900 HydrophobicContact CD1-CD1 4.36Å; I875-I900 HydrophobicContact CG1-CD1 4.06Å; I875-I900 HydrophobicContact CG1-CG1 3.82Å; I875-I900 PolarHBondContact N-O 2.88Å; I875-I900 VanDerWaalsContact O-CG1 3.27Å; I875-I900 WeakPolarHBondContact O-CG1 3.36Å; I875-I900 PolarHBondContact O-N 2.82Å; I875-C912 PolarHBondContact N-SG 3.31Å; I875-C912 VanDerWaalsContact N-SG 3.43Å
876	W	86.1	Confident	76.7	Confident	47 Å²	47	72.9 Å²	72.9	18%	0.178	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.3	173	-68.9	107.7	0	0	0	111.6	V897 F898 C899 P909 C912 D913 K916 V917 P918	W876-V897 HydrophobicContact CE3-CB 4.27Å; W876-V897 HydrophobicContact CE3-CG2 4.34Å; W876-V897 HydrophobicContact CZ3-CG2 4.43Å; W876-F898 WeakPolarHBondContact CA-O 3.33Å; W876-C899 HydrophobicContact CE3-CB 4.13Å; W876-C899 HydrophobicContact CH2-CB 4.01Å; W876-C899 HydrophobicContact CZ2-CB 4.4Å; W876-C899 HydrophobicContact CZ3-CB 3.87Å; W876-P909 HydrophobicContact CH2-CB 3.86Å; W876-P909 HydrophobicContact CZ2-CB 4.48Å; W876-P909 WeakPolarHBondContact CZ2-O 3.44Å; W876-C912 HydrophobicContact CD2-CB 4.01Å; W876-C912 HydrophobicContact CG-CB 4.25Å; W876-C912 HydrophobicContact CZ2-CB 3.72Å; W876-C912 VanDerWaalsContact NE1-CB 3.33Å; W876-D913 PolarHBondContact NE1-O 3.27Å; W876-K916 VanDerWaalsContact CD1-C 3.42Å; W876-K916 VanDerWaalsContact CD1-O 3.25Å; W876-V917 HydrophobicContact CD2-CG2 4.22Å; W876-V917 HydrophobicContact CH2-CG2 4.26Å; W876-V917 HydrophobicContact CZ2-CG2 3.57Å; W876-P918 VanDerWaalsContact CB-CD 3.43Å; W876-P918 HydrophobicContact CB-CG 3.96Å
877	Q	84.3	Confident	77.1	Confident	109 Å²	109	73.2 Å²	73.2	51%	0.509	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.3	173.8	-169.9	178.7	40.4	0	0	110.2	V897 F898 I900	Q877-V897 WeakPolarHBondContact O-CA 3.29Å; Q877-F898 PolarHBondContact N-O 3.23Å; Q877-F898 PolarHBondContact O-N 3.23Å; Q877-I900 HydrophobicContact CB-CD1 4.05Å; Q877-I900 HydrophobicContact CB-CG1 3.93Å
878	M	81.9	Confident	77.9	Confident	89 Å²	89	72 Å²	72	44%	0.438	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	129	169.3	-74.7	178.3	-75.3	0	0	110.1	R895 V897 P918	M878-R895 PolarHBondContact SD-NH2 2.03Å; M878-V897 HydrophobicContact CG-CG1 3.75Å; M878-P918 HydrophobicContact CG-CB 4.44Å
879	G	80.8	Confident	78.4	Confident	14 Å²	14	72.2 Å²	72.2	14%	0.144	42%	0.419	C	S	.	.			trans	-74.1	-179.8	176.1	0	0	0	0	0	114.3	S896	G879-S896 PolarHBondContact N-O 3.26Å
880	P	81.4	Confident	79.7	Confident	111 Å²	111	77.3 Å²	77.3	72%	0.721	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-62.8	159.1	170.3	29.5	-35.4	0	0	0	111.4	R895	P880-R895 WeakPolarHBondContact O-CB 3.49Å
881	W	81.4	Confident	81	Confident	87 Å²	87	71.3 Å²	71.3	33%	0.33	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-70.9	143	170.1	-70.2	101.1	0	0	0	111.1	R893 R895 A921	W881-R893 HydrophobicContact CD2-CG 4.3Å; W881-R893 HydrophobicContact CE3-CB 4.17Å; W881-R893 HydrophobicContact CE3-CG 3.74Å; W881-R893 HydrophobicContact CZ3-CG 4.22Å; W881-R893 WeakPolarHBondContact CZ3-O 3.49Å; W881-R895 HydrophobicContact CD2-CB 4.18Å; W881-R895 HydrophobicContact CD2-CG 4.18Å; W881-R895 HydrophobicContact CE3-CB 4.03Å; W881-R895 HydrophobicContact CE3-CG 4.04Å; W881-R895 HydrophobicContact CH2-CG 4.17Å; W881-R895 HydrophobicContact CZ2-CG 4.3Å; W881-R895 HydrophobicContact CZ3-CB 4.47Å; W881-R895 HydrophobicContact CZ3-CG 4.03Å; W881-A921 HydrophobicContact CH2-CB 3.9Å; W881-A921 VanDerWaalsContact CZ3-O 3.28Å; W881-A921 WeakPolarHBondContact CZ3-O 3.03Å
882	S	82.8	Confident	82.2	Confident	57 Å²	57	71.9 Å²	71.9	40%	0.399	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-58.6	164	167.7	71.8	0	0	0	0	111.7	R893 R894	S882-R893 WeakPolarHBondContact OG-CA 3.36Å; S882-R894 WeakPolarHBondContact CB-O 3.24Å; S882-R894 PolarHBondContact N-O 3.06Å; S882-R894 PolarHBondContact OG-N 3.15Å; S882-R894 PolarHBondContact OG-O 2.94Å
883	A	82.1	Confident	82.9	Confident	88 Å²	88	72.7 Å²	72.7	73%	0.727	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-52.2	153.1	156.4	0	0	0	0	0	110.4
884	C	86.4	Confident	83.2	Confident	35 Å²	35	77.3 Å²	77.3	24%	0.236	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-71.1	139.1	175.6	-164	0	0	0	0	110.1	R886 C925	C884-R886 PolarHBondContact O-N 2.71Å; C884-C925 WeakPolarHBondContact CA-SG 3.29Å; C884-C925 HydrophobicContact CB-CB 3.84Å; C884-C925 WeakPolarHBondContact CB-SG 3.37Å; C884-C925 WeakPolarHBondContact SG-CB 3.3Å; C884-C925 PolarHBondContact SG-O 2.92Å; C884-C925 CovalentContact SG-SG 2.03Å; C884-C925 PolarHBondContact SG-SG 3.3Å
885	S	87.3	Confident	83.1	Confident	83 Å²	83	80 Å²	80	58%	0.58	42%	0.417	S	S	*	.	S	Bend	trans	-64.2	-9.4	-179.2	66.8	0	0	0	0	114.7	E892	S885-E892 VanDerWaalsContact CB-O 3.31Å; S885-E892 WeakPolarHBondContact CB-O 3.44Å; S885-E892 PolarHBondContact N-O 3.3Å; S885-E892 PolarHBondContact OG-N 2.76Å; S885-E892 PolarHBondContact OG-O 3.12Å
886	R	80.6	Confident	83.1	Confident	153 Å²	153	78.3 Å²	78.3	58%	0.577	42%	0.415	S	S	*	.			trans	-139.2	145.3	170.4	-60.7	-174.8	173.5	140.1	-8.1	110.8	C884 C888 Q890 N926	C884-R886 PolarHBondContact O-N 2.71Å; R886-C888 VanDerWaalsContact CB-O 3.23Å; R886-C888 WeakPolarHBondContact CB-O 3.23Å; R886-Q890 WeakPolarHBondContact CD-O 3.34Å; R886-Q890 PolarHBondContact NH1-O 3.37Å; R886-N926 PolarHBondContact O-ND2 3.03Å
887	T	81.2	Confident	83.1	Confident	124 Å²	124	77.3 Å²	77.3	76%	0.761	41%	0.413	S	S	*	.	S	Bend	trans	-73.3	-33.2	173.1	43.4	0	0	0	0	112.5	N926 H928	T887-N926 PolarHBondContact O-ND2 3.11Å; T887-H928 PolarHBondContact O-CE1 2.99Å; T887-H928 PolarHBondContact O-NE2 2.72Å
888	C	80.9	Confident	83.2	Confident	31 Å²	31	76.2 Å²	76.2	21%	0.209	41%	0.407	C	S	.	.	S	Bend	trans	-135.8	164.3	175.7	60.7	0	0	0	0	111.3	R886 H928 C930	R886-C888 VanDerWaalsContact CB-O 3.23Å; R886-C888 WeakPolarHBondContact CB-O 3.23Å; C888-H928 WeakPolarHBondContact CA-NE2 3.44Å; C888-H928 WeakPolarHBondContact CB-NE2 3.2Å; C888-C930 HydrophobicContact CB-CB 4Å; C888-C930 WeakPolarHBondContact CB-SG 3.43Å; C888-C930 PolarHBondContact O-SG 3.33Å; C888-C930 VanDerWaalsContact SG-CA 3.53Å; C888-C930 WeakPolarHBondContact SG-CB 3.45Å; C888-C930 CovalentContact SG-SG 2.04Å; C888-C930 PolarHBondContact SG-SG 2.73Å
889	G	78.5	Confident	83.4	Confident	17 Å²	17	72.1 Å²	72.1	18%	0.175	39%	0.387	C	S	.	.	S	Bend	trans	66.2	179.3	-171.6	0	0	0	0	0	113.1	G891 N926 H928	G889-G891 PolarHBondContact O-N 2.72Å; G889-N926 CarbonylContact C-O 3.5Å; G889-N926 CarbonylContact O-C 3.53Å; G889-N926 WeakPolarHBondContact O-CB 3.31Å; G889-H928 WeakPolarHBondContact CA-O 3.44Å; G889-H928 PolarHBondContact N-O 3.1Å
890	Q	86.2	Confident	83.5	Confident	124 Å²	124	72.3 Å²	72.3	58%	0.579	39%	0.385	S	S	*	.	S	Bend	trans	-63.3	117.7	177.5	-74	-173.5	-3.8	0	0	111.3	R886 N926	R886-Q890 WeakPolarHBondContact CD-O 3.34Å; R886-Q890 PolarHBondContact NH1-O 3.37Å; Q890-N926 WeakPolarHBondContact CA-O 3.28Å
891	G	83.7	Confident	83.5	Confident	9 Å²	9	68.3 Å²	68.3	9%	0.093	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	174.1	171.7	0	0	0	0	0	112.8	G889 Q924 C925	G889-G891 PolarHBondContact O-N 2.72Å; G891-Q924 WeakPolarHBondContact O-CA 3.49Å; G891-C925 CarbonylContact C-O 3.55Å; G891-C925 WeakPolarHBondContact CA-O 3.33Å; G891-C925 PolarHBondContact N-O 3.28Å; G891-C925 PolarHBondContact O-N 3.29Å; G891-C925 VanDerWaalsContact O-O 3.14Å
892	E	87.3	Confident	82.9	Confident	67 Å²	67	71.1 Å²	71.1	31%	0.313	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.6	174.7	-170.4	-173.3	-134	0	0	109.6	S885 R894 S922	S885-E892 VanDerWaalsContact CB-O 3.31Å; S885-E892 WeakPolarHBondContact CB-O 3.44Å; S885-E892 PolarHBondContact N-O 3.3Å; S885-E892 PolarHBondContact OG-N 2.76Å; S885-E892 PolarHBondContact OG-O 3.12Å; E892-R894 IonicContact OE2-CZ 3.19Å; E892-R894 IonicContact OE2-NE 2.72Å; E892-R894 PolarHBondContact OE2-NE 3.27Å; E892-R894 IonicContact OE2-NH2 2.86Å; E892-R894 PolarHBondContact OE2-NH2 3.25Å; E892-S922 WeakPolarHBondContact OE1-CB 3.26Å; E892-S922 PolarHBondContact OE1-OG 3.37Å
893	R	83.9	Confident	82.3	Confident	95 Å²	95	72.7 Å²	72.7	36%	0.358	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	153.2	167.2	52.2	176.8	170.6	170.7	-0.4	109.3	W881 S882 S922 G923 Q924 C925	W881-R893 HydrophobicContact CD2-CG 4.3Å; W881-R893 HydrophobicContact CE3-CB 4.17Å; W881-R893 HydrophobicContact CE3-CG 3.74Å; W881-R893 HydrophobicContact CZ3-CG 4.22Å; W881-R893 WeakPolarHBondContact CZ3-O 3.49Å; S882-R893 WeakPolarHBondContact OG-CA 3.36Å; R893-S922 CarbonylContact O-C 3.59Å; R893-S922 WeakPolarHBondContact O-CA 3.33Å; R893-G923 VanDerWaalsContact CG-O 3.25Å; R893-G923 WeakPolarHBondContact CG-O 3.16Å; R893-G923 PolarHBondContact N-O 3.47Å; R893-G923 PolarHBondContact O-N 2.65Å; R893-Q924 PolarHBondContact NE-O 3.25Å; R893-C925 HydrophobicContact CG-CB 3.93Å; R893-C925 PolarHBondContact N-SG 3.04Å
894	R	85.3	Confident	81.6	Confident	163 Å²	163	71.1 Å²	71.1	62%	0.615	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.9	-178.9	-58.3	-177.9	-174.4	166.4	1.9	109.8	S882 E892 A921	S882-R894 WeakPolarHBondContact CB-O 3.24Å; S882-R894 PolarHBondContact N-O 3.06Å; S882-R894 PolarHBondContact OG-N 3.15Å; S882-R894 PolarHBondContact OG-O 2.94Å; E892-R894 IonicContact OE2-CZ 3.19Å; E892-R894 IonicContact OE2-NE 2.72Å; E892-R894 PolarHBondContact OE2-NE 3.27Å; E892-R894 IonicContact OE2-NH2 2.86Å; E892-R894 PolarHBondContact OE2-NH2 3.25Å; R894-A921 CarbonylContact C-O 3.44Å; R894-A921 WeakPolarHBondContact CA-O 3.32Å
895	R	81.2	Confident	81.1	Confident	71 Å²	71	76.1 Å²	76.1	27%	0.268	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	128.6	169.1	60.6	178.6	-178.6	-171.3	-4	110.7	M878 P880 W881 A921	M878-R895 PolarHBondContact SD-NH2 2.03Å; P880-R895 WeakPolarHBondContact O-CB 3.49Å; W881-R895 HydrophobicContact CD2-CB 4.18Å; W881-R895 HydrophobicContact CD2-CG 4.18Å; W881-R895 HydrophobicContact CE3-CB 4.03Å; W881-R895 HydrophobicContact CE3-CG 4.04Å; W881-R895 HydrophobicContact CH2-CG 4.17Å; W881-R895 HydrophobicContact CZ2-CG 4.3Å; W881-R895 HydrophobicContact CZ3-CB 4.47Å; W881-R895 HydrophobicContact CZ3-CG 4.03Å; R895-A921 HydrophobicContact CG-CB 4.07Å; R895-A921 PolarHBondContact N-O 3.19Å
896	S	81.4	Confident	80.8	Confident	71 Å²	71	76 Å²	76	50%	0.497	38%	0.382	S	S	.	.			trans	-77.3	160.4	175.2	-54	0	0	0	0	111	G879	G879-S896 PolarHBondContact N-O 3.26Å
897	V	87.3	Confident	80.9	Confident	25 Å²	25	70.5 Å²	70.5	15%	0.152	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	143.3	166.3	-72.9	0	0	0	0	109.9	W876 Q877 M878 V917 P918	W876-V897 HydrophobicContact CE3-CB 4.27Å; W876-V897 HydrophobicContact CE3-CG2 4.34Å; W876-V897 HydrophobicContact CZ3-CG2 4.43Å; Q877-V897 WeakPolarHBondContact O-CA 3.29Å; M878-V897 HydrophobicContact CG-CG1 3.75Å; V897-V917 HydrophobicContact CG2-CG1 4.08Å; V897-P918 HydrophobicContact CG1-CB 3.91Å; V897-P918 HydrophobicContact CG1-CG 3.92Å; V897-P918 WeakPolarHBondContact CG1-O 3.03Å
898	F	86.1	Confident	80.9	Confident	87 Å²	87	69.2 Å²	69.2	38%	0.382	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138	-177.6	-63.4	-67.3	0	0	0	109.3	W876 Q877 I900 T906	W876-F898 WeakPolarHBondContact CA-O 3.33Å; Q877-F898 PolarHBondContact N-O 3.23Å; Q877-F898 PolarHBondContact O-N 3.23Å; F898-I900 HydrophobicContact CB-CG2 4.43Å; F898-T906 HydrophobicContact CB-CG2 4.12Å; F898-T906 HydrophobicContact CD1-CG2 4.09Å; F898-T906 HydrophobicContact CG-CG2 4.46Å
899	C	85.8	Confident	80.7	Confident	3 Å²	3	71 Å²	71	2%	0.02	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.4	166.5	179.8	0	0	0	0	107.9	P874 W876 T906 V907 C912	P874-C899 WeakPolarHBondContact CB-SG 3.39Å; W876-C899 HydrophobicContact CE3-CB 4.13Å; W876-C899 HydrophobicContact CH2-CB 4.01Å; W876-C899 HydrophobicContact CZ2-CB 4.4Å; W876-C899 HydrophobicContact CZ3-CB 3.87Å; C899-T906 CarbonylContact O-C 3.59Å; C899-T906 VanDerWaalsContact O-CA 3.31Å; C899-T906 WeakPolarHBondContact O-CA 3.44Å; C899-V907 HydrophobicContact CB-CG2 4.43Å; C899-V907 PolarHBondContact O-N 3.08Å; C899-C912 WeakPolarHBondContact CA-SG 3.25Å; C899-C912 HydrophobicContact CB-CB 3.84Å; C899-C912 WeakPolarHBondContact CB-SG 3.27Å; C899-C912 WeakPolarHBondContact SG-CB 3.36Å; C899-C912 PolarHBondContact SG-N 2.63Å; C899-C912 CovalentContact SG-SG 2.02Å; C899-C912 PolarHBondContact SG-SG 3.27Å
900	I	82.4	Confident	80.7	Confident	18 Å²	18	77.4 Å²	77.4	9%	0.092	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.6	179.1	57.3	149.1	0	0	0	111.4	P874 I875 Q877 F898 K905	P874-I900 CarbonylContact C-O 3.59Å; P874-I900 WeakPolarHBondContact CA-O 2.98Å; P874-I900 WeakPolarHBondContact CB-O 3.5Å; I875-I900 HydrophobicContact CD1-CD1 4.36Å; I875-I900 HydrophobicContact CG1-CD1 4.06Å; I875-I900 HydrophobicContact CG1-CG1 3.82Å; I875-I900 PolarHBondContact N-O 2.88Å; I875-I900 VanDerWaalsContact O-CG1 3.27Å; I875-I900 WeakPolarHBondContact O-CG1 3.36Å; I875-I900 PolarHBondContact O-N 2.82Å; Q877-I900 HydrophobicContact CB-CD1 4.05Å; Q877-I900 HydrophobicContact CB-CG1 3.93Å; F898-I900 HydrophobicContact CB-CG2 4.43Å; I900-K905 CarbonylContact C-O 3.56Å; I900-K905 WeakPolarHBondContact CA-O 3.4Å
901	D	80.7	Confident	80.1	Confident	27 Å²	27	75.9 Å²	75.9	14%	0.144	38%	0.381	C	S	.	.			trans	-78.3	175.1	172.7	73.6	20.7	0	0	0	112.7	P874 T903 G904 K905 V907	P874-D901 HydrophobicContact CG-CB 4.16Å; D901-T903 PolarHBondContact O-N 3.44Å; D901-T903 VanDerWaalsContact O-N 3.12Å; D901-T903 VanDerWaalsContact OD1-CA 3.28Å; D901-T903 WeakPolarHBondContact OD1-CA 3.44Å; D901-T903 VanDerWaalsContact OD1-CB 3.31Å; D901-T903 WeakPolarHBondContact OD1-CB 3.24Å; D901-T903 PolarHBondContact OD1-N 2.97Å; D901-T903 PolarHBondContact OD1-OG1 2.92Å; D901-T903 PolarHBondContact OD2-OG1 3.46Å; D901-G904 PolarHBondContact O-N 2.69Å; D901-G904 PolarHBondContact OD1-N 3.03Å; D901-K905 PolarHBondContact N-O 2.96Å; D901-K905 PolarHBondContact OD1-N 3.3Å; D901-K905 VanDerWaalsContact OD1-N 3.07Å; D901-V907 HydrophobicContact CB-CG1 3.91Å; D901-V907 HydrophobicContact CB-CG2 4.32Å
902	Y	68.9	Low	79.8	Confident	146 Å²	146	75.7 Å²	75.7	57%	0.573	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-8	178.4	72.5	-79.9	0	0	0	114.7	V871 P872	V871-Y902 HydrophobicContact CG1-CD1 3.38Å; V871-Y902 HydrophobicContact CG1-CE1 3.25Å; V871-Y902 HydrophobicContact CG1-CG 4.21Å; P872-Y902 HydrophobicContact CG-CG 4.44Å
903	T	71.9	Confident	79.4	Confident	90 Å²	90	75.2 Å²	75.2	55%	0.552	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-6.5	172.4	78	0	0	0	0	112.4	D901	D901-T903 PolarHBondContact O-N 3.44Å; D901-T903 VanDerWaalsContact O-N 3.12Å; D901-T903 VanDerWaalsContact OD1-CA 3.28Å; D901-T903 WeakPolarHBondContact OD1-CA 3.44Å; D901-T903 VanDerWaalsContact OD1-CB 3.31Å; D901-T903 WeakPolarHBondContact OD1-CB 3.24Å; D901-T903 PolarHBondContact OD1-N 2.97Å; D901-T903 PolarHBondContact OD1-OG1 2.92Å; D901-T903 PolarHBondContact OD2-OG1 3.46Å
904	G	66.8	Low	79.1	Confident	54 Å²	54	75.2 Å²	75.2	56%	0.557	39%	0.39	S	S	*	.	S	Bend	trans	84.5	11.7	-175	0	0	0	0	0	113.7	D901	D901-G904 PolarHBondContact O-N 2.69Å; D901-G904 PolarHBondContact OD1-N 3.03Å
905	K	76.1	Confident	78.7	Confident	141 Å²	141	74.3 Å²	74.3	61%	0.613	40%	0.398	S	S	*	.			trans	-88.9	136.5	176.9	-172.7	-172.9	172.6	-175.6	0	109.9	I900 D901 V907	I900-K905 CarbonylContact C-O 3.56Å; I900-K905 WeakPolarHBondContact CA-O 3.4Å; D901-K905 PolarHBondContact N-O 2.96Å; D901-K905 PolarHBondContact OD1-N 3.3Å; D901-K905 VanDerWaalsContact OD1-N 3.07Å; K905-V907 PolarHBondContact O-N 2.92Å
906	T	80.2	Confident	78.5	Confident	81 Å²	81	77.7 Å²	77.7	50%	0.497	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	130.5	168.9	-50.6	0	0	0	0	110.4	F898 C899	F898-T906 HydrophobicContact CB-CG2 4.12Å; F898-T906 HydrophobicContact CD1-CG2 4.09Å; F898-T906 HydrophobicContact CG-CG2 4.46Å; C899-T906 CarbonylContact O-C 3.59Å; C899-T906 VanDerWaalsContact O-CA 3.31Å; C899-T906 WeakPolarHBondContact O-CA 3.44Å
907	V	83.9	Confident	78.5	Confident	36 Å²	36	77.6 Å²	77.6	22%	0.218	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	173.2	176.8	-63.6	0	0	0	0	110.1	P874 C899 D901 K905 M911	P874-V907 HydrophobicContact CB-CG2 3.81Å; P874-V907 HydrophobicContact CG-CG2 3.86Å; C899-V907 HydrophobicContact CB-CG2 4.43Å; C899-V907 PolarHBondContact O-N 3.08Å; D901-V907 HydrophobicContact CB-CG1 3.91Å; D901-V907 HydrophobicContact CB-CG2 4.32Å; K905-V907 PolarHBondContact O-N 2.92Å; V907-M911 HydrophobicContact CG2-CB 4.05Å
908	E	79.8	Confident	78.2	Confident	98 Å²	98	78.3 Å²	78.3	46%	0.458	42%	0.416	S	S	.	.			trans	-59.9	141.8	-174.7	-42	-61.4	179	0	0	111.7	K332 E910 M911	K332-E908 IonicContact NZ-OE1 3.81Å; K332-E908 PolarHBondContact NZ-OE1 3.2Å; E908-E910 PolarHBondContact O-N 2.04Å; E908-E910 VanDerWaalsContact O-N 3.08Å; E908-M911 HydrophobicContact CB-CG 4.3Å; E908-M911 WeakPolarHBondContact O-CB 3.49Å; E908-M911 PolarHBondContact O-N 3.36Å
909	P	78.3	Confident	77.7	Confident	67 Å²	67	82.6 Å²	82.6	44%	0.435	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-46	-39.2	-180	-33.4	38.7	0	0	0	115.4	W876 M911 C912	W876-P909 HydrophobicContact CH2-CB 3.86Å; W876-P909 HydrophobicContact CZ2-CB 4.48Å; W876-P909 WeakPolarHBondContact CZ2-O 3.44Å; P909-M911 PolarHBondContact O-N 2.98Å; P909-C912 PolarHBondContact O-N 2.89Å
910	E	77.3	Confident	77	Confident	152 Å²	152	87 Å²	87	71%	0.71	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-71.3	-14.4	-174.7	-59.6	68.5	-148.6	0	0	112.9	E908 C912	E908-E910 PolarHBondContact O-N 2.04Å; E908-E910 VanDerWaalsContact O-N 3.08Å; E910-C912 VanDerWaalsContact C-N 3.31Å
911	M	73.1	Confident	76.7	Confident	93 Å²	93	87.4 Å²	87.4	46%	0.458	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-81.7	-13.8	176.2	-60.7	-73.9	-82.3	0	0	112.2	P874 V907 E908 P909	P874-M911 HydrophobicContact CB-CB 4.46Å; P874-M911 WeakPolarHBondContact CD-O 3.02Å; P874-M911 HydrophobicContact CG-CB 4.08Å; V907-M911 HydrophobicContact CG2-CB 4.05Å; E908-M911 HydrophobicContact CB-CG 4.3Å; E908-M911 WeakPolarHBondContact O-CB 3.49Å; E908-M911 PolarHBondContact O-N 3.36Å; P909-M911 PolarHBondContact O-N 2.98Å
912	C	79.4	Confident	76.6	Confident	5 Å²	5	89.3 Å²	89.3	3%	0.034	49%	0.487	C	S	.	.	S	Bend	trans	-97.5	160.3	169.7	-74.7	0	0	0	0	111.3	P874 I875 W876 C899 P909 E910 P914	P874-C912 VanDerWaalsContact CB-SG 3.55Å; P874-C912 PolarHBondContact O-SG 2.77Å; I875-C912 PolarHBondContact N-SG 3.31Å; I875-C912 VanDerWaalsContact N-SG 3.43Å; W876-C912 HydrophobicContact CD2-CB 4.01Å; W876-C912 HydrophobicContact CG-CB 4.25Å; W876-C912 HydrophobicContact CZ2-CB 3.72Å; W876-C912 VanDerWaalsContact NE1-CB 3.33Å; C899-C912 WeakPolarHBondContact CA-SG 3.25Å; C899-C912 HydrophobicContact CB-CB 3.84Å; C899-C912 WeakPolarHBondContact CB-SG 3.27Å; C899-C912 WeakPolarHBondContact SG-CB 3.36Å; C899-C912 PolarHBondContact SG-N 2.63Å; C899-C912 CovalentContact SG-SG 2.02Å; C899-C912 PolarHBondContact SG-SG 3.27Å; P909-C912 PolarHBondContact O-N 2.89Å; E910-C912 VanDerWaalsContact C-N 3.31Å; C912-P914 VanDerWaalsContact O-CD 3.23Å; C912-P914 WeakPolarHBondContact O-CD 3.47Å
913	D	77.3	Confident	77.1	Confident	56 Å²	56	83.4 Å²	83.4	30%	0.299	47%	0.471	S	S	.	.			trans	-66.5	112.2	173.8	-175	-11.1	0	0	0	110.4	W876 N915 K916	W876-D913 PolarHBondContact NE1-O 3.27Å; D913-N915 PolarHBondContact O-N 3.05Å; D913-N915 VanDerWaalsContact O-N 3.17Å; D913-N915 WeakPolarHBondContact OD1-CB 3.18Å; D913-N915 PolarHBondContact OD1-N 2.68Å; D913-N915 VanDerWaalsContact OD1-N 3.1Å; D913-N915 PolarHBondContact OD1-ND2 3.13Å; D913-K916 HydrophobicContact CB-CB 4.3Å; D913-K916 HydrophobicContact CB-CD 4.12Å; D913-K916 HydrophobicContact CB-CG 4.25Å; D913-K916 PolarHBondContact O-N 3.4Å; D913-K916 WeakPolarHBondContact OD2-CD 3.47Å; D913-K916 VanDerWaalsContact OD2-CE 3.24Å; D913-K916 WeakPolarHBondContact OD2-CE 3.34Å; D913-K916 IonicContact OD2-NZ 2.62Å; D913-K916 PolarHBondContact OD2-NZ 2.66Å
914	P	78.4	Confident	77.5	Confident	96 Å²	96	85.6 Å²	85.6	62%	0.623	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-67.3	-18.2	-175.7	28.1	-35.3	0	0	0	112.4	C912 K916 V917	C912-P914 VanDerWaalsContact O-CD 3.23Å; C912-P914 WeakPolarHBondContact O-CD 3.47Å; P914-K916 PolarHBondContact O-N 2.77Å; P914-V917 WeakPolarHBondContact O-CG2 3.48Å
915	N	75.7	Confident	78.3	Confident	144 Å²	144	83.8 Å²	83.8	77%	0.77	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-78.9	1	176.1	-47	-87	0	0	0	112.8	D913	D913-N915 PolarHBondContact O-N 3.05Å; D913-N915 VanDerWaalsContact O-N 3.17Å; D913-N915 WeakPolarHBondContact OD1-CB 3.18Å; D913-N915 PolarHBondContact OD1-N 2.68Å; D913-N915 VanDerWaalsContact OD1-N 3.1Å; D913-N915 PolarHBondContact OD1-ND2 3.13Å
916	K	77.4	Confident	78.1	Confident	141 Å²	141	79.9 Å²	79.9	61%	0.613	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-125.6	15.1	-177.2	-64.5	-177.4	-178.8	128	0	113.5	W876 D913 P914 P918	W876-K916 VanDerWaalsContact CD1-C 3.42Å; W876-K916 VanDerWaalsContact CD1-O 3.25Å; D913-K916 HydrophobicContact CB-CB 4.3Å; D913-K916 HydrophobicContact CB-CD 4.12Å; D913-K916 HydrophobicContact CB-CG 4.25Å; D913-K916 PolarHBondContact O-N 3.4Å; D913-K916 WeakPolarHBondContact OD2-CD 3.47Å; D913-K916 VanDerWaalsContact OD2-CE 3.24Å; D913-K916 WeakPolarHBondContact OD2-CE 3.34Å; D913-K916 IonicContact OD2-NZ 2.62Å; D913-K916 PolarHBondContact OD2-NZ 2.66Å; P914-K916 PolarHBondContact O-N 2.77Å; K916-P918 VanDerWaalsContact O-CD 3.26Å; K916-P918 WeakPolarHBondContact O-CD 3.37Å
917	V	82.9	Confident	77.4	Confident	69 Å²	69	82.1 Å²	82.1	42%	0.418	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-60	119.1	171.6	178.1	0	0	0	0	108.7	W876 V897 P914	W876-V917 HydrophobicContact CD2-CG2 4.22Å; W876-V917 HydrophobicContact CH2-CG2 4.26Å; W876-V917 HydrophobicContact CZ2-CG2 3.57Å; V897-V917 HydrophobicContact CG2-CG1 4.08Å; P914-V917 WeakPolarHBondContact O-CG2 3.48Å
918	P	80	Confident	76.9	Confident	41 Å²	41	85.2 Å²	85.2	27%	0.266	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-72.1	142.4	168.6	-7.2	22.8	0	0	0	109.1	W876 M878 V897 K916	W876-P918 VanDerWaalsContact CB-CD 3.43Å; W876-P918 HydrophobicContact CB-CG 3.96Å; M878-P918 HydrophobicContact CG-CB 4.44Å; V897-P918 HydrophobicContact CG1-CB 3.91Å; V897-P918 HydrophobicContact CG1-CG 3.92Å; V897-P918 WeakPolarHBondContact CG1-O 3.03Å; K916-P918 VanDerWaalsContact O-CD 3.26Å; K916-P918 WeakPolarHBondContact O-CD 3.37Å
919	E	75.6	Confident	76.5	Confident	176 Å²	176	87.6 Å²	87.6	82%	0.822	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-64.7	136	177.9	-65.7	-171.8	154.8	0	0	111.4	A921	E919-A921 PolarHBondContact O-N 3.11Å
920	P	71.3	Confident	76.4	Confident	95 Å²	95	88.1 Å²	88.1	62%	0.617	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-59.9	118.1	173.7	-23.3	33.7	0	0	0	111.1
921	A	75.1	Confident	76	Confident	28 Å²	28	90 Å²	90	23%	0.231	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	133.7	-177.7	0	0	0	0	0	111.4	W881 R894 R895 E919	W881-A921 HydrophobicContact CH2-CB 3.9Å; W881-A921 VanDerWaalsContact CZ3-O 3.28Å; W881-A921 WeakPolarHBondContact CZ3-O 3.03Å; R894-A921 CarbonylContact C-O 3.44Å; R894-A921 WeakPolarHBondContact CA-O 3.32Å; R895-A921 HydrophobicContact CG-CB 4.07Å; R895-A921 PolarHBondContact N-O 3.19Å; E919-A921 PolarHBondContact O-N 3.11Å
922	S	79.6	Confident	76.2	Confident	66 Å²	66	89.9 Å²	89.9	46%	0.462	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	164.3	158.4	90	0	0	0	0	111	E892 R893	E892-S922 WeakPolarHBondContact OE1-CB 3.26Å; E892-S922 PolarHBondContact OE1-OG 3.37Å; R893-S922 CarbonylContact O-C 3.59Å; R893-S922 WeakPolarHBondContact O-CA 3.33Å
923	G	79.5	Confident	76	Confident	23 Å²	23	94.3 Å²	94.3	24%	0.237	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	153.2	177.7	0	0	0	0	0	112	R893	R893-G923 VanDerWaalsContact CG-O 3.25Å; R893-G923 WeakPolarHBondContact CG-O 3.16Å; R893-G923 PolarHBondContact N-O 3.47Å; R893-G923 PolarHBondContact O-N 2.65Å
924	Q	80.9	Confident	75.9	Confident	135 Å²	135	96.4 Å²	96.4	63%	0.631	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-67.8	152.4	179	-69.4	178.1	-15.3	0	0	112	G891 R893	G891-Q924 WeakPolarHBondContact O-CA 3.49Å; R893-Q924 PolarHBondContact NE-O 3.25Å
925	C	82.4	Confident	75.8	Confident	16 Å²	16	96.5 Å²	96.5	11%	0.108	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	153.1	174.8	51.6	0	0	0	0	110	C884 G891 R893	C884-C925 WeakPolarHBondContact CA-SG 3.29Å; C884-C925 HydrophobicContact CB-CB 3.84Å; C884-C925 WeakPolarHBondContact CB-SG 3.37Å; C884-C925 WeakPolarHBondContact SG-CB 3.3Å; C884-C925 PolarHBondContact SG-O 2.92Å; C884-C925 CovalentContact SG-SG 2.03Å; C884-C925 PolarHBondContact SG-SG 3.3Å; G891-C925 CarbonylContact C-O 3.55Å; G891-C925 WeakPolarHBondContact CA-O 3.33Å; G891-C925 PolarHBondContact N-O 3.28Å; G891-C925 PolarHBondContact O-N 3.29Å; G891-C925 VanDerWaalsContact O-O 3.14Å; R893-C925 HydrophobicContact CG-CB 3.93Å; R893-C925 PolarHBondContact N-SG 3.04Å
926	N	72.4	Confident	75.8	Confident	60 Å²	60	93.5 Å²	93.5	32%	0.321	53%	0.533	S	S	.	.			trans	59	121.3	-175	-64.3	-21	0	0	0	114.4	R886 T887 G889 Q890	R886-N926 PolarHBondContact O-ND2 3.03Å; T887-N926 PolarHBondContact O-ND2 3.11Å; G889-N926 CarbonylContact C-O 3.5Å; G889-N926 CarbonylContact O-C 3.53Å; G889-N926 WeakPolarHBondContact O-CB 3.31Å; Q890-N926 WeakPolarHBondContact CA-O 3.28Å
927	N	65.9	Low	75.7	Confident	127 Å²	127	90.3 Å²	90.3	68%	0.679	53%	0.528	S	S	*	.			trans	-136.1	27.4	-179	-82	-19.1	0	0	0	110.8
928	H	73.3	Confident	75.2	Confident	101 Å²	101	91.9 Å²	91.9	47%	0.468	54%	0.536	S	S	.	.	S	Bend	trans	-105.5	140.1	171.4	66.1	-94.7	0	0	0	108.5	T887 C888 G889	T887-H928 PolarHBondContact O-CE1 2.99Å; T887-H928 PolarHBondContact O-NE2 2.72Å; C888-H928 WeakPolarHBondContact CA-NE2 3.44Å; C888-H928 WeakPolarHBondContact CB-NE2 3.2Å; G889-H928 WeakPolarHBondContact CA-O 3.44Å; G889-H928 PolarHBondContact N-O 3.1Å
929	D	70.9	Confident	74.8	Confident	148 Å²	148	95.8 Å²	95.8	79%	0.791	56%	0.557	S	S	*	*			trans	-67.5	151.3	-175.9	-61.8	-57.3	0	0	0	112.3
930	C	75.4	Confident	74.7	Confident	78 Å²	78	89.1 Å²	89.1	53%	0.527	54%	0.535	S	S	.	.			trans	-78.8	129.3	169.8	-64.5	0	0	0	0	109.6	C888	C888-C930 HydrophobicContact CB-CB 4Å; C888-C930 WeakPolarHBondContact CB-SG 3.43Å; C888-C930 PolarHBondContact O-SG 3.33Å; C888-C930 VanDerWaalsContact SG-CA 3.53Å; C888-C930 WeakPolarHBondContact SG-CB 3.45Å; C888-C930 CovalentContact SG-SG 2.04Å; C888-C930 PolarHBondContact SG-SG 2.73Å
931	S	70.3	Confident	75.1	Confident	192 Å²	192	88.5 Å²	88.5	100%	1.343	53%	0.527	S	S	*	.			trans	-88.5	0	178.2	61.3	0	0	0	0	113.1

Retrieved 931 of 931 residues in 891.7 ms (Link to these results)

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